# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-04T23:48:35+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2015 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1517271","27.3936","0.0007","39.1227","0.001","41.964","0.003","90","","107.152","0.008","90","","42973","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C371 H328 B16 Co8 F64 N72 O26 -","- C371 H315 B8 Co8 F32 N72 O26 -","- C1484 H1260 B32 Co32 F128 N288 O104 -","4","0.5","","Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D.","pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules","Chem. Sci.","2015","6","1","625","","10.1039/C4SC02090A","","","0.71075","MoKα","","0.226","0.163","","","0.4367","0.4692","","","","","","1.437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517459","12.731","0.002","15.301","0.003","13.247","0.002","90","","109.038","0.003","90","","2439.3","0.7","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","compound 4a","","","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C46 H44 Cl2 F6 N O7 P3 Ru S2 -","- C92 H88 Cl4 F12 N2 O14 P6 Ru2 S4 -","2","1","","Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter","Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis","Chem. Sci.","2015","6","1","693","","10.1039/C4SC02087A","","","0.71073","MoKα","","0.0838","0.0571","","","0.1098","0.1212","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517514","13.8831","0.0007","9.8745","0.0005","9.719","0.0006","90","","94.232","0.005","90","","1328.73","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tc(benzol)2]PF6","","","- C12 H12 F6 P Tc -","- C12 H12 F6 P Tc -","- C48 H48 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0527","0.0317","","","0.0757","0.0904","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517515","7.7559","0.0008","11.003","0.0008","8.9353","0.0008","90","","98.474","0.009","90","","754.2","0.12","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(toluene)2]PF6","","","- C14 H16 F6 P Tc -","- C14 H16 F6 P Tc -","- C28 H32 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0609","0.0408","","","0.0876","0.0981","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517516","9.2697","0.0005","13.0695","0.0016","15.815","0.006","90","","90","","90","","1916","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tc(mesitylene)2]PF6","","","- C18 H24 F6 P Tc -","- C18 H24 F6 P Tc -","- C72 H96 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0372","0.0336","","","0.0615","0.0642","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517517","8.7563","0.0006","12.1899","0.0011","9.5187","0.0015","90","","108.089","0.01","90","","965.8","0.2","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tc(teralin)2]PF6","","","- C20 H24 F6 P Tc -","- C20 H24 F6 P Tc -","- C40 H48 F12 P2 Tc2 -","2","0.5","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0455","0.0378","","","0.0986","0.1065","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517518","8.8724","0.0003","23.5963","0.0007","9.6318","0.0003","90","","96.888","0.003","90","","2001.92","0.11","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H49 Al Cl7 N7 O7 Tc -","- C21 H49 Al Cl7 N7 O7 Tc -","- C42 H98 Al2 Cl14 N14 O14 Tc2 -","2","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0341","0.0305","","","0.0651","0.0674","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517671","15.5436","0.0006","8.7069","0.0003","12.5382","0.0003","90","","92.769","0.001","90","","1694.9","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R.","Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck‒Suzuki reaction","Chem. Sci.","2015","6","1","390","","10.1039/C4SC02547D","","","0.71073","MoKα","","0.0782","0.0423","","","0.0945","0.1012","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517679","7.9704","0.0006","9.6387","0.0007","26.395","0.002","90","","98.556","0.004","90","","2005.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B2 F8 N4 -","- C18 H18 B2 F8 N4 -","- C72 H72 B8 F32 N16 -","4","1","","Jo, Hyun Hwa; Edupuganti, Ramakrishna; You, Lei; Dalby, Kevin N.; Anslyn, Eric V.","Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","158","164","10.1039/C4SC02495H","","","0.71073","MoKα","","0.0746","0.0482","","","0.1119","0.1281","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517680","13.528","0.003","20.05","0.004","18.26","0.004","90","","107.1","0.03","90","","4733.8","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C39 H36 Ag3 F9 N12 O9.5 S3 -","- C156 H144 Ag12 F36 N48 O38 S12 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.710747","MoKα","","0.0599","0.0529","","","0.1083","0.1131","","","","","","1.095","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517681","10.57","0.002","21.277","0.004","23.103","0.005","90","","90","","90","","5195.8","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Ag5 F9 N12 O10 S4 -","- C40 H36 Ag5 F9 N12 O10 S4 -","- C160 H144 Ag20 F36 N48 O40 S16 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1517","0.1363","","","0.3604","0.3768","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517682","23.725","0.005","19.387","0.004","18.732","0.004","90","","90.71","0.03","90","","8615","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Ag5 F9 N24 O9 S4 -","- C75 H72 Ag5 F9 N24 O9 S4 -","- C300 H288 Ag20 F36 N96 O36 S16 -","4","0.5","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1356","0.1143","","","0.206","0.2169","","","","","","1.236","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517683","12.772","0.003","35.464","0.007","25.664","0.005","90","","90","","90","","11624","4","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C40 H36 Ag6 F10.5 N12 O16 S4.5 -","- C320 H288 Ag48 F84 N96 O128 S36 -","8","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1315","0.1258","","","0.3468","0.3558","","","","","","1.154","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517789","13.7149","0.0012","15.9855","0.0013","20.8687","0.0017","103.455","0.001","105.879","0.001","93.251","0.002","4244.3","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H54 O6 -","- C51 H54 O6 -","- C204 H216 O24 -","4","2","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.1063","0.0557","","","0.1635","0.2363","","","","","","0.972","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517790","11.5532","0.0019","30.664","0.005","7.71","0.0013","90","","90.771","0.003","90","","2731.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 O8 -","- C68 H72 O8 -","- C136 H144 O16 -","2","0.5","","Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju","Biphen[n]arenes","Chem. Sci.","2015","6","1","197","","10.1039/C4SC02422B","","","0.71073","MoKα","","0.0795","0.055","","","0.1501","0.1635","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517812","10.4178","0.0012","12.0725","0.0014","13.2955","0.0016","90.683","0.002","110.55","0.002","96.916","0.002","1551.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl Co N4 O7 -","- C33 H30 Cl Co N4 O7 -","- C66 H60 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0708","0.0512","","","0.1486","0.17","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517813","12.326","0.0015","12.7391","0.0015","13.0205","0.0016","62.534","0.002","82.794","0.002","79.008","0.002","1779.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H33 Br Cl Co N4 O7 -","- C35 H33 Br Cl Co N4 O7 -","- C70 H66 Br2 Cl2 Co2 N8 O14 -","2","1","","Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang","Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts","Catal. Sci. Technol.","2015","5","1","562","","10.1039/C4CY01064G","","","0.71073","MoKα","","0.0923","0.0553","","","0.1547","0.1834","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517834","11.641","0.0008","8.7512","0.0006","14.7356","0.001","90","","92.598","0.001","90","","1499.61","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.0544","0.0453","","","0.1115","0.1191","","","","","","1.072","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1517835","22.782","0.002","7.5608","0.0008","26.996","0.003","90","","102.942","0.001","90","","4531.9","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20.5 Cl N6.5 O7 Zn -","- C19 H20.5 Cl N6.5 O7 Zn -","- C152 H164 Cl8 N52 O56 Zn8 -","8","1","","Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan","Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch","Chem. Sci.","2015","6","1","209","","10.1039/C4SC02882A","","x-ray","0.71073","MoKα","","0.1222","0.0678","","","0.1595","0.1888","","","","","","1.023","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517851","21.073","0.006","7.448","0.002","23.393","0.006","90","","90","","90","","3671.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.0782","0.0454","","","0.1009","0.1156","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517852","16.833","0.002","19.112","0.002","30.84","0.004","90","","101.398","0.001","90","","9726","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111 H92 Co4 N16 O16 -","- C111 H92 Co4 N16 O16 -","- C444 H368 Co16 N64 O64 -","4","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.059","0.0551","","","0.1732","0.1774","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517853","18.4101","0.0007","17.6277","0.0007","30.4003","0.0012","90","","106.78","0.002","90","","9445.7","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H158 B2 Co8 F8 N24 Na4 O34 -","- C179 H137 B2 Co8 F8 N21 Na4 O34 -","- C358 H274 B4 Co16 F16 N42 Na8 O68 -","2","0.5","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.71073","MoKα","","0.1048","0.0895","","","0.263","0.2755","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517854","14.4228","0.0002","14.8678","0.0005","15.4212","0.0009","112.831","0.003","96.488","0.004","108.933","0.002","2772.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H87 N O7 S U -","- C62 H87 N O7 S U -","- C124 H174 N2 O14 S2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0261","0.0189","","","0.045","0.0492","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517855","16.827","0.001","17.007","0.001","19.804","0.002","88.022","0.003","80.746","0.003","82.903","0.003","5550.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H83 N O5 Se U -","- C64 H83 N O5 Se U -","- C256 H332 N4 O20 Se4 U4 -","4","2","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0463","0.0354","","","0.0813","0.0867","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517856","11.2439","0.0015","12.9994","0.0017","18.636","0.003","102.273","0.004","101.519","0.004","100.806","0.004","2531.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H77 N O5 Te U -","- C58 H77 N O5 Te U -","- C116 H154 N2 O10 Te2 U2 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0215","0.0205","","","0.0514","0.0518","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517857","11.1756","0.0016","16.817","0.002","28.662","0.004","85.233","0.005","87.451","0.005","88.366","0.005","5361.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124.5 H154.5 N2 O6 S2 U2 -","- C124.5 H154.5 N2 O6 S2 U2 -","- C249 H309 N4 O12 S4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0321","0.0257","","","0.0608","0.0629","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517858","11.217","0.002","16.815","0.003","28.68","0.003","85.324","0.009","87.434","0.009","88.412","0.016","5384.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H156 N2 O6 Se2 U2 -","- C126 H156 N2 O6 Se2 U2 -","- C252 H312 N4 O12 Se4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.0489","0.0335","","","0.0656","0.0701","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517859","16.773","0.0006","16.923","0.0016","25.039","0.003","105.196","0.006","102.968","0.007","101.507","0.007","6426.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H179.5 N2 O6.35 Te2 U2 -","- C150 H179.5 N2 O6.35 Te2 U2 -","- C300 H359 N4 O12.7 Te4 U4 -","2","1","","Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes","Chem. Sci.","2015","6","1","275","","10.1039/C4SC02602K","","","0.71073","MoKα","","0.055","0.036","","","0.075","0.0839","","","","","","1.165","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517870","11.7956","0.0012","12.394","0.0012","13.9527","0.0014","85.713","0.005","81.671","0.006","80.615","0.005","1988.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Cl N Rh -","- C21 H26 Cl N Rh -","- C84 H104 Cl4 N4 Rh4 -","4","2","","Hyster, Todd K.; Dalton, Derek M.; Rovis, Tomislav","Ligand Design for Rh(III)-Catalyzed C-H Activation: An Unsymmetrical Cyclopentadienyl Enables a Regioselective Synthesis of Dihydroisoquinolones.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","254","258","10.1039/C4SC02590C","","","0.71073","MoKα","","0.1003","0.0519","","","0.1073","0.1324","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517871","11.733","0.0002","12.1852","0.0002","13.1641","0.0002","85.129","0.001","80.243","0.001","74.103","0.002","1782.43","0.05","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C29 H17 Cl2 F12 Fe Hg3 P5 -","- C58 H34 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0223","0.017","","","0.0307","0.0311","","","","","","0.897","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517872","11.9982","0.0002","13.3448","0.0002","14.1016","0.0002","65.329","0.001","78.072","0.001","66.415","0.002","1878.24","0.06","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C29 H17 As5 Cl2 F12 Fe Hg3 -","- C58 H34 As10 Cl4 F24 Fe2 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0272","0.02","","","0.0394","0.04","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517873","11.4347","0.0001","23.4865","0.0002","15.1315","0.0001","90","","90","","90","","4063.73","0.06","123","1","123","1","","","","","","","see text","4","P n m a","-P 2ac 2n","62","","","","- C9 H13 Fe P5 -","- C9 H13 Fe P5 -","- C108 H156 Fe12 P60 -","12","1.5","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.0225","0.0213","","","0.0541","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517874","18.7588","0.0008","6.5778","0.0003","14.1509","0.0006","90","","90","","90","","1746.1","0.13","123","1","123","1","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","1.54178","CuKα","","0.051","0.0427","","","0.091","0.0929","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517875","9.0507","0.0001","25.602","0.0003","10.1648","0.0002","90","","115.783","0.002","90","","2120.87","0.06","123","1","123","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Fe P5 -","- C17 H29 Fe P5 -","- C68 H116 Fe4 P20 -","4","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0283","0.023","","","0.0609","0.0618","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517876","12.0744","0.0002","12.2486","0.0002","14.5238","0.0003","69.244","0.002","82.395","0.002","65.44","0.002","1826.58","0.07","123","1","123","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H21 F12 Fe Hg3 P5 -","- C31 H21 F12 Fe Hg3 P5 -","- C62 H42 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.023","0.0178","","","0.0344","0.0349","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517877","12.3145","0.0003","26.4751","0.0006","14.4338","0.0003","90","","107.168","0.002","90","","4496.14","0.18","123","1","123","1","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C36.5 H32 Cl3 F12 Fe Hg3 P5 -","- C146 H128 Cl12 F48 Fe4 Hg12 P20 -","4","2","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0295","0.0237","","","0.0384","0.0387","","","","","","0.86","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517878","48.2155","0.0011","14.138","0.0002","22.3159","0.0005","90","","109.887","0.002","90","","14304.9","0.5","123","1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H53 As15 F12 Fe3 Hg3 -","- C55 H53 As15 F12 Fe3 Hg3 -","- C440 H424 As120 F96 Fe24 Hg24 -","8","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0369","0.0267","","","0.053","0.0561","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517879","9.2776","0.0002","9.7199","0.0002","12.7689","0.0002","103.463","0.001","100.8","0.002","97.447","0.002","1081.75","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C19 H2 Cl2 F12 Hg3 -","- C19 H2 Cl2 F12 Hg3 -","- C38 H4 Cl4 F24 Hg6 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0382","0.0243","","","0.047","0.0485","","","","","","0.945","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517880","11.6373","0.0004","11.8015","0.0003","15.7005","0.0005","89.754","0.002","68.252","0.003","66.286","0.003","1806.94","0.12","123","1","123","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C28 H15 Cl2 F12 Fe Hg3 P5 -","- C56 H30 Cl4 F24 Fe2 Hg6 P10 -","2","1","","Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred","A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury","Chem. Sci.","2015","6","1","132","","10.1039/C4SC02353F","","x-ray","0.71073","MoKα","","0.0549","0.0353","","","0.0529","0.0548","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517881","9.0486","0.0005","12.7853","0.0007","14.6892","0.0008","84.024","0.002","74.906","0.002","69.739","0.002","1539.05","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F18 Li2 O2 -","- C26 H24 F18 Li2 O2 -","- C52 H48 F36 Li4 O4 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0557","0.0495","","","","0.1391","","","","","","1.0614","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517882","9.1239","0.0003","24.4308","0.0008","12.5042","0.0006","90","","97.114","0.001","90","","2765.78","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 B F18 -","- C28 H17 B F18 -","- C112 H68 B4 F72 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0593","0.0543","","","","0.1489","","","","","","1.0564","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517883","8.8391","0.0003","34.0268","0.0011","9.5807","0.0003","90","","100.72","0.001","90","","2831.26","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B N -","- C36 H36 B N -","- C144 H144 B4 N4 -","4","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.046","","","","0.1265","","","","","","1.0575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517884","23.5023","0.0011","23.5023","0.0011","25.182","0.0012","90","","90","","90","","13909.5","1.1","100","","100","","","","","","","","","5","I 41","I 4bw","80","","","","- C36 H18 B F18 N -","- C36 H18 B F18 N -","- C576 H288 B16 F288 N16 -","16","2","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","x-ray","0.71073","MoKα","K-L~3~","0.0852","0.0628","","","","0.1952","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517885","15.56","0.0011","8.7136","0.0006","35.624","0.003","90","","90","","90","","4830","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C192 H72 B8 F144 -","8","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","","0.71073","MoKα","","0.072","0.0479","","","0.1162","0.1297","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517889","5.7962","0.0003","29.2094","0.0014","15.6928","0.0008","90","","97.272","0.003","90","","2635.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","HM-II-156A-needles","tostediazene","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C120 H120 N12 O18 -","6","3","","Nelson, H. M.; Patel, J. S.; Shunatona, H. P.; Toste, F. D.","Enantioselective α-Amination Enabled by a BINAM-Derived Phase-Transfer Catalyst.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","1","170","173","10.1039/C4SC02494J","","","1.54178","CuKα","","0.0448","0.0431","","","0.111","0.1126","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1517951","30.5162","0.0006","30.5162","0.0006","71.022","0.002","90","","90","","120","","57278","2","298","","298","","","","","","","","","6","R -3","-R 3","148","","","","- C252 H276 Co4 F36 N48 P6 -","- C252 H276 Co4 F36 N48 P6 -","- C1512 H1656 Co24 F216 N288 P36 -","6","","","Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J.","Non-equilibrium cobalt(iii) “click” capsules","Chem. Sci.","2015","6","1","756","","10.1039/C4SC03036B","","x-ray","0.6889","","","0.1352","0.1218","","","0.3268","0.3455","","","","","","1.553","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517963","26.585","0.0003","24.926","0.0003","15.939","0.0003","90","","90","","90","","10562.1","0.3","293","2","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- F0.5 O32.5 Si16 -","- F0.5 O32.5 Si16 -","- F4 O260 Si128 -","8","0.5","","Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino","ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels","Chem. Sci.","2015","6","1","480","","10.1039/C4SC02577F","","","0.0197","Electron200kV","","0.3174","0.2892","","","0.5607","0.6068","","","","","","3.133","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517964","17.435","0.004","15.662","0.003","24.139","0.005","90","","90","","90","","6592","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl3(PPh3)ClPPh3","","","- C36 H30 Cl4 Ni P2 -","- C36 H30 Cl4 Ni P2 -","- C288 H240 Cl32 Ni8 P16 -","8","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0527","0.0327","","","0.0649","0.072","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517965","13.338","0.003","14.376","0.003","8.7454","0.0017","90","","102.53","0.03","90","","1637","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl2P(PPh3)3","","","- C18 H15 Cl2 P -","- C18 H15 Cl2 P -","- C72 H60 Cl8 P4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.033","0.0272","","","0.0677","0.071","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517966","11.255","0.002","9.1501","0.0018","18.658","0.004","90","","93.04","0.03","90","","1918.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ClPPh3OTf","","","- C19 H15 Cl F3 O3 P S -","- C19 H15 Cl F3 O3 P S -","- C76 H60 Cl4 F12 O12 P4 S4 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0425","0.0323","","","0.0697","0.0737","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517967","10.1261","0.0008","23.4579","0.0018","17.8192","0.0014","90","","106.355","0.0012","90","","4061.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl4(PPh2(THF)2)2","","","- C40 H48 Cl4 Ni O4 P2 -","- C40 H48 Cl4 Ni O4 P2 -","- C160 H192 Cl16 Ni4 O16 P8 -","4","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0789","0.0593","","","0.1234","0.1315","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517970","7.0801","0.0004","10.0993","0.0007","10.1771","0.0007","97.689","0.005","99.69","0.005","92.96","0.005","708.82","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Au Br2 N O -","- C12 H12 Au Br2 N O -","- C24 H24 Au2 Br4 N2 O2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","","0.71073","MoKα","","0.0714","0.0658","","","0.1853","0.1941","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517971","15.9554","0.0003","11.7205","0.0002","16.839","0.0004","90","","90","","90","","3148.98","0.11","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Au Br N -","- C18 H15 Au Br N -","- C144 H120 Au8 Br8 N8 -","8","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.0704","0.0677","","","0.167","0.1723","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517972","7.8572","0.0003","8.2744","0.0004","15.3789","0.0005","93.413","0.003","103.381","0.003","113.776","0.004","876.93","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Au Cl2 N -","- C18 H16 Au Cl2 N -","- C36 H32 Au2 Cl4 N2 -","2","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.041","0.0393","","","0.0976","0.1002","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517979","6.8436","0.0004","26.8023","0.0014","8.3932","0.0005","90","","90.9","0.0013","90","","1539.33","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-((1-(naphthalen-2-yl)ethyl)carbamoyl)picolinic acid","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0268","0.0255","","","0.0664","0.0673","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517980","6.8507","0.0004","26.777","0.0017","8.4103","0.0005","90","","90.84","0.002","90","","1542.63","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","0.71073","MoKα","","0.0338","0.0321","","","0.0857","0.087","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517981","5.4249","0.0002","16.5948","0.0006","11.417","0.0004","90","","98.277","0.002","90","","1017.11","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.0307","0.0306","","","0.0806","0.0808","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517982","5.4288","0.0002","16.6067","0.0006","11.4114","0.0004","90","","98.2867","0.0018","90","","1018.05","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.031","0.0309","","","0.0762","0.0763","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517983","26.0015","0.0012","26.4029","0.0011","30.8305","0.0011","90","","90","","90","","21165.6","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C57 H49.5 Eu N6 O11.5 -","- C57 H49.5 Eu N6 O11.5 -","- C912 H792 Eu16 N96 O184 -","16","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.1512","0.0834","","","0.2161","0.2618","","","","","","1.009","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517990","53.108","0.011","21.244","0.004","26.197","0.005","90","","98.53","0.03","90","","29229","10","95","0.2","95","0.2","","","","","","","","3","C 1 2 1","C 2y","5","C60_in_[4]CA","","","- C197.82 H137.82 Cl5.46 -","- C197.819 H137.819 Cl5.4585 -","- C1582.56 H1102.56 Cl43.668 -","8","2","","Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki","Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures","Chem. Sci.","2015","6","2","909","","10.1039/C4SC02812K","","","0.96","synchrotron","","0.1605","0.142","","","0.3558","0.3849","","","","","","1.5","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518019","25.2527","0.0004","13.9068","0.0002","24.7327","0.0005","90","","90","","90","","8685.7","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H66 Al Cl5 P2 Pb Pt -","- C36 H66 Al Cl5 P2 Pb Pt -","- C288 H528 Al8 Cl40 P16 Pb8 Pt8 -","8","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0444","0.038","","","0.08","0.0821","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518020","10.5092","0.0006","15.3892","0.001","20.0776","0.0012","109.785","0.002","90.439","0.002","90.796","0.002","3054.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","- C120 H156 B2 Cl18 P4 Pb2 Pt2 -","1","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0275","0.0209","","","0.0435","0.0454","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518021","13.381","0.004","13.612","0.004","13.987","0.003","92.698","0.01","111.864","0.013","101.984","0.01","2291","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H66 Al Cl4 I P2 Pb Pt -","- C36 H66 Al Cl4 I P2 Pb Pt -","- C72 H132 Al2 Cl8 I2 P4 Pb2 Pt2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0575","0.0507","","","0.1397","0.1442","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518022","20.719","0.002","10.6901","0.0009","23.859","0.002","90","","111.311","0.004","90","","4923.1","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C36 H66 Al2 Cl8 P2 Pb Pt -","- C144 H264 Al8 Cl32 P8 Pb4 Pt4 -","4","0.5","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0265","0.0213","","","0.0417","0.0431","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518023","13.9687","0.0007","14.2448","0.0007","21.1628","0.0015","96.439","0.002","101.9","0.002","114.878","0.002","3643.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H132 Br2 P4 Pt2 Sn -","- C72 H132 Br2 P4 Pt2 Sn -","- C144 H264 Br4 P8 Pt4 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0612","0.0347","","","0.0659","0.0719","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518024","11.5394","0.0006","12.469","0.0007","17.7","0.001","105.191","0.002","100.053","0.002","107.994","0.002","2245.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 Al Br5 P2 Pt Sn -","- C36 H66 Al Br5 P2 Pt Sn -","- C72 H132 Al2 Br10 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0805","0.0824","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518025","13.5049","0.0008","15.4437","0.0009","15.6528","0.0008","82.203","0.002","78.913","0.002","85.651","0.002","3169.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 B Br Cl8 P2 Pt Sn -","- C60 H78 B Br Cl8 P2 Pt Sn -","- C120 H156 B2 Br2 Cl16 P4 Pt2 Sn2 -","2","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0477","0.0369","","","0.0805","0.0876","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518026","13.2989","0.0018","22.907","0.003","16.964","0.004","90","","99.008","0.007","90","","5104.1","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al2 Br8 P2 Pt Sn -","- C36 H66 Al2 Br8 P2 Pt Sn -","- C144 H264 Al8 Br32 P8 Pt4 Sn4 -","4","1","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0367","0.0285","","","0.0669","0.0693","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518027","15.687","0.003","20.715","0.004","21.567","0.003","75.297","0.009","82.231","0.008","78.538","0.011","6617","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H110 Br3 N O P2 Pt Sn -","- C56 H110 Br3 N O P2 Pt Sn -","- C224 H440 Br12 N4 O4 P8 Pt4 Sn4 -","4","2","","Braunschweig, Holger; Celik, Mehmet Ali; Dewhurst, Rian D.; Heid, Magdalena; Hupp, Florian; Sen, Sakya S.","Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum","Chem. Sci.","2015","6","1","425","","10.1039/C4SC02948H","","","0.71073","MoKα","","0.0307","0.0235","","","0.0545","0.0568","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518028","12.26","0.0008","12.5792","0.0008","15.8788","0.0011","75.171","0.001","71.664","0.001","67.768","0.001","2125.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C36 H49.5 Cl F12 Fe Li2 N O6 -","- C72 H99 Cl2 F24 Fe2 Li4 N2 O12 -","2","1","","Pascualini, M. E.; Di Russo, N. V.; Thuijs, A. E.; Ozarowski, A.; Stoian, S. A.; Abboud, K. A.; Christou, G.; Veige, A. S.","A high-spin square-planar Fe(ii) complex stabilized by a trianionic pincer-type ligand and conclusive evidence for retention of geometry and spin state in solution","Chem. Sci.","2015","6","1","608","","10.1039/C4SC02634A","","","0.71073","MoKα","","0.0954","0.08","","","0.2091","0.2251","","","","","","1.043","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518079","8.5406","0.0018","8.5891","0.0018","14.093","0.003","84.9","0.005","84.781","0.005","88.091","0.005","1025.1","0.4","293","2","143","2","","","","","","","","4","P -1","-P 1","2","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","Bis(pentafluoropheny)diselenium undecafluorodiarsenate","","- C12 As2 F21 Se2 -","- C12 As2 F21 Se2 -","- C24 As4 F42 Se4 -","2","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0421","0.0264","","","0.06","0.066","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518080","15.695","0.003","15.264","0.002","16.274","0.002","90","","93.45","0.01","90","","3891.7","1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 S2 -","- C48 H50 S2 -","- C192 H200 S8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.101","0.0609","","","0.1446","0.1663","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518081","16.17","0.003","15.837","0.003","17.339","0.004","90","","92.97","0.03","90","","4434.3","1.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 F6 S2 Sb -","- C48 H50 F6 S2 Sb -","- C192 H200 F24 S8 Sb4 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","x-ray","0.71073","MoKα","K-L~3~","0.1171","0.0543","","","0.098","0.1195","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518082","19.147","0.006","15.238","0.005","16.653","0.009","90","","90.08","0.03","90","","4859","3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Cl2 F6 Sb Se2 -","- C49 H52 Cl2 F6 Sb Se2 -","- C196 H208 Cl8 F24 Sb4 Se8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.1373","0.0705","","","0.1553","0.1879","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518083","19.854","0.005","14.726","0.003","17.178","0.009","90","","92.07","0.04","90","","5019","3","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H55 F6 N Sb Te2 -","- C51 H55 F6 N Sb Te2 -","- C204 H220 F24 N4 Sb4 Te8 -","4","0.5","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.0814","0.0523","","","0.1188","0.1346","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518084","12.029","0.004","12.276","0.006","14.44","0.007","90","","97.662","0.014","90","","2113.3","1.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 F21 S2 Sb2 -","- C12 F21 S2 Sb2 -","- C48 F84 S8 Sb8 -","4","1","","Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens","Diaryldichalcogenide radical cations","Chem. Sci.","2015","6","1","497","","10.1039/C4SC02964J","","","0.71073","MoKα","","0.082","0.0469","","","0.116","0.1395","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518097","11.6106","0.0003","17.2668","0.0006","18.6161","0.0004","113.198","0.002","95.475","0.002","105.211","0.001","3226","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C60 H78 Cl2 Ir N2 O6.5 P2 S2 -","- C120 H156 Cl4 Ir2 N4 O13 P4 S4 -","2","1","","Oldenhof, Sander; Lutz, Martin; de Bruin, Bas; Ivar van der Vlugt, Jarl; Reek, Joost N. H.","Dehydrogenation of formic acid by Ir‒bisMETAMORPhos complexes: experimental and computational insight into the role of a cooperative ligand","Chem. Sci.","2015","6","2","1027","","10.1039/C4SC02555E","","","0.71073","MoKα","","0.0293","0.0273","","","0.0777","0.0788","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518098","12.1231","0.001","12.9429","0.0011","17.2915","0.0014","95.734","0.002","108.021","0.002","113.144","0.0019","2295","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C120 H100 N4 O16 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0698","0.0464","","","0.1113","0.1258","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518099","12.6166","0.0015","16.35","0.002","16.738","0.002","87.227","0.002","75.478","0.003","67.501","0.003","3083.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H20 Cl F10 N -","- C38.5 H20 Cl F10 N -","- C154 H80 Cl4 F40 N4 -","4","2","","Berger, Reinhard; Wagner, Manfred; Feng, Xinliang; Müllen, Klaus","Polycyclic aromatic azomethine ylides: a unique entry to extended polycyclic heteroaromatics","Chem. Sci.","2015","6","1","436","","10.1039/C4SC02793K","","","0.71073","MoKα","","0.0809","0.0485","","","0.0984","0.1135","","","","","","1.013","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1518122","9.3571","0.001","16.7917","0.0012","17.242","0.002","90","","101.238","0.011","90","","2657.1","0.5","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Br O4 -","- C28 H39 Br O4 -","- C112 H156 Br4 O16 -","4","1","","Ghiggino, Kenneth P.; Tilley, Andrew J.; Robotham, Benjamin; White, Jonathan M.","Excited state dynamics of organic semi-conducting materials.","Faraday discussions","2015","177","","111","119","10.1039/c4fd00171k","","","1.5418","CuKα","","0.0963","0.0491","","","0.098","0.1067","","","","","","0.785","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518139","24.415","0.003","24.415","0.003","15.337","0.004","90","","90","","90","","9142","3","296","2","296","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- C40 H60 Cu3 K N8 O54 Ru Si W11 -","- C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04 -","- C160 H128 Cu12 K4 N32 O215.96 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.1156","0.0509","","","0.1256","0.1708","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518140","17.8663","0.0012","22.1923","0.0015","22.2835","0.0015","90","","90","","90","","8835.3","1","296","2","296","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C40 H58 Cu2 K N8 O52 Ru Si W11 -","- C40 H32 Cu2 K N8 O52 Ru0.96 Si W11.04 -","- C160 H128 Cu8 K4 N32 O208 Ru3.84 Si4 W44.16 -","4","0.5","","Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying","Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation","Chem. Sci.","2015","6","2","1035","","10.1039/C4SC02362E","","","0.71073","MoKα","","0.0971","0.0753","","","0.1918","0.2042","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518141","11.6434","0.0003","10.03245","0.00018","20.857","0.0004","90","","103.161","0.002","90","","2372.35","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-4-methyl-4-phenyl-4,5-dihydrooxazole","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Brachet, E.; Ghosh, T.; Ghosh, I.; König, B.","Visible light C‒H amidation of heteroarenes with benzoyl azides","Chem. Sci.","2015","6","2","987","","10.1039/C4SC02365J","","x-ray","1.54184","CuKα","","0.0412","0.0366","","","0.0975","0.1027","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518142","8.3156","0.0003","9.9732","0.0004","14.574","0.0005","90","","102.762","0.002","90","","1178.81","0.08","93.1","","93.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0467","","","","0.1212","","","","","","0.999","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518143","8.3745","0.0004","10.0838","0.0005","14.5833","0.0007","90","","103.496","0.003","90","","1197.51","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N2 O4 -","- C13 H9 N2 O4 -","- C52 H36 N8 O16 -","4","2","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0834","","","","0.21","","","","","","0.706","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518144","7.24677","0.00014","14.8112","0.0003","11.0943","0.0002","90","","99.3083","0.0012","90","","1175.11","0.04","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0414","","","","0.1031","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518145","7.1667","0.0004","5.2718","0.0003","15.7374","0.0009","90","","101.26","0.003","90","","583.14","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0354","","","","0.1047","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518146","7.1322","0.0004","5.2282","0.0003","15.7662","0.0009","90","","101.237","0.003","90","","576.63","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C26 H18 F2 N4 O8 -","2","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0501","","","","0.1089","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518147","6.56098","0.00012","13.5445","0.0003","13.6122","0.0003","90","","90","","90","","1209.65","0.04","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0271","","","","0.0692","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518148","16.026","0.003","8.7017","0.0015","17.485","0.003","90","","115.469","0.006","90","","2201.4","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H40 B4 N4 O6 -","- C12 H40 B4 N4 O6 -","- C48 H160 B16 N16 O24 -","4","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0752","0.0568","","","0.1214","0.1302","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518149","6.9419","0.0007","8.8077","0.0008","12.4471","0.0012","91.79","0.003","103.761","0.003","111.731","0.003","680.64","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H26 B4 N4 O2 -","- C4 H26 B4 N4 O2 -","- C8 H52 B8 N8 O4 -","2","1","","Kalviri, Hassan A.; Gärtner, Felix; Ye, Gang; Korobkov, Ilia; Baker, R. Tom","Probing the second dehydrogenation step in ammonia-borane dehydrocoupling: characterization and reactivity of the key intermediate, B-(cyclotriborazanyl)amine-borane","Chem. Sci.","2015","6","1","618","","10.1039/C4SC02710H","","","0.71073","MoKα","","0.0862","0.0637","","","0.1605","0.1753","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518154","14.5572","0.0008","13.9044","0.0008","24.0822","0.0014","90","","90","","90","","4874.5","0.5","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C22 H22.5 B Cl Cr F4 N4.5 O3 -","- C22 H17 B Cl Cr F4 N4.5 O3 -","- C176 H136 B8 Cl8 Cr8 F32 N36 O24 -","8","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0629","0.0502","","","0.1267","0.1357","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518155","9.683","0.004","22.83","0.008","11.317","0.004","90","","104.712","0.004","90","","2419.7","1.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 B2 Cr F8 N5 O2 -","- C21 H20 B2 Cr F8 N5 O2 -","- C84 H80 B8 Cr4 F32 N20 O8 -","4","1","","Kotani, Hiroaki; Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Formation and characterization of a reactive chromium(v)‒oxo complex: mechanistic insight into hydrogen-atom transfer reactions","Chem. Sci.","2015","6","2","945","","10.1039/C4SC02285H","","","0.71073","MoKα","","0.0732","0.0527","","","0.115","0.1233","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518167","12.1595","0.0008","12.7622","0.0008","22.2587","0.0014","100.93","0.0008","104.448","0.0008","95.5814","0.0008","3246.1","0.4","138","2","138","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 O6 Si6 Th -","- C51 H99 K N2 O6 Si6 Th -","- C102 H198 K2 N4 O12 Si12 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0361","0.0287","","","0.0594","0.0621","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518168","17.1884","0.0016","18.0161","0.0016","22.654","0.002","90","","99.6558","0.0011","90","","6915.8","1.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H103 K O8 Si6 Th -","- C53 H103 K O8 Si6 Th -","- C212 H412 K4 O32 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0511","0.0384","","","0.0921","0.0976","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518169","17.547","0.001","13.6955","0.0008","19.1293","0.0011","90","","112.595","0.0007","90","","4244.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H63 Si6 Th -","- C33 H63 Si6 Th -","- C132 H252 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.0275","0.0208","","","0.0455","0.0478","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518170","20.2007","0.0016","8.1694","0.0006","19.9544","0.0015","90","","91.3531","0.0009","90","","3292.1","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Si4 Th -","- C30 H50 Si4 Th -","- C120 H200 Si16 Th4 -","4","0.5","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1−anion containing thorium in the formal +2 oxidation state","Chem. Sci.","2015","6","1","517","","10.1039/C4SC03033H","","","0.71073","MoKα","","0.027","0.0261","","","0.0584","0.0586","","","","","","1.399","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518200","7.8497","0.0005","10.7861","0.0008","14.7876","0.001","109.56","0.003","91.8983","0.0018","111.312","0.003","1081.87","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","1","","Rijeesh, K.; Hashim, P. K.; Noro, Shin-ichiro; Tamaoki, Nobuyuki","Dynamic induction of enantiomeric excess from a prochiral azobenzene dimer under circularly polarized light","Chem. Sci.","2015","6","2","973","","10.1039/C4SC01993H","","","0.71075","MoKα","","","0.0503","","","","0.1454","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518209","9.1445","0.0019","7.8648","0.0016","15.71","0.003","90","","106.294","0.005","90","","1084.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Au Cl2 F N -","- C11 H7 Au Cl2 F N -","- C44 H28 Au4 Cl8 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0413","0.032","","","0.0882","0.0934","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518210","14.8527","0.0013","16.3867","0.0014","17.62","0.0015","90.156","0.001","91.414","0.001","114.256","0.001","3908.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Au F2 N -","- C24 H18 Au F2 N -","- C192 H144 Au8 F16 N8 -","8","4","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0406","0.0313","","","0.0748","0.079","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518211","9.334","0.0011","11.4331","0.0013","12.8416","0.0017","73.407","0.004","81.938","0.004","73.869","0.003","1258.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Au Cl2 F6 N -","- C27 H20 Au Cl2 F6 N -","- C54 H40 Au2 Cl4 F12 N2 -","2","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0752","0.0674","","","0.1648","0.1752","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518212","11.1263","0.0003","14.1527","0.0004","26.2319","0.0007","90","","90","","90","","4130.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Au N3 O4 -","- C24 H18 Au N3 O4 -","- C192 H144 Au8 N24 O32 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0382","0.0303","","","0.0573","0.0598","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518213","35.5669","0.0009","35.5669","0.0009","7.2973","0.0002","90","","90","","90","","9231.1","0.4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H20 Au N S2 -","- C27.9952 H19.997 Au N S1.9994 -","- C447.923 H319.952 Au16 N16 S31.9904 -","16","","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0349","0.0326","","","0.0639","0.0646","","","","","","1.399","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518214","7.5722","0.0007","16.2301","0.0014","16.7076","0.0018","90","","93.349","0.004","90","","2049.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Au N -","- C26 H24 Au N -","- C104 H96 Au4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0863","0.0693","","","0.1635","0.175","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518215","19.4071","0.0009","15.6565","0.0007","19.6251","0.0009","90","","112.078","0.001","90","","5525.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au N O2 -","- C30 H32 Au N O2 -","- C240 H256 Au8 N8 O16 -","8","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0488","0.0382","","","0.0784","0.0841","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518216","9.4066","0.001","13.227","0.0014","13.1786","0.0014","90","","110.251","0.002","90","","1538.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Au Cl F N -","- C18 H14 Au Cl F N -","- C72 H56 Au4 Cl4 F4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0376","0.0304","","","0.0719","0.075","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518217","10.34","0.002","18.881","0.004","9.579","0.002","90","","110.408","0.003","90","","1752.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Au Cl N -","- C22 H17 Au Cl N -","- C88 H68 Au4 Cl4 N4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0423","0.0311","","","0.0753","0.0812","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518218","22.3204","0.0012","11.4097","0.0005","7.0554","0.0003","90","","90","","90","","1796.79","0.15","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20.62 H17.23 Au Cl1.23 N O -","- C20.617 H17.234 Au Cl1.234 N O -","- C82.468 H68.936 Au4 Cl4.936 N4 O4 -","4","1","","Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)","Chem. Sci.","2015","6","2","981","","10.1039/C4SC02148G","","","0.71073","MoKα","","0.0336","0.0281","","","0.0623","0.0655","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518219","6.8071","0.0006","21.415","0.002","10.9248","0.001","90","","102.159","0.003","90","","1556.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br2 N2 O2 S2 -","- C34 H30 Br2 N2 O2 S2 -","- C68 H60 Br4 N4 O4 S4 -","2","0.5","","Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd","Electrochemical polymerization of 1,3,4,6-tetraarylpyrrolo[3,2-b]pyrrole-2,5-dione (isoDPP) derivatives","Polym. Chem.","2015","6","6","1005","","10.1039/C4PY01315H","","","0.71073","MoKα","","0.0741","0.0453","","","0.1102","0.1309","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518232","13.07527","0.00008","16.18867","0.0001","19.01027","0.00012","90","","100.1","0.0006","90","","3961.57","0.04","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F6 O4 -","- C48 H30 F6 O4 -","- C192 H120 F24 O16 -","4","0.5","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","1.5418","CuKα","","0.0506","0.0492","","0.0656","0.0647","0.0645","","","","","","0.9834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518233","12.5119","0.0017","12.6648","0.0017","14.9565","0.0019","70.805","0.005","66.621","0.005","67.665","0.005","1967.5","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H28 Cl2 F6 O2 -","- C47 H28 Cl2 F6 O2 -","- C94 H56 Cl4 F12 O4 -","2","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.1842","0.0672","","","0.1536","0.1983","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518234","12.8182","0.0016","35.815","0.005","9.7626","0.0014","90","","92.841","0.006","90","","4476.3","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H25 Cl3 F12 O2 -","- C49 H25 Cl3 F12 O2 -","- C196 H100 Cl12 F48 O8 -","4","1","","Rives, Arnaud; Baglai, Iaroslav; Barthes, Cécile; Maraval, Valérie; Saffon-Merceron, Nathalie; Saquet, Alix; Voitenko, Zoia; Volovenko, Yulian; Chauvin, Remi","Carbo-cyclohexadienes vs. carbo-benzenes: structure and conjugative properties","Chem. Sci.","2015","6","2","1139","","10.1039/C4SC02742F","","","0.71073","MoKα","","0.2077","0.0829","","","0.1877","0.2414","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518239","19.23","0.002","43.035","0.005","10.2776","0.0012","90","","90","","90","","8505.4","1.7","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H44 Cl6 Fe N4 -","- C42 H44 Cl6 Fe N4 -","- C336 H352 Cl48 Fe8 N32 -","8","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0355","0.0349","","","0.0921","0.0926","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518240","10.777","0.006","19.521","0.011","18.542","0.012","90","","103.339","0.012","90","","3796","4","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Fe N2 Si2 -","- C35 H54 Fe N2 Si2 -","- C140 H216 Fe4 N8 Si8 -","4","0.5","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0485","0.0462","","","0.1261","0.1287","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518241","7.6475","0.0008","12.4439","0.0012","15.3186","0.0015","102.743","0.002","95.406","0.002","101.351","0.002","1379.6","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","neikm03","","","- C6 H18 Cl2 Fe P2 -","- C6 H18 Cl2 Fe P2 -","- C24 H72 Cl8 Fe4 P8 -","4","2","","Fillman, Kathlyn L.; Przyojski, Jacob A.; Al-Afyouni, Malik H; Tonzetich, Zachary J.; Neidig, Michael L.","A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron(II)-N-heterocyclic carbene complexes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1178","1188","10.1039/c4sc02791d","","","0.71073","MoKα","","0.0563","0.0338","","","0.0767","0.087","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518242","13.919","0.006","19.144","0.009","28.616","0.011","90","","90","","90","","7625","6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H86 Cl6 N6 O8 Rh2 -","- C81 H86 Cl6 N6 O8 Rh2 -","- C324 H344 Cl24 N24 O32 Rh8 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0514","0.0358","","","0.0643","0.0682","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518243","13.1445","0.0005","13.6427","0.0006","22.5166","0.0008","90","","90","","90","","4037.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C156 H160 Cl8 F24 N16 O8 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0349","0.0287","","","0.056","0.0579","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518244","5.4571","0.0002","15.3289","0.0006","17.4084","0.0009","90","","90","","90","","1456.24","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0343","0.0291","","","0.0646","0.0666","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518245","10.1905","0.0005","11.5731","0.0006","17.4203","0.0008","90","","97.5045","0.0016","90","","2036.88","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","w234b","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0498","0.0381","","","0.1004","0.1143","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518246","17.7761","0.0006","22.9437","0.0008","13.1111","0.0004","90","","90","","90","","5347.4","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C51 H52 Cl4 F6 N4 O3 P Rh -","- C204 H208 Cl16 F24 N16 O12 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0422","0.0348","","","0.0849","0.0889","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518247","38.9286","0.0014","13.3583","0.0005","17.0015","0.0007","90","","111.479","0.0012","90","","8227.1","0.5","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl2 Ir N4 O3 -","- C47 H45 Cl1.999 Ir N4 O3 -","- C376 H360 Cl15.992 Ir8 N32 O24 -","8","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0462","0.0296","","","0.0587","0.0636","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518248","14.224","0.003","21.737","0.003","31.247","0.002","90","","90.83","0.01","90","","9660","3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 2","","","- C98 H110 B Cl2 F20 N6 Nb2 -","- C98 H110 B Cl2 F20 N6 Nb2 -","- C392 H440 B4 Cl8 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0658","0.0514","","","0.1321","0.1422","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518249","18.1669","0.0005","17.1279","0.0005","19.7092","0.0005","90","","90.559","0.001","90","","6132.4","0.3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 3","","","- C65 H66 B F20 N3 Nb O2 -","- C65 H66 B F20 N3 Nb O2 -","- C260 H264 B4 F80 N12 Nb4 O8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0458","0.0363","","","0.0946","0.1014","","","","","","1.03","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518250","20.744","0.002","20.888","0.002","22.683","0.003","90","","90.709","0.002","90","","9827.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex 4","","","- C95 H110 B Cl9 F20 N6 Nb2 -","- C95 H110 B Cl8 F20 N6 Nb2 -","- C380 H440 B4 Cl32 F80 N24 Nb8 -","4","1","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0288","0.0257","","","0.062","0.0646","","","","","","1.058","","","","has coordinates,has disorder","209529","2020-10-21","18:00:00",""
"1518251","15.2666","0.0006","16.9177","0.0006","25.577","0.001","90","","97.658","0.002","90","","6547","0.4","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","Complex 6","","","- C61 H60 B Cl0 F20 N4 Nb -","- C61 H60 B F20 N4 Nb -","- C244 H240 B4 F80 N16 Nb4 -","4","2","","Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John","Electron localization in a mixed-valence diniobium benzene complex","Chem. Sci.","2015","6","2","993","","10.1039/C4SC02705A","","","0.71073","MoKα","","0.0569","0.0428","","","0.093","0.1007","","","","","","0.984","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518252","24.287","0.003","8.1945","0.0005","20.396","0.0018","90","","120.269","0.013","90","","3505.8","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B2 Cl6 Fe N8 O6 -","- C24 H28 B2 Cl6 Fe N8 O6 -","- C96 H112 B8 Cl24 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.0735","0.061","","","0.1593","0.1741","","","","","","0.796","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518253","10.435","0.007","12.522","0.006","14.568","0.008","110.05","0.02","98.25","0.03","92.93","0.04","1759.4","1.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H44 B2 Fe N8 O9 -","- C31 H44 B2 Fe N8 O9 -","- C62 H88 B4 Fe2 N16 O18 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.1129","0.0741","","","0.1923","0.2164","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518254","77.1812","0.0001","77.1812","0.0001","77.1812","0.0001","90","","90","","90","","459764","1","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C270 H327 B29.5 F22 Fe12 N96 O73.5 Pd6 -","- C8640 H10464 B944 F704 Fe384 N3072 O2352 Pd192 -","32","0.333333","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0829","0.081","","","0.2584","0.2646","","","","","","1.3","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518255","24.07","0.005","25.09","0.005","26.26","0.005","111.25","0.03","101.84","0.03","110.6","0.03","12790","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C193 H230 B12 Fe6 N59 O53 Pd3 -","- C386 H460 B24 Fe12 N118 O106 Pd6 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.715","synchrotron","","0.0593","0.0557","","","0.16","0.169","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518256","37.76","0.02","37.914","0.015","49.64","0.03","109.87","0.03","111.57","0.04","90.72","0.04","61382","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6 -","- C1814 H1907 B135 F36 Fe48 N403 O334 Pd24 -","4","2","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","0.71073","MoKα","","0.2907","0.167","","","0.3795","0.4645","","","","","","1.394","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1518257","26.3697","0.0006","37.7311","0.0009","41.401","0.0016","113.826","0.003","96.68","0.002","90.021","0.002","37375","2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C350 H400 B24 Fe12 N105 O99 Pd6 -","- C700 H800 B48 Fe24 N210 O198 Pd12 -","2","1","","Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay","Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups","Chem. Sci.","2015","6","2","1004","","10.1039/C4SC03046J","","","1.54178","CuKα","","0.15","0.1105","","","0.3243","0.3519","","","","","","1.299","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518275","7.0592","0.0002","9.6718","0.0003","18.5618","0.0006","90","","91.179","0.002","90","","1267.04","0.07","228","2","228","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0408","0.0383","","","0.1005","0.1025","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518276","6.7037","0.0001","10.0938","0.0002","9.5452","0.0002","90","","108.132","0.001","90","","613.81","0.02","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C24 H28 O8 S2 -","2","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0341","0.0324","","","0.0785","0.0796","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518277","7.7539","0.0003","8.4364","0.0003","22.2865","0.0006","90","","90","","90","","1457.87","0.09","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl2 F O4 S -","- C12 H11 Cl2 F O4 S -","- C48 H44 Cl8 F4 O16 S4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0507","0.0417","","","0.0979","0.1036","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518278","11.5572","0.0006","15.5085","0.0008","20.8957","0.001","90","","94.733","0.005","90","","3732.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide","","- C20 H20 N2 O3 S -","- C20 H20 N2 O3 S -","- C160 H160 N16 O24 S8 -","8","1","","Zhou, Ai-Hua; He, Qiao; Shu, Chao; Yu, Yong-Fei; Liu, Shuang; Zhao, Tian; Zhang, Wei; Lu, Xin; Ye, Long-Wu","Atom-economic generation of gold carbenes: gold-catalyzed formal [3+2] cycloaddition between ynamides and isoxazoles","Chem. Sci.","2015","6","2","1265","","10.1039/C4SC02596B","","","0.71073","MoKα","","0.0562","0.045","","","0.1283","0.1399","","","","","","0.704","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518279","7.58","0.0001","13.2149","0.0001","18.5282","0.0001","90","","90","","90","","1855.95","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido","Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides","Chem. Sci.","2015","6","2","1252","","10.1039/C4SC02612H","","","1.54178","CuKα","","0.0402","0.0354","","","0.0789","0.0822","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518280","7.6482","0.0012","7.4766","0.0011","10.4304","0.0016","90","","102.535","0.006","90","","582.22","0.15","173","2","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-dipropargyloxymethyl-1,4-dioxane-2,5-dione","","- C12 H12 O6 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Zhang, Quanxuan; Ren, Hong; Baker, Gregory L.","Synthesis and click chemistry of a new class of biodegradable polylactide towards tunable thermo-responsive biomaterials.","Polymer chemistry","2015","6","8","1275","1285","10.1039/C4PY01425A","","","1.54178","CuKα","","0.0397","0.0342","","","0.0825","0.0991","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518308","13.811","0.003","18.252","0.004","20.803","0.004","84.81","0.03","82.76","0.03","72.33","0.03","4949","2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H64 F24 N14 P4 Ru2 -","- C90 H64 F24 N14 P4 Ru2 -","- C180 H128 F48 N28 P8 Ru4 -","2","1","","Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian","Tuning of resistive memory switching in electropolymerized metallopolymeric films","Chem. Sci.","2015","6","2","1308","","10.1039/C4SC03345K","","","0.71073","MoKα","","0.1588","0.1354","","","0.3591","0.3829","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518309","23.446","0.01","9.956","0.004","19.018","0.008","90","","98.983","0.005","90","","4385","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Co3 N2 O14 P2 -","- C12 H26 Co3 N2 O14 P2 -","- C96 H208 Co24 N16 O112 P16 -","8","1","","Zhou, Tianhua; Wang, Danping; Chun-Kiat Goh, Simon; Hong, Jindui; Han, Jianyu; Mao, Jianggao; Xu, Rong","Bio-inspired organic cobalt(ii) phosphonates toward water oxidation","Energy Environ. Sci.","2015","8","2","526","","10.1039/C4EE03234A","","","0.71073","MoKα","","0.0647","0.0462","","","0.0939","0.1047","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518310","13.4109","0.0002","16.2568","0.0004","27.9028","0.0006","90","","98.984","0.002","90","","6008.7","0.2","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H28 Ba3 O26 -","- C12 Ba3 O26 -","- C96 Ba24 O208 -","8","1","","Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca","The many roles of mellitic acid during barium sulfate crystallization.","Faraday discussions","2015","179","","343","357","10.1039/c4fd00211c","","","0.71073","MoKα","","0.1026","0.0611","","","0.1561","0.1681","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518313","24.007","0.0011","14.6606","0.0012","26.57","0.0012","90","","92.563","0.004","90","","9342.1","1","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H68 F24 N26 O2 P4 Ru2 -","- C72 H68 F24 N26 O2 P4 Ru2 -","- C288 H272 F96 N104 O8 P16 Ru8 -","4","0.5","","Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D.","Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate ""click"" pyridyl-1,2,3-triazole ligand","Inorganica Chimica Acta","2015","425","","1","6","10.1016/j.ica.2014.10.011","","","1.5418","CuKα","","0.1439","0.0958","","","0.2509","0.2875","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518314","7.3532","0.0015","15.123","0.003","15.554","0.003","90","","103.11","0.03","90","","1684.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cd N2 O4 -","- C18 H17 Cd N2 O4 -","- C72 H68 Cd4 N8 O16 -","4","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0571","0.0483","","","0.0882","0.0924","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518315","17.061","0.0004","14.6879","0.0003","22.0163","0.0005","90","","90","","90","","5517.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cd N4 O5 -","- C29 H34 Cd N4 O5 -","- C232 H272 Cd8 N32 O40 -","8","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0661","0.033","","","0.0696","0.0825","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518316","15.69","0.003","9.0941","0.0014","21.264","0.003","90","","101.23","0.003","90","","2976","0.8","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H66 Cd2 N8 O11 -","- C56 H66 Cd2 N8 O11 -","- C112 H132 Cd4 N16 O22 -","2","0.5","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0852","0.0473","","","0.1373","0.1572","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518317","7.7525","0.0011","12.7608","0.0019","13.0438","0.0018","71.42","0.002","82.875","0.002","74.766","0.002","1179","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cd N2 O5 -","- C24 H32 Cd N2 O5 -","- C48 H64 Cd2 N4 O10 -","2","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0653","0.0508","","","0.1362","0.1447","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518318","11.4475","0.0008","11.593","0.0008","13.3747","0.001","76.497","0.001","78.592","0.001","64.39","0.001","1546.82","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Cd N4 O6 -","- C26 H38 Cd N4 O6 -","- C52 H76 Cd2 N8 O12 -","2","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0717","0.0555","","","0.1625","0.1806","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518319","7.0184","0.0004","10.3158","0.0004","10.6545","0.0005","90","","107.051","0.006","90","","737.48","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cd Cl N2 O3 -","- C4 H5 Cd Cl N2 O3 -","- C16 H20 Cd4 Cl4 N8 O12 -","4","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0214","0.0188","","","0.0442","0.0455","","","","","","1.005","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518320","15.0658","0.0005","13.145","0.0003","15.5206","0.0005","90","","112.932","0.004","90","","2830.78","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Cd Cl N6 O6 -","- C28 H19 Cd Cl N6 O6 -","- C112 H76 Cd4 Cl4 N24 O24 -","4","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0812","0.0571","","","0.1602","0.1872","","","","","","1.017","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518321","8.8834","0.0006","9.2233","0.0005","9.4907","0.0008","95.785","0.006","100.198","0.006","101.908","0.005","741.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N8 O8 Zn2 -","- C28 H28 N8 O8 Zn2 -","- C28 H28 N8 O8 Zn2 -","1","0.5","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0329","0.0278","","","0.0707","0.0744","","","","","","1.002","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518322","11.4611","0.0008","8.8278","0.0006","28.757","0.002","90","","90","","90","","2909.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C128 H136 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1201","0.0569","","","0.114","0.1427","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518323","26.243","0.011","10.56","0.003","13.89","0.004","90","","119.44","0.04","90","","3352","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C152 H168 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1709","0.0582","","","0.1023","0.1615","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518324","20.213","0.018","11.155","0.006","13.117","0.003","90","","90","","90","","2958","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H32 Mn N6 O4 -","- C32 H32 Mn N6 O4 -","- C128 H128 Mn4 N24 O16 -","4","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.3836","0.1061","","","0.1288","0.2295","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518325","10.1639","0.0004","9.6526","0.0003","18.9701","0.0006","90","","91.74","0.003","90","","1860.26","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cu N3 O3 S -","- C18 H21 Cu N3 O3 S -","- C72 H84 Cu4 N12 O12 S4 -","4","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.0771","0.0473","","","0.0975","0.1097","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518326","9.004","0.005","13.522","0.005","17.296","0.005","79.133","0.005","75.504","0.005","71.182","0.005","1916.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 N3 O3 S Zn -","- C18 H21 N3 O3 S Zn -","- C72 H84 N12 O12 S4 Zn4 -","4","2","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.2708","0.1403","","","0.3148","0.4062","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518327","8.06","0.0012","14.0316","0.0018","13.4153","0.0017","90","","97.456","0.016","90","","1504.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-azpy)2(NO2)2]","","","- C10 H8 N10 O4 Zn -","- C10 H8 N10 O4 Zn -","- C40 H32 N40 O16 Zn4 -","4","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0377","0.0349","","","0.0902","0.0918","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518328","5.5546","0.0011","9.0633","0.0018","15.527","0.003","74.72","0.02","80.86","0.02","78.21","0.02","733.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Zn(4-azpy)2(NCO)2]","","","- C12 H8 N10 O2 Zn -","- C12 H8 N10 O2 Zn -","- C24 H16 N20 O4 Zn2 -","2","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0759","0.0639","","","0.1293","0.1337","","","","","","1.2","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518329","8.1876","0.0004","8.2228","0.0004","11.8147","0.0006","109.876","0.002","91.188","0.002","98.745","0.002","737.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Zn(N3)2(4-azpy)2]n","","","- C10 H8 N14 Zn -","- C10 H8 N14 Zn -","- C20 H16 N28 Zn2 -","2","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0266","0.0226","","","0.0505","0.0515","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518330","19.0082","0.0005","7.8756","0.0002","20.9499","0.0006","90","","115.916","0.001","90","","2820.83","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-azpy)4(NCS)2]","","","- C22 H16 N18 S2 Zn -","- C22 H16 N18 S2 Zn -","- C88 H64 N72 S8 Zn4 -","4","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.1019","0.0556","","","0.1474","0.1626","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518331","8.2464","0.0007","12.5278","0.0009","9.1307","0.0007","90","","104.737","0.009","90","","912.26","0.13","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C5 H8 Ag Br2 N2 -","- C5 H8 Ag Br2 N2 -","- C20 H32 Ag4 Br8 N8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0865","0.0788","","","0.2171","0.2282","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518332","7.061","0.008","7.702","0.009","9.321","0.011","87.062","0.014","85.931","0.014","69.444","0.014","473.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Ag2 I4 N4 -","- C10 H16 Ag2 I4 N4 -","- C10 H16 Ag2 I4 N4 -","1","0.5","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.71073","MoKα","","0.0895","0.0802","","","0.2563","0.266","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518333","7.049","0.0003","21.8537","0.0009","13.1219","0.0007","90","","93.54","0.004","90","","2017.53","0.16","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Ag2 Br4 N4 -","- C12 H20 Ag2 Br4 N4 -","- C48 H80 Ag8 Br16 N16 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0843","0.0466","","","0.0941","0.1123","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518334","8.1184","0.0006","10.2788","0.0007","11.1619","0.001","107.439","0.007","104.091","0.007","94.198","0.006","851.06","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cu2 N5 S3 -","- C11 H14 Cu2 N5 S3 -","- C22 H28 Cu4 N10 S6 -","2","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0474","0.0356","","","0.0881","0.0963","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518335","5.9561","0.0002","12.4658","0.0006","20.3391","0.0007","90","","98.649","0.003","90","","1492.96","0.1","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cu N4 S2 -","- C11 H16 Cu N4 S2 -","- C44 H64 Cu4 N16 S8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0703","0.0435","","","0.0884","0.0991","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518336","14.6","0.003","14.602","0.003","23.236","0.004","99.165","0.005","99.281","0.005","94.805","0.005","4795.9","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H45 Fe11 O62.23 -","- C75 H45 Fe11 O62.2303 -","- C150 H90 Fe22 O124.461 -","2","1","","Mal, Sunit K.; Mitra, Merry; Biswas, Bhaskar; Kaur, Gurpreet; Bag, Partha P.; Reddy, C. Malla; Choudhury, Angshuman Roy; Aliaga-Alcalde, Nuria; Ghosh, Rajarshi","Ligand template synthesis of an undecametallic iron(III) complex: X-ray structure, magnetism and catecholase activity","Inorganica Chimica Acta","2015","425","","61","66","10.1016/j.ica.2014.09.027","","","0.71073","MoKα","","0.1292","0.069","","","0.1594","0.1901","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518337","19.0059","0.0005","21.9914","0.0005","22.092","0.0007","114.003","0.001","107.666","0.001","99.412","0.002","7588","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl3 F24 Ir2 N2 -","- C75 H60 B Cl3 F24 Ir2 N2 -","- C300 H240 B4 Cl12 F96 Ir8 N8 -","4","2","","Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C.","Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles","Catal. Sci. Technol.","2015","5","3","1452","","10.1039/C4CY01233J","","","0.71073","MoKα","","0.1925","0.0985","","","0.2244","0.2624","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518338","27.5079","0.0016","16.0629","0.0009","14.4082","0.001","90","","108.033","0.004","90","","6053.6","0.7","150","2","150","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H54 F18 N15 P3 Ru3 S9 -","- C36 H54 F18 N15 P3 Ru3 S9 -","- C144 H216 F72 N60 P12 Ru12 S36 -","4","1","","Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.","Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry","Chem. Sci.","2015","6","2","1334","","10.1039/C4SC02799J","","","0.71073","MoKα","","0.0719","0.0565","","","0.147","0.1629","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518339","7.3807","0.0012","11.755","0.002","15.94","0.003","102.912","0.005","92.025","0.005","100.595","0.005","1320.8","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C60 H48 Au4 N4 O8 -","4","2","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0867","","","","0.2496","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518340","6.0552","0.0005","7.0297","0.0006","15.9689","0.0014","96.315","0.003","93.979","0.003","90.279","0.003","673.93","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au N O2 -","- C15 H12 Au N O2 -","- C30 H24 Au2 N2 O4 -","2","1","","Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime","Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds","Chem. Sci.","2015","6","2","1491","","10.1039/C4SC02676D","","","0.71075","MoKα","","","0.0542","","","","0.133","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518341","31.136","0.009","20.048","0.006","15.849","0.004","90","","108.347","0.005","90","","9390","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H92 Cd3 N8 O23 -","- C80 H74 Cd3 N6 O21 -","- C320 H296 Cd12 N24 O84 -","4","0.5","","Yi, Fei-Yan; Wang, Ying; Li, Jian-Ping; Wu, Dai; Lan, Ya-Qian; Sun, Zhong-Ming","An ultrastable porous metal‒organic framework luminescent switch towards aromatic compounds","Mater. Horiz.","2015","2","2","245","","10.1039/C4MH00210E","","","0.71073","MoKα","","0.1211","0.0841","","","0.2592","0.2854","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518342","9.7143","0.0001","22.5934","0.0001","12.6641","0.0001","90","","106.703","0.001","90","","2662.23","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dibenzyl-6-(3-(2-bromophenyl)-3-oxo-1-phenylpropyl)piperazine-2,3,5-trione","","- C33 H27 Br N2 O4 -","- C33 H27 Br N2 O4 -","- C132 H108 Br4 N8 O16 -","4","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0187","0.0185","","","0.0475","0.0477","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518343","12.1648","0.0001","12.4912","0.0001","17.107","0.0002","90","","90","","90","","2599.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dibenzyl-6-(3-oxo-1,3-diphenylpropyl)piperazine-2,3,5-trione","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0249","0.0243","","","0.0623","0.0629","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518344","6.25441","0.00012","12.592","0.0002","13.61853","0.00018","100.755","0.0012","92.7028","0.0013","95.0674","0.0014","1047.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","1,4-dibenzyl-6-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)piperazine-2,3,5-trione","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C48 H52 N4 O10 -","2","2","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0314","0.0302","","","0.0778","0.0785","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518345","12.14306","0.00017","6.28576","0.00007","13.0165","0.0002","90","","108.566","0.0017","90","","941.82","0.02","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.54184","CuKα","","0.0304","0.0281","","","0.069","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518346","12.2545","0.0003","11.5949","0.0003","9.7196","0.0002","90","","90","","90","","1381.06","0.06","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 Cr2 O8 P2 -","- C8 H4 Cr2 O8 P2 -","- C32 H16 Cr8 O32 P8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54178","CuKα","","0.025","0.0233","","","0.0645","0.0654","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518347","12.4977","0.0012","12.0462","0.0014","10.1185","0.0009","90","","90","","90","","1523.3","0.3","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 O8 P2 W2 -","- C8 H4 O8 P2 W2 -","- C32 H16 O32 P8 W8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.0275","0.0229","","","0.0541","0.0558","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518348","6.9134","0.0009","7.3239","0.001","8.761","0.001","111.796","0.012","92.15","0.01","115.204","0.014","362.43","0.11","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54184","CuKα","","0.0436","0.0386","","","0.1004","0.1036","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518352","11.70071","0.00013","11.70071","0.00013","11.70071","0.00013","90","","90","","90","","1601.9","0.03","120.05","0.1","120.05","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0311","0.029","","","0.0697","0.0723","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518353","11.74713","0.00009","11.74713","0.00009","11.74713","0.00009","90","","90","","90","","1621.05","0.02","302.5","0.7","302.5","0.7","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0299","0.0298","","","0.0748","0.0748","","","","","","1.323","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518354","11.78842","0.00018","11.78842","0.00018","11.78842","0.00018","90","","90","","90","","1638.2","0.04","400","0.14","400","0.14","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Cu(I)Cl trithiocyanurate","","- C3 H3 Cl Cu N3 S3 -","- C3 H3 Cl Cu N3 S3 -","- C24 H24 Cl8 Cu8 N24 S24 -","8","0.333333","","Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K.","Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor","Chem. Sci.","2015","6","2","1465","","10.1039/C4SC03295K","","","1.54184","CuKα","","0.0746","0.0739","","","0.1765","0.1774","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518355","13.6052","0.0006","19.6523","0.0009","14.3113","0.0007","90","","105.559","0.0005","90","","3686.2","0.3","88","2","88","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H44 K N2 O13 Rh -","- C32 H44 K N2 O13 Rh -","- C128 H176 K4 N8 O52 Rh4 -","4","1","","Murphy, Stephen K.; Bruch, Achim; Dong, Vy M.","Mechanistic insights into hydroacylation with non-chelating aldehydes","Chemical Science","2015","6","1","174","180","10.1039/c4sc02026j","","","0.71073","MoKα","","0.0267","0.0258","","","0.065","0.0658","","","","","","1.067","","","","has coordinates,has disorder","274636","2022-04-22","15:52:32",""
"1518357","9.952","0.002","15.043","0.004","11.1","0.003","90","","90.067","0.009","90","","1661.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C.","[Cp*Ru]-catalyzed selective coupling/hydrogenation","Catal. Sci. Technol.","2015","5","3","1650","","10.1039/C4CY01303D","","x-ray","0.71073","MoKα","","0.0732","0.0519","","","0.1165","0.1246","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518358","9.5147","0.001","8.7236","0.0009","12.2763","0.0013","90","","96.21","0.002","90","","1012.98","0.18","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Pd -","- C18 H32 N4 Pd -","- C36 H64 N8 Pd2 -","2","0.5","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0254","0.0211","","","0.0569","0.0598","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518359","9.5437","0.0006","12.6519","0.0008","14.7569","0.001","81.229","0.002","83.044","0.002","81.137","0.002","1731.26","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cl4 N6 Pd -","- C28 H50 Cl4 N6 Pd -","- C56 H100 Cl8 N12 Pd2 -","2","1","","Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo","Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands","Chem. Sci.","2015","6","2","1426","","10.1039/C4SC02998D","","","0.71073","MoKα","","0.0444","0.034","","","0.0732","0.0777","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518360","11.649","0.003","18.299","0.005","18.362","0.005","60.833","0.005","80.132","0.006","86.221","0.006","3366.6","1.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","ksk1621","","- C145 H149 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","- C145 H143 Cl6 Cs3 N8 O14 -","1","0.5","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1782","0.1032","","","0.2453","0.2723","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518361","12.5824","0.001","16.3849","0.0012","18.0859","0.0011","89.08","0.003","89.123","0.003","70.854","0.002","3521.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","ksk1761","","- C74 H78 Cl6 Cs F N4 O8 -","- C74 H77 Cl6 Cs F N4 O8 -","- C148 H154 Cl12 Cs2 F2 N8 O16 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.0849","0.062","","","0.1307","0.1394","","","","","","1.258","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518362","16.284","0.003","21.681","0.004","24.254","0.005","65.823","0.004","87.933","0.005","77.172","0.005","7602","3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","ksk1622","","- C82 H92 N4 O12 -","- C80 H88 N4 O11 -","- C320 H352 N16 O44 -","4","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1204","0.0919","","","0.2481","0.2613","","","","","","1.189","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518363","18.865","0.003","17.828","0.003","20.315","0.004","90","","107.064","0.003","90","","6532","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ksk1635","","- C75 H71 Cl3 N4 O12 -","- C74.34 H74 Cl3 N4 O7.67 -","- C297.36 H296 Cl12 N16 O30.68 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.0909","0.0702","","","0.1924","0.2184","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518364","18.1082","0.0015","20.262","0.002","21.408","0.003","90","","105.284","0.003","90","","7577","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ksk1615","","- C81 H94 Cl6 F N5 O6 -","- C79.5 H91 Cl3 F N5 O6 -","- C318 H364 Cl12 F4 N20 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71075","MoKα","","0.1056","0.0738","","","0.1694","0.1789","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518365","19.8344","0.0003","17.7442","0.0003","20.5845","0.0004","90","","109.128","0.002","90","","6844.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ksk1917","","- C78 H81 N7 O6 -","- C78 H80.32 N7 O6 -","- C312 H321.28 N28 O24 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.102","0.0773","","","0.2082","0.2297","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518366","28.4416","0.0013","17.3237","0.0008","28.5922","0.0014","90","","90.135","0.003","90","","14087.7","1.1","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","ksk1818","","- C74 H77 Cl4 Cs N4 O7 -","- C72.5 H73.5 Cl Cs N4 O7 -","- C580 H588 Cl8 Cs8 N32 O56 -","8","2","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.3235","0.1786","","","0.3976","0.4448","","","","","","1.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518367","17.1643","0.0012","20.272","0.0015","20.1109","0.0015","90","","99.129","0.002","90","","6909","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","ksk1823","","- C74 H77 Cl3 Cs F N4 O7 -","- C73 H75.12 Cs F N4 O7 -","- C292 H300.48 Cs4 F4 N16 O28 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","0.71073","MoKα","","0.1028","0.074","","","0.1865","0.2053","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518368","17.7069","0.0004","19.2391","0.0003","27.8205","0.0006","71.903","0.002","75.381","0.002","69.249","0.002","8315.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","ksk1928","","- C163 H193 Cl6 F2 N10 O15 -","- C161 H173.53 Cl2 F2 N10 O14.53 -","- C322 H347.06 Cl4 F4 N20 O29.06 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.","Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles","Chem. Sci.","2015","6","2","1404","","10.1039/C4SC03272A","","","1.54184","CuKα","","0.1159","0.0914","","","0.2854","0.3199","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518371","33.067","0.004","14.8252","0.0015","17.1809","0.0012","90","","121.19","0.01","90","","7205.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H4BINDI","H4BINDI","","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","- C279.28 H164 N37 O100 -","1","0.125","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.7107","MoKα","","0.1476","0.1154","","","0.3613","0.3847","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518372","34.3413","0.0018","10.0447","0.0007","17.7382","0.0017","90","","96.234","0.006","90","","6082.6","0.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Mg-NDI","Mg-NDI","","- C69 H35 Mg4 N7 O30 -","- C69 H35 Mg4 N7 O30 -","- C138 H70 Mg8 N14 O60 -","2","0.5","","Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul","Solid state organic amine detection in a photochromic porous metal organic framework","Chem. Sci.","2015","6","2","1420","","10.1039/C4SC03224A","","","0.71073","MoKα","","0.1637","0.1057","","","0.2679","0.2975","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518403","8.2167","0.0008","16.3939","0.0017","25.795","0.003","90","","86.989","0.009","90","","3469.9","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O -","- C25 H17 N O -","- C200 H136 N8 O8 -","8","4","","Wang, Zhen; Li, Ting","Facile Synthesis of 6-Acylated Pyrido[2,1-a]isoindoles from 2-Arylpyridines and γ-Substituted tert-Propargyl Alcohols via Rhodium-Catalyzed C-H Bond Activation and β-Carbon Elimination.","Organic letters","2015","17","5","1348","","10.1021/ol503157k","","","0.71073","MoKα","","0.2551","0.1039","","","0.1608","0.2302","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518406","11.4796","0.0004","15.5902","0.0006","15.8639","0.0006","98.551","0.002","106.145","0.002","104.953","0.002","2559.42","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 P2 -","- C28 H36 N2 P2 -","- C112 H144 N8 P8 -","4","2","","Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene","Catal. Sci. Technol.","2015","5","3","1678","","10.1039/C4CY01441C","","","0.71073","MoKα","","0.0755","0.0427","","","0.091","0.1039","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518407","9.827","0.0006","16.9659","0.0008","21.6298","0.0013","69.273","0.005","81.505","0.005","87.976","0.005","3335.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H86 N6 O3 -","- C73 H82 N6 O2 -","- C146 H164 N12 O4 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","x-ray","0.6889","Synchrotron","","0.1002","0.0756","","","0.1865","0.2097","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518408","15.4721","0.0005","16.3717","0.0005","19.0278","0.0006","92.068","0.002","110.731","0.003","99.28","0.003","4426","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H92 Cl18 N6 O3 -","- C83 H89 Cl9 N6 O3 -","- C166 H178 Cl18 N12 O6 -","2","1","","Slater, Anna G.; Hu, Ya; Yang, Lixu; Argent, Stephen P.; Lewis, William; Blunt, Matthew O.; Champness, Neil R.","Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly","Chem. Sci.","2015","6","2","1562","","10.1039/C4SC03531C","","","1.54184","CuKα","","0.1406","0.122","","","0.3579","0.3846","","","","","","1.579","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518409","5.9763","0.0005","11.5786","0.0008","29.273","0.003","90","","90","","90","","2025.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","TPP","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.0528","0.0392","","","0.0894","0.0976","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518410","10.6571","0.0009","11.1264","0.0009","13.1685","0.0009","88","0.006","76.566","0.007","74.575","0.007","1463.4","0.2","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","TPP-2P","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1821","0.0694","","","0.1548","0.2161","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518411","11.1806","0.0008","11.4458","0.0007","12.861","0.0009","101.527","0.006","91.283","0.006","99.274","0.006","1589.02","0.19","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","TPP-2PM","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1027","0.0565","","","0.1377","0.1674","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518412","9.768","0.0011","12.3063","0.0014","12.4687","0.0014","68.542","0.011","70.492","0.01","88.089","0.009","1308.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TPP-4M","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.1215","0.0894","","","0.2711","0.2907","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518413","10.244","0.001","13.8307","0.0014","14.5665","0.0014","72.3415","0.0018","70.128","0.0018","75.9246","0.0018","1826.7","0.3","294","2","294","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H39 N7 O5 -","- C41 H39 N7 O5 -","- C82 H78 N14 O10 -","2","1","","Mahapatra, Ajit Kumar; Manna, Saikat Kumar; Maiti, Kalipada; Mondal, Sanchita; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Uddin, Md Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","An azodye-rhodamine-based fluorescent and colorimetric probe specific for the detection of Pd(2+) in aqueous ethanolic solution: synthesis, XRD characterization, computational studies and imaging in live cells.","The Analyst","2015","140","4","1229","1236","10.1039/c4an01575d","","","0.71073","MoKα","","0.1274","0.0869","","","0.2493","0.2907","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518416","7.4957","0.0003","12.0298","0.0004","17.8347","0.0007","87.387","0.0012","87.555","0.0011","74.708","0.001","1548.85","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N O14 -","- C34 H35 N O14 -","- C68 H70 N2 O28 -","2","2","","Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan","Pentacyclic antibiotics from a tidal mud flat-derived actinomycete.","Journal of natural products","2015","78","3","524","529","10.1021/np500736b","","","1.54178","CuKα","","0.0334","0.0327","","","0.0882","0.0889","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518421","10.543","0.002","9.344","0.002","22.465","0.005","90","","92.128","0.003","90","","2211.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C92 H112 N8 O16 S4 -","4","1","","Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua","One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay.","Organic letters","2015","17","1","66","69","10.1021/ol503247t","","","0.71073","MoKα","","0.1189","0.1127","","","0.2855","0.288","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518422","26.688","0.006","18.145","0.005","9.062","0.002","90","","90","","90","","4388.3","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(9a-allyl-6,8-dimethoxy-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-methylbenzenesulfonamide","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C184 H224 N16 O32 S8 -","8","2","","Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua","One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay.","Organic letters","2015","17","1","66","69","10.1021/ol503247t","","","0.71073","MoKα","","0.136","0.0785","","","0.1259","0.1555","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518427","16.6085","0.001","7.853","0.0006","20.7239","0.0015","90","","103.721","0.003","90","","2625.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F3 N2 O2 -","- C15 H9 F3 N2 O2 -","- C120 H72 F24 N16 O16 -","8","2","","Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit","KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles.","Organic letters","2015","17","1","82","85","10.1021/ol503274z","","x-ray","0.71073","MoKα","","0.1472","0.0989","","","0.278","0.3228","","","","","","1.055","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518428","19.16","0.002","11.3942","0.0014","15.345","0.003","90","","126.612","0.002","90","","2689","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C120 H88 Cl8 N16 O16 -","8","1","","Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit","KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles.","Organic letters","2015","17","1","82","85","10.1021/ol503274z","","x-ray","0.71073","MoKα","","0.0743","0.0555","","","0.157","0.1695","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518432","10.336","0.002","14.852","0.003","4.924","0.001","90","","90","","90","","755.9","0.3","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0718","0.0642","","","0.1304","0.1331","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518433","10.26","0.002","14.837","0.003","4.8169","0.001","90","","90","","90","","733.3","0.3","295","2","295","2","","","880000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0571","0.0477","","","0.0928","0.0957","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518434","10.22","0.002","14.832","0.003","4.7689","0.001","90","","90","","90","","722.9","0.3","295","2","295","2","","","1120000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0728","0.0626","","","0.145","0.1538","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518435","10.218","0.002","14.823","0.003","4.7439","0.0009","90","","90","","90","","718.5","0.2","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0694","0.0616","","","0.1305","0.1346","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518436","10.181","0.002","14.808","0.003","4.693","0.0009","90","","90","","90","","707.5","0.2","295","2","295","2","","","1800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0689","0.0612","","","0.1396","0.1428","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518437","10.11","0.002","14.808","0.003","4.5801","0.0009","90","","90","","90","","685.7","0.2","295","2","295","2","","","2600000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0595","0.0393","","","0.0688","0.072","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518438","10.06","0.002","14.798","0.003","4.537","0.0009","90","","90","","90","","675.4","0.2","295","2","295","2","","","3210000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0758","0.0541","","","0.099","0.1026","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518439","10.05","0.002","14.807","0.003","4.4206","0.0009","90","","90","","90","","657.8","0.2","295","2","295","2","","","4000000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0761","0.0543","","","0.1016","0.1075","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518440","10.04","0.002","14.796","0.003","4.3879","0.0009","90","","90","","90","","651.8","0.2","295","2","295","2","","","4200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0548","0.0389","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518441","10.056","0.002","14.779","0.003","4.275","0.0009","90","","90","","90","","635.3","0.2","295","2","295","2","","","5150000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0843","0.0576","","","0.1034","0.1107","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518442","10.059","0.002","14.776","0.003","4.261","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5230000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0826","0.0614","","","0.1223","0.1314","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518443","10.063","0.002","14.787","0.003","4.256","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5330000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0866","0.0561","","","0.0949","0.104","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518444","9.714","0.011","14.99","0.02","4.262","0.019","90","","90","","90","","621","3","295","2","295","2","","","5540000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0887","0.0674","","","0.1408","0.1489","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518445","9.73","0.0019","14.987","0.003","4.234","0.0008","90","","90","","90","","617.4","0.2","295","2","295","2","","","5800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0709","0.0538","","","0.0989","0.1032","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518446","9.694","0.0019","14.931","0.003","4.2234","0.0008","90","","90","","90","","611.3","0.2","295","2","295","2","","","6200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0615","0.0523","","","0.1001","0.1023","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518447","9.9998","0.0006","20.6538","0.0012","31.3512","0.0018","90","","90","","90","","6475.1","0.7","15","2","15","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C67 F6 -","- C67 F6 -","- C536 F48 -","8","1","","San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.","A faux hawk fullerene with PCBM-like properties","Chem. Sci.","2015","6","3","1801","","10.1039/C4SC02970D","","","0.41328","synchrotron","","0.0865","0.0732","","","0.1576","0.1633","","","","","","1.215","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518448","14.166","0.007","13.519","0.007","25.901","0.013","90","","90","","90","","4960","4","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","bis(m6-h1:h5:h6:h6:h6:h6-Corannulene)- -(tetrahydrofuran-O,O)-bis(tetrahydrofuran-O,O,O)- -tetra-lithium-tetra-rubidium","","- C60 H60 Li4 O5 Rb4 -","- C60 H60 Li4 O5 Rb4 -","- C240 H240 Li16 O20 Rb16 -","4","0.25","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1516","0.0846","","","0.1934","0.2331","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518449","10.064","0.003","15.27","0.004","22.129","0.006","90.416","0.003","93.102","0.003","94.532","0.004","3384.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(m6-h5:h6:h6:h6:h6:h6-Corannulene)- -bis(diglyme)-bis(diglyme)- -tetra-lithium-tetra-rubidium- tetrahydrofuran solvate","","- C66 H80 Li3 O12.5 Rb5 -","- C66 H80 Li3 O12.5 Rb5 -","- C132 H160 Li6 O25 Rb10 -","2","1","","Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts","Chem. Sci.","2015","6","3","1959","","10.1039/C4SC03485F","","","0.71073","Mo-Kα","","0.1703","0.0977","","","0.215","0.2399","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518450","23.1686","0.0013","9.677","0.0006","16.8001","0.001","90","","118.272","0.0016","90","","3317.3","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 N4 O19 Tm -","- C28 H46 N4 O19 Tm -","- C112 H184 N16 O76 Tm4 -","4","1","","Funk, Alexander M.; Finney, Katie-Louise N. A.; Harvey, Peter; Kenwright, Alan M.; Neil, Emily R.; Rogers, Nicola J.; Kanthi Senanayake, P.; Parker, David","Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes","Chem. Sci.","2015","6","3","1655","","10.1039/C4SC03429E","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1094","0.1175","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518451","52.27","0.06","5.01","0.006","22.83","0.03","90","","105.49","0.03","90","","5761","12","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","FmocFF","","- C33 H31.75 N2 O5.88 -","- C33 H30 N2 O5.845 -","- C264 H240 N16 O46.76 -","8","2","","Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.","The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.","Soft matter","2015","11","5","927","935","10.1039/c4sm02256d","","x-ray","0.6889","","","0.2274","0.1027","","","0.2387","0.3134","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518452","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H.","Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1537","1547","10.1039/C4SC02402H","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518453","28.1062","0.0003","28.1062","0.0003","14.709","0.0002","90","","90","","90","","11619.5","0.2","140.15","","140.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C32 H31 F3 N4 O6 -","- C32 H31 F3 N4 O6 -","- C512 H496 F48 N64 O96 -","16","","","Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen","(±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides.","Journal of natural products","2015","78","1","125","130","10.1021/np500801s","","","1.54178","CuKα","","0.0541","0.0511","","","0.1377","0.1406","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518454","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, Marlena; Cenedese, Simone; Stadnicka, Katarzyna","Crystal Engineering and Charge Density Study of Pharmaceutical Nonlinear Optical Material: Melamine-Barbital Co-Crystal","The Journal of Physical Chemistry C","2015","119","1","590","","10.1021/jp509210g","","","0.71073","MoKα","","0.089","0.028","","","","0.023","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518455","7.788","0.0004","16.0615","0.001","20.7023","0.0012","90","","90","","90","","2589.6","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl 3-((E)-(((S)-2-(methoxymethyl)pyrrolidin-1-yl)imino)methyl) -2-((R)-1-phenylethyl)-1H-indole-1-carboxylate","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","","Lee, Pin-Sheng; Yoshikai, Naohiko","Cobalt-catalyzed enantioselective directed C-h alkylation of indole with styrenes.","Organic letters","2015","17","1","22","25","10.1021/ol503119z","","","0.71073","MoKα","","0.0971","0.059","","","0.1014","0.1162","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518456","19.3925","0.0007","6.0017","0.0001","17.9993","0.0006","90","","107.635","0.004","90","","1996.45","0.11","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C21 H28 O4 S -","- C21 H28 O4 S -","- C84 H112 O16 S4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0443","0.0435","","0.1216","0.1212","0.1216","","","","","","1.0367","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518457","6.2688","0.0001","16.308","0.0001","18.2849","0.0002","90","","90","","90","","1869.29","0.04","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0257","0.0252","","0.0656","0.0651","0.0656","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518458","9.0419","0.0001","12.2803","0.0002","19.0748","0.0002","90","","90","","90","","2118.01","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0303","0.0298","","","0.0823","0.0829","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518459","9.6257","0.0001","24.6776","0.0002","9.1983","0.0001","90","","108.936","0.001","90","","2066.71","0.04","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0403","0.0384","","","0.1062","0.1081","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518460","10.1067","0.0002","11.5787","0.0003","19.2079","0.0005","83.811","0.002","82.159","0.002","76.354","0.002","2157.2","0.09","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","2","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0436","0.0412","","","0.1115","0.114","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518461","21.3083","0.0015","16.6395","0.0006","17.8923","0.0007","90","","118.967","0.004","90","","5550.3","0.5","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H21 Cl2 N O4 -","- C24 H21 Cl2 N O4 -","- C192 H168 Cl16 N8 O32 -","8","2","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","0.71073","MoKα","","0.0845","0.054","","","0.1342","0.1464","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518462","24.0183","0.0013","11.2598","0.0006","7.4174","0.0004","90","","90","","90","","2005.97","0.19","123","","123","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H21 Br N2 O3 S -","- C21 H21 Br N2 O3 S -","- C84 H84 Br4 N8 O12 S4 -","4","1","","Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi","Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles.","Organic letters","2015","17","1","86","89","10.1021/ol5032848","","","0.71075","MoKα","","","0.0395","","","","0.097","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518463","8.12","0.0006","11.101","0.0008","21.7055","0.0013","90","","94.955","0.003","90","","1949.2","0.2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Br N2 O3 S -","- C21 H21 Br N2 O3 S -","- C84 H84 Br4 N8 O12 S4 -","4","1","","Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi","Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles.","Organic letters","2015","17","1","86","89","10.1021/ol5032848","","","0.71075","MoKα","","","0.0615","","","","0.1925","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518464","9.1452","0.0001","12.5627","0.0002","16.2841","0.0002","90","","90","","90","","1870.85","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0315","0.0304","","","0.0855","0.0868","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518465","9.2683","0.0001","9.2683","0.0001","18.5901","0.0003","90","","90","","120","","1382.97","0.03","291","2","291","2","","","","","","","","3","P 32","P 32","145","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C57 H78 O21 -","3","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0241","0.024","","","0.0643","0.0644","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518466","43.491","0.004","5.5109","0.0005","18.3225","0.0015","90","","95.331","0.007","90","","4372.4","0.7","100","2","100.09","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24.5 H26.52 O7 -","- C24.5 H26.518 O7 -","- C196 H212.144 O56 -","8","2","","McDonald, Benjamin R.; Nibbs, Antoinette E.; Scheidt, Karl A.","A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin a.","Organic letters","2015","17","1","98","101","10.1021/ol503303w","","","1.54178","CuKα","","0.1121","0.0768","","","0.2036","0.2394","","","","","","1.053","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518467","7.1391","0.0015","7.5445","0.0014","15.455","0.004","88.709","0.007","83.268","0.005","76.661","0.006","804.4","0.3","103","","103","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko","Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.","Organic letters","2015","17","1","126","129","10.1021/ol503356m","","x-ray","0.71073","MoKα","","0.0446","0.0412","","","0.1201","0.1255","","","","","","0.687","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518468","16.194","0.003","6.597","0.0012","18.175","0.004","90","","102.603","0.002","90","","1894.9","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O7 S -","- C19 H24 O7 S -","- C76 H96 O28 S4 -","4","1","","Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko","Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.","Organic letters","2015","17","1","126","129","10.1021/ol503356m","","","0.71073","MoKα","","0.0566","0.0488","","","","0.1635","","","","","","0.632","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518469","8.5794","0.0004","13.7444","0.001","13.7913","0.001","110.805","0.002","93.371","0.004","101.13","0.004","1477.17","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H10 Au B Cl10 N6 Pb -","- C21 H10 Au B Cl10 N6 Pb -","- C42 H20 Au2 B2 Cl20 N12 Pb2 -","2","1","","Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena","The gold(i)⋯lead(ii) interaction: a relativistic connection","Chem. Sci.","2015","6","3","2022","","10.1039/C4SC03680H","","","0.71073","MoKα","","0.0714","0.0371","","","0.0628","0.0707","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518470","10.0519","0.0019","11.0764","0.0019","19.917","0.003","90","","115.105","0.008","90","","2008","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-piperazine-1-yl-ethyl ammonium tris(hydrogensquarate) monohydrate","","","- C18 H21 N3 O13 -","- C18 H21 N3 O13 -","- C72 H84 N12 O52 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.1191","0.0987","","","0.2473","0.2593","","","","","","1.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518471","8.504","0.0015","11.8666","0.0017","9.5595","0.0015","90","","96.868","0.004","90","","957.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-morpholin-1-yl-ethyl squarate dianion","","","- C8 H15 N2 O3 -","- C8 H15 N2 O3 -","- C32 H60 N8 O12 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.0498","0.0347","","","0.1038","0.1193","","","","","","0.74","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518472","10.928","0.004","6.85","0.003","14.18","0.004","90","","91.265","0.013","90","","1061.2","0.7","199","2","199","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N2 O2 -","- C9 H17 N2 O2 -","- C36 H68 N8 O8 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.0902","0.0628","","","0.1629","0.1793","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518473","17.65","0.002","7.5376","0.001","22.793","0.003","90","","91.608","0.004","90","","3031.2","0.7","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-pyrrolidin-1-yl-ethyl ammonium bis(hydrogensquarate)","","","- C28 H27 N4 O16 -","- C28 H27 N4 O16 -","- C112 H108 N16 O64 -","4","0.5","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.0852","0.0709","","","0.2301","0.2439","","","","","","1.452","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518474","10.028","0.012","9.435","0.012","11.76","0.011","90","0.05","122.95","0.07","90","0.04","934","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-piperazine-1-yl-ethanol squarate dianion","","","- C8 H15 N2 O3 -","- C8 H15 N2 O3 -","- C32 H60 N8 O12 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.0532","0.0379","","","0.0712","0.0738","","","","","","1.616","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518475","9.975","0.003","11.085","0.003","18.066","0.005","90","","94.823","0.008","90","","1990.5","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-piperazine-1-yl-ethyl ammonium tris(hydrogensquarate) monohydrate","","","- C19 H22 N2 O13 -","- C19 H24 N2 O13 -","- C76 H96 N8 O52 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil","Environmental Geochemistry and Health","2015","","","","","10.1007/s10653-014-9673-9","","","0.71073","MoKα","","0.1096","0.0797","","","0.1926","0.2152","","","","","","0.874","","","","has coordinates","186186","2020-10-21","18:00:00",""
"1518476","9.539","0.002","10.408","0.002","11.253","0.003","115.767","0.003","97.422","0.003","91.945","0.003","992.6","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 F6 O6 Pd Sb -","- C14 H23 F6 O6 Pd Sb -","- C28 H46 F12 O12 Pd2 Sb2 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0934","0.053","","","0.0716","0.0799","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518477","18.89","0.005","16.805","0.004","13.196","0.003","90","","90","","90","","4189","1.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H22 F6 N O6 Pd Sb -","- C15 H22 F6 N O6 Pd Sb -","- C120 H176 F48 N8 O48 Pd8 Sb8 -","8","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0368","0.0293","","","0.0711","0.0768","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518478","16.758","0.003","16.947","0.004","9.5046","0.0019","90","","90","","90","","2699.3","1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 F6 O6 Pd Sb -","- C22 H35 F6 O6 Pd Sb -","- C88 H140 F24 O24 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0404","0.033","","","0.062","0.067","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518479","10.0271","0.0007","19.0026","0.0014","14.5138","0.001","90","","92.747","0.001","90","","2762.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 F6 N3 O10 Pd Sb -","- C17 H28 F6 N3 O10 Pd Sb -","- C68 H112 F24 N12 O40 Pd4 Sb4 -","4","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.03","0.0269","","","0.0677","0.0696","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518480","16.4284","0.0014","19.3745","0.0017","21.4447","0.0019","66.181","0.002","88.434","0.002","72.775","0.002","5930.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H86 Cl20 F24 O16 Pd4 Sb4 -","- C64 H84 Cl16 F24 O16 Pd4 Sb4 -","- C128 H168 Cl32 F48 O32 Pd8 Sb8 -","2","1","","Commarieu, Basile; Claverie, Jerome P.","Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification‒insertion mechanism","Chem. Sci.","2015","6","4","2172","","10.1039/C4SC03575E","","","0.71073","MoKα","","0.0963","0.056","","","0.1355","0.1494","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518481","4.6451","0.0003","11.3065","0.0008","12.3885","0.0007","90","","94.458","0.002","90","","648.67","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 Cl O6 -","- C12 H13 Cl O6 -","- C24 H26 Cl2 O12 -","2","1","","Wu, Jing; Tokunaga, Taiki; Kondo, Mitsuru; Ishigami, Kota; Tokuyama, Shinji; Suzuki, Tomohiro; Choi, Jae-Hoon; Hirai, Hirofumi; Kawagishi, Hirokazu","Erinaceolactones A to C, from the Culture Broth of Hericium erinaceus.","Journal of natural products","2015","78","1","155","158","10.1021/np500623s","","","0.71075","MoKα","","","0.0555","","","","0.1384","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518482","8.8127","0.001","13.2298","0.0012","32.5","0.003","90","","90","","90","","3789.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","20120034","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C192 H160 N16 O8 -","8","1","","Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao","Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles.","Organic letters","2015","17","2","310","313","10.1021/ol503404p","","","0.71073","MoKα","","0.0945","0.058","","","0.1122","0.1267","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518483","10.0098","0.0005","10.1777","0.0007","12.0505","0.0007","67.347","0.006","70.617","0.005","79.738","0.005","1066.95","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-(2-chloroethyl)-2,2-diphenyl-3-(methylcarbonyloxyethyl)-6-methyl- 1,3-oxazinen-4-one","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Craig, Alexander J.; van der Salm, Louise; Stevens-Cullinane, Lars; Lucas, Nigel T.; Tan, Eng Wui; Hawkins, Bill C.","Expedient Metal-Free Synthesis of 1,3-Oxazinen-4-ones.","Organic letters","2015","17","2","234","237","10.1021/ol503350h","","","1.54184","CuKα","","0.0383","0.0341","","","0.0848","0.089","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518484","9.1948","0.0011","12.5947","0.0014","13.668","0.0016","79.379","0.003","77.83","0.003","78.547","0.003","1499.6","0.3","100","2","100","2","","","","","","","synthesis","5","P 1","P 1","1","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","1","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Raja, K. Muruga Poopathi; Gopi, Hosahudya N.","Design of Stable β-Hairpin Mimetics through Backbone Disulfide Bonds.","Organic letters","2015","17","2","230","233","10.1021/ol503310r","","","0.71073","MoKα","","0.0586","0.0492","","","0.1307","0.1388","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518485","8.0428","0.0005","19.587","0.0008","12.8121","0.0007","90","","104.921","0.006","90","","1950.29","0.19","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 I N O2 S -","- C22 H16 I N O2 S -","- C88 H64 I4 N4 O8 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang","Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s.","Organic letters","2015","17","2","242","245","10.1021/ol503316e","","","0.71073","MoKα","","0.0459","0.0354","","","0.0753","0.0818","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518486","8.195","0.0005","10.1773","0.0006","11.9407","0.0008","86.942","0.005","83.912","0.005","76.661","0.005","963.13","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 I N O2 S -","- C21 H14 I N O2 S -","- C42 H28 I2 N2 O4 S2 -","2","1","","Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang","Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s.","Organic letters","2015","17","2","242","245","10.1021/ol503316e","","","0.71073","MoKα","","0.042","0.0323","","","0.0707","0.076","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518487","17.142","0.003","9.0363","0.0018","12.653","0.003","90","","90.03","0.03","90","","1960","0.7","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0477","0.0318","","","0.0698","0.0802","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518488","14.969","0.008","7.307","0.004","12.761","0.007","90","","90","","90","","1395.8","1.3","113","2","113","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0386","0.0342","","","0.0664","0.0684","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518489","8.0572","0.0016","8.3258","0.0017","17.63","0.004","88.79","0.03","84.64","0.03","75.45","0.03","1139.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Co2 O11 -","- C22 H14 Co2 O11 -","- C44 H28 Co4 O22 -","2","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0819","0.0379","","","0.0723","0.0893","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518490","15.8829","0.0006","19.5684","0.0009","11.5831","0.0005","90","","90","","90","","3600.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Co2 F6 N O5 P2 -","- C36 H34 Co2 F6 N O5 P2 -","- C144 H136 Co8 F24 N4 O20 P8 -","4","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0475","0.035","","","0.0861","0.0937","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518491","8.8649","0.0008","20.8055","0.0019","9.1083","0.0008","90","","101.487","0.003","90","","1646.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H37 Co2 N3 O5 P2 Si -","- C29.97 H34.91 Co2 N3 O5 P2 Si -","- C59.94 H69.82 Co4 N6 O10 P4 Si2 -","2","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0234","0.0225","","","0.0584","0.0591","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518492","30.8526","0.0005","11.997","0.0002","18.7562","0.0003","90","","113.744","0.001","90","","6354.75","0.19","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 B Cl3 F4 N2 O2 -","- C32 H22 B Cl3 F4 N2 O2 -","- C256 H176 B8 Cl24 F32 N16 O16 -","8","1","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0665","0.0491","","","0.1259","0.1329","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518493","8.5347","0.0002","14.9824","0.0004","10.2813","0.0002","90","","96.632","0.0009","90","","1305.88","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TOG579B","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0364","0.0316","","","0.0763","0.0793","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518494","12.7796","0.0003","13.8018","0.0004","18.4448","0.0005","90","","90","","90","","3253.32","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","2","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0317","0.0283","","","0.0711","0.0731","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518495","10.18","0.0012","10.18","0.0012","10.954","0.003","90","","90","","120","","983.1","0.3","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C48 H36 Br3 N9 -","3","1","","Tang, Hai-Tao; Xiong, Kai; Li, Ren-Hao; Ding, Zong-Cang; Zhan, Zhuang-Ping","Synthesis of 5,6-Dihydropyrazolo[1,5-c]quinazolines through Gold-Catalyzed Chemoselective Bicyclization of N-Propargylic Sulfonylhydrazones.","Organic letters","2015","17","2","326","329","10.1021/ol503437n","","","0.71073","MoKα","","0.0431","0.0413","","","0.1031","0.1042","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518496","8.4386","0.0001","13.7676","0.0001","16.0276","0.0001","90","","100.27","0.001","90","","1832.24","0.03","123","2","123","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 As4 Co2 -","- C34 H58 As4 Co2 -","- C68 H116 As8 Co4 -","2","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0915","0.0926","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518497","17.893","0.001","19.9249","0.0011","11.6299","0.0005","90","","107.903","0.005","90","","3945.5","0.4","123","2","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 As4 Cl2 Co2 -","- C35 H60 As4 Cl2 Co2 -","- C140 H240 As16 Cl8 Co8 -","4","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.049","0.0387","","","0.0948","0.0998","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518498","10.3921","0.0005","14.3707","0.0007","14.8262","0.0008","62.53","0.005","76.535","0.004","79.819","0.004","1904.35","0.19","123","2","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H116 As10 Co4 -","- C68 As10 Co4 -","- C68 As10 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0877","0.0796","","","0.2268","0.2345","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518499","13.7956","0.0008","14.0892","0.0008","15.0382","0.001","62.971","0.006","69.895","0.006","61.292","0.006","2254","0.3","123","2","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","- C72 H124 As10 Cl8 Co4 -","1","0.5","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54184","CuKα","","0.1088","0.0787","","","0.1658","0.177","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518500","28.9202","0.0003","15.7899","0.0001","29.9375","0.0003","90","","112.752","0.001","90","","12607.1","0.2","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H87 As12 Co3 -","- C51 H87 As12 Co3 -","- C408 H696 As96 Co24 -","8","1","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","1.54178","CuKα","","0.0363","0.0271","","","0.0555","0.0589","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518501","23.3","0.002","7.0807","0.0007","11.6415","0.0013","90","","90","","90","","1920.6","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","[Se(IAd)]","","- C23 H32 N2 Se -","- C23 H32 N2 Se -","- C92 H128 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0257","0.0238","","","0.0562","0.0568","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518502","11.8147","0.0015","11.1443","0.0013","12.2088","0.0014","90","","108.21","0.003","90","","1527","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(ICy)]","","- C15 H24 N2 Se -","- C15 H24 N2 Se -","- C60 H96 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0393","0.033","","","0.0962","0.0998","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518503","14.4058","0.0013","7.4133","0.0007","25.023","0.003","90","","97.856","0.003","90","","2647.2","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Se(IDD)]","","- C27 H48 N2 Se -","- C27 H48 N2 Se -","- C108 H192 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0841","0.0704","","","0.2078","0.2216","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518504","8.3318","0.0011","7.4265","0.0009","13.6459","0.0019","90","","98.798","0.003","90","","834.42","0.19","173","","173","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","[Se(IMe)]","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C38 H40 N4 Se2 -","2","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0308","0.0277","","","0.0718","0.0736","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518505","16.043","0.002","7.3937","0.0009","16.055","0.002","90","","90","","90","","1904.4","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(IMes)]","","- C21 H24 N2 Se -","- C21 H24 N2 Se -","- C84 H96 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0791","0.0686","","","0.1823","0.1917","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518506","20.433","0.002","7.6327","0.0006","21.563","0.002","90","","106.66","0.003","90","","3221.8","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Se(IPent)]","","- C35 H52 N2 Se -","- C35 H52 N2 Se -","- C140 H208 N8 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0608","0.0448","","","0.106","0.1139","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518507","17.366","0.003","9.4565","0.0013","21.295","0.003","90","","109.08","0.003","90","","3305","0.9","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Se(IPrCl)]","","- C27 H34 Cl2 N2 Se -","- C27 H34 Cl2 N2 Se -","- C108 H136 Cl8 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0662","0.0612","","","0.224","0.2293","","","","","","1.208","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518508","15.9194","0.0019","7.4418","0.0007","16.1915","0.0019","90","","90","","90","","1918.2","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","[Se(SIMes)]","","- C21 H26 N2 Se -","- C21 H26 N2 Se -","- C84 H104 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0295","0.0239","","","0.0688","0.0715","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518509","9.3746","0.0016","15.527","0.003","8.3524","0.0014","90","","90.357","0.005","90","","1215.7","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Se(Tr2)]","","- C11 H6 F5 N3 Se -","- C11 H6 F5 N3 Se -","- C44 H24 F20 N12 Se4 -","4","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0679","0.048","","","0.1104","0.1182","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518510","7.8283","0.0013","7.9731","0.0014","18.447","0.003","97.93","0.006","94.637","0.005","90.042","0.005","1136.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr3)]","","- C11 H11 N3 O Se -","- C11 H11 N3 O Se -","- C44 H44 N12 O4 Se4 -","4","2","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.1583","0.1235","","","0.3333","0.3513","","","","","","1.165","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518511","8.5326","0.0019","10.637","0.003","11.589","0.003","107.558","0.004","101.546","0.004","107.498","0.003","906.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","[Se(Tr4)]","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C42 H42 N6 O2 Se2 -","2","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0265","0.0241","","","0.0542","0.0546","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518512","13.2692","0.0012","19.8926","0.0016","20.979","0.0019","90","","90","","90","","5537.6","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Se(Tr5)]","","- C30 H35 N3 O Se Si -","- C30 H35 N3 O Se Si -","- C240 H280 N24 O8 Se8 Si8 -","8","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0325","0.0248","","","0.0584","0.0616","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518526","4.00444","0.00019","11.1381","0.0006","12.202","0.0007","71.955","0.005","89.514","0.004","80.992","0.004","510.62","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(p-tolyl)acrylate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","0.71073","MoKα","","0.0507","0.0412","","","0.1083","0.1126","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518527","14.93217","0.00016","14.22602","0.00015","15.93712","0.00017","90","","100.89","0.001","90","","3324.49","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O4 -","- C38 H48 N2 O4 -","- C152 H192 N8 O16 -","4","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0382","0.0335","","","0.0893","0.0935","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518528","8.5558","0.0005","11.887","0.0004","17.0071","0.0008","99.115","0.003","92.129","0.004","94.397","0.004","1700.67","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O4 Si4 -","- C30 H40 N2 O4 Si4 -","- C60 H80 N4 O8 Si8 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0889","0.0629","","","0.1706","0.1941","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518529","8.6514","0.0002","11.8373","0.0004","20.4256","0.0006","82.751","0.003","87.339","0.002","86.175","0.002","2068.9","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N2 O4 Si6 -","- C34 H52 N2 O4 Si6 -","- C68 H104 N4 O8 Si12 -","2","1","","Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.","Increased carrier mobility in end-functionalized oligosilanes","Chem. Sci.","2015","6","3","1905","","10.1039/C4SC03274H","","","1.54178","CuKα","","0.0838","0.0643","","","0.1681","0.1887","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518530","18.9073","0.0016","20.7452","0.0006","21.091","0.002","67.38","0.02","77.21","0.02","65.257","0.013","6917.2","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C152.05 H75.74 Cl2.21 F40 N12 S8 -","- C152.047 H75.7412 Cl2.208 F40 N12 S8 -","- C304.094 H151.482 Cl4.416 F80 N24 S16 -","2","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0686","0.0639","","","0.1763","0.1805","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518531","49.998","0.016","12.402","0.003","35.242","0.011","90","","131.613","0.005","90","","16338","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87.05 H40.13 Cl3.96 F20 N6 S6 -","- C87.041 H40.096 Cl3.968 F20 N6 S6 -","- C696.328 H320.768 Cl31.744 F160 N48 S48 -","8","1","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.0881","0.085","","","0.2267","0.2299","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518532","17.2734","0.0008","18.9028","0.0005","30.1289","0.0017","105","0.014","92.92","0.02","107.23","0.03","8989","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C95.3 H48 Cl2.3 F20 N6 O0.5 S8 -","- C95.3065 H48 Cl2.2995 F20 N6 O0.5 S8 -","- C381.226 H192 Cl9.198 F80 N24 O2 S32 -","4","2","","Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents","Chem. Sci.","2015","6","3","1696","","10.1039/C4SC03394A","","","1.54187","CuKα","","0.1245","0.1104","","","0.3444","0.375","","","","","","1.073","","","","has coordinates,has disorder","278158","2022-09-26","15:28:11",""
"1518533","23.9571","0.0006","23.9571","0.0006","16.5415","0.0008","90","","90","","120","","8221.9","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C90 H72 Ag12 F18 N6 O12 S6 -","- C90 H72 Ag12 F18 N6 O12 S6 -","- C270 H216 Ag36 F54 N18 O36 S18 -","3","0.166667","","Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.","A thermochromic silver nanocluster exhibiting dual emission character.","Nanoscale","2015","7","5","1650","1654","10.1039/c4nr05122j","","","0.71073","MoKα","","0.0619","0.0449","","","0.1453","0.1569","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518534","5.2742","0.0004","8.2719","0.0005","29.673","0.002","90","","93.124","0.007","90","","1292.64","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2,4-Triazolium perfluorobutanesulfonate","1,2,4-Triazolium perfluorobutanesulfonate","","- C6 H4 F9 N3 O3 S -","- C6 H4 F9 N3 O3 S -","- C24 H16 F36 N12 O12 S4 -","4","1","","Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan","1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells","Energy Environ. Sci.","2015","8","4","1276","","10.1039/C4EE02280G","","","0.71073","MoKα","","0.0617","0.0559","","","0.1163","0.1193","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518535","5.351","0.0003","8.2492","0.0005","30.2383","0.0018","90","","93.95","0.005","90","","1331.59","0.14","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2,4-Triazolium perfluorobutanesulfonate","1,2,4-Triazolium perfluorobutanesulfonate","","- C6 H4 F9 N3 O3 S -","- C6 H4 F9 N3 O3 S -","- C24 H16 F36 N12 O12 S4 -","4","1","","Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan","1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells","Energy Environ. Sci.","2015","8","4","1276","","10.1039/C4EE02280G","","","0.71073","MoKα","","0.1009","0.0906","","","0.2334","0.2404","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518536","32.403","0.008","6.8959","0.0017","15.25","0.004","90","","97.03","0.004","90","","3382","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 F6 N O3 -","- C18 H11 F6 N O3 -","- C144 H88 F48 N8 O24 -","8","1","","Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan","Rh(iii)-catalyzed C‒H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant","Chem. Sci.","2015","6","3","1923","","10.1039/C4SC03350G","","","0.71073","MoKα","","0.0717","0.0568","","","0.152","0.1668","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518537","7.4245","0.0005","13.2237","0.0008","24.7183","0.0016","96.898","0.001","96.177","0.001","90.664","0.001","2394.5","0.3","569","2","569","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","rimonaban monohydrate","","- C22 H23 Cl3 N4 O2 -","- C22 H23 Cl3 N4 O2 -","- C88 H92 Cl12 N16 O8 -","4","2","","Fours, Baptiste; Cartigny, Yohann; Petit, Samuel; Coquerel, Gérard","Formation of new polymorphs without any nucleation step. Desolvation of the rimonabant monohydrate: directional crystallisation concomitant to smooth dehydration.","Faraday discussions","2015","179","","475","488","10.1039/c4fd00222a","","x-ray","0.71073","MoKα","","0.0928","0.0453","","","0.095","0.1072","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518538","7.2528","0.0004","12.6837","0.0006","14.9215","0.0008","106.95","0.002","99.766","0.002","99.208","0.003","1261.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 Cl3 Fe N5 O3 -","- C19 H33 Cl3 Fe N5 O3 -","- C38 H66 Cl6 Fe2 N10 O6 -","2","1","","Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane","Catal. Sci. Technol.","2015","5","3","1801","","10.1039/C4CY00888J","","","0.71069","MoKα","","0.0578","0.04","","","0.1073","0.1191","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518539","14.2575","0.0005","13.1713","0.0004","20.8636","0.0008","90","","108.856","0.004","90","","3707.7","0.2","100.05","0.1","100.05","0.1","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Kar, Sudeshna; Tai, Yian","Marked difference in self-assembly, morphology, and cell viability of positional isomeric dipeptides generated by reversal of sequence.","Soft matter","2015","11","7","1345","1351","10.1039/c4sm02537g","","x-ray","0.71073","MoKα","","0.043","0.0388","","","0.1026","0.106","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518540","7.8956","0.0004","9.6557","0.0003","14.916","0.0006","77.311","0.003","81.835","0.004","86.214","0.003","1097.43","0.08","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N2 O8 S2 -","- C18 H33 N2 O8 S2 -","- C36 H66 N4 O16 S4 -","2","1","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0528","0.0433","","0.0511","0.0461","0.0461","","","","","","1.0815","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518541","19.4827","0.0005","7.7013","0.0002","30.1416","0.0007","90","","101.758","0.002","90","","4427.61","0.19","175","","175","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","- C144 H264 N16 O64 S16 -","4","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0885","0.0746","","0.083","0.0767","0.0767","","","","","","1.0486","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518542","9.7673","0.0003","9.8143","0.0003","10.2046","0.0004","94.88","0.003","96.822","0.003","95.184","0.003","962.76","0.06","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C28.7552 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","- C28.7554 H49.5104 N8 O14 S4 -","1","0.5","","Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water","Chem. Sci.","2015","6","3","2079","","10.1039/C4SC03945A","","","0.71073","MoKα","","0.0675","0.0586","","0.0698","0.0649","0.0649","","","","","","0.9213","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518543","9.9404","0.0003","15.744","0.0004","17.7587","0.0004","90","","100.059","0.001","90","","2736.54","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C116 H152 Mo4 O20 -","2","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0719","0.0506","","","0.1186","0.1319","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518544","9.8343","0.0002","11.252","0.0002","15.714","0.0003","107","0.001","105.165","0.001","90.114","0.001","1599.14","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","- C58 H76 Mo2 O10 -","1","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","MM Quadruply Bonded Complexes Supported by Vinylbenzoate Ligands: Synthesis, Characterization, Photophysical Properties and Application as Synthons.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","3","1780","1791","10.1039/C4SC02542C","","x-ray","0.71073","MoKα","","0.0496","0.0378","","","0.0978","0.1038","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518545","11.8282","0.0014","12.449","0.0015","13.6005","0.0016","90","","90","","90","","2002.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 Cl Mo P3 -","- C14 H34 Cl Mo P3 -","- C56 H136 Cl4 Mo4 P12 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds","Chem. Sci.","2015","6","3","1859","","10.1039/C4SC03128H","","","0.71073","MoKα","","0.0926","0.055","","","0.0949","0.1069","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518546","6.453","0.0002","6.544","0.0002","6.7851","0.0002","107.752","0.001","97.132","0.001","107.192","0.001","253.356","0.014","123","","123","","","","","","","","see text","5","P 1","P 1","1","","","","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","- C9 H5 F3 Mo O3 -","1","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0381","0.0381","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518547","20.5911","0.0003","6.9325","0.0001","12.3919","0.0002","90","","117.372","0.001","90","","1570.87","0.04","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F3 Mo O3 -","- C6 H5 F3 Mo O3 -","- C48 H40 F24 Mo8 O24 -","8","1","","Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E.","Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation","Catal. Sci. Technol.","2015","5","4","2282","","10.1039/C4CY01604A","","x-ray","0.71073","MoKα","","0.0247","0.0194","","","0.0431","0.0448","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518548","14.6741","0.0009","15.8676","0.001","24.1918","0.0015","91.946","0.002","106.327","0.002","115.228","0.002","4812.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 -","- C44.7095 H22.262 Cl4 F14 N6 Na2 O7.218 -","- C178.838 H89.048 Cl16 F56 N24 Na8 O28.872 -","4","2","","Seifert, Sabine; Schmidt, David; Würthner, Frank","An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis","Chem. Sci.","2015","6","3","1663","","10.1039/C4SC03671A","","","1.54178","CuKα","","0.058","0.0485","","","0.1285","0.137","","","","","","1.016","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1518549","6.0103","0.0004","8.0802","0.0006","22.1231","0.0014","94.344","0.007","93.489","0.006","111.753","0.005","990.42","0.12","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki","Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl‒aromatic π-stacked structure","Polym. Chem.","2015","6","11","1932","","10.1039/C4PY01711K","","","1.54187","CuKα","","","0.1069","","","","0.3079","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518550","9.6559","0.0003","9.9869","0.0003","18.8822","0.0005","84.288","0.006","81.394","0.006","73.131","0.005","1719.86","0.1","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Merlani, Maia; Koyama, Yasuhito; Sato, Hiroyasu; Geng, Li; Barbakadze, Vakhtang; Chankvetadze, Bezhan; Nakano, Tamaki","Ring-opening polymerization of a 2,3-disubstituted oxirane leading to a polyether having a carbonyl‒aromatic π-stacked structure","Polym. Chem.","2015","6","11","1932","","10.1039/C4PY01711K","","","1.54187","CuKα","","","0.0522","","","","0.1585","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518551","9.2411","0.0005","9.6767","0.0005","13.9904","0.0007","95.234","0.003","97.155","0.003","95.662","0.003","1228.46","0.11","223","","223","","","","","","","","","7","P -1","-P 1","2","mandai1","","","- C14 H26 F6 Li N O10 S2 -","- C14 H26 F6 Li N O10 S2 -","- C28 H52 F12 Li2 N2 O20 S4 -","2","1","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","1.54178","CuKα","","0.0686","0.0631","","","0.1675","0.1733","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518552","9.4304","0.0018","16.507","0.003","18.079","0.003","66.416","0.006","78.33","0.008","81.019","0.008","2517.1","0.8","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H26 F6 K N O10 S2 -","- C14 H26 F6 K N O10 S2 -","- C56 H104 F24 K4 N4 O40 S8 -","4","2","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0695","","","","0.2051","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518553","8.838","0.003","9.535","0.003","11.379","0.004","81.162","0.009","78.012","0.009","79.457","0.009","915.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 F6 Li N O8 S2 -","- C10 H16 F6 Li N O8 S2 -","- C20 H32 F12 Li2 N2 O16 S4 -","2","1","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0424","","","","0.1248","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518554","8.7544","0.0011","8.9026","0.0013","9.1253","0.0017","113.587","0.005","95.75","0.006","106.568","0.0011","605.85","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 F6 K N O10 S2 -","- C14 H24 F6 K N2 O10 S2 -","- C14 H24 F6 K N2 O10 S2 -","1","0.5","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0613","","","","0.23","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518555","15.404","0.003","15.758","0.003","16.51","0.003","90","","90","","90","","4007.6","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H26 F6 K O6 P -","- C12 H26 F6 K O6 P -","- C96 H208 F48 K8 O48 P8 -","8","1","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0656","","","","0.1761","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518556","17.084","0.004","13.183","0.003","20.904","0.005","90","","105.027","0.003","90","","4547","1.8","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F6 K O7 P -","- C14 H30 F6 K O7 P -","- C112 H240 F48 K8 O56 P8 -","8","2","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.7107","MoKα","","","0.0903","","","","0.2446","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518557","6.65059","0.00012","6.89548","0.00017","18.4951","0.0003","81.559","0.0012","84.29","0.001","84.975","0.0014","832.52","0.03","108","","108","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 I Li O3 -","- C7 H4 I Li O3 -","- C28 H16 I4 Li4 O12 -","4","2","","Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).","The journal of physical chemistry. B","2015","119","4","1768","1777","10.1021/jp5112026","","","1.54187","CuKα","","","0.0762","","","","0.0932","","","","","","1.301","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518558","6.86202","0.00014","7.02675","0.00017","18.4262","0.0003","84.11","0.0013","82.711","0.0011","89.611","0.0014","876.62","0.03","107","","107","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 I Na O3 -","- C7 H4 I Na O3 -","- C28 H16 I4 Na4 O12 -","4","2","","Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).","The journal of physical chemistry. B","2015","119","4","1768","1777","10.1021/jp5112026","","","1.54187","CuKα","","0.0962","0.0825","","","0.194","0.2141","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518559","6.3689","","7.4984","","18.6977","","83.832","","83.446","","84.606","","878.942","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 I K O2.5 -","- C7 H4 I K O2.5 -","- C28 H16 I4 K4 O10 -","4","2","","Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).","The journal of physical chemistry. B","2015","119","4","1768","1777","10.1021/jp5112026","","","1.54187","CuKα","","0.086","0.0709","","","0.1843","0.1974","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518560","19.6879","0.0003","4.001","","12.0832","0.0002","90","","105.805","","90","","915.83","0.02","106","","106","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 I O3 Rb -","- C7 H4 I O3 Rb -","- C28 H16 I4 O12 Rb4 -","4","1","","Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).","The journal of physical chemistry. B","2015","119","4","1768","1777","10.1021/jp5112026","","","1.54187","CuKα","","0.0568","0.0559","","","0.1441","0.1445","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518561","19.6351","0.0003","4.13863","0.0001","12.4789","0.0002","90","","106.518","0.001","90","","972.22","0.03","119","","119","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cs I O3 -","- C7 H4 Cs I O3 -","- C28 H16 Cs4 I4 O12 -","4","1","","Endo, Manami; Nakane, Yuta; Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-Iodobenzoate) (M = Li(+), Na(+), K(+), Rb(+), and Cs(+)).","The journal of physical chemistry. B","2015","119","4","1768","1777","10.1021/jp5112026","","","1.54187","CuKα","","0.1074","0.1028","","","0.2447","0.248","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518562","12.476","0.002","8.8085","0.0015","23.896","0.004","90","","103.508","0.006","90","","2553.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F3 N2 O2 -","- C30 H23 F3 N2 O2 -","- C120 H92 F12 N8 O8 -","4","1","","Jeżewski, Artur; Hammann, Tommy; Cywiński, Piotr J; Gryko, Daniel T.","Optical Behavior of Substituted 4-(2'-Hydroxyphenyl)imidazoles.","The journal of physical chemistry. B","2015","119","6","2507","2514","10.1021/jp507992x","","","1.54178","CuKα","","0.2977","0.0813","","","0.0609","0.102","","","","","","0.928","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518563","16.6424","0.0006","9.314","0.0003","17.808","0.0007","90","","99.221","0.002","90","","2724.7","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 F6 N4 O5 -","- C60 H48 F6 N4 O5 -","- C120 H96 F12 N8 O10 -","2","0.5","","Jeżewski, Artur; Hammann, Tommy; Cywiński, Piotr J; Gryko, Daniel T.","Optical Behavior of Substituted 4-(2'-Hydroxyphenyl)imidazoles.","The journal of physical chemistry. B","2015","119","6","2507","2514","10.1021/jp507992x","","","1.54178","CuKα","","0.1677","0.1504","","","0.4373","0.4836","","","","","","1.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518564","7.6677","0.001","10.2755","0.0013","19.816","0.003","90","","90","","90","","1561.3","0.4","88","2","88","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H14 Br N -","- C21 H14 Br N -","- C84 H56 Br4 N4 -","4","1","","Dibble, David J.; Umerani, Mehran J.; Mazaheripour, Amir; Park, Young S.; Ziller, Joseph W.; Gorodetsky, Alon A.","An Aza-Diels‒Alder Route to Polyquinolines","Macromolecules","2015","48","3","557","","10.1021/ma5020726","","","0.71073","MoKα","","0.0183","0.0177","","","0.046","0.0463","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518565","12.483","0.0003","12.4917","0.0003","14.6608","0.0004","71.195","0.001","68.259","0.001","69.138","0.001","1935.93","0.09","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","2","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.0832","0.0561","","","0.1498","0.1852","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518566","13.1285","0.0008","8.9817","0.0005","17.2111","0.001","90","","107.754","0.003","90","","1932.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.1013","0.0704","","","0.1967","0.2382","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518567","8.9945","0.0002","12.4644","0.0002","17.7143","0.0003","90","","90","","90","","1985.97","0.06","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C96 H88 Br4 N4 O12 -","4","1","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.027","0.0257","","","0.0686","0.0696","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518568","10.9519","0.0005","18.6953","0.0007","14.864","0.0006","90","","100.907","0.003","90","","2988.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 N5 O8 S -","- C31 H37 N5 O8 S -","- C124 H148 N20 O32 S4 -","4","2","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0692","0.0591","","","0.1409","0.1474","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518569","6.6977","0.0007","8.9166","0.001","11.8671","0.0013","97.4234","0.0016","102.013","0.0016","108.163","0.0015","644.13","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0485","0.038","","","0.0969","0.1017","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518570","9.0807","0.0002","9.5935","0.0002","12.844","0.0002","90","","90","","90","","1118.91","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0242","0.0241","","","0.0629","0.063","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518571","7.0255","0.0007","8.3274","0.0008","8.5054","0.0008","64.8193","0.0014","75.8585","0.0015","86.3999","0.0015","436.19","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0375","0.0335","","","0.0852","0.0879","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518572","16.694","0.0011","9.6688","0.0007","18.2592","0.0013","90","","101.972","0.0011","90","","2883.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0437","0.0365","","","0.0925","0.0956","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518573","10.359","0.003","8.616","0.002","22.998","0.005","90","","98.931","0.014","90","","2027.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O4 -","- C25 H20 N2 O4 -","- C100 H80 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0836","0.0545","","","0.133","0.1563","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518574","8.5149","0.0001","11.4869","0.0002","11.4981","0.0002","90.53","0.001","111.599","0.001","91.352","0.001","1045.17","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0432","0.04","","","0.1093","0.1133","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518575","8.1999","0.0005","23.636","0.0014","10.7112","0.0006","90","","97.847","0.003","90","","2056.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0422","0.0389","","","0.1026","0.1056","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518576","15.0058","0.0002","16.0652","0.0002","9.235","0.0001","90","","90","","90","","2226.29","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0424","0.0393","","","0.1126","0.1165","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518577","13.7112","0.0003","7.9341","0.0002","22.1644","0.0005","90","","101.626","0.001","90","","2361.71","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O4 S -","- C26 H21 N3 O4 S -","- C104 H84 N12 O16 S4 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0411","0.038","","","0.1046","0.1089","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518578","12.2086","0.0002","8.2983","0.0001","20.1576","0.0004","90","","94.952","0.001","90","","2034.56","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 -","- C25 H22 N2 O5 -","- C100 H88 N8 O20 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0403","0.0358","","","0.1031","0.111","","","","","","0.844","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518579","25.4401","0.0006","25.4401","0.0006","14.9071","0.0004","90","","90","","90","","9647.9","0.4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C400 H304 N48 O64 -","16","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0738","0.0448","","","0.1433","0.1747","","","","","","0.638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518580","8.2122","0.0001","14.1107","0.0003","17.9598","0.0003","100.563","0.001","95.565","0.001","90.101","0.001","2035.86","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","2","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.055","0.0444","","","0.1134","0.1207","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518581","10.68","0.002","10.806","0.002","12.352","0.003","90","","107.01","0.03","90","","1363.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","2","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.1563","0.0782","","","0.1602","0.1916","","","","","","0.997","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518582","6.5754","0.0013","10.311","0.002","11.071","0.002","90","","95.19","0.03","90","","747.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.0874","0.0513","","","0.1237","0.1395","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518583","8.0591","0.0004","9.6081","0.0005","15.5767","0.0008","90","","90","","90","","1206.14","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.","Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.","Organic letters","2015","17","3","461","463","10.1021/ol503531n","","","0.71073","MoKα","","0.0355","0.0331","","","0.0893","0.0915","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518584","8.4438","0.0002","10.9189","0.0003","32.745","0.002","90","","95.201","0.007","90","","3006.6","0.2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br N O2 P -","- C32 H33 Br N O2 P -","- C128 H132 Br4 N4 O8 P4 -","4","1","","Barrett, Kimberly T.; Miller, Scott J.","Regioselective derivatizations of a tribrominated atropisomeric benzamide scaffold.","Organic letters","2015","17","3","580","583","10.1021/ol503593y","","","1.54187","CuKα","","0.0821","0.0532","","","0.1115","0.1185","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518585","9.848","0.0004","24.3169","0.0011","15.0477","0.001","90","","104.667","0.007","90","","3486.1","0.3","223","","223","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Au Br Cl3 N O2 P -","- C33 H35 Au Br Cl3 N O2 P -","- C132 H140 Au4 Br4 Cl12 N4 O8 P4 -","4","1","","Barrett, Kimberly T.; Miller, Scott J.","Regioselective derivatizations of a tribrominated atropisomeric benzamide scaffold.","Organic letters","2015","17","3","580","583","10.1021/ol503593y","","","0.71075","MoKα","","0.0754","0.0571","","","0.1116","0.1171","","","","","","1.241","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518586","16.1723","0.0013","24.7158","0.0017","24.1251","0.0018","90","","90.474","0.003","90","","9642.7","1.2","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60.5 H56 N4 O6 -","- C60.5 H56 N4 O6 -","- C484 H448 N32 O48 -","8","2","","Liu, Lei; Carroll, Patrick J.; Kozlowski, Marisa C.","Vanadium-catalyzed regioselective oxidative coupling of 2-hydroxycarbazoles.","Organic letters","2015","17","3","508","511","10.1021/ol503521b","","","0.71073","MoKα","","0.0863","0.0735","","","0.1673","0.1763","","","","","","1.052","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518587","18.6991","0.0013","16.4217","0.001","21.8753","0.0015","90","","90","","90","","6717.3","0.8","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C224 H368 Cl8 Co8 I8 N16 P16 Ti8 -","4","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0369","0.0246","","0.0573","0.0524","0.0573","","","","","","0.9674","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518588","9.0138","0.0007","18.8395","0.0013","21.5085","0.0016","90","","90.54","0.004","90","","3652.3","0.5","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Cl Co N2 P3 Ti -","- C31 H55 Cl Co N2 P3 Ti -","- C124 H220 Cl4 Co4 N8 P12 Ti4 -","4","1","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0835","0.0584","","0.182","0.1454","0.182","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518589","12.5912","0.0005","13.4571","0.0005","13.5956","0.0005","110.682","0.0017","94.623","0.002","117.15","0.0016","1835.07","0.13","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","- C68 H104 Co2 I2 N4 O2 P4 Ti2 -","1","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.042","0.0327","","0.089","0.0833","0.089","","","","","","0.9919","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518590","3.5452","0.0004","14.0087","0.0015","14.249","0.0015","109.292","0.003","91.673","0.003","91.322","0.002","667.23","0.13","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","Au_B","","","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","- C24 H16 Au2 F8 N4 O2 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","0.71073","MoKα","","0.059","0.0473","","","0.1055","0.1165","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518591","3.5707","0.0003","10.3087","0.001","14.2742","0.0011","107.689","0.004","92.505","0.005","100.205","0.005","489.99","0.07","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","Au_G","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","1","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","","x-ray","1.54186","CuKα","","0.1134","0.1008","","","0.2546","0.2713","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518592","7.79058","0.00018","18.7202","0.0005","6.74157","0.00017","90","","103.167","0.0033","90","","957.35","0.04","293","","293","","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","Au_Y","","","- C18 H4 Au2 F8 N4 -","- C18 H4 Au2 F8 N4 -","- C36 H8 Au4 F16 N8 -","2","0.5","","Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime","Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence","Chem. Sci.","2015","6","4","2187","","10.1039/C4SC03960B","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.02738","","3.96","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518593","10.264","0.005","16.311","0.005","19.425","0.005","103.753","0.005","105.008","0.005","93.129","0.005","3027.6","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H51 Ir P2 -","- C30 H51 Ir P2 -","- C120 H204 Ir4 P8 -","4","2","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71069","MoKα","","0.0518","0.035","","","0.0824","0.0915","","","","","","1.222","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518594","17.003","0.0005","20.0591","0.0005","9.4403","0.0003","90","","102.986","0.003","90","","3137.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Ir O P2 -","- C31 H54 Ir O P2 -","- C124 H216 Ir4 O4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","","","0.1124","0.0572","","","0.0981","0.1144","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518595","11.4108","0.001","13.6574","0.0012","17.7933","0.0015","90","","104.097","0.008","90","","2689.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl Ir P2 -","- C24 H46 Cl Ir P2 -","- C96 H184 Cl4 Ir4 P8 -","4","1","","Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F.","Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex","Chem. Sci.","2015","6","3","2060","","10.1039/C4SC03839H","","","0.71073","MoKα","","0.0336","0.026","","","0.0694","0.0788","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518596","9.2062","0.0007","16.7452","0.0012","17.6319","0.0014","90","","101.286","0.003","90","","2665.6","0.4","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 F4 P2 -","- C34 H26 F4 P2 -","- C136 H104 F16 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1251","0.0602","","","0.1335","0.1615","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518597","21.0973","0.0018","8.3882","0.0007","6.3567","0.0005","90","","102.383","0.003","90","","1098.76","0.16","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H22 F4 P2 -","- C25 H22 F4 P2 -","- C50 H44 F8 P4 -","2","0.5","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0318","0.0277","","","0.0639","0.066","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518598","8.4256","0.0012","21.123","0.003","13.804","0.002","90","","95.055","0.007","90","","2447.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H26 B F21 P2 -","- C58 H26 B F21 P2 -","- C116 H52 B2 F42 P4 -","2","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.1033","0.048","","","0.0713","0.0852","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518599","18.8002","0.0009","17.1372","0.001","17.8001","0.0009","90","","102.564","0.002","90","","5597.6","0.5","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59.25 H28.5 B Cl2.5 F23 P2 -","- C58 H26 B F23 P2 -","- C232 H104 B4 F92 P8 -","4","1","","Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.","Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines","Chem. Sci.","2015","6","3","2016","","10.1039/C5SC00051C","","","0.71073","MoKα","","0.0762","0.0458","","","0.1071","0.117","","","","","","0.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518604","11.9997","0.0004","12.0093","0.0004","16.8043","0.0005","90","","90","","90","","2421.63","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 Si -","- C23 H38 N2 O2 Si -","- C92 H152 N8 O8 Si4 -","4","1","","Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P.","Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2196","2201","10.1039/C4SC03991B","","","0.71073","MoKα","","0.0358","0.0339","","","0.108","0.1087","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518605","11.2159","0.0007","12.555","0.0008","18.1382","0.0012","70.206","0.003","85.323","0.003","67.45","0.002","2216.1","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","- C83 H82 F24 N12 O5 P4 Ru2 -","1","0.5","","Griepenburg, J. C.; Rapp, T. L.; Carroll, P. J.; Eberwine, J.; Dmochowski, I. J.","Ruthenium-Caged Antisense Morpholinos for Regulating Gene Expression in Zebrafish Embryos.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2342","2346","10.1039/C4SC03990D","","","0.71073","MoKα","","0.0292","0.0266","","","0.063","0.0655","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518609","19.6176","0.0012","7.5992","0.0005","25.2231","0.0015","90","","93.7263","0.0019","90","","3752.3","0.4","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 F6 N3 P S2 Se4 -","- C35 H28 F6 N3 P S2 Se4 -","- C140 H112 F24 N12 P4 S8 Se16 -","4","1","","Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R.","Extreme red shifted SERS nanotags","Chem. Sci.","2015","6","4","2302","","10.1039/C4SC03917C","","x-ray","0.71073","MoKα","","0.0911","0.0513","","","0.0967","0.1075","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518610","9.6321","0.0001","11.0943","0.0001","14.7022","0.0001","67.862","0.001","79.883","0.001","69.219","0.001","1359","0.02","223","2","223","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0397","0.038","","","0.1009","0.1029","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518611","19.1157","0.0009","5.7556","0.0003","29.6669","0.0011","90","","108.002","0.003","90","","3104.2","0.3","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank","C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C","Chem. Sci.","2015","6","3","1816","","10.1039/C4SC03051F","","","1.54178","CuKα","","0.0792","0.0497","","","0.1229","0.1448","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518612","8.7261","0.0001","31.0122","0.0006","9.6085","0.0001","90","","111.319","0.0014","90","","2422.29","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 F2 N P Pt -","- C27 H36 F2 N P Pt -","- C108 H144 F8 N4 P4 Pt4 -","4","1","","Vigalok, Arkadi","Electrophilic halogenation-reductive elimination chemistry of organopalladium and -platinum complexes.","Accounts of chemical research","2015","48","2","238","247","10.1021/ar500325x","","","0.71073","MoKα","","0.0615","0.0405","","","0.095","0.1056","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518613","8.8912","0.0013","16.859","0.003","11.238","0.0011","90","","108.555","0.008","90","","1597","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Bunescu, Ala; Piou, Tiffany; Wang, Qian; Zhu, Jieping","Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp(2))-H Bond Activation: Efficient Synthesis of [3,4]-Fused Oxindoles.","Organic letters","2015","17","2","334","337","10.1021/ol503442n","","","0.71073","MoKα","","0.0618","0.0459","","","0.1036","0.1152","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518614","8.922","0.0005","16.7585","0.0007","11.2263","0.0006","90","","108.038","0.006","90","","1596.05","0.15","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N O -","- C22 H16 F N O -","- C88 H64 F4 N4 O4 -","4","1","","Bunescu, Ala; Piou, Tiffany; Wang, Qian; Zhu, Jieping","Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp(2))-H Bond Activation: Efficient Synthesis of [3,4]-Fused Oxindoles.","Organic letters","2015","17","2","334","337","10.1021/ol503442n","","","1.54178","CuKα","","0.0432","0.0393","","","0.1017","0.1115","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518615","18.2078","0.0017","16.5273","0.0017","14.8317","0.0014","90","","98.447","0.003","90","","4414.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N4 Ni O2 -","- C52 H50 N4 Ni O2 -","- C208 H200 N16 Ni4 O8 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Chiral and achiral basket-handle porphyrins: short synthesis and stereostructures of these versatile building blocks.","Organic letters","2015","17","2","210","213","10.1021/ol503286s","","","0.71073","MoKα","","0.0795","0.0489","","","0.1191","0.1293","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518616","17.719","0.004","6.475","0.0014","22.501","0.005","90","","100.868","0.003","90","","2535.2","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Correction to p-Toluenesulfonic Acid Mediated 1,3-Dipolar Cycloaddition of Nitroolefins with NaN3 for Synthesis of 4-Aryl-NH-1,2,3-triazoles.","Organic letters","2015","17","2","393","","10.1021/ol503621y","","","0.71073","MoKα","","0.0471","0.0385","","","0.1088","0.1157","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518617","12.9116","0.0006","15.1292","0.0007","18.7417","0.0009","90","","90","","90","","3661","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N4 O8 S2 -","- C37 H36 Cl2 N4 O8 S2 -","- C148 H144 Cl8 N16 O32 S8 -","4","1","","Liang, Kangjiang; Deng, Xu; Tong, Xiaogang; Li, Dashan; Ding, Ming; Zhou, Ankun; Xia, Chengfeng","Copper-Mediated Dimerization to Access 3a,3a'-Bispyrrolidinoindoline: Diastereoselective Synthesis of (+)-WIN 64821 and (-)-Ditryptophenaline.","Organic letters","2015","17","2","206","209","10.1021/ol5032365","","","0.71073","MoKα","","0.0411","0.0339","","","0.0918","0.0969","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518618","9.8359","0.0019","10.161","0.002","10.307","0.002","76.557","0.012","73.136","0.013","64.754","0.01","884.6","0.3","173.15","","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Br N2 O -","- C20 H17 Br N2 O -","- C40 H34 Br2 N4 O2 -","2","2","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","0.71073","MoKα","","0.0349","0.032","","","0.0718","0.0739","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518619","10.5861","0.0003","10.618","0.0003","17.0439","0.0004","90","","90","","90","","1915.79","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","1.54178","CuKα","","0.0295","0.029","","","0.0751","0.0757","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518620","9.559","0.0013","9.3155","0.0013","15.051","0.002","90","","102.64","0.002","90","","1307.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B F2 N3 -","- C16 H10 B F2 N3 -","- C64 H40 B4 F8 N12 -","4","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0456","0.0382","","","0.1001","0.1079","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518621","7.7337","0.0007","19.0699","0.0017","9.655","0.0008","90","","105.059","0.001","90","","1375","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 B Cl F2 N3 -","- C16 H9 B Cl F2 N3 -","- C64 H36 B4 Cl4 F8 N12 -","4","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0455","0.037","","","0.1006","0.106","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518622","7.9215","0.0009","14.0077","0.0015","25.071","0.003","90","","102.609","0.003","90","","2714.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 B F2 N3 S -","- C15 H10 B F2 N3 S -","- C120 H80 B8 F16 N24 S8 -","8","2","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0845","0.0505","","","0.1314","0.1497","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518623","10.092","0.004","10.383","0.004","10.434","0.004","65.025","0.004","82.642","0.004","75.499","0.004","959.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B F2 N3 S -","- C22 H18 B F2 N3 S -","- C44 H36 B2 F4 N6 S2 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.1237","0.1159","","","0.418","0.4223","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518624","7.4838","0.0008","9.1552","0.001","11.5629","0.0012","79.781","0.001","71.778","0.001","67.825","0.001","695.26","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 B F2 N3 -","- C18 H10 B F2 N3 -","- C36 H20 B2 F4 N6 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0506","0.0423","","","0.119","0.1289","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518625","9.1788","0.0011","9.5551","0.0011","9.9844","0.0012","87.602","0.002","71.441","0.002","65.179","0.001","749.15","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 B Br F2 N3 -","- C18 H9 B Br F2 N3 -","- C36 H18 B2 Br2 F4 N6 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0507","0.0368","","","0.1003","0.1068","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518626","11.3331","0.0009","34.017","0.003","12.736","0.001","90","","109.159","0.001","90","","4638","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 B Br F2 N3 S -","- C24 H17 B Br F2 N3 S -","- C192 H136 B8 Br8 F16 N24 S8 -","8","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.1374","0.073","","","0.208","0.2366","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518627","15.6314","0.0015","21.884","0.002","11.7948","0.0012","90","","108.565","0.002","90","","3824.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","2","","Li, Lei; Zhao, Yu-Long; Wang, Qian; Lin, Tao; Liu, Qun","Base-Promoted Oxidative C-H Functionalization of α-Amino Carbonyl Compounds under Mild Metal-Free Conditions: Using Molecular Oxygen as the Oxidant.","Organic letters","2015","17","2","370","373","10.1021/ol503495h","","","0.71073","MoKα","","0.0722","0.0448","","","0.1044","0.1182","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518628","5.9315","0.0003","12.1005","0.0005","19.7","0.0008","90","","103.067","0.001","90","","1377.34","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido-(N,N-dimethyl(4-fluoro)benzylamine- κN,κC)(dimethylsulfoxide-κS)platinum(II)","","- C11 H17 Cl F N O Pt S -","- C11 H17 Cl F N O Pt S -","- C44 H68 Cl4 F4 N4 O4 Pt4 S4 -","4","1","","Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José","Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.","Journal of medicinal chemistry","2015","58","3","1320","1336","10.1021/jm501662b","","","0.71073","MoKα","","0.0236","0.0217","","","0.0526","0.0533","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518629","17.3951","0.0008","14.9557","0.0007","11.9109","0.0005","90","","98.576","0.002","90","","3064","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido-(N,N-dimethyl(4-methoxy)benzylamine- κN,κC)-tris(4-trifluoromethylphenyl)phosphane-platinum(II)","","- C31 H26 Cl F9 N O P Pt -","- C31 H26 Cl F9 N O P Pt -","- C124 H104 Cl4 F36 N4 O4 P4 Pt4 -","4","1","","Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José","Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.","Journal of medicinal chemistry","2015","58","3","1320","1336","10.1021/jm501662b","","","0.71073","MoKα","","0.0206","0.0185","","","0.0409","0.0418","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518630","9.67492","0.00011","14.41358","0.00014","20.6293","0.00017","90","","90","","90","","2876.76","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 O8 -","- C34 H38 O8 -","- C136 H152 O32 -","4","1","","Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication.","Journal of natural products","2015","78","3","500","509","10.1021/np500988m","","","1.54184","CuKα","","0.0347","0.0322","","","0.0809","0.0831","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518631","9.60332","0.00009","9.87431","0.0001","26.75","0.0002","90","","90","","90","","2536.6","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication.","Journal of natural products","2015","78","3","500","509","10.1021/np500988m","","","1.54184","CuKα","","0.0326","0.0315","","","0.0827","0.0836","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518632","10.8914","0.0002","10.9342","0.0002","11.4227","0.0002","90","","90","","90","","1360.32","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Del Valle, Paulina; Figueroa, Mario; Mata, Rachel","Phytotoxic Eremophilane Sesquiterpenes from the Coprophilous Fungus Penicillium sp. G1-a14.","Journal of natural products","2015","78","2","339","342","10.1021/np5009224","","","1.54178","CuKα","","0.0331","0.0329","","","0.0868","0.087","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518633","9.5489","0.0005","9.6991","0.0005","19.1473","0.001","90","","97.465","0.002","90","","1758.31","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Li, Ziyuan; Huang, Xiaoqiang; Chen, Feng; Zhang, Chun; Wang, Xiaoyang; Jiao, Ning","Cu-Catalyzed Concise Synthesis of Pyridines and 2-(1H)-Pyridones from Acetaldehydes and Simple Nitrogen Donors.","Organic letters","2015","17","3","584","587","10.1021/ol5035996","","","0.71073","MoKα","","0.0433","0.0333","","","0.0784","0.0854","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518634","6.3906","0.0003","7.7434","0.0003","38.9797","0.0017","90","","90","","90","","1928.91","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B F3 K N O -","- C20 H22 B F3 K N O -","- C80 H88 B4 F12 K4 N4 O4 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0252","0.024","","","0.0592","0.0596","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518635","8.447","0.0004","16.3195","0.0008","17.2927","0.0008","90","","90","","90","","2383.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 B F4 N2 O2 -","- C26 H29 B F4 N2 O2 -","- C104 H116 B4 F16 N8 O8 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0412","0.041","","","0.1083","0.1085","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518636","16.559","0.003","16.774","0.003","15.989","0.003","90","","115.658","0.008","90","","4003.2","1.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B3 N3 O7 -","- C46 H44 B3 N3 O7 -","- C184 H176 B12 N12 O28 -","4","1","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","0.71073","MoKα","","0.2341","0.0956","","","0.2482","0.3405","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518637","19.9798","0.0003","19.9798","0.0003","12.6217","0.0003","90","","90","","120","","4363.46","0.14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H24 B3 N3 O12 -","- C27 H24 B3 N3 O12 -","- C162 H144 B18 N18 O72 -","6","0.333333","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","1.54178","CuKα","","0.0742","0.0663","","","0.2386","0.2557","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518638","13.0661","0.0011","12.1247","0.0009","22.3242","0.0017","90","","98.251","0.006","90","","3500","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B3 Cl3 N3 O7 -","- C37 H33 B3 Cl3 N3 O7 -","- C148 H132 B12 Cl12 N12 O28 -","4","1","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","0.71073","MoKα","","0.3037","0.1742","","","0.3497","0.4257","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518639","13.3949","0.001","14.3478","0.0012","15.283","0.0012","90","","92.281","0.003","90","","2934.9","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B N O4 Si -","- C33 H40 B N O4 Si -","- C132 H160 B4 N4 O16 Si4 -","4","1","","Kubota, Koji; Iwamoto, Hiroaki; Yamamoto, Eiji; Ito, Hajime","Silicon-tethered strategy for copper(i)-catalyzed stereo- and regioselective alkylboration of alkynes.","Organic letters","2015","17","3","620","623","10.1021/ol503620n","","","0.71075","MoKα","","","0.097","","","","0.3491","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518640","9.272","0.005","15.087","0.008","26.669","0.014","75.828","0.011","88.836","0.013","88.885","0.012","3616","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O5 -","- C20 H22.25 N2 O5 -","- C160 H178 N16 O40 -","8","4","","Zhong, Xue; Li, You; Zhang, Jing; Han, Fu-She","Synthetic Study toward the Misassigned (±)-Tronoharine.","Organic letters","2015","17","3","720","723","10.1021/ol503734x","","","0.71073","MoKα","","0.3073","0.074","","","0.0831","0.1209","","","","","","0.781","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518641","8.2569","0.0007","11.5402","0.001","15.727","0.0014","90","","102.251","0.001","90","","1464.4","0.2","185","2","185","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Zhong, Xue; Li, You; Zhang, Jing; Han, Fu-She","Synthetic Study toward the Misassigned (±)-Tronoharine.","Organic letters","2015","17","3","720","723","10.1021/ol503734x","","","0.71073","MoKα","","0.0507","0.0414","","","0.0915","0.0964","","","","","","1.033","","","","has coordinates","201370","2020-10-21","18:00:00",""
"1518642","9.562","0.0005","10.2591","0.0006","10.618","0.0003","87.713","0.004","85.512","0.004","88.206","0.005","1037.16","0.09","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","2","","Kratochvíl, Jiří; Novák, Zdeněk; Ghavre, Mukund; Nováková, Lucie; Růžička, Aleš; Kuneš, Jiří; Pour, Milan","Fully Substituted Pyranones via Quasi-Heterogeneous Genuinely Ligand-Free Migita-Stille Coupling of Iodoacrylates.","Organic letters","2015","17","3","520","523","10.1021/ol5035113","","","0.71073","MoKα","","0.0658","0.0465","","","0.1018","0.1154","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518643","8.964","0.004","12.046","0.004","16.315","0.007","90","","90","","90","","1761.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan","Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.","Organic letters","2015","17","3","672","675","10.1021/ol5036968","","","0.71073","MoKα","","0.1216","0.0486","","","0.1067","0.1361","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518644","6.345","0.0014","11.725","0.003","13.3","0.003","67.812","0.003","80.532","0.003","84.005","0.003","902.7","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan","Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.","Organic letters","2015","17","3","672","675","10.1021/ol5036968","","","0.71073","MoKα","","0.0663","0.0468","","","0.1351","0.1589","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518645","12.8948","0.0011","9.7854","0.0008","18.3889","0.0016","90","","94.667","0.006","90","","2312.6","0.3","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C96 H140 N12 O8 -","4","2","","Li, Xun; Taechalertpaisarn, Jaru; Xin, Dongyue; Burgess, Kevin","Protein-Protein Interface Mimicry by an Oxazoline Piperidine-2,4-dione.","Organic letters","2015","17","3","632","635","10.1021/ol5036547","","x-ray","1.54178","CuKα","","0.1065","0.0694","","","0.1565","0.1819","","","","","","1.041","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518646","9.052","0.0001","19.871","0.0003","22.2031","0.0003","90","","90","","90","","3993.72","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O7 Si2 -","- C34 H57 N2 O7 Si2 -","- C136 H228 N8 O28 Si8 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0614","0.0565","","","0.163","0.1692","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518647","18.0919","0.0007","10.7097","0.0004","18.935","0.0007","90","","107.979","0.002","90","","3489.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O7 Si -","- C33 H44 N2 O7 Si -","- C132 H176 N8 O28 Si4 -","4","2","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","0.71073","MoKα","","0.1851","0.0874","","","0.1825","0.2369","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518648","11.0538","0.0002","12.5835","0.0002","15.8359","0.0002","90","","90","","90","","2202.7","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O7 -","- C22 H28 N2 O7 -","- C88 H112 N8 O28 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0403","0.0378","","","0.1068","0.1102","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518649","8.9854","0.0003","18.5028","0.0005","9.4678","0.0003","90","","109.249","0.002","90","","1486.07","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Ramella, Vincenzo; He, Zhiheng; Daniliuc, Constantin G.; Studer, Armido","Palladium-catalyzed diastereoselective oxyarylation of 2-alkylindoles.","Organic letters","2015","17","3","664","667","10.1021/ol503689r","","","1.54178","CuKα","","0.041","0.0398","","","0.1035","0.1048","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518650","8.5929","0.0002","9.9207","0.0003","13.6227","0.0006","73.585","0.001","78.745","0.001","86.593","0.001","1092.53","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N O4 -","- C25 H22 Cl N O4 -","- C50 H44 Cl2 N2 O8 -","2","1","","Ramella, Vincenzo; He, Zhiheng; Daniliuc, Constantin G.; Studer, Armido","Palladium-catalyzed diastereoselective oxyarylation of 2-alkylindoles.","Organic letters","2015","17","3","664","667","10.1021/ol503689r","","","0.71073","MoKα","","0.0834","0.0635","","","0.1189","0.1326","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518651","7.6192","0.0007","12.0803","0.0011","14.0233","0.0012","90","","102.158","0.001","90","","1261.8","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O2 -","- C31 H27 N3 O2 -","- C62 H54 N6 O4 -","2","1","","Pertejo, Pablo; Corres, Nazaret; Torroba, Tomás; García-Valverde, María","Reversal of Diastereoselectivity in the Synthesis of Peptidomimetic 3-Carboxamide-1,4-benzodiazepin-5-ones.","Organic letters","2015","17","3","612","615","10.1021/ol503628r","","","0.71073","MoKα","","0.0392","0.0381","","","0.1007","0.102","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518652","11.3323","0.0004","8.5548","0.0003","14.1288","0.0005","90","","92.453","0.001","90","","1368.47","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O7 -","- C30 H38 N2 O7 -","- C60 H76 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.056","0.0552","","","0.1521","0.1529","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518653","13.4499","0.0006","7.46","0.0004","14.9726","0.0007","90","","104.948","0.002","90","","1451.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O7 -","- C32 H36 N2 O7 -","- C64 H72 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.1064","0.0907","","","0.2211","0.2412","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518654","13.4566","0.0003","8.18811","0.00015","19.1862","0.0004","90","","100.629","0.0007","90","","2077.74","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H59 F3 O10 -","- C42 H59 F3 O10 -","- C84 H118 F6 O20 -","2","1","","Inahashi, Yuki; Iwatsuki, Masato; Ishiyama, Aki; Matsumoto, Atsuko; Hirose, Tomoyasu; Oshita, Jun; Sunazuka, Toshiaki; Panbangred, Watanalai; Takahashi, Yoko; Kaiser, Marcel; Otoguro, Kazuhiko; O̅mura, Satoshi","Actinoallolides A-E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036.","Organic letters","2015","17","4","864","867","10.1021/ol5037216","","","1.54187","CuKα","","","0.0279","","","","0.0702","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518655","11.9124","0.0016","7.5041","0.001","14.67","0.002","90","","111.533","0.005","90","","1219.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.117","0.0543","","","0.1187","0.1399","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518656","6.9373","0.0006","8.2261","0.0007","9.7516","0.0008","85.814","0.004","78.171","0.004","89.197","0.004","543.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.0378","0.0359","","","0.1014","0.1033","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518657","7.9667","0.0003","8.6666","0.0004","9.6847","0.0004","109.198","0.002","107.554","0.002","92.006","0.002","595.36","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H11 N5 -","- C14 H11 N5 -","- C28 H22 N10 -","2","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.1012","0.0557","","","0.1267","0.1462","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518658","8.2102","0.0016","6.2167","0.0012","14.102","0.003","90","","90.69","0.03","90","","719.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Lou, Yan-Peng; Zheng, Chang-Wu; Pan, Ren-Ming; Jin, Qiao-Wen; Zhao, Gang; Li, Zhong","Enantioselective Direct Mannich Reactions of Cyclic β-Ketoesters Catalyzed by Chiral Phosphine via a Novel Dual-Reagent Catalysis.","Organic letters","2015","17","3","688","691","10.1021/ol503712m","","","1.54178","CuKα","","0.0374","0.0373","","","0.0975","0.0976","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518659","9.5704","0.0013","11.7332","0.0016","21.056","0.003","90","","97.692","0.003","90","","2343.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br O S2 Se -","- C25 H23 Br O S2 Se -","- C100 H92 Br4 O4 S8 Se4 -","4","1","","Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.","Organic letters","2015","17","4","868","871","10.1021/ol503731s","","","0.71073","MoKα","","0.0589","0.0349","","","0.0716","0.0799","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518660","10.5963","0.0005","16.7072","0.0009","10.9555","0.0006","90","","95.184","0.005","90","","1931.57","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O2 S2 -","- C20 H21 F O2 S2 -","- C80 H84 F4 O8 S8 -","4","1","","Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.","Organic letters","2015","17","4","868","871","10.1021/ol503731s","","","0.71073","MoKα","","0.0622","0.0422","","","0.1018","0.1156","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518661","20.159","0.002","5.0166","0.0005","25.728","0.003","90","","109.164","0.004","90","","2457.7","0.5","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 S4 -","- C64 H48 S4 -","- C128 H96 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0948","0.0572","","","0.1149","0.1318","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518662","20.1","0.002","5.1652","0.0004","25.159","0.003","90","","109.501","0.006","90","","2462.2","0.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 S4 -","- C65 H50 S4 -","- C130 H100 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.71075","MoKα","","0.0457","0.0415","","","0.1033","0.106","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518663","7.6706","0.0011","17.4871","0.0015","20.506","0.003","90","","100.272","0.005","90","","2706.5","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Cl2 S4 -","- C68 H56 Cl2 S4 -","- C136 H112 Cl4 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","0.7107","MoKα","","0.0407","0.0376","","","0.1141","0.1202","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518664","21.43","0.005","5.2798","0.0012","24.95","0.006","90","","111.599","0.005","90","","2624.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.1559","0.0801","","","0.2251","0.2686","","","","","","0.887","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518665","20.0834","0.0007","5.2324","0.0002","24.6005","0.0008","90","","109.019","0.0015","90","","2444.01","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 S4 -","- C66 H52 S4 -","- C132 H104 S8 -","2","0.5","","Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro","Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations","Chem. Sci.","2015","6","4","2354","","10.1039/C4SC03849E","","","1.54187","CuKα","","0.0821","0.0635","","","0.1681","0.1873","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518666","14.5029","0.0006","8.9034","0.0004","14.9927","0.0006","90","","97.26","0.001","90","","1920.41","0.14","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(dmpe)SbF][OTf]2","","- C8 H16 F7 O6 P2 S2 Sb -","- C8 H16 F7 O6 P2 S2 Sb -","- C32 H64 F28 O24 P8 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0269","0.0214","","","0.0473","0.049","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518667","11.4789","0.0003","11.9874","0.0003","26.0864","0.0007","91.82","0.001","97.564","0.001","112.074","0.001","3284.57","0.15","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","[(Me3P)3(nacnac)Sb4][OTf]3","","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C43 H71 F9 N3 O9 P3 S3 Sb4 -","- C86 H142 F18 N6 O18 P6 S6 Sb8 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0565","0.0405","","","0.1047","0.1174","","","","","","1.173","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518668","23.986","0.016","21.83","0.014","22.193","0.015","90","","106.57","0.014","90","","11138","13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(Et3P)4Sb4][OTf]4","","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 -","- C232 H492 F96 N4 O96 P32 S32 Sb32 -","8","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0626","0.056","","","0.1447","0.1485","","","","","","1.225","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518669","12.3127","0.0004","17.4575","0.0006","17.0214","0.0006","90","","91.03","0.002","90","","3658.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(nacnac)Sb(OTf)2","","- C31 H41 F6 N2 O6 S2 Sb -","- C31 H41 F6 N2 O6 S2 Sb -","- C124 H164 F24 N8 O24 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","","0.71073","MoKα","","0.0362","0.0271","","","0.0635","0.0684","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518670","10.2147","0.0007","8.6511","0.0006","11.0323","0.0007","90","","94.5503","0.0008","90","","971.83","0.11","173","2","173.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[FPMe3][OTf]","","- C4 H9 F4 O3 P S -","- C4 H9 F4 O3 P S -","- C16 H36 F16 O12 P4 S4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0869","0.0888","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518671","13.4271","0.0009","11.8532","0.0008","15.7504","0.0011","90","","110.993","0.001","90","","2340.4","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Et3PPEt3][OTf]2","","- C14 H30 F6 O6 P2 S2 -","- C14 H30 F6 O6 P2 S2 -","- C56 H120 F24 O24 P8 S8 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland","Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes","Chem. Sci.","2015","6","4","2559","","10.1039/C4SC03939D","","x-ray","0.71073","MoKα","","0.0538","0.0372","","","0.0875","0.0961","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518672","11.1445","0.0001","12.0548","0.0001","14.8726","0.0002","67.197","0.006","84.942","0.006","67.025","0.006","1691.09","0.12","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C27 H24 Cl5 F6 N5 O P2 Ru -","- C54 H48 Cl10 F12 N10 O2 P4 Ru2 -","2","1","","Walden, Andrew G.; Miller, Alexander J. M.","Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide","Chem. Sci.","2015","6","4","2405","","10.1039/C5SC00032G","","","1.54178","CuKα","","0.0458","0.0383","","","0.0898","0.094","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518673","13.6507","0.0006","10.3032","0.0003","13.9805","0.0006","90","","109.803","0.005","90","","1850.02","0.14","296","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H48 N2 O9 S -","- C33 H48 N2 O9 S -","- C66 H96 N4 O18 S2 -","2","1","","Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei","Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions","Catal. Sci. Technol.","2015","5","4","2065","","10.1039/C5CY00013K","","","0.71073","MoKα","","0.1119","0.0653","","","0.1717","0.1906","","","","","","0.918","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1518674","12.3155","0.0007","15.9288","0.0008","19.2346","0.001","79.609","0.004","87.992","0.004","81.295","0.004","3668.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H71 Cl2 N3 Pd -","- C75 H71 Cl2 N3 Pd -","- C150 H142 Cl4 N6 Pd2 -","2","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","1.54178","CuKα","","0.0767","0.0605","","","0.1593","0.1685","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518675","35.0018","0.0017","11.2158","0.0005","15.2054","0.001","90","","111.789","0.008","90","","5542.8","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(IMes)PdCl2(TEA)","","- C27 H39 Cl2 N3 Pd -","- C27 H39 Cl2 N3 Pd -","- C216 H312 Cl16 N24 Pd8 -","8","1","","Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar","Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts","Catal. Sci. Technol.","2015","5","3","1447","","10.1039/C5CY00058K","","","0.71075","MoKα","","0.0764","0.0486","","","0.0994","0.1121","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518676","7.8451","0.0006","10.8055","0.001","41.681","0.003","90","","92.188","0.005","90","","3530.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O2 Si -","- C17 H25 N O2 Si -","- C136 H200 N8 O16 Si8 -","8","2","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.1392","0.1006","","","0.2419","0.2672","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518677","9.4678","0.0014","22.465","0.003","8.4857","0.0014","90","","94.892","0.015","90","","1798.3","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O S -","- C19 H19 Cl2 N O S -","- C76 H76 Cl8 N4 O4 S4 -","4","1","","Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming","Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams","Chem. Sci.","2015","6","4","2275","","10.1039/C5SC00092K","","","0.71073","MoKα","","0.0797","0.0646","","","0.1837","0.1993","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518680","9.5684","0.0003","16.352","0.0005","13.9609","0.0004","90","","95.255","0.003","90","","2175.18","0.11","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(o-Cy2PC6H4SO3)Ni(allyl)] (1c)","","- C21 H31 Ni O3 P S -","- C21 H31 Ni O3 P S -","- C84 H124 Ni4 O12 P4 S4 -","4","1","","Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle","Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts","Polym. Chem.","2015","6","14","2669","","10.1039/C5PY00010F","","","0.71073","MoKα","","0.0418","0.0332","","","0.0814","0.0859","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518681","24.5629","0.0003","15.6599","0.0002","11.5597","0.0001","90","","90","","90","","4446.47","0.09","291","2","291","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[(o-Cy2-PC6H4SO3B(C6F5)3)Ni(allyl)]","","- C46 H39 B F15 Ni O3 P S -","- C46 H39 B F15 Ni O3 P S -","- C184 H156 B4 F60 Ni4 O12 P4 S4 -","4","1","","Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle","Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts","Polym. Chem.","2015","6","14","2669","","10.1039/C5PY00010F","","","1.54184","CuKα","","0.0355","0.0332","","","0.0906","0.0937","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518682","10.8738","0.0006","10.8738","0.0006","10.8738","0.0006","90","","90","","90","","1285.71","0.12","293","","293","","","","","","","","synthesised","4","F m -3 m","-F 4 2 3","225","Hexammine nickel nitrate","Hexa-ammine nickel nitrate","","- H18 N8 Ni O6 -","- H18 N8 Ni O6 -","- H72 N32 Ni4 O24 -","4","0.0208333","","Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.","Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation","Journal of Crystal Growth","2015","412","","1","","10.1016/j.jcrysgro.2014.11.021","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0464","0.0181","","0.0197","0.015","","","","1.03","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518683","5.7531","0.0003","7.6604","0.0004","11.4876","0.0006","106.347","0.002","98.45","0.002","101.538","0.002","464.73","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- H12 N2 Ni O12 -","- H12 N2 Ni O12 -","- H24 N4 Ni2 O24 -","2","1","","Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.","Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation","Journal of Crystal Growth","2015","412","","1","","10.1016/j.jcrysgro.2014.11.021","","x-ray","0.71073","MoKα","","0.0425","0.0391","","","0.1015","0.1032","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518684","5.8056","0.0002","7.7023","0.0003","11.6864","0.0004","105.841","0.002","98.451","0.002","102.203","0.002","479.59","0.03","295","2","295","2","","","","","","","commercial","4","P -1","-P 1","2","","","","- H12 N2 Ni O12 -","- H12 N2 Ni O12 -","- H24 N4 Ni2 O24 -","2","1","","Breternitz, Joachim; Farrugia, Louis J.; Godula-Jopek, Agata; Saremi-Yarahmadi, Sina; Malka, Iwona E.; Hoang, Tuan K.A.; Gregory, Duncan H.","Reaction of [Ni(H2O)6](NO3)2 with gaseous NH3; crystal growth via in-situ solvation","Journal of Crystal Growth","2015","412","","1","","10.1016/j.jcrysgro.2014.11.021","","x-ray","0.71073","MoKα","","0.0351","0.0343","","","0.0955","0.096","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518685","18.809","0.01","10.08","0.005","20.725","0.011","90","","90","","90","","3929","4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C52 H48 N4 O4 -","- C52 H48 N4 O4 -","- C208 H192 N16 O16 -","4","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.0366","0.0309","","","0.071","0.0741","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518686","9.8315","0.0017","14.743","0.003","21.249","0.004","101.193","0.002","91.334","0.002","94.028","0.002","3011.8","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H66 Cl6 N4 O12 -","- C62 H66 Cl6 N4 O12 -","- C124 H132 Cl12 N8 O24 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.0592","0.0427","","","0.1042","0.1135","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518687","11.12","0.003","14.029","0.004","20.02","0.006","108.726","0.004","98.537","0.004","94.981","0.004","2894.8","1.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H70 N4 O16 -","- C63 H70 N4 O16 -","- C126 H140 N8 O32 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.1056","0.0618","","","0.1532","0.1783","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518711","13.3435","0.001","7.2491","0.0005","15.3576","0.0009","90","","92.261","0.006","90","","1484.36","0.17","290.04","0.1","290.04","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Peng, Jin-Bao; Qi, Yue; Jing, Ze-Ran; Wang, Shao-Hua; Tu, Yong-Qiang; Zhu, Dao-Yong; Zhang, Fu-Min","Efficient Oxa-Diels‒Alder/Semipinacol Rearrangement/Aldol Cascade Reaction: Short Approach to Polycyclic Architectures","Organic Letters","2015","","","150209135056006","","10.1021/acs.orglett.5b00125","","","0.71073","MoKα","","0.0753","0.0572","","","0.1401","0.1554","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518712","6.0078","0.0002","15.1366","0.0005","20.0221","0.0007","90","","90","","90","","1820.76","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0366","0.0358","","","0.0964","0.0974","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518713","6.2097","0.0001","14.9142","0.0002","23.193","0.0003","90","","90","","90","","2147.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F3 O3 -","- C23 H27 F3 O3 -","- C92 H108 F12 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0416","0.0407","","","0.1058","0.1067","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518714","6.9163","0.0014","23.66","0.004","11.8396","0.0019","90","","97.078","0.009","90","","1922.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-benzylammonium)ruthenium(II)","","- C14 H26 Cl3 N4 O P Ru -","- C14 H26 Cl3 N4 O P Ru -","- C56 H104 Cl12 N16 O4 P4 Ru4 -","4","1","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.1074","0.0548","","","0.1069","0.1242","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518715","10.5379","0.0005","12.8283","0.0006","13.7451","0.0007","100.766","0.002","97.279","0.002","91.491","0.002","1808.34","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido(1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane)(h6-N-benzylacetamide)ruthenium(II)","","- C15 H23 Cl2 N4 O P Ru -","- C15 H23 Cl2 N4 O P Ru -","- C60 H92 Cl8 N16 O4 P4 Ru4 -","4","2","","Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G.","Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action","Chem. Sci.","2015","6","4","2449","","10.1039/C4SC03905J","","","0.71073","MoKα","","0.0236","0.0203","","","0.0483","0.0505","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518716","25.187","0.006","8.1556","0.0019","21.154","0.005","90","","99.308","0.003","90","","4288.1","1.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H55 Cl2 N5 O10 -","- C42 H55 Cl2 N5 O10 -","- C168 H220 Cl8 N20 O40 -","4","1","","Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.","Large ring-forming alkylations provide facile access to composite macrocycles","Chem. Sci.","2015","6","4","2219","","10.1039/C4SC03848G","","","0.71073","MoKα","","0.084","0.0682","","","0.1669","0.1758","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518717","9.483","0.0019","13.115","0.003","17.336","0.004","90.88","0.03","99.38","0.03","91.32","0.03","2126.3","0.8","150.02","0.1","150.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H27 B Br N O5 S -","- C18 H27 B Br N O5 S -","- C72 H108 B4 Br4 N4 O20 S4 -","4","2","","Carrillo, Josué Ayuso; Ingleson, Michael J.; Turner, Michael L.","Thienyl MIDA Boronate Esters as Highly Effective Monomers for Suzuki‒Miyaura Polymerization Reactions","Macromolecules","2015","48","4","979","","10.1021/ma502542g","","","0.71073","MoKα","","0.129","0.1028","","","0.2505","0.2668","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518718","16.759","0.004","7.4334","0.0018","30.141","0.007","90","","90","","90","","3754.9","1.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C144 H208 O32 Si8 -","8","1","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0479","0.0388","","","0.0719","0.0773","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518719","6.1239","0.0005","16.8945","0.0012","17.8873","0.0013","91.468","0.0009","95.3024","0.001","90.184","0.0011","1842.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C72 H104 O16 Si4 -","4","2","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0494","0.038","","","0.072","0.0761","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518720","18.4308","0.0007","19.5522","0.0007","35.0688","0.0013","93.065","0.003","95.734","0.003","112.904","0.004","11523.9","0.8","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","1","0.5","","Huang, Ren-Wu; Xu, Qing-Qing; Lu, Hong-Lin; Guo, Xiao-Kang; Zang, Shuang-Quan; Gao, Guang-Gang; Tang, Ming-Sheng; Mak, Thomas C. W.","Self-assembly of an unprecedented polyoxomolybdate anion [Mo20O66](12-) in a giant peanut-like 62-core silver-thiolate nanocluster.","Nanoscale","2015","7","16","7151","7154","10.1039/c5nr00171d","","","0.71073","MoKα","","0.1517","0.0904","","","0.2003","0.2325","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518723","7.0418","0.0005","10.4998","0.0008","17.4226","0.0012","93.591","0.005","96.204","0.005","103.663","0.005","1239.21","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","14214b","","- C32 H28 O4 Si -","- C32 H28 O4 Si -","- C64 H56 O8 Si2 -","2","1","","Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.","Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.","Organic letters","2015","17","4","856","859","10.1021/ol5037024","","","1.54178","CuKα","","0.0874","0.0653","","","0.1476","0.158","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518724","14.0146","0.0007","10.5314","0.0005","16.6752","0.0008","90","","100.775","0.003","90","","2417.8","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14239b","","","- C31 H28 O4 Si -","- C31 H28 O4 Si -","- C124 H112 O16 Si4 -","4","1","","Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.","Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.","Organic letters","2015","17","4","856","859","10.1021/ol5037024","","","1.54178","CuKα","","0.0649","0.0484","","","0.1154","0.1273","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518725","3.798","0.006","11.416","0.015","31.2","0.04","90","","90.82","0.02","90","","1353","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F N O3 -","- C18 H12 F N O3 -","- C72 H48 F4 N4 O12 -","4","1","","Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei","One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.","Organic letters","2015","17","5","1090","1093","10.1021/ol503615n","","","0.71073","MoKα","","0.1059","0.0868","","","0.1799","0.1937","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518726","7.668","0.003","11.45","0.004","11.497","0.004","97.96","0.006","98.584","0.006","103.944","0.006","952.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 F4 O3 -","- C22 H16 F4 O3 -","- C44 H32 F8 O6 -","2","1","","Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei","One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.","Organic letters","2015","17","5","1090","1093","10.1021/ol503615n","","","0.71073","MoKα","","0.0502","0.04","","","0.1015","0.1122","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518727","24.05898","0.00014","12.60445","0.00006","17.26646","0.00009","90","","109.899","0.0006","90","","4923.42","0.05","120","1","120","1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H53 F3 N4 O3 P2 S -","- C53 H53 F3 N4 O3 P2 S -","- C212 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","1.54184","CuKα","","0.0425","0.0418","","","0.1113","0.112","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518728","11.53121","0.00012","15.09347","0.00018","16.48026","0.00017","91.4726","0.0009","100.955","0.0009","90.9436","0.0009","2814.45","0.05","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl Ir N4 P2 -","- C67 H72 Cl Ir N4 P2 -","- C134 H144 Cl2 Ir2 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.041","0.0357","","","0.073","0.0747","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518729","30.1754","0.0004","30.1754","0.0004","27.5094","0.0004","90","","90","","120","","21692.9","0.5","120","1","120","1","","","","","","","","7","R -3","-R 3","148","","","","- C54 H52 Cl Ir N4 O2 P2 -","- C47 H44 Cl Ir N4 O2 P2 -","- C846 H792 Cl18 Ir18 N72 O36 P36 -","18","","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0509","0.0361","","","0.0796","0.0839","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518730","13.28816","0.00019","15.4534","0.0002","18.6095","0.0002","66.4438","0.0013","87.7181","0.0011","64.8361","0.0015","3131.28","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H80 Cl2 Ir2 N4 P2 -","- C68 H76 Cl2 Ir2 N4 P2 -","- C136 H152 Cl4 Ir4 N8 P4 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0527","0.0408","","","0.0761","0.0798","","","","","","1.111","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518731","12.88426","0.0001","13.46559","0.00009","30.9781","0.0002","90","","99.5872","0.0007","90","","5299.46","0.07","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H62 Au2 Cl3 Ir N4 P2 -","- C53 H56 Au2 Cl3 Ir N4 P2 -","- C212 H224 Au8 Cl12 Ir4 N16 P8 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system","Chem. Sci.","2015","6","4","2506","","10.1039/C4SC03966A","","x-ray","0.71073","MoKα","","0.0414","0.0356","","","0.0829","0.0843","","","","","","1.333","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518732","10.3987","0.001","18.7734","0.0018","27.849","0.003","90","","90","","90","","5436.7","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.63 H73.25 Cl3.25 N6 O10 -","- C48.625 H73.25 Cl3.25 N6 O10 -","- C194.5 H293 Cl13 N24 O40 -","4","1","","Pettit, George R.; Smith, Thomas H.; Arce, Pablo M.; Flahive, Erik J.; Anderson, Collin R.; Chapuis, Jean-Charles; Xu, Jun-Ping; Groy, Thomas L.; Belcher, Paul E.; Macdonald, Christian B.","Antineoplastic agents. 599. Total synthesis of dolastatin 16.","Journal of natural products","2015","78","3","476","485","10.1021/np500925y","","","0.71073","MoKα","","0.0677","0.0577","","","0.1536","0.1611","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518733","28.5983","0.0012","8.3343","0.0004","7.7428","0.0003","90","","90","","90","","1845.47","0.14","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Kim, Hiyoung; Yang, Inho; Ryu, Shin-Young; Won, Dong Hwan; Giri, Awadut G.; Wang, Weihong; Choi, Hyukjae; Chin, Jungwook; Hahn, Dongyup; Kim, Eunhee; Han, Chulkyeong; Lee, Jihye; Nam, Sang-Jip; Ho, Won-Kyung; Kang, Heonjoong","Acredinones A and B, Voltage-Dependent Potassium Channel Inhibitors from the Sponge-Derived Fungus Acremonium sp. F9A015.","Journal of natural products","2015","78","3","363","367","10.1021/np5007586","","","0.71073","MoKα","","0.093","0.0474","","","0.1038","0.1605","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518734","8.7862","0.0002","16.6613","0.0003","11.1995","0.0003","90","","112.702","0.003","90","","1512.47","0.07","123","0.14","123","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-1-(naphthalen-2-yl)-2-phenylpropan-1-one","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Sun, Qiu; Yao, Chang Jiang; König, Burkhard","A triphenylphosphine mediated photo-rearrangement and methanol addition of aryl chalcones to 1-propanones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2015","14","5","948","952","10.1039/c5pp00009b","","x-ray","1.54184","CuKα","","0.039","0.0356","","","0.0925","0.0957","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518735","10.981","0.002","16.009","0.0019","19.987","0.0018","90","","90","","90","","3513.6","0.8","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","0.5","","Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob","Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers.","The journal of physical chemistry. A","2015","119","10","1906","1916","10.1021/jp5122849","","","0.71073","MoKα","","0.0908","0.062","","","0.1469","0.1686","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518736","10.069","0.004","13.876","0.003","16.5","0.006","109.803","0.019","94.46","0.02","103.692","0.02","2075.7","1.3","122","1","122","1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H48 N2 O3 -","- C55 H48 N2 O3 -","- C110 H96 N4 O6 -","2","1","","Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob","Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers.","The journal of physical chemistry. A","2015","119","10","1906","1916","10.1021/jp5122849","","","0.71073","MoKα","","0.0733","0.0501","","","0.1116","0.1255","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518737","8.5037","0.0011","9.8109","0.0013","13.1211","0.0007","92.898","0.01","97.615","0.009","107.974","0.009","1027.2","0.2","122","1","122","1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H44 N2 O2 -","- C55 H44 N2 O2 -","- C55 H44 N2 O2 -","1","0.5","","Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob","Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers.","The journal of physical chemistry. A","2015","119","10","1906","1916","10.1021/jp5122849","","","0.71073","MoKα","","0.0706","0.0495","","","0.1128","0.1283","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518738","20.703","0.004","9.885","0.002","14.702","0.003","90","","90","","90","","3008.8","1","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19.5 H18.5 As3 Cl6.5 S6 -","- C18 H18 As3 Cl3 S6 -","- C72 H72 As12 Cl12 S24 -","4","0.5","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1259","0.0713","","","0.1818","0.21","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518739","14.2066","0.0008","14.2066","0.0008","33.41","0.002","90","","90","","120","","5839.7","0.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H24 Cl3 S6 Sb3 -","- C18 H18 Cl3 S6 Sb3 -","- C108 H108 Cl18 S36 Sb18 -","6","0.166667","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","1.54178","CuKα","","0.0597","0.0532","","","0.1446","0.1493","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518740","10.0055","0.0019","12.424","0.002","16.522","0.003","81.285","0.003","88.456","0.003","84.579","0.003","2020.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 As3 Cl3 S6 -","- C30 H36 As3 Cl3 S6 -","- C60 H72 As6 Cl6 S12 -","2","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.1028","0.0909","","","0.239","0.2466","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518741","16.413","0.002","16.413","0.002","23.8","0.006","90","","90","","120","","5552.4","1.7","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 As3 Cl3 S6 -","- C30 H42 As3 Cl3 S6 -","- C180 H252 As18 Cl18 S36 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0731","0.0671","","","0.2213","0.229","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518742","16.0971","0.001","11.4604","0.0007","16.3368","0.001","90","","91.867","0.001","90","","3012.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl3 S6 Sb3 -","- C24 H30 Cl3 S6 Sb3 -","- C96 H120 Cl12 S24 Sb12 -","4","1","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0286","0.0233","","","0.0553","0.0577","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518743","16.458","0.0006","16.458","0.0006","23.9449","0.0008","90","","90","","120","","5616.9","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 Cl3 S6 Sb3 -","- C30 H42 Cl3 S6 Sb3 -","- C180 H252 Cl18 S36 Sb18 -","6","0.333333","","Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W.","Self-assembled trinuclear arsenic and antimony macrobicycles","Chem. Sci.","2015","6","4","2444","","10.1039/C4SC04042B","","","0.71073","MoKα","","0.0294","0.025","","","0.0679","0.0706","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518744","11.5382","0.0014","11.5382","0.0014","25.813","0.003","90","","90","","90","","3436.5","0.7","223","2","223","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C32 H30 N8 O5 Zn4 -","- C32 H30 N8 O5 Zn4 -","- C64 H60 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","0.71073","MoKα","","0.0628","0.0524","","","0.1545","0.1609","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518745","11.517","0.003","11.517","0.003","34.474","0.011","90","","90","","90","","4573","2","273","2","273","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C34 H32 N8 O5 Zn4 -","- C34 H32 N8 O5 Zn4 -","- C68 H64 N16 O10 Zn8 -","2","0.125","","Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications","Chem. Sci.","2015","6","4","2516","","10.1039/C4SC03985H","","","1.54178","CuKα","","0.0814","0.0748","","","0.1927","0.1958","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518747","11.31","0.003","13.792","0.003","13.982","0.003","93.902","0.003","90.56","0.003","112.233","0.003","2012.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C84 H54 Cl6 N24 O12 -","6","3","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0828","0.0745","","","0.2121","0.2337","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518748","10.784","0.0017","9.6655","0.0016","28.858","0.005","90","","90","","90","","3007.9","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br N4 O2 -","- C15 H11 Br N4 O2 -","- C120 H88 Br8 N32 O16 -","8","1","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0987","0.0498","","","0.1184","0.1363","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518753","12.1667","0.0016","12.1867","0.0016","13.5954","0.0018","81.549","0.002","77.873","0.002","65.444","0.002","1788.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Me2NN]Cu(h2-ArFN=ArF)","","","- C37 H31 Cu F12 N4 -","- C37 H31 Cu F12 N4 -","- C74 H62 Cu2 F24 N8 -","2","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.0555","0.0381","","","0.0921","0.0978","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518754","36.71","0.003","36.71","0.003","4.9148","0.0006","90","","90","","90","","6623.3","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ArFN=NArF","","","- C16 H6 F12 N2 -","- C16 H6 F12 N2 -","- C256 H96 F192 N32 -","16","1","","Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl","Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions","Chem. Sci.","2015","6","4","2474","","10.1039/C4SC03294B","","","0.71073","MoKα","","0.1031","0.0515","","","0.1382","0.1668","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518755","11.295","0.0011","10.512","0.0008","16.9583","0.0016","90","","102.328","0.004","90","","1967.1","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Au B Cl N2 O2 -","- C18 H27 Au B Cl N2 O2 -","- C72 H108 Au4 B4 Cl4 N8 O8 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0456","0.0378","","","0.1144","0.1298","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518756","15.396","0.002","14.4925","0.0019","24.966","0.004","90","","100.935","0.006","90","","5469.4","1.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Au B Cl N4 O4 -","- C53 H79 Au B Cl N4 O4 -","- C212 H316 Au4 B4 Cl4 N16 O16 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1174","0.0756","","","0.1671","0.1768","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518757","5.9513","0.0006","10.9562","0.0011","17.3953","0.0015","96.176","0.005","93.242","0.005","97.646","0.006","1114.73","0.19","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H27 B F3 Li N2 O5 S -","- C19 H27 B F3 Li N2 O5 S -","- C38 H54 B2 F6 Li2 N4 O10 S2 -","2","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1713","0.0685","","","0.1112","0.1408","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518758","16.46","0.002","13.8072","0.0016","11.9483","0.0018","90","","104.628","0.009","90","","2627.4","0.6","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B Cl N2 O2 Rh -","- C26 H38.734 B Cl N2 O2 Rh -","- C104 H154.936 B4 Cl4 N8 O8 Rh4 -","4","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.1552","0.0886","","","0.1695","0.1934","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518759","35.4699","0.0014","10.667","0.0005","18.1337","0.0008","90","","115.404","0.002","90","","6197.6","0.5","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 B Cl Ir N2 O2 -","- C33 H47 B Cl Ir N2 O2 -","- C264 H376 B8 Cl8 Ir8 N16 O16 -","8","1","","Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei","Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors","Chem. Sci.","2015","6","5","2893","","10.1039/C5SC00404G","","","0.71073","MoKα","","0.0443","0.0285","","","0.0536","0.0583","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518760","29.8268","0.0015","17.7117","0.0009","38.0786","0.0019","90","","96.79","0.0007","90","","19975.2","1.7","15","2","15","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rubpyperoxocryptand","","","- C193.98 H267.94 N41 O29 Ru2 -","- C193.98 H267.94 N41 O29 Ru2 -","- C775.92 H1071.76 N164 O116 Ru8 -","4","0.5","","Anderson, Bryce L.; Maher, Andrew G.; Nava, Matthew; Lopez, Nazario; Cummins, Christopher C.; Nocera, Daniel G.","Ultrafast Photoinduced Electron Transfer from Peroxide Dianion.","The journal of physical chemistry. B","2015","119","24","7422","7429","10.1021/jp5110505","","","0.41328","synchrotron","","0.0884","0.0679","","","0.1923","0.2154","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518761","9.507","0.002","11.729","0.003","16.605","0.004","102.703","0.002","96.771","0.002","112.595","0.002","1625","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 F12 Fe2 O10 -","- C25 H23 F12 Fe2 O10 -","- C50 H46 F24 Fe4 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0728","0.0481","","","0.1106","0.1249","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518762","9.7834","0.0007","20.8414","0.0016","12.0955","0.0009","90","","102.57","0.0019","90","","2407.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0329","0.0291","","","0.0656","0.0675","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518763","9.7979","0.0013","20.819","0.003","12.0998","0.0016","90","","102.659","0.003","90","","2408.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe3 O14 -","- C35 H25 F24 Fe3 O14 -","- C70 H50 F48 Fe6 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0348","0.0293","","","0.0687","0.0718","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518764","20.934","0.003","13.481","0.002","17.739","0.003","90","","92.848","0.002","90","","5000","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F30 Fe3 O14 -","- C35 H19 F30 Fe3 O14 -","- C140 H76 F120 Fe12 O56 -","4","0.5","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0494","0.0422","","","0.1087","0.1149","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518765","9.464","0.0006","11.8255","0.0008","16.508","0.0011","102.022","0.0018","97.859","0.0018","112.682","0.0017","1618.3","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe Mn O10 -","- C25 H23 F12 Fe Mn O10 -","- C50 H46 F24 Fe2 Mn2 O20 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.0729","0.0444","","","0.0987","0.111","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518766","9.7682","0.0007","20.7583","0.0015","12.0575","0.0009","90","","103.126","0.0017","90","","2381","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H25 F24 Fe Ni2 O14 -","- C35 H25 F24 Fe Ni2 O14 -","- C70 H50 F48 Fe2 Ni4 O28 -","2","1","","Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.","Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors","Chem. Sci.","2015","6","5","2835","","10.1039/C4SC04002C","","","0.71073","MoKα","","0.045","0.0349","","","0.0657","0.0698","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518767","17.554","0.005","6.445","0.0019","15.846","0.004","90","","111.672","0.015","90","","1666","0.8","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N6 O3 -","- C16 H11 Br N6 O3 -","- C64 H44 Br4 N24 O12 -","4","1","","Okamoto, Noriko; Sueda, Takuya; Minami, Hideki; Miwa, Yoshihisa; Yanada, Reiko","Regioselective Iodoazidation of Alkynes: Synthesis of α,α-Diazidoketones","Organic Letters","2015","","","150226085504000","","10.1021/acs.orglett.5b00395","","","1.54187","CuKα","","","0.0373","","","","0.0246","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518768","19.113","0.004","8.7386","0.0017","12.407","0.003","90","","107.31","0.03","90","","1978.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cl2 N4 O3 Pt -","- C15 H18 Cl2 N4 O3 Pt -","- C60 H72 Cl8 N16 O12 Pt4 -","4","1","","Tabatabaei Rezaei, Seyed Jamal; Amani, Vahid; Nabid, Mohammad Reza; Safari, Nasser; Niknejad, Hassan","Folate-decorated polymeric Pt(ii) prodrug micelles for targeted intracellular delivery and cytosolic glutathione-triggered release of platinum anticancer drugs","Polym. Chem.","2015","6","15","2844","","10.1039/C5PY00156K","","","0.71073","MoKα","","0.0812","0.0614","","","0.1452","0.1535","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518769","6.0367","0.0005","19.1261","0.0015","20.5025","0.0018","90","","90","","90","","2367.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N3 O4 -","- C25 H33 N3 O4 -","- C100 H132 N12 O16 -","4","1","","Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui","Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil.","Journal of natural products","2015","78","4","909","913","10.1021/np5007839","","","1.54178","CuKα","","0.2607","0.1021","","","0.1588","0.2663","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518770","11.2813","0.0006","14.1148","0.0007","24.5832","0.0014","90","","90","","90","","3914.5","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl4 N2 -","- C20 H16 Cl4 N2 -","- C160 H128 Cl32 N16 -","8","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.7107","MoKα","","0.0582","0.0361","","","0.0726","0.0821","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518771","9.3474","0.0007","9.8657","0.0007","12.3923","0.0009","66.695","0.007","69.579","0.007","62.115","0.007","908.59","0.13","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 -","- C18 H26 Cl2 N2 -","- C36 H52 Cl4 N4 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.71073","MoKα","","0.08","0.0548","","","0.1337","0.1527","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518772","9.6557","0.0002","10.7366","0.0003","25.0366","0.0004","90","","90","","90","","2595.53","0.1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br Cl3 N O2 -","- C28 H23 Br Cl3 N O2 -","- C112 H92 Br4 Cl12 N4 O8 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0425","0.034","","","0.0628","0.0662","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518773","7.3516","0.0002","9.5635","0.0002","29.4896","0.0005","90","","90","","90","","2073.33","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0354","0.0311","","","0.069","0.0711","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518774","19.391","0.014","6.455","0.007","15.383","0.012","90","","115.322","0.013","90","","1740","3","295","","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng","Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.","Journal of natural products","2015","78","4","630","638","10.1021/np500746n","","","1.54187","CuKα","","0.0545","0.0463","","","0.116","0.146","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518775","10.734","0.007","12.344","0.004","13.282","0.005","90","","90","","90","","1759.9","1.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng","Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.","Journal of natural products","2015","78","4","630","638","10.1021/np500746n","","","1.54178","CuKα","","0.0325","0.0319","","","0.0856","0.0862","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518776","11.703","0.0007","10.8732","0.0006","20.5169","0.0012","90","","92.636","0.002","90","","2608","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 F12 N3 Na O9 S4 -","- C12 H18 F12 N3 Na O9 S4 -","- C48 H72 F48 N12 Na4 O36 S16 -","4","1","","Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano","Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes","The Journal of Physical Chemistry C","2015","119","11","5878","","10.1021/jp512895h","","","0.71073","MoKα","","0.0498","0.0371","","","0.0886","0.0955","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518777","11.4359","0.0002","12.0538","0.0002","13.8956","0.0002","69.152","0.001","82.96","0.001","81.651","0.001","1765.86","0.05","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","1","1","","Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano","Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes","The Journal of Physical Chemistry C","2015","119","11","5878","","10.1021/jp512895h","","","0.71073","MoKα","","0.0348","0.0334","","","0.0892","0.0927","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518778","9.1296","0.0006","10.8681","0.0007","13.8864","0.001","107.26","0.008","90.512","0.006","92.334","0.007","1314.37","0.16","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H39 Ga -","- C32 H39 Ga -","- C64 H78 Ga2 -","2","1","","Matsumoto, Takuya; Takamine, Hirofumi; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Air- and Moisture-Stable Dibenzogallepins: Control of Planarity of Seven-Membered Rings in Solid States by Coordination to Gallium Atoms","Organic Letters","2015","","","150304071945009","","10.1021/acs.orglett.5b00489","","","0.71075","MoKα","","0.0699","0.0546","","","0.1385","0.194","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518779","30.868","0.006","17.517","0.004","24.155","0.005","90","","90","","90","","13061","5","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H34 Cl2 Ir N P2 -","- C38 H34 Cl2 Ir N P2 -","- C304 H272 Cl16 Ir8 N8 P16 -","8","0.5","","Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin","Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands","Chem. Sci.","2015","6","5","2928","","10.1039/C5SC00248F","","","0.71073","MoKα","","0.0988","0.0719","","","0.2005","0.2174","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518780","16.767","0.003","19.047","0.004","10.248","0.002","90","","127.038","0.003","90","","2612.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga1.67 O10 P2.5 Zn0.83 -","- Ga13.36 O80 P20 Zn6.64 -","8","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong","Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity","Chem. Sci.","2015","6","5","2922","","10.1039/C5SC00291E","","","0.71073","MoKα","","0.0677","0.0466","","","0.1257","0.1353","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518781","12.7767","0.0005","13.894","0.0005","38.0545","0.0013","90.4567","0.0018","92.9881","0.0018","96.475","0.002","6702.5","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H59 B F29 Fe N3 P2 -","- C63 H59 B F29 Fe N3 P2 -","- C252 H236 B4 F116 Fe4 N12 P8 -","4","2","","Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L.","Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay","Chem. Sci.","2015","6","5","2737","","10.1039/C5SC00398A","","","0.71073","MoKα","","0.0655","0.0511","","","0.122","0.1288","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518782","17.569","0.004","10.302","0.002","19.781","0.004","90","","100.629","0.002","90","","3518.8","1.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(salen)Co-CO2CH3","","- C38 H55 Co N2 O4 -","- C38 H55 Co N2 O4 -","- C152 H220 Co4 N8 O16 -","4","1","","Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng","A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization","Chem. Sci.","2015","6","5","2979","","10.1039/C5SC00477B","","","0.71073","MoKα","","0.073","0.0698","","","0.1519","0.1534","","","","","","1.26","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518783","14.9264","0.0006","8.5389","0.0003","13.3223","0.0006","90","","96.518","0.004","90","","1687.02","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Zhang, Wei; Wei, Jun; Fu, Shaomin; Lin, Dongen; Jiang, Huanfeng; Zeng, Wei","Highly Stereoselective Ruthenium(II)-Catalyzed Direct C2-syn-Alkenylation of Indoles with Alkynes.","Organic letters","2015","17","6","1349","1352","10.1021/ol503618m","","","1.54178","CuKα","","0.0583","0.0425","","","0.1006","0.1126","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518784","17.3182","0.0007","19.7092","0.0005","12.0924","0.0005","90","","120.773","0.002","90","","3546.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H29 B I N3 -","- C16 H29 B I N3 -","- C128 H232 B8 I8 N24 -","8","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0348","0.0244","","","0.0572","0.0596","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518785","7.1546","0.0004","12.8526","0.0007","20.4294","0.0006","90","","90","","90","","1878.59","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 B N3 O4 -","- C17 H30 B N3 O4 -","- C68 H120 B4 N12 O16 -","4","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0437","0.0378","","","0.0856","0.0882","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518786","7.4701","0.0002","19.7919","0.0005","11.1894","0.0003","90","","90","","90","","1654.32","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.036","0.0343","","","0.0966","0.0986","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518787","13.128","0.0006","37.8916","0.0017","10.29","0.0005","90","","90","","90","","5118.7","0.4","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H46 F6 Ir N4 O P -","- C58 H46 F6 Ir N4 O P -","- C232 H184 F24 Ir4 N16 O4 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0493","0.0467","","","0.121","0.1228","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518788","15.0877","0.001","13.1747","0.0009","18.093","0.0012","90","","96.094","0.002","90","","3576.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 F6 Ir N4 P -","- C44 H32 F6 Ir N4 P -","- C176 H128 F24 Ir4 N16 P4 -","4","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0199","0.0192","","","0.0487","0.0492","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518789","10.8073","0.0006","13.5065","0.0008","20.8777","0.0012","80.953","0.003","86.577","0.003","78.797","0.003","2950.9","0.3","123","","123","","","","","","","","A.Buenzli","6","P -1","-P 1","2","","","","- C76 H60 F6 Ir N4 P -","- C76 H60 F6 Ir N4 P -","- C152 H120 F12 Ir2 N8 P2 -","2","1","","Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.","Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters","Chem. Sci.","2015","6","5","2843","","10.1039/C4SC03942D","","","1.54178","CuKα","","0.0243","0.0204","","0.0492","0.0474","0.0492","","","","","","0.9016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518790","11.441","0.005","12.816","0.006","19.954","0.009","94.244","0.006","105.724","0.005","116.293","0.005","2460.3","1.9","220","2","220","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H58 Cl2 N3 O P2 Re2 S6 -","- C42 H58 Cl2 N3 O P2 Re2 S6 -","- C84 H116 Cl4 N6 O2 P4 Re4 S12 -","2","1","","Suman Malli; Mrinal Kanti Ghosha; Manoj Mohapatrab; Sudip Mohapatrac; Swarup Chattopadhyaya","Synthesis, structure and spectral properties of dithiocarbamato bridged dirhenium(III,II) complexes: A combined experimental and theoretical study","Inorganica Chimica Acta","2015","424","","129","135","","","","0.71073","MoKα","","0.0448","0.0321","","","0.079","0.104","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518791","10.395","0.002","15.24","0.003","21.15","0.004","90","","93.2","0.03","90","","3345.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Mo2 N O2 P -","- C35 H48 Mo2 N O2 P -","- C140 H192 Mo8 N4 O8 P4 -","4","1","","M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb","Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands","Inorganica Chimica Acta","2015","424","","103","115","","","x-ray","0.71073","MoKα","","0.0398","0.0294","","","0.0629","0.0658","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518792","15.276","0.0008","14.1439","0.0008","16.6334","0.0009","90","","108.407","0.001","90","","3410","0.3","173","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Mo2 N O2 P -","- C35 H48 Mo2 N O2 P -","- C140 H192 Mo8 N4 O8 P4 -","4","1","","M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb","Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands","Inorganica Chimica Acta","2015","424","","103","115","","","x-ray","0.71074","MoKα","","0.0449","0.0288","","","0.0584","0.0631","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518793","9.053","0.003","24.543","0.009","18.662","0.007","90","","92.635","0.006","90","","4142","3","253","2","253","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Mo2 O2 P3 -","- C42 H61 Mo2 O2 P3 -","- C168 H244 Mo8 O8 P12 -","4","1","","M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb","Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands","Inorganica Chimica Acta","2015","424","","103","115","","","x-ray","0.71073","MoKα","","0.1258","0.0515","","","0.0982","0.1303","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518794","20.941","0.006","11.484","0.003","15.253","0.004","90","","98.568","0.007","90","","3627.2","1.7","120","0.1","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Mo2 O2 P3 -","- C35 H53 Mo2 O2 P3 -","- C140 H212 Mo8 O8 P12 -","4","1","","M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb","Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands","Inorganica Chimica Acta","2015","424","","103","115","","","x-ray","0.71073","MoKα","","0.088","0.0637","","","0.1858","0.1968","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518795","13.9","0.005","27.991","0.005","20.413","0.005","90","","103.253","0.005","90","","7731","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H67.5 Cl2.5 I3 P4 Pd Pt2 -","- C81 H67.5 Cl2.5 I3 P4 Pd Pt2 -","- C324 H270 Cl10 I12 P16 Pd4 Pt8 -","4","1","","Bender, Robert; Welter, Richard; Braunstein, Pierre","Phosphanido-Bridged Triangular Platinum Clusters as Versatile Platforms: A Personal Account","Inorganica Chimica Acta","2015","424","","20","28","","","","0.71069","MoKα","","0.0995","0.0584","","","0.1349","0.1523","","","","","","0.948","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1518796","25.6","0.005","12.816","0.005","11.593","0.005","90","0.005","113.5","0.05","90","","3488","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 I P2 Pt -","- C42 H35 I P2 Pt -","- C168 H140 I4 P8 Pt4 -","4","0.5","","Bender, Robert; Welter, Richard; Braunstein, Pierre","Phosphanido-Bridged Triangular Platinum Clusters as Versatile Platforms: A Personal Account","Inorganica Chimica Acta","2015","424","","20","28","","","","0.71069","MoKα","","0.0408","0.0289","","","0.0657","0.0705","","","","","","0.79","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518797","15.1128","0.0008","17.4546","0.0009","18.3611","0.0009","90","","92.131","0.001","90","","4840.1","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MO2(DAniF)3(OCH2CH3(HOCH2CH3)","","","- C49 H56 Mo2 N6 O8 -","- C49 H56 Mo2 N6 O8 -","- C196 H224 Mo8 N24 O32 -","4","1","","Hao Leia; Xuan Xiaob; Miao Menga; Tao Chenga; Yao Shua; Ying Ning Tana; Chun Y. Liua","Dimolybdenum dimers spaced by phenylene groups: The experimental models for study of electronic coupling","Inorganica Chimica Acta","2015","424","","63","74","","","","0.71073","MoKα","","0.0493","0.033","","","0.0763","0.086","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518798","17.3635","0.0005","17.3635","0.0005","13.0372","0.0004","90","","90","","90","","3930.6","0.2","295","","295","","","","","","","","","6","I 41/a :1","I 4bw -1bw","88","diruthenium tetra-acetate cobalt phthalocyanine dicyanide","","","- C42 H28 Co N10 O8 Ru2 -","- C42 H28 Co N10 O8 Ru2 -","- C168 H112 Co4 N40 O32 Ru8 -","4","0.25","","Kevin H. Stone; Peter W. Stephens; Megan B. Wainer; Royce A. Davidson; Joel S. Miller","Linear (1-D) chain structure of [Ru2(O2CMe)4]+[CoIIIPc(CN)2]- determined via synchrotron powder diffraction data","Inorganica Chimica Acta","2015","424","","116","119","","powder diffraction","","0.69994","","","","","","","","","","0.0275","2.306","","","","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1518799","10.7675","0.0004","22.9228","0.001","16.9966","0.0007","90","","107.327","0.001","90","","4004.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 F9 Mo2 N2 O7 -","- C35 H39 F9 Mo2 N2 O7 -","- C140 H156 F36 Mo8 N8 O28 -","4","1","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0311","0.0262","","","0.0656","0.0684","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518800","12.1583","0.0006","16.7986","0.0008","18.7477","0.001","90","","94.692","0.002","90","","3816.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F9 Mo2 N2 O6 -","- C35 H37 F9 Mo2 N2 O6 -","- C140 H148 F36 Mo8 N8 O24 -","4","1","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0311","0.0276","","","0.0607","0.062","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518801","21.516","0.01","11.795","0.005","22.894","0.01","90","","103.191","0.017","90","","5657","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 F6 Mo2 N4 O5 -","- C58 H68 F6 Mo2 N4 O5 -","- C232 H272 F24 Mo8 N16 O20 -","4","0.5","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.095","0.0532","","","0.1121","0.1228","","","","","","0.909","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518802","22.0604","0.0011","13.642","0.0006","23.0026","0.001","90","","107.66","0.002","90","","6596.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 F6 Mo2 N4 O4 -","- C68 H88 F6 Mo2 N4 O4 -","- C272 H352 F24 Mo8 N16 O16 -","4","0.5","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0384","0.0309","","","0.0781","0.0824","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518803","9.6189","0.0002","10.2292","0.0002","12.1372","0.0003","109.515","0.001","94.157","0.001","107.992","0.001","1049.82","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 Mo2 N4 O4 -","- C46 H48 Mo2 N4 O4 -","- C46 H48 Mo2 N4 O4 -","1","0.5","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0276","0.0243","","","0.0639","0.0667","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518804","11.1913","0.0005","12.1888","0.0005","12.4422","0.0006","89.5","0.002","66.097","0.001","65.18","0.001","1381.45","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 Mo2 N4 O5 -","- C58 H74 Mo2 N4 O5 -","- C58 H74 Mo2 N4 O5 -","1","0.5","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0254","0.0233","","","0.0592","0.0604","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518805","11.81","0.0004","17.5","0.0005","14.59","0.0004","90","","106.31","0.001","90","","2894.04","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H80 Mo2 N4 O4 -","- C62 H80 Mo2 N4 O4 -","- C124 H160 Mo4 N8 O8 -","2","0.5","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0381","0.0284","","","0.0684","0.0757","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518806","32.864","0.004","16.0484","0.0018","18.474","0.002","90","","90","","90","","9743.5","1.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H59 F9 Mo2 N2 O9 -","- C43 H59 F9 Mo2 N2 O9 -","- C344 H472 F72 Mo16 N16 O72 -","8","1","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0826","0.0628","","","0.1615","0.1754","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518807","13.177","0.0006","19.7669","0.0008","22.1187","0.0009","90","","104.274","0.002","90","","5583.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 F6 N4 O5 W2 -","- C58 H78 F6 N4 O5 W2 -","- C232 H312 F24 N16 O20 W8 -","4","1","","Irene Mendoza; Natalia Curado; Mario Carrasco; Eleuterio Alvarez; Riccardo Peloso; Amor Rodriguez; Ernesto Carmona","Synthesis and structure of mixed carboxylate-aminopyridinate and -amidinate complexes of dimolybdenum and ditungsten","Inorganica Chimica Acta","2015","424","","120","128","","","","0.71073","MoKα","","0.0438","0.0305","","","0.0786","0.0883","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518808","33.1904","0.0017","37.5532","0.0016","6.7182","0.0002","90","","90","","90","","8373.6","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H17 F5 N2 Pt -","- C24 H17 F5 N2 Pt -","- C384 H272 F80 N32 Pt16 -","16","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","","","0.0207","0.0188","","","0.0392","0.04","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518809","8.4782","0.0004","12.1683","0.0005","13.8379","0.0006","69.009","0.004","74.847","0.004","87.969","0.003","1283.82","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 F5 N2 Pt -","- C31 H24 F5 N2 Pt -","- C62 H48 F10 N4 Pt2 -","2","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.0419","0.0316","","","0.0549","0.0563","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518810","12.1905","0.0004","14.5009","0.0005","16.9334","0.0004","109.448","0.003","107.935","0.002","92.248","0.003","2651.69","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H38 Ag Cl5 F10 N4 O4 Pt2 -","- C50 H38 Ag Cl5 F10 N4 O4 Pt2 -","- C100 H76 Ag2 Cl10 F20 N8 O8 Pt4 -","2","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.0244","0.0221","","","0.0509","0.0519","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518811","12.189","0.0004","15.6999","0.0006","16.0301","0.0006","110.137","0.004","105.02","0.003","96.408","0.003","2712.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51.9 H40.8 Ag Cl F10 N4 O5.3 Pt2 -","- C51.9 H40.8 Ag Cl F10 N4 O5.3 Pt2 -","- C103.8 H81.6 Ag2 Cl2 F20 N8 O10.6 Pt4 -","2","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.045","0.0324","","","0.0779","0.0797","","","","","","0.985","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518812","11.70469","0.00015","14.0801","0.0003","18.0684","0.0004","86.9729","0.0017","73.0769","0.0015","87.9992","0.0014","2844.21","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62.7 H35.4 Ag Cl F10 N4 O4.9 Pt2 -","- C62.7 H35.4 Ag Cl F10 N4 O4.9 Pt2 -","- C125.4 H70.8 Ag2 Cl2 F20 N8 O9.8 Pt4 -","2","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.0404","0.0318","","","0.0805","0.0852","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518813","10.6514","0.0003","11.497","0.0003","12.3373","0.0003","75.362","0.002","66.607","0.002","66.537","0.002","1263.92","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H34 Ag2 Cl2 F10 N4 O8 Pt2 -","- C56 H34 Ag2 Cl2 F10 N4 O8 Pt2 -","- C56 H34 Ag2 Cl2 F10 N4 O8 Pt2 -","1","0.5","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.0271","0.0245","","","0.0545","0.0558","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518814","11.2987","0.0002","16.2371","0.0004","21.307","0.0004","81.5978","0.0018","80.17","0.0017","76.262","0.0019","3718.54","0.14","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C79.5 H65 Ag2 Cl2 F5 N2 O8.5 P3 Pt -","- C79.5 H65 Ag2 Cl2 F5 N2 O8.5 P3 Pt -","- C159 H130 Ag4 Cl4 F10 N4 O17 P6 Pt2 -","2","1","","Miguel Baya; Ursula Belio; Juan Fornies; Antonio Martin; Mariano Peralvarez; Violeta Sicilia","Neutral benzoquinolate cyclometalated platinum(II) complexes as precursors in the preparation of luminescent Pt-Ag complexes","Inorganica Chimica Acta","2015","424","","136","149","","","","0.71073","MoKα","","0.0556","0.0515","","","0.1426","0.1454","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518815","18.6424","0.0017","13.1149","0.0012","23.982","0.002","90","","105.293","0.003","90","","5655.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexakis(μ~2~-t-butoxo)-tri-copper(i)-di-tin(ii) tris(hexafluoroacetylacetonato)-copper(ii)","","- C39 H57 Cu4 F18 O12 Sn2 -","- C39 H57 Cu4 F18 O12 Sn2 -","- C156 H228 Cu16 F72 O48 Sn8 -","4","0.5","","Craig M. Lieberman; Volodimir D. Vreshch; Alexander S. Filatov; Evgeny V. Dikarev","Synthesis and characterization of {[CuI3Sn2(OBut)6]+[CuII(hfac)3]-} - A heterometallic cluster with unique triangular copper(I) core","Inorganica Chimica Acta","2015","424","","156","161","","","","0.71073","Mo-Kα","","0.0612","0.0554","","","0.1226","0.1262","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518816","8.8261","0.0017","9.0226","0.0017","9.8431","0.0019","90.451","0.003","110.697","0.003","92.725","0.003","732.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 K4 Mn O32 Ru4 -","- C8 H16 K4 Mn O32 Ru4 -","- C8 H16 K4 Mn O32 Ru4 -","1","0.5","","Yan-Yan Jia; Zhu-Guo Chang; Jian-Hui Yang; Bin Liu","Spin glass ordering in heterometallic carbonates with pillared layer structure: K4[Mn(H2O)4{Ru2(CO3)4}2].4H2O","Inorganica Chimica Acta","2015","424","","162","166","","","","0.71073","MoKα","","0.0385","0.0326","","","0.0817","0.0861","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518817","10.9791","0.0002","18.4206","0.0004","17.388","0.0004","90","","104.796","0.001","90","","3399.97","0.13","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H63 Cr N3 P3 -","- C27 H63 Cr N3 P3 -","- C108 H252 Cr4 N12 P12 -","4","1","","Subramaniam Kuppuswamy; T.R. Cass; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis and investigation of the metal-metal interactions in heterobimetallic Cr/Rh and Cr/Ir complexes","Inorganica Chimica Acta","2015","424","","167","172","","","","0.71073","MoKα","","0.0395","0.0287","","0.0805","0.0698","0.0805","","","","","","0.9887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518818","40.8795","0.0011","8.668","0.0003","22.03","0.0006","90","","116.928","0.001","90","","6959.8","0.4","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H63 Cl Cr N3 P3 Rh -","- C27 H63 Cl Cr N3 P3 Rh -","- C216 H504 Cl8 Cr8 N24 P24 Rh8 -","8","1","","Subramaniam Kuppuswamy; T.R. Cass; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis and investigation of the metal-metal interactions in heterobimetallic Cr/Rh and Cr/Ir complexes","Inorganica Chimica Acta","2015","424","","167","172","","","","0.71073","MoKα","","0.0514","0.0323","","0.0632","0.0588","0.0632","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518819","40.9192","0.0015","8.6971","0.0003","22.0568","0.0008","90","","116.926","0.002","90","","6998.6","0.5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H63 Cl Cr Ir N3 P3 -","- C27 H63 Cl Cr Ir N3 P3 -","- C216 H504 Cl8 Cr8 Ir8 N24 P24 -","8","1","","Subramaniam Kuppuswamy; T.R. Cass; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis and investigation of the metal-metal interactions in heterobimetallic Cr/Rh and Cr/Ir complexes","Inorganica Chimica Acta","2015","424","","167","172","","","","0.71073","MoKα","","0.0378","0.0271","","0.056","0.054","","","","","","","0.9532","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518820","9.9575","0.0004","10.7208","0.0005","16.4862","0.0008","91.531","0.002","105.749","0.003","104.208","0.003","1633.82","0.13","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","4","","Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng","Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence.","Organic letters","2015","17","6","1481","1484","10.1021/acs.orglett.5b00355","","","0.71073","MoKα","","0.0722","0.0518","","","0.1226","0.1427","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518821","11.6132","0.0009","14.7425","0.0011","16.9669","0.0013","87.393","0.003","71.112","0.003","80.062","0.003","2707","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","endo- [AuIII(Cfl^N^C)R]n","3-endo","","- C65 H80 Au N O -","- C65 H80 Au N O -","- C130 H160 Au2 N2 O2 -","2","1","","Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming","Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand","Chem. Sci.","2015","6","5","3026","","10.1039/C4SC03697B","","","1.54178","CuKα","","0.0426","0.0401","","","0.1015","0.1049","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518822","10.071","0.004","11.844","0.004","13.4","0.005","86.394","0.011","79.387","0.018","74.371","0.012","1512.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","05a","","- C35 H34 Au B Mn O2 P -","- C35 H34 Au B Mn O2 P -","- C70 H68 Au2 B2 Mn2 O4 P2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0161","0.0152","","","0.0373","0.0377","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518823","41.848","0.008","10.898","0.002","15.941","0.003","90","","91.024","0.009","90","","7269","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","05b","","- C43 H40 Au B Mn O2 P -","- C43 H40 Au B Mn O2 P -","- C344 H320 Au8 B8 Mn8 O16 P8 -","8","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.079","0.0449","","","0.0885","0.1043","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518824","13.491","0.002","13.559","0.002","16.412","0.002","90","","101.959","0.015","90","","2937","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","05c","","- C30 H29 Au B Mn N O2 P S -","- C30 H29 Au B Mn N O2 P S -","- C120 H116 Au4 B4 Mn4 N4 O8 P4 S4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.037","0.03","","","0.0662","0.0688","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518825","18.435","0.006","33.798","0.015","17.288","0.005","90","","113.832","0.018","90","","9853","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","08","","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C46 H40 Au B3 Cl8 Mn2 O4 -","- C368 H320 Au8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0626","0.0462","","","0.0942","0.0999","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518826","12.2946","0.0006","13.8214","0.0006","16.0619","0.0008","88.083","0.002","67.993","0.002","83.916","0.002","2516.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","09_co-planar","","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","- C98 H85 Ag2 B6 Cl16 F Mn4 O8 -","1","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0545","","","0.1447","0.1555","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518827","11.184","0.004","36.556","0.015","13.609","0.004","90","","93.434","0.01","90","","5554","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","09_staggered","","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C53 H48 Ag B3 Cl8 Mn2 O4 -","- C212 H192 Ag4 B12 Cl32 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.1203","0.0977","","","0.1545","0.1631","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518828","18.444","0.009","33.901","0.013","17.285","0.005","90","","113.909","0.017","90","","9880","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","09'_staggered","","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C46 H40 Ag B3 Cl8 Mn2 O4 -","- C368 H320 Ag8 B24 Cl64 Mn16 O32 -","8","2","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0628","0.0481","","","0.1107","0.1189","","","","","","1.057","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1518829","11.0743","0.0018","36.198","0.009","13.711","0.004","90","","93.21","0.02","90","","5488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","10","","- C53 H48 B3 Cl8 Cu Mn2 O4 -","- C53.007 H48.008 B3 Cl8 Cu Mn2 O4 -","- C212.028 H192.032 B12 Cl32 Cu4 Mn8 O16 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0821","0.0687","","","0.1331","0.137","","","","","","1.229","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518830","11.952","0.004","14.576","0.005","20.573","0.006","70.672","0.014","73.21","0.017","68.233","0.018","3084","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11","","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C55 H50 B3 Cl12 Cu2 Mn3 O6 -","- C110 H100 B6 Cl24 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0391","0.0299","","","0.0747","0.079","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518831","11.301","0.004","14.461","0.003","21.311","0.007","97.172","0.014","96.19","0.03","102.139","0.018","3345.8","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","11'","","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C67 H62 B3 Cl8 Cu2 Mn3 O6 -","- C134 H124 B6 Cl16 Cu4 Mn6 O12 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.069","0.0496","","","0.1287","0.1408","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518832","12.38","0.003","15.772","0.005","18.327","0.004","83.065","0.019","74.699","0.013","81.63","0.02","3402.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H50 Au B F24 P2 -","- C75 H50 Au B F24 P2 -","- C150 H100 Au2 B2 F48 P4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong","Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments","Chem. Sci.","2015","6","5","2989","","10.1039/C5SC00211G","","","0.71073","MoKα","","0.0647","0.0468","","","0.103","0.1105","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518833","5.12219","0.0001","5.25881","0.0001","17.6394","0.0004","95.2896","0.0013","92.3561","0.0014","101.217","0.0013","463.236","0.017","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","1","0.5","","Kanosue, Kenta; Shimosaka, Takamichi; Wakita, Junji; Ando, Shinji","Polyimide and Imide Compound Exhibiting Bright Red Fluorescence with Very Large Stokes Shifts via Excited-State Intramolecular Proton Transfer","Macromolecules","2015","48","6","1777","","10.1021/ma502456f","","","1.54186","CuKα","","0.0706","0.0547","","","0.1537","0.1603","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518834","7.01187","0.00014","7.01187","","14.8008","0.0005","90","","90","","120","","630.21","0.02","7","","7","","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","","","","- B10 D10 Li2 -","- B10 D10 Li2 -","- B30 D30 Li6 -","3","0.25","","Wu, Hui; Tang, Wan Si; Stavila, Vitalie; Zhou, Wei; Rush, John J.; Udovic, Terrence J.","Structural Behavior of Li2B10H10","The Journal of Physical Chemistry C","2015","","","150312100216002","","10.1021/acs.jpcc.5b00533","powder diffraction","neutron","1.5398","","","","","","","","","0.03857","","1.06","","","","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1518835","11.758","0.0009","8.484","0.0007","15.5086","0.0013","90","","108.036","0.0017","90","","1471","0.2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 F6 I Pt -","- C12 H15 F6 I Pt -","- C48 H60 F24 I4 Pt4 -","4","1","","Xu, Long; Solowey, Douglas P.; Vicic, David A.","Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative","Organometallics","2015","34","14","3474","","10.1021/acs.organomet.5b00045","","","0.71073","MoKα","","0.0862","0.0728","","","0.2102","0.2387","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518836","6.7555","0.0007","16.2492","0.0016","10.9159","0.0011","90","","102.77","0.002","90","","1168.6","0.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F6 Pt -","- C11 H12 F6 Pt -","- C44 H48 F24 Pt4 -","4","1","","Xu, Long; Solowey, Douglas P.; Vicic, David A.","Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative","Organometallics","2015","34","14","3474","","10.1021/acs.organomet.5b00045","","","0.71073","MoKα","","0.0331","0.026","","","0.052","0.055","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518837","17.6565","0.0019","8.8261","0.0009","10.6223","0.0011","90","","121.743","0.002","90","","1407.7","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F6 N2 Pt -","- C13 H10 F6 N2 Pt -","- C52 H40 F24 N8 Pt4 -","4","0.5","","Xu, Long; Solowey, Douglas P.; Vicic, David A.","Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative","Organometallics","2015","34","14","3474","","10.1021/acs.organomet.5b00045","","","0.71073","MoKα","","0.0853","0.0773","","","0.1623","0.1691","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518838","6.341","0.0014","8.327","0.002","11.491","0.003","102.145","0.006","93.505","0.005","100.07","0.005","581","0.2","142","2","142","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F4 O2 Pt -","- C11 H12 F4 O2 Pt -","- C22 H24 F8 O4 Pt2 -","2","1","","Xu, Long; Solowey, Douglas P.; Vicic, David A.","Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative","Organometallics","2015","34","14","3474","","10.1021/acs.organomet.5b00045","","","0.71073","MoKα","","0.0515","0.0488","","","0.1254","0.128","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518839","9.8403","0.0011","16.142","0.0018","13.3723","0.0015","90","","96.328","0.002","90","","2111.1","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F6 N2 Pt -","- C21 H24 F6 N2 Pt -","- C84 H96 F24 N8 Pt4 -","4","1","","Xu, Long; Solowey, Douglas P.; Vicic, David A.","Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative","Organometallics","2015","34","14","3474","","10.1021/acs.organomet.5b00045","","","0.71073","MoKα","","0.0221","0.0206","","","0.0488","0.05","","","","","","1.238","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518840","8.48075","0.00019","12.3163","0.0002","13.7435","0.0003","81.919","0.0017","81.3926","0.0018","70.9432","0.0019","1335.1","0.05","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 N4 P Ti -","- C29 H39 N4 P Ti -","- C58 H78 N8 P2 Ti2 -","2","1","","Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals","Organometallics","2015","34","6","1118","","10.1021/acs.organomet.5b00065","","x-ray","1.5418","CuKα","","0.0265","0.026","","","0.0666","0.0669","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518841","17.6285","0.00016","10.81736","0.0001","30.9896","0.0003","90","","90","","90","","5909.53","0.1","120","1","120","1","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C28 H33 F3 N3 O3 P S Zr -","- C28 H33 F3 N3 O3 P S Zr -","- C224 H264 F24 N24 O24 P8 S8 Zr8 -","8","2","","Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim","Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals","Organometallics","2015","34","6","1118","","10.1021/acs.organomet.5b00065","","x-ray","0.71073","MoKα","","0.0583","0.0552","","","0.1205","0.1216","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518842","5.9536","0.0018","7.269","0.002","31.978","0.011","90","","90","","90","","1383.9","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 F O2 S -","- C15 H13 F O2 S -","- C60 H52 F4 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.1027","0.0552","","","0.1143","0.1533","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518843","6.0325","0.0007","20.594","0.002","14.3515","0.0015","90","","97.425","0.005","90","","1768","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1HF1027B","4aba","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0796","0.0479","","","0.1067","0.12","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518844","10.6026","0.0004","12.0053","0.0004","16.5199","0.0006","90","","105.806","0.002","90","","2023.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lm1iv2-O11-3","4aha","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.072","0.048","","","0.1066","0.1173","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518845","19.6584","0.0005","6.7792","0.0002","14.62","0.0004","90","","104.609","0.001","90","","1885.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lm1HF1105B","4aia","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando","Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans","Chem. Sci.","2015","6","5","2903","","10.1039/C5SC00295H","","x-ray","0.71073","MoKα","","0.0565","0.0417","","","0.1095","0.1189","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518846","5.928","0.0004","7.6682","0.0005","11.3533","0.0008","90","","95.944","0.003","90","","513.31","0.06","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H9 Br Cl N O2 -","- C10 H9 Br Cl N O2 -","- C20 H18 Br2 Cl2 N2 O4 -","2","1","","Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao","Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion","Chem. Sci.","2015","6","5","3044","","10.1039/C5SC00221D","","","0.71073","MoKα","","0.0283","0.0264","","","0.054","0.0544","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518847","13.2773","0.001","19.3218","0.0016","14.0515","0.0011","90","","90","","90","","3604.8","0.5","165","2","165","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","μ hydroxo-μ oximato-O-(4,4-dimethyl-8-ethyl-5,8-diazaoctan-2-one oxime κ^3^-N,N',N"")copper(II) (4,4-dimethyl-8-ethyl-5,8-diazaoctan-2- one oximato κ^3^ N,N'N"")copper(II) diperchlorate","","- C24 H54 Cl2 Cu2 N6 O11 -","- C24 H54 Cl2 Cu2 N6 O11 -","- C96 H216 Cl8 Cu8 N24 O44 -","4","1","","Neil F. Curtis; Kelly Flood; Ward T. Robinson","An asymmetrical dinuclear copper(II) beta-amino-oxime/oximato-diamine compound with Cu-(OH)-Cu and Cu-(N-O)-Cu bridging; [Cu2(detenoxH)(detenox)(OH)](ClO4)2 (detenoxH = 4,4-dimethyl-7-(N,N-diethylamine)-5-azaheptan-2-one oxime)","Inorganica Chimica Acta","2015","424","","173","175","","","","0.71073","MoKα","","0.0401","0.033","","","0.0725","0.0751","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518848","9.1375","0.0002","18.2232","0.0005","17.7988","0.0005","90","","95.357","0.002","90","","2950.81","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H58 O12 Ru2 -","- C68 H58 O12 Ru2 -","- C136 H116 O24 Ru4 -","2","0.5","","Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres","Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand","Inorganica Chimica Acta","2015","424","","176","185","","","","0.71073","MoKα","","0.055","0.0376","","","0.0958","0.109","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518849","8.2501","0.0008","15.522","0.0014","31.598","0.003","90","","93.455","0.002","90","","4039","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N2 Ni O8 -","- C44 H44 N2 Ni O8 -","- C176 H176 N8 Ni4 O32 -","4","1","","Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres","Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand","Inorganica Chimica Acta","2015","424","","176","185","","","","0.71073","MoKα","","0.1472","0.0528","","","0.1178","0.1677","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518850","16.91","0.003","19.838","0.005","22.694","0.005","112.072","0.004","98.823","0.005","97.444","0.005","6824","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H56 N4 Ni2 O9.5 -","- C80 H56 N4 Ni2 O9.5 -","- C320 H224 N16 Ni8 O38 -","4","2","","Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres","Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand","Inorganica Chimica Acta","2015","424","","176","185","10.1016/j.ica.2014.07.063","","","0.71073","MoKα","","0.3344","0.1118","","","0.2388","0.3626","","","","","","0.902","","","","has coordinates","217275","2020-10-21","18:00:00",""
"1518851","22.85","0.008","22.509","0.01","10.561","0.006","90","","84.51","0.03","90","","5407","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H46 N2 Ni2 O8 -","- C70 H46 N2 Ni2 O8 -","- C280 H184 N8 Ni8 O32 -","4","1","","Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres","Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand","Inorganica Chimica Acta","2015","424","","176","185","","","","0.71073","MoKα","","0.1514","0.0542","","","0.1132","0.1595","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518852","8.4009","0.0013","8.9051","0.0014","12.0229","0.0019","98.324","0.003","98.474","0.003","91.035","0.003","879.5","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 F12 N2 -","- C17 H8 F12 N2 -","- C34 H16 F24 N4 -","2","1","","Yasuko Harada; Takahisa Ikeue; Yuki Ide; Yuko Kimura; Ichiro Hiromitsu; Daisuke Yoshioka; Masahiro Mikuriya; Yusuke Kataoka; Makoto Handa","Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N'-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion","Inorganica Chimica Acta","2015","424","","186","193","","","","0.71073","MoKα","","0.0577","0.042","","","0.1052","0.1103","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518853","17.824","0.003","17.216","0.003","19.753","0.003","90","","114.089","0.003","90","","5533.5","1.6","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl7 F24 N4 O5 Ru2 -","- C43 H28 Cl7 F24 N4 O5 Ru2 -","- C172 H112 Cl28 F96 N16 O20 Ru8 -","4","1","","Yasuko Harada; Takahisa Ikeue; Yuki Ide; Yuko Kimura; Ichiro Hiromitsu; Daisuke Yoshioka; Masahiro Mikuriya; Yusuke Kataoka; Makoto Handa","Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N'-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion","Inorganica Chimica Acta","2015","424","","186","193","","","","0.71073","MoKα","","0.1213","0.0415","","","0.0709","0.0811","","","","","","0.74","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518854","19.665","0.003","16.144","0.002","24.095","0.004","90","","113.993","0.002","90","","6988.5","1.8","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Cl F36 N6 O3 Ru2 -","- C62 H44 Cl F36 N6 O3 Ru2 -","- C248 H176 Cl4 F144 N24 O12 Ru8 -","4","1","","Yasuko Harada; Takahisa Ikeue; Yuki Ide; Yuko Kimura; Ichiro Hiromitsu; Daisuke Yoshioka; Masahiro Mikuriya; Yusuke Kataoka; Makoto Handa","Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N'-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion","Inorganica Chimica Acta","2015","424","","186","193","","","","0.71073","MoKα","","0.0851","0.0392","","","0.0763","0.0913","","","","","","0.816","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518855","27.041","0.005","11.654","0.002","22.017","0.004","90","","126.38","0.0015","90","","5586.1","1.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H84 N12 O15 Pt2 Rh2 -","- C32 H84 N12 O15 Pt2 Rh2 -","- C128 H336 N48 O60 Pt8 Rh8 -","4","0.5","","Kazuhiro Uemura; Tomofumi Yamada; Toru Kanbara; Masahiro Ebihara","Acetamidate-bridged paddlewheel dirhodium complex sandwiched by mononuclear platinum complexes with axial metal-metal bonds affording neutral heterometallic one-dimensional alignments","Inorganica Chimica Acta","2015","424","","194","201","","","","0.7107","MoKα","","0.0333","0.0303","","","0.0679","0.0701","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518856","11.1632","0.0001","14.5311","0.0002","15.83","0.0002","90","","90.206","0.001","90","","2567.82","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47.53 H82 O11.52 P2 Ru2 -","- C47.526 H78 O11.526 P2 Ru2 -","- C95.052 H156 O23.052 P4 Ru4 -","2","0.5","","Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino","Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores","Inorganica Chimica Acta","2015","424","","202","209","","","","0.71073","MoKα","","0.029","0.0246","","","0.0595","0.0618","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518857","9.5805","0.0005","11.8587","0.0006","13.124","0.0006","76.919","0.001","79.294","0.001","68.919","0.001","1346.19","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H92 O12 P2 Ru2 -","- C48 H92 O12 P2 Ru2 -","- C48 H92 O12 P2 Ru2 -","1","0.5","","Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino","Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores","Inorganica Chimica Acta","2015","424","","202","209","","","","0.71073","MoKα","","0.0297","0.0263","","","0.0676","0.0702","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518858","10.2918","0.0008","15.1858","0.0012","19.3795","0.0015","68.742","0.001","84.919","0.001","88.638","0.001","2811.5","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H98.5 O12.5 P2 Ru2 -","- C48.5 H84.5 O12.5 P2 Ru2 -","- C97 H169 O25 P4 Ru4 -","2","1","","Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino","Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores","Inorganica Chimica Acta","2015","424","","202","209","","","","0.71073","MoKα","","0.0741","0.0464","","","0.1121","0.1266","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518859","9.815","0.0002","12.0513","0.0002","13.7589","0.0002","89.334","0.001","70.156","0.001","66.544","0.001","1389.86","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H82 O12.5 P2 Ru2 -","- C48.5 H72 O12.5 P2 Ru2 -","- C48.5 H72 O12.5 P2 Ru2 -","1","0.5","","Elizabeth G. Corkum; Ruiyao Wang; Manuel A.S. Aquino","Compromising the metal-metal bond in diruthenium(II,III) tetraacetate: Reaction of [Ru2(mu-O2CMe)4(MeOH)2]+ with phosphines to form 'Ru(mu-O2CMe)2(mu-OMe)2Ru' cores","Inorganica Chimica Acta","2015","424","","202","209","","","","0.71073","MoKα","","0.0489","0.043","","","0.1138","0.1198","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518860","11.3474","0.0011","11.756","0.0011","17.0657","0.0016","93.187","0.005","103.746","0.005","118.08","0.004","1913.5","0.3","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C36 H42 B6 Br4 F24 Mo4 N14 O4 -","- C36 H42 B6 Br4 F24 Mo4 N14 O4 -","- C36 H42 B6 Br4 F24 Mo4 N14 O4 -","1","0.5","","Dominik Hohne; Eberhardt Herdtweck; Alexander Pothig; Fritz E. Kuhn","Synthesis and characterization of dimeric and square-shaped dicarboxylate-bridged dimolybdenum(II) coordination compounds","Inorganica Chimica Acta","2015","424","","210","215","","","","0.71073","MoKα","","0.0409","0.0337","","","0.0906","0.0948","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518861","12.4639","0.0007","17.9126","0.0011","20.0691","0.0012","70.855","0.003","87.566","0.003","80.438","0.003","4173.7","0.4","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C72 H80 B8 F32 Mo8 N24 O16 S4 -","- C72 H80 B8 F32 Mo8 N24 O16 S4 -","- C72 H80 B8 F32 Mo8 N24 O16 S4 -","1","0.5","","Dominik Hohne; Eberhardt Herdtweck; Alexander Pothig; Fritz E. Kuhn","Synthesis and characterization of dimeric and square-shaped dicarboxylate-bridged dimolybdenum(II) coordination compounds","Inorganica Chimica Acta","2015","424","","210","215","","","","0.71073","MoKα","","0.0735","0.0604","","","0.156","0.1637","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518863","12.6659","0.0006","3.9224","0.0001","16.9186","0.0007","90","","99.283","0.004","90","","829.52","0.06","300","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Iridium telluride","","- Ir Se0.4 Te1.6 -","- Ir2 Se0.802667 Te3.19733 -","- Ir12 Se4.816 Te19.184 -","6","0.75","","G. L. Pascut; T. Birol; M. J. Gutmann; J. J. Yang; S.-W. Cheong; K. Haule; V. Kiryukhin","Series of alternating states with unpolarized and spin-polarized bands in dimerized IrTe2","Physical Review B","2015","90","","195122","","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"1518864","7.7656","0.0002","10.9811","0.0002","18.788","0.0005","90","","90","","90","","1602.14","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C64 H76 Br4 O16 -","4","1","","Cen-Pacheco, Francisco; Santiago-Benítez, Adrián J; García, Celina; Álvarez-Méndez, Sergio J; Martín-Rodríguez, Alberto J; Norte, Manuel; Martín, Victor S; Gavín, José A; Fernández, José J; Daranas, Antonio Hernández","Oxasqualenoids from Laurencia viridis: Combined Spectroscopic-Computational Analysis and Antifouling Potential.","Journal of natural products","2015","78","4","712","721","10.1021/np5008922","","x-ray","1.54184","CuKα","","0.0291","0.0278","","","0.07","0.0713","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518865","8.6161","0.0016","8.9124","0.0009","25.571","0.003","90","","99.438","0.009","90","","1937","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Yu, Yang; Tambar, Uttam K.","Palladium-Catalyzed Cross-Coupling of α-Bromocarbonyls and Allylic Alcohols for the Synthesis of α-Aryl Dicarbonyl Compounds.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","5","2777","2781","10.1039/C5SC00505A","","","0.71073","MoKα","","0.0856","0.0449","","","0.0862","0.1016","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518866","13.672","0.001","7.313","0.001","12.481","0.001","90","","94.296","0.001","90","","1244.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Dy N3 O6 -","- C11 H9 Dy N3 O6 -","- C44 H36 Dy4 N12 O24 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.0186","0.0174","","","0.0471","0.048","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518867","13.655","0.001","7.278","0.001","12.428","0.001","90","","94.424","0.001","90","","1231.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O6 Y -","- C11 H9 N3 O6 Y -","- C44 H36 N12 O24 Y4 -","4","1","","Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer","Chem. Sci.","2015","6","5","3095","","10.1039/C5SC00491H","","","0.71073","MoKα","","0.03","0.0248","","","0.0735","0.0763","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518868","6.2991","0.0002","10.5035","0.0004","24.7572","0.0009","90","","90","","90","","1638","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Zhao, Ming; Onakpa, Michael Monday; Chen, Wei-Lun; Santarsiero, Bernard D.; Swanson, Steven M.; Burdette, Joanna E.; Asuzu, Isaac Uzoma; Che, Chun-Tao","17-Norpimaranes and (9βH)-17-Norpimaranes from the Tuber of Icacina trichantha.","Journal of natural products","2015","78","4","789","796","10.1021/np5010328","","","1.54178","CuKα","","0.0331","0.033","","","0.0787","0.0788","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518869","8.8838","0.0004","20.6864","0.001","22.5136","0.0011","68.276","0.003","78.717","0.003","89.509","0.003","3760","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N6 O10 -","- C42 H34 N6 O10 -","- C168 H136 N24 O40 -","4","2","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.133","0.1173","","","0.266","0.2734","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518870","10.4583","0.0009","13.5669","0.0012","19.947","0.0017","76.564","0.004","75.557","0.004","80.757","0.004","2649.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H57.75 N7 O7 -","- C67 H57.749 N7 O7 -","- C134 H115.498 N14 O14 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose","Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes","Chem. Sci.","2015","6","5","3087","","10.1039/C5SC00790A","","","1.54178","CuKα","","0.0662","0.0568","","","0.1263","0.1316","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518871","5.594","0.00016","47.1662","0.0011","9.2545","0.0003","90","","103.425","0.003","90","","2375.06","0.12","279.88","0.1","279.88","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Xu, Bingjia; He, Jiajun; Mu, Yingxiao; Zhu, Qiangzhong; Wu, Sikai; Wang, Yifan; Zhang, Yi; Jin, Chongjun; Lo, Changcheng; Chi, Zhenguo; Lien, Alan; Liu, Siwei; Xu, Jiarui","Very bright mechanoluminescence and remarkable mechanochromism using a tetraphenylethene derivative with aggregation-induced emission","Chem. Sci.","2015","6","5","3236","","10.1039/C5SC00466G","","","1.54184","CuKα","","0.066","0.0566","","","0.1381","0.1437","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518872","4.3974","0.0009","4.3974","0.0009","9.871","0.004","90","","90","","90","","190.88","0.1","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al2 Ce Pd2 -","- Al2 Ce Pd2 -","- Al4 Ce2 Pd4 -","2","0.125","","Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz","CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.","Inorganic chemistry","2015","54","7","3439","3445","10.1021/ic503110c","","","0.56085","AgKα","","0.0243","0.0174","","","0.0696","0.0779","","","","","","0.646","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518873","4.3045","0.0007","4.3045","0.0007","13.4426","0.0018","90","","90","","90","","249.07","0.07","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al2.96 Ce Pd3.04 -","- Al2.96 Ce Pd3.04 -","- Al5.92 Ce2 Pd6.08 -","2","0.125","","Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz","CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.","Inorganic chemistry","2015","54","7","3439","3445","10.1021/ic503110c","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0829","1.398","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518874","4.325","0.002","4.325","0.002","16.23","0.005","90","","90","","90","","303.6","0.2","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Al3.94 Ce Pd4.07 -","- Al3.934 Ce Pd4.066 -","- Al7.868 Ce2 Pd8.132 -","2","0.125","","Tursina, Anna; Khamitcaeva, Emma; Gribanov, Alexander; Gnida, Daniel; Kaczorowski, Dariusz","CePd2Al2, CePd3Al3, and CePd4Al4-A New Homologous Series Built of CaBe2Ge2- and CsCl-type Units.","Inorganic chemistry","2015","54","7","3439","3445","10.1021/ic503110c","","","0.56087","AgKα","","0.0917","0.046","","","0.1109","0.1352","","","","","","0.816","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518875","22.502","0.002","12.882","0.0012","21.773","0.0014","90","","98.995","0.005","90","","6233.7","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H84 N0 O26 Zn8 -","- C42 H84 O26 Zn8 -","- C168 H336 O104 Zn32 -","4","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.1605","0.0956","","","0.191","0.2492","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518876","9.5731","0.0004","10.8542","0.0006","13.0771","0.0007","77.371","0.002","83.044","0.003","80.914","0.003","1304.01","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","- C38 H64 O26 Zn8 -","1","0.5","","Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz","Development of zinc alkyl/air systems as radical initiators for organic reactions","Chem. Sci.","2015","6","5","3102","","10.1039/C5SC00600G","","","0.71073","MoKα","","0.0535","0.0391","","","0.0774","0.0831","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518877","14.2413","0.0007","19.4418","0.0009","17.8883","0.0008","90","","107.095","0.002","90","","4734","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","compound 4","","- C50 H71 B Li2 N2 O5 Si -","- C50 H71 B Li2 N2 O5 Si -","- C200 H284 B4 Li8 N8 O20 Si4 -","4","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.091","0.0507","","","0.1149","0.1265","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518878","8.8424","0.0006","12.4631","0.0009","16.1075","0.0012","105.517","0.004","91.645","0.003","106.554","0.003","1628.9","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","compound Zr-1","","- C34 H39 B Cl2 N2 O Si Zr -","- C34 H39 B Cl2 N2 O Si Zr -","- C68 H78 B2 Cl4 N4 O2 Si2 Zr2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0341","0.0259","","","0.0629","0.0659","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518879","9.9361","0.0007","12.4723","0.0008","15.9","0.0011","84.293","0.003","73.108","0.003","83.935","0.003","1870","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","compound Zr-2","","- C40 H47 B Cl2 N2 Si Zr -","- C40 H47 B Cl2 N2 Si Zr -","- C80 H94 B2 Cl4 N4 Si2 Zr2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0304","0.0253","","","0.0659","0.0685","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518880","8.8119","0.0005","12.4637","0.0007","16.1223","0.0009","105.491","0.003","91.532","0.003","106.268","0.002","1628.15","0.16","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","compound Hf-1","","- C34 H39 B Cl2 Hf N2 O Si -","- C34 H39 B Cl2 Hf N2 O Si -","- C68 H78 B2 Cl4 Hf2 N4 O2 Si2 -","2","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.0314","0.0242","","","0.052","0.0541","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518881","21.8109","0.0017","13.5026","0.0011","17.5034","0.0016","90","","90","","90","","5154.8","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","compound 3","","- C30 H33 B N2 Si -","- C30 H33 B N2 Si -","- C240 H264 B8 N16 Si8 -","8","1","","Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.","Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization","Polym. Chem.","2015","6","17","3290","","10.1039/C5PY00303B","","","0.71073","MoKα","","0.1145","0.0481","","","0.0802","0.0912","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1518882","13.468","0.002","14.272","0.002","20.836","0.003","85.98","0.02","89.96","0.02","87.39","0.02","3991","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82.5 H86 B Cr F24 N2 -","- C82.5 H86 B Cr F24 N2 -","- C165 H172 B2 Cr2 F48 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0614","0.038","","","0.0802","0.0898","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518883","16.958","0.003","10.973","0.002","22.073","0.005","90","","108.91","0.02","90","","3885.7","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 Cr N2 -","- C40 H62 Cl2 Cr N2 -","- C160 H248 Cl8 Cr4 N8 -","4","0.5","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.033","0.0277","","","0.0697","0.0727","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518884","9.636","0.002","12.053","0.002","19.94","0.003","102.29","0.02","95.37","0.02","106.71","0.02","2137.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Cr N2 -","- C47 H70 Cl Cr N2 -","- C94 H140 Cl2 Cr2 N4 -","2","1","","Samuel, Prinson P.; Neufeld, Roman; Chandra Mondal, Kartik; Roesky, Herbert W.; Herbst-Irmer, Regine; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Rojisha, Vallyanga Chalil; De, Susmita; Parameswaran, Pattiyil; Stückl, A. Claudia; Kaim, Wolfgang; Christian, Jonathan H.; Bindra, Jasleen K.; Dalal, Naresh S.","Cr(i)Cl as well as Cr+are stabilised between two cyclic alkyl amino carbenes","Chem. Sci.","2015","6","5","3148","","10.1039/C5SC00646E","","","0.71073","MoKα","","0.0467","0.0341","","","0.0752","0.0814","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518885","21.7412","0.0012","22.4139","0.0012","23.3765","0.0014","61.526","0.003","88.2","0.003","64.395","0.003","8808.3","1","","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C186 H122 N18 O60 Ru12 -","","","1","0.5","","Mark D. Young; Qiang Zhang; Hong-Cai Zhou","Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels","Inorganica Chimica Acta","2015","424","","216","220","10.1016/j.ica.2014.09.010","","x-ray","0.71069","MoKα","","","0.0661","","","0.1778","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518886","21.683","0.003","22.212","0.003","22.233","0.002","64.954","0.002","75.01","0.002","84.508","0.002","9370","2","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C168 H82 N12 O60 Ru12 -","","","1","0.5","","Mark D. Young; Qiang Zhang; Hong-Cai Zhou","Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels","Inorganica Chimica Acta","2015","424","","216","220","10.1016/j.ica.2014.09.010","","x-ray","0.71069","MoKα","","","0.1212","","","0.3774","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518887","29.682","0.007","29.682","0.007","41.882","0.012","90","","90","","90","","36899","16","","","213","","","","","","","","","6","I 4/m","-I 4","87","","","","- C336 H396 Cl12 N12 O108 Ru24 -","","","2","0.125","","Mark D. Young; Qiang Zhang; Hong-Cai Zhou","Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels","Inorganica Chimica Acta","2015","424","","216","220","10.1016/j.ica.2014.09.010","","x-ray","0.71069","MoKα","","","0.0829","","","0.2678","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518888","22.275","0.004","25.028","0.004","25.332","0.007","109.588","0.003","112.588","0.003","103.58","0.002","11160","4","","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C192 H96 O120 Ru24 -","","","1","0.5","","Mark D. Young; Qiang Zhang; Hong-Cai Zhou","Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels","Inorganica Chimica Acta","2015","424","","216","220","10.1016/j.ica.2014.09.010","","x-ray","0.71069","MoKα","","","0.0545","","","0.1451","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518889","7.8619","0.0012","14.832","0.002","23.03","0.003","90","","90","","90","","2685.5","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O9 -","- C30 H36 O9 -","- C120 H144 O36 -","4","1","","Yan, Ying; Zhang, Jian-Xin; Huang, Tao; Mao, Xin-Ying; Gu, Wei; He, Hong-Ping; Di, Ying-Tong; Li, Shun-Lin; Chen, Duo-Zhi; Zhang, Yu; Hao, Xiao-Jiang","Bioactive Limonoid Constituents of Munronia henryi.","Journal of natural products","2015","78","4","811","821","10.1021/np501057f","","","0.71073","MoKα","","0.1396","0.1315","","","0.2838","0.2878","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518890","20.9864","0.0005","26.4023","0.0006","3.98755","0.00009","90","","90","","90","","2209.46","0.09","100","2","100","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo7.62 O29.23 V2.38 -","- Mo7.625 O29.23 V2.3745 -","- Mo30.5 O116.92 V9.498 -","4","1","","Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru","Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane","The Journal of Physical Chemistry C","2015","119","13","7195","","10.1021/jp512848w","","","0.83077","Synchrotron","","0.0413","0.0351","","","0.079","0.0832","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518891","9.29143","0.00017","10.36338","0.00019","14.7858","0.0003","90","","90","","90","","1423.73","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C64 H60 N4 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Tasaka, Tomohiko Tasaka; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl-1,5-benzothiazepine and Its S-Oxide as Vasopres-sin Receptor Ligands: Insight into the Active Stereochemistry around the 7-Membered Ring.","Journal of medicinal chemistry","2015","","","150324093458001","","10.1021/acs.jmedchem.5b00289","","","1.54187","CuKα","","","0.0308","","","","0.0468","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518892","7.822","0.0002","12.4501","0.0004","17.1803","0.0006","90","","90","","90","","1673.1","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.0444","0.0408","","","0.1041","0.1074","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518893","7.7793","0.0001","11.7726","0.0001","19.7352","0.0003","90","","90","","90","","1807.4","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.0356","0.0344","","","0.092","0.0931","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518894","7.1335","0.0001","8.3601","0.0001","26.2049","0.0005","90","","90","","90","","1562.78","0.04","99.9","0.14","99.9","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0818","0.0834","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518895","10.6569","0.0004","18.1443","0.0005","26.9876","0.0008","90","","92.5022","0.0009","90","","5213.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H67 Cl O P2 Ru Si -","- C57.5 H52 Cl O P2 Ru Si -","- C230 H208 Cl4 O4 P8 Ru4 Si4 -","4","1","","Komuro, Takashi; Arai, Takafumi; Kikuchi, Kei; Tobita, Hiromi","Synthesis of Ruthenium Complexes with a NonspectatorSi,O,P-Chelate Ligand: Interconversion between a Hydrido(η2-silane) Complex and a Silyl Complex Leading to Catalytic Alkene Hydrogenation","Organometallics","2015","34","7","1211","","10.1021/om5011885","","","0.71069","MoKα","","0.1064","0.0857","","","0.1915","0.2047","","","","","","1.246","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518896","11.0035","0.0001","11.187","0.0002","22.7319","0.0005","91.9741","0.0005","93.1478","0.0008","118.088","0.0018","2459.15","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H59 Cl O P2 Ru Si -","- C55 H59 Cl O P2 Ru Si -","- C110 H118 Cl2 O2 P4 Ru2 Si2 -","2","1","","Komuro, Takashi; Arai, Takafumi; Kikuchi, Kei; Tobita, Hiromi","Synthesis of Ruthenium Complexes with a NonspectatorSi,O,P-Chelate Ligand: Interconversion between a Hydrido(η2-silane) Complex and a Silyl Complex Leading to Catalytic Alkene Hydrogenation","Organometallics","2015","34","7","1211","","10.1021/om5011885","","","0.71069","MoKα","","0.1071","0.0753","","","0.1536","0.1692","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518897","8.37197","0.00009","15.71819","0.00018","13.73371","0.00017","90","","92.8873","0.0011","90","","1804.96","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl F Ir N -","- C21 H22 Cl F Ir N -","- C84 H88 Cl4 F4 Ir4 N4 -","4","1","","Millett, Adam J.; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.","Contrasting Anticancer Activity of Half-Sandwich Iridium(III) Complexes Bearing Functionally Diverse 2-Phenylpyridine Ligands.","Organometallics","2015","34","11","2683","2694","10.1021/acs.organomet.5b00097","","","0.71073","MoKα","","0.0189","0.0172","","","0.0374","0.0381","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518898","8.27453","0.00011","15.70747","0.00016","13.83772","0.00014","90","","93.1162","0.0011","90","","1795.86","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl F Ir N -","- C21 H22 Cl F Ir N -","- C84 H88 Cl4 F4 Ir4 N4 -","4","1","","Millett, Adam J.; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.","Contrasting Anticancer Activity of Half-Sandwich Iridium(III) Complexes Bearing Functionally Diverse 2-Phenylpyridine Ligands.","Organometallics","2015","34","11","2683","2694","10.1021/acs.organomet.5b00097","","","0.71073","MoKα","","0.0225","0.0199","","","0.0478","0.049","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518899","11.681","0.0009","12.2354","0.0009","14.2356","0.001","75.848","0.002","69.993","0.002","67.549","0.002","1751.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H72 Cl4 Dy4 N20 O14 -","- C56 H72 Cl4 Dy4 N20 O14 -","- C56 H72 Cl4 Dy4 N20 O14 -","1","0.5","","Liu, Jiang; Chen, Yan-Cong; Jiang, Zhong-Xia; Liu, Jun-Liang; Jia, Jian-Hua; Wang, Long-Fei; Li, Quan-Wen; Tong, Ming-Liang","Efficient enhancement of magnetic anisotropy by optimizing the ligand-field in a typically tetranuclear dysprosium cluster.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8150","8155","10.1039/c5dt00880h","","","0.71073","MoKα","","0.0693","0.0571","","","0.1372","0.1458","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518900","11.6203","0.0009","12.2946","0.0008","14.2923","0.001","75.951","0.002","70.984","0.002","68.022","0.002","1773.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H72 Br4 Dy4 N20 O14 -","- C56 H72 Br4 Dy4 N20 O14 -","- C56 H72 Br4 Dy4 N20 O14 -","1","0.5","","Liu, Jiang; Chen, Yan-Cong; Jiang, Zhong-Xia; Liu, Jun-Liang; Jia, Jian-Hua; Wang, Long-Fei; Li, Quan-Wen; Tong, Ming-Liang","Efficient enhancement of magnetic anisotropy by optimizing the ligand-field in a typically tetranuclear dysprosium cluster.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8150","8155","10.1039/c5dt00880h","","","0.71073","MoKα","","0.0947","0.0578","","","0.1096","0.125","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518901","13.6142","0.0006","19.6861","0.0008","27.5279","0.0009","90","","116.169","0.002","90","","6621.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H79 O4 P3 Zn2 -","- C76 H79 O4 P3 Zn2 -","- C304 H316 O16 P12 Zn8 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel","P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12376","12387","10.1039/c5dt00458f","","","0.71073","MoKα","","0.0872","0.056","","","0.1121","0.1288","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518902","13.3231","0.0008","13.0236","0.0008","11.3086","0.0007","90","","95.911","0.002","90","","1951.8","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H25 O P -","- C23 H25 O P -","- C92 H100 O4 P4 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel","P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12376","12387","10.1039/c5dt00458f","","","0.71073","MoKα","","0.0581","0.0401","","","0.0803","0.0871","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518903","9.528","0.009","9.803","0.009","11.432","0.011","73.14","0.02","89.54","0.02","74.29","0.02","980.8","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 O2 P2 Zn2 -","- C44 H46 O2 P2 Zn2 -","- C44 H46 O2 P2 Zn2 -","1","0.5","","Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel","P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12376","12387","10.1039/c5dt00458f","","","0.71073","MoKα","","0.1903","0.0855","","","0.1796","0.2212","","","","","","0.95","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518904","12.2606","0.0009","13.4731","0.0009","25.2245","0.0018","100.95","0.002","91.257","0.002","114.877","0.001","3687","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 O4 P4 Zn2 -","- C80 H72 O4 P4 Zn2 -","- C160 H144 O8 P8 Zn4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel","P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12376","12387","10.1039/c5dt00458f","","","0.71073","MoKα","","0.081","0.0427","","","0.0843","0.0931","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518905","4.03807","0.00014","9.6563","0.0002","14.1332","0.0003","78.7","0.002","86.786","0.002","84.501","0.002","537.53","0.02","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O2 -","- C32 H22 O2 -","- C32 H22 O2 -","1","0.5","","Niu, Caixia; Liu, Qiuling; Shang, Zhehai; Zhao, Liu; Ouyang, Jin","Dual-emission fluorescent sensor based on AIE organic nanoparticles and Au nanoclusters for the detection of mercury and melamine.","Nanoscale","2015","7","18","8457","8465","10.1039/c5nr00554j","","","1.54184","CuKα","","0.0447","0.0405","","","0.1086","0.1132","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518906","13.707","0.002","6.3468","0.001","13.269","0.003","90","","103.472","0.008","90","","1122.6","0.4","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C68 H36 O4 -","2","0.5","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.0409","0.0302","","","0.0873","0.1011","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518907","18.9562","0.0015","15.493","0.0015","14.8168","0.0014","90","","90","","90","","4351.5","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H16 O2 -","- C34 H16 O2 -","- C272 H128 O16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.1353","0.0651","","","0.1611","0.19","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518908","34.006","0.002","7.6167","0.0005","36.832","0.002","90","","90","","90","","9540","1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C59 H61 Si2 -","- C59 H61 Si2 -","- C472 H488 Si16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.175","0.0778","","","0.1623","0.2072","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518909","21.441","0.005","21.441","0.005","9.655","0.002","90","","90","","90","","4438.6","1.7","283","2","283","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C31 H32 N3 O8 Zn -","- C31.04 H32.08 N3 O8 Zn -","- C124.16 H128.32 N12 O32 Zn4 -","4","0.5","","Takashi Kitao; Yuta Tokunaga; Daiki Umeyama; Cho Rong Kim; Takashi Uemura; Susumu Kitagawa","Synthesis of chiral porous coordination polymer that shows structural transformation induced by guest molecules","Inorganica Chimica Acta","2015","424","","221","225","","","","0.71075","MoKα","","0.0952","0.0862","","","0.2284","0.2342","","","","","","1.509","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518910","21.9612","0.0003","8.8332","0.0002","15.1358","0.0003","90","","114.091","0.0007","90","","2680.41","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N4 O12 W2 -","- C24 H22 N4 O12 W2 -","- C96 H88 N16 O48 W8 -","4","0.5","","Barbara Modec; Peter Bukovec","Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds","Inorganica Chimica Acta","2015","424","","226","234","","","","0.71073","MoKα","","0.028","0.026","","","0.0667","0.0677","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518911","12.90455","0.00009","19.61987","0.00016","16.26954","0.00013","90","","102.499","0.0007","90","","4021.59","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N6 O16 W3 -","- C36 H32 N6 O16 W3 -","- C144 H128 N24 O64 W12 -","4","1","","Barbara Modec; Peter Bukovec","Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds","Inorganica Chimica Acta","2015","424","","226","234","","","","1.54184","CuKα","","0.0329","0.0313","","","0.0777","0.0789","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518912","37.154","0.0004","10.1654","0.0001","19.6631","0.0002","90","","114.239","0.0005","90","","6771.77","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 K N4 O16 W3 -","- C26 H21 K N4 O16 W3 -","- C208 H168 K8 N32 O128 W24 -","8","1","","Barbara Modec; Peter Bukovec","Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds","Inorganica Chimica Acta","2015","424","","226","234","","","","0.71073","MoKα","","0.0221","0.0188","","","0.0426","0.0438","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518913","34.1179","0.0004","10.5434","0.0001","21.3704","0.0003","90","","92.1119","0.0006","90","","7682.11","0.16","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Mo3 N4 O18 -","- C30 H29 Mo3 N4 O18 -","- C240 H232 Mo24 N32 O144 -","8","1","","Barbara Modec; Peter Bukovec","Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds","Inorganica Chimica Acta","2015","424","","226","234","","","","0.71073","MoKα","","0.0567","0.0407","","","0.1083","0.1177","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518914","33.1042","0.0003","10.567","0.0001","24.0814","0.0003","90","","108.876","0.0004","90","","7970.93","0.15","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H37.5 Mo3 N4.5 O17 -","- C31 H31 Mo3 N4 O17 -","- C248 H248 Mo24 N32 O136 -","8","1","","Barbara Modec; Peter Bukovec","Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds","Inorganica Chimica Acta","2015","424","","226","234","","","","0.71073","MoKα","","0.0352","0.0296","","","0.0807","0.0833","","","","","","1.081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518915","18.9002","0.0006","16.1307","0.0005","15.9245","0.0005","90","","112.965","0.002","90","","4470.2","0.3","","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl4 Cr Mo2 N12 -","","","4","0.5","","David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry","Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory","Inorganica Chimica Acta","2015","424","","241","247","","","x-ray","0.71069","MoKα","","","0.0241","","","0.0574","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518916","18.892","0.0005","16.1395","0.0004","15.9997","0.0004","90","","113.56","0.001","90","","4471.8","0.2","","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl4 Cr N12 W2 -","","","4","0.5","","David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry","Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory","Inorganica Chimica Acta","2015","424","","241","247","","","x-ray","0.71069","MoKα","","","0.0247","","","0.0678","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1518917","11.97738","0.00016","19.6767","0.0003","14.88601","0.00019","90","","98.107","0.0012","90","","3473.2","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H96 Br4 Cl4 P6 S4 W3 -","- C51 H96 Br4 Cl4 P6 S4 W3 -","- C102 H192 Br8 Cl8 P12 S8 W6 -","2","1","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.0358","0.0333","","","0.0819","0.084","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518918","15.6097","0.0011","15.6097","0.0011","23.225","0.003","90","","90","","120","","4900.9","0.8","296.15","","296.15","","","","","","","","","7","R 3","R 3","146","","","","- C42 H84 Br3 F6 P7 Se4 W3 -","- C42 H84 Br3 F6 P7 Se4 W3 -","- C126 H252 Br9 F18 P21 Se12 W9 -","3","","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.0365","0.0322","","","0.0838","0.0861","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518919","12.02802","0.00015","24.0309","0.0003","12.3079","0.0002","90","","90.6703","0.0014","90","","3557.28","0.09","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H88 Br4 Cl4 P6 S4 W3 -","- C56 H88 Br4 Cl4 P6 S4 W3 -","- C112 H176 Br8 Cl8 P12 S8 W6 -","2","1","","Eva M. Guillamon; Marta Blasco; Rosa Llusar","Enantioselective synthesis of tungsten trimetallic cluster chalcogenides","Inorganica Chimica Acta","2015","424","","248","253","","","","0.71073","MoKα","","0.067","0.0509","","","0.1125","0.127","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518920","9.9819","0.0009","10.8095","0.001","11.5144","0.001","87.1466","0.0012","66.6155","0.0011","64.9903","0.0011","1022.97","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","cis-dicyclohexylaminediiodoplatinum(II) acetone solvate","","- C15 H32 I2 N2 O Pt -","- C15 H32 I2 N2 O Pt -","- C30 H64 I4 N4 O2 Pt2 -","2","1","","Timothy C. Johnstone; Stephen J. Lippard","Improvements in the synthesis and understanding of the iodo-bridged intermediate en route to the Pt(IV) prodrug satraplatin","Inorganica Chimica Acta","2015","424","","254","259","","","","0.71073","MoKα","","0.0266","0.0259","","","0.0687","0.069","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518921","8.0912","0.0004","9.1934","0.0005","10.6946","0.0006","76.054","0.001","85.749","0.001","68.769","0.001","719.6","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(cis-cyclohexylamineiodo(mu-iodo)platinum(II) acetone solvate","","- C18 H38 I4 N2 O2 Pt2 -","- C18 H38 I4 N2 O2 Pt2 -","- C18 H38 I4 N2 O2 Pt2 -","1","0.5","","Timothy C. Johnstone; Stephen J. Lippard","Improvements in the synthesis and understanding of the iodo-bridged intermediate en route to the Pt(IV) prodrug satraplatin","Inorganica Chimica Acta","2015","424","","254","259","","","","0.71073","MoKα","","0.0182","0.0159","","","0.0351","0.0364","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518922","16.129","0.0007","16.7338","0.0008","20.2239","0.0007","90","","116.502","0.003","90","","4884.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl Co N8 O14 -","- C50 H54 Cl Co N8 O14 -","- C200 H216 Cl4 Co4 N32 O56 -","4","1","","Pradip Ghosh; Suman K. Roy; Debajyoti Ghoshal; Rajat Saha; Golam Mostafa; Sreebrata Goswami","Ionophoric azoaromatics: Synthesis, isolation and complex formation with alkali metal ions","Inorganica Chimica Acta","2015","424","","260","266","","","","0.71073","MoKα","","0.0824","0.0624","","","0.1407","0.1548","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518923","9.1134","0.0015","19.816","0.003","25.634","0.004","90","","95.021","0.005","90","","4611.5","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 Co N8 Na O14 -","- C42 H42 Cl2 Co N8 Na O14 -","- C168 H168 Cl8 Co4 N32 Na4 O56 -","4","1","","Pradip Ghosh; Suman K. Roy; Debajyoti Ghoshal; Rajat Saha; Golam Mostafa; Sreebrata Goswami","Ionophoric azoaromatics: Synthesis, isolation and complex formation with alkali metal ions","Inorganica Chimica Acta","2015","424","","260","266","","","","0.71073","MoKα","","0.0683","0.0521","","","0.1315","0.1445","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518924","7.226","0.001","8.486","0.003","8.626","0.002","95.31","0.02","99.92","0.02","105.63","0.02","496.4","0.2","291","2","291","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H30 F2 O2 P2 -","- C18 H30 F2 O2 P2 -","- C18 H30 F2 O2 P2 -","1","0.5","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","x-ray","0.71073","MoKα","","0.042","0.039","","","0.11","0.113","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518925","7.224","0.001","15.74","0.005","13.056","0.005","90","","109.04","0.02","90","","1403.3","0.7","295","2","295","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F2 Ni2 O2 P2 -","- C28 H38 F2 Ni2 O2 P2 -","- C56 H76 F4 Ni4 O4 P4 -","2","0.5","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","x-ray","0.71073","MoKα","","0.0387","0.0266","","","0.0658","0.0702","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518926","16.448","0.004","14.371","0.004","14.854","0.005","90","","111.96","0.02","90","","3256.4","1.7","291","2","291","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F8 Ni2 O2 P3 -","- C28 H38 F8 Ni2 O2 P3 -","- C112 H152 F32 Ni8 O8 P12 -","4","1","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","x-ray","0.71069","MoKα","","0.0878","0.043","","","0.098","0.1126","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518927","11.026","0.005","10.383","0.002","12.577","0.003","90","","90.45","0.03","90","","1439.8","0.8","291","2","291","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ni2 O2 P2 -","- C28 H40 Ni2 O2 P2 -","- C56 H80 Ni4 O4 P4 -","2","0.5","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","x-ray","0.71073","MoKα","","0.0383","0.0259","","","0.0642","0.0682","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518928","9.6347","0.0007","14.6147","0.001","15.851","0.0008","90","","121.712","0.003","90","","1898.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 F2 Ni2 O2 P2 -","- C40 H30 F2 Ni2 O2 P2 -","- C80 H60 F4 Ni4 O4 P4 -","2","0.5","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","","0.71073","MoKα","","0.0671","0.0577","","","0.1407","0.147","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518929","11.663","0.003","11.84","0.002","17.266","0.004","75.76","0.02","82.07","0.02","68.31","0.02","2144.4","0.9","291","2","291","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C38 H56 F2 N2 Ni2 O4 P2 S2 -","- C38 H56 F2 N2 Ni2 O4 P2 S2 -","- C76 H112 F4 N4 Ni4 O8 P4 S4 -","2","1","","Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius","Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations","Inorganica Chimica Acta","2015","424","","275","285","","","x-ray","0.71073","MoKα","","0.0441","0.0351","","","0.0995","0.1054","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518930","9.8876","0.0007","10.9553","0.0007","11.5406","0.0008","111.679","0.001","94.411","0.001","97.644","0.001","1140.52","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl4 N6 O2 W2 -","- C46 H48 Cl4 N6 O2 W2 -","- C46 H48 Cl4 N6 O2 W2 -","1","0.5","","Karen Ventura; Jose M. Veleta; Alejandro Metta-Magana; Dino Villagran","Stabilization of a W2 6+ bimetallic complex supported by two N,N',N'-triphenylguanidinate ligands","Inorganica Chimica Acta","2015","424","","286","292","","","","0.71073","MoKα","","0.0353","0.0274","","","0.0765","0.0854","","","","","","0.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518931","21.7652","0.0008","20.7937","0.0008","17.9564","0.0007","90","","95.343","0.002","90","","8091.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H4 Br8 Cl F15 N4 -","- C37.5 H4 Br8 Cl F15 N4 -","- C300 H32 Br64 Cl8 F120 N32 -","8","1","","Capar, Jan; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik","Molecular structures of free-base corroles: nonplanarity, chirality, and enantiomerization.","The journal of physical chemistry. A","2015","119","14","3452","3457","10.1021/jp511188c","","","0.6199","synchrotron","","0.07","0.0452","","","0.1235","0.1416","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518932","32.8171","0.0009","32.8171","0.0009","74.653","0.002","90","","90","","120","","69627","3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H162 Mo60 N22.5 O601.26 Se21.57 W72 -","- C45 Mo60 N22.5 O601.26 Se21.57 W72 -","- C135 Mo180 N67.5 O1803.78 Se64.71 W216 -","3","0.166667","","Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P.","Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8839","8845","10.1039/c5dt00349k","","x-ray","0.71073","MoKα","","0.091","0.0507","","","0.1414","0.1591","","","","","","1.114","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518933","14.344","0.003","10.452","0.002","12.188","0.002","90","","114.49","0.03","90","","1662.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Na O4 -","- C8 H7 Na O4 -","- C64 H56 Na8 O32 -","8","2","","Zhang, Xia; Yin, Qiuxiang; Du, Wei; Gong, Junbo; Bao, Ying; Zhang, Meijing; Hou, Baohong; Hao, Hongxun","Phase Transformation between Anhydrate and Monohydrate of Sodium Dehydroacetate","Industrial & Engineering Chemistry Research","2015","54","13","3438","","10.1021/ie504873p","","","0.71073","MoKα","","0.1854","0.1019","","","0.274","0.3301","","","","","","1.005","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1518934","8.7495","0.0017","9.901","0.002","11.93","0.002","78.31","0.03","73.72","0.03","77.59","0.03","957.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 Na O5 -","- C8 H9 Na O5 -","- C32 H36 Na4 O20 -","4","2","","Zhang, Xia; Yin, Qiuxiang; Du, Wei; Gong, Junbo; Bao, Ying; Zhang, Meijing; Hou, Baohong; Hao, Hongxun","Phase Transformation between Anhydrate and Monohydrate of Sodium Dehydroacetate","Industrial & Engineering Chemistry Research","2015","54","13","3438","","10.1021/ie504873p","","","0.71073","MoKα","","0.0955","0.063","","","0.189","0.2111","","","","","","1.016","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1518935","6.1686","0.0013","16.856","0.004","18.745","0.004","90","","90","","90","","1949.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Sun, Hui-Ying; Wang, Mei; Wu, An-Xin","Convenient Access to Polyfunctional Pyrazoles via a Highly Efficient and Regioselective Multicomponent Reaction","Organic Letters","2015","","","150331121648004","","10.1021/acs.orglett.5b00605","","","0.71073","MoKα","","0.0966","0.0501","","","0.1183","0.1433","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518936","9.8882","0.0006","17.552","0.001","11.4151","0.0008","90","","103.067","0.006","90","","1929.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F N O4 S -","- C18 H24 F N O4 S -","- C72 H96 F4 N4 O16 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.0742","0.0467","","","0.112","0.1239","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518937","6.7205","0.0008","8.781","0.0011","11.3856","0.0016","103.22","0.012","104.242","0.011","92.033","0.01","630.98","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1355","0.0664","","","0.1302","0.1563","","","","","","0.936","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518938","10.0063","0.0009","10.3287","0.0012","10.8385","0.0012","65.843","0.011","70.701","0.009","84.706","0.008","963.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N2 O4 S -","- C19 H28 N2 O4 S -","- C38 H56 N4 O8 S2 -","2","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.064","0.0445","","","0.1068","0.1172","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518939","10.8363","0.0017","14.406","0.002","9.9733","0.0018","90","","117.4","","90","","1382.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 S -","- C15 H18 N2 S -","- C60 H72 N8 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1243","0.0513","","","0.1139","0.1403","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518940","7.3226","0.0003","10.563","0.0006","18.9019","0.0011","90","","92.929","0.004","90","","1460.13","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.0937","0.0502","","","0.1083","0.1238","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518941","8.4818","0.0005","10.9461","0.0008","30.035","0.002","90","","90","","90","","2788.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C112 H152 N8 O24 S8 -","8","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1063","0.0524","","","0.1226","0.1421","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518942","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518943","11.0079","0.0002","6.36439","0.00012","13.7975","0.001","90","","110.712","0.008","90","","904.16","0.08","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki","A convergent total synthesis of ouabagenin","Chem. Sci.","2015","6","6","3383","","10.1039/C5SC00212E","","","1.54187","CuKα","","","0.0313","","","","0.0816","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518944","25.577","0.005","6.6615","0.0013","14.001","0.003","90","","94.62","0.004","90","","2377.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Cl2 O4 Zr -","- C22 H34 Cl2 O4 Zr -","- C88 H136 Cl8 O16 Zr4 -","4","0.5","","Ceballos-Torres, Jesús; Prashar, Sanjiv; Fajardo, Mariano; Chicca, Andrea; Gertsch, Jürg; Pinar, Ana B.; Gómez-Ruiz, Santiago","Ether-Substituted Group 4 Metallocene Complexes: Cytostatic Effects and Applications in Ethylene Polymerization","Organometallics","2015","34","11","2522","","10.1021/om5012209","","","0.71069","MoKα","","0.0683","0.0531","","","0.1307","0.1409","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518945","6.5","0.0002","14.86","0.0005","13.979","0.0005","90","","101.328","0.004","90","","1323.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl O2 Ti -","- C14 H15 Cl O2 Ti -","- C56 H60 Cl4 O8 Ti4 -","4","1","","Ceballos-Torres, Jesús; Prashar, Sanjiv; Fajardo, Mariano; Chicca, Andrea; Gertsch, Jürg; Pinar, Ana B.; Gómez-Ruiz, Santiago","Ether-Substituted Group 4 Metallocene Complexes: Cytostatic Effects and Applications in Ethylene Polymerization","Organometallics","2015","34","11","2522","","10.1021/om5012209","","","0.71073","MoKα","","0.1011","0.0547","","","0.1343","0.1618","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518946","11.5587","0.0013","11.8263","0.0013","17.672","0.002","92.233","0.003","102.972","0.003","108.187","0.002","2220.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F3 N2 O -","- C11 H9 F3 N2 O -","- C88 H72 F24 N16 O8 -","8","4","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","0.71073","MoKα","","0.096","0.056","","","0.1578","0.187","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518947","9.0634","0.0015","5.8062","0.0011","9.8369","0.0015","90","","90.567","0.012","90","","517.63","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C20 H18 F6 N4 O2 -","2","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0684","0.0436","","","0.1306","0.1464","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518948","5.7467","0.0001","9.4574","0.0001","27.5934","0.0004","90","","90","","90","","1499.67","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0445","0.0426","","","0.1187","0.1214","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518949","23.6399","0.0019","5.207","0.0003","15.042","0.001","90","","107.545","0.005","90","","1765.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 S2 -","- C46 H46 N2 S2 -","- C92 H92 N4 S4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0986","0.0661","","","0.1554","0.1749","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518950","43.2109","0.0016","43.2109","0.0016","5.0578","0.0002","90","","90","","120","","8178.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H42 N2 S4 -","- C42 H42 N2 S4 -","- C378 H378 N18 S36 -","9","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.0707","0.0583","","","0.1502","0.156","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518951","15.3148","0.0009","5.2027","0.0003","21.5181","0.0012","90","","93.605","0.004","90","","1711.13","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N2 O2 -","- C46 H46 N2 O2 -","- C92 H92 N4 O4 -","2","0.5","","He, Bo; Dai, Jing; Zherebetskyy, Danylo; Chen, Teresa L.; Zhang, Benjamin A.; Teat, Simon J.; Zhang, Qichun; Wang, Linwang; Liu, Yi","A divergent route to core- and peripherally functionalized diazacoronenes that act as colorimetric and fluorescence proton sensors","Chem. Sci.","2015","6","5","3180","","10.1039/C5SC00304K","","","0.7749","synchrotron","","0.1069","0.0748","","","0.213","0.2409","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518952","12.536","0.002","12.3769","0.0018","13.069","0.003","90","","115.499","0.007","90","","1830.2","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7a","","","- C34 H36 Cl2 Mo2 N6 O4 -","- C34 H36 Cl2 Mo2 N6 O4 -","- C68 H72 Cl4 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.1061","0.0918","","","0.2248","0.2441","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518953","12.6064","0.0014","14.1061","0.0014","19.183","0.002","90","","101.372","0.006","90","","3344.3","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9a","","","- C62 H102 Cl4 Mo2 N6 O4 -","- C62 H102 Cl4 Mo2 N6 O4 -","- C124 H204 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0877","0.0783","","","0.1652","0.1724","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518954","12.142","0.004","13.615","0.004","17.274","0.006","78.896","0.009","84.467","0.011","69.112","0.008","2616.8","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","10a","","","- C48 H69 Cl4 Mo2 N6 O4 -","- C48 H69 Cl4 Mo2 N6 O4 -","- C96 H138 Cl8 Mo4 N12 O8 -","2","1","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0971","0.0819","","","0.2007","0.225","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518955","11.752","0.005","15.014","0.007","11.14","0.005","90","","109.276","0.003","90","","1855.4","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","11a","","","- C34 H36 Cl4 Mo2 N6 O4 -","- C34 H36 Cl4 Mo2 N6 O4 -","- C68 H72 Cl8 Mo4 N12 O8 -","2","0.5","","Tsurugi, Hayato; Hayakawa, Akio; Kando, Shun; Sugino, Yoshitaka; Mashima, Kazushi","Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes","Chem. Sci.","2015","6","6","3434","","10.1039/C5SC00721F","","","0.71075","MoKα","","0.0619","0.0571","","","0.1151","0.1184","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518956","25.4376","0.0001","25.4376","0.0001","25.4376","0.0001","90","","90","","90","","16459.9","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0596","0.0563","","","0.1595","0.1637","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518957","25.4213","0.0002","25.4213","0.0002","25.4213","0.0002","90","","90","","90","","16428.3","0.2","293","0.1","293","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","- C216 H120 Cu3 N12 O32 Zr6 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0776","0.0633","","","0.1814","0.1913","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518958","25.3976","0.0001","25.3976","0.0001","25.3976","0.0001","90","","90","","90","","16382.4","0.11","293","0.1","293","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H130 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","- C216 H120 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.033","0.0306","","","0.1019","0.1032","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518959","25.357","0.0001","25.357","0.0001","25.357","0.0001","90","","90","","90","","16304","0.11","293.01","0.1","293.01","0.1","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H124 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","- C216 H120 Cu3 Hf6 N12 O32 -","1","0.0208333","","Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun","Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses","Chem. Sci.","2015","6","6","3466","","10.1039/C5SC00213C","","","1.54184","CuKα","","0.0422","0.0397","","","0.1188","0.1203","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518960","9.8293","0.0004","10.383","0.0006","24.9908","0.0013","84.684","0.004","81.333","0.004","71.773","0.004","2392.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid and 4,4'-Bipyridine complex","2-{[3-(Trifluoromethyl)phenyl]amino}benzoic acid and4,4'bipyridine complex","","- C57 H42 F9 N6 O6 -","- C57 H42 F9 N6 O6 -","- C114 H84 F18 N12 O12 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.1378","0.0692","","","0.1617","0.2055","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518961","7.3086","0.0003","8.6692","0.0004","13.632","0.0005","106.135","0.004","99.428","0.004","98.758","0.004","800.46","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","mefenamic acid and 4,4'-Bipyridine complex","2-(2,3-dimethylphenyl)aminobenzoic acid and 4,4'bipyridine complex","","- C20 H19 N2 O2 -","- C20 H19 N2 O2 -","- C40 H38 N4 O4 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0769","0.0485","","","0.1008","0.1137","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518962","4.7081","0.0002","45.2195","0.0014","7.9188","0.0003","90","","106.896","0.005","90","","1613.12","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolfenamic acid and 4,4'-Bipyridine complex","2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex","","- C19 H16 Cl N2 O2 -","- C19 H16 Cl N2 O2 -","- C76 H64 Cl4 N8 O8 -","4","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0758","0.052","","","0.0971","0.1053","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518963","51.8116","0.0007","15.1574","0.0002","25.2431","0.0003","90","","91.59","0.001","90","","19816.5","0.4","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ru(tbp)tpphz","","","- C96 H108 F12 N18 P2 Ru -","- C82 H87 F12 N11 P2 Ru -","- C656 H696 F96 N88 P16 Ru8 -","8","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0675","0.0495","","","0.1341","0.1472","","","","","","0.78","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518964","45.6046","0.0009","22.1737","0.0004","21.548","0.0006","90","","116.956","0.003","90","","19422.5","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Rutpphz(tbp)2","","","- C85.5 H95 Cl11 F12 N10 P2 Ru -","- C82 H88 Cl4 F12 N10 P2 Ru -","- C656 H704 Cl32 F96 N80 P16 Ru8 -","8","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","0.71073","MoKα","","0.0793","0.0531","","","0.1383","0.151","","","","","","0.985","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518965","16.2831","0.0012","9.462","0.0005","17.5232","0.0011","90","","115.158","0.008","90","","2443.7","0.3","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C128 H128 N8 -","4","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.098","0.067","","","0.187","0.2194","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518966","10.9557","0.0007","11.8569","0.0007","14.1102","0.0009","104.299","0.005","109.647","0.006","95.094","0.005","1642.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H37 Cl3 N2 O2 -","- C36 H37 Cl3 N2 O2 -","- C72 H74 Cl6 N4 O4 -","2","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54184","CuKα","","0.0588","0.0561","","","0.145","0.1474","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518967","6.9502","0.0007","10.2517","0.0009","10.6485","0.0009","82.56","0.007","78.404","0.008","75.662","0.008","717.54","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br2 N2 O2 -","- C15 H10 Br2 N2 O2 -","- C30 H20 Br4 N4 O4 -","2","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","0.71073","MoKα","","0.0474","0.0394","","","0.108","0.1148","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518968","6.3897","0.0004","10.1543","0.0007","19.0511","0.0013","97.594","0.006","91.675","0.005","92.92","0.006","1222.85","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C64 H60 N4 O4 -","2","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0653","0.0467","","","0.1165","0.1285","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518969","7.6741","0.0004","15.701","0.0006","19.5176","0.0008","73.8","0.004","88.093","0.004","86.939","0.004","2254.68","0.18","180","2","180","2","","","","","","","","4","P -1","-P 1","2","(tbp)tpphz","","","- C47 H42 Cl6 N6 -","- C46 H40 Cl4 N6 -","- C92 H80 Cl8 N12 -","2","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0945","0.073","","","0.2191","0.2337","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518970","19.8215","0.0008","44.837","0.0012","19.874","0.0005","90","","106.727","0.003","90","","16915.4","1","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","Ru(tbp)2tpphzRu","","","- C143.5 H198 F24 N14 O5.5 P4 Ru2 -","- C116 H132 F24 N14 P4 Ru2 -","- C464 H528 F96 N56 P16 Ru8 -","4","0.5","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0926","0.0658","","","0.1932","0.2178","","","","","","1.062","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518971","15.7991","0.0004","16.8342","0.0004","16.8521","0.0005","104.461","0.002","116.67","0.003","92.68","0.002","3812.4","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","Ru(tbp)2phen","","","- C75 H90.5 F12 N9.5 P2 Ru -","- C75 H90.5 F12 N9.5 P2 Ru -","- C150 H181 F24 N19 P4 Ru2 -","2","1","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0499","0.043","","","0.1126","0.12","","","","","","1.039","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518972","32.6712","0.0005","32.6712","0.0005","76.823","0.002","90","","90","","90","","82001","3","100","2","100","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C252 H312 Ag37 F18 O24 S28 -","- C252 H312 Ag37 F18 O24 S28 -","- C2016 H2496 Ag296 F144 O192 S224 -","8","","","Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun","A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster.","Nanoscale","2015","7","18","8284","8288","10.1039/c5nr01222h","","","1.54178","CuKα","","0.2085","0.138","","","0.3547","0.4122","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518973","10.1027","0.0002","15.2966","0.0004","17.1975","0.0004","90","","94.985","0.002","90","","2647.6","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 F2 Mo2 O10 -","- C54 H70 F2 Mo2 O10 -","- C108 H140 F4 Mo4 O20 -","2","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0525","0.0365","","","0.0885","0.0998","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518974","10.5454","0.0003","28.454","0.0009","10.065","0.0003","90","","115.025","0.001","90","","2736.58","0.14","152","2","152","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 Cl2 Mo2 O10 -","- C54 H70 Cl2 Mo2 O10 -","- C108 H140 Cl4 Mo4 O20 -","2","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0712","0.0441","","","0.1091","0.1265","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518975","10.0697","0.0002","10.5101","0.0002","14.8323","0.0002","73.389","0.001","80.287","0.001","64.104","0.001","1351.45","0.04","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H70 Br2 Mo2 O10 -","- C54 H70 Br2 Mo2 O10 -","- C54 H70 Br2 Mo2 O10 -","1","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0617","0.0376","","","0.09","0.119","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518976","10.0917","0.0003","10.463","0.0002","14.7965","0.0004","76.668","0.002","86.366","0.001","65.537","0.002","1382.87","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H70 I2 Mo2 O10 -","- C54 H70 I2 Mo2 O10 -","- C54 H70 I2 Mo2 O10 -","1","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0635","0.0381","","","0.0941","0.1277","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518977","9.4977","0.0001","18.0339","0.0004","11.0316","0.0002","90","","110.952","0.001","90","","1764.57","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[Mo2(O2C-Ph-p-F)4],2THF","","","- C36 H32 F4 Mo2 O10 -","- C36 H32 F4 Mo2 O10 -","- C72 H64 F8 Mo4 O20 -","2","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0443","0.0327","","","0.0874","0.1009","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518978","6.7473","0.0001","11.6194","0.0002","12.1291","0.0003","95.576","0.001","99.128","0.001","100.377","0.001","915.74","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Mo2(O2C-Ph-p-Cl)4],2(THF)","","","- C36 H32 Cl4 Mo2 O10 -","- C36 H32 Cl4 Mo2 O10 -","- C36 H32 Cl4 Mo2 O10 -","1","0.5","","Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker; Philip J. Young","Molecular ordering by halide-halide interactions in dimolybdenum p-halobenzoates","Inorganica Chimica Acta","2015","424","","300","307","","","x-ray","0.71073","MoKα","","0.0367","0.0274","","","0.0729","0.096","","","","","","1.276","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518979","7.1994","0.0006","14.5851","0.0013","7.1586","0.0006","90","","110.954","0.001","90","","701.97","0.1","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H12 I O8 Tc2 -","- C8 H12 I O8 Tc2 -","- C16 H24 I2 O16 Tc4 -","2","0.25","","William M. Kerlin; Frederic Poineau; Paul M. Forster; Kenneth R. Czerwinski; Alfred P. Sattelberger","Hydrothermal synthesis and solid-state structures of polynuclear technetium iodide compounds","Inorganica Chimica Acta","2015","424","","329","335","","","","0.71073","MoKα","","0.0178","0.0167","","","0.0419","0.0425","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518980","8.0018","0.0005","14.5125","0.001","13.1948","0.0009","90","","102.309","0.001","90","","1497.04","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I13 K Tc8 -","- I13 K Tc8 -","- I26 K2 Tc16 -","2","0.5","","William M. Kerlin; Frederic Poineau; Paul M. Forster; Kenneth R. Czerwinski; Alfred P. Sattelberger","Hydrothermal synthesis and solid-state structures of polynuclear technetium iodide compounds","Inorganica Chimica Acta","2015","424","","329","335","","","","0.71073","MoKα","","0.0353","0.0277","","","0.0564","0.0588","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518981","21.646","0.0014","21.646","0.0014","37.995","0.003","90","","90","","120","","15417.4","1.9","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","[PNONPCrCl]2","","","- C52 H80 Cl2 Cr2 N4 O2 P4 -","- C52 H80 Cl2 Cr2 N4 O2 P4 -","- C468 H720 Cl18 Cr18 N36 O18 P36 -","9","0.5","","Reed J. Eisenhart; Rebecca K. Carlson; Kelsey M. Boyle; Laura Gagliardi; Connie C. Lu","Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel","Inorganica Chimica Acta","2015","424","","336","344","","","","0.71073","MoKα","","0.065","0.0499","","","0.1543","0.1647","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518982","21.9852","0.0014","10.9414","0.0007","22.4321","0.0015","90","","109.949","0.001","90","","5072.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H80 Cr2 N4 O2 P4 -","- C52 H80 Cr2 N4 O2 P4 -","- C208 H320 Cr8 N16 O8 P16 -","4","0.5","","Reed J. Eisenhart; Rebecca K. Carlson; Kelsey M. Boyle; Laura Gagliardi; Connie C. Lu","Synthesis and redox reactivity of a phosphine-ligated dichromium paddlewheel","Inorganica Chimica Acta","2015","424","","336","344","","","","0.71073","MoKα","","0.0279","0.0258","","","0.0673","0.0688","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518983","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518984","9.6681","0.0002","17.2389","0.0004","20.8625","0.0005","90","","90.222","0.002","90","","3477.07","0.14","173.1","0.5","173.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Cl3 -","- C45 H31 Cl3 -","- C180 H124 Cl12 -","4","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0876","0.0779","","","0.1766","0.1815","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518985","28.4","0.0007","12.0889","0.0002","20.7374","0.0006","90","","110.271","0.003","90","","6678.7","0.3","173","0.3","173","0.3","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 -","- C48 H32 -","- C384 H256 -","8","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0409","0.0383","","","0.0946","0.0966","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518986","9.2686","0.0002","7.5344","0.0001","22.0069","0.0005","90","","91.349","0.002","90","","1536.39","0.05","173","0.14","173","0.14","","","","","","","","2","P 1 21 1","P 2yb","4","","BDPM-DHT","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","He, Zikai; Shan, Liang; Mei, Ju; Wang, Hong; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Gu, Xiao; Miao, Qian; Tang, Ben Zhong","Aggregation-induced emission and aggregation-promoted photochromism of bis(diphenylmethylene)dihydroacenes","Chem. Sci.","2015","6","6","3538","","10.1039/C5SC00900F","","x-ray","1.5418","CuKα","","0.0578","0.0557","","","0.1504","0.1517","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518987","14.1659","0.0008","25.5435","0.0014","20.2558","0.0015","90","","95.695","0.007","90","","7293.3","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(IPr*)(PCy3)","(N,N'-bis(2,6‒bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)(tricyclohexylphosphine) palladium","","- C93 H95 N2 P Pd -","- C93 H95 N2 P Pd -","- C372 H380 N8 P4 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.0578","","","","0.1459","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518988","12.889","0.003","27.082","0.007","14.073","0.004","90","","92.483","0.004","90","","4908","2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pd(SIPr)2","Bis(N,N'-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene)palladium","","- C54 H76 N4 Pd -","- C54 H76 N4 Pd -","- C216 H304 N16 Pd4 -","4","1","","Henwood, Adam F.; Lesieur, Mathieu; Bansal, Ashu K.; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cazin, Catherine S. J.; Zysman-Colman, Eli","Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence","Chem. Sci.","2015","6","5","3248","","10.1039/C4SC03914A","","","0.71075","MoKα","","","0.102","","","","0.236","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518989","12.7382","0.0007","11.0562","0.0007","12.4976","0.0008","90","","112.701","0.002","90","","1623.76","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl2 N2 -","- C19 H12 Cl2 N2 -","- C76 H48 Cl8 N8 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","Ruthenium-catalyzed heteroatom-directed regioselective C-h arylation of indoles using a removable tether.","Organic letters","2015","17","7","1766","1769","10.1021/acs.orglett.5b00535","","","0.71073","MoKα","","0.0945","0.0472","","","0.1075","0.1293","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518990","14.4427","0.0008","6.5207","0.0004","16.6673","0.0008","90","","90","","90","","1569.67","0.15","291","2","291.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 O P Si -","- C17 H17 O P Si -","- C68 H68 O4 P4 Si4 -","4","1","","Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François","Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings.","Organic letters","2015","17","7","1732","1734","10.1021/acs.orglett.5b00598","","","1.54184","CuKα","","0.044","0.0388","","","0.0996","0.1053","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518991","12.402","0.003","5.782","0.0011","24.377","0.005","90","","100.253","0.003","90","","1720.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O2 S -","- C21 H17 F O2 S -","- C84 H68 F4 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0804","0.048","","","0.1125","0.1302","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518992","5.7471","0.0008","8.0541","0.0011","31.351","0.004","90","","90","","90","","1451.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0772","0.0517","","","0.1038","0.1162","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518993","12.3084","0.0018","5.8277","0.0009","24.345","0.004","90","","100.373","0.002","90","","1717.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0562","0.0429","","","0.1155","0.1336","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518994","25.7457","0.001","5.8011","0.0002","19.0494","0.0007","90","","98.23","0.003","90","","2815.79","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C112 H136 N8 O24 S8 -","8","1","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Palladium-catalyzed cycloisomerization and aerobic oxidative cycloisomerization of homoallenyl amides: a facile and divergent approach to 2-aminofurans.","Organic letters","2015","17","6","1581","1584","10.1021/acs.orglett.5b00464","","","0.71073","MoKα","","0.0672","0.0538","","","0.1309","0.1393","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518995","16.428","0.006","13.329","0.005","14.387","0.005","90","","90","","90","","3150","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C120 H168 N8 O32 S8 -","8","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant.","Organic letters","2015","17","6","1485","1488","10.1021/acs.orglett.5b00373","","","0.71073","MoKα","","0.0951","0.0525","","","0.1259","0.1452","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518996","9.8991","0.0011","10.1513","0.0011","17.5003","0.0019","90","","90","","90","","1758.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Yetra, Santhivardhana Reddy; Mondal, Santigopal; Suresh, Eringathodi; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized Pyrazoles by NHC-Catalyzed Reaction of Pyrazolones with α,β-Unsaturated Aldehydes.","Organic letters","2015","17","6","1417","1420","10.1021/acs.orglett.5b00293","","","0.71073","MoKα","","0.0683","0.0612","","","0.1235","0.1261","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518997","14.5121","0.0011","5.9558","0.0003","24.1332","0.0017","90","","90","","90","","2085.9","0.2","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","2","","Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei","Bioinspired Organocatalytic Aerobic C-H Oxidation of Amines with an ortho-Quinone Catalyst.","Organic letters","2015","17","6","1469","1472","10.1021/acs.orglett.5b00351","","","0.71073","MoKα","","0.0477","0.0439","","","0.1068","0.1097","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518998","8.477","0.0004","8.5847","0.0005","17.547","0.0005","90","","90","","90","","1276.94","0.1","294.39","0.1","294.39","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Jiang, Liyin; Jia, Tao; Wang, Min; Liao, Jian; Cao, Peng","Pd-catalyzed enantioselective hydroalkoxylation of alkoxyallenes with phenol for construction of acyclic o,o-acetals.","Organic letters","2015","17","5","1070","1073","10.1021/acs.orglett.5b00146","","","1.54184","CuKα","","0.0469","0.044","","","0.1064","0.1086","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518999","9.2698","0.0004","11.0134","0.0005","15.0573","0.0007","90","","105.111","0.002","90","","1484.08","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O3 S -","- C17 H13 F O3 S -","- C68 H52 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Bi(OTf)3-Mediated Cycloisomerization of γ-Alkynyl Arylketones: Application to the Synthesis of Substituted Furans.","Organic letters","2015","17","5","1264","1267","10.1021/acs.orglett.5b00246","","","0.71073","MoKα","","0.0426","0.0345","","","0.1035","0.1286","","","","","","1.245","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519000","12.8361","0.0014","15.5717","0.0018","15.9281","0.0017","100.921","0.004","109.976","0.004","108.18","0.004","2682","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0789","0.0506","","","0.1087","0.1184","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519001","12.85","0.0012","15.5881","0.0015","15.9283","0.0015","100.951","0.005","110.033","0.005","108.118","0.005","2687.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","- C136 H142 N4 Ni O2 -","1","0.5","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","1.54178","CuKα","","0.1098","0.0771","","","0.2016","0.236","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519002","15.0498","0.0012","15.6708","0.0013","17.4668","0.0015","111.901","0.003","107.076","0.003","102.416","0.003","3400.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.5 H87 N5 Ni -","- C85.5 H87 N5 Ni -","- C171 H174 N10 Ni2 -","2","1","","Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan","Phenalenyl-fused porphyrins with different ground states","Chem. Sci.","2015","6","4","2427","","10.1039/C4SC03866E","","","0.71073","MoKα","","0.0545","0.0423","","","0.1027","0.1095","","","","","","0.999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519003","10.5177","0.0004","11.8367","0.0004","19.8797","0.0007","79.654","0.003","85.269","0.003","85.892","0.003","2422.31","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Ga N2 O -","- C56 H60 Ga N2 O -","- C112 H120 Ga2 N4 O2 -","2","1","","Fedushkin, Igor L.; Kazarina, Olga V.; Lukoyanov, Anton N.; Skatova, Alexandra A.; Bazyakina, Natalia L.; Cherkasov, Anton V.; Palamidis, Eftimios","Mononuclear dpp-Bian Gallium Complexes: Synthesis, Crystal Structures, and Reactivity toward Alkynes and Enones","Organometallics","2015","34","8","1498","","10.1021/acs.organomet.5b00001","","","0.71073","MoKα","","0.0997","0.0598","","","0.0791","0.0886","","","","","","0.992","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519004","6.215","0.0012","12.921","0.003","20.161","0.004","90","","90","","90","","1619","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Qin, Qixue; Yu, Shouyun","Visible-Light-Promoted Remote C(sp3)‒H Amidation and Chlorination","Organic Letters","2015","","","150408101742008","","10.1021/acs.orglett.5b00582","","","0.71073","MoKα","","0.119","0.0626","","","0.1329","0.1575","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519361","12.8779","0.0009","19.9196","0.0014","24.2784","0.0019","90","","103.146","0.007","90","","6064.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","complex 1","","- C64 H88 N2 O5 Sc -","- C64 H88 N2 O5 Sc -","- C256 H352 N8 O20 Sc4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1107","0.0696","","","0.1795","0.2074","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519362","13.106","0.0003","19.8031","0.0004","24.2374","0.0005","90","","103.093","0.0018","90","","6127","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex 2","","- C64.5 H85 N2 O5 Yb -","- C64.5 H85 N2 O5 Yb -","- C258 H340 N8 O20 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0497","0.0364","","","0.0884","0.095","","","","","","1.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519363","10.8744","0.0003","29.9882","0.0013","21.5416","0.0008","90","","99.001","0.003","90","","6938.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 3","","- C73 H105 N2 O8 Y -","- C73 H105 N2 O8 Y -","- C292 H420 N8 O32 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.1143","0.0658","","","0.1671","0.1922","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519364","10.8719","0.0004","30.0322","0.0013","21.6152","0.0008","90","","99.151","0.004","90","","6967.7","0.5","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 5","","- C73 H105 N2 Nd O8 -","- C73 H89 N2 Nd O8 -","- C292 H356 N8 Nd4 O32 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0598","0.0418","","","0.1071","0.1157","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519365","17.715","0.01","14.656","0.008","20.41","0.02","90","","98.17","0.02","90","","5245","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 6","","- C52 H76 N3 O4 Si2 Yb -","- C52 H76 N3 O4 Si2 Yb -","- C208 H304 N12 O16 Si8 Yb4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71075","MoKα","","0.0745","0.0595","","","0.1298","0.1364","","","","","","1.193","","","","has coordinates","138464","2020-10-21","18:00:00",""
"1519366","17.6572","0.0006","14.6349","0.0005","20.3043","0.0007","90","","98.333","0.003","90","","5191.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","complex 7","","- C52 H76 N3 O4 Si2 Y -","- C52 H76 N3 O4 Si2 Y -","- C208 H304 N12 O16 Si8 Y4 -","4","1","","Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide","Catal. Sci. Technol.","2015","5","6","3302","","10.1039/C5CY00322A","","","0.71073","MoKα","","0.0815","0.046","","","0.0783","0.0878","","","","","","0.976","","","","has coordinates","138464","2020-10-21","18:00:00",""
"1519367","12.2849","0.0004","16.0628","0.0003","14.7939","0.0004","90","","113.273","0.003","90","","2681.74","0.14","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]perchlorate","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C80 H80 Cl8 I8 N16 O32 -","8","2","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0384","0.0278","","","0.079","0.0872","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519368","13.6827","0.0006","6.7491","0.0003","8.4045","0.0003","90","","106.045","0.004","90","","745.89","0.06","170","0.1","170","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[bis(pyridine)iodine]hexafluorophosphate","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0172","0.0172","","","0.0427","0.0427","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519369","6.9674","0.0004","7.1797","0.0003","7.7358","0.0004","91.775","0.004","101.402","0.005","96.682","0.004","376.18","0.03","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","[bis(pyridine)iodine]hexafluoroantimonate","","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","- C10 H10 F6 I N2 Sb -","1","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0268","0.0218","","","0.0562","0.0638","","","","","","1.093","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519370","7.0091","0.0004","10.6722","0.0006","10.7542","0.0008","93.455","0.005","105.677","0.006","104.138","0.005","744.16","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)iodine]triflate","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","1.54184","CuKα","","0.0526","0.0502","","","0.1616","0.1635","","","","","","1.144","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519371","9.0892","0.0004","21.1577","0.0013","10.0924","0.0005","90","","115.781","0.006","90","","1747.65","0.18","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)iodine]tosylate","","- C17 H17 I N2 O3 S -","- C17 H17 I N2 O3 S -","- C68 H68 I4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.036","0.0297","","","0.0565","0.0588","","","","","","1.084","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519372","7.0864","0.0003","7.4613","0.0003","13.5366","0.0006","99.491","0.004","94.725","0.004","117.637","0.004","614.97","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)iodine]nitrate","","- C10 H10 I N3 O3 -","- C10 H10 I N3 O3 -","- C20 H20 I2 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0527","0.0332","","","0.0956","0.1043","","","","","","1","","","","has coordinates,has disorder","143323","2020-10-21","18:00:00",""
"1519373","7.2894","0.0002","13.3581","0.0003","16.9874","0.0005","90","","101.989","0.003","90","","1618.03","0.08","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]tetrafluoroborate","","- C12 H14 Ag B Cl2 F4 N2 -","- C12 H14 Ag B Cl2 F4 N2 -","- C48 H56 Ag4 B4 Cl8 F16 N8 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0363","0.0308","","","0.0795","0.0834","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519374","7.2442","0.0002","13.3604","0.0003","16.9657","0.0004","90","","101.394","0.003","90","","1609.67","0.07","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(pyridine)silver]perchlorate","","- C12 H14 Ag Cl3 N2 O4 -","- C12 H14 Ag Cl3 N2 O4 -","- C48 H56 Ag4 Cl12 N8 O16 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0339","0.0294","","","0.0737","0.0765","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519375","9.968","0.002","10.512","0.002","10.679","0.002","111.37","0.03","116.82","0.03","97.43","0.03","869.9","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","[bis(pyridine)silver]hexafluorophosphate","","- C12 H14 Ag Cl2 F6 N2 P -","- C12 H14 Ag Cl2 F6 N2 P -","- C24 H28 Ag2 Cl4 F12 N4 P2 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0818","0.0535","","","0.0915","0.1009","","","","","","1.05","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519376","12.6882","0.0003","13.8467","0.0003","11.1581","0.0003","90","","112.12","0.003","90","","1816.08","0.09","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]hexafluoroantimonate","","- C12 H14 Ag Cl2 F6 N2 Sb -","- C12 H14 Ag Cl2 F6 N2 Sb -","- C48 H56 Ag4 Cl8 F24 N8 Sb4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0234","0.0203","","","0.0424","0.0445","","","","","","1.046","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519377","7.952","0.0004","17.294","0.0006","10.7947","0.0006","90","","95.624","0.002","90","","1477.36","0.12","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]triflate","","- C11 H10 Ag F3 N2 O3 S -","- C11 H10 Ag F3 N2 O3 S -","- C44 H40 Ag4 F12 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.097","0.0508","","","0.098","0.1141","","","","","","1.021","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519378","9.8088","0.0002","15.4242","0.0003","11.5973","0.0003","90","","100.033","0.002","90","","1727.76","0.07","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(pyridine)silver]tosylate","","- C17 H17 Ag N2 O3 S -","- C17 H17 Ag N2 O3 S -","- C68 H68 Ag4 N8 O12 S4 -","4","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0243","0.0214","","","0.0488","0.0504","","","","","","1.048","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519379","7.4958","0.0003","10.0405","0.0005","12.7988","0.0006","82.991","0.004","83.259","0.004","76.743","0.004","926.59","0.08","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","[bis(pyridine)silver]nitrate","","- C15 H15 Ag2 N5 O6 -","- C15 H15 Ag2 N5 O6 -","- C30 H30 Ag4 N10 O12 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0334","0.028","","","0.0607","0.0657","","","","","","1.023","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519380","5.7265","0.0002","14.7681","0.0006","14.6482","0.0006","90","","96.59","0.004","90","","1230.61","0.08","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[bis(pyridine)silver]nitrate","","- C10 H12 Ag N3 O4 -","- C10 H12 Ag N3 O4 -","- C40 H48 Ag4 N12 O16 -","4","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0195","0.0179","","","0.0404","0.0415","","","","","","1.097","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1519381","7.2198","0.0003","13.3083","0.0005","14.6862","0.0005","116.693","0.004","90.96","0.003","90.319","0.003","1260.4","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","[(1,2-bis(pyridin-2-ylethynyl)benzene)silver]nitrate","","- C22.5 H17 Ag Cl5 N3 O3 -","- C22.5 H17 Ag Cl5 N3 O3 -","- C45 H34 Ag2 Cl10 N6 O6 -","2","1","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1067","0.1081","","","","","","1.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519382","17.809","0.002","18.594","0.002","22.412","0.003","73.894","0.004","83.175","0.004","71.769","0.003","6768.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H79 B Cl N6 O13 S6 -","- C57.125 H71.485 B Cl0.25 N6 O13 S6 -","- C228.5 H285.94 B4 Cl N24 O52 S24 -","4","2","","Rudolf, Marc; Trukhina, Olga; Perles, Josefina; Feng, Lai; Akasaka, Takeshi; Torres, Tomas; Guldi, Dirk M.","Taming C60fullerene: tuning intramolecular photoinduced electron transfer process with subphthalocyanines","Chem. Sci.","2015","6","7","4141","","10.1039/C5SC00223K","","","0.71073","MoKα","","0.1661","0.108","","","0.2951","0.3655","","","","","","1.315","","","","has coordinates,has disorder","143325","2020-10-21","18:00:00",""
"1519383","14.749","0.003","15.266","0.003","18.081","0.004","72.467","0.005","83.794","0.004","81.014","0.004","3826.2","1.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Fe2 Mo2 N12 P4 -","- C72 H102 Fe2 Mo2 N12 P4 -","- C144 H204 Fe4 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0452","","","","0.0934","","","","","","1.013","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519384","14.7212","0.0003","15.3604","0.0003","18.0121","0.0004","72.7582","0.0007","84.4816","0.0007","81.1096","0.0007","3837.72","0.14","198","","198","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 Mo2 N12 P4 Ru2 -","- C72 H102 Mo2 N12 P4 Ru2 -","- C144 H204 Mo4 N24 P8 Ru4 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0424","","","","0.0746","","","","","","1.007","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519385","21.9221","0.001","15.852","0.0007","14.007","0.0006","90","","121.631","0.0009","90","","4144.4","0.3","173","","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H65 Cl3 Fe Mo N P2 -","- C39 H51 Cl3 Fe Mo N P2 -","- C156 H204 Cl12 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.065","","","","0.1225","","","","","","1.038","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519386","13.2456","0.0006","15.6143","0.0006","24.2272","0.0012","90.538","0.0013","102.695","0.0014","112.964","0.001","4475.5","0.3","198","","198","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H64 Cl5 Fe Mo N P2 -","- C39 H64 Cl5 Fe Mo N P2 -","- C156 H256 Cl20 Fe4 Mo4 N4 P8 -","4","2","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0927","","","","0.1751","","","","","","0.981","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519387","18.9384","0.0012","19.521","0.0011","13.7984","0.0008","90","","120.86","0.0011","90","","4379","0.5","198","","198","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl5 Fe Mo N P2 -","- C40 H57 Cl5 Fe Mo N P2 -","- C160 H228 Cl20 Fe4 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Nitrogen fixation catalyzed by ferrocene-substituted dinitrogen-bridged dimolybdenum‒dinitrogen complexes: unique behavior of ferrocene moiety as redox active site","Chem. Sci.","2015","6","7","3940","","10.1039/C5SC00545K","","","0.71075","MoKα","","","0.0503","","","","0.0968","","","","","","1.012","","","","has coordinates","143327","2020-10-21","18:00:00",""
"1519388","11.295","0.005","12.39","0.004","16.088","0.003","90","","90","","90","","2251.4","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N5 O2 -","- C27 H25 N5 O2 -","- C108 H100 N20 O8 -","4","1","","Li, Qi; Xia, Tingting; Yao, Licheng; Deng, Haiteng; Liao, Xuebin","Enantioselective and diastereoselective azo-coupling/iminium-cyclizations: a unified strategy for the total syntheses of (−)-psychotriasine and (+)-pestalazine B","Chem. Sci.","2015","6","6","3599","","10.1039/C5SC00338E","","","0.71073","MoKα","","0.0602","0.0412","","","0.0739","0.0849","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519389","10.8676","0.0015","12.3446","0.0016","19.476","0.003","75.286","0.007","86.422","0.006","86.274","0.008","2518.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H70 N2 O4 -","- C60 H70 N2 O4 -","- C120 H140 N4 O8 -","2","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1476","0.0546","","","0.1071","0.1456","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519390","12.309","0.0019","37.444","0.007","10.6821","0.0017","90","","91.78","0.008","90","","4921","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 N2 O6 -","- C55 H72 N2 O6 -","- C220 H288 N8 O24 -","4","1","","Yatham, Veera Reddy; Neudörfl, Jörg-M.; Schlörer, Nils E.; Berkessel, Albrecht","Carbene catalyzed umpolung of α,β-enals: a reactivity study of diamino dienols vs. azolium enolates, and the characterization of advanced reaction intermediates","Chem. Sci.","2015","6","7","3706","","10.1039/C5SC01027F","","","0.71073","MoKα","","0.1409","0.0678","","","0.1658","0.1922","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519391","18.4298","0.0012","18.4298","0.0012","16.84","0.0011","90","","90","","120","","4953.5","0.6","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 Th -","- C18 H54 Cl N3 Si6 Th -","- C108 H324 Cl6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0213","0.0176","","","0.0417","0.0437","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519392","18.404","0.004","18.404","0.004","29.626","0.007","90","","90","","120","","8690","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H82 Cl2 N3 Na O4.5 Si6 Th -","- C36 H90 Cl2 N3 Na O4.5 Si6 Th -","- C216 H540 Cl12 N18 Na6 O27 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0745","0.0503","","","0.1166","0.1272","","","","","","1","","","","has coordinates","189369","2020-10-21","18:00:00",""
"1519393","18.328","0.005","18.328","0.005","17.356","0.005","90","","90","","120","","5049","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 I N3 Si6 Th -","- C18 H54 I N3 Si6 Th -","- C108 H324 I6 N18 Si36 Th6 -","6","0.333333","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0458","0.0295","","","0.0681","0.0772","","","","","","0.891","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519394","12.955","0.002","13.0253","0.0019","16.867","0.002","85.654","0.003","77.178","0.003","79.336","0.003","2725.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H73 N2 O2 Si4 Th -","- C53 H73 N2 O2 Si4 Th -","- C106 H146 N4 O4 Si8 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0452","0.031","","","0.0612","0.0653","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519395","10.5938","0.001","11.5867","0.0011","19.595","0.0019","96.883","0.002","91.006","0.002","96.27","0.002","2372.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H69 N3 S Si6 Th -","- C37 H69 N3 S Si6 Th -","- C74 H138 N6 S2 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0518","0.035","","","0.0702","0.075","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519396","20.457","0.003","20.307","0.003","25.358","0.003","90","","90","","90","","10534","3","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H83 K N3 O7.5 Si6 Th -","- C32 H78 K N3 O7.5 Si6 Th -","- C256 H624 K8 N24 O60 Si48 Th8 -","8","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.1507","0.1001","","","0.1885","0.2046","","","","","","1.207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519397","12.7484","0.0016","18.891","0.002","21.817","0.003","91.554","0.002","105.863","0.002","92.564","0.002","5044.8","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 Th -","- C30 H78 K N3 O6 S Si6 Th -","- C120 H312 K4 N12 O24 S4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.0617","0.0387","","","0.1126","0.1275","","","","","","0.87","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519398","8.5417","0.0005","8.0442","0.0005","7.4465","0.0004","90","","99.017","0.005","90","","505.33","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F4 O6 -","- C4 H3 F2 O3 -","- C16 H12 F8 O12 -","4","1","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","1.54184","CuKα","","0.0504","0.0462","","","0.1414","0.1463","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519399","6.332","0.006","4.701","0.005","17.423","0.016","90","","95.605","0.015","90","","516.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 F4 O4 -","- C10 H6 F4 O4 -","- C20 H12 F8 O8 -","2","0.5","","Gong, Yongyang; Zhao, Lifang; Peng, Qian; Fan, Di; Yuan, Wang Zhang; Zhang, Yongming; Tang, Ben Zhong","Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters","Chem. Sci.","2015","6","8","4438","","10.1039/C5SC00253B","","","0.71073","MoKα","","0.0709","0.065","","","0.1877","0.206","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519400","25.233","0.005","22.054","0.004","17.997","0.004","90","","99.09","0.03","90","","9889","4","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93.62 Ga4 Gd2 N15 O31.31 -","- C94 H85 Ga4 Gd2 N15 O31.31 -","- C376 H340 Ga16 Gd8 N60 O125.24 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0616","0.0422","","","0.1051","0.1206","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519401","25.1697","0.0006","22.1217","0.0006","17.9895","0.0005","90","","99.302","0.001","90","","9884.8","0.5","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Tb2 -","- C94 H85 Ga4 N15 O31 Tb2 -","- C376 H340 Ga16 N60 O124 Tb8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","0.71073","MoKα","","0.0657","0.0372","","","0.0814","0.098","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519402","25.1638","0.0018","22.1781","0.0004","18.0649","0.0003","90","","99.353","0.007","90","","9947.7","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Dy2 Ga4 N15 O31 -","- C94 H85 Dy2 Ga4 N15 O31 -","- C376 H340 Dy8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0627","0.0572","","","0.1545","0.1591","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519403","25.1476","0.0005","22.138","0.0004","18.0285","0.0013","90","","99.177","0.007","90","","9908.3","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C93 H91 Er2 Ga4 N15 O31 -","- C93 H81 Er2 Ga4 N15 O31 -","- C372 H324 Er8 Ga16 N60 O124 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0957","0.0868","","","0.2382","0.2574","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519404","25.1053","0.0018","22.1794","0.0004","18.0733","0.0003","90","","99.377","0.007","90","","9929.1","0.8","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H93 Ga4 N15 O31 Y2 -","- C94 H85 Ga4 N15 O31 Y2 -","- C376 H340 Ga16 N60 O124 Y8 -","4","0.5","","Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal","Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2derivative","Chem. Sci.","2015","6","7","4148","","10.1039/C5SC01029B","","","1.54178","CuKα","","0.0459","0.0437","","","0.1221","0.1238","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519405","5.8732","0.0017","11.684","0.003","28.383","0.008","90","","90","","90","","1947.7","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0477","","","0.109","0.119","","","","","","1.013","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1519406","11.541","0.0007","11.541","0.0007","52.812","0.005","90","","90","","120","","6091.9","0.8","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C35 H38 B F4 N3 O Si -","- C35 H38 B F4 N3 O Si -","- C210 H228 B6 F24 N18 O6 Si6 -","6","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0499","","","0.1267","0.1341","","","","","","1.003","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1519407","17.6073","0.0006","17.0188","0.0007","25.0871","0.001","90","","101.722","0.002","90","","7360.7","0.5","110","2","110","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","PCN-22","","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","- C154 H96 N14 O32 Ti7 -","1","0.25","","Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai","A single crystalline porphyrinic titanium metal‒organic framework","Chem. Sci.","2015","6","7","3926","","10.1039/C5SC00916B","","","0.71073","MoKα","","0.1262","0.0953","","","0.2222","0.2321","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519408","7.2307","0.0003","12.06","0.0005","14.471","0.0006","74.425","0.0017","82.9797","0.0018","79.6363","0.0018","1192.09","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl N5 O4 Pt -","- C25 H22 Cl N5 O4 Pt -","- C50 H44 Cl2 N10 O8 Pt2 -","2","1","","Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming","Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions","Chem. Sci.","2015","6","7","3823","","10.1039/C4SC03635B","","","1.54178","CuKα","","0.0428","0.0404","","","0.1075","0.1098","","","","","","1.068","","","","has coordinates","143344","2020-10-21","18:00:00",""
"1519409","6.2836","0.0003","12.6214","0.0007","37.0026","0.0017","90","","90","","90","","2934.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O3 -","- C17 H17 Cl O3 -","- C136 H136 Cl8 O24 -","8","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0297","0.0279","","","0.0709","0.0716","","","","","","1.056","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519410","12.1037","0.0002","6.87725","0.00012","16.6432","0.0003","90","","92.6683","0.0016","90","","1383.88","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0829","0.0823","","","0.2479","0.2481","","","","","","1.078","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519411","7.0438","0.0005","11.6921","0.0007","9.8846","0.0007","90","","108.47","0.008","90","","772.13","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl O3 -","- C18 H19 Cl O3 -","- C36 H38 Cl2 O6 -","2","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0336","0.0328","","","0.0886","0.0893","","","","","","1.062","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519412","6.71816","0.00007","13.19234","0.00016","17.888","0.0002","90","","90","","90","","1585.38","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0299","0.0295","","","0.0786","0.0789","","","","","","1.054","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519413","9.632","0.002","9.726","0.002","11.729","0.003","90","","90","","90","","1098.8","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl O3 -","- C12 H9 Cl O3 -","- C48 H36 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0471","0.0437","","","0.1154","0.1182","","","","","","1.073","","","","has coordinates","143346","2020-10-21","18:00:00",""
"1519414","7.45","0.0009","7.796","0.0009","21.193","0.003","90","","90","","90","","1230.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Br Cl O3 -","- C12 H8 Br Cl O3 -","- C48 H32 Br4 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0494","0.0386","","","0.0941","0.0988","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519415","19.3042","0.0005","19.3042","0.0005","19.3042","0.0005","90","","90","","90","","7193.8","0.3","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Y-ftw-MOF-1","","- C114 H86 O52 Y6 -","- C114 H86 O51.96 Y6 -","- C114 H86 O51.96 Y6 -","1","0.0208333","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.0922","0.0834","","","0.2599","0.2626","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519416","40.048","0.003","40.048","0.003","40.048","0.003","90","","90","","90","","64231","8","296","2","296.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-2","","- C138 H78 O35 Y6 -","- C138 H78 O35 Y6 -","- C1104 H624 O280 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.1233","0.0983","","","0.238","0.2493","","","","","","1.174","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519417","48.111","0.016","48.111","0.016","48.111","0.016","90","","90","","90","","111361","6","284","2","284","2","","","","","","","","4","I m -3","-I 2 2 3","204","","Y-ftw-MOF-3","","- C162 H78 O32 Y6 -","- C162 H78 O32 Y6 -","- C1296 H624 O256 Y48 -","8","0.166667","","Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed","Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs","Chem. Sci.","2015","6","7","4095","","10.1039/C5SC00614G","","","1.54178","CuKα","","0.104","0.0779","","","0.2006","0.2196","","","","","","0.871","","","","has coordinates,has disorder","143348","2020-10-21","18:00:00",""
"1519418","7.9685","0.0007","11.0136","0.0009","16.1416","0.0014","90","","90","","90","","1416.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F S -","- C17 H17 F S -","- C68 H68 F4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0286","0.0284","","","0.0709","0.0711","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519419","9.4841","0.0003","9.9993","0.0003","14.7157","0.0005","90","","90","","90","","1395.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F O S -","- C17 H17 F O S -","- C68 H68 F4 O4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0274","0.0265","","","0.0665","0.067","","","","","","1.048","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519420","14.663","0.0003","9.5972","0.0003","10.7876","0.0004","90","","109.646","0.002","90","","1429.7","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O2 S -","- C17 H17 F O2 S -","- C68 H68 F4 O8 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0573","0.0389","","","0.0844","0.0922","","","","","","1.023","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519421","20.3421","0.0007","4.6595","0.0002","9.8133","0.0004","90","","90","","90","","930.14","0.06","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H8 F N O3 S -","- C8 H8 F N O3 S -","- C32 H32 F4 N4 O12 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","0.71073","MoKα","","0.083","0.059","","","0.1356","0.153","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519422","7.2161","0.0003","7.3574","0.0003","9.1736","0.0004","86.045","0.0012","76.993","0.0012","78.266","0.0012","464.49","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 F N O4 S -","- C8 H8 F N O4 S -","- C16 H16 F2 N2 O8 S2 -","2","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0299","0.029","","","0.0745","0.0753","","","","","","1.049","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519423","9.4882","0.0018","10.3774","0.0019","15.575","0.003","90","","107.509","0.006","90","","1462.5","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kim, Jinhee; Sim, Mikyung; Kim, Namhoon; Hong, Sungwoo","Asymmetric C‒H functionalization of cyclopropanes using an isoleucine-NH2bidentate directing group","Chem. Sci.","2015","6","6","3611","","10.1039/C5SC01137J","","","0.71073","MoKα","","0.1687","0.1445","","","0.3846","0.3965","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519424","12.1843","0.0002","13.6819","0.0003","22.5624","0.0016","90","","99.683","0.007","90","","3707.7","0.3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cu N4 O4.5 -","- C19 H21 Cu N4 O4.5 -","- C152 H168 Cu8 N32 O36 -","8","2","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0518","0.0472","","","0.1457","0.1499","","","","","","1.162","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519425","14.1161","0.0003","15.8051","0.0011","14.538","0.0003","90","","90","","90","","3243.5","0.2","85","2","85","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H34 Cu2 N8 O6 -","- C36 H34 Cu2 N8 O6 -","- C144 H136 Cu8 N32 O24 -","4","0.5","","Moore, Cameron M.; Szymczak, Nathaniel K.","Nitrite reduction by copper through ligand-mediated proton and electron transfer","Chem. Sci.","2015","6","6","3373","","10.1039/C5SC00720H","","","1.54178","CuKα","","0.0328","0.0327","","","0.0833","0.0834","","","","","","1.152","","","","has coordinates","138476","2020-10-21","18:00:00",""
"1519426","8.7727","0.0011","16.781","0.002","18.22","0.002","90","","91.317","0.005","90","","2681.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 B Cl2 N2 -","- C26 H44 B Cl2 N2 -","- C104 H176 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0513","0.04","","","0.0986","0.1066","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519427","8.4091","0.0017","23.915","0.005","13.429","0.003","90","","91.008","0.007","90","","2700.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 B Cl2 N2 -","- C22 H39 B Cl2 N2 -","- C88 H156 B4 Cl8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0963","0.0662","","","0.2268","0.2453","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519428","7.1189","0.0006","15.9168","0.0014","15.0043","0.0012","90","","91.677","0.003","90","","1699.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 B Br2 N2 -","- C13 H28 B Br2 N2 -","- C52 H112 B4 Br8 N8 -","4","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0234","0.0216","","","0.057","0.0578","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519429","8.8938","0.0017","9.258","0.002","15.064","0.003","73.468","0.012","79.717","0.009","77.485","0.008","1151.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H41 B N2 -","- C23 H41 B N2 -","- C46 H82 B2 N4 -","2","1","","Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.","Generation of 1,2-azaboretidines via reduction of ADC borane adducts","Chem. Sci.","2015","6","6","3461","","10.1039/C5SC01077B","","","0.71073","MoKα","","0.0861","0.0549","","","0.1291","0.1422","","","","","","1.026","","","","has coordinates,has disorder","138477","2020-10-21","18:00:00",""
"1519430","17.37","0.0009","29.0684","0.0013","8.8805","0.0004","90","","94.498","0.004","90","","4470.1","0.4","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C240 H192 N24 O24 -","12","1.5","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.0653","0.0429","","","0.1098","0.1247","","","","","","1.029","","","","has coordinates","138478","2020-10-21","18:00:00",""
"1519431","9.4336","0.0008","9.5749","0.0008","9.9183","0.0009","115.803","0.009","97.324","0.007","104.839","0.007","749.69","0.14","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","N,N-dimethylaniline-N-naphthalimide","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","He, Xiaoyan; Benniston, Andrew C.; Saarenpää, Hanna; Lemmetyinen, Helge; Tkachenko, Nikolia V.; Baisch, Ulrich","Polymorph crystal packing effects on charge transfer emission in the solid state","Chem. Sci.","2015","6","6","3525","","10.1039/C5SC01151E","","","0.71073","MoKα","","0.06","0.0449","","","0.1109","0.1255","","","","","","1.029","","","","has coordinates","138478","2020-10-21","18:00:00",""
"1519432","21.4479","0.0014","30.381","0.002","34.189","0.002","90","","97.46","0.003","90","","22089","2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C394 H336 Cl20 N62 O76 Zn10 -","- C394 H336 Cl16 N62 O60 Zn10 -","- C788 H672 Cl32 N124 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1382","0.0998","","","0.2657","0.295","","","","","","1.05","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519433","34.5284","0.0004","34.5284","0.0004","34.5284","0.0004","90","","90","","90","","41165.1","0.8","120","2","120","2","","","","","","","","7","F 41 3 2","F 4d 2 3","210","","","","- C156 H132 B6 Br4 Co5 F24 N24 -","- C156 H132 Br4 Co5 N24 -","- C1248 H1056 Br32 Co40 N192 -","8","0.0833333","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.0788","0.0693","","","0.1854","0.194","","","","","","1.022","","","","has coordinates","138479","2020-10-21","18:00:00",""
"1519434","43.7451","0.0007","25.115","0.0004","39.7763","0.001","90","","100.245","0.002","90","","43003.8","1.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H132 Co4 F48 N24 P4.96 Sb3.04 -","- C156 H132 Co4 F47.997 N24 P4.958 Sb3.042 -","- C1248 H1056 Co32 F383.976 N192 P39.664 Sb24.336 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","1.5418","CuKα","","0.115","0.1016","","","0.2879","0.3025","","","","","","1.103","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1519435","21.4814","0.0019","30.514","0.002","34.022","0.003","90","","97.399","0.004","90","","22115","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Br Cl19 N60 O76 Zn10 -","- C390 H330 Br1.004 Cl15 N60 O60 Zn10 -","- C780 H660 Br2.008 Cl30 N120 O120 Zn20 -","2","0.5","","Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.","Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests","Chem. Sci.","2015","6","6","3533","","10.1039/C5SC01083G","","","0.6889","synchrotron","","0.1667","0.1249","","","0.3228","0.3585","","","","","","1.074","","","","has coordinates,has disorder","138479","2020-10-21","18:00:00",""
"1519436","7.792","0.003","8.315","0.003","16.462","0.006","97.337","0.005","96.252","0.005","90.184","0.004","1051.4","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0523","0.0404","","","0.1014","0.1076","","","","","","1.027","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519437","5.4158","0.0007","5.4438","0.0007","35.809","0.004","90","","93.3655","0.0017","90","","1053.9","0.2","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br4 Cl4 N2 Pb -","- C8 H20 Br4 Cl4 N2 Pb -","- C16 H40 Br8 Cl8 N4 Pb2 -","2","0.5","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.6888","","","0.0537","0.0533","","","0.1351","0.1354","","","","","","1.214","","","","has coordinates,has disorder","143354","2020-10-21","18:00:00",""
"1519438","7.9735","0.0009","8.3877","0.001","16.775","0.002","95.611","0.004","95.889","0.004","90.377","0.003","1110.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","DS157","","","- C8 H20 Br8 N2 Pb -","- C8 H20 Br8 N2 Pb -","- C16 H40 Br16 N4 Pb2 -","2","1","","Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I.","Post-synthetic halide conversion and selective halogen capture in hybrid perovskites","Chem. Sci.","2015","6","7","4054","","10.1039/C5SC01135C","","","0.71073","","","0.0593","0.0401","","","0.1027","0.1119","","","","","","1.051","","","","has coordinates","143354","2020-10-21","18:00:00",""
"1519439","9.1167","0.0001","7.9295","0.0001","11.3854","0.0008","90","","105.727","0.007","90","","792.25","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 F3 N S -","- C17 H18 F3 N S -","- C34 H36 F6 N2 S2 -","2","1","","Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong","Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst","Chem. Sci.","2015","6","7","4184","","10.1039/C5SC00878F","","","1.54187","CuKα","","0.0501","0.0436","","","0.1147","0.1223","","","","","","1.11","","","","has coordinates","143356","2020-10-21","18:00:00",""
"1519440","8.7857","0.0006","16.2342","0.0007","17.0357","0.001","90","","90","","90","","2429.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br O4 -","- C28 H27 Br O4 -","- C112 H108 Br4 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.71073","MoKα","","0.0456","0.0345","","","0.0694","0.0727","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519441","22.183","0.011","7.95","0.003","15.744","0.008","90","","122.929","0.005","90","","2330.5","1.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.7107","MoKα","","0.0497","0.0373","","","0.0947","0.1022","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1519442","16.4315","0.0012","18.87","0.0014","30.286","0.002","90","","90","","90","","9390.5","1.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C272 H348 Cl20 Cu20 N64 O192 P8 -","4","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","1.54178","CuKα","","0.0318","0.0291","","","0.071","0.0723","","","","","","1.025","","","","has coordinates","143364","2020-10-21","18:00:00",""
"1519443","17.821","0.002","49.945","0.005","18.529","0.002","90","","108.269","0.006","90","","15661","3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 -","- C219 H207 Cu15 F45 N48 O117.666 P6 S15 -","- C438 H414 Cu30 F90 N96 O235.332 P12 S30 -","2","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","0.71073","MoKα","","0.0621","0.0514","","","0.1454","0.1564","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519444","13.488","0.002","9.6611","0.0015","9.3604","0.0013","90","","90.183","0.005","90","","1219.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1147","0.0729","","","0.1936","0.2468","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519445","25.8998","0.0013","5.5463","0.0003","8.3187","0.0004","90","","95.876","0.004","90","","1188.69","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0772","0.0605","","","0.148","0.1587","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519446","10.2114","0.0002","30.3315","0.0007","8.2353","0.0002","90","","110.193","0.001","90","","2393.92","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","2","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0532","0.0398","","","0.1031","0.1117","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519448","9.736","0.0006","9.8752","0.0006","26.1543","0.0016","92.856","0.004","100.295","0.004","91.291","0.004","2469.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","4","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1473","0.0559","","","0.1223","0.16","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519449","10.6217","0.0016","14.442","0.002","8.2589","0.0012","90","","109.623","0.005","90","","1193.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinic acid-(1-phenyl-ethylidenehydrazide)","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0934","0.0532","","","0.1078","0.1241","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519450","43.879","0.009","9.5887","0.0019","25.05","0.005","90","","109.94","0.03","90","","9908","4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","Spiro-OMeTABPDOT","4,4',4'',4'''-(2H,2'H,4H,4'H-3,3'-spiro-bi[thieno[3,4-b][1,4]dioxepine]-6, 6',8,8'-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)","","- C93 H80 N4 O24 S2 -","- C93 H80 N4 O24 S2 -","- C372 H320 N16 O96 S8 -","4","1","","Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja","A simple spiro-type hole transporting material for efficient perovskite solar cells","Energy Environ. Sci.","2015","8","7","1986","","10.1039/C4EE03773A","","","1.54178","CuKα","","0.1885","0.1553","","","0.3446","0.3809","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519451","13.1111","0.0007","16.1465","0.0007","16.9214","0.0009","75.2","0.004","85.67","0.004","75.891","0.004","3358.6","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","Spiro-OMeTAD","2,2,7,7-tetrakis(N,N-di-p-methoxyphenylamine)-9,9-spirobifluorene","","- C84 H70.5 Cl0.5 N4 O8 -","- C84 H70.5 Cl0.5 N4 O8 -","- C168 H141 Cl N8 O16 -","2","1","","Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja","A simple spiro-type hole transporting material for efficient perovskite solar cells","Energy Environ. Sci.","2015","8","7","1986","","10.1039/C4EE03773A","","","0.71073","MoKα","","0.0573","0.0419","","","0.0971","0.1068","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519452","11.3306","0.0003","14.0417","0.0003","13.3887","0.0005","90","","106.842","0.004","90","","2038.79","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","copper(II) complex of anthracene-9-imidazoline hydrazone","cis-[CuCl2(9-AIH)]","","- C20 H18 Cl2 Cu N4 O -","- C20 H22 Cl2 Cu N4 O -","- C80 H88 Cl8 Cu4 N16 O4 -","4","1","","Qin, Qi-Pin; Liu, Yan-Cheng; Wang, Hai-Lu; Qin, Jiao-Lan; Cheng, Feng-Jie; Tang, Shang-Feng; Liang, Hong","Synthesis and antitumor mechanisms of a copper(ii) complex of anthracene-9-imidazoline hydrazone (9-AIH).","Metallomics : integrated biometal science","2015","7","7","1124","1136","10.1039/c5mt00027k","","","0.7107","MoKα","","0.0563","0.0444","","","0.1169","0.1257","","","","","","1.034","","","","has coordinates,has disorder","143718","2020-10-21","18:00:00",""
"1519453","40.701","0.012","11.574","0.002","23.897","0.005","90","","125.863","0.009","90","","9123","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 N3 O6 -","- C45 H45 N3 O3 -","- C360 H360 N24 O24 -","8","1","","Bregnhøj, Mikkel; Pimenta, Frederico M.; Poronik, Yevgen M.; Gryko, Daniel T.; Ogilby, Peter R.","Subtle structural changes in octupolar merocyanine dyes influence the photosensitized production of singlet oxygen.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2015","14","6","1138","1146","10.1039/c5pp00080g","","","1.54178","CuKα","","0.1872","0.0737","","","0.151","0.1843","","","","","","0.833","","","","has coordinates","138871","2020-10-21","18:00:00",""
"1519454","9.5159","0.0019","9.961","0.002","14.355","0.003","72.77","0.03","70.85","0.03","66.35","0.03","1155.9","0.5","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Cl2 O4 P2 Pd -","- C54 H46 Cl2 O4 P2 Pd -","- C54 H46 Cl2 O4 P2 Pd -","1","0.5","","Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher","Pd-complex driven formation of single-chain nanoparticles","Polym. Chem.","2015","6","24","4358","","10.1039/C5PY00389J","","","0.71073","MoKα","","0.0421","0.0315","","","0.0735","0.0756","","","","","","0.955","","","","has coordinates","143769","2020-10-21","18:00:00",""
"1519455","10.118","0.002","14.622","0.003","17.316","0.004","89.46","0.03","87.53","0.03","73.09","0.03","2448.8","1","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl2 O4 P2 Pd -","- C56 H50 Cl2 O4 P2 Pd -","- C112 H100 Cl4 O8 P4 Pd2 -","2","1","","Willenbacher, Johannes; Altintas, Ozcan; Trouillet, Vanessa; Knöfel, Nicolai; Monteiro, Michael J.; Roesky, Peter W.; Barner-Kowollik, Christopher","Pd-complex driven formation of single-chain nanoparticles","Polym. Chem.","2015","6","24","4358","","10.1039/C5PY00389J","","","0.71073","MoKα","","0.0556","0.0322","","","0.0654","0.0745","","","","","","0.866","","","","has coordinates,has disorder","143769","2020-10-21","18:00:00",""
"1519496","6.134","0.003","7.123","0.004","10.777","0.006","102.328","0.008","106.299","0.008","90.659","0.007","440.2","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C22 H20 Br N -","- C22 H20 Br N -","- C22 H20 Br N -","1","1","","Zhang, Zhenhua; Du, Haifeng","Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines.","Organic letters","2015","17","11","2816","2819","10.1021/acs.orglett.5b01240","","","0.71073","MoKα","","0.0418","0.0404","","","0.0902","0.0911","","","","","","1.093","","","","has coordinates","140285","2020-10-21","18:00:00",""
"1519497","17.313","0.003","24.678","0.004","9.5642","0.0017","90","","105.015","0.003","90","","3946.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HABIB-L","","- C46 H58 N4 O3 -","- C46 H58 N4 O3 -","- C184 H232 N16 O12 -","4","1","","Molla, Habib Ali; Bhowmick, Rahul; Katarkar, Atul; Chaudhuri, Keya; Gangopadhyay, Sumana; Ali, Mahammad","A novel rhodamine-3,4-dihydro-2H-1,3-benzoxazine conjugate as a highly sensitive and selective chemosensor for Fe3+ions with cytoplasmic cell imaging possibilities","Anal. Methods","2015","7","12","5149","","10.1039/C5AY00754B","","","0.71073","MoKα","","0.172","0.0861","","","0.24","0.2329","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519498","9.8924","0.0006","10.291","0.0007","15.6015","0.0006","91.437","0.004","94.959","0.004","101.331","0.005","1550.05","0.16","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N O -","- C41 H37 N O -","- C82 H74 N2 O2 -","2","1","","Deng, Haiqin; Hu, Rongrong; Leung, Anakin C. S.; Zhao, Engui; Lam, Jacky W. Y.; Tang, Ben Zhong","Construction of regio- and stereoregular poly(enaminone)s by multicomponent tandem polymerizations of diynes, diaroyl chloride and primary amines","Polym. Chem.","2015","6","24","4436","","10.1039/C5PY00477B","","x-ray","1.5418","CuKα","","0.0546","0.0453","","","0.12","0.127","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519611","7.3545","0.001","7.3545","0.001","27.835","0.006","90","","90","","90","","1505.6","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C12 H15 F N6 O4 -","- C12 H15 F N6 O4 -","- C48 H60 F4 N24 O16 -","4","1","","Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao","Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection.","Journal of medicinal chemistry","2015","58","9","3693","3703","10.1021/jm5012963","","","0.71073","MoKα","","0.0498","0.045","","","0.1359","0.1465","","","","","","0.513","","","","has coordinates","138258","2020-10-21","18:00:00",""
"1519612","8.713","0.0006","11.51","0.0008","20.253","0.0013","90","","90","","90","","2031.1","0.2","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Schizine A","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Liu, Xuemei; Frydenvang, Karla; Liu, Huizhen; Zhai, Lin; Chen, Ming; Olsen, Carl Erik; Christensen, Søren Brøgger","Iminolactones from Schizophyllum commune.","Journal of natural products","2015","78","5","1165","1168","10.1021/np500836y","","","0.71073","MoKα","","0.0431","0.035","","","0.078","0.0827","","","","","","1.092","","","","has coordinates","138266","2020-10-21","18:00:00",""
"1519613","9.4572","0.0003","7.77569","0.00019","19.2277","0.0005","90","","103.188","0.003","90","","1376.64","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0485","0.0475","","","0.1284","0.131","","","","","","1.039","","","","has coordinates","138268","2020-10-21","18:00:00",""
"1519614","12.4345","0.0004","6.06696","0.00015","12.7077","0.0004","90","","115.588","0.004","90","","864.64","0.05","249","30","249","30","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0451","0.0445","","","0.1227","0.124","","","","","","1.037","","","","has coordinates","138268","2020-10-21","18:00:00",""
"1519615","6.3147","0.0002","23.2682","0.0009","25.4495","0.0011","90","","90","","90","","3739.3","0.2","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31.5 N0.5 O2 -","- C21 H31.5 N0.5 O2 -","- C168 H252 N4 O16 -","8","2","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0641","0.0478","","","0.1146","0.1259","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519616","8.2224","0.0003","9.2785","0.0003","15.4339","0.0007","90.007","0.003","90.047","0.003","96.421","0.003","1170.09","0.08","213.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N O3 -","- C11 H8 I N O3 -","- C44 H32 I4 N4 O12 -","4","2","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.54187","CuKα","","","0.1495","","","","0.4875","","","","","","4.767","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1519617","9.396","0.002","11.516","0.002","9.933","0.001","90","","97.59","0.01","90","","1065.4","0.3","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C44 H32 Cl4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0514","","","","0.133","","","","","","0.722","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519618","4.108","0.001","11.388","0.002","11.496","0.002","93.34","0.02","94.58","0.02","90.96","0.02","535.05","0.19","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N O3 -","- C11 H8 Br N O3 -","- C22 H16 Br2 N2 O6 -","2","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0669","","","","0.2127","","","","","","1.897","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519619","10.072","0.002","5.665","0.001","17.929","0.003","90","","103.34","0.02","90","","995.4","0.3","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C44 H32 F4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.08","","","","0.231","","","","","","0.928","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519620","9.7456","0.0001","10.052","0.0001","12.315","0.0002","90","","107.912","0.0003","90","","1147.93","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin Ethanol Solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide ethanol solvate","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C46 H58 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0338","0.0336","","","0.0942","0.0944","","","","","","1.054","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1519621","9.4995","0.0002","9.7624","0.0002","12.7614","0.0003","90","","111.666","0.0006","90","","1099.86","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin methanol solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide methanol solvate","","- C22 H27 N3 O6 -","- C22 H27 N3 O6 -","- C44 H54 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0303","0.0299","","","0.085","0.0854","","","","","","1.064","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1519622","19.306","0.008","4.5687","0.0019","22.128","0.009","90","","103.674","0.008","90","","1896.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O3 Pd -","- C22 H18 Cl N O3 Pd -","- C88 H72 Cl4 N4 O12 Pd4 -","4","1","","Ren, Zhi; Schulz, Jonathan E.; Dong, Guangbin","Catalytic Ortho-Acetoxylation of Masked Benzyl Alcohols via an Exo-Directing Mode.","Organic letters","2015","17","11","2696","2699","10.1021/acs.orglett.5b01098","","","0.71073","MoKα","","0.1351","0.0771","","","0.1476","0.1706","","","","","","1.017","","","","has coordinates","141409","2020-10-21","18:00:00",""
"1519623","24.877","0.01","7.087","0.003","7.92","0.003","90","","90.593","0.006","90","","1396.2","1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 I N O2 -","- C15 H10 I N O2 -","- C60 H40 I4 N4 O8 -","4","1","","Huang, Hai; Zhu, Xiaolin; He, Guangke; Liu, Qi; Fan, Junzhen; Zhu, Hongjun","Controlled Synthesis of 1,3,5-Oxadiazin-2-ones and Oxazolones through Regioselective Iodocyclization of Ynamides.","Organic letters","2015","17","10","2510","2513","10.1021/acs.orglett.5b01045","","","0.71073","MoKα","","0.0822","0.0773","","","0.2091","0.2199","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519624","17.2248","0.0013","7.9565","0.0006","45.621","0.003","90","","93.087","0.004","90","","6243.2","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14051d","","","- C36.5 H45 N O Si -","- C36.5 H45 N O Si -","- C292 H360 N8 O8 Si8 -","8","2","","Ma, Zhi-Xiong; Patel, Ashay; Houk, K. N.; Hsung, Richard P.","Highly Torquoselective Electrocyclizations and Competing 1,7-Hydrogen Shifts of 1-Azatrienes with Silyl Substitution at the Allylic Carbon.","Organic letters","2015","","","150410083922001","","10.1021/acs.orglett.5b00727","","","1.54178","CuKα","","0.0793","0.065","","","0.1663","0.1775","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1519625","10.2671","0.0002","10.1236","0.0002","23.3329","0.0006","90","","98.876","0.002","90","","2396.18","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N -","- C32 H30 B N -","- C128 H120 B4 N4 -","4","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1202","0.055","","","0.1212","0.1506","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519626","10.0993","0.0002","10.2609","0.0002","23.8794","0.0005","90","","97.3582","0.0011","90","","2454.19","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B N -","- C32 H32 B N -","- C128 H128 B4 N4 -","4","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1085","0.0783","","","0.1621","0.1772","","","","","","1.154","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519627","8.8087","0.0005","11.1753","0.0006","16.1219","0.0009","72.148","0.004","78.052","0.004","74.662","0.004","1443.04","0.14","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 B N -","- C38 H34 B N -","- C76 H68 B2 N2 -","2","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1254","0.0575","","","0.1344","0.1636","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519628","30.624","0.013","56.38","0.02","22.177","0.009","90","","93.399","0.011","90","","38223","3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H70 B4 O20 -","- C102 H70 B4 O20 -","- C816 H560 B32 O160 -","8","1","","Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Multilayered inclusion nanocycles of anionic spiroborates.","Organic letters","2015","17","10","2466","2469","10.1021/acs.orglett.5b00974","","","0.7107","MoKα","","0.3251","0.1864","","","0.4594","0.5366","","","","","","1.108","","","","has coordinates","140264","2020-10-21","18:00:00",""
"1519629","7.3915","0.0012","13.779","0.002","19.135","0.003","90","","93.863","0.003","90","","1944.4","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0769","0.0695","","","0.1907","0.1983","","","","","","0.962","","","","has coordinates,has disorder","138312","2020-10-21","18:00:00",""
"1519630","11.225","0.0018","13.361","0.002","11.0143","0.0018","90","","118.102","0.002","90","","1457.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0598","0.0526","","","0.1324","0.1378","","","","","","1.087","","","","has coordinates","138312","2020-10-21","18:00:00",""
"1519631","8.9148","0.0006","16.7339","0.0011","10.5655","0.0007","90","","95.855","0.001","90","","1567.93","0.18","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C68 H64 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0436","0.0399","","","0.1154","0.1199","","","","","","1.058","","","","has coordinates","138312","2020-10-21","18:00:00",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1519633","8.1106","0.0002","14.7261","0.0004","12.4891","0.0003","90","","100.409","0.001","90","","1467.12","0.06","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 F5 Mo O3 -","- C15 H7 F5 Mo O3 -","- C60 H28 F20 Mo4 O12 -","4","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0179","0.0153","","","0.0358","0.0369","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519634","35.1081","0.0009","14.6516","0.0002","31.3279","0.0008","90","","101.649","0.002","90","","15782.8","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C63.2 H72.55 I6 N13.06 Zn3 -","- C63.197 H72.553 I6 N13.062 Zn3 -","- C505.576 H580.424 I48 N104.496 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0829","0.058","","","0.1602","0.1852","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519635","35.2721","0.0009","14.6427","0.0002","31.6037","0.0009","90","","102.029","0.002","90","","15964.2","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60.26 H61.53 I6 N14 Zn3 -","- C60.2635 H61.526 I6 N14 Zn3 -","- C482.108 H492.208 I48 N112 Zn24 -","8","2","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0899","0.0651","","","0.1864","0.2139","","","","","","1.019","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519636","34.8299","0.0007","14.9133","0.0002","31.5387","0.0006","90","","102.403","0.002","90","","15999.8","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C84.5 H64 I12.04 N24 S0.5 Zn6 -","- C84.5 H64 I12.036 N24 S0.5 Zn6 -","- C338 H256 I48.144 N96 S2 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.0754","0.0598","","","0.1854","0.2036","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519637","34.4391","0.0011","15.0959","0.0003","29.9556","0.001","90","","101.454","0.003","90","","15263.4","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C87.64 H68.04 I12 N24 S0.62 Zn6 -","- C87.61 H68.024 I12 N24 S0.622 Zn6 -","- C350.44 H272.096 I48 N96 S2.488 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","x-ray","1.54184","CuKα","","0.1034","0.0749","","","0.2307","0.2612","","","","","","1.036","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519638","34.2","0.003","15.1265","0.0013","31.003","0.003","90","","102.385","0.001","90","","15665","2","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C85.6 H63.3 I12 N24 O1.7 Zn6 -","- C342.4 H253.2 I48 N96 O6.8 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1378","0.0978","","","0.2817","0.3129","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519639","34.627","0.004","15.0818","0.0016","31.194","0.003","90","","102.792","0.001","90","","15886","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C86.95 H64.82 I12 N24 O1.87 Zn6 -","- C86.9504 H64.8192 I12 N24 O1.8688 Zn6 -","- C347.802 H259.277 I48 N96 O7.4752 Zn24 -","4","1","","Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto","Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method","Chem. Sci.","2015","6","7","3765","","10.1039/C5SC01681A","","","0.71073","MoKα","","0.1088","0.0745","","","0.224","0.2548","","","","","","1.048","","","","has coordinates,has disorder","143340","2020-10-21","18:00:00",""
"1519640","10.6728","0.0003","15.0865","0.0004","21.8147","0.0006","90","","93.643","0.003","90","","3505.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 1,4,2-diazaphospholidine-3,5-dionide","","- C34 H50 N2 Na O4 P -","- C34 H50 N2 Na O4 P -","- C136 H200 N8 Na4 O16 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.1386","0.0747","","","0.1273","0.1523","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519641","19.3693","0.0013","14.6742","0.001","21.9183","0.0017","90","","111.339","0.002","90","","5802.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 Na O5 P -","- C24 H44 N4 Na O5 P -","- C192 H352 N32 Na8 O40 P8 -","8","2","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","0.71073","MoKα","","0.0783","0.0503","","","0.1097","0.1234","","","","","","1.027","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1519642","10.4709","0.0003","17.4983","0.0005","18.6976","0.0005","90","","90","","90","","3425.83","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 N4 Na O6 P -","- C32 H54 N4 Na O6 P -","- C128 H216 N16 Na4 O24 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.046","0.0409","","","0.0926","0.1001","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519643","10.7457","0.0002","17.6496","0.0003","21.5074","0.0003","90","","99.87","0.001","90","","4018.66","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)][PC2O2(NDipp)2]","","- C38 H58 K N2 O8 P -","- C38 H58 K N2 O8 P -","- C152 H232 K4 N8 O32 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.0663","0.0627","","","0.1822","0.1859","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519644","13.233","0.0003","19.9093","0.0004","13.5733","0.0003","90","","115.271","0.003","90","","3233.79","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(18-crown-6)][P{(CO)2[N(Dipp)]2}2]","","- C64 H92 K N4 O10 P -","- C64 H92 K N4 O10 P -","- C128 H184 K2 N8 O20 P2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","","","0.055","0.0458","","","0.1096","0.1168","","","","","","1.025","","","","has coordinates,has disorder","143342","2020-10-21","18:00:00",""
"1519645","11.0343","0.0003","12.2286","0.0003","17.5339","0.0005","77.103","0.005","85.701","0.006","69.694","0.005","2162.9","0.13","20","2","20.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.35312","","","0.0593","0.0445","","","0.117","0.1299","","","","","","0.949","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519646","11.0141","0.0005","12.2286","0.0005","17.5325","0.0007","77.161","0.004","85.753","0.003","69.723","0.004","2159.67","0.17","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.041","0.0359","","","0.0809","0.0842","","","","","","1.037","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519647","11.087","0.0007","12.2243","0.0009","18.3363","0.0013","79.664","0.003","85.44","0.003","68.727","0.002","2277.9","0.3","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 Dy N2 O6 -","- C43 H65 Dy N2 O6 -","- C86 H130 Dy2 N4 O12 -","2","1","","Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song","Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?","Chem. Sci.","2015","6","8","4587","","10.1039/C5SC01245G","","","0.71073","MoKα","","0.0414","0.0362","","","0.092","0.0961","","","","","","1.196","","","","has coordinates","153086","2020-10-21","18:00:00",""
"1519649","13.7778","0.0004","7.2709","0.0002","11.5488","0.0003","90","","90","","90","","1156.92","0.06","300.1","1","300.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","geschieberite","- H2 K2 O12 S2 U -","- K2 O12 S2 U -","- K8 O48 S8 U4 -","4","1","","Plášil, J.; Hloušek, J.; Kasatkin, A. V.; Škoda, R.; Novák, M.; Čejka, J.","Geschieberite, K~2~(UO~2~)(SO~4~)~2~(H~2~O)~2~, a new uranyl sulfate mineral from Jáchymov","Mineralogical Magazine","2015","79","1","205","216","10.1180/minmag.2015.079.1.16","","x-ray","0.7107","MoKα","","0.0346","0.0282","","","0.0648","0.0681","","","","1.53","1.53","1.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"1519650","11.8085","0.0009","15.4553","0.0012","25.507","0.002","73.327","0.003","88.656","0.003","71.56","0.003","4218.8","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H45 N3 O6 -","- C52 H45 N3 O6 -","- C208 H180 N12 O24 -","4","2","","Heinz, Luisa G.; Yushchenko, Oleksandr; Neuburger, Markus; Vauthey, Eric; Wenger, Oliver S.","Tetramethoxybenzene is a Good Building Block for Molecular Wires: Insights from Photoinduced Electron Transfer.","The journal of physical chemistry. A","2015","119","22","5676","","10.1021/acs.jpca.5b03649","","","1.54178","CuKα","","0.0683","0.0659","","0.0767","0.0693","0.0688","","","","","","1.074","","","","has coordinates","138288","2020-10-21","18:00:00",""
"1519651","5.4571","0.0005","34.89","0.003","7.6271","0.0007","90","","96.378","0.002","90","","1443.2","0.2","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Liu, Yafei; Shao, Xinxin; Zhang, Panpan; Lu, Long; Shen, Qilong","Trifluoromethyl-substituted sulfonium ylide: rh-catalyzed carbenoid addition to trifluoromethylthioether.","Organic letters","2015","17","11","2752","2755","10.1021/acs.orglett.5b01170","","","0.71073","MoKα","","0.053","0.0446","","","0.121","0.1316","","","","","","1.184","","","","has coordinates","152909","2020-10-21","18:00:00",""
"1519652","18.4589","0.0002","58.006","0.0009","11.59672","0.00017","90","","90","","90","","12416.9","0.3","180","","180","","","","101","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C47 H59 N O5 -","- C47 H59 N O5 -","- C564 H708 N12 O60 -","12","3","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.5418","CuKα","","0.0526","0.0507","","0.1289","0.1271","0.1288","","","","","","0.8818","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519653","34.9361","0.0016","10.48642","0.00015","26.842","0.0012","90","","135.583","0.008","90","","6882.4","1.1","120","","120","","","","101","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C328 H368 O40 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.54184","CuKα","","0.038","0.0332","","0.0776","0.0736","0.0776","","","","","","0.8837","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519654","20.7243","0.0006","10.45113","0.00017","21.5504","0.0005","90","","113.543","0.003","90","","4279.1","0.2","180","","180","","","","101","","","","","3","P 1 21 1","P 2yb","4","","","","- C48.5 H58 O6.5 -","- C48.5 H58 O6.5 -","- C194 H232 O26 -","4","2","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.54184","CuKα","","0.091","0.0855","","0.2214","0.2127","0.2213","","","","","","0.9818","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1519655","14.0307","0.0016","8.5721","0.001","15.203","0.003","90","","109.89","0.001","90","","1719.4","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin","Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.","Organic letters","2015","17","11","2684","2687","10.1021/acs.orglett.5b01078","","","0.71073","MoKα","","0.029","0.0273","","","0.0583","0.0588","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519656","13.373","0.002","16.581","0.003","8.8083","0.0016","90","","93.638","0.003","90","","1949.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin","Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.","Organic letters","2015","17","11","2684","2687","10.1021/acs.orglett.5b01078","","","0.71073","MoKα","","0.0463","0.0364","","","0.1043","0.1201","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519657","10.5446","0.0012","9.5462","0.001","24.575","0.003","90","","91.778","0.002","90","","2472.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl N O7 -","- C24 H28 Cl N O7 -","- C96 H112 Cl4 N4 O28 -","4","1","","Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong","Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.","Organic letters","2015","17","11","2680","2683","10.1021/acs.orglett.5b01077","","","0.71073","MoKα","","0.0743","0.0556","","","0.1354","0.1496","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519658","10.409","0.0007","15.4718","0.0011","16.588","0.0011","90","","90","","90","","2671.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br N O6 -","- C28 H28 Br N O6 -","- C112 H112 Br4 N4 O24 -","4","1","","Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong","Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.","Organic letters","2015","17","11","2680","2683","10.1021/acs.orglett.5b01077","","","0.71073","MoKα","","0.0661","0.0414","","","0.093","0.1023","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519659","8.4907","0.0003","8.5157","0.0002","12.152","0.0004","90","","109.005","0.004","90","","830.75","0.05","173.01","0.11","173.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Zhao, Qin; Chen, Guo-Dong; Feng, Xiao-Lin; Yu, Yang; He, Rong-Rong; Li, Xiao-Xia; Huang, Yan; Zhou, Wen-Xia; Guo, Liang-Dong; Zheng, Yi-Zhi; Yao, Xin-Sheng; Gao, Hao","Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.","Journal of natural products","2015","78","6","1221","1230","10.1021/np500912t","","","1.54178","CuKα","","0.0367","0.0358","","","0.0893","0.0904","","","","","","1.029","","","","has coordinates","141363","2020-10-21","18:00:00",""
"1519660","7.2425","0.0003","8.2512","0.0003","13.6931","0.0005","90","","96.661","0.003","90","","812.77","0.05","173","0.3","173","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Zhao, Qin; Chen, Guo-Dong; Feng, Xiao-Lin; Yu, Yang; He, Rong-Rong; Li, Xiao-Xia; Huang, Yan; Zhou, Wen-Xia; Guo, Liang-Dong; Zheng, Yi-Zhi; Yao, Xin-Sheng; Gao, Hao","Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.","Journal of natural products","2015","78","6","1221","1230","10.1021/np500912t","","","1.54184","CuKα","","0.0363","0.0311","","","0.0716","0.0759","","","","","","1.094","","","","has coordinates","141363","2020-10-21","18:00:00",""
"1519661","3.53131","0.00008","3.53131","0.00008","18.609","0.0006","90","","90","","120","","200.967","0.009","973","","973","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.9 S2 Ti -","- Li0.9 S2 Ti -","- Li2.7 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0296","0.0229","","0.0305","0.0298","","","0.0296","1.22","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519662","3.49902","0.00007","3.49902","0.00007","18.6498","0.0006","90","","90","","120","","197.741","0.008","873","","873","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.7 S2 Ti -","- Li0.7 S2 Ti -","- Li2.1 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0423","0.026","","0.0281","0.0261","","","0.0277","1.17","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519663","3.52138","0.00008","3.52138","0.00008","18.5588","0.0006","90","","90","","120","","199.3","0.009","873","","873","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.9 S2 Ti -","- Li0.9 S2 Ti -","- Li2.7 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0261","0.0171","","0.0221","0.0202","","","0.0211","1.23","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519664","3.49658","0.00008","3.49658","0.00008","18.6529","0.0007","90","","90","","120","","197.499","0.01","973","","973","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.7 S2 Ti -","- Li0.7 S2 Ti -","- Li2.1 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0366","0.0239","","0.0277","0.0263","","","0.0291","1.04","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519665","8.066","0.002","11.397","0.002","19.555","0.004","74.776","0.009","80.442","0.009","85.17","0.009","1708.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0657","0.05","","","0.1211","0.1368","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519666","25.2378","0.0011","8.6872","0.0004","18.8139","0.0008","90","","130.447","0.005","90","","3139.1","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N2 O20 S2 -","- C26 H18 Co3 N2 O20 S2 -","- C104 H72 Co12 N8 O80 S8 -","4","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0626","0.0522","","","0.1165","0.1246","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519667","7.6877","0.0003","24.3258","0.0009","18.1655","0.0008","90","","94.185","0.001","90","","3388.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Co3 N8 O32 S2 -","- C56 H66 Co3 N8 O28 S2 -","- C112 H132 Co6 N16 O56 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0489","0.0393","","","0.0967","0.1009","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519668","9.4916","0.0005","9.5694","0.0005","10.5062","0.0005","105.776","0.001","109.863","0.001","94.71","0.001","847.49","0.08","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0424","0.0352","","","0.0956","0.1146","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519669","10.118","0.005","13.926","0.005","19.699","0.005","90","","90.537","0.005","90","","2775.5","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Co2 N8 O22 S2 -","- C56 H56 Co2 N8 O22 S2 -","- C112 H112 Co4 N16 O44 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0639","0.0479","","","0.1158","0.1247","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519670","10.5832","0.0005","15.6631","0.0006","9.8457","0.0005","90","","96.447","0.005","90","","1621.76","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,5-Dihydro-1-1H-pyrrol-1-yl)-3-iodoprop-2-yn-1-one","","- C7 H6 I N O -","- C7 H6 I N O -","- C56 H48 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0449","0.0342","","","0.078","0.0843","","","","","","1.029","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519671","10.344","0.0003","15.8341","0.0005","10.4832","0.0004","90","","95.996","0.003","90","","1707.63","0.1","179.95","0.1","179.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodo-1-(pyrrolidin-1-yl)prop-2-yn-1-one","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.053","0.0336","","","0.0571","0.068","","","","","","1.03","","","","has coordinates,has disorder","143412","2020-10-21","18:00:00",""
"1519672","9.1784","0.0003","8.6829","0.0003","11.5199","0.0004","90","","92.699","0.003","90","","917.06","0.05","150.1","0.5","150.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one","","- C8 H10 I N O -","- C8 H10 I N O -","- C32 H40 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.0348","0.0252","","","0.0423","0.0462","","","","","","1.046","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519673","8.7638","0.0003","8.591","0.0003","11.4989","0.0004","90","","101.488","0.004","90","","848.41","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(morpholin-4-yl)prop-2-yn-1-one","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C28 H32 I4 N4 O8 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.71073","MoKα","","0.0318","0.0241","","","0.0457","0.0497","","","","","","1.033","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519674","10.812","0.0004","8.1725","0.0002","9.279","0.0003","90","","102.202","0.004","90","","801.38","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodopropiolamide acetonitrile complex","","- C5 H5 I N2 O -","- C5 H5 I N2 O -","- C20 H20 I4 N8 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0314","0.0242","","","0.0484","0.0532","","","","","","1.041","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519676","8.3311","0.0001","19.4283","0.0002","16.2362","0.0002","90","","103.855","0.001","90","","2551.52","0.05","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 N9 -","- C33 H21 N9 -","- C132 H84 N36 -","4","1","","Laramée-Milette, Baptiste; Lussier, Félix; Ciofini, Ilaria; Hanan, Garry S.","A family of Ru(ii) complexes built on a novel sexipyridine building block: synthesis, photophysical properties and the rare structural characterization of a triruthenium species.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11551","11561","10.1039/c5dt00631g","","","1.54178","CuKα","","0.0405","0.0347","","","0.0932","0.0982","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519677","22.8909","0.0007","13.6566","0.0004","35.3984","0.0012","90","","91.874","0.002","90","","11060","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H78 B6 F24 N24 Ru3 -","- C99 H78 B6 F23.97 N24 Ru3 -","- C396 H312 B24 F95.88 N96 Ru12 -","4","1","","Laramée-Milette, Baptiste; Lussier, Félix; Ciofini, Ilaria; Hanan, Garry S.","A family of Ru(ii) complexes built on a novel sexipyridine building block: synthesis, photophysical properties and the rare structural characterization of a triruthenium species.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11551","11561","10.1039/c5dt00631g","","x-ray","1.34139","GaKα","","0.1023","0.0731","","","0.2023","0.2174","","","","","","1.037","","","","has coordinates,has disorder","143565","2020-10-21","18:00:00",""
"1519678","11.9445","0.0007","11.9445","0.0007","13.2162","0.0014","90","","90","","120","","1633","0.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Cd Cl2 N36 O8 -","- C6 H24 Cd Cl2 N36 O8 -","- C12 H48 Cd2 Cl4 N72 O16 -","2","0.166667","","Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin","Controllable explosion: fine-tuning the sensitivity of high-energy complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12497","12501","10.1039/c5dt01462j","","","0.71073","MoKα","","0.0294","0.0228","","","0.0682","0.0756","","","","","","0.951","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519679","11.8398","0.0009","11.8398","0.0009","6.57","0.001","90","","90","","120","","797.6","0.15","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 Cl2 N36 O8 Zn -","- C6 H24 Cl2 N36 O8 Zn -","- C6 H24 Cl2 N36 O8 Zn -","1","0.166667","","Wang, Kun; Zeng, Dihao; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Li, Zhi-Min; Jin, Xin","Controllable explosion: fine-tuning the sensitivity of high-energy complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12497","12501","10.1039/c5dt01462j","","","0.71073","MoKα","","0.0355","0.0289","","","0.0748","0.0795","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519680","25.848","0.002","11.2564","0.0005","20.6909","0.0016","90","","122.413","0.011","90","","5082.2","0.9","297","14","297","14","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","3","","- C49 H42 Au2 Cl2 N2 O4 P4 S2 -","- C49 H42 Au2 Cl2 N2 O4 P4 S2 -","- C196 H168 Au8 Cl8 N8 O16 P16 S8 -","4","0.5","","Vidal, C.; Merz, L.; García-Álvarez, J.","Deep eutectic solvents: biorenewable reaction media for Au( <scp>i</scp> )-catalysed cycloisomerisations and one-pot tandem cycloisomerisation/Diels–Alder reactions","Green Chemistry","2015","17","7","3870","3878","10.1039/C5GC00656B","","","1.5418","CuKα","","0.0497","0.0428","","","0.1171","0.1241","","","","","","1.129","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519685","10.7801","0.0003","12.9089","0.0002","23.4459","0.0007","90","","101.782","0.003","90","","3193.97","0.14","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O5 -","- C32 H48 O5 -","- C128 H192 O20 -","4","2","","Xu, Wen-Jun; Zhu, Meng-Di; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Kong, Ling-Yi","Hypermongones A-J, Rare Methylated Polycyclic Polyprenylated Acylphloroglucinols from the Flowers of Hypericum monogynum.","Journal of natural products","2015","78","5","1093","1100","10.1021/acs.jnatprod.5b00066","","","1.54184","CuKα","","0.0674","0.0527","","","0.1443","0.1611","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519686","25.987","0.003","25.987","0.003","12.7789","0.0012","90","","90","","120","","7473.7","1.4","100.1","0.5","100.1","0.5","","","","","","","","5","P 65","P 65","170","","","","- C43 H59 Cl3 N4 O7 -","- C43 H59 Cl3 N4 O7 -","- C258 H354 Cl18 N24 O42 -","6","1","","Lim, Kuan-Hon; Raja, Vijay J.; Bradshaw, Tracey D.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, tacaman, and cytotoxic bisindole alkaloids from tabernaemontana. Cononusine, an iboga alkaloid with unusual incorporation of a pyrrolidone moiety.","Journal of natural products","2015","78","5","1129","1138","10.1021/acs.jnatprod.5b00117","","","0.71073","MoKα","","0.1952","0.1011","","","0.2296","0.2847","","","","","","1.183","","","","has coordinates","138269","2020-10-21","18:00:00",""
"1519687","19.8829","0.0006","17.3599","0.0006","17.7114","0.0007","90","0.0013","93.9113","0.0012","90","0.003","6099.1","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H41 Eu F18 O8 P2 Ru2 -","- C59 H41 Eu F18 O8 P2 Ru2 -","- C236 H164 Eu4 F72 O32 P8 Ru8 -","4","0.5","","Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji","Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units.","The journal of physical chemistry. A","2015","119","20","4825","4833","10.1021/acs.jpca.5b01809","","","0.71075","MoKα","","0.0367","0.0328","","","0.0887","0.0912","","","","","","1.076","","","","has coordinates","138289","2020-10-21","18:00:00",""
"1519688","13.2288","0.0008","15.9521","0.0009","25.7223","0.0015","89.205","0.002","78.7105","0.0018","85.587","0.002","5307.3","0.5","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H31 Eu F18 O8 P2 Ru -","- C49 H31 Eu F18 O8 P2 Ru -","- C196 H124 Eu4 F72 O32 P8 Ru4 -","4","2","","Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji","Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units.","The journal of physical chemistry. A","2015","119","20","4825","4833","10.1021/acs.jpca.5b01809","","","0.71075","MoKα","","0.1206","0.1004","","","0.2715","0.2779","","","","","","1.616","","","","has coordinates","138289","2020-10-21","18:00:00",""
"1519689","11.152","0.003","12.874","0.003","13.332","0.003","90","","90.179","0.006","90","","1914.1","0.8","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Sasaki, Shunsuke; Hattori, Kengo; Igawa, Kazunobu; Konishi, Gen-Ichi","Directional Control of π-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study.","The journal of physical chemistry. A","2015","119","20","4898","4906","10.1021/acs.jpca.5b03238","","","0.71075","MoKα","","0.1449","0.1179","","","0.1882","0.1984","","","","","","1.246","","","","has coordinates","138290","2020-10-21","18:00:00",""
"1519690","12.939","0.003","8.692","0.002","16.454","0.004","90","","105.933","0.016","90","","1779.4","0.7","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H18 N -","- C104 H72 N4 -","4","1","","Sasaki, Shunsuke; Hattori, Kengo; Igawa, Kazunobu; Konishi, Gen-Ichi","Directional Control of π-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study.","The journal of physical chemistry. A","2015","119","20","4898","4906","10.1021/acs.jpca.5b03238","","","1.54187","CuKα","","","0.0463","","","","0.1073","","","","","","1","","","","has coordinates","138290","2020-10-21","18:00:00",""
"1519691","9.7837","0.0005","17.3161","0.001","17.4313","0.001","80.898","0.003","88.203","0.003","89.242","0.003","2914.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 N2 Zr -","- C28 H52 N2 Zr -","- C112 H208 N8 Zr4 -","4","2","","Zhang, Chunming; Pan, Heqi; Klosin, Jerzy; Tu, Siyu; Jaganathan, Arvind; Fontaine, Philip P.","Synthetic Optimization and Scale-Up of Imino‒Amido Hafnium and Zirconium Olefin Polymerization Catalysts","Organic Process Research & Development","2015","19","10","1383","","10.1021/acs.oprd.5b00047","","","0.71073","MoKα","","0.0747","0.0683","","","0.1822","0.186","","","","","","1.154","","","","has coordinates,has disorder","170097","2020-10-21","18:00:00",""
"1519692","14.8632","0.0005","7.9124","0.0002","18.9392","0.0004","90","","90","","90","","2227.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","0.71073","MoKα","","0.0466","0.0413","","","0.1006","0.106","","","","","","1.071","","","","has coordinates","173603","2020-10-21","18:00:00",""
"1519693","18.0735","0.0013","12.3153","0.0012","9.8022","0.0008","90","","91.823","0.005","90","","2180.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Kiang, Y.-H.; Bercot, Eric A.; Wu, Qiong; Liu, Jodi; Milburn, Robert R.; Cohen, Dawn E.; Borths, Christopher J.; Saw, Robert E.; Staples, Richard J.; Davis, Carl; Thiel, Oliver R.","Selection of a Suitable Physical Form and Development of a Crystallization Process for a PDE10A Inhibitor Exhibiting Enantiotropic Polymorphism","Organic Process Research & Development","2015","19","12","1849","","10.1021/acs.oprd.5b00031","","","1.54178","CuKα","","0.0653","0.0454","","","0.1136","0.1259","","","","","","1.023","","","","has coordinates","173603","2020-10-21","18:00:00",""
"1519694","5.7372","0.0005","21.0648","0.0018","10.9631","0.0011","90","","94.428","0.007","90","","1321","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 S -","- C14 H11 N O4 S -","- C56 H44 N4 O16 S4 -","4","1","","Singh, Rahul; Allam, Bharat Kumar; Singh, Neetu; Kumari, Kumkum; Singh, Satish Kumar; Singh, Krishna Nand","A Direct Metal-Free Decarboxylative Sulfono Functionalization (DSF) of Cinnamic Acids to α,β-Unsaturated Phenyl Sulfones.","Organic letters","2015","17","11","2656","2659","10.1021/acs.orglett.5b01037","","","0.71073","MoKα","","0.1744","0.0911","","","0.2394","0.3092","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519695","8.099","0.003","13.445","0.004","16.407","0.005","90","","90","","90","","1786.6","1","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","A non-cross-coupling approach to arene-bridged macrocycles: synthesis, structure, and direct, regioselective functionalization of a cycloparaphenylene fragment.","Organic letters","2015","17","11","2700","2703","10.1021/acs.orglett.5b01102","","","0.71073","","","0.0587","0.0404","","","0.068","0.0721","","","","","","0.973","","","","has coordinates","140287","2020-10-21","18:00:00",""
"1519696","6.1061","0.0002","18.8064","0.0005","27.8827","0.0007","90","","90","","90","","3201.88","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O -","- C13 H13 F O -","- C156 H156 F12 O12 -","12","3","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0484","0.0418","","","0.1078","0.1114","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1519697","8.013","0.003","5.1662","0.0018","10.972","0.004","90","","93.376","0.005","90","","453.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H10 Br F O -","- C9 H10 Br F O -","- C18 H20 Br2 F2 O2 -","2","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","0.71073","MoKα","","0.0207","0.0187","","","0.0456","0.0465","","","","","","1.044","","","","has coordinates","140290","2020-10-21","18:00:00",""
"1519698","5.5342","0.0002","11.1421","0.0004","14.6505","0.0006","90","","90","","90","","903.39","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O -","- C10 H13 F O -","- C40 H52 F4 O4 -","4","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0271","0.0258","","","0.067","0.0682","","","","","","1.056","","","","has coordinates","140290","2020-10-21","18:00:00",""
"1519699","11.5936","0.0006","11.9201","0.0007","12.1223","0.0006","63.593","0.005","88.025","0.004","67.331","0.005","1365.41","0.16","299.4","0.7","299.4","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cl8 Co5 N18 -","- C40 H46 Cl8 Co5 N18 -","- C40 H46 Cl8 Co5 N18 -","1","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.1097","0.0652","","","0.1246","0.1433","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519700","9.2529","0.0012","10.6355","0.0011","11.0493","0.0013","63.622","0.011","86.489","0.01","74.907","0.01","938.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H18 Co3 N8 O8.5 -","- C30.5 H18 Co3 N8 O8.5 -","- C30.5 H18 Co3 N8 O8.5 -","1","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0672","0.0596","","","0.1872","0.1933","","","","","","1.171","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519701","9.2567","0.001","15.269","0.004","10.2578","0.0003","90","","96.72","0.005","90","","1439.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Co N16 O2 -","- C28 H22 Co N16 O2 -","- C56 H44 Co2 N32 O4 -","2","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0501","0.0391","","","0.0895","0.0963","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519702","9.1787","0.001","15.2181","0.0011","10.3355","0.0008","90","","96.657","0.008","90","","1434","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N16 Ni O2 -","- C28 H22 N16 Ni O2 -","- C56 H44 N32 Ni2 O4 -","2","0.5","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0902","0.053","","","0.0903","0.1073","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519703","14.6978","0.0014","19.3933","0.0017","10.356","0.0009","90","","90","","90","","2951.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H8 Cu2 N8 O -","- C14 H8 Cu2 N8 O -","- C112 H64 Cu16 N64 O8 -","8","1","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.7107","MoKα","","0.0821","0.0538","","","0.1216","0.139","","","","","","1.033","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1519704","19.1314","0.0003","19.1314","0.0003","20.6667","0.0003","90","","90","","90","","7564.2","0.2","293","2","293","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C14 H16 Mn N8 O4 -","- C14 H16 Mn N8 O4 -","- C224 H256 Mn16 N128 O64 -","16","","","Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong","A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole)","RSC Advances","2015","5","60","48596","48606","10.1039/C5RA06273J","","","0.71073","MoKα","","0.0457","0.0397","","","0.1126","0.118","","","","","","1.079","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519705","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519706","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519707","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519708","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519709","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519710","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519711","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519712","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519713","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Comanescu, C. C.; Vyushkova, M.; Iluc, V. M.","Palladium carbene complexes as persistent radicals","Chem. Sci.","2015","6","8","4570","","10.1039/C5SC01441G","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519714","12.741","0.0012","16.6787","0.0016","20.596","0.002","102.918","0.002","90.565","0.002","106.517","0.002","4077.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H33 D6 N O5 -","- C56 H33 D6 N O5 -","- C224 H132 D24 N4 O20 -","4","2","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.1079","0.0504","","","0.0824","0.0971","","","","","","0.867","","","","has coordinates","143352","2020-10-21","18:00:00",""
"1519715","8.0214","0.0014","18.267","0.003","21.084","0.004","90","","90","","90","","3089.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 N O4 -","- C42 H29 N O4 -","- C168 H116 N4 O16 -","4","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0573","0.034","","","0.0364","0.0403","","","","","","0.804","","","","has coordinates","143352","2020-10-21","18:00:00",""
"1519716","9.7344","0.0015","12.477","0.002","16.268","0.003","91.644","0.003","99.097","0.003","94.093","0.003","1944.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 N O4 -","- C54 H36 N O4 -","- C108 H72 N2 O8 -","2","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0503","0.0419","","","0.1107","0.1157","","","","","","1.069","","","","has coordinates,has disorder","143352","2020-10-21","18:00:00",""
"1519717","13.1832","0.0015","16.891","0.002","20.072","0.003","67.256","0.007","76.552","0.008","73.916","0.008","3920.8","0.9","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H76 B F24 P Ru S Si2 -","- C78 H76 B F24 P Ru S Si2 -","- C156 H152 B2 F48 P2 Ru2 S2 Si4 -","2","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0607","","","","0.1722","","","","","","1.077","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519718","13.56","0.003","27.705","0.004","18.609","0.004","90","","102.006","0.003","90","","6838","2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 B F24 P Ru S Si -","- C66 H64 B F24 P Ru S Si -","- C264 H256 B4 F96 P4 Ru4 S4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0835","","","","0.2803","","","","","","1.045","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519719","16.929","0.003","18.161","0.003","16.113","0.003","90","","97.045","0.004","90","","4916.5","1.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B F24 O P Si -","- C46 H38 B F24 O P Si -","- C184 H152 B4 F96 O4 P4 Si4 -","4","1","","Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin","Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds","Chem. Sci.","2015","6","7","4324","","10.1039/C5SC01035G","","","0.71075","MoKα","","","0.0949","","","","0.3038","","","","","","1.096","","","","has coordinates","143360","2020-10-21","18:00:00",""
"1519720","16.2343","0.0006","15.9423","0.0006","20.8753","0.0008","90","","94.704","0.0014","90","","5384.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 I4 O P8 Pd4 -","- C104 H154 I4 O P8 Pd4 -","- C208 H308 I8 O2 P16 Pd8 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0314","0.0257","","","0.0662","0.0733","","","","","","1.113","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519721","12.5686","0.0012","13.9781","0.0013","14.9939","0.0014","90","","97.33","0.0018","90","","2612.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br P2 Pd -","- C25 H36 Br P2 Pd -","- C100 H144 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0375","0.0258","","","0.0542","0.0569","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519722","11.2438","0.0008","13.7677","0.001","17.4246","0.0012","90","","106.978","0.0012","90","","2579.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br P2 Pd -","- C25 H37 Br P2 Pd -","- C100 H148 Br4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0463","0.0348","","","0.0742","0.0776","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519723","11.6639","0.0011","13.5934","0.0013","16.568","0.0016","90","","105.116","0.0014","90","","2536","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl P2 Pd -","- C25 H36 Cl P2 Pd -","- C100 H144 Cl4 P8 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0298","0.024","","","0.0523","0.0541","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519724","10.3086","0.0007","24.0617","0.0016","12.5709","0.0008","90","","107.577","0.0018","90","","2972.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 P3 Pd -","- C29 H47 P3 Pd -","- C116 H188 P12 Pd4 -","4","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0257","0.022","","","0.0495","0.0512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519725","13.0569","0.0014","16.808","0.0014","31.261","0.003","90","","93.209","0.002","90","","6849.8","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C208 H320 Cl16 P16 Pd8 -","8","1","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0457","0.0372","","","0.0751","0.0779","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519726","11.2685","0.0008","20.7303","0.0014","23.1605","0.0016","90","","99.234","0.0013","90","","5340.2","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl P2 Pd -","- C26 H39 Cl P2 Pd -","- C208 H312 Cl8 P16 Pd8 -","8","2","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0557","0.0419","","","0.0827","0.0867","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519727","29.176","0.006","12.515","0.002","22.247","0.004","90","","105.315","0.004","90","","7835","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 I P2 Pd -","- C25 H37 I P2 Pd -","- C300 H444 I12 P24 Pd12 -","12","1.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0519","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519728","10.3876","0.0009","16.2993","0.0014","17.0895","0.0015","90","","103.477","0.0014","90","","2813.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 Br4 Cl2 P4 Pd2 -","- C51 H78 Br4 Cl2 P4 Pd2 -","- C102 H156 Br8 Cl4 P8 Pd4 -","2","0.5","","Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung","Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction","Chem. Sci.","2015","6","8","4698","","10.1039/C5SC01225B","","","0.71073","MoKα","","0.0239","0.0185","","","0.0423","0.0435","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519755","7.4665","0.0008","21.583","0.002","8.4033","0.0009","90","","107.586","0.002","90","","1290.9","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zhang, Xuxue; Dai, Wenpeng; Wu, Wei; Cao, Song","Copper-Catalyzed Coupling Cyclization of gem-Difluoroalkenes with Activated Methylene Carbonyl Compounds: Facile Domino Access to Polysubstituted Furans.","Organic letters","2015","17","11","2708","2711","10.1021/acs.orglett.5b01123","","","0.71073","MoKα","","0.0567","0.0458","","","0.1222","0.1308","","","","","","1.022","","","","has coordinates","141407","2020-10-21","18:00:00",""
"1519756","7.3312","0.0004","12.6193","0.0006","14.4778","0.0008","90","","98.847","0.005","90","","1323.47","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C60 H84 O10 -","2","1","","Zhao, Qian-Qian; Song, Qiu-Yan; Jiang, Kan; Li, Guang-Da; Wei, Wen-Jun; Li, Ya; Gao, Kun","Spirochensilides A and B, Two New Rearranged Triterpenoids from Abies chensiensis.","Organic letters","2015","17","11","2760","2763","10.1021/acs.orglett.5b01166","","","1.54184","CuKα","","0.0838","0.0629","","","0.1423","0.1788","","","","","","1.124","","","","has coordinates","152911","2020-10-21","18:00:00",""
"1519757","12.6226","0.0008","12.3709","0.0009","14.1124","0.001","90","","90","","90","","2203.7","0.3","298.2","0.1","298.2","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br Cl2 N2 O -","- C10 H7 Br Cl2 N2 O -","- C80 H56 Br8 Cl16 N16 O8 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.07","0.0412","","","0.1007","0.1141","","","","","","1.03","","","","has coordinates","154781","2020-10-21","18:00:00",""
"1519758","7.3945","0.0009","20.124","0.003","17.43","0.002","90","","91.44","0.012","90","","2592.9","0.6","293","0.2","293","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 N2 O -","- C12 H12 Br2.025 N2 O -","- C96 H96 Br16.2 N16 O8 -","8","2","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.204","0.0595","","","0.105","0.1559","","","","","","0.822","","","","has coordinates,has disorder","154781","2020-10-21","18:00:00",""
"1519759","14.9133","0.0011","10.5056","0.0007","7.3297","0.0008","90","","103.561","0.009","90","","1116.35","0.17","299.5","0.4","299.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N2 -","- C11 H10 Br2 N2 -","- C44 H40 Br8 N8 -","4","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.0889","0.0511","","","0.1127","0.13","","","","","","1.023","","","","has coordinates","154781","2020-10-21","18:00:00",""
"1519760","7.501","0.0007","40.025","0.005","16.7795","0.0017","90","","94.664","0.009","90","","5021","0.9","293","0.2","293","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F3 N2 O1.5 -","- C11 H7 Cl2 F3 N2 O1.5 -","- C176 H112 Cl32 F48 N32 O24 -","16","4","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.3006","0.1284","","","0.3051","0.4112","","","","","","1.012","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519761","14.443","0.002","7.5861","0.0012","21.306","0.003","90","","90","","90","","2334.4","0.6","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br2 F N2 -","- C11 H9 Br2 F N2 -","- C88 H72 Br16 F8 N16 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.2105","0.0649","","","0.1359","0.1945","","","","","","0.993","","","","has coordinates,has disorder","154781","2020-10-21","18:00:00",""
"1519762","9.394","0.0005","10.5702","0.0006","19.7348","0.0008","90","","90","","90","","1959.6","0.17","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N O P Pd -","- C19 H16 Cl2 N O P Pd -","- C76 H64 Cl8 N4 O4 P4 Pd4 -","4","1","","Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio","Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes","Catal. Sci. Technol.","2015","","","","","10.1039/C5CY00413F","","","1.54184","CuKα","","0.0467","0.0407","","","0.092","0.0953","","","","","","1.068","","","","has coordinates","137018","2020-10-21","18:00:00",""
"1519763","10.2329","0.0006","21.5082","0.0012","31.0365","0.0018","90","","90","","90","","6830.9","0.7","123.8","","123.8","","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C38 H32 Cl2 N2 O2 P2 Pd -","- C38 H32 Cl2 N2 O2 P2 Pd -","- C304 H256 Cl16 N16 O16 P16 Pd8 -","8","0.5","","Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio","Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes","Catal. Sci. Technol.","2015","","","","","10.1039/C5CY00413F","","","0.71073","MoKα","","0.0243","0.022","","","0.0492","0.0503","","","","","","1.052","","","","has coordinates","137018","2020-10-21","18:00:00",""
"1519764","10.7542","0.0004","11.2346","0.0006","13.4066","0.0006","90","","90","","90","","1619.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng","Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)‒H bonds of aliphatic amine substrates","Chem. Sci.","2015","6","8","4610","","10.1039/C5SC00519A","","","0.71073","MoKα","","0.0536","0.0407","","","0.0827","0.0885","","","","","","1.015","","","","has coordinates","153083","2020-10-21","18:00:00",""
"1519847","16.8512","0.001","11.1738","0.0008","11.0083","0.0008","90","","104.138","0.003","90","","2010","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethylcyclohexylammonium bicarbonate","","","- C9 H19 N O3 -","- C9 H19 N O3 -","- C72 H152 N8 O24 -","8","2","","McNally, Joshua S.; Noll, Bruce; Orme, Christopher J.; Wilson, Aaron D.","Density Functional Theory Analysis of the Impact of Steric Interaction on the Function of Switchable Polarity Solvents.","The journal of physical chemistry. B","2015","119","22","6766","","10.1021/acs.jpcb.5b03167","","","0.71073","MoKα","","0.0563","0.0386","","","0.0864","0.0944","","","","","","1.017","","","","has coordinates","138292","2020-10-21","18:00:00",""
"1519848","8.8887","0.0009","18.4179","0.0018","6.9957","0.0007","90","","115.638","0.002","90","","1032.52","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hassan, Ahmed H. E.; Lee, Jae Kyun; Pae, Ae Nim; Min, Sun-Joon; Cho, Yong Seo","Synthesis of the Tricyclic Ring Structure of Daphnanes via Intramolecular [4 + 3] Cycloaddition/SmI2-Pinacol Coupling.","Organic letters","2015","17","11","2672","2675","10.1021/acs.orglett.5b01054","","","0.71075","MoKα","","","0.0612","","","","0.2168","","","","","","1.128","","","","has coordinates","140288","2020-10-21","18:00:00",""
"1519849","10.7308","0.001","8.7467","0.0007","12.089","0.0014","90","","109.485","0.003","90","","1069.68","0.18","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hassan, Ahmed H. E.; Lee, Jae Kyun; Pae, Ae Nim; Min, Sun-Joon; Cho, Yong Seo","Synthesis of the Tricyclic Ring Structure of Daphnanes via Intramolecular [4 + 3] Cycloaddition/SmI2-Pinacol Coupling.","Organic letters","2015","17","11","2672","2675","10.1021/acs.orglett.5b01054","","","0.71075","MoKα","","","0.0425","","","","0.1277","","","","","","1.052","","","","has coordinates","140288","2020-10-21","18:00:00",""
"1519850","5.7399","0.0011","15.532","0.003","20.365","0.004","90","","96.93","0.011","90","","1802.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Dhanasekaran, Sivasankaran; Kayet, Anirban; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Unified Approach to Isoindolinones and THIQs via Lewis Acid Catalyzed Domino Mukaiyama-Mannich Lactamization/Alkylations: Application in the Synthesis of (±)-Homolaudanosine.","Organic letters","2015","17","11","2780","2783","10.1021/acs.orglett.5b01197","","","0.71073","MoKα","","0.0939","0.0487","","","0.1384","0.1582","","","","","","0.991","","","","has coordinates","152910","2020-10-21","18:00:00",""
"1519851","4.8624","0.0019","11.167","0.004","23.437","0.009","90","","94.33","0.006","90","","1269","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Li, Deng-Kui; Wu, An-Xin","Consecutive Cycloaddition/SNAr/Reduction/Cyclization/Oxidation Sequences: A Copper-Catalyzed Multicomponent Synthesis of Fused N-Heterocycles.","Organic letters","2015","17","11","2820","2823","10.1021/acs.orglett.5b01242","","","0.71073","MoKα","","0.0783","0.0631","","","0.1712","0.1812","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519852","10.701","0.0002","27.6694","0.0005","11.1215","0.0003","90","","98.764","0.001","90","","3254.52","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3',6,6'-Tetra-tert-butyl-1,1',9,9'-bicarbazole","","- C40 H46 N2 -","- C40 H46 N2 -","- C160 H184 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.051","0.0413","","","0.108","0.1137","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519853","15.047","0.003","24.399","0.005","13.754","0.003","90","","108.9","0.03","90","","4777.3","1.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H51 I6 N2 -","- C46 H51 I6 N2 -","- C184 H204 I24 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.0544","0.035","","","0.0754","0.0824","","","","","","1.029","","","","has coordinates,has disorder","143350","2020-10-21","18:00:00",""
"1519854","13.312","0.003","18.813","0.004","15.401","0.004","90","","97.762","0.005","90","","3821.7","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetrabutyl-tetrahydro-tetramethylbiacridine","","- C46 H58 N2 -","- C46 H58 N2 -","- C184 H232 N8 -","4","1","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71073","MoKα","","0.1403","0.0893","","","0.2123","0.2496","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519855","30.6695","0.0011","12.1512","0.0005","23.0584","0.0009","90","","119.572","0.0009","90","","7473.9","0.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tetracarbazole","","- C86 H108 N4 -","- C80 H94 N4 -","- C320 H376 N16 -","4","0.5","","Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei","Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives","Chem. Sci.","2015","6","7","4160","","10.1039/C5SC00946D","","","0.71075","MoKα","","0.1039","0.0756","","","0.2126","0.2301","","","","","","1.425","","","","has coordinates","143350","2020-10-21","18:00:00",""
"1519923","6.1791","0.0002","23.0423","0.0006","6.9392","0.0002","90","","110.037","0.001","90","","928.21","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C42 H68 O6 -","2","1","","Hosseini, Abolfazl; Seidel, Daniel; Miska, Andreas; Schreiner, Peter R.","Fluoride-assisted activation of calcium carbide: a simple method for the ethynylation of aldehydes and ketones.","Organic letters","2015","17","11","2808","2811","10.1021/acs.orglett.5b01219","","","1.54178","CuKα","","0.0283","0.0279","","","0.0746","0.0747","","","","","","1.125","","","","has coordinates","140289","2020-10-21","18:00:00",""
"1519924","10.9392","0.0004","8.3314","0.0003","22.5089","0.0008","90","","102.759","0.003","90","","2000.78","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C100 H84 Fe4 N12 -","4","1","","Wei, Fang; Li, Haoyu; Song, Chuanling; Ma, Yudao; Zhou, Ling; Tung, Chen-Ho; Xu, Zhenghu","Cu/Pd-Catalyzed, Three-Component Click Reaction of Azide, Alkyne, and Aryl Halide: One-Pot Strategy toward Trisubstituted Triazoles.","Organic letters","2015","17","11","2860","2863","10.1021/acs.orglett.5b01342","","","1.54178","CuKα","","0.0433","0.0361","","","0.0981","0.1034","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519925","24.5063","0.0004","24.5063","0.0004","24.5063","0.0004","90","","90","","90","","14717.5","0.4","99","2","99","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C80 H56 Co7 F18 N16 O18 Si -","- C80.04 H56.04 Co7 F18 N15.96 O18 Si -","- C320.16 H224.16 Co28 F72 N63.84 O72 Si4 -","4","0.166667","","Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J.","Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster","Chem. Sci.","2015","6","8","4784","","10.1039/C5SC01515D","","","1.54178","CuKα","","0.1276","0.099","","","0.2948","0.3245","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519926","10.6748","0.0004","11.9906","0.0005","19.6875","0.0008","101.316","0.002","101.953","0.0017","103.763","0.0017","2313.24","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0434","0.0348","","","0.0871","0.0921","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519927","10.7956","0.0011","12.0991","0.0013","19.834","0.002","102.162","0.006","101.446","0.005","104.036","0.005","2370.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C108 H124 Co2 N4 O8 -","2","1","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0765","0.0422","","","0.1102","0.1315","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519928","9.8997","0.0009","10.812","0.001","12.1278","0.0011","104.002","0.005","102.27","0.005","101.408","0.005","1187.5","0.2","305","2","305","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","- C54 H62 Co N2 O4 -","1","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0518","0.0354","","","0.0825","0.0917","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519929","16.5308","0.0006","11.7257","0.0004","18.9821","0.0007","90","","107.445","0.002","90","","3510.2","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H94 Co N2 O4 -","- C82 H94 Co N2 O4 -","- C164 H188 Co2 N4 O8 -","2","0.5","","Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.","Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism","Chem. Sci.","2015","6","8","4599","","10.1039/C5SC00130G","","","0.71073","MoKα","","0.0473","0.0394","","","0.0939","0.0998","","","","","","1.112","","","","has coordinates,has disorder","153080","2020-10-21","18:00:00",""
"1519930","10.9013","0.0002","12.0601","0.0002","25.222","0.0005","90","","90","","90","","3315.96","0.11","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","RSnH3","","","- C18 H26 Sn0.5 -","- C18 H26 Sn0.5 -","- C144 H208 Sn4 -","8","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.026","0.0208","","","0.0557","0.0584","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519931","12.7122","0.0005","15.3521","0.0006","22.5773","0.0009","84.881","0.002","89.932","0.002","82.556","0.002","4351.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H134 N2 Sn2 -","- C89 H134 N2 Sn2 -","- C178 H268 N4 Sn4 -","2","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0672","0.0469","","","0.1159","0.1257","","","","","","1.051","","","","has coordinates,has disorder","153088","2020-10-21","18:00:00",""
"1519932","15.9849","0.0004","15.9056","0.0004","17.7408","0.0004","90","","100.754","0.001","90","","4431.37","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripTpSnCpMe5","","","- C48.5 H70 Sn -","- C48.5 H70 Sn -","- C194 H280 Sn4 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars","A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination","Chem. Sci.","2015","6","8","4737","","10.1039/C5SC01561H","","","0.71073","MoKα","","0.0448","0.0303","","","0.0705","0.0767","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519944","29.3901","0.0007","13.5696","0.0004","21.1866","0.0006","90","","105.652","0.003","90","","8136.1","0.4","180.1","0.5","180.1","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 Cl2 F12 N2 O6 -","- C35 H36 Cl2 F12 N2 O6 -","- C280 H288 Cl16 F96 N16 O48 -","8","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.5418","CuKα","","0.0968","0.0848","","","0.2596","0.2851","","","","","","1.092","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519945","10.4318","0.00015","18.5656","0.0003","17.6555","0.0003","90","","90.817","0.0013","90","","3419.04","0.09","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N4 O9 -","- C33 H42 N4 O9 -","- C132 H168 N16 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.0426","0.0377","","","0.1295","0.137","","","","","","1.106","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519946","11.9175","0.0004","19.021","0.0005","17.226","0.0006","90","","108.787","0.004","90","","3696.8","0.2","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F12 N2 O9 -","- C32 H32 F12 N2 O9 -","- C128 H128 F48 N8 O36 -","4","1","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","0.7107","MoKα","","0.0679","0.0505","","","0.1211","0.133","","","","","","1.022","","","","has coordinates,has disorder","153070","2020-10-21","18:00:00",""
"1519947","9.5715","0.0003","18.5858","0.0004","23.8686","0.0008","67.485","0.003","81.597","0.003","88.411","0.002","3878.5","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O4 -","- C45 H38 Cl2 N4 O4 -","- C180 H152 Cl8 N16 O16 -","4","2","","Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme","Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions","Chem. Sci.","2015","6","8","4923","","10.1039/C5SC01118C","","","1.54184","CuKα","","0.071","0.054","","","0.1355","0.1496","","","","","","1.011","","","","has coordinates","153070","2020-10-21","18:00:00",""
"1519998","7.0685","0.0016","15.143","0.003","17.388","0.004","90","","90","","90","","1861.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N0 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0455","0.0395","","","0.0925","0.0961","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519999","9.4777","0.0006","7.3392","0.0003","13.4089","0.0006","90","","91.432","0.005","90","","932.41","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0595","0.044","","","0.0866","0.0961","","","","","","1.052","","","","has coordinates","141408","2020-10-21","18:00:00",""
"1520000","13.2416","0.0008","13.1779","0.0008","15.2428","0.0008","90","","109.387","0.002","90","","2509","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,14<i>SR</i>)-3,13-dioxo-7-methoxymethoxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-ene-10-yl benzoate","","- C29 H36 O8 -","- C29 H36 O8 -","- C116 H144 O32 -","4","1","","Fukaya, Keisuke; Kodama, Keisuke; Tanaka, Yuta; Yamazaki, Hirohisa; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 2. Construction of the ABCD Ring and Formal Synthesis.","Organic letters","2015","17","11","2574","2577","10.1021/acs.orglett.5b01174","","","0.71073","MoKα","","0.0832","0.0439","","","0.0884","0.105","","","","","","0.962","","","","has coordinates","140280","2020-10-21","18:00:00",""
"1520001","14.376","0.0006","14.699","0.0006","21.34","0.0008","90","","107.79","0.001","90","","4293.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Co N2 P3 -","- C54 H46 Co N2 P3 -","- C216 H184 Co4 N8 P12 -","4","1","","Scheuermann, Margaret L.; Johnson, Elizabeth J.; Chirik, Paul J.","Alkene isomerization-hydroboration promoted by phosphine-ligated cobalt catalysts.","Organic letters","2015","17","11","2716","2719","10.1021/acs.orglett.5b01135","","","1.54178","CuKα","","0.0269","0.0266","","","0.0696","0.0698","","","","","","1.042","","","","has coordinates","140282","2020-10-21","18:00:00",""
"1520002","9.3612","0.0006","19.6336","0.0015","14.1965","0.0009","90","","101.762","0.002","90","","2554.4","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>,14<i>SR</i>)-13-hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-ene-10-yl benzoate","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.0733","0.0428","","","0.0978","0.1111","","","","","","1.02","","","","has coordinates","140286","2020-10-21","18:00:00",""
"1520003","9.6397","0.0006","13.6008","0.0008","15.0461","0.001","83.6966","0.0019","77.488","0.002","77.9768","0.0018","1879.2","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(4<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-4-[(1<i>RS</i>,2<i>RS</i>,3<i>RS</i>,6<i>RS</i>)-3-Benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate","","- C42 H50 O10 -","- C42 H50 O10 -","- C84 H100 O20 -","2","1","IS5382","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.059","0.0419","","","0.1224","0.1506","","","","","","0.932","","","","has coordinates","140286","2020-10-21","18:00:00",""
"1520004","11.3343","0.0005","15.4666","0.0007","16.487","0.0008","85.1124","0.0014","78.3773","0.0014","78.5231","0.0015","2771.3","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-Hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate","","- C30.25 H41 O8 -","- C30.25 H41 O8 -","- C121 H164 O32 -","4","2","","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.0636","0.04","","","0.0869","0.0989","","","","","","1.023","","","","has coordinates,has disorder","140286","2020-10-21","18:00:00",""
"1520005","8.5353","0.0012","10.6984","0.0015","15.609","0.002","90","","104.429","0.002","90","","1380.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Zhou, Wei; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Hydroxyalkylation-initiated radical cyclization of N-allylbenzamide for direct construction of isoquinolinone.","Organic letters","2015","17","11","2724","2727","10.1021/acs.orglett.5b01140","","","0.71073","MoKα","","0.0675","0.0464","","","0.1233","0.1379","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520006","4.0685","0.0007","4.0685","0.0007","31.029","0.005","90","","90","","120","","444.8","0.13","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi9 O7.5 S6 -","- Bi9 O7.5 S6 -","- Bi9 O7.5 S6 -","1","0.0277778","","Meng, Sha; Zhang, Xian; Zhang, Ganghua; Wang, Yaoming; Zhang, Hui; Huang, Fuqiang","Synthesis, Crystal Structure, and Photoelectric Properties of a New Layered Bismuth Oxysulfide.","Inorganic chemistry","2015","54","12","5768","5773","10.1021/acs.inorgchem.5b00436","","","0.71073","MoKα","","0.0233","0.022","","","0.0526","0.0537","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520007","13.447","0.0004","22.2429","0.0006","14.1737","0.0004","90","","103.936","0.003","90","","4114.6","0.2","100.3","0.6","100.3","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H132 Cu2 Gd2 N2 O26 -","- C62 H132 Cu2 Gd2 N2 O26 -","- C124 H264 Cu4 Gd4 N4 O52 -","2","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.04","0.0347","","","0.0859","0.0901","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520008","11.1732","0.0004","13.2788","0.0004","15.503","0.0006","102.315","0.003","97.228","0.003","110.072","0.003","2060.47","0.14","102","1","102","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H122 Cu2 Dy2 N4 O22 -","- C64 H122 Cu2 Dy2 N4 O22 -","- C64 H122 Cu2 Dy2 N4 O22 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0336","0.0297","","","0.0683","0.0706","","","","","","1.043","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520009","11.3913","0.0004","13.3809","0.0005","15.4188","0.0005","103.07","0.003","98.378","0.003","109.653","0.003","2092.03","0.14","104.2","0.2","104.2","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H124 Co2 Dy2 N4 O22 -","- C64 H124 Co2 Dy2 N4 O22 -","- C64 H124 Co2 Dy2 N4 O22 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0358","0.0315","","","0.0716","0.0752","","","","","","1.071","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520010","15.7469","0.0004","13.0245","0.0002","21.9609","0.0005","90","","110.893","0.003","90","","4207.93","0.18","101","0.3","101","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H122 Co2 Gd2 N3 O22 -","- C64 H122 Co2 Gd2 N3 O22 -","- C128 H244 Co4 Gd4 N6 O44 -","2","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.043","0.0345","","","0.0888","0.0947","","","","","","1.06","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520011","15.4531","0.0003","19.5753","0.0004","14.0907","0.0003","90","","109.082","0.002","90","","4028.21","0.15","150.1","0.2","150.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H120 Dy2 Mg2 N2 O22 -","- C62 H120 Dy2 Mg2 N2 O22 -","- C124 H240 Dy4 Mg4 N4 O44 -","2","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0457","0.0385","","","0.0825","0.086","","","","","","1.093","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520012","15.7351","0.0008","13.1771","0.0006","21.9189","0.0011","90","","109.951","0.006","90","","4272","0.4","150.1","0.1","150.1","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H125 Gd2 Mg2 N3 O22 -","- C64 H125 Gd2 Mg2 N3 O22 -","- C128 H250 Gd4 Mg4 N6 O44 -","2","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.066","0.0502","","","0.1194","0.1326","","","","","","1.053","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520013","12.9581","0.0007","14.1259","0.0006","14.2362","0.0006","98.689","0.004","107.817","0.004","116.987","0.005","2077.6","0.2","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H122 Er2 Mg2 N2 O22 -","- C62 H122 Er2 Mg2 N2 O22 -","- C62 H122 Er2 Mg2 N2 O22 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0571","0.0473","","","0.1041","0.1113","","","","","","1.077","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520014","20.8134","0.0009","21.3724","0.0008","18.3457","0.0006","90","","101.401","0.003","90","","7999.7","0.5","180.1","0.2","180.1","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H122 N2 Ni2 O22 Y2 -","- C62 H122 N2 Ni2 O22 Y2 -","- C248 H488 N8 Ni8 O88 Y8 -","4","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0538","0.0337","","","0.0684","0.0758","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520015","20.7791","0.0003","21.3052","0.0002","18.3054","0.0002","90","","101.596","0.0012","90","","7938.45","0.17","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H122 Er2 N2 Ni2 O22 -","- C62 H122 Er2 N2 Ni2 O22 -","- C248 H488 Er8 N8 Ni8 O88 -","4","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0331","0.0249","","","0.0504","0.0537","","","","","","1.03","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520016","20.6807","0.0004","21.2712","0.0004","18.2888","0.0003","90","","101.566","0.0018","90","","7881.9","0.3","106","1","106","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H122 Dy2 N2 Ni2 O22 -","- C62 H122 Dy2 N2 Ni2 O22 -","- C248 H488 Dy8 N8 Ni8 O88 -","4","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0239","0.0215","","","0.0519","0.0529","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520017","15.9042","0.0005","12.969","0.0003","21.7691","0.0006","90","","111.352","0.003","90","","4181.9","0.2","100.3","0.1","100.3","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H128 Gd2 N4 Ni2 O22 -","- C66 H128 Gd2 N4 Ni2 O22 -","- C132 H256 Gd4 N8 Ni4 O44 -","2","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0377","0.0321","","","0.0757","0.0795","","","","","","1.031","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520018","13.1987","0.0007","13.575","0.0008","14.1952","0.0007","71.486","0.005","64.349","0.005","81.392","0.004","2173.9","0.2","156","1","156","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H120 Mn2 N5 O22 Y2 -","- C68 H120 Mn2 N5 O22 Y2 -","- C68 H120 Mn2 N5 O22 Y2 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","x-ray","0.71073","MoKα","","0.0621","0.0434","","","0.1057","0.1162","","","","","","1.028","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520019","13.2219","0.0002","13.5495","0.0003","14.156","0.0002","71.5364","0.0015","64.2521","0.0015","81.4352","0.0015","2166.48","0.07","106","1","106","1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H122 Dy2 Mn2 N5 O22 -","- C68 H122 Dy2 Mn2 N5 O22 -","- C68 H122 Dy2 Mn2 N5 O22 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.0276","0.026","","","0.0693","0.0704","","","","","","1.049","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520020","12.9744","0.0011","13.147","0.0009","13.1693","0.0011","86.455","0.006","77.91","0.007","66.666","0.007","2016.3","0.3","150.1","0.2","150.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H123.33 Gd2 Mn2 N2 O22.67 -","- C62 H123.333 Gd2 Mn2 N2 O22.6666 -","- C62 H123.333 Gd2 Mn2 N2 O22.6666 -","1","0.5","","Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.","Systematic Study of a Family of Butterfly-Like {M <sub>2</sub> Ln <sub>2</sub> } Molecular Magnets (M = Mg <sup>II</sup> , Mn <sup>III</sup> , Co <sup>II</sup> , Ni <sup>II</sup> , and Cu <sup>II</sup> ; Ln = Y <sup>III</sup> , Gd <sup>III</sup> , Tb <sup>III</sup> , Dy <sup>III</sup> , Ho <sup>III</sup> , and Er <sup>III</sup> )","Inorganic Chemistry","2015","54","12","5930","5941","10.1021/acs.inorgchem.5b00746","","","0.71073","MoKα","","0.1581","0.0813","","","0.1172","0.1423","","","","","","1.024","","","","has coordinates,has disorder","282777","2023-04-20","11:56:43",""
"1520021","8.3007","0.0007","17.9066","0.0014","19.9819","0.0016","90","","98.904","0.0015","90","","2934.3","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cu F6 N2 O2 -","- C30 H34 Cu F6 N2 O2 -","- C120 H136 Cu4 F24 N8 O8 -","4","1","","Chiang, Linus; Herasymchuk, Khrystyna; Thomas, Fabrice; Storr, Tim","Influence of Electron-Withdrawing Substituents on the Electronic Structure of Oxidized Ni and Cu Salen Complexes.","Inorganic chemistry","2015","54","12","5970","5980","10.1021/acs.inorgchem.5b00783","","","0.71073","MoKα","","0.0376","0.0317","","","0.0843","0.0894","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520022","5.8119","0.0015","10.51","0.003","18.411","0.005","90","","90","","90","","1124.6","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Sai, Masahiro; Yamamoto, Hisashi","Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions.","Journal of the American Chemical Society","2015","137","22","7091","7094","10.1021/jacs.5b04168","","","0.71075","MoKα","","","0.0613","","","","0.1186","","","","","","1.036","","","","has coordinates","140108","2020-10-21","18:00:00",""
"1520023","9.553","0.003","13.221","0.004","20.742","0.006","101.583","0.005","90.792","0.006","97.863","0.005","2539.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PtMePh(TXPB')]","[PtMePh(TXPB')]","","- C58 H75 B P Pt S -","- C58 H75 B P Pt S -","- C116 H150 B2 P2 Pt2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron","Organometallics","2015","34","12","2737","","10.1021/om501269x","","","0.71073","MoKα","","0.0438","0.0381","","","0.1067","0.1115","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520024","13.306","0.003","14.095","0.003","14.176","0.003","97.362","0.004","105.671","0.004","107.033","0.003","2384.7","0.9","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","PtPh2(TXPB'')","PtPh2(TXPB'')","","- C53 H63 B Cl2 P Pt S -","- C53 H63 B Cl2 P Pt S -","- C106 H126 B2 Cl4 P2 Pt2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron","Organometallics","2015","34","12","2737","","10.1021/om501269x","","x-ray","0.71073","MoKα","","0.0905","0.0521","","","0.1142","0.1442","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520025","9.592","0.0007","12.7606","0.0009","26.7696","0.0019","97.074","0.001","93.659","0.001","102.019","0.001","3166.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","PtMePh{P(OPh)3}(TXPB')","[PtMePh{P(OPh)3}(TXPB')]","","- C70 H75 B Cl3 O3 P2 Pt S -","- C70 H75 B Cl3 O3 P2 Pt S -","- C140 H150 B2 Cl6 O6 P4 Pt2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron","Organometallics","2015","34","12","2737","","10.1021/om501269x","","","0.71073","MoKα","","0.0339","0.0299","","","0.0665","0.0688","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520026","13.4975","0.0014","13.6666","0.0014","19.036","0.002","93.409","0.002","105.034","0.002","95.788","0.002","3360.6","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[PtMe(CNXyl)2(TXPB-Me)]","[PtMe(CNXyl)2(TXPB-Me)]","","- C69.6 H77.2 B Cl5.2 N2 P Pt S -","- C69.604 H77.208 B Cl5.208 N2 P Pt S -","- C139.208 H154.416 B2 Cl10.416 N4 P2 Pt2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron","Organometallics","2015","34","12","2737","","10.1021/om501269x","","","0.71073","MoKα","","0.1076","0.0556","","","0.1146","0.1398","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520027","8.7533","0.0003","19.4098","0.0011","13.9131","0.0004","90","","90.472","0.003","90","","2363.75","0.17","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Ir1.04 N3 O3 -","- C27 H30 Ir1.0418 N3 O3 -","- C108 H120 Ir4.1672 N12 O12 -","4","1","","Ruddlesden, Amy J.; Mewis, Ryan E.; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.","Catalytic Transfer of Magnetism Using a Neutral Iridium Phenoxide Complex","Organometallics","2015","34","12","2997","","10.1021/acs.organomet.5b00311","","x-ray","0.71073","MoKα","","0.0415","0.0345","","","0.0675","0.0701","","","","","","1.143","","","","has coordinates,has disorder","140205","2020-10-21","18:00:00",""
"1520028","16.189","0.002","4.6448","0.0007","9.8821","0.0017","90","","92.866","0.005","90","","742.15","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.066","0.0524","","","0.1469","0.1579","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520029","5.0263","0.0006","10.9683","0.0015","13.3113","0.0014","90","","93.465","0.003","90","","732.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0227","0.0197","","","0.0499","0.0512","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520030","9.3024","0.001","8.3301","0.0011","21.227","0.002","90","","94.1","0.005","90","","1640.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.1347","0.0647","","","0.1531","0.1887","","","","","","0.976","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520031","12.3869","0.0006","7.756","0.0004","16.0899","0.0008","90","","95.514","0.003","90","","1538.65","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0888","0.061","","","0.1588","0.171","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520032","7.874","0.0008","7.9775","0.0008","12.3173","0.0011","90","","92.715","0.002","90","","772.84","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0414","0.0402","","","0.1091","0.1111","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520033","7.9622","0.0004","12.3209","0.0007","21.0198","0.0011","90","","90","","90","","2062.07","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.05","0.0407","","","0.1006","0.1058","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520034","4.92","0.0007","5.3316","0.0008","27.538","0.005","90","","93.562","0.006","90","","721","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.0439","0.0387","","","0.1026","0.1057","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520035","14.2177","0.0003","22.9278","0.0005","14.5428","0.0004","90","","105.118","0.002","90","","4576.6","0.19","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C38 H34 Cl6 Cr Fe Mn N6 O14 -","- C152 H136 Cl24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0629","0.0441","","","0.106","0.1197","","","","","","1.062","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520036","14.1914","0.0005","23.0061","0.0007","14.788","0.0005","90","","104.703","0.003","90","","4670","0.3","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C38 H34 Br6 Cr Fe Mn N6 O14 -","- C152 H136 Br24 Cr4 Fe4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0798","0.0616","","","0.1635","0.1765","","","","","","1.082","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520037","14.1613","0.0004","23.0839","0.0006","14.8676","0.0005","90","","104.296","0.003","90","","4709.7","0.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C38 H34 Br6 Cr Ga Mn N6 O14 -","- C152 H136 Br24 Cr4 Ga4 Mn4 N24 O56 -","4","0.5","","Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio","Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules","Chem. Sci.","2015","6","8","4665","","10.1039/C5SC00957J","","","0.71073","MoKα","","0.0966","0.0543","","","0.1201","0.1394","","","","","","1.003","","","","has coordinates","153079","2020-10-21","18:00:00",""
"1520038","9.7172","0.0019","11.762","0.002","19.84","0.004","90","","99.84","0.03","90","","2234.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.0831","0.0475","","","0.119","0.1482","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520039","9.591","0.0015","14.916","0.002","15.744","0.003","90","","91.79","0.002","90","","2251.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1181","0.0691","","","0.1944","0.2363","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520040","10.6774","0.0005","10.7451","0.0007","12.3472","0.0007","107.453","0.006","103.856","0.005","103.585","0.005","1238.02","0.15","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C52 H44 Br4 N4 O8 -","2","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","x-ray","1.5418","CuKα","","0.0597","0.0539","","","0.1513","0.1591","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520041","12.571","0.003","13.241","0.003","15.845","0.003","87.14","0.03","76.74","0.03","74.96","0.03","2479.1","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C104 H88 Br8 N8 O16 -","4","2","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1918","0.1112","","","0.2164","0.2485","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520042","11.755","0.003","20.78","0.005","21.031","0.005","90","","90","","90","","5137","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C208 H176 Br16 N16 O32 -","8","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1609","0.0552","","","0.1063","0.1446","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520043","13.5422","0.0013","19.675","0.0019","10.2805","0.001","90","","100.796","0.003","90","","2690.7","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 190","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0359","0.0236","","","0.0491","0.0529","","","","","","1.015","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520044","14.5095","0.0015","20.268","0.002","9.5541","0.001","90","","97.192","0.005","90","","2787.6","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diBr res 290","4-pyridylazophenyl 4,6-dibromo-1,3-benzenediol","","- C28 H22 Br2 N6 O2 -","- C28 H22 Br2 N6 O2 -","- C112 H88 Br8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0369","","","0.0742","0.0893","","","","","","0.991","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520045","15.6181","0.0016","15.7722","0.0016","10.6301","0.0011","90","","95.137","0.005","90","","2608","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 170","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0649","0.0423","","","0.0967","0.108","","","","","","1.033","","","","has coordinates","171452","2020-10-21","18:00:00",""
"1520046","15.6347","0.0016","15.989","0.0016","10.646","0.0011","90","","95.252","0.005","90","","2650.1","0.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 250","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0956","0.0511","","","0.1063","0.1232","","","","","","1.071","","","","has coordinates","171452","2020-10-21","18:00:00",""
"1520047","14.4187","0.0014","19.4064","0.0019","9.7692","0.0009","90","","95.552","0.005","90","","2720.7","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 270","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0779","0.0404","","","0.0921","0.1152","","","","","","1.032","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520048","14.4","0.006","19.51","0.008","9.757","0.004","90","","95.784","0.015","90","","2727.2","1.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4PAzP.4,6-diCl res 290","4-pyridylazophenyl 4,6-dichloro-1,3-benzenediol","","- C28 H22 Cl2 N6 O2 -","- C28 H22 Cl2 N6 O2 -","- C112 H88 Cl8 N24 O8 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.094","0.0446","","","0.1128","0.1384","","","","","","1.009","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520049","8.982","0.0009","12.5271","0.0013","26.146","0.003","84.5","0.005","89.331","0.005","74.563","0.005","2822.4","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 190","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0405","0.0293","","","0.0551","0.0597","","","","","","1.119","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520050","9.048","0.0009","12.5933","0.0013","26.305","0.003","83.815","0.005","89.271","0.005","75.005","0.005","2878","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","4PAzP.4,6-diI res 290","4-pyridylazophenyl 4,6-diiodo-1,3-benzenediol","","- C28 H22 I2 N6 O2 -","- C28 H22 I2 N6 O2 -","- C112 H88 I8 N24 O8 -","4","2","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71073","MoKα","","0.0703","0.0324","","","0.0684","0.0812","","","","","","1.011","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520051","5.9077","0.0007","7.4479","0.0009","21.752","0.003","90","","90","","90","","957.1","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 170","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.0923","0.0496","","","0.1091","0.1285","","","","","","1.04","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520052","5.911","0.009","7.496","0.011","21.82","0.03","90","","90","","90","","967","2","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 290","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.1081","0.0549","","","0.121","0.1439","","","","","","1.002","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520053","4.6212","0.0013","27.484","0.008","26.923","0.007","90","","90","","90","","3419.5","1.6","296","2","296","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Rong, Yaoguang; Tang, Zhongjia; Zhao, Yufeng; Zhong, Xin; Venkatesan, Swaminathan; Graham, Harrison; Patton, Matthew; Jing, Yan; Guloy, Arnold M.; Yao, Yan","Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells.","Nanoscale","2015","7","24","10595","10599","10.1039/c5nr02866c","","","0.71073","MoKα","","0.1237","0.0538","","","0.1053","0.1217","","","","","","0.836","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520054","15.913","0.002","13.362","0.002","15.947","0.003","90","","95.548","0.006","90","","3374.9","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex3","","","- C26 H33 Cl4 N5 Nb2 -","- C26 H33 Cl4 N5 Nb2 -","- C104 H132 Cl16 N20 Nb8 -","4","1","","Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.","Inorganic chemistry","2015","54","12","6004","6009","10.1021/acs.inorgchem.5b00812","","","0.71075","MoKα","","0.1479","0.1186","","","0.2268","0.2474","","","","","","1.274","","","","has coordinates","140092","2020-10-21","18:00:00",""
"1520055","8.5962","0.0012","11.0422","0.0016","15.754","0.002","87.369","0.006","83.921","0.006","77.279","0.006","1450.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex4","","","- C23 H33 Cl4 N5 Nb2 -","- C23 H33 Cl4 N5 Nb2 -","- C46 H66 Cl8 N10 Nb4 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.","Inorganic chemistry","2015","54","12","6004","6009","10.1021/acs.inorgchem.5b00812","","","0.71073","MoKα","","0.0225","0.0208","","","0.0959","0.0989","","","","","","0.901","","","","has coordinates","140092","2020-10-21","18:00:00",""
"1520056","8.4679","0.0005","15.5173","0.0009","15.6028","0.0009","90.009","0.004","92.687","0.004","92.922","0.004","2045.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex6","","","- C31.5 H48 Cl4 N6 Nb2 O2 -","- C31.5 H48 Cl4 N6 Nb2 O2 -","- C63 H96 Cl8 N12 Nb4 O4 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.","Inorganic chemistry","2015","54","12","6004","6009","10.1021/acs.inorgchem.5b00812","","","0.71073","MoKα","","0.108","0.0627","","","0.1603","0.1894","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520057","9.8238","0.0005","14.484","0.0007","18.6974","0.0009","95.12","0.001","93.115","0.001","92.248","0.001","2643.3","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","Complex7","","","- C53 H54 Cl4 N7 Nb2 -","- C53 H58 Cl4 N7 Nb2 -","- C106 H116 Cl8 N14 Nb4 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Kawakita, Kento; Nechayev, Michael; Kriegel, Benjamin; Tsurugi, Hayato; Arnold, John; Mashima, Kazushi","Reduction of ((t)BuN═)NbCl3(py)2 in a Salt-Free Manner for Generating Nb(IV) Dinuclear Complexes and Their Reactivity toward Benzo[c]cinnoline.","Inorganic chemistry","2015","54","12","6004","6009","10.1021/acs.inorgchem.5b00812","","","0.71075","MoKα","","0.0754","0.0533","","","0.1223","0.1399","","","","","","1.066","","","","has coordinates,has disorder","140092","2020-10-21","18:00:00",""
"1520058","21.431","0.013","7.046","0.003","10.923","0.005","90","","110.33","0.04","90","","1546.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo O9 Te2 Th -","- Mo O9 Te2 Th -","- Mo8 O72 Te16 Th8 -","8","1","","Xiao, Bin; Klinkenberg, Martina; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Effects of Te(IV) Oxo-Anion Incorporation into Thorium Molybdates and Tungstates.","Inorganic chemistry","2015","54","12","5981","5990","10.1021/acs.inorgchem.5b00789","","","0.71073","MoKα","","0.0174","0.0162","","","0.0382","0.0388","","","","","","0.978","","","","has coordinates","201369","2020-10-21","18:00:00",""
"1520059","11.379","0.002","7.1208","0.0012","14.06","0.003","90","","90.6","0.02","90","","1139.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mo O13 Te3 Th2 -","- Mo O13 Te3 Th2 -","- Mo4 O52 Te12 Th8 -","4","1","","Xiao, Bin; Klinkenberg, Martina; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Effects of Te(IV) Oxo-Anion Incorporation into Thorium Molybdates and Tungstates.","Inorganic chemistry","2015","54","12","5981","5990","10.1021/acs.inorgchem.5b00789","","","0.71073","MoKα","","0.0339","0.0243","","","0.0439","0.0469","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520060","19.4824","0.0016","19.4824","0.0016","7.743","0.0005","90","","90","","90","","2939","0.4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- O9 Te2 Th W -","- O9 Te2 Th W -","- O144 Te32 Th16 W16 -","16","1","","Xiao, Bin; Klinkenberg, Martina; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Effects of Te(IV) Oxo-Anion Incorporation into Thorium Molybdates and Tungstates.","Inorganic chemistry","2015","54","12","5981","5990","10.1021/acs.inorgchem.5b00789","","","0.71073","MoKα","","0.0555","0.0403","","","0.0796","0.0943","","","","","","0.941","","","","has coordinates","201369","2020-10-21","18:00:00",""
"1520061","4.1252","0.0006","8.5122","0.0014","15.364","0.002","90","","92.599","0.012","90","","538.94","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O7 Te Th W -","- O7 Te Th W -","- O28 Te4 Th4 W4 -","4","1","","Xiao, Bin; Klinkenberg, Martina; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Effects of Te(IV) Oxo-Anion Incorporation into Thorium Molybdates and Tungstates.","Inorganic chemistry","2015","54","12","5981","5990","10.1021/acs.inorgchem.5b00789","","","0.71073","MoKα","","0.0533","0.0419","","","0.0798","0.0872","","","","","","1.082","","","","has coordinates","201369","2020-10-21","18:00:00",""
"1520062","9.2489","0.0003","12.1579","0.0004","18.0824","0.0006","82.455","0.002","82.843","0.002","81.221","0.002","1980.72","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H23 F12 N14 O0.5 P2 Ru -","- C40 H23 F12 N14 O0.5 P2 Ru -","- C80 H46 F24 N28 O P4 Ru2 -","2","1","","Cloonan, Suzanne M.; Elmes, Robert B. P.; Erby, MariaLuisa; Bright, Sandra A.; Poynton, Fergus E.; Nolan, Derek E.; Quinn, Susan J.; Gunnlaugsson, Thorfinnur; Williams, D. Clive","Detailed Biological Profiling of a Photoactivated and Apoptosis Inducing pdppz Ruthenium(II) Polypyridyl Complex in Cancer Cells.","Journal of medicinal chemistry","2015","58","11","4494","4505","10.1021/acs.jmedchem.5b00451","","","1.54178","CuKα","","0.0483","0.0451","","","0.116","0.1185","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520063","5.6265","0.0007","9.1195","0.001","9.5532","0.0011","90","","97.913","0.004","90","","485.52","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N10 O6 -","- C4 H2 N10 O6 -","- C8 H4 N20 O12 -","2","0.5","","Zhang, Jiaheng; Shreeve, Jean’ne M.","Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties","The Journal of Physical Chemistry C","2015","119","23","12887","","10.1021/acs.jpcc.5b03714","","x-ray","0.71073","MoKα","","0.0619","0.0425","","","0.1021","0.1122","","","","","","1.039","","","","has coordinates","140177","2020-10-21","18:00:00",""
"1520064","7.8","0.0016","8.2","0.0016","8.6","0.0017","90","","115.4","0.03","90","","496.9","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H2 N10 O7 -","- C4 H2 N10 O7 -","- C8 H4 N20 O14 -","2","1","","Zhang, Jiaheng; Shreeve, Jean’ne M.","Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties","The Journal of Physical Chemistry C","2015","119","23","12887","","10.1021/acs.jpcc.5b03714","","","0.71073","MoKα","","0.0352","0.035","","","0.0815","0.0816","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520065","20.8528","0.0008","11.8997","0.0005","22.661","0.0009","90","","90","","90","","5623.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F3 Ir N2 O4 -","- C29 H34 F3 Ir N2 O4 -","- C232 H272 F24 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0879","0.0603","","","0.1303","0.1436","","","","","","1.034","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520066","20.532","0.003","11.9277","0.0018","22.489","0.003","90","","90","","90","","5507.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Ir N2 O4 -","- C29 H37 Ir N2 O4 -","- C232 H296 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0617","0.0437","","","0.1039","0.1153","","","","","","1.011","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520067","9.1482","0.0013","10.3381","0.0015","14.352","0.002","97.296","0.003","107.21","0.003","99.526","0.003","1256.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 F6 Ir N2 O7 -","- C22 H25 F6 Ir N2 O7 -","- C44 H50 F12 Ir2 N4 O14 -","2","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0294","0.0254","","","0.0584","0.0597","","","","","","1.006","","","","has coordinates,has disorder","140194","2020-10-21","18:00:00",""
"1520068","10.037","0.002","8.2451","0.0018","18.991","0.005","90","","101.279","0.002","90","","1541.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Br2 N4 O2 -","- C32 H36 Br2 N4 O2 -","- C64 H72 Br4 N8 O4 -","2","0.5","","Zhu, Xiaxia; Du, Haifeng","A Highly Stereoselective Metal-Free Hydrogenation of Diimines for the Synthesis of Cis-Vicinal Diamines.","Organic letters","2015","17","12","3106","3109","10.1021/acs.orglett.5b01380","","","0.71073","MoKα","","0.0448","0.0403","","","0.094","0.0966","","","","","","1.145","","","","has coordinates","140277","2020-10-21","18:00:00",""
"1520069","10.9222","0.0005","11.7618","0.0005","17.7375","0.0008","90","","90","","90","","2278.64","0.18","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","wb11aug14",": (iPrPNMeP)FeCl2","","- C17 H39 Cl2 Fe N P2 -","- C17 H39 Cl2 Fe N P2 -","- C68 H156 Cl8 Fe4 N4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0204","0.0185","","","0.0442","0.045","","","","","","1.004","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520070","31.925","0.003","7.968","0.0008","21.06","0.002","90","","121.335","0.003","90","","4575.8","0.8","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","wb13aug14","(iPrPNMeP)Fe(H)BH4","","- C17 H44 B Fe N P2 -","- C17 H44 B Fe N P2 -","- C136 H352 B8 Fe8 N8 P16 -","8","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0996","0.0718","","","0.1767","0.1962","","","","","","0.997","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520071","8.4128","0.0006","31.269","0.002","9.8709","0.0009","90","","114.779","0.002","90","","2357.6","0.3","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wb10dec14","3a","","- C18 H44 B Fe N O P2 -","- C18 H44 B Fe N O P2 -","- C72 H176 B4 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0309","0.0279","","","0.0704","0.0718","","","","","","1.082","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520072","8.0283","0.0008","12.8902","0.0012","21.842","0.002","90","","98.351","0.007","90","","2236.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4a1","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71075","MoKα","","0.0693","0.0496","","","0.0952","0.1011","","","","","","1.112","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520073","11.5836","0.0004","15.4917","0.0005","13.1032","0.0005","90","","110.887","0.001","90","","2196.85","0.13","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb11feb15","4a2","","- C18 H41 Fe N O P2 -","- C18 H41 Fe N O P2 -","- C72 H164 Fe4 N4 O4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0462","0.0343","","","0.122","0.1352","","","","","","1.076","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520074","11.736","0.003","11.736","0.003","16.678","0.005","90","","90","","90","","2297.1","1.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","wb12feb15_2","5a","","- C19 H41 Fe N O3 P2 -","- C19 H41 Fe N O3 P2 -","- C76 H164 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.2182","0.0883","","","0.1222","0.1515","","","","","","1.014","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520075","15.4197","0.0008","12.0975","0.0006","16.0962","0.0008","90","","114.498","0.001","90","","2732.3","0.2","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb06nov14","CO2-1a","","- C23 H49 Fe N O3 P2 -","- C23 H49 Fe N O3 P2 -","- C92 H196 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0509","0.0401","","","0.1021","0.1092","","","","","","0.979","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520076","12.828","0.0006","25.0953","0.0011","21.3666","0.0009","90","","131.748","0.001","90","","5131.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0587","0.0384","","","0.0842","0.093","","","","","","1.032","","","","has coordinates","173731","2020-10-21","18:00:00",""
"1520077","12.9112","0.0009","25.0981","0.0018","21.0634","0.0014","90","","131.739","0.001","90","","5093.1","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0723","0.0464","","","0.0924","0.1062","","","","","","1.001","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520078","12.99","0.0008","25.155","0.0014","21.7332","0.0014","90","","131.733","0.002","90","","5299.6","0.6","353","","353","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.1045","0.0503","","","0.1123","0.1385","","","","","","1.011","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520079","17.1017","0.0013","13.7034","0.0008","10.0254","0.0011","90","","105.429","0.011","90","","2264.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H0.25 O13 Zn3 -","- C12 H4 O13 Zn3 -","- C48 H16 O52 Zn12 -","4","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.7107","MoKα","","0.0731","0.0604","","","0.1414","0.1478","","","","","","1.121","","","","has coordinates","143432","2020-10-21","18:00:00",""
"1520080","12.6947","0.0008","12.8242","0.0006","14.7971","0.0007","85.11","0.004","65.988","0.005","89.663","0.004","2191.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N7 O44.17 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","1","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.0708","0.0581","","","0.1542","0.1672","","","","","","1.049","","","","has coordinates,has disorder","143432","2020-10-21","18:00:00",""
"1520081","9.3468","0.0012","15.2267","0.0008","17.6517","0.0008","90","","95.599","0.008","90","","2500.2","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N2 O11 Zn1.5 -","- C17 H19 N2 O11 Zn1.5 -","- C68 H76 N8 O44 Zn6 -","4","1","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.1169","0.0875","","","0.2335","0.2587","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520082","14.068","0.0002","21.394","0.0003","26.2804","0.0004","67.4228","0.0015","86.9557","0.0013","89.2403","0.0012","7292.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H86 Co2 Dy2 N8 O24 -","- C61.5 H86 Co2 Dy2 N8 O24 -","- C246 H344 Co8 Dy8 N32 O96 -","4","2","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","x-ray","0.71073","MoKα","","0.1027","0.0838","","","0.1858","0.1945","","","","","","1.112","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1520083","17.0866","0.0007","19.9394","0.0007","20.2635","0.0009","90","","109.693","0.005","90","","6499.9","0.5","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Co Dy3 N9 O25 -","- C54 H74 Co Dy3 N9 O25 -","- C216 H296 Co4 Dy12 N36 O100 -","4","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","x-ray","0.71073","MoKα","","0.0438","0.0327","","","0.0705","0.0759","","","","","","1.066","","","","has coordinates","143681","2020-10-21","18:00:00",""
"1520084","13.7063","0.001","25.959","0.0018","32.551","0.002","73.03","0.002","88.444","0.003","89.026","0.003","11072.8","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C310 H404 Co10 Dy13 N33 O105 -","- C310 H404 Co10 Dy13 N33 O105 -","- C310 H404 Co10 Dy13 N33 O105 -","1","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","","0.71075","MoKα","","0.1111","0.076","","","0.1931","0.212","","","","","","0.923","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1520085","27.7587","0.0006","27.7587","0.0006","22.5433","0.0009","90","","90","","120","","15043.4","0.8","100","","100","","","","","","","","","6","P 6/m","-P 6","175","","","","- C120 H154 Co4 Dy4 N14 O34 -","- C120 H154 Co4 Dy4 N14 O34 -","- C360 H462 Co12 Dy12 N42 O102 -","3","0.25","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","","0.71073","MoKα","","0.1002","0.058","","","0.1401","0.1533","","","","","","0.939","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1520086","28.3983","0.0004","17.1091","0.0003","23.8614","0.0006","90","","90","","90","","11593.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H129 Co2 Dy5 N10 O37 -","- C92 H129 Co2 Dy5 N10 O37 -","- C368 H516 Co8 Dy20 N40 O148 -","4","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","x-ray","0.71073","MoKα","","0.1005","0.0911","","","0.2129","0.2165","","","","","","1.162","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1520087","24.6279","0.0017","12.2953","0.0005","26.851","0.002","90","","115.817","0.009","90","","7319.2","1","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Co2 Dy2 N10 O28 -","- C52 H72 Co2 Dy2 N10 O28 -","- C208 H288 Co8 Dy8 N40 O112 -","4","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","","0.71073","MoKα","","0.0739","0.0505","","","0.1226","0.1348","","","","","","1.042","","","","has coordinates","143681","2020-10-21","18:00:00",""
"1520088","15.73","0.008","29.011","0.014","15.857","0.008","90","","110.416","0.007","90","","6782","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150 H116 Co3 N28 O4 W2 -","- C150 H116 Co3 N28 O4 W2 -","- C300 H232 Co6 N56 O8 W4 -","2","0.5","","Zhao, Liang; Duan, Ran; Zhuang, Peng-Fei; Zheng, Hui; Jiao, Cheng-Qi; Wang, Jun-Li; He, Cheng; Liu, Tao","12-Metal 36-membered ring based W(V)-Co(II) layers showing spin-glass behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12613","12617","10.1039/c5dt01318f","","","0.71073","MoKα","","0.0753","0.0424","","","0.0947","0.1047","","","","","","0.978","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520089","15.2452","0.0003","16.9866","0.0004","17.9387","0.0004","111.222","0.001","99.768","0.001","104.345","0.001","4018.72","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C172 H130 Co3 N28 O6 W2 -","- C172 H130 Co3 N28 O6 W2 -","- C172 H130 Co3 N28 O6 W2 -","1","0.5","","Zhao, Liang; Duan, Ran; Zhuang, Peng-Fei; Zheng, Hui; Jiao, Cheng-Qi; Wang, Jun-Li; He, Cheng; Liu, Tao","12-Metal 36-membered ring based W(V)-Co(II) layers showing spin-glass behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12613","12617","10.1039/c5dt01318f","","","0.71073","MoKα","","0.0899","0.0642","","","0.1675","0.1814","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520090","6.585","0.001","25.608","0.004","8.656","0.001","90","","96.73","0.01","90","","1449.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridine-2,6-dicarboxylato-2,6-bis(hydroxymethyl)pyridine-nickel(II) monohydrate","","- C14 H14 N2 Ni O7 -","- C14 H14 N2 Ni O7 -","- C56 H56 N8 Ni4 O28 -","4","1","","Miklovič, Jozef; Valigura, Dušan; Boča, Roman; Titiš, Ján","A mononuclear Ni(ii) complex: a field induced single-molecule magnet showing two slow relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12484","12487","10.1039/c5dt01213a","","","0.71073","","","0.1499","0.0646","","","0.1104","0.1431","","","","","","1.016","","","","has coordinates","143695","2020-10-21","18:00:00",""
"1520091","12.6669","0.0013","13.5788","0.0013","16.3488","0.0017","107.303","0.002","99.72","0.002","96.736","0.002","2604","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 La2 N2 O116 W18 -","- C8 H16 As2 Fe4 La2 N2 O116 W18 -","- C8 H16 As2 Fe4 La2 N2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0563","0.0483","","","0.1196","0.1238","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520092","12.6523","0.0018","13.5456","0.0019","16.272","0.002","107.169","0.002","99.786","0.002","96.861","0.002","2582.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 N2 O116 Pr2 W18 -","- C8 As2 Fe4 N2 O116 Pr2 W18 -","- C8 As2 Fe4 N2 O116 Pr2 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0702","0.0589","","","0.1605","0.1684","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520093","12.6668","0.001","13.5691","0.0011","16.3027","0.0013","107.127","0.001","99.763","0.001","96.876","0.001","2595.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 N2 Nd2 O116 W18 -","- C8 H16 As2 Fe4 N2 Nd2 O116 W18 -","- C8 H16 As2 Fe4 N2 Nd2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0572","0.0502","","","0.1235","0.1273","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520094","12.6577","0.0016","13.5693","0.0017","16.278","0.002","107.165","0.002","99.801","0.002","96.896","0.002","2588.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 N2 O116 Sm2 W18 -","- C8 H16 As2 Fe4 N2 O116 Sm2 W18 -","- C8 H16 As2 Fe4 N2 O116 Sm2 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0718","0.0602","","","0.1578","0.1656","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520095","12.6292","0.0014","13.5134","0.0015","16.1999","0.0018","106.993","0.002","99.753","0.002","97.011","0.002","2562.3","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Eu2 Fe4 N2 O116 W18 -","- C8 H16 As2 Eu2 Fe4 N2 O116 W18 -","- C8 H16 As2 Eu2 Fe4 N2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0739","0.0681","","","0.1836","0.189","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520096","12.623","0.0007","13.5118","0.0008","16.1922","0.0009","106.789","0.001","99.755","0.001","97.152","0.001","2561.4","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 Gd2 N2 O116 W18 -","- C8 H16 As2 Fe4 Gd2 N2 O116 W18 -","- C8 H16 As2 Fe4 Gd2 N2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0589","0.0507","","","0.1292","0.1341","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520097","12.6063","0.0013","13.4464","0.0014","16.0241","0.0017","106.473","0.002","99.828","0.002","97.29","0.002","2522","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Fe4 N2 O116 Tb2 W18 -","- C8 H16 As2 Fe4 N2 O116 Tb2 W18 -","- C8 H16 As2 Fe4 N2 O116 Tb2 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0641","0.0569","","","0.1459","0.1507","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520098","12.6307","0.0011","13.5293","0.0011","16.195","0.0014","106.853","0.001","99.776","0.001","97.153","0.001","2565.5","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Dy2 Fe4 N2 O116 W18 -","- C8 H16 As2 Dy2 Fe4 N2 O116 W18 -","- C8 H16 As2 Dy2 Fe4 N2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0543","0.0489","","","0.1233","0.1265","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520099","12.5799","0.0009","13.4462","0.001","16.0508","0.0012","106.507","0.001","99.813","0.001","97.325","0.001","2520.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 As2 Er2 Fe4 N2 O116 W18 -","- C8 H16 As2 Er2 Fe4 N2 O116 W18 -","- C8 H16 As2 Er2 Fe4 N2 O116 W18 -","1","0.5","","Chen, Lijuan; Zhang, Fang; Ma, Xing; Luo, Jie; Zhao, Junwei","Two types of novel tetra-iron substituted sandwich-type arsenotungastates with supporting lanthanide pendants.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12598","12612","10.1039/c5dt00696a","","","0.71073","MoKα","","0.0778","0.0709","","","0.1867","0.1932","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520100","14.0738","0.0008","14.4682","0.0009","18.1303","0.0011","82.254","0.003","81.01","0.003","68.154","0.002","3372.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 N18 O18 Zn3 -","- C62 H57 N18 O18 Zn3 -","- C124 H114 N36 O36 Zn6 -","2","1","","Singh, Jasminder; Yadav, Manisha; Singh, Ajnesh; Singh, Narinder","Zinc metal complex as a sensor for simultaneous detection of fluoride and HSO4(-) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12589","12597","10.1039/c5dt01063b","","","0.71073","MoKα","","0.0542","0.0343","","","0.0808","0.0861","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520101","10.0513","0.0001","28.1929","0.0002","12.2189","0.0001","90","","112.243","0.001","90","","3204.88","0.05","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CuNPy3Cl","","- C34.08 H27.23 Cl Cu N4 O1.58 -","- C34.075 H27.225 Cl Cu N4 O1.575 -","- C136.3 H108.9 Cl4 Cu4 N16 O6.3 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","1.5418","CuKα","","0.1054","0.1032","","","0.3279","0.331","","","","","","1.293","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520102","10.0513","0.0001","28.1929","0.0002","12.2189","0.0001","90","","112.243","0.001","90","","3204.88","0.05","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CuNPy3Cl","","- C33 H24 Cl Cu N4 -","- C33 H24 Cl Cu N4 -","- C132 H96 Cl4 Cu4 N16 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","1.5418","CuKα","","0.0609","0.0592","","","0.1771","0.1787","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520103","9.077","0.0016","13.831","0.002","32.773","0.006","90","","90","","90","","4114.5","1.2","100","0.2","100","0.2","","","","","","","","5","P 2 2 21","P 2c 2","17","","CuNPy3NO3","","- C34.5 H24 Cu N5.5 O5.62 -","- C34.5 H24 Cu N5.5 O5.625 -","- C138 H96 Cu4 N22 O22.5 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","0.71073","MoKα","","0.129","0.1071","","","0.3008","0.3179","","","","","","1.117","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520104","9.077","0.0016","13.831","0.002","32.773","0.006","90","","90","","90","","4114.5","1.2","100","0.2","100","0.2","","","","","","","","5","P 2 2 21","P 2c 2","17","","CuNPy3NO3","","- C33 H24 Cu N5 O3 -","- C33 H24 Cu N5 O3 -","- C132 H96 Cu4 N20 O12 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15297","15303","10.1039/c5dt01233c","","","0.71073","MoKα","","0.0727","0.054","","","0.1316","0.1383","","","","","","1.104","","","","has coordinates,has disorder","161743","2020-10-21","18:00:00",""
"1520105","12.6007","0.0004","16.0006","0.0005","17.3353","0.0005","106.074","0.0015","101.073","0.0016","92.406","0.0016","3279.14","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H80 N4 O18 -","- C72 H80 N4 O18 -","- C144 H160 N8 O36 -","2","1","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","1.54178","CuKα","","0.1118","0.0771","","","0.1941","0.2207","","","","","","1.022","","","","has coordinates","192145","2020-10-21","18:00:00",""
"1520106","33.03","0.004","33.03","0.004","28.099","0.004","90","","90","","120","","26548","6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C224 H273 B3 F12 N12 O66 Zn8 -","- C192 H180 N12 O50 Zn8 -","- C576 H540 N36 O150 Zn24 -","3","0.166667","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","0.71073","MoKα","","0.1311","0.0782","","","0.2135","0.2814","","","","","","0.997","","","","has coordinates,has disorder","192145","2020-10-21","18:00:00",""
"1520107","6.22687","0.00001","6.22687","0.00001","12.47448","0.00003","90","","90","","90","","483.684","0.0016","297","2","297","2","","","","","","","","4","I -4 2 m","I -4 2","121","cadmium indium silver telluride","cadmium indium silver telluride","","- Ag0.2 Cd0.75 In2.1 Te4 -","- Ag0.199 Cd0.749 In2.099 Te4 -","- Ag0.398 Cd1.498 In4.198 Te8 -","2","0.125","","Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver","Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.","Inorganic chemistry","2015","54","12","5745","5756","10.1021/acs.inorgchem.5b00433","powder diffraction","x-ray","0.389618","synchrotron","","","","","","","","","0.026","2.58","","","","","","","has coordinates","140093","2020-10-21","18:00:00",""
"1520108","6.20368","0.00001","6.20368","0.00001","12.43258","0.00004","90","","90","","90","","478.476","0.0019","297","2","297","2","","","","","","","","3","I -4 2 m","I -4 2","121","indium silver telluride","indium silver telluride","","- Ag0.5 In2.5 Te4 -","- Ag0.5 In2.5 Te4 -","- Ag In5 Te8 -","2","0.125","","Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver","Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.","Inorganic chemistry","2015","54","12","5745","5756","10.1021/acs.inorgchem.5b00433","powder diffraction","x-ray","0.389712","synchrotron","","","","","","","","","0.017","1.55","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520109","6.24929","0.00003","6.24929","0.00003","12.49988","0.00009","90","","90","","90","","488.166","0.005","297","2","297","2","","","","","","","","3","P -4 2 c","P -4 2c","112","indium silver telluride","cadmium indium silvertelluride","","- Ag0.8 In2.4 Te4 -","- Ag0.8 In2.4 Te4 -","- Ag1.6 In4.8 Te8 -","2","0.25","","Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver","Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.","Inorganic chemistry","2015","54","12","5745","5756","10.1021/acs.inorgchem.5b00433","powder diffraction","x-ray","0.389687","synchrotron","","","","","","","","","0.029","1.8","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520110","6.21342","0.00001","6.21342","0.00001","12.45643","0.00001","90","","90","","90","","480.9","0.0012","297","2","297","2","","","","","","","","4","I -4 2 m","I -4 2","121","cadmium indium silver telluride","cadmium indium silver telluride","","- Ag0.25 Cd0.5 In2.25 Te4 -","- Ag0.25 Cd0.501 In2.249 Te4 -","- Ag0.5 Cd1.002 In4.498 Te8 -","2","0.125","","Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver","Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.","Inorganic chemistry","2015","54","12","5745","5756","10.1021/acs.inorgchem.5b00433","powder diffraction","x-ray","0.389746","synchrotron","","","","","","","","","0.068","1.4","","","","","","","has coordinates","140093","2020-10-21","18:00:00",""
"1520111","8.82965","0.00014","10.54451","0.00018","9.86508","0.00016","90","","90.6454","0.0016","90","","918.42","0.03","295.8","0.2","295.8","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C42 H52 N4 O8 -","2","1","","Zhang, Dong-Bo; Yu, Dao-Geng; Sun, Meng; Zhu, Xu-Xin; Yao, Xiao-Jun; Zhou, Shuang-Yan; Chen, Jian-Jun; Gao, Kun","Ervatamines A-I, Anti-inflammatory Monoterpenoid Indole Alkaloids with Diverse Skeletons from Ervatamia hainanensis.","Journal of natural products","2015","78","6","1253","1261","10.1021/acs.jnatprod.5b00051","","","1.54184","CuKα","","0.0583","0.0578","","","0.1514","0.1524","","","","","","1.039","","","","has coordinates","140133","2020-10-21","18:00:00",""
"1520112","6.33312","0.00018","12.6666","0.0003","25.6966","0.001","90","","90","","90","","2061.36","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Zhang, Dong-Bo; Yu, Dao-Geng; Sun, Meng; Zhu, Xu-Xin; Yao, Xiao-Jun; Zhou, Shuang-Yan; Chen, Jian-Jun; Gao, Kun","Ervatamines A-I, Anti-inflammatory Monoterpenoid Indole Alkaloids with Diverse Skeletons from Ervatamia hainanensis.","Journal of natural products","2015","78","6","1253","1261","10.1021/acs.jnatprod.5b00051","","x-ray","1.54184","CuKα","","0.0595","0.0542","","","0.1452","0.1503","","","","","","1.096","","","","has coordinates","140133","2020-10-21","18:00:00",""
"1520113","10.4814","0.0006","19.1943","0.0012","12.056","0.0007","90","","109.021","0.001","90","","2293","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ge Si -","- C24 H30 Ge Si -","- C96 H120 Ge4 Si4 -","4","1","","Zaitsev, Kirill V.; Lermontova, Elmira Kh.; Churakov, Andrei V.; Tafeenko, Viktor A.; Tarasevich, Boris N.; Poleshchuk, Oleg Kh.; Kharcheva, Anastasia V.; Magdesieva, Tatiana V.; Nikitin, Oleg M.; Zaitseva, Galina S.; Karlov, Sergey S.","Compounds of Group 14 Elements with an Element‒Element (E = Si, Ge, Sn) Bond: Effect of the Nature of the Element Atom","Organometallics","2015","34","12","2765","","10.1021/om501293t","","","0.71073","MoKα","","0.0375","0.0292","","","0.0717","0.0751","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520114","10.6888","0.0002","19.3569","0.0004","12.29","0.0003","90","","109.624","0.002","90","","2395.13","0.09","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ge2 -","- C24 H30 Ge2 -","- C96 H120 Ge8 -","4","1","","Zaitsev, Kirill V.; Lermontova, Elmira Kh.; Churakov, Andrei V.; Tafeenko, Viktor A.; Tarasevich, Boris N.; Poleshchuk, Oleg Kh.; Kharcheva, Anastasia V.; Magdesieva, Tatiana V.; Nikitin, Oleg M.; Zaitseva, Galina S.; Karlov, Sergey S.","Compounds of Group 14 Elements with an Element‒Element (E = Si, Ge, Sn) Bond: Effect of the Nature of the Element Atom","Organometallics","2015","34","12","2765","","10.1021/om501293t","","","1.54186","CuKα","","0.076","0.0436","","","0.1024","0.1111","","","","","","0.831","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520115","11.0225","0.0003","21.7372","0.0006","16.6855","0.0005","90","","92.4892","0.0004","90","","3994","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ge3 Si2 -","- C42 H48 Ge3 Si2 -","- C168 H192 Ge12 Si8 -","4","1","","Zaitsev, Kirill V.; Lermontova, Elmira Kh.; Churakov, Andrei V.; Tafeenko, Viktor A.; Tarasevich, Boris N.; Poleshchuk, Oleg Kh.; Kharcheva, Anastasia V.; Magdesieva, Tatiana V.; Nikitin, Oleg M.; Zaitseva, Galina S.; Karlov, Sergey S.","Compounds of Group 14 Elements with an Element‒Element (E = Si, Ge, Sn) Bond: Effect of the Nature of the Element Atom","Organometallics","2015","34","12","2765","","10.1021/om501293t","","","0.71073","MoKα","","0.0371","0.0272","","","0.0618","0.065","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520116","9.0455","0.0019","9.563","0.002","11.529","0.002","103.716","0.018","98.763","0.017","98.986","0.019","938.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H19 N -","- C28 H19 N -","- C56 H38 N2 -","2","1","","Liu, Xingyan; Li, Xiaoyu; Liu, Hu; Guo, Qiang; Lan, Jingbo; Wang, Ruilin; You, Jingsong","Aldehyde as a Traceless Directing Group for Rh(III)-Catalyzed C-H Activation: A Facile Access to Diverse Indolo[1,2-a]quinolines.","Organic letters","2015","17","12","2936","2939","10.1021/acs.orglett.5b01171","","","1.54184","CuKα","","0.1332","0.0809","","","0.1909","0.233","","","","","","0.979","","","","has coordinates","140266","2020-10-21","18:00:00",""
"1520117","8.9435","0.0002","12.1892","0.0003","12.2642","0.0003","63.163","0.001","87.526","0.001","77.6","0.001","1162.92","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H18 F8 I O3.5 S2 -","- C17.5 H18 F8 I O3.5 S2 -","- C35 H36 F16 I2 O7 S4 -","2","1","","Matsuzaki, Kohei; Okuyama, Kenta; Tokunaga, Etsuko; Saito, Norimichi; Shiro, Motoo; Shibata, Norio","Synthesis of Diaryliodonium Salts Having Pentafluorosulfanylarenes and Their Application to Electrophilic Pentafluorosulfanylarylation of C-, O-, N-, and S-Nucleophiles.","Organic letters","2015","17","12","3038","3041","10.1021/acs.orglett.5b01323","","","0.71075","MoKα","","0.0292","0.0275","","","0.0879","0.0929","","","","","","1.194","","","","has coordinates,has disorder","141406","2020-10-21","18:00:00",""
"1520118","4.7531","0.0007","15.683","0.002","14.17","0.002","90","","90.383","0.003","90","","1056.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Sinapic Acid","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0613","0.0392","","","0.1034","0.1148","","","","","","1.301","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520119","4.9109","0.0011","9.1732","0.0018","18.814","0.004","99.563","0.007","94.601","0.007","90.531","0.007","832.9","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Sinapic Acid + Nicotinamide","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C34 H36 N4 O12 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.1262","0.0536","","","0.1082","0.1322","","","","","","0.986","","","","has coordinates","143379","2020-10-21","18:00:00",""
"1520120","14.893","0.003","31.878","0.006","6.5992","0.0014","90","","95.192","0.004","90","","3120.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sinapic Acid + 4-Pyridinecarbonitrile","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0938","0.0652","","","0.1548","0.1683","","","","","","1.155","","","","has coordinates","171653","2020-10-21","18:00:00",""
"1520121","8.2922","0.0008","10.5857","0.001","14.7818","0.0015","98.274","0.002","94.315","0.002","105.62","0.002","1227.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0474","0.0393","","","0.1031","0.1089","","","","","","1.07","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520122","8.452","0.0006","10.605","0.001","14.9134","0.0013","98.535","0.003","94.47","0.003","104.13","0.003","1272.82","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0995","0.0522","","","0.1468","0.1694","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520123","24.102","0.005","16.905","0.003","22.71","0.006","90","","120.96","0.011","90","","7935","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Co2 Dy2 N4 O24 -","- C78 H74 Co2 Dy2 N4 O24 -","- C312 H296 Co8 Dy8 N16 O96 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.2031","0.0742","","","0.1789","0.2495","","","","","","0.963","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520124","23.592","0.006","16.697","0.004","23.137","0.008","90","","119.867","0.004","90","","7904","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cu2 Dy2 N4 O26 -","- C76 H66 Cu2 Dy2 N4 O24 -","- C304 H264 Cu8 Dy8 N16 O96 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1279","0.0777","","","0.2114","0.258","","","","","","1.031","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520125","24.03","0.005","16.831","0.003","22.733","0.005","90","","121.087","0.003","90","","7874","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H76 Dy2 N4 Ni2 O25 -","- C78 H74 Dy2 N4 Ni2 O25 -","- C312 H296 Dy8 N16 Ni8 O100 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.114","0.0557","","","0.1357","0.1739","","","","","","1.011","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520126","23.874","0.003","16.89","0.003","22.915","0.004","90","","120.515","0.012","90","","7960","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Dy2 N4 O24 Zn2 -","- C76 H66 Dy2 N4 O24 Zn2 -","- C304 H264 Dy8 N16 O96 Zn8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1253","0.0776","","","0.2172","0.2611","","","","","","1.063","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520127","24.175","0.004","16.937","0.003","22.73","0.005","90","","121.179","0.003","90","","7963","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Co2 Gd2 N4 O25 -","- C78 H74 Co2 Gd2 N4 O25 -","- C312 H296 Co8 Gd8 N16 O100 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.109","0.0544","","","0.1293","0.1582","","","","","","1.007","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520128","23.668","0.018","16.575","0.013","23.13","0.02","90","","119.671","0.014","90","","7884","11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Cu2 Gd2 N4 O24 -","- C74 H58 Cu2 Gd2 N4 O24 -","- C296 H232 Cu8 Gd8 N16 O96 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1573","0.0833","","","0.2256","0.2959","","","","","","1.011","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520129","24.011","0.008","16.677","0.006","22.589","0.01","90","","121.27","0.02","90","","7731","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H78 Gd2 N4 Ni2 O26 -","- C78 H74 Gd2 N4 Ni2 O26 -","- C312 H296 Gd8 N16 Ni8 O104 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.2001","0.083","","","0.1943","0.2539","","","","","","0.995","","","","has coordinates,has disorder","143468","2020-10-21","18:00:00",""
"1520130","23.749","0.003","16.59","0.002","22.922","0.003","90","","120.225","0.012","90","","7803","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Gd2 N4 O24 Zn2 -","- C76 H66 Gd2 N4 O24 Zn2 -","- C304 H264 Gd8 N16 O96 Zn8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1491","0.0734","","","0.1942","0.2495","","","","","","1.003","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520131","24.168","0.003","16.9669","0.0016","22.816","0.003","90","","121.013","0.002","90","","8018.4","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Co2 N4 O24 Tb2 -","- C78 H74 Co2 N4 O24 Tb2 -","- C312 H296 Co8 N16 O96 Tb8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1129","0.0539","","","0.1447","0.1791","","","","","","0.997","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520132","24.177","0.007","16.899","0.005","22.727","0.01","90","","121.326","0.018","90","","7932","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H72 N4 Ni2 O25 Tb2 -","- C78 H74 N4 Ni2 O25 Tb2 -","- C312 H296 N16 Ni8 O100 Tb8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1866","0.0719","","","0.1626","0.2229","","","","","","0.987","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520133","23.847","0.004","16.792","0.004","23.04","0.005","90","","120.204","0.015","90","","7974","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 N4 O24 Tb2 Zn2 -","- C76 H66 N4 O23 Tb2 Zn2 -","- C304 H264 N16 O92 Tb8 Zn8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1886","0.1024","","","0.273","0.3576","","","","","","1.08","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520134","24.133","0.002","17.0815","0.0015","22.658","0.003","90","","121.233","0.001","90","","7986.5","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Co2 N4 O26 Y2 -","- C78 H74 Co2 N4 O25 Y2 -","- C312 H296 Co8 N16 O100 Y8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1699","0.0657","","","0.1543","0.1953","","","","","","0.999","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520135","23.53","0.012","16.641","0.008","23.044","0.016","90","","119.75","0.03","90","","7834","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Cu2 N4 O24 Y2 -","- C74 H58 Cu2 N4 O24 Y2 -","- C296 H232 Cu8 N16 O96 Y8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.2204","0.0899","","","0.2499","0.3214","","","","","","0.991","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520136","24.185","0.003","17.062","0.002","22.656","0.004","90","","121.363","0.002","90","","7983","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 N4 Ni2 O24 Y2 -","- C78 H74 N4 Ni2 O24 Y2 -","- C312 H296 N16 Ni8 O96 Y8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.1408","0.0625","","","0.1647","0.2025","","","","","","0.979","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520137","23.8031","0.0014","16.5092","0.001","23.023","0.002","90","","119.934","0.001","90","","7840.4","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H62 Cu2 N4 O22 Tb2 -","- C74 H58 Cu2 N4 O22 Tb2 -","- C296 H232 Cu8 N16 O88 Tb8 -","4","0.5","","Wu, Jianfeng; Zhao, Lang; Zhang, Peng; Zhang, Li; Guo, Mei; Tang, Jinkui","Linear 3d-4f compounds: synthesis, structure, and determination of the d-f magnetic interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11935","11942","10.1039/c5dt01382h","","","0.71073","MoKα","","0.0906","0.0587","","","0.1719","0.2005","","","","","","1.028","","","","has coordinates","143468","2020-10-21","18:00:00",""
"1520138","10.0943","0.0008","15.9068","0.001","19.5472","0.0013","90","","90","","90","","3138.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Cu N4 O3 -","- C36 H42 Cu N4 O3 -","- C144 H168 Cu4 N16 O12 -","4","1","","Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio","Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12700","12710","10.1039/c5dt01496d","","","0.71073","MoKα","","0.0439","0.0365","","","0.0799","0.0821","","","","","","1.002","","","","has coordinates","143677","2020-10-21","18:00:00",""
"1520139","9.631","0.003","10.027","0.003","15.551","0.004","86.83","0.02","87.67","0.02","78.27","0.02","1467.5","0.7","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C68 H76 N8 O4 -","2","2","","Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio","Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12700","12710","10.1039/c5dt01496d","","","0.71073","MoKα","","0.2342","0.1479","","","0.3701","0.4177","","","","","","1.064","","","","has coordinates","143677","2020-10-21","18:00:00",""
"1520200","4.7983","0.0005","5.708","0.006","4.9747","0.0005","90","","91.124","0.007","90","","136.22","0.14","293","2","293","2","","","2400","","","","","3","P 1 2/c 1","-P 2yc","13","","manganese tungstate","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.029","0.0276","","","0.0604","0.0608","","","","","","1.109","","","","has coordinates","137660","2020-10-21","18:00:00",""
"1520201","4.6888","0.0006","5.536","0.006","4.8844","0.0005","90","","91.415","0.007","90","","126.75","0.14","293","2","293","2","","","14400","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.0375","0.0349","","","0.0791","0.0803","","","","","","1.084","","","","has coordinates","137661","2020-10-21","18:00:00",""
"1520202","4.6644","0.0007","5.468","0.006","4.8614","0.0006","90","","91.603","0.008","90","","123.94","0.14","293","2","293","2","","","20100","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 W -","- Mn O4 W -","- Mn2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.","High-pressure structural phase transition in MnWO4","Physical Review B","2015","91","","104109","","","","","0.28982","","","0.0717","0.0691","","","0.176","0.1821","","","","","","1.16","","","","has coordinates","137662","2020-10-21","18:00:00",""
"1520213","10.283","0.002","10.474","0.002","20.857","0.004","95.09","0.03","94.25","0.03","96.25","0.03","2216.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N12 O2 Zn4 -","- C46 H40 N12 O2 Zn4 -","- C92 H80 N24 O4 Zn8 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.1253","0.1133","","","0.2773","0.2831","","","","","","1.121","","","","has coordinates,has disorder","153071","2020-10-21","18:00:00",""
"1520214","10.828","0.005","13.677","0.005","14.95","0.007","90.64","0.02","106.555","0.018","95.534","0.017","2110.6","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B9 Cu N2 O P2 -","- C42 H48 B9 Cu N2 O P2 -","- C84 H96 B18 Cu2 N4 O2 P4 -","2","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.0336","0.0333","","","0.092","0.0923","","","","","","1.058","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520215","15.5324","0.0006","15.5957","0.0006","20.6244","0.0009","90","","98.789","0.0018","90","","4937.4","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 B9 Cl2 Cu N2 P2 -","- C53 H52 B9 Cl2 Cu N2 P2 -","- C212 H208 B36 Cl8 Cu4 N8 P8 -","4","1","","Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming","Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices","Chem. Sci.","2015","6","8","4623","","10.1039/C4SC03161J","","","1.54178","CuKα","","0.067","0.0603","","","0.1666","0.172","","","","","","1.103","","","","has coordinates","153071","2020-10-21","18:00:00",""
"1520217","11.4867","0.0005","12.742","0.0005","20.9942","0.0009","90","","90","","90","","3072.8","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 N4 O6 -","- C33 H38 N4 O6 -","- C132 H152 N16 O24 -","4","1","","Dufour-Gallant, Julien; Chatenet, David; Lubell, William D.","De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one γ-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.","Journal of medicinal chemistry","2015","58","11","4624","4637","10.1021/acs.jmedchem.5b00162","","","1.54178","CuKα","","0.0936","0.0876","","","0.2551","0.2597","","","","","","1.181","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520218","12.1222","0.0009","12.1222","0.0011","16.3859","0.0016","90","","90","","90","","2407.9","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","adametizine A","(3S,4S,7aS,8R,11R,11aR,12aR)-11-chloro-8,11a-dihydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-14-methyl-3,4,7a,8,11a,12-hexahydro-4,12a-(epiminomethano)benzo[5,6][1,2]oxazino[3,2-c][1,2,4]dithiazepine-5,13(11H)-dione ?","","- C21 H27 Cl N2 O10 S2 -","- C21 H27 Cl N2 O10 S2 -","- C84 H108 Cl4 N8 O40 S8 -","4","1","","Liu, Yang; Li, Xiao-Ming; Meng, Ling-Hong; Jiang, Wen-Li; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui","Bisthiodiketopiperazines and Acorane Sesquiterpenes Produced by the Marine-Derived Fungus Penicillium adametzioides AS-53 on Different Culture Media.","Journal of natural products","2015","78","6","1294","1299","10.1021/acs.jnatprod.5b00102","","","0.71073","MoKα","","0.0854","0.0431","","","0.082","0.1022","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520219","7.4701","0.0009","9.9307","0.0015","24.744","0.004","90","","90","","90","","1835.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Corlay, Nina; Lecsö-Bornet, Marylin; Leborgne, Erell; Blanchard, Florent; Cachet, Xavier; Bignon, Jérôme; Roussi, Fanny; Butel, Marie-Jose; Awang, Khalijah; Litaudon, Marc","Antibacterial Labdane Diterpenoids from Vitex vestita.","Journal of natural products","2015","78","6","1348","1356","10.1021/acs.jnatprod.5b00206","","","1.54187","CuKα","","0.1544","0.0837","","","0.1988","0.2467","","","","","","0.975","","","","has coordinates","154672","2020-10-21","18:00:00",""
"1520220","42.784","0.004","6.0454","0.0006","31.552","0.003","90","","119.951","0.002","90","","7071","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N -","- C24 H19 N -","- C384 H304 N16 -","16","2","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.0862","0.0594","","","0.1526","0.1703","","","","","","1.054","","","","has coordinates,has disorder","140265","2020-10-21","18:00:00",""
"1520221","12.0216","0.0013","6.2012","0.0007","30.083","0.003","90","","101.315","0.003","90","","2199","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N -","- C30 H23 N -","- C120 H92 N4 -","4","1","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.1184","0.0638","","","0.136","0.1576","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520222","29.558","0.003","6.041","0.0006","19.696","0.002","90","","104.661","0.002","90","","3402.4","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","1","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.0597","0.0476","","","0.1165","0.1247","","","","","","1.037","","","","has coordinates","140265","2020-10-21","18:00:00",""
"1520223","16.1172","0.0012","16.1172","0.0012","5.6393","0.0004","90","","90","","120","","1268.63","0.16","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C14 H16 Cl3 N O3 -","- C14 H16 Cl3 N O3 -","- C42 H48 Cl9 N3 O9 -","3","1","","Skvorcova, Marija; Grigorjeva, Liene; Jirgensons, Aigars","Tetrahydro-1,3-oxazepines via Intramolecular Amination of Cyclopropylmethyl Cation.","Organic letters","2015","17","12","2902","2904","10.1021/acs.orglett.5b01014","","","0.71073","MoKα","","0.2304","0.0888","","","0.1849","0.2421","","","","","","1.007","","","","has coordinates","141403","2020-10-21","18:00:00",""
"1520224","10.363","0.003","9.318","0.002","11.453","0.004","90","","112.7","0.04","90","","1020.3","0.6","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O2 S -","- C22 H22 N4 O2 S -","- C44 H44 N8 O4 S2 -","2","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Wang, Rui","Catalytic Enantioselective Ring-Opening and Ring-Closing Reactions of 3-Isothiocyanato Oxindoles and N-(2-Picolinoyl)aziridines.","Organic letters","2015","17","12","3004","3007","10.1021/acs.orglett.5b01291","","","0.71073","MoKα","","0.1","0.0598","","","0.125","0.1618","","","","","","0.994","","","","has coordinates","140271","2020-10-21","18:00:00",""
"1520225","4.5905","0.0005","23.474","0.003","13.2529","0.0015","90","","91.746","0.004","90","","1427.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N3 O3 -","- C13 H21 N3 O3 -","- C52 H84 N12 O12 -","4","1","","Martínez, Luís; Martorell, Gabriel; Sampedro, Ángel; Ballester, Pablo; Costa, Antoni; Rotger, Carmen","Hydrogen Bonded Squaramide-Based Foldable Module Induces Both β- and α-Turns in Hairpin Structures of α-Peptides in Water.","Organic letters","2015","17","12","2980","2983","10.1021/acs.orglett.5b01268","","","0.71073","MoKα","","0.0919","0.0562","","","0.1281","0.145","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520226","6.4782","0.0013","9.5193","0.0019","14.311","0.003","90","","90","","90","","882.5","0.3","153","2","153","2","","","","","","","","4","P m n a","-P 2ac 2","53","dimethyl melamine hydrochloride","Mela-DM?HCl","","- C5 H11 Cl N6 -","- C5 H11 Cl N6 -","- C20 H44 Cl4 N24 -","4","0.5","","Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi","Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method","Chem. Sci.","2015","6","8","4907","","10.1039/C5SC01631B","","","0.71073","MoKα","","0.0476","0.0355","","","0.092","0.1214","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520227","18.4232","0.0006","13.0618","0.0004","25.9802","0.0008","90","","99.53","0.001","90","","6165.6","0.3","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 B F24 Fe N P3 -","- C58 H55 B F24 Fe N P3 -","- C232 H220 B4 F96 Fe4 N4 P12 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.078","0.0476","","","0.1109","0.1273","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520228","19.963","0.005","17.492","0.006","19.586","0.006","90","","93.869","0.014","90","","6824","4","203","2","203","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C61 H60 B F24 Fe N O P3 -","- C61 H60 B F24 Fe N O P3 -","- C244 H240 B4 F96 Fe4 N4 O4 P12 -","4","0.5","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0899","0.0681","","","0.1825","0.1923","","","","","","1.155","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520229","19.6517","0.0007","12.5655","0.0004","25.3645","0.0007","90","","109.745","0.001","90","","5895.1","0.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45 B F24 Fe N2 P2 -","- C58 H45 B F24 Fe N2 P2 -","- C232 H180 B4 F96 Fe4 N8 P8 -","4","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0958","0.0576","","","0.1512","0.1782","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520230","10.2138","0.0008","10.6014","0.0008","12.4208","0.001","88.674","0.004","67.062","0.003","89.687","0.004","1238.24","0.17","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Fe N2 P2 -","- C26 H32 Fe N2 P2 -","- C52 H64 Fe2 N4 P4 -","2","1","","Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten","Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study","Chem. Sci.","2015","6","8","4730","","10.1039/C5SC01268F","","","0.71073","MoKα","","0.0663","0.0579","","","0.1692","0.1766","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520261","22.318","0.004","10.108","0.003","9.029","0.007","90","","90","","90","","2036.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cl F N4 O3 -","- C20 H20 Cl F N4 O3 -","- C80 H80 Cl4 F4 N16 O12 -","4","1","","Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C.","A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors","RSC Advances","2015","5","64","51717","51721","10.1039/C5RA07783D","","","0.71069","MoKα","","0.0974","0.0812","","","0.2212","0.2366","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520262","6.702","0.003","11.902","0.006","18.892","0.004","90","","90","","90","","1507","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C56 H72 N8 O16 S4 -","4","1","","Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C.","A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors","RSC Advances","2015","5","64","51717","51721","10.1039/C5RA07783D","","","0.71069","MoKα","","0.0554","0.0416","","","0.0948","0.1007","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520263","8.2251","0.0001","10.3695","0.0001","9.9358","0.0001","90","","94.251","0.0007","90","","845.095","0.016","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Rhodium complex","12a","","- C16 H18 N4 O2 S -","- C16 H18 N4 O2 S -","- C32 H36 N8 O4 S2 -","2","1","","Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A.","Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones","RSC Advances","2015","5","64","51722","51729","10.1039/C5RA08220J","","","0.71073","MoKα","","0.0297","0.0291","","","0.0791","0.08","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520292","5.615","0.016","10.35","0.03","11.29","0.03","90","","102.9","0.03","90","","640","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C22 H28 Cl2 N2 O2 S2 -","2","1","","Chen, Xiao-Yang; Sun, Li-Sen; Gao, Xiang; Sun, Xing-Wen","Diastereoselective Allylation ofN-tert-Butanesulfinyl Imines: An Asymmetric Synthesis Experiment for the Undergraduate Organic Laboratory","Journal of Chemical Education","2015","92","4","714","","10.1021/ed500292q","","","0.71073","MoKα","","0.0508","0.0352","","","0.08","0.0995","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520293","14.2564","0.0005","4.6063","0.0002","10.7577","0.0003","90","","90","","90","","706.45","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br2 N -","- C5 H5 Br2 N -","- C20 H20 Br8 N4 -","4","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0308","0.0256","","","0.0548","0.0572","","","","","","1.067","","","","has coordinates","138011","2020-10-21","18:00:00",""
"1520294","7.3965","0.0003","14.3362","0.0004","14.5021","0.0004","90","","90","","90","","1537.77","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C56 H80 Cl8 N8 -","8","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0444","0.0401","","","0.1077","0.1117","","","","","","1.034","","","","has coordinates","138012","2020-10-21","18:00:00",""
"1520295","10.8192","0.001","16.9726","0.0005","6.8298","0.0007","90","","130.762","0.016","90","","949.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Br2 Cl N2 O -","- C5 H7 Br2 Cl N2 O -","- C20 H28 Br8 Cl4 N8 O4 -","4","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0465","0.0327","","","0.0704","0.0761","","","","","","1.021","","","","has coordinates","138013","2020-10-21","18:00:00",""
"1520296","9.66584","0.00033","9.66584","0.00033","7.19","0.00029","90","","90","","120","","581.75","0.04","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- B0.6 La10 N1.4 O24.6 Si5.4 -","- B0.6 La10 N1.4 O24.6 Si5.4 -","- B0.6 La10 N1.4 O24.6 Si5.4 -","1","0.0833333","","Xia, Zhiguo; Molokeev, Maxim S.; Im, Won Bin; Unithrattil, Sanjith; Liu, Quanlin","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1‒x)(O13‒xNx):Ce3+Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","","10.1021/acs.jpcc.5b01211","powder diffraction","neutron","1.83515","neutron","","","","","","","","","3.1","3.124","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1520297","26.6011","0.001","19.037","0.0009","14.4208","0.0005","90","","114.731","0.002","90","","6633","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pseudorotaxane of propionic acid","","","- C52 H60 Br N4 O18 S2 -","- C52 H60 Br N4 O18 S2 -","- C208 H240 Br4 N16 O72 S8 -","4","0.5","","Carrasco-Ruiz, Anayeli; Tiburcio, Jorge","Electrostatic Kinetic Barriers in the Threading/Dethreading Motion of a Rotaxane-like Complex.","Organic letters","2015","17","8","1858","1861","10.1021/acs.orglett.5b00530","","","0.71073","MoKα","","0.1888","0.1353","","","0.3612","0.3904","","","","","","1.302","","","","has coordinates","138023","2020-10-21","18:00:00",""
"1520298","11.8381","0.0003","23.4128","0.0006","11.8991","0.0004","90","","107.339","0.001","90","","3148.12","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pseudorotaxane propionate","","","- C52 H86 N4 O32 S2 -","- C52 H86 N4 O32 S2 -","- C104 H172 N8 O64 S4 -","2","0.5","","Carrasco-Ruiz, Anayeli; Tiburcio, Jorge","Electrostatic Kinetic Barriers in the Threading/Dethreading Motion of a Rotaxane-like Complex.","Organic letters","2015","17","8","1858","1861","10.1021/acs.orglett.5b00530","","","0.71073","MoKα","","0.2381","0.1216","","","0.3136","0.3745","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520299","5.7232","0.0004","10.8546","0.001","32.913","0.002","90","","90","","90","","2044.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 I O3 -","- C22 H23 I O3 -","- C88 H92 I4 O12 -","4","1","","Merad, Jérémy; Borkar, Prashant; Bouyon Yenda, Tracy; Roux, Christèle; Pons, Jean-Marc; Parrain, Jean-Luc; Chuzel, Olivier; Bressy, Cyril","Highly Enantioselective Acylation of Acyclic Meso 1,3-Diols through Synergistic Isothiourea-Catalyzed Desymmetrization/Chiroablative Kinetic Resolution.","Organic letters","2015","17","9","2118","2121","10.1021/acs.orglett.5b00707","","x-ray","1.54184","CuKα","","0.0749","0.0594","","","0.1674","0.1916","","","","","","1.125","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520300","7.1052","0.0003","14.1156","0.0006","16.3735","0.0008","105.153","0.002","91.858","0.003","102.309","0.002","1541.85","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N4 O2 -","- C36 H46 N4 O2 -","- C72 H92 N8 O4 -","2","1","","Meehan, Eileen; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","Octaethyl-1,3-oxazinochlorin: A β-Octaethylchlorin Analogue Made by Pyrrole Expansion.","Organic letters","2015","17","9","2210","2213","10.1021/acs.orglett.5b00800","","","1.54178","CuKα","","0.0721","0.0576","","","0.1555","0.1717","","","","","","1.042","","","","has coordinates,has disorder","138027","2020-10-21","18:00:00",""
"1520301","26.0651","0.0012","15.2582","0.0007","9.5468","0.0005","90","","96.584","0.002","90","","3771.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58.333 N5 O -","- C40.9994 H58.3322 N4.99998 O -","- C163.998 H233.329 N19.9999 O4 -","4","1","","Meehan, Eileen; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","Octaethyl-1,3-oxazinochlorin: A β-Octaethylchlorin Analogue Made by Pyrrole Expansion.","Organic letters","2015","17","9","2210","2213","10.1021/acs.orglett.5b00800","","","1.54178","CuKα","","0.0578","0.0465","","","0.1324","0.1438","","","","","","1.035","","","","has coordinates,has disorder","138028","2020-10-21","18:00:00",""
"1520302","18.4779","0.0014","9.1189","0.0007","19.3437","0.0015","90","","109.352","0.001","90","","3075.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","syn-1,2-bis(5-bromo-2-hydroxyphenyl)-2-((diphenylmethylene)amino)ethyl acetate","","- C33 H31 Br2 N O6 -","- C33 H31 Br2 N O6 -","- C132 H124 Br8 N4 O24 -","4","1","","Tang, Shaojian; Park, Jong Yeun; Yeagley, Andrew A.; Sabat, Michal; Chruma, Jason J.","Decarboxylative Generation of 2-Azaallyl Anions: 2-Iminoalcohols via a Decarboxylative Erlenmeyer Reaction.","Organic letters","2015","17","9","2042","2045","10.1021/acs.orglett.5b00107","","","0.71073","MoKα","","0.1235","0.0674","","","0.1479","0.1704","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520303","11.1164","0.0006","12.6843","0.0007","11.5897","0.0007","90","","118.363","0.002","90","","1438.02","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cl N2 Ni -","- C13 H23 Cl N2 Ni -","- C52 H92 Cl4 N8 Ni4 -","4","1","","Shields, Jason D.; Gray, Erin E.; Doyle, Abigail G.","A modular, air-stable nickel precatalyst.","Organic letters","2015","17","9","2166","2169","10.1021/acs.orglett.5b00766","","","0.71073","MoKα","","0.0583","0.0502","","","0.1216","0.1258","","","","","","1.394","","","","has coordinates","138030","2020-10-21","18:00:00",""
"1520304","15.592","0.0006","20.5827","0.0003","60.065","0.0012","90","","90","","90","","19276.4","0.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66.33 H81.67 N2 O4 Yb -","- C66.3333 H81.6667 N2 O4 Yb -","- C796 H980 N24 O48 Yb12 -","12","3","","Zeng, Chao; Yuan, Dan; Zhao, Bei; Yao, Yingming","Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones Catalyzed by Rare-Earth Amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with Phenoxy-Functionalized Chiral Prolinols.","Organic letters","2015","17","9","2242","2245","10.1021/acs.orglett.5b00833","","","1.54184","CuKα","","0.0944","0.071","","","0.1658","0.1855","","","","","","1.002","","","","has coordinates,has disorder","138031","2020-10-21","18:00:00",""
"1520305","16.4651","0.0013","6.6186","0.0004","14.9686","0.0012","90","","109.033","0.006","90","","1542","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N O4 -","- C6 H9 N O4 -","- C48 H72 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0458","0.0329","","","0.0817","0.0845","","","","","","1.005","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520306","11.0623","0.0004","9.4884","0.0004","11.6015","0.0005","90","","90.961","0.004","90","","1217.56","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","JR2068S3M","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0511","0.0359","","","0.0723","0.0782","","","","","","1.063","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520307","9.5474","0.0005","11.4938","0.0006","11.5223","0.0006","92.227","0.004","96.964","0.004","91.605","0.004","1253.45","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 B F2 N O3 -","- C10 H16 B F2 N O3 -","- C40 H64 B4 F8 N4 O12 -","4","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0387","0.0296","","","0.0776","0.0796","","","","","","1.056","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520308","7.8638","0.0003","14.0418","0.0005","12.6427","0.0005","90","","91.6599","0.0014","90","","1395.45","0.09","115","2","115","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B F2 N O3 -","- C12 H20 B F2 N O3 -","- C48 H80 B4 F8 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0353","0.0316","","","0.0768","0.0794","","","","","","1.076","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520309","14.7772","0.0013","11.1085","0.001","16.6848","0.0013","90","","92.405","0.004","90","","2736.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B F2 N O3 -","- C12 H18 B F2 N O3 -","- C96 H144 B8 F16 N8 O24 -","8","4","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0954","0.0794","","","0.1921","0.2043","","","","","","1.123","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520310","10.6399","0.0007","11.8723","0.0007","11.9174","0.0007","90","","107.028","0.002","90","","1439.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 B F2 N O3 -","- C13 H20 B F2 N O3 -","- C52 H80 B4 F8 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0604","0.053","","","0.1483","0.1563","","","","","","1.056","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520311","11.3963","0.0005","11.7254","0.0005","12.5468","0.0006","74.986","0.004","64.116","0.003","64.237","0.003","1353.47","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 B F2 N O4 -","- C12 H18 B F2 N O4 -","- C48 H72 B4 F8 N4 O16 -","4","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0427","0.0325","","","0.0912","0.0941","","","","","","1.049","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520312","12.1721","0.0008","49.556","0.003","8.341","0.0006","90","","90","","90","","5031.3","0.6","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","JR2102A3","","","- C10 H16 B F2 N O4 -","- C10 H16 B F2 N O4 -","- C160 H256 B16 F32 N16 O64 -","16","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0721","0.042","","","0.0643","0.0721","","","","","","1.029","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520313","7.0022","0.0003","7.7079","0.0004","12.3657","0.0006","83.232","0.002","83.476","0.002","76.265","0.002","641.26","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 B F2 N O4 -","- C10 H16 B F2 N O4 -","- C20 H32 B2 F4 N2 O8 -","2","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0333","0.0297","","","0.0739","0.0763","","","","","","1.063","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520314","7.8792","0.001","8.1476","0.0011","10.2749","0.0013","106.191","0.004","106.585","0.004","104.538","0.004","566.58","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C20 H34 N2 O8 -","2","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0649","0.0492","","","0.1247","0.1358","","","","","","1.059","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520315","16.8311","0.0007","9.1985","0.0003","18.0999","0.0008","90","","90","","90","","2802.24","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 B F2 N O4 -","- C12 H20 B F2 N O4 -","- C96 H160 B8 F16 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.049","0.0374","","","0.0829","0.0885","","","","","","1.026","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520316","10.3517","0.0006","15.7916","0.0011","9.5485","0.0006","90","","99.476","0.002","90","","1539.59","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","JR2136","","","- C12 H18 B Br2 F2 N O4 -","- C12 H18 B Br2 F2 N O4 -","- C48 H72 B4 Br8 F8 N4 O16 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0353","0.0288","","","0.0754","0.0794","","","","","","1.037","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520317","8.8688","0.0004","18.0772","0.0008","6.0396","0.0003","90","","94.753","0.003","90","","964.96","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Br O4 -","- C8 H11 Br O4 -","- C32 H44 Br4 O16 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.031","0.0236","","","0.051","0.0538","","","","","","1.052","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520318","12.2584","0.0005","10.1061","0.0004","31.0115","0.0013","90","","90","","90","","3841.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","JR21673","","","- C19 H23.6 B F2 N2 O5.3 -","- C19 H23.603 B F2 N2 O5.3015 -","- C152 H188.824 B8 F16 N16 O42.412 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0541","0.0383","","","0.0822","0.0887","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520319","15.4609","0.0006","8.0727","0.0002","15.6576","0.0005","90","","103.611","0.002","90","","1899.36","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","JR2192","","","- C19 H23 B F2 N2 O5 -","- C19 H23 B F2 N2 O5 -","- C76 H92 B4 F8 N8 O20 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0462","0.04","","","0.0958","0.0994","","","","","","1.054","","","","has coordinates","141402","2020-10-21","18:00:00",""
"1520320","12.5638","0.0015","14.8917","0.0018","13.7164","0.0017","90","","104.477","0.001","90","","2484.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N2 O4 P -","- C30 H25 N2 O4 P -","- C120 H100 N8 O16 P4 -","4","1","","Yamamura, Masaki; Takizawa, Hiroyuki; Nabeshima, Tatsuya","Zwitterionic N2O2-Type Protonated Dipyrrin Bearing a Phosphate Anionic Moiety as a pH-Responsive Fluorescence Indicator.","Organic letters","2015","17","12","3114","3117","10.1021/acs.orglett.5b01414","","","0.71073","MoKα","","0.0424","0.0346","","","0.0867","0.0917","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520321","4.5659","0.0001","4.5659","0.0001","14.1764","0.0004","90","","90","","120","","255.947","0.011","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Ga O3 -","- B Ga O3 -","- B6 Ga6 O18 -","6","0.166667","","Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth","Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3","Crystals","2015","5","2","252","","10.3390/cryst5020252","","x-ray","0.71073","MoKα","","0.0155","0.0153","","","0.0432","0.0433","","","","","","1.172","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520322","11.6025","0.0007","15.9736","0.0009","15.9849","0.001","104.371","0.005","91.222","0.005","100.534","0.005","2814.5","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H72 Cu6 Ge N24 O64 W12 -","- C76 H72 Cu6 Ge N24 O64 W12 -","- C76 H72 Cu6 Ge N24 O64 W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","1.54184","CuKα","","0.112","0.0789","","","0.1979","0.2308","","","","","","1.039","","","","has coordinates","138316","2020-10-21","18:00:00",""
"1520323","11.9426","0.0002","12.8151","0.0003","30.0533","0.0006","101.508","0.002","90.346","0.002","105.544","0.002","4333.58","0.16","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C46 H62 Cu3.5 N19 O59 Si W12 -","- C46 H52 Cu3.5 N19 O59 Si W12 -","- C92 H104 Cu7 N38 O118 Si2 W24 -","2","1","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0933","0.086","","","0.1732","0.1763","","","","","","1.273","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520324","11.711","0.0003","15.9628","0.0006","17.0341","0.0005","107.057","0.003","94.372","0.002","100.971","0.002","2958.92","0.17","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H88 Cu6 Ge N24 O72 W12 -","- C76 H72 Cu6 Ge N24 O72 W12 -","- C76 H72 Cu6 Ge N24 O72 W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0456","0.0436","","","0.0926","0.0933","","","","","","1.28","","","","has coordinates","138318","2020-10-21","18:00:00",""
"1520325","11.6039","0.0003","15.9379","0.0005","15.9984","0.0005","104.292","0.002","91.168","0.002","100.599","0.002","2811.55","0.15","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H72 Cu6 N24 O64 Si W12 -","- C76 H72 Cu6 N24 O64 Si W12 -","- C76 H72 Cu6 N24 O64 Si W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0523","0.0461","","","0.083","0.0848","","","","","","1.363","","","","has coordinates","138319","2020-10-21","18:00:00",""
"1520326","11.7014","0.0004","15.9523","0.0005","17.0285","0.0005","107.102","0.003","94.393","0.003","101.008","0.003","2952.16","0.18","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H88 Cu6 N24 O72 Si W12 -","- C76 H72 Cu6 N24 O72 Si W12 -","- C76 H72 Cu6 N24 O72 Si W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","1.54184","CuKα","","0.0531","0.0503","","","0.1154","0.1168","","","","","","1.278","","","","has coordinates","138321","2020-10-21","18:00:00",""
"1520327","11.03023","0.00016","16.9232","0.0002","32.4507","0.0005","90","","98.8238","0.0013","90","","5985.78","0.15","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H84 Br Mo6 N3 O18 S -","- C29 H48 Br Mo6 N2 O18 S -","- C116 H192 Br4 Mo24 N8 O72 S4 -","4","1","","Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris","A Heteroaromatically Functionalized Hexamolybdate","Inorganics","2015","3","2","82","","10.3390/inorganics3020082","","x-ray","1.54184","CuKα","","0.0898","0.079","","","0.2332","0.2471","","","","","","1.131","","","","has coordinates,has disorder","138322","2020-10-21","18:00:00",""
"1520328","12.5989","0.0005","11.5694","0.0005","15.267","0.0006","90","","101.954","0.004","90","","2177.09","0.16","130.1","0.1","293.18","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N S -","- C26 H22 Br N S -","- C104 H88 Br4 N4 S4 -","4","1","","Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris","A Heteroaromatically Functionalized Hexamolybdate","Inorganics","2015","3","2","82","","10.3390/inorganics3020082","","x-ray","0.71073","MoKα","","0.0769","0.0497","","","0.1394","0.1727","","","","","","1.151","","","","has coordinates","138323","2020-10-21","18:00:00",""
"1520379","8.7283","0.0002","25.8978","0.0004","10.1531","0.0002","90","","109.86","0.002","90","","2158.55","0.08","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","2","","Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.","Journal of natural products","2015","78","6","1442","1445","10.1021/acs.jnatprod.5b00103","","","1.54184","CuKα","","0.035","0.0337","","","0.0922","0.0937","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520380","8.1342","0.0001","18.9651","0.0002","15.1089","0.0001","90","","102.491","0.001","90","","2275.62","0.04","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","2","","Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24.","Journal of natural products","2015","78","6","1442","1445","10.1021/acs.jnatprod.5b00103","","","1.54184","CuKα","","0.0323","0.032","","","0.0887","0.0892","","","","","","1.051","","","","has coordinates","141362","2020-10-21","18:00:00",""
"1520381","4.6265","0.0004","5.6189","0.0006","38.026","0.004","90","","90.753","0.004","90","","988.43","0.17","90","","90","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H31 N3 O2 -","- C21 H31 N3 O2 -","- C42 H62 N6 O4 -","2","1","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki","Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.","The journal of physical chemistry. A","2015","119","24","6223","6231","10.1021/acs.jpca.5b02850","","","1.54187","CuKα","","0.1511","0.0903","","","0.2308","0.301","","","","","","1.131","","","","has coordinates","140174","2020-10-21","18:00:00",""
"1520382","9.7164","","12.2827","","20.5362","","89.4219","","77.1355","","72.4856","","2274.31","","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H67 I Li N7 O5 -","- C44 H67 I Li N7 O5 -","- C88 H134 I2 Li2 N14 O10 -","2","1","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki","Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.","The journal of physical chemistry. A","2015","119","24","6223","6231","10.1021/acs.jpca.5b02850","","","1.54187","CuKα","","0.0673","0.0572","","","0.1267","0.1322","","","","","","1.068","","","","has coordinates","140174","2020-10-21","18:00:00",""
"1520383","7.72739","0.00014","52.0258","0.0009","28.9218","0.0005","90","","93.4544","0.0008","90","","11606.1","0.4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H67 Cl N4 O2 -","- C37 H67 Cl N4 O2 -","- C444 H804 Cl12 N48 O24 -","12","3","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki","Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.","The journal of physical chemistry. A","2015","119","24","6223","6231","10.1021/acs.jpca.5b02850","","","1.54187","CuKα","","0.3103","0.1093","","","0.2666","0.3795","","","","","","0.864","","","","has coordinates","140174","2020-10-21","18:00:00",""
"1520384","8.0639","0.0006","16.5724","0.0011","29.689","0.002","79.436","0.003","86.017","0.004","89.75","0.003","3890.8","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H66 N4 O4 -","- C37 H66 N4 O4 -","- C148 H264 N16 O16 -","4","2","","Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki","Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.","The journal of physical chemistry. A","2015","119","24","6223","6231","10.1021/acs.jpca.5b02850","","","1.54187","CuKα","","0.3919","0.1477","","","0.319","0.4673","","","","","","0.911","","","","has coordinates","140174","2020-10-21","18:00:00",""
"1520385","18.718","0.0014","20.1801","0.0014","21.555","0.002","63.466","0.008","65.8","0.008","82.646","0.006","6629.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","sapphyrin","","","- C41 H45 Cl2 N5 O18 -","- C41 H45 Cl2 N5 O18 -","- C246 H270 Cl12 N30 O108 -","6","3","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","0.71073","MoKα","","0.2907","0.1035","","","0.2355","0.3555","","","","","","0.957","","","","has coordinates","140270","2020-10-21","18:00:00",""
"1520386","9.5948","0.0003","11.7166","0.0003","43.6295","0.0016","90","","91.392","0.004","90","","4903.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sapphyrin","decamethoxysapphyrin","","- C48 H53 N5 O16 S2 -","- C48 H53 N5 O16 S2 -","- C192 H212 N20 O64 S8 -","4","1","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","1.54184","CuKα","","0.1103","0.0921","","","0.2555","0.2745","","","","","","1.115","","","","has coordinates","140270","2020-10-21","18:00:00",""
"1520387","10.656","0.003","38.925","0.009","11.435","0.003","90","","111.21","0.03","90","","4422","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 N5 O13 S -","- C48 H51 N5 O13 S -","- C192 H204 N20 O52 S4 -","4","1","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","0.71073","MoKα","","0.2418","0.0854","","","0.1505","0.2325","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520388","8.6008","0.0011","10.6881","0.0012","18.1","0.003","90","","90","","90","","1663.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Battini, Narsaiah; Battula, Satyanarayana; Kumar, Raju Ranjith; Ahmed, Qazi Naveed","2-Oxo Driven Unconventional reactions: Microwave Assisted Approaches to Tetrahydrofuro[3,2-d]oxazoles and Furanones.","Organic letters","2015","17","12","2992","2995","10.1021/acs.orglett.5b01271","","","0.71073","MoKα","","0.0697","0.0468","","","0.1004","0.1151","","","","","","1.036","","","","has coordinates","154780","2020-10-21","18:00:00",""
"1520389","9.576","0.003","13.43","0.004","26.522","0.008","90","","90","","90","","3410.9","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 N2 O5 -","- C36 H53 N2 O5 -","- C144 H212 N8 O20 -","4","1","","Takemoto, Yusa; Yamamoto, Takayuki; Ikuma, Naohiko; Uchida, Yoshiaki; Suzuki, Katsuaki; Shimono, Satoshi; Takahashi, Hiroki; Sato, Nobuhiro; Oba, Yojiro; Inoue, Rintaro; Sugiyama, Masaaki; Tsue, Hirohito; Kato, Tatsuhisa; Yamauchi, Jun; Tamura, Rui","Preparation, characterization and magnetic behavior of a spin-labelled physical hydrogel containing a chiral cyclic nitroxide radical unit fixed inside the gelator molecule.","Soft matter","2015","11","27","5563","5570","10.1039/c5sm01216c","","","0.71075","MoKα","","0.1132","0.0822","","","0.1262","0.1397","","","","","","1.095","","","","has coordinates","143772","2020-10-21","18:00:00",""
"1520439","7.923","0.003","11.039","0.004","27.77","0.012","90","","96.981","0.014","90","","2410.8","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B Cl2 F8 N3 -","- C26 H18 B Cl2 F8 N3 -","- C104 H72 B4 Cl8 F32 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0569","0.0549","","","0.1471","0.1491","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520440","13.159","0.005","12.065","0.004","15.082","0.006","90","","98.075","0.014","90","","2370.7","1.5","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.14 H22.79 B Cl0.79 F2 N3 O3.24 -","- C26.14 H22.794 B Cl0.794 F2 N3 O3.241 -","- C104.56 H91.176 B4 Cl3.176 F8 N12 O12.964 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.068","0.0577","","","0.154","0.1681","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520441","15.429","0.002","41.602","0.007","24.49","0.004","90","","91.209","0.006","90","","15716","4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C707 H656 B16 F32 N48 O9 -","- C706.992 H656 B16 F32 N48 O9 -","- C706.992 H656 B16 F32 N48 O9 -","1","0.25","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.171","0.1213","","","0.2993","0.3481","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520442","33.021","0.012","10.588","0.004","23.034","0.008","90","","132.89","0.005","90","","5900","4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.79 H27.57 B Cl1.57 F2 N3 -","- C35.7854 H27.5708 B Cl1.5708 F2 N3 -","- C286.283 H220.566 B8 Cl12.5664 F16 N24 -","8","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0714","0.061","","","0.1708","0.185","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520443","7.3425","0.0014","11.0127","0.0016","15.884","0.003","94.772","0.004","97.467","0.007","91.375","0.01","1268.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 B Cl2 F2 N3 -","- C32 H24 B Cl2 F2 N3 -","- C64 H48 B2 Cl4 F4 N6 -","2","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0314","0.0294","","","0.0856","0.0868","","","","","","1.093","","","","has coordinates","140268","2020-10-21","18:00:00",""
"1520444","8.0911","0.0018","21.853","0.005","25.007","0.006","90","","97.291","0.006","90","","4385.9","1.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.45 H44.9 B Cl2.9 F2 N3 -","- C50.45 H44.9 B Cl2.9 F2 N3 -","- C201.8 H179.6 B4 Cl11.6 F8 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.1108","0.0935","","","0.2579","0.2764","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520445","9.594","0.002","8.7428","0.0017","21.526","0.006","90","","100.795","0.008","90","","1773.6","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F2 N3 -","- C23 H18 B F2 N3 -","- C92 H72 B4 F8 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0329","0.0314","","","0.0858","0.0876","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520446","18.773","0.002","7.8448","0.0005","20.3148","0.0019","90","","90","","90","","2991.8","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H15 N O2 S2 -","- C16 H15 N O2 S2 -","- C128 H120 N8 O16 S16 -","8","2","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.1094","0.0928","","","0.2179","0.2402","","","","","","1.086","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520447","15.7817","0.0019","13.0488","0.0012","7.2719","0.0007","90","","92.391","0.009","90","","1496.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O2 S2 -","- C16 H14 F N O2 S2 -","- C64 H56 F4 N4 O8 S8 -","4","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.1406","0.1243","","","0.3279","0.3357","","","","","","1.172","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520448","9.7686","0.0008","10.4236","0.001","16.0412","0.0015","90.974","0.008","91.846","0.007","107.681","0.008","1554.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C64 H60 N4 O12 S8 -","4","2","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.0745","0.0465","","","0.0916","0.104","","","","","","1.031","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520449","7.38023","0.00019","12.875","0.0003","31.8273","0.0008","90","","90","","90","","3024.24","0.13","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O2 S Se -","- C16 H15 N O2 S Se -","- C128 H120 N8 O16 S8 Se8 -","8","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0425","0.0404","","","0.1104","0.1125","","","","","","1.092","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520450","6.63588","0.00015","12.9255","0.0003","19.0476","0.0004","90","","93.665","0.002","90","","1630.41","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 S2 -","- C17 H17 N O2 S2 -","- C68 H68 N4 O8 S8 -","4","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0415","0.0391","","","0.1054","0.1076","","","","","","1.046","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520451","12.149","0.004","7.34","0.003","16.53","0.006","90","","101.456","0.004","90","","1444.7","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C80 H64 N4 -","2","0.5","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Nishida, Takanori; Wakamatsu, Kan; Uejima, Motoyuki; Sato, Tohru; Tanaka, Kazuyoshi; Machida, Norihiko; Akashi, Haruo; Orita, Akihiro; Otera, Junzo","One-Shot Double Amination of Sondheimer-Wong Diynes: Synthesis of Photoluminescent Dinaphthopentalenes.","Organic letters","2015","17","12","3014","3017","10.1021/acs.orglett.5b01293","","","0.71075","MoKα","","","0.0458","","","","0.1068","","","","","","0.935","","","","has coordinates","140274","2020-10-21","18:00:00",""
"1520452","3.9114","0.0004","20.5945","0.0006","22.458","0.001","90","","91.758","0.006","90","","1808.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N4 O -","- C24 H17 N4 O -","- C96 H68 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0414","0.0378","","","0.0974","0.1009","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520453","11.7763","0.0013","5.828","0.0003","16.1543","0.0009","90","","104.773","0.006","90","","1072.06","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H19 N4 O -","- C28 H19 N4 O -","- C56 H38 N8 O2 -","2","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0741","0.0576","","","0.1505","0.1681","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520454","7.474","0.0008","9.2641","0.0005","35.865","0.0018","90","","91.227","0.005","90","","2482.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O -","- C32 H26 N4 O -","- C128 H104 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.0559","0.0418","","","0.0967","0.1051","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520455","11.2158","0.0003","10.0647","0.0003","24.8459","0.0006","90","","97.414","0.002","90","","2781.25","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O -","- C36 H28 N4 O -","- C144 H112 N16 O4 -","4","1","","Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido","Profluorescent verdazyl radicals ‒ synthesis and characterization","Chem. Sci.","2015","6","8","4712","","10.1039/C5SC00724K","","","1.54178","CuKα","","0.051","0.0472","","","0.1397","0.145","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520456","9.1964","0.001","13.4028","0.0016","15.611","0.0017","90","","90","","90","","1924.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N O2 -","- C21 H17 Br F3 N O2 -","- C84 H68 Br4 F12 N4 O8 -","4","1","","Zhang, Xiao; Liu, Wen-Bo; Tu, Hang-Fei; You, Shu-Li","Ligand-enabled Ir-catalyzed intermolecular diastereoselective and enantioselective allylic alkylation of 3-substituted indoles","Chem. Sci.","2015","6","8","4525","","10.1039/C5SC01772F","","","0.71073","MoKα","","0.0963","0.0419","","","0.0797","0.0953","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520484","11.5994","0.0004","17.3406","0.0007","20.277","0.0009","90","","101.616","0.004","90","","3995","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 N2 O5 Y -","- C42 H59 N2 O5 Y -","- C168 H236 N8 O20 Y4 -","4","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.0871","0.048","","","0.0838","0.0947","","","","","","1.012","","","","has coordinates","140197","2020-10-21","18:00:00",""
"1520485","11.6286","0.0017","17.386","0.002","20.275","0.003","90","","101.788","0.003","90","","4012.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 N2 O5 Yb -","- C42 H59 N2 O5 Yb -","- C168 H236 N8 O20 Yb4 -","4","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71075","MoKα","","0.0718","0.0567","","","0.1261","0.1352","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520486","11.801","0.002","20.57","0.004","18.885","0.004","90","","104.53","0.03","90","","4437.6","1.6","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 Cl4 N2 O5 Y -","- C42 H55 Cl4 N2 O5 Y -","- C168 H220 Cl16 N8 O20 Y4 -","4","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.0779","0.0456","","","0.084","0.0944","","","","","","1.015","","","","has coordinates","140197","2020-10-21","18:00:00",""
"1520487","24.1809","0.0005","15.0796","0.0003","25.3731","0.0005","90","","102.719","0.002","90","","9025","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 Cl4 N2 O4 Yb -","- C45 H55 Cl4 N2 O4 Yb -","- C360 H440 Cl32 N16 O32 Yb8 -","8","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.0434","0.0351","","","0.0841","0.0884","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520488","10.5853","0.0004","12.7151","0.0005","19.2574","0.0007","89.476","0.003","76.593","0.003","74.104","0.003","2420.77","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H75 N2 O3 Y -","- C50 H75 N2 O3 Y -","- C100 H150 N4 O6 Y2 -","2","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.0695","0.0465","","","0.0926","0.1001","","","","","","1.016","","","","has coordinates,has disorder","140197","2020-10-21","18:00:00",""
"1520489","11.1518","0.0004","14.3086","0.0006","14.3249","0.0005","110.668","0.003","112.05","0.003","101.601","0.003","1829.7","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Cl4 N2 O4 Yb -","- C36 H43 Cl4 N2 O4 Yb -","- C72 H86 Cl8 N4 O8 Yb2 -","2","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.0396","0.0363","","","0.0944","0.0963","","","","","","1.131","","","","has coordinates","140197","2020-10-21","18:00:00",""
"1520490","15.7733","0.0007","17.1095","0.0011","20.0984","0.0011","93.832","0.005","99.873","0.004","110.235","0.005","4967","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H141 N4 O6 Y2 -","- C101 H126 N4 O6 Y2 -","- C202 H252 N8 O12 Y4 -","2","1","","Gu, Weikai; Xu, Pengfei; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Shen, Qi","Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties forrac-Lactide Polymerization","Organometallics","2015","34","12","2907","","10.1021/acs.organomet.5b00223","","","0.71073","MoKα","","0.212","0.0991","","","0.238","0.3003","","","","","","1.014","","","","has coordinates,has disorder","140197","2020-10-21","18:00:00",""
"1520491","11.2497","0.0008","12.373","0.0009","20.0241","0.0015","95.185","0.002","106.067","0.002","94.622","0.002","2651.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 N4 O4 -","- C60 H74 N4 O4 -","- C120 H148 N8 O8 -","2","1","","Xia, Debin; Marszalek, Tomasz; Li, Mengmeng; Guo, Xin; Baumgarten, Martin; Pisula, Wojciech; Müllen, Klaus","Solution-Processable n-Type Organic Semiconductors Based on Angular-Shaped 2-(12H-Dibenzofluoren-12-ylidene)malononitrilediimide.","Organic letters","2015","17","12","3074","3077","10.1021/acs.orglett.5b01343","","","0.71073","MoKα","","0.3286","0.1263","","","0.3364","0.4384","","","","","","1.018","","","","has coordinates","140279","2020-10-21","18:00:00",""
"1520492","7.24","0.006","11.439","0.01","29.79","0.03","90","","90","","90","","2467","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C104 H80 Cl8 N24 O16 -","8","1","","Xia, Guomin; Ruan, Chengyan; Wang, Hongming","Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies.","The Analyst","2015","140","15","5099","5104","10.1039/c5an00947b","","","0.71073","MoKα","","0.0435","0.03","","","0.0756","0.0823","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1520493","11.0341","0.0004","12.5779","0.0004","13.0044","0.0005","82.865","0.002","88.796","0.002","66.687","0.002","1643.85","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj274","","","- C30 H26 Co F6 N6 O7 S2 -","- C30 H26 Co F6 N6 O7 S2 -","- C60 H52 Co2 F12 N12 O14 S4 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0523","0.0373","","","0.0761","0.0832","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520494","13.0156","0.0007","12.7488","0.0007","22.3963","0.0012","90","","92.294","0.001","90","","3713.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj284","","","- C29 H35 F6 N7 O12 S2 Zn -","- C29 H35 F6 N7 O12 S2 Zn -","- C116 H140 F24 N28 O48 S8 Zn4 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0417","0.04","","","0.1066","0.1081","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520495","12.4657","0.0011","15.6171","0.0014","21.316","0.0019","90","","91.047","0.001","90","","4149.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jwj273","","","- C36 H42 Co F6 N6 O11 S2 -","- C36 H42 Co F6 N6 O11 S2 -","- C144 H168 Co4 F24 N24 O44 S8 -","4","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0307","0.0288","","","0.0723","0.0737","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520496","14.707","0.003","21.388","0.004","25.657","0.005","67.683","0.003","75.282","0.003","89.683","0.003","7184","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj278","","","- C30 H30 F6 N6 O11 S2 Zn -","- C30 H30 F6 N6 O11 S2 Zn -","- C240 H240 F48 N48 O88 S16 Zn8 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0954","0.0603","","","0.1791","0.2152","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520497","11.0677","0.0005","13.3087","0.0006","13.5558","0.0006","71.591","0.001","78.668","0.001","67.235","0.001","1740.65","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj279","","","- C30 H32.5 F6 N6 O10 S2 Zn -","- C30 H32.5 F6 N6 O10 S2 Zn -","- C60 H65 F12 N12 O20 S4 Zn2 -","2","1","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0408","0.0341","","","0.0814","0.0856","","","","","","1.054","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520498","13.2461","0.0004","20.9848","0.0006","26.9609","0.0008","111.361","0.001","96.713","0.001","94.455","0.001","6872.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","jwj280","","","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C29 H27.5 Co F6 N7 O9.25 S2 -","- C232 H220 Co8 F48 N56 O74 S16 -","8","4","","Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J.","Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water","Chem. Sci.","2015","6","8","4954","","10.1039/C5SC01414J","","","0.71073","MoKα","","0.0741","0.0579","","","0.1369","0.1488","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520499","10.4996","0.0004","13.3012","0.0005","13.4802","0.0006","80.434","0.002","82.981","0.002","86.221","0.002","1840.52","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.35 H42.46 Cl2 N6 O3.88 Ru -","- C37.35 H32 Cl2 N6 O3.88 Ru -","- C74.7 H64 Cl4 N12 O7.76 Ru2 -","2","1","","Tong, Lianpeng; Zong, Ruifa; Zhou, Rongwei; Kaveevivitchai, Nattawut; Zhang, Gang; Thummel, Randolph P.","Ruthenium catalysts for water oxidation involving tetradentate polypyridine-type ligands.","Faraday discussions","2015","185","","87","104","10.1039/c5fd00051c","","","1.54178","CuKα","","0.0395","0.0378","","","0.1018","0.1039","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520502","22.674","0.003","10.0584","0.0012","13.4593","0.0016","90","","99.514","0.009","90","","3027.4","0.7","372","2","372","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 F4 N4 O4 -","- C37 H20 F4 N4 O4 -","- C148 H80 F16 N16 O16 -","4","1","","Zhang, Jian; Jin, Jianyong; Cooney, Ralph; Fu, Qiang; Qiao, Greg G.; Thomas, Sylvie; Merkel, Tim C.","Synthesis of perfectly alternating copolymers for polymers of intrinsic microporosity","Polym. Chem.","2015","6","28","5003","","10.1039/C5PY00570A","","","0.71073","MoKα","","0.1625","0.0728","","","0.1649","0.2117","","","","","","1.011","","","","has coordinates","143771","2020-10-21","18:00:00",""
"1520504","10.699","0.001","11.726","0.0011","22.2683","0.0012","94.284","0.006","101.795","0.006","109.369","0.008","2549","0.4","291.64","0.1","291.64","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C120 H96 I6 N6 O6 -","6","3","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","","0.71073","MoKα","","0.1024","0.0555","","","0.1157","0.1481","","","","","","1.032","","","","has coordinates","140275","2020-10-21","18:00:00",""
"1520505","7.2355","0.0005","20.9295","0.0019","23.0167","0.0015","90","","90","","90","","3485.5","0.5","293.1","0.12","293.1","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C160 H128 I8 N8 O8 -","8","1","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","x-ray","0.71073","MoKα","","0.1076","0.0639","","","0.1407","0.1839","","","","","","1.032","","","","has coordinates","140275","2020-10-21","18:00:00",""
"1520506","21.692","0.008","4.8468","0.0016","28.611","0.01","90","","111.442","0.016","90","","2799.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl4 N2 O2 Zn -","- C30 H24 Cl4 N2 O2 Zn -","- C120 H96 Cl16 N8 O8 Zn4 -","4","0.5","","Men, Guangwen; Chen, Chunrong; Liang, Chunshuang; Han, Wenkun; Jiang, Shimei","A novel cascade strategy with supramolecular and chemodosimetric methods for designing a fluorescent ratiometric detector hypersensitive to trace water.","The Analyst","2015","140","16","5454","5458","10.1039/c5an00917k","","","0.71073","MoKα","","0.0374","0.0297","","","0.0781","0.0825","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520507","4.7746","0.0003","5.4698","0.0003","44.772","0.003","91.162","0.005","91.821","0.005","96.985","0.005","1159.66","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H86 N4 O6 -","- C42 H86 N4 O6 -","- C42 H86 N4 O6 -","1","0.5","","Zhong, Di-Chang; Liao, Lie-Qiang; Wang, Ke-Jun; Liu, Hui-Jin; Luo, Xu-Zhong","Heat-set gels formed from easily accessible gelators of a succinamic acid derivative (SAD) and a primary alkyl amine (R-NH2).","Soft matter","2015","11","32","6386","6392","10.1039/c5sm01305d","","","0.71073","MoKα","","0.1219","0.083","","","0.2115","0.2365","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520513","7.4014","0.0009","30.606","0.004","7.739","0.001","90","","100.806","0.003","90","","1722","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 -","- C24 H24 -","- C96 H96 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0751","0.0478","","","0.1081","0.12","","","","","","1.04","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520514","11.2988","0.0018","5.7063","0.0009","14.045","0.002","90","","102.129","0.004","90","","885.3","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H24 O4 S -","- C20 H24 O4 S -","- C40 H48 O8 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0292","0.0275","","","0.0662","0.067","","","","","","1.042","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520515","22.419","0.008","52.094","0.018","7.523","0.003","90","","90","","90","","8786","6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C400 H464 N16 O80 S16 -","16","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0948","0.0663","","","0.1327","0.1413","","","","","","1.099","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520516","30.166","0.004","11.6914","0.0015","14.2065","0.0018","90","","113.297","0.003","90","","4601.9","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C200 H232 N8 O40 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0591","0.039","","","0.0971","0.1075","","","","","","1.022","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520517","8.4903","0.001","9.6656","0.0011","18.663","0.002","90","","90","","90","","1531.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F O -","- C19 H19 F O -","- C76 H76 F4 O4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0455","0.0346","","","0.0738","0.0781","","","","","","1.034","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520518","31.617","0.014","15.428","0.007","14.478","0.006","90","","101.899","0.005","90","","6910","5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 N3 O4 -","- C43 H41 N3 O4 -","- C344 H328 N24 O32 -","8","2","","Zhang, Feng-Lian; Zhu, Xu; Chiba, Shunsuke","Tf~2~NH-Catalyzed Amide Synthesis from Vinyl Azides and Alcohols","Organic Letters","2015","17","12","3138","3141","10.1021/acs.orglett.5b01458","","","0.71073","MoKα","","0.1227","0.0834","","","0.2157","0.2538","","","","","","1.045","","","","has coordinates","180537","2020-10-21","18:00:00",""
"1520519","7.9023","0.0018","12.49","0.003","12.9","0.003","90","","90","","90","","1273.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C52 H48 Cl4 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Catalytic Activity of epi-Quinine-Derived 3,5-Bis(trifluoromethyl)benzamide in Asymmetric Nitro-Michael Reaction of Furanones.","Organic letters","2015","17","12","3026","3029","10.1021/acs.orglett.5b01224","","","0.7107","MoKα","","0.0474","0.0431","","","0.0847","0.0865","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520520","8.745","0.003","10.225","0.003","20.19","0.008","89.48","0.02","86.38","0.02","65.669","0.014","1641.4","1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 B F2 N3 O4 -","- C39 H40 B F2 N3 O4 -","- C78 H80 B2 F4 N6 O8 -","2","1","","Hiruta, Yuki; Koiso, Hikaru; Ozawa, Hitoshi; Sato, Hiroyasu; Hamada, Kensaku; Yabushita, Satoshi; Citterio, Daniel; Suzuki, Koji","Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene.","Organic letters","2015","17","12","3022","3025","10.1021/acs.orglett.5b01299","","","0.71075","MoKα","","0.1093","0.049","","","0.1009","0.1242","","","","","","0.984","","","","has coordinates","140273","2020-10-21","18:00:00",""
"1520521","8.776","0.002","10.567","0.003","19.225","0.006","84.193","0.008","82.204","0.007","69.585","0.006","1652.6","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H36.5 B Cl1.5 F2 N3 O4 -","- C37.5 H36.5 B Cl1.5 F2 N3 O4 -","- C75 H73 B2 Cl3 F4 N6 O8 -","2","1","","Hiruta, Yuki; Koiso, Hikaru; Ozawa, Hitoshi; Sato, Hiroyasu; Hamada, Kensaku; Yabushita, Satoshi; Citterio, Daniel; Suzuki, Koji","Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene.","Organic letters","2015","17","12","3022","3025","10.1021/acs.orglett.5b01299","","","0.71075","MoKα","","0.0875","0.0551","","","0.1257","0.149","","","","","","1.044","","","","has coordinates","140273","2020-10-21","18:00:00",""
"1520522","7.274","0.003","17.864","0.006","15.322","0.007","90","","100.332","0.016","90","","1958.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 N2 O2 -","- C46 H44 B2 N2 O2 -","- C92 H88 B4 N4 O4 -","2","0.5","","Kubota, Yasuhiro; Niwa, Takahiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis, Absorption, and Electrochemical Properties of Quinoid-Type Bisboron Complexes with Highly Symmetrical Structures.","Organic letters","2015","17","12","3174","3177","10.1021/acs.orglett.5b01547","","","0.71075","MoKα","","0.1184","0.0679","","","0.1562","0.1889","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520523","7.054","0.0013","17.672","0.004","13.751","0.003","90","","96.406","0.009","90","","1703.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B2 N2 O2 -","- C42 H36 B2 N2 O2 -","- C84 H72 B4 N4 O4 -","2","0.5","","Kubota, Yasuhiro; Niwa, Takahiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis, Absorption, and Electrochemical Properties of Quinoid-Type Bisboron Complexes with Highly Symmetrical Structures.","Organic letters","2015","17","12","3174","3177","10.1021/acs.orglett.5b01547","","","0.71075","MoKα","","0.0807","0.0553","","","0.1381","0.1572","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520524","21.3561","0.0004","19.4016","0.0003","14.9635","0.0002","90","","90","","90","","6200.01","0.17","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C53 H69 N6 O25 P2 Ru -","- C53 H56 N6 O25 P2 Ru -","- C212 H224 N24 O100 P8 Ru4 -","4","0.5","","Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L.","Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design","Chem. Sci.","2015","6","10","5531","","10.1039/C5SC01439E","","","1.54178","CuKα","","0.0778","0.068","","","0.1842","0.1922","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520525","12.956","0.003","13.122","0.003","13.752","0.003","84.973","0.003","67.595","0.003","83.245","0.003","2144.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34 H20 Co2 N2 O8 -","- C68 H40 Co4 N4 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0801","0.0534","","","0.127","0.1375","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520526","7.7116","0.0007","10.2889","0.001","11.0085","0.001","71.43","0.001","86.282","0.001","82.265","0.001","820.22","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.072","0.0492","","","0.1217","0.1331","","","","","","1.062","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520527","12.9698","0.0012","13.1304","0.0012","13.7579","0.0013","85.041","0.001","68.014","0.001","83.544","0.002","2156.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Co2 N2 O8 -","- C34.01 H20.008 Co2 N2.002 O8 -","- C68.02 H40.016 Co4 N4.004 O16 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0487","0.0391","","","0.0989","0.1023","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520528","7.6397","0.0012","10.4311","0.0017","10.9968","0.0018","71.121","0.012","87.061","0.012","83.361","0.012","823.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 Co N O4 -","- C17 H10 Co N O4 -","- C34 H20 Co2 N2 O8 -","2","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1276","0.0958","","","0.2632","0.2806","","","","","","1.087","","","","has coordinates,has disorder","153089","2020-10-21","18:00:00",""
"1520529","17.173","0.006","19.784","0.007","13.887","0.005","90","","95.771","0.004","90","","4694","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.0938","0.0615","","","0.1659","0.184","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520530","17.0391","0.0008","20.0278","0.001","13.8334","0.0007","90","","96.243","0.003","90","","4692.7","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Co3 N3 O12 -","- C51 H30 Co3 N3 O12 -","- C204 H120 Co12 N12 O48 -","4","1","","Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.","Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework","Chem. Sci.","2015","6","8","4986","","10.1039/C5SC01796C","","","0.71073","MoKα","","0.1141","0.0588","","","0.1373","0.1654","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520531","15.1341","0.0002","13.1528","0.0002","7.0537","0.0001","90","","98.591","0.002","90","","1388.33","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C52 H32 Br4 Mn4 N8 O20 -","4","1","","Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J.","FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes","Faraday Discuss.","2015","","","","","10.1039/C5FD00071H","","x-ray","0.71073","MoKα","","0.044","0.0359","","","0.0921","0.0962","","","","","","1.047","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520532","6.52291","0.00018","13.1864","0.0004","16.0537","0.0004","102.912","0.003","95.846","0.002","98.607","0.002","1317.59","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 Br Mn N2 O10 -","- C23 H26 Br Mn N2 O10 -","- C46 H52 Br2 Mn2 N4 O20 -","2","1","","Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J.","FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes","Faraday Discuss.","2015","","","","","10.1039/C5FD00071H","","x-ray","0.71073","MoKα","","0.0549","0.0396","","","0.081","0.0863","","","","","","1.028","","","","has coordinates,has disorder","139122","2020-10-21","18:00:00",""
"1520533","7.5962","0.0004","8.0111","0.0004","10.4017","0.0006","111.355","0.0006","93.168","0.0007","90.2112","0.0006","588.43","0.05","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0417","0.036","","","0.0944","0.0994","","","","","","1.049","","","","has coordinates","170999","2020-10-21","18:00:00",""
"1520534","7.9466","0.0005","14.9541","0.001","16.2556","0.0011","78.9198","0.0008","79.5663","0.0009","82.7612","0.0009","1856","0.2","88","2","88","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C80 H80 N16 O16 -","4","4","","Park, Jung-Woo; Kou, Kevin G. M.; Kim, Daniel K.; Dong, Vy M.","Rh-Catalyzed Desymmetrization of α-Quaternary Centers by Isomerization-Hydroacylation.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","4479","4483","10.1039/C5SC01553G","","","0.71073","MoKα","","0.0413","0.0377","","","0.0925","0.0955","","","","","","1.025","","","","has coordinates","170999","2020-10-21","18:00:00",""
"1520535","24.1082","0.0009","18.137","0.0007","16.7624","0.0007","90","","106.002","0.004","90","","7045.4","0.5","150","1","150","1","","","","","","","University of Manchester","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 N4 S2 -","- C41 H46 N4 S2 -","- C328 H368 N32 S16 -","8","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.71073","MoKα","","0.0855","0.0613","","0.1513","0.1366","0.1513","","","","","","0.9999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520536","41.594","0.0009","41.594","0.0009","13.1413","0.0006","90","","90","","90","","22735.2","1.2","149.99","0.19","149.99","0.19","","","","","","","University of Manchester","5","I 41/a :2","-I 4ad","88","","","","- C65 H64 B2 N4 S2 -","- C65 H64 B2 N4 S2 -","- C1040 H1024 B32 N64 S32 -","16","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","0.7107","MoKα","","0.0778","0.06","","0.1619","0.152","0.1619","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520537","14.5445","0.0003","22.7136","0.0006","19.7133","0.0005","90","","98.039","0.002","90","","6448.4","0.3","100","","100","","","","","","","","University of Manchester","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B2 F20 N4 O2 S2 -","- C71 H56 B2 F20 N4 O2 S2 -","- C284 H224 B8 F80 N16 O8 S8 -","4","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0992","0.0724","","0.2067","0.1884","0.2067","","","","","","0.9865","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520538","6.3487","0.0006","16.1168","0.0015","19.3671","0.0017","74.649","0.008","85.857","0.008","83.373","0.008","1896.4","0.3","220","","220","","","","","","","","University of Manchester","5","P -1","-P 1","2","","","","- C42 H49 B N2 S3 -","- C42 H49 B N2 S3 -","- C84 H98 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.1482","0.1185","","0.3498","0.3212","0.3498","","","","","","0.9336","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520539","6.524","0.0006","13.6675","0.0011","18.0034","0.0017","98.64","0.007","95.792","0.008","101.67","0.008","1539.9","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","6,6-dimethyl-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C32 H45 B N2 S3 -","- C32 H45 B N2 S3 -","- C64 H90 B2 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","x-ray","1.54184","CuKα","","0.1247","0.0868","","","0.2351","0.2689","","","","","","1.048","","","","has coordinates","171007","2020-10-21","18:00:00",""
"1520540","10.2773","0.0004","12.1331","0.0004","14.8059","0.0004","65.908","0.002","79.793","0.002","68.09","0.002","1563","0.1","250","","250","","","","","","","","University of Manchester","6","P -1","-P 1","2","","6,6-dibromo-8-octyl-3-(5-octylthiophen-2-yl)-6H-5,9-dithia-4,5al4-diaza-6l4-boracyclopenta[e]acenaphthylene","","- C30 H39 B Br2 N2 S3 -","- C30 H39 B Br2 N2 S3 -","- C60 H78 B2 Br4 N4 S6 -","2","1","","Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L.","Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation","Chem. Sci.","2015","6","9","5144","","10.1039/C5SC01800E","","","1.5418","CuKα","","0.0739","0.0662","","0.1739","0.1625","0.1734","","","","","","0.9579","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520542","6.62144","0.00014","20.1343","0.0004","9.362","0.0002","90","","100.915","0.002","90","","1225.54","0.04","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C64 H50 N2 O8 -","2","1","","Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei","Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives.","Organic letters","2015","17","13","3206","3209","10.1021/acs.orglett.5b01066","","x-ray","1.54184","CuKα","","0.0336","0.0312","","","0.0776","0.0796","","","","","","1.026","","","","has coordinates","140259","2020-10-21","18:00:00",""
"1520543","8.3781","0.0002","14.3827","0.0002","19.3153","0.0003","90","","90","","90","","2327.49","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Au Br F3 P -","- C25 H20 Au Br F3 P -","- C100 H80 Au4 Br4 F12 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0253","0.0234","","","0.0542","0.0549","","","","","","1.062","","","","has coordinates","170928","2020-10-21","18:00:00",""
"1520544","11.2208","0.0016","16.168","0.003","17.031","0.003","90","","108.049","0.019","90","","2937.7","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Au2 Br Cl2 F6 P -","- C27 H22 Au2 Br Cl2 F6 P -","- C108 H88 Au8 Br4 Cl8 F24 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","x-ray","0.71073","MoKα","","0.1135","0.0813","","","0.2471","0.2633","","","","","","1.06","","","","has coordinates,has disorder","170928","2020-10-21","18:00:00",""
"1520545","11.61","0.0003","23.9064","0.0007","11.1568","0.0003","90","","97.975","0.003","90","","3066.66","0.15","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H40 Au6 Br2 F18 O2 P2 -","- C56 H40 Au6 Br2 F18 O2 P2 -","- C112 H80 Au12 Br4 F36 O4 P4 -","2","0.25","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0432","0.0337","","","0.0849","0.0877","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520546","4.9476","","3.3787","","8.7479","","90","","97.617","","90","","144.944","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- S3 Ti -","- S3 Ti -","- S6 Ti2 -","2","0.5","","Lipatov, Alexey; Wilson, Peter M.; Shekhirev, Mikhail; Teeter, Jacob D.; Netusil, Ross; Sinitskii, Alexander","Few-layered titanium trisulfide (TiS3) field-effect transistors.","Nanoscale","2015","7","29","12291","12296","10.1039/c5nr01895a","","x-ray","0.71073","MoKα","","0.1771","0.1252","","","0.1463","0.1545","","","","2.56","2.56","2.13","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520547","9.4128","0.0007","9.6074","0.0008","12.0794","0.0009","97.999","0.007","97.992","0.006","108.357","0.007","1007.08","0.15","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 S -","- C25 H24 S -","- C50 H48 S2 -","2","1","","Zhang, Hang; Wang, Bo; Yi, Heng; Zhang, Yan; Wang, Jianbo","Rh(II)-Catalyzed [2,3]-Sigmatropic Rearrangement of Sulfur Ylides Derived from Cyclopropenes and Sulfides.","Organic letters","2015","17","13","3322","3325","10.1021/acs.orglett.5b01542","","","0.7107","MoKα","","0.0659","0.0483","","","0.1219","0.1383","","","","","","1.067","","","","has coordinates","140256","2020-10-21","18:00:00",""
"1520552","15.3809","0.0006","11.5149","0.0006","17.7975","0.0008","90","","90.677","0.002","90","","3151.9","0.2","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 N12 -","- C36 H22 N12 -","- C144 H88 N48 -","4","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0574","0.0451","","","0.1177","0.1231","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520553","21.689","0.004","29.869","0.005","10.7143","0.0019","90","","90","","90","","6941","2","110","2","110","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C35 H19 F4 N6 O2 P -","- C35 H19 F4 N6 O2 P -","- C280 H152 F32 N48 O16 P8 -","8","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0984","0.063","","","0.1414","0.1542","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520554","12.3996","0.0011","15.4999","0.0013","21.5037","0.0019","90","","97.248","0.004","90","","4099.8","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co F4 N8 -","- C51 H33 Co F4 N8 -","- C204 H132 Co4 F16 N32 -","4","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0442","0.033","","","0.0734","0.0783","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1520555","16.3504","0.0016","14.9527","0.0015","9.2389","0.0009","90","","92.387","0.005","90","","2256.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-di(4-pyridyl)naphthocyclobutane hydrobromide","cis-di(4-pyridyl)naphthocyclobutane hydrobromide","","- C24 H20 Br2 N2 -","- C24 H20 Br2 N2 -","- C96 H80 Br8 N8 -","4","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0698","0.0606","","","0.1346","0.1375","","","","","","1.22","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520556","9.4274","0.0009","12.3411","0.0012","15.5934","0.0016","83.302","0.005","82.714","0.005","79.24","0.005","1759.9","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","DEPN","1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","2","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.2015","0.1283","","","0.3784","0.4149","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520557","14.33","0.0015","10.8862","0.0011","17.8919","0.0018","90","","110.048","0.005","90","","2622","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag tosylate DEPN","Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C62 H50 Ag2 N4 O6 S2 -","- C62 H50 Ag2 N4 O6 S2 -","- C124 H100 Ag4 N8 O12 S4 -","2","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0803","0.04","","","0.0898","0.1085","","","","","","0.93","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520558","10.3809","0.0011","10.9748","0.0011","11.0438","0.0012","109.43","0.005","98.185","0.005","97.328","0.005","1153.7","0.2","210","2","210","2","","","","","","","","7","P -1","-P 1","2","Ag triflate DEPN","Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","1","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0377","0.0296","","","0.0818","0.0884","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520559","10.4495","0.001","11.0503","0.0011","11.0576","0.0011","109.671","0.005","96.586","0.005","97.962","0.005","1172.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Ag triflate DEPN","Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","1","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0432","0.0323","","","0.0762","0.0822","","","","","","1.129","","","","has coordinates,has disorder","152906","2020-10-21","18:00:00",""
"1520560","14.369","0.003","10.925","0.002","18.106","0.004","90","","110.574","0.005","90","","2661","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag tosylate DEPN","Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C62 H50 Ag2 N4 O6 S2 -","- C62 H50 Ag2 N4 O6 S2 -","- C124 H100 Ag4 N8 O12 S4 -","2","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.1674","0.0657","","","0.1428","0.196","","","","","","0.903","","","","has coordinates","152906","2020-10-21","18:00:00",""
"1520561","11.2709","0.0006","11.7647","0.0006","20.1194","0.0009","88.271","0.004","83.035","0.003","86.352","0.004","2642.1","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H58 F6 O14 S2 -","- C51 H58 F6 O14 S2 -","- C102 H116 F12 O28 S4 -","2","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.1483","0.096","","","0.2518","0.2897","","","","","","1.075","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520562","11.616","0.0003","18.2419","0.0005","11.617","0.0003","90","","94.1589","0.0015","90","","2455.14","0.11","100","2","99.98","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C46 H46 Cl2 F6 O14 S2 -","- C46 H46 Cl2 F6 O14 S2 -","- C92 H92 Cl4 F12 O28 S4 -","2","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.0484","0.0471","","","0.1249","0.1264","","","","","","1.041","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520563","35.9931","0.0011","12.0648","0.0004","11.369","0.0004","90","","90","","90","","4937","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48.75 H55.04 Cl2.25 F3 O12 S -","- C48.747 H54.93 Cl2.252 F3 O12 S -","- C194.988 H219.72 Cl9.008 F12 O48 S4 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.0752","0.075","","","0.2026","0.2029","","","","","","1.156","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520564","11.3045","0.0007","12.1357","0.0007","37.187","0.002","90","","90","","90","","5101.6","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 F6 O14 S2 -","- C51 H58 F6 O14 S2 -","- C204 H232 F24 O56 S8 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.0713","0.0536","","","0.123","0.1318","","","","","","1.047","","","","has coordinates","140261","2020-10-21","18:00:00",""
"1520565","22.0373","0.001","11.9982","0.0005","22.7155","0.001","90","","110.288","0.003","90","","5633.5","0.4","100","2","100.08","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C204 H220 F36 O64 S12 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.1054","0.0854","","","0.2322","0.2482","","","","","","1.041","","","","has coordinates","140261","2020-10-21","18:00:00",""
"1520566","20.6289","0.0011","22.2856","0.0013","24.1696","0.0014","90","","90","","90","","11111.4","1.1","100","2","99.96","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C408 H440 F72 O128 S24 -","8","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.1801","0.1169","","","0.3006","0.3487","","","","","","1.093","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520572","8.6734","0.0006","11.1397","0.0007","11.8133","0.0008","92.575","0.002","96.635","0.002","108.711","0.002","1069.74","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H56 O19 -","- C43 H56 O19 -","- C43 H56 O19 -","1","0.5","","Lai, Yongji; Liu, Tingting; Sa, Rongjian; Wei, Xialan; Xue, Yongbo; Wu, Zhaodi; Luo, Zengwei; Xiang, Ming; Zhang, Yonghui; Yao, Guangmin","Neolignans with a Rare 2-Oxaspiro[4.5]deca-6,9-dien-8-one Motif from the Stem Bark of Cinnamomum subavenium.","Journal of natural products","2015","78","7","1740","1744","10.1021/np5010533","","","1.54178","CuKα","","0.0819","0.0583","","","0.1094","0.1376","","","","","","1.018","","","","has coordinates,has disorder","154670","2020-10-21","18:00:00",""
"1520573","6.1669","0.0002","12.182","0.0003","17.8605","0.0006","90","","90","","90","","1341.77","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5-dimethyl-2-phenyl-4-(thiophen-2-yl)pyridine","","- C17 H15 N S -","- C17 H15 N S -","- C68 H60 N4 S4 -","4","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","1.5418","CuKα","","0.0368","0.0339","","0.088","0.0854","0.088","","","","","","0.9323","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520574","7.4565","0.0001","18.3137","0.0002","20.6855","0.0003","90","","90","","90","","2824.73","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-methoxyphenyl)-3-methyl-2-phenylpyridine","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","0.71073","MoKα","","0.0604","0.0421","","0.1211","0.102","0.1211","","","","","","0.9741","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520575","9.7773","0.0002","6.90436","0.00013","9.79548","0.00019","90","","98.985","0.002","90","","653.14","0.02","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C32 H30 N6 -","2","0.5","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","The Aryne aza-Diels-Alder Reaction: Flexible Syntheses of Isoquinolines.","Organic letters","2015","17","13","3374","3377","10.1021/acs.orglett.5b01704","","x-ray","1.54184","CuKα","","0.0563","0.0555","","","0.1358","0.1373","","","","","","1.123","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1520576","14.0946","0.0002","11.4421","0.0002","9.74761","0.00017","90","","99.2056","0.0017","90","","1551.77","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","The Aryne aza-Diels-Alder Reaction: Flexible Syntheses of Isoquinolines.","Organic letters","2015","17","13","3374","3377","10.1021/acs.orglett.5b01704","","x-ray","1.54184","CuKα","","0.0479","0.0421","","","0.1084","0.1158","","","","","","1.018","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520577","10.1756","0.0004","12.2477","0.0005","13.4918","0.0006","90","","90","","90","","1681.45","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teotihuacanin","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Fragoso-Serrano, Mabel; Toscano, Rubén A; García-Peña, María Del Rosario; Ortega, Alfredo","Teotihuacanin, a Diterpene with an Unusual Spiro-10/6 System from Salvia amarissima with Potent Modulatory Activity of Multidrug Resistance in Cancer Cells.","Organic letters","2015","17","13","3280","3282","10.1021/acs.orglett.5b01320","","","1.54178","CuKα","","0.0525","0.0421","","","0.1006","0.1066","","","","","","1.062","","","","has coordinates","141399","2020-10-21","18:00:00",""
"1520578","14.1016","0.0005","14.4022","0.0006","20.4554","0.0009","94.939","0.004","95.386","0.003","119.157","0.004","3570.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H57 Cu3 N38 O22.5 -","- C56 H56 Cu3 N38 O22.5 -","- C112 H112 Cu6 N76 O45 -","2","1","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.058","0.0401","","","0.0912","0.1021","","","","","","1.047","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520579","14.4651","0.0005","19.3815","0.0006","14.1054","0.0005","90","","90.991","0.003","90","","3953.9","0.2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 B6 Cu4 F8 N4 O17 -","- C24 H48 B6 Cu4 F8 N4 O17 -","- C96 H192 B24 Cu16 F32 N16 O68 -","4","0.5","","Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.","Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes","Catal. Sci. Technol.","2015","5","8","4108","","10.1039/C5CY00462D","","","0.71073","MoKα","","0.0423","0.0342","","","0.0802","0.0848","","","","","","1.031","","","","has coordinates,has disorder","153062","2020-10-21","18:00:00",""
"1520580","13.8521","0.0002","24.7127","0.0003","22.886","0.0004","90","","93.263","0.001","90","","7821.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H118 Al3 N6 O6 -","- C84 H118 Al3 N6 O6 -","- C336 H472 Al12 N24 O24 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0763","0.0477","","","0.1079","0.1224","","","","","","1.015","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520581","9.9462","0.0012","10.3018","0.0011","12.8708","0.0015","90","","108.547","0.014","90","","1250.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Al N2 O2 -","- C27 H37 Al N2 O2 -","- C54 H74 Al2 N4 O4 -","2","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0463","0.0382","","","0.0795","0.0828","","","","","","1.028","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520582","8.0191","0.0002","13.4769","0.0003","25.379","0.0008","90","","90","","90","","2742.77","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C116 H164 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0442","0.0388","","","0.0923","0.0945","","","","","","1.055","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520583","16.6845","0.001","19.6643","0.001","12.0401","0.0007","90","","99.106","0.006","90","","3900.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Al N2 O3 -","- C41 H65 Al N2 O3 -","- C164 H260 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.1342","0.0773","","","0.1651","0.2001","","","","","","1.052","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520584","14.0484","0.0001","13.4118","0.0001","16.8344","0.0001","90","","101.404","0.001","90","","3109.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0427","0.0394","","","0.1042","0.1081","","","","","","1.042","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520585","10.3884","0.0001","10.3884","0.0001","28.732","0.0004","90","","90","","90","","3100.72","0.06","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0851","0.0845","","","0.2228","0.2237","","","","","","1.065","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520586","10.39461","0.00005","10.39461","0.00005","28.7569","0.0002","90","","90","","90","","3107.12","0.03","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0539","0.0539","","","0.1366","0.1367","","","","","","1.04","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520587","26.2561","0.0001","26.2561","0.0001","26.2561","0.0001","90","","90","","90","","18100.5","0.12","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C31 H45.67 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C696 H984 Al24 N48 O72 -","24","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0633","0.0588","","","0.1671","0.1716","","","","","","1.101","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1520588","13.7916","0.0002","12.9946","0.0002","17.548","0.0003","90","","102.79","0.002","90","","3066.86","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 O4 Ti -","- C32 H48 N2 O4 Ti -","- C128 H192 N8 O16 Ti4 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0632","0.0599","","","0.1651","0.1698","","","","","","1.037","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520589","12.658","0.007","10.48","0.006","18.889","0.008","90","","127","0.03","90","","2001","2","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C45 H70 Th -","- C45 H70 Th -","- C90 H140 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0783","0.0598","","","0.1288","0.1449","","","","","","1.034","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520590","10.699","0.003","26.148","0.006","17.831","0.004","90","","98.273","0.005","90","","4936","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Th -","- C48 H74 Th -","- C192 H296 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0957","0.0561","","","0.112","0.126","","","","","","0.976","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520591","10.468","0.003","11.297","0.003","18.569","0.005","80.098","0.005","82.085","0.004","78.986","0.005","2110.8","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H72 Th -","- C49 H72 Th -","- C98 H144 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.058","0.0462","","","0.0943","0.1005","","","","","","0.995","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520592","11.109","0.002","21.888","0.005","21.958","0.005","97.052","0.004","90.196","0.004","90.925","0.004","5298","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 N Th -","- C53 H73 N Th -","- C212 H292 N4 Th4 -","4","2","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.1105","0.0822","","","0.2043","0.2183","","","","","","1.031","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520593","15.278","0.003","12.306","0.003","25.718","0.005","90","","90.308","0.004","90","","4835.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H73 N O Th -","- C53 H73 N O Th -","- C212 H292 N4 O4 Th4 -","4","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0377","0.029","","","0.0648","0.0679","","","","","","1.022","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520594","10.9616","0.0016","11.0914","0.0017","20.157","0.003","77.206","0.003","84.115","0.002","75.93","0.002","2315.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 N O Th -","- C52 H77 N O Th -","- C104 H154 N2 O2 Th2 -","2","1","","Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study","Chem. Sci.","2015","6","8","4897","","10.1039/C5SC01684C","","","0.71073","MoKα","","0.0646","0.0536","","","0.1229","0.1281","","","","","","1.024","","","","has coordinates","153077","2020-10-21","18:00:00",""
"1520595","7.9384","0.0005","7.0246","0.0005","12.9394","0.0008","90","","98.464","0.004","90","","713.7","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","EM03-093B","sarpong38","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C30 H40 N4 O6 -","2","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.0403","0.039","","","0.1064","0.1078","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520596","8.7961","0.0004","9.7026","0.0005","35.0914","0.0018","90","","90","","90","","2994.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EM07-137C","sarpong107","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.066","0.0628","","","0.1563","0.1589","","","","","","1.055","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520597","9.3918","0.0009","13.5329","0.0015","51.624","0.005","90","","90","","90","","6561.3","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C320 H240 Cl20 N20 O20 -","20","5","","Pedroni, J.; Saget, T.; Donets, P. A.; Cramer, N.","Enantioselective palladium(0)-catalyzed intramolecular cyclopropane functionalization: access to dihydroquinolones, dihydroisoquinolones and the BMS-791325 ring system","Chem. Sci.","2015","6","9","5164","","10.1039/C5SC01909E","","","0.71073","MoKα","","0.0373","0.0329","","","0.0669","0.0693","","","","","","1.161","","","","has coordinates","171001","2020-10-21","18:00:00",""
"1520598","9.4109","0.0009","10.1841","0.001","11.6538","0.0012","91.036","0.006","102.694","0.006","116.006","0.006","970.92","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","- C40 H62 N2 Si2 -","1","0.5","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0908","0.0747","","","0.1935","0.2049","","","","","","1.064","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520599","9.269","0.007","17.342","0.01","11.775","0.011","90","","96.71","0.04","90","","1880","3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N O -","- C20 H31 N O -","- C80 H124 N4 O4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54188","","","0.027","0.024","","","","0.021","","","","","","2.192","","","","has coordinates","171005","2020-10-21","18:00:00",""
"1520600","12.8","0.03","13.86","0.04","14.36","0.02","66.45","0.07","79.9","0.04","67.84","0.09","2162","9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.6358","monochromatedX-raysbeamlineX10SA@SLS","","0.0843","0.0692","","","0.1814","0.193","","","","","","1.031","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1520601","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520602","14.6952","0.0006","10.08","0.0004","17.7472","0.0007","90","","109.567","0.002","90","","2477.04","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","carbene stabilized silicondislenide","","- C24 H39 N O Se2 Si -","- C24 H39 N O Se2 Si -","- C96 H156 N4 O4 Se8 Si4 -","4","1","","Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W.","A soluble molecular variant of the semiconducting silicondiselenide","Chem. Sci.","2015","6","9","5230","","10.1039/C5SC01516B","","","1.54178","CuKα","","0.0556","0.0393","","","0.0922","0.1002","","","","","","1.018","","","","has coordinates,has disorder","171005","2020-10-21","18:00:00",""
"1520611","13.8135","0.0004","13.3386","0.0004","14.0876","0.0004","90","","114.496","0.0011","90","","2362.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(2-(4-((4-fluorobenzyl)imino)-2,7-dimethyl-8-oxo-7,8-dihydro-4H-[1,3 dioxino[5,4-d]pyrimidin-6-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide","","- C22 H23 F N6 O5 -","- C22 H23 F N6 O5 -","- C88 H92 F4 N24 O20 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0498","0.042","","","0.1049","0.109","","","","","","1.06","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520612","9.4933","0.0018","11.2461","0.0019","24.486","0.004","90","","90","","90","","2614.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4- oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl) oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0387","0.0324","","","0.0745","0.0773","","","","","","1.026","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520613","11.2744","0.0003","9.4324","0.0003","25.6466","0.0007","90","","102.205","0.002","90","","2665.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4-oxadiazole-2-carboxamido) propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl)oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0706","0.0578","","","0.1526","0.161","","","","","","1.055","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520614","9.4141","0.0007","23.293","0.0014","9.0609","0.0006","90","","92.942","0.003","90","","1984.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(benzyl(3-((4-methoxyphenyl)ethynyl)oxetan-3-yl)amino)phenol","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Brady, Patrick B.; Carreira, Erick M.","Addition of Trifluoroborates to Oxetanyl N,O-Acetals: Entry into Spiro and Fused Saturated Heterocycles.","Organic letters","2015","17","13","3350","3353","10.1021/acs.orglett.5b01607","","x-ray","0.71073","MoKα","","0.0479","0.0388","","","0.0926","0.0987","","","","","","1.029","","","","has coordinates,has disorder","140260","2020-10-21","18:00:00",""
"1520615","8.0166","0.0006","15.8594","0.0012","11.2674","0.0009","90","","98.788","0.002","90","","1415.7","0.19","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Brady, Patrick B.; Carreira, Erick M.","Addition of Trifluoroborates to Oxetanyl N,O-Acetals: Entry into Spiro and Fused Saturated Heterocycles.","Organic letters","2015","17","13","3350","3353","10.1021/acs.orglett.5b01607","","x-ray","0.71073","MoKα","","0.0523","0.0434","","","0.1039","0.109","","","","","","1.035","","","","has coordinates,has disorder","140260","2020-10-21","18:00:00",""
"1520616","11.364","0.005","10.93","0.005","24.447","0.005","90","0.005","96.564","0.005","90","0.005","3017","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O5 -","- C37 H31 N O5 -","- C148 H124 N4 O20 -","4","1","","Mo, Lei; Wu, Lin-Lin; Wang, Shaozhong; Yao, Zhu-Jun","Efficient Synthesis of Octahydrophenanthrene Derivatives with Mild Cascade Reactions of Isochromenylium Tetrafluoroborates and Bifunctional Styrenes.","Organic letters","2015","17","13","3314","3317","10.1021/acs.orglett.5b01532","","","0.71069","MoKα","","0.0763","0.0453","","","0.1321","0.1617","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520617","11.7286","0.0008","15.6534","0.001","22.6519","0.0015","93.311","0.001","99.266","0.001","107.5","0.001","3889.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","3-NN-5-BrSali","3-trimethylethylenediaminomethyl- 5-bromosalicyldehyde","","- C41 H48 Br N7 O3 -","- C41 H48 Br N7 O3 -","- C164 H192 Br4 N28 O12 -","4","2","","Nair, Ratish R.; Raju, M.; Patel, Neha P.; Raval, Ishan H.; Suresh, E.; Haldar, Soumya; Chatterjee, Pabitra B.","Naked eye instant reversible sensing of Cu(2+) and its in situ imaging in live brine shrimp Artemia.","The Analyst","2015","140","16","5464","5468","10.1039/c5an00957j","","","0.71073","MoKα","","0.0611","0.0463","","","0.1255","0.1359","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520618","15.6111","0.0001","15.6111","0.0001","10.505","0.0001","90","","90","","90","","2560.14","0.03","150","","150","","","","","","","","","5","P -4","P -4","81","","","","- C56 H100 F N O4 -","- C56 H100 F N O4 -","- C112 H200 F2 N2 O8 -","2","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0574","","0.1565","0.1551","0.1565","","","","","","1.0106","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520619","9.9446","0.0003","18.0891","0.0007","15.7361","0.0006","90","","103.523","0.004","90","","2752.27","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl2 F N O4 -","- C22 H50 Cl2 F N O4 -","- C88 H200 Cl8 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0693","0.0572","","0.1507","0.1408","0.1507","","","","","","0.9859","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520620","9.9133","0.0001","17.3454","0.0003","18.3631","0.0003","90","","90","","90","","3157.54","0.08","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H60 F N O6 -","- C26 H60 F N O6 -","- C104 H240 F4 N4 O24 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0623","0.0431","","0.1057","0.0972","0.1057","","","","","","0.9619","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520621","22.5166","0.0001","14.2863","0.0001","19.8783","0.0001","90","","103.626","0.0005","90","","6214.47","0.06","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H60 F N O4 -","- C26 H60 F N O4 -","- C208 H480 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0582","0.0556","","0.1516","0.149","0.1516","","","","","","0.9944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520622","18.978","0.0002","24.2645","0.0002","10.3218","0.0001","90","","90","","90","","4753.1","0.08","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C38.39 H77.58 F N O12 -","- C38.388 H77.572 F N O12 -","- C153.552 H310.288 F4 N4 O48 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0675","0.0448","","0.0978","0.0884","0.0978","","","","","","0.9807","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520623","25.1923","0.0001","9.6565","0.0001","10.6715","0.0001","90","","92.2457","0.0005","90","","2594.06","0.04","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H44 F0.5 N0.5 O7 -","- C22 H44 F0.5 N0.5 O7 -","- C88 H176 F2 N2 O28 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0327","0.0326","","0.0889","0.0889","0.0889","","","","","","1.0044","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520624","18.6017","0.0003","18.6158","0.0003","19.1084","0.0003","90","","90","","90","","6616.96","0.18","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H64 F N O4 -","- C28 H64 F N O4 -","- C224 H512 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0558","0.0427","","0.1038","0.0979","0.1038","","","","","","0.9864","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520625","10.6859","0.0001","12.6528","0.0001","34.797","0.0003","90","","90","","90","","4704.78","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 F N O4 -","- C56 H64 F N O4 -","- C224 H256 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0272","0.0263","","0.067","0.0662","0.067","","","","","","0.9641","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520626","8.7551","0.00001","12.7463","0.00001","22.1115","0.0002","90","","92.0698","0.0006","90","","2465.93","0.02","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C49 H80 F N O7 -","- C49 H80 F N O7 -","- C98 H160 F2 N2 O14 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.03","0.0296","","0.0797","0.0793","0.0797","","","","","","0.9982","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520627","14.5683","0.0001","19.9837","0.0002","20.7534","0.0002","91.2454","0.0007","94.4191","0.0007","103.901","0.0008","5842.46","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H78 F N O3 -","- C73 H78 F N O3 -","- C292 H312 F4 N4 O12 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0429","0.0408","","0.0976","0.0961","0.0976","","","","","","0.9862","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520628","9.4953","0.0001","12.1501","0.0002","21.4618","0.0004","81.8444","0.0006","89.1604","0.0006","78.5486","0.0007","2401.96","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H72 F N O3 -","- C55 H72 F N O3 -","- C110 H144 F2 N2 O6 -","2","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0611","0.048","","0.1278","0.1166","0.1277","","","","","","0.9966","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520629","11.2887","0.0001","17.6025","0.0001","24.966","0.0002","90","","98.4318","0.0007","90","","4907.35","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 F N O2 -","- C54 H68 F N O2 -","- C216 H272 F4 N4 O8 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0614","0.0553","","0.1454","0.1394","0.1454","","","","","","0.9822","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520630","13.4717","0.0003","17.5643","0.0004","24.8506","0.0005","78.8655","0.0019","80.5422","0.0017","69.645","0.002","5379","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 F N O2 -","- C60 H80 F N O2 -","- C240 H320 F4 N4 O8 -","4","2","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0502","0.0439","","0.1204","0.1141","0.1203","","","","","","0.9911","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520631","27.7157","0.0006","9.7374","0.0002","25.2072","0.0005","90","","105.664","0.002","90","","6550.2","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H96 F N3 O5 -","- C76 H96 F N3 O5 -","- C304 H384 F4 N12 O20 -","4","0.5","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0499","0.0469","","0.1351","0.1322","0.1351","","","","","","0.9935","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520633","11.7745","0.0002","15.3391","0.0003","24.3582","0.0004","90","","90","","90","","4399.34","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","CWS-621","","","- C22 H21 Br N2 O3 S2 -","- C22 H21 Br N2 O3 S2 -","- C176 H168 Br8 N16 O24 S16 -","8","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.055","0.0357","","","0.079","0.0874","","","","","","1.033","","","","has coordinates","140262","2020-10-21","18:00:00",""
"1520634","9.0038","0.0002","10.66","0.0002","11.8108","0.0003","75.2664","0.0011","76.0323","0.0011","75.5364","0.0011","1042.26","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","KJE-831","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.1794","0.128","","","0.3275","0.3916","","","","","","1.344","","","","has coordinates","140262","2020-10-21","18:00:00",""
"1520635","7.37176","0.00017","14.7771","0.0003","21.8173","0.0005","90","","90","","90","","2376.63","0.09","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0411","0.0358","","","0.0821","0.0848","","","","","","1.081","","","","has coordinates","140263","2020-10-21","18:00:00",""
"1520636","10.39896","0.00019","9.11807","0.00017","13.7409","0.0003","90","","108.291","0.008","90","","1237.06","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 S2 -","- C29 H32 N2 S2 -","- C58 H64 N4 S4 -","2","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0334","0.0313","","","0.0839","0.0911","","","","","","1.11","","","","has coordinates","140263","2020-10-21","18:00:00",""
"1520637","12.0845","0.0012","5.9453","0.0006","22.597","0.002","90","","103.246","0.0016","90","","1580.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C84 H60 F4 O8 -","4","1","","Du, Xiang-Wei; Stanley, Levi M.","Tandem Alkyne Hydroacylation and Oxo-Michael Addition: Diastereoselective Synthesis of 2,3-Disubstituted Chroman-4-ones and Fluorinated Derivatives.","Organic letters","2015","17","13","3276","3279","10.1021/acs.orglett.5b01447","","","0.71073","MoKα","","0.0597","0.0446","","","0.1187","0.1309","","","","","","1.001","","","","has coordinates","141400","2020-10-21","18:00:00",""
"1520638","9.187","0.0001","9.964","0.0002","15.554","0.0003","108.411","0.0011","96.805","0.0012","95.38","0.0012","1328.34","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Au Fe O2 P S -","- C29 H24 Au Fe O2 P S -","- C58 H48 Au2 Fe2 O4 P2 S2 -","2","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María","Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo","Chem. Sci.","2015","6","9","5269","","10.1039/C5SC01753J","","","0.71073","MoKα","","0.0527","0.0331","","","0.0846","0.1148","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520639","10.1227","0.0016","25.116","0.004","11.547","0.0018","90","","97.553","0.006","90","","2910.3","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl N2 O2 S -","- C33 H29 Cl N2 O2 S -","- C132 H116 Cl4 N8 O8 S4 -","4","2","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.1743","0.0617","","","0.1165","0.1618","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520640","6.0633","0.0002","11.5428","0.0004","42.4729","0.0015","90","","90","","90","","2972.57","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N2 O4 S -","- C35 H32 N2 O4 S -","- C140 H128 N8 O16 S4 -","4","1","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.0457","0.0369","","","0.0819","0.0867","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520655","9.2692","0.0007","9.7098","0.0007","34.752","0.003","90","","92.266","0.001","90","","3125.3","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 O5 Si2 -","- C32 H38 O5 Si2 -","- C128 H152 O20 Si8 -","4","1","","Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.","The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","13","3256","3259","10.1021/acs.orglett.5b01417","","","0.71073","MoKα","","0.0631","0.0429","","","0.0984","0.1091","","","","","","1.028","","","","has coordinates","154764","2020-10-21","18:00:00",""
"1520656","6.9648","0.001","7.7685","0.0011","14.728","0.002","76.228","0.002","76.658","0.002","84.002","0.002","752.04","0.18","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl O5 -","- C16 H17 Cl O5 -","- C32 H34 Cl2 O10 -","2","1","","Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.","The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","13","3256","3259","10.1021/acs.orglett.5b01417","","x-ray","0.71073","MoKα","","0.0551","0.0399","","","0.095","0.1039","","","","","","1.096","","","","has coordinates","154764","2020-10-21","18:00:00",""
"1520657","5.6762","0.0006","10.5443","0.0011","14.1611","0.0014","90","","100.294","0.004","90","","833.92","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C36 H34 Br2 O10 -","2","1","","Sinha, Debarshi; Biswas, Arnab; Singh, Vinod K.","Chiral Phosphine-Silver(I) Complex Catalyzed Enantioselective Interrupted Feist-Bénary Reaction with Ynones: The Aldol-Cycloisomerization Cascade.","Organic letters","2015","17","13","3302","3305","10.1021/acs.orglett.5b01468","","","0.71073","MoKα","","0.0872","0.0518","","","0.1107","0.1256","","","","","","0.904","","","","has coordinates","140257","2020-10-21","18:00:00",""
"1520658","5.8624","0.0001","9.6327","0.0002","31.868","0.0006","90","","90","","90","","1799.61","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Chen, Shi; Ibrahim, Ahmad A.; Mondal, Mukulesh; Magee, Anthony J.; Cruz, Adam J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of Deoxypropionate Derivatives via Catalytic Hydrogenolysis of Enantioenriched Z-Ketene Heterodimers.","Organic letters","2015","17","13","3248","3251","10.1021/acs.orglett.5b01391","","","1.54178","CuKα","","0.0476","0.04","","","0.0965","0.1003","","","","","","1.056","","","","has coordinates","152907","2020-10-21","18:00:00",""
"1520659","13.1915","0.0004","9.4009","0.0003","22.0383","0.0006","90","","106.275","0.001","90","","2623.49","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 I2 Si2 -","- C22 H26 Cl2 I2 Si2 -","- C88 H104 Cl8 I8 Si8 -","4","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0198","0.0183","","","0.044","0.0446","","","","","","1.087","","","","has coordinates","152908","2020-10-21","18:00:00",""
"1520660","9.0806","0.0004","15.5457","0.0006","23.2185","0.0009","90","","90","","90","","3277.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C16 H10 Cl2 I2 -","- C16 H10 Cl2 I2 -","- C128 H80 Cl16 I16 -","8","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0277","0.0255","","","0.0608","0.0617","","","","","","1.174","","","","has coordinates","152908","2020-10-21","18:00:00",""
"1520661","7.1574","0.0015","11.25","0.002","22.434","0.005","84.231","0.005","84.177","0.005","89.834","0.005","1787.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C80 H64 Br8 O4 -","4","2","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1242","0.0788","","","0.2136","0.2416","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520662","14.4666","0.0005","10.0707","0.0003","16.4037","0.0006","90","","109.508","0.001","90","","2252.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 O -","- C25 H36 O -","- C100 H144 O4 -","4","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0599","0.0584","","","0.1683","0.1702","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520663","23.302","0.004","11.4445","0.0017","18.904","0.003","90","","104.415","0.006","90","","4882.6","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 O -","- C28 H34 O -","- C224 H272 O8 -","8","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","0.71073","MoKα","","0.1226","0.0669","","","0.1756","0.21","","","","","","1.029","","","","has coordinates,has disorder","170925","2020-10-21","18:00:00",""
"1520664","6.0698","0.0001","11.4589","0.0001","13.8421","0.0003","67.027","0.001","85.348","0.001","76.337","0.001","861.26","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Br2 O -","- C20 H16 Br2 O -","- C40 H32 Br4 O2 -","2","1","","Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min","Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes","Chem. Sci.","2015","6","10","5519","","10.1039/C5SC01806D","","","1.54178","CuKα","","0.0373","0.0364","","","0.1006","0.1015","","","","","","1.058","","","","has coordinates","170925","2020-10-21","18:00:00",""
"1520665","38.0616","0.0007","9.3192","0.0001","48.0059","0.0006","90","","92.3498","0.0005","90","","17013.6","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H138 Ge2 Si14 -","- C62 H138 Ge2 Si14 -","- C496 H1104 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0617","0.0476","","","0.1227","0.1342","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520666","12.7486","0.0002","20.8969","0.0004","18.9393","0.0003","90","","103.248","0.0007","90","","4911.28","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C80 H162 Ge2 Si14 -","- C80 H162 Ge2 Si14 -","- C160 H324 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0495","0.0377","","","0.0902","0.0977","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520667","21.4391","0.0003","21.7284","0.0002","36.5231","0.0005","90","","90","","90","","17013.8","0.4","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H142 Ge2 Si14 -","- C64 H142 Ge2 Si14 -","- C512 H1136 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.078","0.0562","","","0.1454","0.1633","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520670","19.7826","0.0011","11.0872","0.0005","30.0405","0.0017","90","","95.85","0.006","90","","6554.6","0.6","151","0.1","151","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 O14 -","- C44 H28 O14 -","- C352 H224 O112 -","8","2","","Cheuk, Dominic; Khamar, Dikshitkumar; McArdle, Patrick; Rasmuson, Åke C.","Solid Forms, Crystal Habits, and Solubility of Danthron","Journal of Chemical & Engineering Data","2015","60","7","2110","","10.1021/acs.jced.5b00192","","","0.71073","mokα","","0.1534","0.0858","","","0.2588","0.3247","","","","","","1.037","","","","has coordinates","152861","2020-10-21","18:00:00",""
"1520671","9.6557","0.0017","9.6557","0.0017","26.319","0.004","90","","90","","90","","2453.8","0.7","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C120 H128 O24 -","8","1","","Shi, Yu-Sheng; Liu, Yun-Bao; Ma, Shuang-Gang; Li, Yong; Qu, Jing; Li, Li; Yuan, Shao-Peng; Hou, Qi; Li, Yu-Huan; Jiang, Jian-Dong; Yu, Shi-Shan","Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum.","Journal of natural products","2015","78","7","1526","1535","10.1021/np500951s","","","1.54184","CuKα","","0.0358","0.0334","","","0.0821","0.0839","","","","","","1.025","","","","has coordinates","154671","2020-10-21","18:00:00",""
"1520672","6.1491","0.0005","8.0979","0.0005","20.2092","0.0014","90","","90","","90","","1006.31","0.12","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Shi, Yu-Sheng; Liu, Yun-Bao; Ma, Shuang-Gang; Li, Yong; Qu, Jing; Li, Li; Yuan, Shao-Peng; Hou, Qi; Li, Yu-Huan; Jiang, Jian-Dong; Yu, Shi-Shan","Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum.","Journal of natural products","2015","78","7","1526","1535","10.1021/np500951s","","","1.54184","CuKα","","0.0479","0.0448","","","0.1096","0.1139","","","","","","1.055","","","","has coordinates","154671","2020-10-21","18:00:00",""
"1520673","7.587","0.0015","9.6985","0.0019","25.106","0.005","90","","90","","90","","1847.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Xu, Jing; Sun, Yihang; Wang, Meicheng; Ren, Quanhui; Li, Shen; Wang, Hao; Sun, Xiaocong; Jin, Da-Qing; Sun, Hongwei; Ohizumi, Yasushi; Guo, Yuanqiang","Bioactive Diterpenoids from the Leaves of Callicarpa macrophylla.","Journal of natural products","2015","78","7","1563","1569","10.1021/acs.jnatprod.5b00018","","","0.71073","MoKα","","0.0753","0.0611","","","0.1745","0.1842","","","","","","1.072","","","","has coordinates","152864","2020-10-21","18:00:00",""
"1520674","31.609","0.003","10.4939","0.0011","9.2829","0.001","90","","96.146","0.002","90","","3061.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 Na O10 Re S -","- C28 H33 N3 Na O10 Re S -","- C112 H132 N12 Na4 O40 Re4 S4 -","4","1","","Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli","(99m)Tc(CO)3-Labeled Benzothiazole Derivatives Preferentially Bind Cerebrovascular Amyloid: Potential Use as Imaging Agents for Cerebral Amyloid Angiopathy.","Molecular pharmaceutics","2015","12","8","2937","2946","10.1021/acs.molpharmaceut.5b00209","","","0.71073","MoKα","","0.051","0.045","","","0.1016","0.1045","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520675","13.4616","0.0003","4.959","0.0001","19.7696","0.0005","90","","93.71","0.002","90","","1316.98","0.05","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-imino-2-phenethylisoindolin-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","1.54184","CuKα","","0.0474","0.0368","","","0.0911","0.0986","","","","","","1.042","","","","has coordinates","170939","2020-10-21","18:00:00",""
"1520676","33.97","0.016","6.299","0.003","16.431","0.008","90","","92.257","0.008","90","","3513","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(3-(2-(2-cyano-N-methylbenzamido)ethyl)phenyl)acrylic acid","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang","Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines","Chem. Sci.","2015","6","10","5595","","10.1039/C5SC01737H","","","0.71073","MoKα","","0.0856","0.0586","","","0.1406","0.1579","","","","","","1.09","","","","has coordinates","170939","2020-10-21","18:00:00",""
"1520682","10.4761","0.0005","10.8361","0.0002","11.3358","0.0006","76.911","0.001","61.867","0.001","86.563","0.002","1103.68","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N3 O5 S -","- C26 H19 N3 O5 S -","- C52 H38 N6 O10 S2 -","2","1","","Rao, Wei-Hao; Zhan, Bei-Bei; Chen, Kai; Ling, Peng-Xiang; Zhang, Zhuo-Zhuo; Shi, Bing-Feng","Pd(II)-Catalyzed Direct Sulfonylation of Unactivated C(sp(3))-H Bonds with Sodium Sulfinates.","Organic letters","2015","17","14","3552","3555","10.1021/acs.orglett.5b01634","","","0.71073","MoKα","","0.0544","0.041","","","0.0998","0.1077","","","","","","1.002","","","","has coordinates","154782","2020-10-21","18:00:00",""
"1520683","10.868","0.0008","6.8325","0.0006","12.6102","0.001","90","","103.793","0.005","90","","909.38","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","REJIII-035E2","sarpong111","","- C20 H24 Cl N3 O -","- C20 H24 Cl N3 O -","- C40 H48 Cl2 N6 O2 -","2","1","","Johnson, Rebecca E.; de Rond, Tristan; Lindsay, Vincent N. G.; Keasling, Jay D.; Sarpong, Richmond","Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture.","Organic letters","2015","17","14","3474","3477","10.1021/acs.orglett.5b01527","","","1.54178","CuKα","","0.0562","0.0467","","","0.1104","0.1169","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520684","28.508","0.002","5.4891","0.0004","8.1976","0.0007","90","","90","","90","","1282.79","0.17","147","2","147","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.0594","0.0445","","","0.0831","0.0885","","","","","","1.039","","","","has coordinates","154783","2020-10-21","18:00:00",""
"1520685","15.5081","0.0014","11.7102","0.0009","20.245","0.002","90","","90","","90","","3676.6","0.6","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cl O4 -","- C21 H21 Cl O4 -","- C168 H168 Cl8 O32 -","8","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.1068","0.0502","","","0.0832","0.0996","","","","","","0.999","","","","has coordinates","154783","2020-10-21","18:00:00",""
"1520686","10.7946","0.0006","12.4093","0.0006","13.1553","0.0007","76.627","0.005","68.739","0.005","81.216","0.004","1593.12","0.16","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N2 O6 S2 -","- C33 H30 N2 O6 S2 -","- C66 H60 N4 O12 S4 -","2","1","","Yan, Xiaonan; Ling, Fei; Zhang, Yuchen; Ma, Cheng","Three-Component Functionalized Dihydropyridine Synthesis via a Formal Inverse Electron-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","14","3536","3539","10.1021/acs.orglett.5b01622","","","0.71073","MoKα","","0.0532","0.042","","","0.1168","0.1237","","","","","","1.055","","","","has coordinates","152917","2020-10-21","18:00:00",""
"1520694","11.319","0.003","12.665","0.003","14.597","0.003","86.284","0.004","86.306","0.004","68.207","0.003","1937.1","0.8","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N3 O13 -","- C33 H27 N3 O13 -","- C66 H54 N6 O26 -","2","1","","Chen, Ji-Peng; He, Wei; Yang, Zhen-Yu; Yao, Zhu-Jun","Synthesis of Tricyclo[4,3,1,0(1,5)]decane Core of Plumisclerin A Using Pauson-Khand Annulation and SmI2-Mediated Radical Cyclization.","Organic letters","2015","17","14","3379","3381","10.1021/acs.orglett.5b01563","","","0.71073","MoKα","","0.0917","0.0739","","","0.2084","0.2246","","","","","","1.053","","","","has coordinates,has disorder","152916","2020-10-21","18:00:00",""
"1520695","9.7022","0.0003","14.1065","0.0005","22.5755","0.0007","90","","90","","90","","3089.78","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rzg1463cb","","","- C41 H29 N2 O -","- C41 H29 N2 O -","- C164 H116 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0886","0.0461","","","0.1103","0.1398","","","","","","1.013","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520696","9.7137","0.0007","21.2283","0.0015","30.357","0.002","90","","90","","90","","6259.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","man666.01","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C328 H256 N16 O8 -","8","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0828","0.0445","","","0.1081","0.1271","","","","","","1.016","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520697","9.7447","0.0003","10.0599","0.0003","12.2374","0.0004","103.037","0.002","100.267","0.002","97.73","0.001","1130.75","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 F3 N2 O -","- C28 H19 F3 N2 O -","- C56 H38 F6 N4 O2 -","2","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0549","0.0489","","","0.1334","0.1394","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520698","11.5129","0.0003","21.7914","0.0005","17.1772","0.0005","90","","98.718","0.002","90","","4259.66","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O S -","- C27 H21 N O S -","- C216 H168 N8 O8 S8 -","8","2","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0747","0.0463","","","0.1127","0.1261","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520699","7.8222","0.0003","19.2845","0.0006","21.7791","0.0008","90","","100.329","0.002","90","","3232.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","1.54178","CuKα","","0.0581","0.0467","","","0.1235","0.1323","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520700","7.9626","0.0002","12.2907","0.0004","18.1403","0.0005","90","","102.579","0.001","90","","1732.7","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","man615_LT","","","- C21 H23 N2 O Rh -","- C21 H23 N2 O Rh -","- C84 H92 N8 O4 Rh4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0336","0.0303","","","0.0733","0.0766","","","","","","1.049","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520702","19.8643","0.0006","9.0349","0.0002","24.8875","0.0007","90","","106.793","0.002","90","","4276.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N8 O3 Ti2 -","- C41 H60 N8 O3 Ti2 -","- C164 H240 N32 O12 Ti8 -","4","1","","Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong","Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.","Organic letters","2015","17","14","3406","3409","10.1021/acs.orglett.5b01229","","","0.71073","MoKα","","0.1046","0.0552","","","0.1262","0.1492","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520703","19.976","0.004","20.518","0.004","21.236","0.004","89.583","0.005","78.919","0.005","76.303","0.005","8292","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C163 H221 N28 O13 Ti4 -","- C163 H221 N28 O13 Ti4 -","- C326 H442 N56 O26 Ti8 -","2","1","","Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong","Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.","Organic letters","2015","17","14","3406","3409","10.1021/acs.orglett.5b01229","","","0.71073","MoKα","","0.1963","0.1169","","","0.3106","0.3742","","","","","","1.024","","","","has coordinates","152914","2020-10-21","18:00:00",""
"1520704","11.7148","0.0005","11.8534","0.0005","14.1205","0.0006","110","0.003","95.83","0.003","100.677","0.003","1781.51","0.14","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","2","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.34139","GaKα","","0.1461","0.0847","","","0.2272","0.2672","","","","","","1.031","","","","has coordinates,has disorder","154784","2020-10-21","18:00:00",""
"1520705","17.651","0.0003","15.5231","0.0003","13.7865","0.0003","90","","90","","90","","3777.48","0.13","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","2","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.54178","CuKα","","0.0345","0.0342","","","0.0932","0.0936","","","","","","1.042","","","","has coordinates,has disorder","154784","2020-10-21","18:00:00",""
"1520706","15.2406","0.0006","5.6664","0.0002","20.6863","0.0009","90","","94.254","0.002","90","","1781.53","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.54178","CuKα","","0.0455","0.0377","","","0.1006","0.1064","","","","","","1.042","","","","has coordinates","154784","2020-10-21","18:00:00",""
"1520707","8.7215","0.0006","11.3257","0.0008","19.217","0.001","90","","90","","90","","1898.2","0.2","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Paladino, Marco; Zaifman, Joshua; Ciufolini, Marco A.","Total Synthesis of (+)-3-Demethoxyerythratidinone and (+)-Erysotramidine via the Oxidative Amidation of a Phenol.","Organic letters","2015","17","14","3422","3425","10.1021/acs.orglett.5b01423","","","1.54178","CuKα","","0.0277","0.0269","","","0.0672","0.068","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520708","11.4762","0.0003","7.95324","0.00015","16.5869","0.0005","90","","107.894","0.003","90","","1440.7","0.07","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Wang, Qi; Tang, Xuli; Luo, Xiangchao; de Voogd, Nicole J.; Li, Pinglin; Li, Guoqiang","(+)- and (-)-Spiroreticulatine, A Pair of Unusual Spiro Bisheterocyclic Quinoline-imidazole Alkaloids from the South China Sea Sponge Fascaplysinopsis reticulata.","Organic letters","2015","17","14","3458","3461","10.1021/acs.orglett.5b01503","","","1.54184","CuKα","","0.0495","0.0473","","","0.129","0.1317","","","","","","1.065","","","","has coordinates","152919","2020-10-21","18:00:00",""
"1520709","21.91216","0.00013","32.64068","0.00017","35.0386","0.0002","90","","98.2694","0.0006","90","","24800","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 -","- C649.9 H447.1 Cu8 N195.3 Na23 O231.1 S32 Zn24 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.0699","0.0663","","","0.1866","0.1937","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520710","24.6339","0.0015","26.2771","0.0016","38.566","0.002","71.189","0.003","77.8","0.002","87.75","0.002","23086","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 -","- C652.9 H460.1 Cu20 N196.3 O239.1 S32 Zn12.8 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.2743","0.1379","","","0.3434","0.4375","","","","","","1.236","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520711","24.6594","0.0006","26.1086","0.0006","38.5294","0.0008","71.7131","0.0019","78.2731","0.0018","87.7169","0.0019","23054.1","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C325.25 H227.25 Cu16 N97.75 O116.25 S16 -","- C650.5 H454.5 Cu32 N195.5 O232.5 S32 -","2","1","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","1.54184","CuKα","","0.1676","0.1152","","","0.3071","0.3676","","","","","","1.118","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520712","16.4641","0.0005","16.4641","0.0005","53.397","0.002","90","","90","","90","","14474.1","0.8","123","2","123","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H52 N24 O20 S4 Zn4 -","- C80 H52 N24 O20 S4 Zn4 -","- C320 H208 N96 O80 S16 Zn16 -","4","","","Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari","Mixed valence mono- and hetero-metallic grid catenanes","Chem. Sci.","2015","6","10","5712","","10.1039/C5SC01851J","","","0.71073","MoKα","","0.0976","0.0647","","","0.1723","0.1994","","","","","","1.049","","","","has coordinates,has disorder","170935","2020-10-21","18:00:00",""
"1520713","20.3743","0.001","5.7348","0.0004","19.2424","0.0015","90","","102.342","0.006","90","","2196.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 4d and DNP adduct","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","1.5418","CuKα","","0.05","0.046","","","0.1146","0.1179","","","","","","1.058","","","","has coordinates,has disorder","170948","2020-10-21","18:00:00",""
"1520714","6.5498","0.0004","20.4037","0.0013","11.0725","0.0009","90","","100.469","0.003","90","","1455.1","0.18","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C56 H56 N4 O8 S8 -","2","0.5","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0503","0.0359","","","0.0833","0.0935","","","","","","1.023","","","","has coordinates,has disorder","170948","2020-10-21","18:00:00",""
"1520715","15.181","0.006","15.559","0.005","23.696","0.007","90","","105.016","0.018","90","","5406","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","racemic L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C224 H224 N16 O32 S32 -","8","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0521","0.0431","","","0.108","0.1127","","","","","","1.06","","","","has coordinates","170948","2020-10-21","18:00:00",""
"1520716","37.479","0.002","7.292","0.0004","9.0925","0.0006","90","","93.702","0.004","90","","2479.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 N O2 S -","- C25 H45 N O2 S -","- C100 H180 N4 O8 S4 -","4","1","","Bhat, R.; Patel, H.; Tsai, P.-C.; Sun, X.-L.; Daoud, D.; Lalancette, R. A.; Michniak-Kohn, B.; Pietrangelo, A.","Effect of residue structure on the thermal and thermoresponsive properties of γ-substituted poly(N-acryloyl-2-pyrrolidones)","Polym. Chem.","2015","6","33","5993","","10.1039/C5PY00649J","","","1.54178","CuKα","","0.1254","0.1182","","","0.3133","0.3165","","","","","","1.162","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520720","22.6971","0.0004","11.6034","0.0002","19.6097","0.0006","90","","124.027","0.001","90","","4280.19","0.18","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H31 Cl3 O2 -","- C21 H31 Cl3 O2 -","- C168 H248 Cl24 O16 -","8","2","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0425","0.0417","","","0.1124","0.1133","","","","","","1.042","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520721","6.1311","0.0002","17.3576","0.0007","8.5062","0.0004","90","","98.395","0.002","90","","895.54","0.06","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C40 H64 O6 -","2","1","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0386","0.0382","","","0.1009","0.1015","","","","","","1.035","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520722","7.0352","0.0001","9.6018","0.0001","26.5701","0.0003","90","","90","","90","","1794.83","0.04","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0417","0.0412","","","0.1077","0.1084","","","","","","1.032","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520723","13.212","0.002","9.1505","0.0015","18.16","0.003","90","","105.195","0.011","90","","2118.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Dihydrate","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","1.54178","CuKα","","0.0796","0.0529","","","0.1271","0.1389","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520724","26.498","0.003","9.6469","0.0008","20.342","0.003","90","","128.706","0.004","90","","4057.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.73","","- C22 H28.46 N3 O4.73 -","- C22 H28.2375 N3 O4.732 -","- C176 H225.9 N24 O37.856 -","8","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","0.71073","MoKα","","0.0994","0.0544","","","0.1281","0.1493","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520725","26.663","0.007","9.634","0.002","20.863","0.009","90","","128.322","0.006","90","","4204","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.95","","- C22 H28.9 N3 O4.95 -","- C22 H28.947 N3 O4.948 -","- C176 H231.576 N24 O39.584 -","8","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","0.71073","MoKα","","0.1056","0.0499","","","0.0978","0.1217","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520726","21.512","0.01","10.424","0.005","40.881","0.018","90","","90","","90","","9167","7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H42 F6 N6 O7 S2 -","- C44 H42 F6 N6 O7 S2 -","- C352 H336 F48 N48 O56 S16 -","8","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.243","0.1095","","","0.231","0.2997","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520727","8.882","0.006","10.743","0.009","14.629","0.013","87","0.03","76.43","0.03","65.66","0.02","1234.8","1.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 F3 N2 O3 -","- C28 H23 F3 N2 O3 -","- C56 H46 F6 N4 O6 -","2","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.1119","0.0622","","","0.1536","0.1916","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520728","10.3059","0.0007","20.6482","0.0013","25.5756","0.0017","90","","90","","90","","5442.4","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","QY614","Doyle-Quian QY614","","- C25 H34 N2 O9 Si -","- C25 H34 N2 O9 Si -","- C200 H272 N16 O72 Si8 -","8","1","","Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P.","Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes.","Organic letters","2015","17","14","3568","3571","10.1021/acs.orglett.5b01674","","","0.71073","MoKα","","0.0387","0.0329","","","0.0648","0.0666","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520729","6.6067","0.0003","19.709","0.001","9.7407","0.0005","90","","109.22","0.002","90","","1197.65","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 N O3 S2 -","- C25 H31 N O3 S2 -","- C50 H62 N2 O6 S4 -","2","1","","Fernández-Valparís, Javier; Romo, Juan Manuel; Romea, Pedro; Urpí, Fèlix; Kowalski, Hubert; Font-Bardia, Mercè","Stereoselective Alkylation of (S)-N-Acyl-4-isopropyl-1,3-thiazolidine-2-thiones Catalyzed by (Me3P)2NiCl2.","Organic letters","2015","17","14","3540","3543","10.1021/acs.orglett.5b01626","","","0.71073","MoKα","","0.0321","0.0293","","","0.0742","0.0762","","","","","","1.108","","","","has coordinates","154786","2020-10-21","18:00:00",""
"1520734","7.9518","0.0014","12.143","0.002","14.869","0.002","90","","90","","90","","1435.7","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 N2 O3 -","- C15 H24 N2 O3 -","- C60 H96 N8 O12 -","4","1","","Pan, Qi-Ming; Li, Yu-Huan; Hua, Jing; Huang, Fu-Ping; Wang, Heng-Shan; Liang, Dong","Antiviral Matrine-Type Alkaloids from the Rhizomes of Sophora tonkinensis.","Journal of natural products","2015","78","7","1683","1688","10.1021/acs.jnatprod.5b00325","","","1.54178","CuKα","","0.0773","0.0351","","","0.0794","0.0859","","","","","","1.094","","","","has coordinates","152863","2020-10-21","18:00:00",""
"1520735","9.052","0.003","10.577","0.003","14.128","0.004","90","","90","","90","","1352.7","0.7","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Pan, Qi-Ming; Li, Yu-Huan; Hua, Jing; Huang, Fu-Ping; Wang, Heng-Shan; Liang, Dong","Antiviral Matrine-Type Alkaloids from the Rhizomes of Sophora tonkinensis.","Journal of natural products","2015","78","7","1683","1688","10.1021/acs.jnatprod.5b00325","","","1.54184","CuKα","","0.0308","0.0301","","","0.0763","0.0771","","","","","","1.125","","","","has coordinates","152863","2020-10-21","18:00:00",""
"1520736","7.2412","0.0003","10.1066","0.0004","19.681","0.0008","90","","90","","90","","1440.33","0.1","100","2","100","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0238","0.0228","","","0.063","0.0634","","","","","","1.038","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520737","7.1805","0.0001","9.8395","0.0001","19.6096","0.0003","90","","90","","90","","1385.47","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0607","0.0611","","","","","","1.046","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520738","10.0568","0.0007","14.9314","0.0011","16.7695","0.0012","90","","90","","90","","2518.1","0.3","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N3 O Ru S -","- C24 H25 Cl2 N3 O Ru S -","- C96 H100 Cl8 N12 O4 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0543","0.0498","","","0.1258","0.1284","","","","","","1.065","","","","has coordinates,has disorder","170918","2020-10-21","18:00:00",""
"1520739","6.6174","0.0001","17.1016","0.0003","19.4048","0.0004","90","","90","","90","","2196","0.07","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Ru S2 -","- C20 H20 Cl2 N2 O Ru S2 -","- C80 H80 Cl8 N8 O4 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0198","0.0177","","","0.0438","0.0443","","","","","","1.049","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520740","6.503","0.0001","10.2867","0.0001","31.8305","0.0004","90","","90","","90","","2129.28","0.05","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O2 Ru S -","- C20 H20 Cl2 N2 O2 Ru S -","- C80 H80 Cl8 N8 O8 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0155","0.0148","","","0.0375","0.0376","","","","","","1.058","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520741","10.5026","0.0005","11.3327","0.0007","19.4036","0.0009","85.025","0.004","85.154","0.004","71.124","0.005","2173.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H69 Ga N2 Si3 -","- C39 H69 Ga N2 Si3 -","- C78 H138 Ga2 N4 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0358","0.0327","","","0.0848","0.0879","","","","","","1.026","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520742","11.519","0.003","20.858","0.002","11.942","0.003","90","","117.73","0.04","90","","2539.7","1.3","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H80 Ga Li N2 Si4 -","- C43 H81 Ga Li N2 Si4 -","- C86 H162 Ga2 Li2 N4 Si8 -","2","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.54178","CuKα","","0.0807","0.0579","","","0.1449","0.1567","","","","","","1.024","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520743","11.5267","0.0005","18.7832","0.0008","24.68","0.001","90","","90.988","0.004","90","","5342.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H84 Ga Li N2 O2 Si3 -","- C47 H84 Ga Li N2 O2 Si3 -","- C188 H336 Ga4 Li4 N8 O8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0861","0.0531","","","0.1039","0.12","","","","","","1.065","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520744","11.3181","0.0005","13.8704","0.0007","17.8645","0.0006","69.483","0.004","71.891","0.003","67.251","0.004","2371.9","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H77 Ga N2 O Si3 -","- C43 H77 Ga N2 O Si3 -","- C86 H154 Ga2 N4 O2 Si6 -","2","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0399","0.0351","","","0.0907","0.0945","","","","","","1.015","","","","has coordinates","170930","2020-10-21","18:00:00",""
"1520745","21.8907","0.0005","11.0318","0.0002","20.6366","0.0004","90","","117.951","0.003","90","","4402.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Ga N2 Si3 -","- C40 H71 Ga N2 Si3 -","- C160 H284 Ga4 N8 Si12 -","4","1","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","1.5418","CuKα","","0.0954","0.0887","","","0.2474","0.2603","","","","","","1.066","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520746","10.6838","0.0003","19.4876","0.0005","18.4437","0.0004","90","","102.692","0.002","90","","3746.18","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H58 N2 Si2 Zn -","- C35 H58 N2 Si2 Zn -","- C140 H232 N8 Si8 Zn4 -","4","0.5","","Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva","Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights","Chem. Sci.","2015","6","10","5719","","10.1039/C5SC02086G","","","0.71073","MoKα","","0.0788","0.0489","","","0.101","0.1112","","","","","","1.032","","","","has coordinates,has disorder","170930","2020-10-21","18:00:00",""
"1520747","10.8994","0.0003","20.7161","0.0005","18.9857","0.0004","90","","92.16","0.002","90","","4283.79","0.18","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H69 Al N2 Rh Si -","- C42 H69 Al N2 Rh Si -","- C168 H276 Al4 N8 Rh4 Si4 -","4","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0549","0.0374","","","0.0801","0.0898","","","","","","1.042","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520748","10.3195","0.0007","11.6531","0.0005","19.8109","0.001","77.86","0.004","75.973","0.005","73.269","0.005","2188","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 N2 Rh Si Zn -","- C45 H73 N2 Rh Si Zn -","- C90 H146 N4 Rh2 Si2 Zn2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.0551","0.0349","","","0.0603","0.0656","","","","","","1.022","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520749","10.3775","0.0004","11.6602","0.0007","19.854","0.0009","77.684","0.004","75.691","0.004","73.192","0.004","2202.2","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H73 Mg N2 Rh Si -","- C45 H73 Mg N2 Rh Si -","- C90 H146 Mg2 N4 Rh2 Si2 -","2","1","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","0.71073","MoKα","","0.047","0.0359","","","0.0691","0.0733","","","","","","1.026","","","","has coordinates","170941","2020-10-21","18:00:00",""
"1520750","17.4233","0.0003","16.5193","0.0003","23.4839","0.0004","90","","104.958","0.0016","90","","6530.1","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Al2 N4 Rh2 -","- C72 H98 Al2 N4 Rh2 -","- C288 H392 Al8 N16 Rh8 -","4","0.5","","Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R.","Addition of aluminium, zinc and magnesium hydrides to rhodium(iii)","Chem. Sci.","2015","6","10","5617","","10.1039/C5SC01309G","","","1.54184","CuKα","","0.0373","0.0308","","","0.0764","0.0813","","","","","","1.038","","","","has coordinates,has disorder","170941","2020-10-21","18:00:00",""
"1520751","11.9993","0.0009","4.2453","0.0003","29.803","0.002","90","","100.261","0.004","90","","1493.9","0.18","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Suh, Sung-Eun; Barros, Stephanie A.; Chenoweth, David M.","Triple Aryne-Tetrazine Reaction Enabling Rapid Access to a New Class of Polyaromatic Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","9","5128","5132","10.1039/C5SC01726B","","","0.71073","MoKα","","0.0664","0.0541","","","0.1464","0.1579","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520752","18.7387","0.0003","18.7387","0.0003","37.4863","0.0008","90","","90","","120","","11399.4","0.4","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C180 H108 Cu18 N18 O90 -","9","0.25","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Yildirim, Taner; Zhou, Wei; Chen, Banglin","Porous metal‒organic frameworks with Lewis basic nitrogen sites for high-capacity methane storage","Energy Environ. Sci.","2015","8","8","2504","","10.1039/C5EE01531F","","","1.54184","CuKα","","0.0518","0.0472","","","0.1019","0.1035","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520753","15.767","0.003","5.759","0.0012","15.721","0.003","90","","112.32","0.03","90","","1320.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Lu, Lei; Ma, Juan; Qu, Panpan; Li, Feng","Effective Recognition of Different Types of Amino Groups: From Aminobenzenesulfonamides to Amino-(N-alkyl)benzenesulfonamides via Iridium-Catalyzed N-Alkylation with Alcohols.","Organic letters","2015","17","10","2350","2353","10.1021/acs.orglett.5b00824","","","0.71073","MoKα","","0.0905","0.054","","","0.1473","0.168","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520754","7.667","0.0006","8.7269","0.0006","17.0497","0.0013","88.1161","0.0018","89.15","0.002","62.1966","0.0018","1008.54","0.13","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O3 S2 -","- C23 H21 N O3 S2 -","- C46 H42 N2 O6 S4 -","2","1","","Miura, Tomoya; Funakoshi, Yuuta; Fujimoto, Yoshikazu; Nakahashi, Junki; Murakami, Masahiro","Facile synthesis of 2,5-disubstituted thiazoles from terminal alkynes, sulfonyl azides, and thionoesters.","Organic letters","2015","17","10","2454","2457","10.1021/acs.orglett.5b00960","","","0.71075","MoKα","","0.0862","0.0681","","","0.1743","0.1959","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520755","52.579","0.011","21.835","0.004","29.598","0.006","90","","117.54","0.03","90","","30130","13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C270 H372 B6 N8 O30 -","- C270 H372 B6 N8 O30 -","- C1080 H1488 B24 N32 O120 -","4","0.5","","Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Multilayered inclusion nanocycles of anionic spiroborates.","Organic letters","2015","17","10","2466","2469","10.1021/acs.orglett.5b00974","","","0.8","synchrotron","","0.2913","0.1493","","","0.3772","0.4696","","","","","","1.179","","","","has coordinates,has disorder","140043","2020-10-21","18:00:00",""
"1520756","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Luo, Tuoping; Yang, Zhen","Synthetic Progress toward Azadirachtins. 1. Enantio- and Diastereoselective Synthesis of the Left-Wing Fragment of 11-epi-Azadirachtin I.","Organic letters","2015","17","10","2342","2345","10.1021/acs.orglett.5b00829","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","140044","2020-10-21","18:00:00",""
"1520757","17.7328","0.0009","8.7774","0.0004","13.0228","0.0007","90","","110.419","0.006","90","","1899.61","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C96 H80 O12 -","4","1","","Li, Mingliang; Yang, Yudong; Zhou, Danni; Wan, Danyang; You, Jingsong","Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones.","Organic letters","2015","17","10","2546","2549","10.1021/acs.orglett.5b01128","","x-ray","0.71","MoKα","","0.0622","0.0571","","","0.1554","0.1641","","","","","","1.018","","","","has coordinates","140045","2020-10-21","18:00:00",""
"1520758","9.9044","0.001","11.8847","0.0011","11.9608","0.0011","60.57","0.005","81.21","0.006","75.803","0.005","1187.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N O9 -","- C22 H33 N O9 -","- C44 H66 N2 O18 -","2","1","","Xu, Sanjia; Ciufolini, Marco A.","Formal Synthesis of (±)-Tetrodotoxin via the Oxidative Amidation of a Phenol: On the Structure of the Sato Lactone.","Organic letters","2015","17","10","2424","2427","10.1021/acs.orglett.5b00935","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0963","0.1033","","","","","","1.025","","","","has coordinates","140046","2020-10-21","18:00:00",""
"1520759","10.5221","0.0019","10.6666","0.0019","10.7161","0.0019","74.105","0.004","73.746","0.004","61.845","0.004","1003.6","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N O10 -","- C19 H27 N O10 -","- C38 H54 N2 O20 -","2","1","","Xu, Sanjia; Ciufolini, Marco A.","Formal Synthesis of (±)-Tetrodotoxin via the Oxidative Amidation of a Phenol: On the Structure of the Sato Lactone.","Organic letters","2015","17","10","2424","2427","10.1021/acs.orglett.5b00935","","x-ray","0.71073","MoKα","","0.0642","0.0432","","","0.1043","0.1145","","","","","","1.014","","","","has coordinates","140047","2020-10-21","18:00:00",""
"1520760","8.1087","0.0006","11.9482","0.0009","20.232","0.0015","90","","90","","90","","1960.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0451","0.0412","","","0.102","0.1047","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520761","7.3909","0.0007","12.9276","0.0012","25.254","0.002","90","","90","","90","","2412.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O5 -","- C26 H40 O5 -","- C104 H160 O20 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0435","0.0405","","","0.1091","0.1126","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520762","5.2667","0.0002","15.2534","0.0006","20.3019","0.0008","90","","90","","90","","1630.95","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Lin, Cheng-Wei; Hong, Bor-Cherng; Chang, Wan-Chen; Lee, Gene-Hsiang","A New Approach to Nitrones through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis.","Organic letters","2015","17","10","2314","2317","10.1021/acs.orglett.5b00684","","","0.71073","MoKα","","0.0698","0.0415","","","0.1009","0.108","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520763","9.024","0.0003","19.4282","0.0006","21.1568","0.0007","103.992","0.002","95.5616","0.0016","103.407","0.0014","3454.8","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Mo6 N4 Na4 O48 P4 -","- C20 H30 Mo6 N4 Na2.5 O48 P4 -","- C40 H60 Mo12 N8 Na5 O96 P8 -","2","1","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.0809","0.071","","","0.196","0.2096","","","","","","1.023","","","","has coordinates","140297","2020-10-21","18:00:00",""
"1520764","17.9501","0.0005","19.4745","0.0004","19.8487","0.0005","76.188","0.001","69.59","0.001","76.669","0.001","6231.6","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K3.5 Mo6 N4 Na0.5 O45.5 P4 -","- C20 H30 K2 Mo6 N4 Na0.375 O45 P4 -","- C80 H120 K8 Mo24 N16 Na1.5 O180 P16 -","4","2","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.076","0.0568","","","0.1649","0.179","","","","","","1.07","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520765","17.6023","0.0019","22.134","0.002","28.323","0.003","97.443","0.005","95.464","0.005","107.43","0.005","10334.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H102.5 Mo8 N14 O53.25 P4 -","- C32 H36 Mo8 N6 O61.25 P4 -","- C128 H144 Mo32 N24 O245 P16 -","4","2","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.1215","0.1051","","","0.2719","0.282","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520766","21.7759","0.0005","32.0368","0.0007","33.0799","0.0008","94.172","0.001","107.537","0.001","90.561","0.001","21934.4","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H499 As8 Cs8.5 Na34.5 O538 W81 Y8 -","- C2 As8 Cs7.75 Na11.7 O367.25 W81.1667 Y8 -","- C4 As16 Cs15.5 Na23.4 O734.5 W162.333 Y16 -","2","1","","Ibrahim, Masooma; Bassil, Bassem; Kortz, Ulrich","Synthesis and Characterization of 8-Yttrium(III)-Containing 81-Tungsto-8-Arsenate(III), [Y8(CH3COO)(H2O)18(As2W19O68)4(W2O6)2(WO4)]43−","Inorganics","2015","3","2","267","","10.3390/inorganics3020267","","","0.71073","MoKα","","0.0914","0.0643","","","0.1478","0.1719","","","","","","1.005","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520954","11.7715","0.0013","12.7462","0.0015","15.4167","0.0017","105.421","0.002","96.436","0.002","103.43","0.002","2131.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Cl In N2 O2 -","- C48 H64 Cl In N2 O2 -","- C96 H128 Cl2 In2 N4 O4 -","2","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0357","0.0343","","","0.0908","0.0913","","","","","","1.392","","","","has coordinates,has disorder","171002","2020-10-21","18:00:00",""
"1520955","15.0752","0.0009","22.4148","0.0014","23.2893","0.0013","90","","90","","90","","7869.6","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103.5 In2 N8.5 O6 -","- C73.016 H103.524 In2 N8.508 O6 -","- C292.064 H414.096 In8 N34.032 O24 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.067","0.0469","","","0.1033","0.112","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520956","36.78","0.004","8.3688","0.0008","24.188","0.002","90","","115.26","0.002","90","","6733.3","1.1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H46 Cl In N4 O2 -","- C34 H46 Cl In N4 O2 -","- C272 H368 Cl8 In8 N32 O16 -","8","2","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0228","0.0202","","","0.0473","0.0487","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520957","9.192","0.002","16.465","0.004","25.858","0.006","90","","90","","90","","3913.5","1.6","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 In N3 O3 -","- C42 H58 In N3 O3 -","- C168 H232 In4 N12 O12 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0388","0.0307","","","0.055","0.0572","","","","","","1.023","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520958","12.019","0.005","20.066","0.009","23.278","0.011","90","","90","","90","","5614","4","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 In N3 O3 Si2 -","- C64 H58 In N3 O3 Si2 -","- C256 H232 In4 N12 O12 Si8 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0647","0.0497","","","0.1324","0.1458","","","","","","0.722","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520959","14.07","0.0005","10.406","0.0003","14.8885","0.0004","90","","103.249","0.003","90","","2121.84","0.12","190","2","190","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C25 H40 O2 -","- C25 H40 O2 -","- C100 H160 O8 -","4","2","","Challinor, Victoria L.; Johnston, Ryne C.; Bernhardt, Paul V.; Lehmann, Reginald P.; Krenske, Elizabeth H.; De Voss, James J.","Biosynthetic insights provided by unusual sesterterpenes from the medicinal herb Aletris farinosa","Chem. Sci.","2015","6","10","5740","","10.1039/C5SC02056E","","x-ray","1.5418","CuKα","","0.0469","0.0446","","","0.125","0.1279","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520960","9.566","0.002","10.649","0.002","17.115","0.003","90","","95.18","0.03","90","","1736.4","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H30 Br N2 O5 P Pd -","- C34 H30 Br N2 O5 P Pd -","- C68 H60 Br2 N4 O10 P2 Pd2 -","2","1","","Xie, Lan-Gui; Bagutski, Viktor; Audisio, Davide; Wolf, Larry M.; Schmidts, Volker; Hofmann, Kathrin; Wirtz, Cornelia; Thiel, Walter; Thiele, Christina M.; Maulide, Nuno","Dynamic behaviour of monohaptoallylpalladium species: internal coordination as a driving force in allylic alkylation chemistry","Chem. Sci.","2015","6","10","5734","","10.1039/C5SC01867F","","","0.71073","MoKα","","0.0909","0.059","","","0.1068","0.1127","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520961","9.2828","0.0008","22.6451","0.0019","24.351","0.002","90","","97.192","0.001","90","","5078.5","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex 3","","","- C45 H27 B Cl8 F8 Ir N4 -","- C45 H27 B Cl8 F8 Ir N4 -","- C180 H108 B4 Cl32 F32 Ir4 N16 -","4","1","","Monti, Filippo; Baschieri, Andrea; Matteucci, Elia; Mazzanti, Andrea; Sambri, Letizia; Barbieri, Andrea; Armaroli, Nicola","A chelating diisocyanide ligand for cyclometalated Ir(iii) complexes with strong and tunable luminescence.","Faraday discussions","2015","185","","233","248","10.1039/c5fd00064e","","","0.71073","MoKα","","0.0781","0.0589","","","0.147","0.1568","","","","","","1.131","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1521275","8.5336","0.001","11.7835","0.0014","13.3762","0.0015","100.381","0.002","95.958","0.002","103.944","0.002","1268.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ir(C2H4)(POCOP)] (6)","","","- C24 H43 Ir O2 P2 -","- C24 H43 Ir O2 P2 -","- C48 H86 Ir2 O4 P4 -","2","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0348","0.0264","","","0.0473","0.0496","","","","","","0.996","","","","has coordinates","155207","2020-10-21","18:00:00",""
"1521276","16.2181","0.0009","10.735","0.0006","15.8712","0.0008","90","","107.894","0.002","90","","2629.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ir(C3H6)(POCOP)] (7)","","","- C25 H45 Ir O2 P2 -","- C25 H45 Ir O2 P2 -","- C100 H180 Ir4 O8 P8 -","4","1","","Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A.","Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism","Catal. Sci. Technol.","2015","5","9","4575","","10.1039/C5CY00837A","","","0.71073","MoKα","","0.0518","0.0382","","","0.0931","0.1038","","","","","","1.042","","","","has coordinates,has disorder","155207","2020-10-21","18:00:00",""
"1521277","8.9698","0.0004","18.4284","0.0008","12.3981","0.0005","90","","98.31","0.002","90","","2027.88","0.15","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N4 O -","- C20 H27 Br N4 O -","- C80 H108 Br4 N16 O4 -","4","2","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0228","0.0226","","","0.0588","0.059","","","","","","0.977","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521278","10.0804","0.0003","9.9982","0.0003","19.7575","0.0006","90","","103.299","0.0017","90","","1937.88","0.1","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N7 O7 -","- C33 H53 N7 O7 -","- C66 H106 N14 O14 -","2","1","","Zaretsky, Serge; Hickey, Jennifer L.; Tan, Joanne; Pichugin, Dmitry; St. Denis, Megan A.; Ler, Spencer; Chung, Benjamin K. W.; Scully, Conor C. G.; Yudin, Andrei K.","Mechanistic investigation of aziridine aldehyde-driven peptide macrocyclization: the imidoanhydride pathway","Chem. Sci.","2015","6","10","5446","","10.1039/C5SC01958C","","","1.54178","CuKα","","0.0444","0.0425","","","0.1073","0.1089","","","","","","1.065","","","","has coordinates","170934","2020-10-21","18:00:00",""
"1521279","9.6223","0.0003","14.2389","0.0005","18.6464","0.0007","85.8029","0.0011","78.4958","0.001","76.9593","0.001","2437.81","0.15","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H72 Cl7 N P2 Pt Ru -","- C43 H72 Cl7 N P2 Pt Ru -","- C86 H144 Cl14 N2 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0452","0.0317","","","0.0603","0.0641","","","","","","1.037","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521280","11.5671","0.0014","13.5147","0.0013","24.091","0.003","76.202","0.004","88.744","0.004","72.724","0.004","3487.5","0.7","122.4","","122.4","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H96 Cl5 N P4 Pd Ru -","- C73 H96 Cl5 N P4 Pd Ru -","- C146 H192 Cl10 N2 P8 Pd2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0989","0.0435","","","0.0728","0.0861","","","","","","1.025","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521281","13.811","0.0018","40.893","0.006","16.343","0.002","90","","97.877","0.005","90","","9143","2","122.4","","122.4","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C81 H144 Cl11 Ir O2 P4 Ru2 -","- C324 H576 Cl44 Ir4 O8 P16 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0605","0.0346","","","0.0671","0.0752","","","","","","1.022","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521282","10.9458","0.0006","15.8362","0.0009","16.7533","0.001","111.788","0.002","96.293","0.002","99.958","0.002","2607.5","0.3","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H92 Cl3 Ir P2 Ru -","- C51 H92 Cl3 Ir P2 Ru -","- C102 H184 Cl6 Ir2 P4 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0257","0.0195","","","0.0409","0.0426","","","","","","1.048","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521283","11.307","0.0019","13.305","0.0009","24.398","0.005","75.582","0.009","88.059","0.013","71.085","0.006","3358.5","0.9","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C63 H88 As Cl7 O2 P2 Pt Ru -","- C126 H176 As2 Cl14 O4 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0373","0.0282","","","0.0689","0.0727","","","","","","1.044","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521284","10.935","0.0012","12.995","0.0005","18.693","0.003","78.174","0.004","75.183","0.012","75.241","0.008","2455.3","0.5","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H80 Cl5 P2 Rh Ru -","- C46 H80 Cl5 P2 Rh Ru -","- C92 H160 Cl10 P4 Rh2 Ru2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0232","0.0194","","","0.0472","0.0504","","","","","","1.082","","","","has coordinates,has disorder","170949","2020-10-21","18:00:00",""
"1521285","10.432","0.0007","12.713","0.0012","19.025","0.003","77.214","0.009","80.085","0.005","82.926","0.006","2414.3","0.5","122","2","122.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H74 Cl6 O P2 Pt Ru S -","- C40 H74 Cl6 O P2 Pt Ru S -","- C80 H148 Cl12 O2 P4 Pt2 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0142","0.0131","","","0.0364","0.0371","","","","","","1.171","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521286","13.297","0.0006","14.55","0.0013","18.906","0.0017","111.639","0.007","93.007","0.005","92.517","0.006","3387.4","0.5","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(4'-phenyl-2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C61 H83 Ag Cl8 F3 N3 O3 P2 Ru S -","- C122 H166 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.067","0.0521","","","0.1405","0.1584","","","","","","1.092","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521287","32.65","0.02","13.4","0.02","23.89","0.02","90","","109.79","0.02","90","","9835","18","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis[(μ-chloro-carbonylrhodium(I))-μ-carbido-dichlorobistricyclohexylphosphinruthenium(VI)]","","- C81.47 H144.4 Cl8.53 O3.16 P4 Rh2 Ru2 -","- C81.468 H144.404 Cl8.532 O3.156 P4 Rh2 Ru2 -","- C325.872 H577.616 Cl34.128 O12.624 P16 Rh8 Ru8 -","4","0.5","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0668","0.0471","","","0.1313","0.1474","","","","","","1.193","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1521288","14.248","0.0009","15.814","0.0018","16.607","0.0018","70.503","0.009","74.933","0.005","68.534","0.009","3241.9","0.6","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","mu-carbido-[(2,2':6',2''-terpyridine)silver(I)-dichlorobis(tricyclohexylphosphine)ruthenium(VI)]triflate","","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C55 H79 Ag Cl8 F3 N3 O3 P2 Ru S -","- C110 H158 Ag2 Cl16 F6 N6 O6 P4 Ru2 S2 -","2","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0921","0.0605","","","0.1373","0.1571","","","","","","1.065","","","","has coordinates","170949","2020-10-21","18:00:00",""
"1521289","19.988","0.004","16.619","0.004","27.233","0.004","90","","100.779","0.015","90","","8887","3","123","2","123","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","bis[mu-carbido(dichlorobis(tricyclohexylphosphine)ruthenium(VI)]gold(I)-tetrafluoroborate","","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C76 H134 Au B Cl10 F4 P4 Ru2 -","- C304 H536 Au4 B4 Cl40 F16 P16 Ru8 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0831","0.0676","","","0.1546","0.1614","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521290","13.392","0.002","17.683","0.001","20.172","0.002","90","0.009","121.735","0.011","90","0.007","4062.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I)","","- C37 H66 Au Cl3 P2 Ru -","- C37 H66 Au Cl3 P2 Ru -","- C148 H264 Au4 Cl12 P8 Ru4 -","4","1","","Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper","Carbide complexes as π-acceptor ligands","Chem. Sci.","2015","6","10","5815","","10.1039/C5SC02077H","","","0.71073","MoKα","","0.0687","0.0521","","","0.1189","0.1298","","","","","","1.241","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523614","24.4884","0.0013","7.9625","0.0004","18.5286","0.0011","90","","131.954","0.003","90","","2686.8","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Verma, Akhilesh K.; Danodia, Abhinandan K.; Saunthwal, Rakesh K.; Patel, Monika; Choudhary, Deepak","Palladium-Catalyzed Triple Successive C-H Functionalization: Direct Synthesis of Functionalized Carbazoles from Indoles.","Organic letters","2015","17","15","3658","3661","10.1021/acs.orglett.5b01476","","","0.71073","MoKα","","0.046","0.0425","","","0.1039","0.1062","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523944","11.2966","0.0002","12.1022","0.0003","12.7036","0.0003","85.244","0.001","70.619","0.001","77.661","0.001","1600.36","0.06","296","2","296","2","","","","","","","syn","5","P -1","-P 1","2","","","","- C32 H30 N2 O4 S4 -","- C32 H30 N2 O4 S4 -","- C64 H60 N4 O8 S8 -","2","1","","Yadagiri, Dongari; Anbarasan, Pazhamalai","Tandem 1,2-sulfur migration and (aza)-Diels‒Alder reaction of β-thio-α-diazoimines: rhodium catalyzed synthesis of (fused)-polyhydropyridines, and cyclohexenes","Chem. Sci.","2015","6","10","5847","","10.1039/C5SC02379C","","x-ray","0.71073","MoKα","","0.0418","0.035","","","0.092","0.0998","","","","","","1.029","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1523945","18.1083","0.0007","17.6737","0.0009","7.671","0.0003","90","","90","","90","","2455.03","0.18","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","1","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0705","0.0562","","","0.1307","0.1384","","","","","","1.044","","","","has coordinates","155249","2020-10-21","18:00:00",""
"1523946","13.9688","0.0003","13.9688","0.0003","13.3347","0.0004","90","","90","","90","","2601.96","0.11","110","","110","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H40 N4 O4 Si -","- C24 H40 N4 O4 Si -","- C96 H160 N16 O16 Si4 -","4","0.25","","Kaßner, L.; Nagel, K.; Grützner, R.-E.; Korb, M.; Rüffer, T.; Lang, H.; Spange, S.","Polyamide 6/silica hybrid materials by a coupled polymerization reaction","Polym. Chem.","2015","6","35","6297","","10.1039/C5PY00815H","","","0.71073","MoKα","","0.0282","0.0263","","","0.0639","0.065","","","","","","1.074","","","","has coordinates","155249","2020-10-21","18:00:00",""
"1529061","10.1241","0.0004","10.1353","0.0004","17.3058","0.0006","84.1092","0.0012","73.833","0.0012","63.9157","0.0011","1531.42","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 B F9 -","- C37 H22 B F9 -","- C74 H44 B2 F18 -","2","1","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.062","0.0516","","","0.1253","0.1337","","","","","","1.032","","","","has coordinates,has disorder","170936","2020-10-21","18:00:00",""
"1529062","9.7736","0.0005","16.1049","0.0008","16.4046","0.0008","76.766","0.002","74.775","0.002","75.51","0.002","2375.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B F9 -","- C28 H18 B F9 -","- C112 H72 B4 F36 -","4","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.0485","0.0429","","","0.1038","0.1103","","","","","","0.903","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1529063","8.6666","0.0011","35.693","0.005","15.69","0.002","90","","91.689","0.004","90","","4851.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 B F9 O -","- C28 H20 B F9 O -","- C224 H160 B8 F72 O8 -","8","2","","Zhang, Zuolun; Edkins, Robert M.; Haehnel, Martin; Wehner, Marius; Eichhorn, Antonius; Mailänder, Lisa; Meier, Michael; Brand, Johannes; Brede, Franziska; Müller-Buschbaum, Klaus; Braunschweig, Holger; Marder, Todd B.","Taming the beast: fluoromesityl groups induce a dramatic stability enhancement in boroles","Chem. Sci.","2015","6","10","5922","","10.1039/C5SC02205C","","","0.71073","MoKα","","0.104","0.0619","","","0.1492","0.1773","","","","","","0.886","","","","has coordinates,has disorder","170936","2020-10-21","18:00:00",""
"1529064","9.2715","0.0004","36.7577","0.0015","11.3129","0.0005","90","","90.098","0.004","90","","3855.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H56 N8 O9 -","- C37 H54 N8 O9 -","- C148 H216 N32 O36 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","x-ray","0.71073","MoKα","","0.2072","0.157","","","0.3787","0.411","","","","","","1.063","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529065","13.3658","0.0002","9.4864","0.0001","17.7634","0.0002","90","","104.204","0.001","90","","2183.42","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H68 N8 O13 -","- C39.275 H65.1 N8 O12.275 -","- C78.55 H130.2 N16 O24.55 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.0623","0.0575","","","0.1487","0.1518","","","","","","1.08","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529066","16.9971","0.0011","9.2681","0.0004","25.8496","0.0017","90","","99.408","0.006","90","","4017.3","0.4","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C36 H52 N8 O9 -","- C36 H52 N8 O9 -","- C144 H208 N32 O36 -","4","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1457","0.0892","","","0.2133","0.2361","","","","","","0.981","","","","has coordinates","170946","2020-10-21","18:00:00",""
"1529067","17.7309","0.0007","9.6245","0.0003","26.236","0.001","90","","107.755","0.004","90","","4263.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C156 H256 N32 O48 -","4","2","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71073","MoKα","","0.1477","0.0918","","","0.2165","0.253","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529068","9.769","0.005","13.318","0.005","17.543","0.005","90","0.005","103.191","0.005","90","0.005","2222.2","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H64 N8 O12 -","- C39 H64 N8 O12 -","- C78 H128 N16 O24 -","2","1","","Bartoloni, Marco; Jin, Xian; Marcaida, Maria José; Banha, João; Dibonaventura, Ivan; Bongoni, Swathi; Bartho, Kathrin; Gräbner, Olivia; Sefkow, Michael; Darbre, Tamis; Reymond, Jean-Louis","Bridged bicyclic peptides as potential drug scaffolds: synthesis, structure, protein binding and stability","Chem. Sci.","2015","6","10","5473","","10.1039/C5SC01699A","","","0.71069","MoKα","","0.0658","0.0571","","","0.1425","0.1496","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529074","17.7691","0.0006","7.9596","0.0002","25.4492","0.0008","90","","107.241","0.002","90","","3437.67","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","VOLF-1","","","- C18 H18 F2 N O4 V -","- C18 H18 F2 N O4 V -","- C144 H144 F16 N8 O32 V8 -","8","2","","Choing, Stephanie N.; Francis, Aaron J.; Clendenning, Graham; Schuurman, Michael S.; Sommer, Roger D.; Tamblyn, Isaac; Weare, Walter W.; Cuk, Tanja","Long-Lived LMCT in a d0Vanadium(V) Complex by Internal Conversion to a State of 3dxyCharacter","The Journal of Physical Chemistry C","2015","119","30","17029","","10.1021/acs.jpcc.5b00513","","","0.71073","MoKα","","0.0553","0.0389","","","0.091","0.0992","","","","","","1.03","","","","has coordinates","152882","2020-10-21","18:00:00",""
"1529075","18.2529","0.0005","6.5741","0.0002","21.2658","0.0006","90","","100.998","0.0014","90","","2504.95","0.13","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C28.52 H21.52 F6 N0.48 O2 S2 -","- C114.08 H86.08 F24 N1.92 O8 S8 -","4","1","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","1.54178","CuKα","","0.0426","0.0384","","","0.1018","0.1055","","","","","","1.037","","","","has coordinates","170924","2020-10-21","18:00:00",""
"1529076","15.141","0.004","18.267","0.005","19.761","0.005","72.453","0.005","86.674","0.006","77.582","0.006","5089","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 F6 N2 O2 S2 -","- C27 H20 F6 N2 O2 S2 -","- C216 H160 F48 N16 O16 S16 -","8","4","","Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro","Light-driven bending of diarylethene mixed crystals","Chem. Sci.","2015","6","10","5746","","10.1039/C5SC01994J","","","0.71073","MoKα","","0.1212","0.077","","","0.1389","0.1561","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529077","29.93","0.006","29.93","0.006","28.878","0.006","90","","90","","120","","22403","8","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2 -","- C679.8 H533.7 Cl12 Cu12 F144 N93.9 O84 S12 -","6","1","","Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W.","Redox-configurable ambidextrous catalysis: structural and mechanistic insight","Chem. Sci.","2015","6","10","5904","","10.1039/C5SC02144H","","","0.71073","MoKα","","0.0974","0.0782","","","0.2086","0.2228","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529078","34.794","0.016","5.836","0.003","28.131","0.014","90","","97.862","0.011","90","","5659","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.36 H70.72 N4 O2.68 -","- C65.36 H70.72 N4 O2.68 -","- C261.44 H282.88 N16 O10.72 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0597","","","0.1624","0.1931","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529079","34.89","0.003","5.8074","0.0004","28.103","0.002","90","","98.31","0.002","90","","5634.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H67 N4 O2 -","- C66 H67 N4 O2 -","- C264 H268 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0841","0.0717","","","0.2167","0.2318","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529080","34.814","0.002","5.8498","0.0004","27.956","0.002","90","","98.517","0.002","90","","5630.6","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H71 N4 O4.5 -","- C68 H71 N4 O4.5 -","- C272 H284 N16 O18 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0733","0.0579","","","0.1626","0.1751","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529081","34.994","0.005","5.7712","0.0009","28.005","0.005","90","","97.696","0.005","90","","5604.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N4 O3 -","- C63 H69 N4 O3 -","- C252 H276 N16 O12 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0978","0.0681","","","0.1908","0.2163","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529082","34.875","0.004","5.794","0.0006","28.028","0.003","90","","98.453","0.002","90","","5602","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N7 O6 -","- C63 H69 N7 O6 -","- C252 H276 N28 O24 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.0742","0.061","","","0.1765","0.1876","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529083","35.119","0.008","5.8515","0.0013","28.129","0.006","90","","96.944","0.005","90","","5738","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H68 N4 O2 -","- C68 H68 N4 O2 -","- C272 H272 N16 O8 -","4","0.5","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1489","0.1199","","","0.3229","0.34","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529084","5.8032","0.0007","17.6171","0.0018","28.095","0.003","82.852","0.004","89.95","0.004","81.848","0.004","2820.8","0.5","100","2","100","2","","","","","","","Inmersion in P-Xylene","3","P -1","-P 1","2","","","","- C68 H70 N4 -","- C68 H70 N4 -","- C136 H140 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.148","0.0788","","","0.1961","0.2277","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529085","34.833","0.004","5.8219","0.0007","28.205","0.003","90","","98.49","0.005","90","","5657.1","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H76 N4 -","- C70 H76 N4 -","- C280 H304 N16 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1361","0.0699","","","0.1761","0.2142","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529086","5.8111","0.0013","17.553","0.004","28.328","0.005","82.08","0.006","89.417","0.006","83.086","0.006","2841.1","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 N4 -","- C74 H72 N4 -","- C148 H144 N8 -","2","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.71073","MoKα","","0.1388","0.0949","","","0.2375","0.2665","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529087","35.689","0.004","5.9481","0.0006","28.84","0.003","90","","97.562","0.006","90","","6069","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C70 H74 N6 -","- C70 H74 N6 -","- C280 H296 N24 -","4","1","","Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests","Chem. Sci.","2015","6","10","5466","","10.1039/C5SC01838B","","","0.7107","MoKα","","0.0931","0.0768","","","0.2101","0.2312","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529088","29.5994","0.0013","29.5994","0.0013","52.255","0.004","90","","90","","120","","39648","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper cyanide","","- C133 H99 Cu5.5 N17 O31 -","- C132 H99 Cu5.5 N15 O27 -","- C792 H594 Cu33 N90 O162 -","6","0.333333","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1428","0.0881","","","0.2481","0.2828","","","","","","0.774","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529089","57.029","0.002","34.131","0.003","24.4704","0.0006","90","","95.496","0.002","90","","47412","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris(4-pyridyl-methyl)cyclotriguaiacyclene copper triflate","","- C168 H156 Cu3 F0 N12 O27 S0 -","- C168 H156 Cu3 N12 O27 -","- C672 H624 Cu12 N48 O108 -","4","0.5","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1146","0.09","","","0.2352","0.2508","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529090","11.0753","0.001","32.119","0.003","47.079","0.004","90","","92.659","0.001","90","","16729","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bromotris(4-pyridyl-benzyl)cyclotriguaiacyclene copper(ii) bromide","","- C128 H126 Br4 Cu2 N6 O17 S4 -","- C128 H126 Br3.75 Cu2 N6 O17 S4 -","- C512 H504 Br15 Cu8 N24 O68 S16 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1933","0.146","","","0.3872","0.4168","","","","","","1.412","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529091","14.4856","0.0003","18.0721","0.0004","30.4166","0.0007","96.787","0.002","93.193","0.002","102.088","0.002","7704.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper triflate","","- C108 H102 Cu2 F12 N10 O36 S4 -","- C107 H102 Cu2 F9 N10 O33 S3 -","- C214 H204 Cu4 F18 N20 O66 S6 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1253","0.1063","","","0.2998","0.3235","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529092","9.459","0.002","29.785","0.007","34.465","0.008","90","","90","","90","","9710","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate","","- C47 H44.5 B Cu F4 N5.5 O11 -","- C47 H40.5 B Cu F4 N5.5 O11 -","- C376 H324 B8 Cu8 F32 N44 O88 -","8","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.6889","","","0.136","0.1163","","","0.3412","0.3652","","","","","","1.318","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529093","28.9123","0.001","20.7706","0.0008","29.7284","0.0013","90","","101.224","0.004","90","","17511.2","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris(isonicotonoyl)cyclotriguaiacyclene copper(II) tetrafluoroborate","","- C149 H187 B4 Cu2 F16 N19 O34.5 -","- C149 H175 B4 Cu2 F16 N19 O34.5 -","- C596 H700 B16 Cu8 F64 N76 O138 -","4","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","1.54184","CuKα","","0.1803","0.1262","","","0.336","0.3928","","","","","","1.303","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529094","15.4223","0.001","19.5085","0.0012","28.1607","0.0017","100.656","0.004","105.671","0.003","102.75","0.004","7682","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","bromo[tris(4-pyridyl)methyl)cyclotriguaiacyclene]copper(II) bromide","","- C93 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C93.05 H105 Br3 Cu2 N6 O16.5 S4.5 -","- C186.1 H210 Br6 Cu4 N12 O33 S9 -","2","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.71073","MoKα","","0.1479","0.1149","","","0.3304","0.3488","","","","","","1.248","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529193","9.823","0.002","10.177","0.002","11.186","0.002","92.48","0.03","113.89","0.03","100.8","0.03","995.5","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C46 H40 Br2 N2 O4 -","2","1","","Sha, Qiang; Arman, Hadi; Doyle, Michael P.","Three-Component Cascade Reactions with 2,3-Diketoesters: A Novel Metal-Free Synthesis of 5-Vinyl-pyrrole and 4-Hydroxy-indole Derivatives.","Organic letters","2015","17","15","3876","3879","10.1021/acs.orglett.5b01855","","","0.71073","MoKα","","0.0547","0.0492","","","0.1299","0.1363","","","","","","1.04","","","","has coordinates","154768","2020-10-21","18:00:00",""
"1529194","13.16","0.007","16.367","0.008","19.701","0.01","90","","103.837","0.004","90","","4120","4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1412","0.0948","","","0.1451","0.1664","","","","","","1.126","","","","has coordinates,has disorder","170937","2020-10-21","18:00:00",""
"1529195","13.324","0.006","16.849","0.007","19.59","0.008","90","","104.35","0.005","90","","4261","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O2 Y2 -","- C98 H128 N6 O2 Y2 -","- C196 H256 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1024","0.0661","","","0.1386","0.1626","","","","","","1.061","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529196","13.2137","0.0009","17.8164","0.0009","18.8346","0.0012","90","","102.372","0.003","90","","4331.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H128 N6 O4 Y2 -","- C98 H128 N6 O4 Y2 -","- C196 H256 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.0681","0.0498","","","0.1025","0.113","","","","","","1.093","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529197","16.313","0.007","20.362","0.009","20.231","0.009","90","","92.019","0.004","90","","6716","5","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H100 N6 O2 Y2 -","- C70 H100 N6 O2 Y2 -","- C280 H400 N24 O8 Y8 -","4","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1091","0.0784","","","0.1337","0.1492","","","","","","1.109","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529198","15.639","0.007","17.514","0.008","16.24","0.008","90","","104.711","0.004","90","","4302","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H120 N6 O2 Y2 -","- C94 H120 N6 O2 Y2 -","- C188 H240 N12 O4 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1348","0.1176","","","0.1838","0.193","","","","","","1.29","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529199","13.492","0.012","13.673","0.012","19.028","0.018","90","","101.334","0.009","90","","3442","5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H104 N6 O4 Y2 -","- C72 H104 N6 O4 Y2 -","- C144 H208 N12 O8 Y4 -","2","0.5","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1414","0.0914","","","0.1563","0.1837","","","","","","1.063","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529200","12.902","0.01","21.925","0.016","16.088","0.013","90","","106.222","0.006","90","","4370","6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H62 N3 O2 Y -","- C47 H62 N3 O2 Y -","- C188 H248 N12 O8 Y4 -","4","1","","Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi","2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate","Chem. Sci.","2015","6","10","5394","","10.1039/C5SC01599E","","","0.71075","MoKα","","0.1641","0.1188","","","0.2648","0.3028","","","","","","1.111","","","","has coordinates","170937","2020-10-21","18:00:00",""
"1529201","15.72","0.0017","14.2236","0.0015","28.919","0.003","90","","96.12","0.002","90","","6429.3","1.2","188","2","188","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H54 Al Cl5 N4 O3 -","- C71.5 H54 Al Cl5 N4 O3 -","- C286 H216 Al4 Cl20 N16 O12 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.1492","0.0904","","","0.247","0.2841","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529202","14.265","0.003","20.847","0.004","18.412","0.003","90","","97.691","0.004","90","","5426.2","1.8","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Al Cl3 N4 O2 -","- C68 H50 Al Cl3 N4 O2 -","- C272 H200 Al4 Cl12 N16 O8 -","4","1","","Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi","Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides","Catal. Sci. Technol.","2015","5","9","4644","","10.1039/C5CY00982K","","","0.71073","MoKα","","0.2017","0.0948","","","0.2311","0.2932","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529203","11.5703","0.0012","11.7055","0.0013","21.152","0.002","86.747","0.005","83.81","0.005","75.03","0.005","2750.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[U(OCP)(amid)3].[0.5toluene]","","","- C43.5 H73 N6 O P Si6 U -","- C43.5 H73 N6 O P Si6 U -","- C87 H146 N12 O2 P2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0286","0.0279","","","0.07","0.0702","","","","","","1.371","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529204","11.4301","0.0009","21.3302","0.0016","24.614","0.002","99.881","0.004","90.073","0.004","95.606","0.004","5882.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Th(OCP)(amid)3","","","- C40 H69 N6 O P Si6 Th -","- C40 H69 N6 O P Si6 Th -","- C160 H276 N24 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0358","0.0282","","","0.0651","0.0683","","","","","","0.975","","","","has coordinates,has disorder","170984","2020-10-21","18:00:00",""
"1529205","15.5201","0.0007","17.9868","0.0008","37.3806","0.0017","90","","97.783","0.002","90","","10338.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[U(NCO)L3]","","","- C40 H69 N7 O Si6 U -","- C40 H69 N7 O Si6 U -","- C320 H552 N56 O8 Si48 U8 -","8","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0314","0.0285","","","0.0539","0.0545","","","","","","1.319","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1529206","11.2966","0.0019","23.057","0.004","23.27","0.004","66.405","0.006","87.39","0.006","77.614","0.006","5419.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H73 N7 O Si6 Th -","- C43.5 H73 N7 O Si6 Th -","- C174 H292 N28 O4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0226","0.0195","","","0.0469","0.0482","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529207","11.581","0.0007","11.6278","0.0007","21.115","0.0013","86.775","0.002","83.982","0.002","75.259","0.002","2733.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","U(NCS)(amid)3.toluene","","","- C43.5 H73 N7 S Si6 U -","- C43.5 H73 N7 S Si6 U -","- C87 H146 N14 S2 Si12 U2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.03","0.0294","","","0.0794","0.0796","","","","","","1.383","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529208","11.6047","0.0006","11.6602","0.0006","21.204","0.0011","86.479","0.002","83.836","0.002","75.464","0.002","2759.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Th(NCS)(amid)3","","","- C43.5 H73 N7 S Si6 Th -","- C43.5 H73 N7 S Si6 Th -","- C87 H146 N14 S2 Si12 Th2 -","2","1","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0282","0.0278","","","0.0779","0.0781","","","","","","1.417","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529209","14.8598","0.001","19.6824","0.0013","24.2681","0.0017","105.87","0.0027","101.321","0.0026","96.5472","0.0027","6587.8","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(amid)3Th(OCP)Ni(COD)].(hexane)0.75","","","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C52.5 H91.5 N6 Ni O P Si6 Th -","- C210 H366 N24 Ni4 O4 P4 Si24 Th4 -","4","2","","Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John","Uranium and thorium complexes of the phosphaethynolate ion","Chem. Sci.","2015","6","11","6379","","10.1039/C5SC02150B","","","0.71073","MoKα","","0.0388","0.0333","","","0.0826","0.0857","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529210","10.9481","0.0017","39.559","0.007","24.446","0.004","90","","92.404","0.005","90","","10578","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H143 Cl N14 O5 -","- C114 H143 Cl N14 O5 -","- C456 H572 Cl4 N56 O20 -","4","1","","Galán, Albano; Valderrey, Virginia; Ballester, Pablo","Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule","Chem. Sci.","2015","6","11","6325","","10.1039/C5SC02024G","","","0.71073","MoKα","","0.1993","0.1225","","","0.3397","0.397","","","","","","1.381","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529211","15.281","0.004","3.8302","0.0009","24.754","0.004","90","","125.705","0.011","90","","1176.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0897","0.0718","","","0.2014","0.2162","","","","","","1.111","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529212","6.0914","0.0007","8.5177","0.0011","23.947","0.003","90","","90.598","0.007","90","","1242.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.169","0.1269","","","0.3426","0.392","","","","","","1.388","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529213","7.946","0.0007","9.4371","0.0009","9.6309","0.001","90","","100.506","0.003","90","","710.09","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π + 2π]-cycloadditions of propiolate derivatives with unactivated nitriles","Chem. Sci.","2015","6","10","5964","","10.1039/C5SC01950H","","","0.71073","MoKα","","0.0446","0.038","","","0.0998","0.1154","","","","","","1.085","","","","has coordinates","170940","2020-10-21","18:00:00",""
"1529214","17.5705","0.0012","22.6256","0.0012","24.6091","0.0011","90","","100.073","0.006","90","","9632.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 Dy N11 O -","- C92 H76 Dy N11 O -","- C368 H304 Dy4 N44 O4 -","4","1","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","1.54178","CuKα","","0.1302","0.0996","","","0.2531","0.2788","","","","","","0.934","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529215","31.8037","0.0011","17.264","0.0004","32.0054","0.0008","90","","102.045","0.003","90","","17186","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C189 H157 Cl15 Dy2 N22 S2 -","- C189 H157 Cl15 Dy2 N22 S2 -","- C756 H628 Cl60 Dy8 N88 S8 -","4","0.5","","Cao, Wei; Gao, Chen; Zhang, Yi-Quan; Qi, Dongdong; Liu, Tao; Wang, Kang; Duan, Chunying; Gao, Song; Jiang, Jianzhuang","Rational enhancement of the energy barrier of bis(tetrapyrrole) dysprosium SMMs via replacing atom of porphyrin core","Chem. Sci.","2015","6","10","5947","","10.1039/C5SC02314A","","","0.71073","MoKα","","0.0973","0.0684","","","0.1745","0.1888","","","","","","1.038","","","","has coordinates","170943","2020-10-21","18:00:00",""
"1529216","9.5286","0.0002","10.2653","0.0003","21.7873","0.0005","90","","90","","90","","2131.1","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C104 H84 Cl4 N8 O8 -","4","1","","Li, Bao-Sheng; Wang, Yuhuang; Jin, Zhichao; Chi, Yonggui Robin","Cycloaddition of cyclobutenone and azomethine imine enabled by chiral isothiourea organic catalysts","Chem. Sci.","2015","6","10","6008","","10.1039/C5SC01972A","","","0.71073","MoKα","","0.0496","0.0369","","","0.0779","0.0847","","","","","","1.02","","","","has coordinates","170945","2020-10-21","18:00:00",""
"1529231","4.2541","0.0006","14.739","0.002","16.635","0.003","90","","90","","90","","1043","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-thiobarbiturato-O,O,O' O',S,S)potassium","","- C8 H11 K N2 O2 S -","- C8 H11 K N2 O2 S -","- C32 H44 K4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0476","0.0321","","","0.058","0.0642","","","","","","1.03","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529232","10.5339","0.0018","7.6036","0.0013","14.186","0.002","90","","108.964","0.004","90","","1074.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)sodium","","- C8 H11 N2 Na O2 S -","- C8 H11 N2 Na O2 S -","- C32 H44 N8 Na4 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.114","0.0463","","","0.1077","0.1317","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529233","10.6778","0.0013","7.2687","0.0009","13.2021","0.0016","90","","108.841","0.002","90","","969.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)lithium","","- C8 H11 Li N2 O2 S -","- C8 H11 Li N2 O2 S -","- C32 H44 Li4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0939","0.0462","","","0.0945","0.1103","","","","","","1.015","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529234","8.5939","0.0002","22.9953","0.0005","10.1832","0.0002","90","","112.838","0.001","90","","1854.64","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-Bis(mu~2~-2-thiobarbiturato-O,O')-(mu~3~-acetato-O,O,O')- diaqua-neodymium(III) dihydrate","","- C10 H17 N4 Nd O10 S2 -","- C10 H17 N4 Nd O10 S2 -","- C40 H68 N16 Nd4 O40 S8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","","","0.71073","MoKα","","0.0201","0.0181","","","0.0488","0.0498","","","","","","1.044","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529235","4.11991","0.00035","4.22332","0.00038","13.349","0.0012","90","","90","","90","","232.27","0.04","300","","300","","","","","","","","","3","I 2 2 2","I 2 2","23","","Bis(oxoneodymium) Sulfate(VI)","","- Nd2 O6 S -","- Nd2 O6 S -","- Nd4 O12 S2 -","2","0.25","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.46","1.207","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529237","12.9503","0.0003","12.9503","0.0003","32.0771","0.001","90","","90","","120","","4658.9","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Catena-tetrakis(mu~3~-1,3-diethyl-2-thiobarbiturato-O,O',S)-dilead(II)","","- C16 H22 N4 O4 Pb S2 -","- C16 H22 N4 O4 Pb S2 -","- C144 H198 N36 O36 Pb9 S18 -","9","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Golovneva, Irina","The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate","Russian Journal of Coordination Chemistry","2015","41","5","300","","10.1134/S1070328415050012","","","0.71073","MoKα","","0.0369","0.0226","","","0.0381","0.0415","","","","","","1.009","","","","has coordinates,has Fobs","152364","2020-10-21","18:00:00",""
"1529239","4.5236","0.0009","14.739","0.003","16.937","0.004","90","","90","","90","","1129.2","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-cesium","","- C8 H11 Cs N2 O2 S -","- C8 H11 Cs N2 O2 S -","- C32 H44 Cs4 N8 O8 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0318","0.0233","","","0.0428","0.0453","","","","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529240","8.472","0.002","8.853","0.004","8.964","0.002","98.436","0.004","116.059","0.003","109.916","0.004","531.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ammonium 1,3-diethyl-2-thiobarbiturate","","- C8 H15 N3 O2 S -","- C8 H15 N3 O2 S -","- C16 H30 N6 O4 S2 -","2","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0502","0.039","","","0.1071","0.1156","","","","","","1.045","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529241","4.373","0.0009","14.789","0.003","16.923","0.003","90","","90","","90","","1094.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-rubidium","","- C8 H11 N2 O2 Rb S -","- C8 H11 N2 O2 Rb S -","- C32 H44 N8 O8 Rb4 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0509","0.0343","","","0.0588","0.0629","","","","","","1.001","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529242","4.3767","0.0004","14.7003","0.0014","16.6064","0.0016","90","","90","","90","","1068.44","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-thallium","","- C8 H11 N2 O2 S Tl -","- C8 H11 N2 O2 S Tl -","- C32 H44 N8 O8 S4 Tl4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0342","0.0263","","","0.0436","0.0455","","","","","","0.999","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529249","9.4119","0.0002","7.6136","0.0002","18.3824","0.0005","90","","104.166","0.001","90","","1277.2","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep","Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones.","Organic letters","2015","17","15","3860","3863","10.1021/acs.orglett.5b01832","","","0.71073","MoKα","","0.0905","0.0568","","","0.122","0.1328","","","","","","0.895","","","","has coordinates","154771","2020-10-21","18:00:00",""
"1529250","7.9657","0.0002","14.5166","0.0003","12.0126","0.0003","90","","90","","90","","1389.08","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep","Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones.","Organic letters","2015","17","15","3860","3863","10.1021/acs.orglett.5b01832","","","0.71073","MoKα","","0.0493","0.0467","","","0.1283","0.137","","","","","","1.098","","","","has coordinates","154771","2020-10-21","18:00:00",""
"1529251","10.7013","0.0005","11.2094","0.0006","17.8097","0.0008","90.007","0.002","104.509","0.002","98.16","0.002","2045.87","0.17","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H3 B F32 N3 P -","- C42 H3 B F32 N3 P -","- C84 H6 B2 F64 N6 P2 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0567","0.0366","","","0.0773","0.0844","","","","","","1.033","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529252","12.8405","0.0007","18.5144","0.0012","22.501","0.0013","90","","90.649","0.003","90","","5348.9","0.5","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H30 B F20 N3 P2 -","- C60 H30 B F20 N3 P2 -","- C240 H120 B4 F80 N12 P8 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.1836","0.0676","","","0.0893","0.112","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529253","12.7734","0.0006","14.9217","0.0008","15.1042","0.0008","107.504","0.003","95.932","0.003","111.054","0.002","2489","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B F20 N3 P2 -","- C48 H54 B F20 N3 P2 -","- C96 H108 B2 F40 N6 P4 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0507","0.0357","","","0.0816","0.0886","","","","","","1.019","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529254","11.7044","0.0005","16.5009","0.0007","18.3335","0.0007","86.77","0.002","76.082","0.002","83.169","0.002","3411","0.2","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 B Cl0 F2 N7 -","- C66 H52 B F20 N7 -","- C132 H104 B2 F40 N14 -","2","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.2521","0.224","","","0.5913","0.6199","","","","","","2.992","","","","has coordinates","170989","2020-10-21","18:00:00",""
"1529255","12.226","0.0004","23.2442","0.0006","14.116","0.0004","90","","107.089","0.001","90","","3834.42","0.19","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H15 B F20 N3 P -","- C42 H15 B F20 N3 P -","- C168 H60 B4 F80 N12 P4 -","4","1","","Winkelhaus, Daniel; Holthausen, Michael H.; Dobrovetsky, Roman; Stephan, Douglas W.","Phosphine and carbene azido-cations: [(L)N3]+and [(L)2N3]+","Chem. Sci.","2015","6","11","6367","","10.1039/C5SC02336J","","","0.71073","MoKα","","0.0617","0.0367","","","0.0779","0.0876","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529256","10.5266","0.0002","14.2874","0.0002","18.9078","0.0003","90","","90","","90","","2843.69","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O11 -","- C27 H42 O11 -","- C108 H168 O44 -","4","1","","Jin, An; Wu, Wen-Ming; Yu, Heng-Yi; Zhou, Ming; Liu, Ye; Tian, Tian; Ruan, Han-Li","Bisabolane-Type Sesquiterpenoids from the Whole Plant of Parasenecio rubescens.","Journal of natural products","2015","78","8","2057","2066","10.1021/acs.jnatprod.5b00380","","","1.54178","CuKα","","0.0292","0.029","","","0.0743","0.0744","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529257","11.1369","0.0006","12.7954","0.0006","13.7775","0.0006","90","","105.869","0.005","90","","1888.49","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C76 H80 N8 O20 S4 -","4","2","","Feng, Huan-Xi; Tan, Rui; Liu, Yan-Kai","An Efficient One-Pot Approach to the Construction of Chiral Nitrogen-Containing Heterocycles under Mild Conditions.","Organic letters","2015","17","15","3794","3797","10.1021/acs.orglett.5b01772","","","1.54184","CuKα","","0.07","0.0534","","","0.1288","0.1436","","","","","","1.048","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529258","11.4678","0.0017","19.447","0.003","15.154","0.002","90","","112.202","0.002","90","","3129","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H15 N4 O0.5 -","- C19.5 H15 N4 O0.5 -","- C156 H120 N32 O4 -","8","2","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0578","0.0395","","","0.096","0.1068","","","","","","1.039","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529259","8.5758","0.0012","14.436","0.002","17.199","0.003","79.43","0.004","89.672","0.004","84.686","0.005","2084","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 F10 Ir N6 O2 P -","- C44 H36 F10 Ir N6 O2 P -","- C88 H72 F20 Ir2 N12 O4 P2 -","2","1","","He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents","Chem. Sci.","2015","6","10","5409","","10.1039/C5SC01955A","","","0.71073","MoKα","","0.0784","0.0585","","","0.1063","0.1128","","","","","","0.992","","","","has coordinates","170926","2020-10-21","18:00:00",""
"1529260","6.2616","0.001","9.355","0.0015","11.752","0.002","87.526","0.01","88.241","0.01","86.453","0.009","686.17","0.19","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0731","0.0478","","","0.1154","0.1276","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529261","25.0795","0.0018","25.0795","0.0018","13.9752","0.0013","90","","90","","120","","7612.5","1","135","0.5","135","0.5","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H19 N O -","- C20 H19 N O -","- C360 H342 N18 O18 -","18","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0699","0.0483","","","0.1181","0.1262","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529262","14.0542","0.001","15.9871","0.0011","7.7187","0.0004","90","","91.974","0.004","90","","1733.25","0.19","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0915","0.0723","","","0.1985","0.2098","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529263","7.5352","0.0003","16.1007","0.0006","30.3669","0.0012","90","","90","","90","","3684.2","0.2","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0535","0.0433","","","0.1077","0.114","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529264","7.2261","0.0003","13.4245","0.0005","18.999","0.0009","90","","90","","90","","1843.03","0.13","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0662","0.0523","","","0.1154","0.1215","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529265","12.0196","0.0011","12.4522","0.0011","14.0202","0.0014","94.894","0.004","114.29","0.004","113.544","0.004","1673.4","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","2","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0998","0.0737","","","0.1912","0.2168","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529271","9.1757","0.0012","12.3163","0.0016","2.9978","0.0004","90","","90","","90","","338.78","0.08","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B4 Mn5.64 Ni6.36 O20 -","- B4 Mn5.64 Ni6.36 O20 -","- B4 Mn5.64 Ni6.36 O20 -","1","0.125","","Bezmaternykh, Leonard; Kolesnikova, Evgeniya; Eremin, Evgeniy; Seryotkin, Yuriy; Molokeev, Maxim; Volkov, Nikita","Spin-lattice coupling and peculiarities of magnetic behavior of ferrimagnetic ludwigites Mn0.5(2+)M1.5(2+)Mn(3+)BO5 (M=Cu, Ni)","Solid State Phenomena","2015","233","0","133","","10.4028/www.scientific.net/SSP.233-234.133","","","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0691","","","","","","1.171","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529272","6.092385","0.00007","6.092385","0.00007","6.092385","0.00007","90","","90","","90","","226.132","0.005","300","","300","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F6.82 N3 Sn -","- F6.8248 N3 Sn -","- F6.8248 N3 Sn -","1","0.0208333","","Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey","Structural transformation between two cubic phases of (NH4)3SnF7","Journal of Fluorine Chemistry","2015","179","0","86","","10.1016/j.jfluchem.2015.06.024","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.74","1.306","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529273","12.0866","0.0001","12.0866","0.0001","12.0866","0.0001","90","","90","","90","","1765.68","0.03","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Sn -","- F7 H12 N3 Sn -","- F56 H96 N24 Sn8 -","8","0.333333","","Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey","Structural transformation between two cubic phases of (NH4)3SnF7","Journal of Fluorine Chemistry","2015","179","0","86","","10.1016/j.jfluchem.2015.06.024","","","0.71073","MoKα","","0.0542","0.0254","","","0.0699","0.0881","","","","","","1.074","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529274","7.33924","0.0003","11.4246","0.00046","5.22523","0.00024","90","","134.368","0.002","90","","313.2","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Gd2 O16 W4 -","- Ca Gd2 O16 W4 -","- Ca Gd2 O16 W4 -","1","0.125","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor","Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4_Er3+Yb3+ phosphors with incommensurately modulated structure","Journal of Solid State Chemistry","2015","228","0","160","","10.1016/j.jssc.2015.04.032","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.47","1.496","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529275","7.32393","0.00032","11.41202","0.0005","5.21863","0.00025","90","","134.279","0.002","90","","312.28","0.03","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca Er0.2 Gd1.8 O16 W4 -","- Ca Er0.2 Gd1.8 O16 W4 -","- Ca Er0.2 Gd1.8 O16 W4 -","1","0.125","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor","Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4:Er3+/Yb3+ phosphors with incommensurately modulated structure","Journal of Solid State Chemistry","2015","228","0","160","","10.1016/j.jssc.2015.04.032","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.84","1.49","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529276","7.29238","0.00053","11.39539","0.00081","5.20988","0.0004","90","","134.098","0.0036","90","","310.91","0.04","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca Er0.1 Gd1.7 O16 W4 Yb0.2 -","- Ca Er0.1 Gd1.7 O16 W4 Yb0.2 -","- Ca Er0.1 Gd1.7 O16 W4 Yb0.2 -","1","0.125","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor","Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4:Er3+/Yb3+ phosphors with incommensurately modulated structure","Journal of Solid State Chemistry","2015","228","0","160","","10.1016/j.jssc.2015.04.032","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.03","1.895","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529277","7.31297","0.00036","11.38508","0.00055","5.20846","0.00029","90","","134.325","0.0023","90","","310.23","0.03","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca Er0.05 Gd1.5 O16 W4 Yb0.45 -","- Ca Er0.05 Gd1.5 O16 W4 Yb0.45 -","- Ca Er0.05 Gd1.5 O16 W4 Yb0.45 -","1","0.125","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Alexandr; Atuchin, Victor","Microwave sol-gel synthesis and upconversion photoluminescence properties of CaGd2(WO4)4_Er3+Yb3+ phosphors with incommensurately modulated structure","Journal of Solid State Chemistry","2015","228","0","160","","10.1016/j.jssc.2015.04.032","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.57","1.798","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529278","6.911","0.001","7.727","0.001","12.082","0.002","101.66","0.01","97.22","0.01","106.59","0.01","593.91","0.16","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O6 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","1","","Itoh, Takahito; Nomura, Shinji; Nakasho, Hirofumi; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Halogen Bond Effect for Single-Crystal-to-Single-Crystal Transformation: Topochemical Polymerization of Substituted Quinodimethane","Macromolecules","2015","48","15","5450","","10.1021/acs.macromol.5b01078","","","1.5419","CuKα","","","0.059","","","","0.1607","","","","","","1.845","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529279","6.795","0.002","8.051","0.002","11.928","0.003","98.28","0.02","103.43","0.02","106.3","0.02","593.7","0.3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","1","","Itoh, Takahito; Nomura, Shinji; Nakasho, Hirofumi; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Halogen Bond Effect for Single-Crystal-to-Single-Crystal Transformation: Topochemical Polymerization of Substituted Quinodimethane","Macromolecules","2015","48","15","5450","","10.1021/acs.macromol.5b01078","","","1.5419","CuKα","","","0.1324","","","","0.2992","","","","","","1.322","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529280","8.8383","0.0014","21.101","0.002","6.6024","0.0008","90","","91.311","0.011","90","","1231","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C68 H52 N4 -","4","1","","Mandal, Sumana; Mahato, Sujit; Jana, Chandan K.","Direct β-C(sp(3))-H Functionalization of Aliphatic Amines to α,β-Unsaturated Imines, Aldehydes, and Chromenes.","Organic letters","2015","17","15","3762","3765","10.1021/acs.orglett.5b01744","","","0.71073","MoKα","","0.1363","0.0699","","","0.1329","0.1756","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529281","17.7457","0.0008","5.8725","0.0003","20.1502","0.0009","90","","103.189","0.001","90","","2044.5","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones.","Organic letters","2015","17","15","3846","3849","10.1021/acs.orglett.5b01825","","","0.71073","MoKα","","0.0505","0.036","","","0.0841","0.0929","","","","","","1.028","","","","has coordinates","154765","2020-10-21","18:00:00",""
"1529282","29.2958","0.0017","6.1415","0.0003","15.5413","0.0009","90","","90","","90","","2796.2","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C136 H104 Br8 O16 -","8","2","","Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones.","Organic letters","2015","17","15","3846","3849","10.1021/acs.orglett.5b01825","","","0.71073","MoKα","","0.0492","0.0384","","","0.091","0.1152","","","","","","1.086","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529283","10.1466","0.0003","10.1835","0.0003","16.6612","0.0004","90","","90","","90","","1721.57","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0684","0.0486","","","0.0997","0.1084","","","","","","1.019","","","","has coordinates","154770","2020-10-21","18:00:00",""
"1529284","8.2578","0.0003","7.6701","0.0003","12.4589","0.0005","90","","99.389","0.003","90","","778.55","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C34 H54 N2 O4 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","","1.54178","CuKα","","0.0423","0.0389","","","0.1047","0.1103","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529285","8.5383","0.0005","7.6057","0.0004","12.8523","0.0008","90","","104.589","0.007","90","","807.71","0.09","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0517","0.0377","","","0.0666","0.0686","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529286","11.135","0.002","11.644","0.003","12.132","0.003","97.161","0.002","111.866","0.002","112.432","0.002","1282.5","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","- C60 H64 O6 P2 -","1","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0716","0.0447","","","0.1002","0.1149","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529287","12.0579","0.0014","17.329","0.002","27.445","0.003","90","","91.263","0.001","90","","5733.3","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl12 O6 P2 -","- C50 H52 Cl12 O6 P2 -","- C200 H208 Cl48 O24 P8 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0582","0.0421","","","0.1021","0.1097","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529288","24.148","0.008","23.858","0.008","22.983","0.008","90","","117.759","0.004","90","","11717","7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C608 H384 O48 P16 -","4","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1705","0.142","","","0.3361","0.3457","","","","","","1.293","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529289","34.54","0.002","42.038","0.003","17.4446","0.0011","90","","100.248","0.003","90","","24925","3","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C152 H96 O12 P4 -","- C152 H96 O12 P4 -","- C1216 H768 O96 P32 -","8","1","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1835","0.1314","","","0.2918","0.3117","","","","","","1.233","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529290","25.827","0.005","22.684","0.004","22.259","0.004","90","","99.466","0.002","90","","12863","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C156 H100 Cl12 O12 P4 -","- C156 H100 Cl12 O12 P4 -","- C624 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.1467","0.1035","","","0.2271","0.2534","","","","","","1.365","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529291","21.98","0.005","17.101","0.004","17.472","0.004","90","","90","","90","","6567","3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C164 H98 Cl6 O12 P4 -","- C164 H98 Cl6 O12 P4 -","- C328 H196 Cl12 O24 P8 -","2","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.0771","0.058","","","0.1234","0.1303","","","","","","1.073","","","","has coordinates,has disorder","170994","2020-10-21","18:00:00",""
"1529292","34.079","0.012","13.764","0.005","27.024","0.01","90","","103.463","0.004","90","","12328","8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C166 H100 Cl12 O12 P4 -","- C166 H100 Cl12 O12 P4 -","- C664 H400 Cl48 O48 P16 -","4","0.5","","Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya","Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities","Chem. Sci.","2015","6","11","6373","","10.1039/C5SC02224J","","","0.71073","MoKα","","0.199","0.1447","","","0.3479","0.3803","","","","","","1.416","","","","has coordinates","170994","2020-10-21","18:00:00",""
"1529293","8.8494","0.0015","10.974","0.002","17.557","0.004","90","","90","","90","","1705","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0317","","","","0.0791","","","","","","1.041","","","","has coordinates","154766","2020-10-21","18:00:00",""
"1529294","10.3796","0.0014","12.9633","0.0017","14.3864","0.0019","71.474","0.011","71.763","0.012","68.137","0.01","1661.2","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","2","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0565","","","","0.1773","","","","","","1.123","","","","has coordinates","154766","2020-10-21","18:00:00",""
"1529295","14.615","0.01","16.834","0.012","16.342","0.013","90","","112.456","0.008","90","","3716","5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 Cl Cr N2 O5 -","- C32 H50 Cl Cr N2 O5 -","- C128 H200 Cl4 Cr4 N8 O20 -","4","1","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.1168","0.0965","","","0.2448","0.2625","","","","","","1.082","","","","has coordinates,has disorder","155248","2020-10-21","18:00:00",""
"1529296","8.751","0.004","11.96","0.005","20.098","0.009","95.039","0.007","97.965","0.009","92.325","0.003","2072.2","1.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H51 Cl4 Cr N4 O4 -","- C38.5 H48 Cl4 Cr N4 O4 -","- C77 H96 Cl8 Cr2 N8 O8 -","2","1","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.0659","0.0616","","","0.1496","0.1535","","","","","","1.059","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529297","17.119","0.003","11.491","0.0018","37.818","0.006","90","","90","","90","","7439","2","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H54 Cl Cr N2 O6 -","- C38 H54 Cl Cr N2 O6 -","- C304 H432 Cl8 Cr8 N16 O48 -","8","2","","Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates","Polym. Chem.","2015","6","35","6305","","10.1039/C5PY01028D","","","0.71075","MoKα","","0.0477","0.0446","","","0.1133","0.1177","","","","","","1.068","","","","has coordinates","155248","2020-10-21","18:00:00",""
"1529298","9.9993","0.0002","12.9855","0.0002","13.4171","0.0002","90","","110.184","0.002","90","","1635.17","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H44 N4 O6 -","- C40 H44 N4 O6 -","- C80 H88 N8 O12 -","2","1","","Zhang, Wei; Huang, Xiao-Jun; Zhang, Sheng-Yuan; Zhang, Dong-Mei; Jiang, Ren-Wang; Hu, Jian-Yang; Zhang, Xiao-Qi; Wang, Lei; Ye, Wen-Cai","Geleganidines A-C, Unusual Monoterpenoid Indole Alkaloids from Gelsemium elegans.","Journal of natural products","2015","78","8","2036","2044","10.1021/acs.jnatprod.5b00351","","","1.54178","CuKα","","0.0435","0.0404","","","0.1044","0.1088","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529299","8.3147","0.0006","19.2037","0.0013","14.1567","0.001","90","","102.128","0.002","90","","2210","0.3","120","2","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H68 N6 O9 -","- C43 H67 N6 O9 -","- C86 H134 N12 O18 -","2","1","","Cayuela, Angelina; Kennedy, Stuart R.; Soriano, M. Laura; Jones, Christopher D.; Valcárcel, Miguel; Steed, Jonathan W.","Fluorescent carbon dot‒molecular salt hydrogels","Chem. Sci.","2015","6","11","6139","","10.1039/C5SC01859E","","","0.71073","MoKα","","0.0695","0.0572","","","0.1404","0.1492","","","","","","1.029","","","","has coordinates,has disorder","170980","2020-10-21","18:00:00",""
"1529300","8.5132","0.0005","21.0477","0.0013","7.2003","0.0004","90","","113.595","0.002","90","","1182.31","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N3 O2 -","- C13 H14 N3 O2 -","- C52 H56 N12 O8 -","4","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","","0.71073","MoKα","","0.0502","0.0463","","","0.129","0.1325","","","","","","1.064","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529301","6.2877","0.0007","8.8655","0.0009","12.0399","0.0013","102.993","0.005","91.548","0.006","92.63","0.006","652.79","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C26 H36 N6 O6 -","2","1","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","1.54178","CuKα","","0.049","0.0427","","","0.1156","0.1203","","","","","","1.059","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529302","5.0339","0.0009","37.994","0.007","7.136","0.0011","90","","110.533","0.011","90","","1278.1","0.4","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Cl2 N6 O5 -","- C24 H29 Cl2 N6 O5 -","- C48 H58 Cl4 N12 O10 -","2","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.0944","0.0751","","","0.1702","0.178","","","","","","1.188","","","","has coordinates","170938","2020-10-21","18:00:00",""
"1529303","14.0292","0.0011","22.3313","0.0016","9.5059","0.001","90","","92.95","0.002","90","","2974.2","0.4","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H26 F7.5 N6 Na0.5 O9 -","- C26 H26 F7.5 N6 Na0.5 O9 -","- C104 H104 F30 N24 Na2 O36 -","4","0.5","","Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak","Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions","Chem. Sci.","2015","6","10","5984","","10.1039/C5SC01208B","","x-ray","0.71073","MoKα","","0.1943","0.1119","","","0.2863","0.3458","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529304","9.0223","0.0006","35.5424","0.0015","9.3818","0.0006","90","","118.65","0.003","90","","2640.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C108 H144 O36 -","12","3","","Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault","Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation","Energy Environ. Sci.","2015","8","9","2734","","10.1039/C5EE01304F","","","0.71073","MoKα","","0.0628","0.0445","","","0.1204","0.1291","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529305","18.8855","0.0012","7.9784","0.0006","11.2136","0.0006","90","","90","","90","","1689.62","0.19","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault","Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation","Energy Environ. Sci.","2015","8","9","2734","","10.1039/C5EE01304F","","","0.71073","MoKα","","0.0378","0.0327","","","0.0793","0.0815","","","","","","1.079","","","","has coordinates","161987","2020-10-21","18:00:00",""
"1529306","7.9409","0.0005","6.3235","0.0006","13.5701","0.0009","90","","97.834","0.006","90","","675.05","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","","Hyldgaard, Mette G.; Purup, Stig; Bond, Andrew D.; Fretté, Xavier C; Qu, Haiyan; Jensen, Katrine T.; Christensen, Lars P.","Guaianolides and a seco-Eudesmane from the Resinous Exudates of Cushion Bush (Leucophyta brownii) and Evaluation of Their Cytostatic and Anti-inflammatory Activity.","Journal of natural products","2015","78","8","1877","1885","10.1021/acs.jnatprod.5b00208","","","0.7107","MoKα","","0.053","0.0424","","","0.0983","0.1025","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529307","14.1631","0.0005","11.4869","0.0004","16.4977","0.0005","90","","94.808","0.001","90","","2674.57","0.16","176","2","176","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O7 Si -","- C29 H36 O7 Si -","- C116 H144 O28 Si4 -","4","1","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0585","0.0498","","","0.1254","0.1311","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529308","20.8774","0.0006","15.8099","0.0005","30.488","0.0009","90","","99.1261","0.0018","90","","9935.8","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","beta-to-beta Pt(II)-bridged diporphyrin","","- C106 H120 Cl6 N8 Pt -","- C106 H120 Cl6 N8 Pt -","- C424 H480 Cl24 N32 Pt4 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0707","","","0.1632","0.1792","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529309","14.8426","0.0003","20.11","0.0004","21.2677","0.0004","63.3696","0.0007","78.2695","0.0007","71.6398","0.0007","5371.33","0.19","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","beta-to-beta Pt(II)-bridged Zn(II) diporphyrin","","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C111 H123 Cl9 N8 O4 Pt Zn2 -","- C222 H246 Cl18 N16 O8 Pt2 Zn4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0946","0.0791","","","0.2151","0.2363","","","","","","1.011","","","","has coordinates,has disorder","170988","2020-10-21","18:00:00",""
"1529310","19.4832","0.001","20.2466","0.0016","21.267","0.003","86.76","0.02","81.4","0.02","67.434","0.011","7659.8","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","2-2, 18-18-doubly Pt(II)-bridged Ni(II) diporphyrin","","- C147.31 H169.64 Cl21.9 N8 Ni2 Pt2 -","- C147.31 H169.635 Cl21.9 N8 Ni2 Pt2 -","- C294.62 H339.27 Cl43.8 N16 Ni4 Pt4 -","2","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0701","0.0685","","","0.1561","0.157","","","","","","1.068","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529311","64.086","0.014","12.967","0.003","40.547","0.008","90","","102.6","0.005","90","","32883","12","93","2","93","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","2-2 Pt(II)(PPh3)2-bridged 18-18 directlylinked Ni(II) diporphyrin","","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C164.8 H174 Cl12 N8 Ni2 O P2 Pt -","- C1318.4 H1392 Cl96 N64 Ni16 O8 P16 Pt8 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.1095","0.0947","","","0.2538","0.271","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529312","31.53","0.01","8.731","0.002","36.552","0.013","90","","113.582","0.011","90","","9222","5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-2-directly-linked Zn(II) diporphyrin","","- C107 H113 Cl3 N10 Zn2 -","- C107 H113 Cl3 N10 Zn2 -","- C428 H452 Cl12 N40 Zn8 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro","Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations","Chem. Sci.","2015","6","11","6102","","10.1039/C5SC02553B","","","1.54187","CuKα","","0.0754","0.0553","","","0.147","0.1642","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529313","10.2391","0.0006","11.4922","0.0006","24.9637","0.0012","91.304","0.0013","98.318","0.0017","114.935","0.0014","2624.1","0.2","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C27 H29 Br N O6 P -","- C27 H29 Br N O6 P -","- C108 H116 Br4 N4 O24 P4 -","4","4","","Horwitz, Matthew A.; Tanaka, Naoya; Yokosaka, Takuya; Uraguchi, Daisuke; Johnson, Jeffrey S.; Ooi, Takashi","Enantioselective reductive multicomponent coupling reactions between isatins and aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6086","6090","10.1039/C5SC02170G","","","0.71073","MoKα","","0.0453","0.0399","","","0.1044","0.1249","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529314","10.072","0.002","38.683","0.008","14.706","0.003","90","","98.28","0.03","90","","5670","2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 Co2 F12 N8 O5 -","- C52 H66 Co2 F12 N8 O5 -","- C208 H264 Co8 F48 N32 O20 -","4","1","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1184","0.0609","","","0.1429","0.1731","","","","","","1.0361","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529315","10.8136","0.0003","27.533","0.0007","29.5266","0.0008","90","","90","","90","","8791","0.4","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C44 H52 Co2 K2 N6 O4 -","- C44 H52 Co2 K2 N6 O4 -","- C352 H416 Co16 K16 N48 O32 -","8","","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","1.54178","CuKα","","0.0315","0.0288","","","0.0791","0.0811","","","","","","1.028","","","","has coordinates","170996","2020-10-21","18:00:00",""
"1529316","14.064","0.003","14.064","0.003","27.143","0.005","90","","90","","120","","4649.5","1.6","110","2","110","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C70 H79 Co2 N9 O4 -","- C70 H79 Co2 N9 O4 -","- C210 H237 Co6 N27 O12 -","3","0.5","","Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.","Cobalt catalyzed sp3C‒H amination utilizing aryl azides","Chem. Sci.","2015","6","11","6672","","10.1039/C5SC01162K","","","0.71073","MoKα","","0.1305","0.0814","","","0.2058","0.2493","","","","","","1.052","","","","has coordinates,has disorder","170996","2020-10-21","18:00:00",""
"1529317","8.499","","8.394","","11.73","","90","","104.19","","90","","811.292","","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 I N5 -","- C16 H14 I N5 -","- C32 H28 I2 N10 -","2","1","","Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K.","Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.","Journal of medicinal chemistry","2015","58","15","5930","5941","10.1021/acs.jmedchem.5b00529","","","1.5418","CuKα","","0.0654","0.0613","","","0.1525","0.164","","","","","","1.217","","","","has coordinates","154669","2020-10-21","18:00:00",""
"1529318","13.6047","0.0005","7.4884","0.0002","17.5684","0.0005","90","","101.622","0.003","90","","1753.13","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Liu, Yayue; Yang, Qin; Xia, Guoping; Huang, Hongbo; Li, Hanxiang; Ma, Lin; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang","Polyketides with α-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.","Journal of natural products","2015","78","8","1816","1822","10.1021/np500885f","","","1.54178","CuKα","","0.0512","0.0474","","","0.1236","0.1275","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529319","10.03328","0.00013","8.81362","0.00011","5.529646","0.00009","90","","108.921","0.00099","90","","462.561","0.012","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe2 Ge4 Li Na O12 -","- Fe2 Ge4 Li Na O12 -","- Fe4 Ge8 Li2 Na2 O24 -","2","0.25","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; S.V. Misyul; V.S. Bondarev; D.A. Velikanov; M. Frontzek; J. Schefer","Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6","Journal of Magnetism and Magnetic Materials","2015","385","0","243","249","10.1016/j.jmmm.2015.03.016","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.85","1.68","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529320","9.9692","0.0003","8.85448","0.00026","5.47516","0.00018","90","","108.494","0.0011","90","","458.34","0.02","133","","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Fe2 Ge4 Li Na O12 -","- Fe2 Ge4 Li Na O12 -","- Fe4 Ge8 Li2 Na2 O24 -","2","0.5","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; S.V. Misyul; V.S. Bondarev; D.A. Velikanov; M. Frontzek; J. Schefer","Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6","Journal of Magnetism and Magnetic Materials","2015","385","0","243","249","10.1016/j.jmmm.2015.03.016","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.53","1.675","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529321","36.2659","0.0002","36.2659","0.0002","36.2659","0.0002","90","","90","","90","","47697.5","0.5","150","2","150","2","","","","","","","","4","F 4 3 2","F 4 2 3","209","","","","- C56 H68 N4 O13 -","- C56 H68 N4 O13 -","- C1344 H1632 N96 O312 -","24","0.25","","Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I.","Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy","Chem. Sci.","2015","6","11","6133","","10.1039/C5SC02196K","","","1.54178","CuKα","","0.1253","0.1157","","","0.3037","0.3188","","","","","","1.323","","","","has coordinates,has disorder","170985","2020-10-21","18:00:00",""
"1529322","11.3191","0.0005","11.464","0.0005","18.1291","0.0007","93.847","0.003","101.554","0.003","114.578","0.003","2065.9","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-isopropyl-1-(4-methoxyphenyl)-5-(o-tolyl)-1H-pyrrole-2-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","2","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0902","0.0515","","","0.1329","0.1745","","","","","","1.03","","","","has coordinates","170986","2020-10-21","18:00:00",""
"1529323","9.9721","0.0005","14.3477","0.0007","15.3171","0.001","90","","106.912","0.002","90","","2096.7","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-oxo-2,10b-diphenyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-3-carboxylate","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Tan, Wei Wen; Yoshikai, Naohiko","Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles","Chem. Sci.","2015","6","11","6448","","10.1039/C5SC02322J","","","0.71073","MoKα","","0.0895","0.0528","","","0.1302","0.1661","","","","","","1.098","","","","has coordinates","170986","2020-10-21","18:00:00",""
"1529324","9.3667","0.0013","13.6119","0.0019","13.6823","0.0019","77.1774","0.0015","87.8299","0.0016","79.1523","0.0016","1670.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H19 Bi F9 N5 O9 S3 -","- C25 H19 Bi F9 N5 O9 S3 -","- C50 H38 Bi2 F18 N10 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0646","0.0517","","","0.1394","0.1466","","","","","","1.053","","","","has coordinates","170991","2020-10-21","18:00:00",""
"1529325","11.6535","0.0004","14.5562","0.0005","14.588","0.0005","88.2712","0.0004","80.7875","0.0004","88.0482","0.0004","2440.47","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H51 F9 N5 O9 P S3 -","- C41 H51 F9 N5 O9 P S3 -","- C82 H102 F18 N10 O18 P2 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0651","0.0502","","","0.1278","0.1398","","","","","","1.047","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529326","15.0217","0.0006","18.4434","0.0008","31.1243","0.0013","93.909","0.0006","101.339","0.0006","99.3536","0.0006","8297.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.67 H56.5 As F9 N6.83 O9 S3 -","- C44.6667 H56.5 As F9 N6.83333 O9 S3 -","- C268 H339 As6 F54 N41 O54 S18 -","6","3","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0734","0.0451","","","0.1061","0.1208","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529327","14.0078","0.0005","17.6534","0.0006","22.0396","0.0007","90","","108.34","0.0004","90","","5173.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 F9 N5 O9 S3 Sb -","- C41 H51 F9 N5 O9 S3 Sb -","- C164 H204 F36 N20 O36 S12 Sb4 -","4","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0324","0.0292","","","0.0761","0.0788","","","","","","1.036","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529328","13.2699","0.0007","15.788","0.0008","20.4958","0.001","76.0415","0.0007","87.922","0.0007","73.566","0.0007","3994.6","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34.5 F9 N7.5 O9 P S3 -","- C25 H31.5 F9 N6.5 O9 P S3 -","- C100 H126 F36 N26 O36 P4 S12 -","4","2","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0746","0.0544","","","0.1577","0.1744","","","","","","1.087","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529329","12.3457","0.0011","13.3802","0.0012","14.5721","0.0013","81.4461","0.0011","66.6056","0.001","72.0828","0.0011","2101.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 As F9 N8 O9 S3 -","- C28 H36 As F9 N8 O9 S3 -","- C56 H72 As2 F18 N16 O18 S6 -","2","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","","0.71073","MoKα","","0.0446","0.0364","","","0.096","0.1008","","","","","","1.056","","","","has coordinates","170991","2020-10-21","18:00:00",""
"1529330","28.5371","0.0009","13.8414","0.0005","21.8775","0.0007","90","","124.553","0.0013","90","","7117.1","0.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 F9 N6 O9 P S3 -","- C27 H22 F9 N6 O9 P S3 -","- C216 H176 F72 N48 O72 P8 S24 -","8","1","","Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J.","Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations","Chem. Sci.","2015","6","11","6545","","10.1039/C5SC02423D","","x-ray","0.71073","MoKα","","0.0671","0.0491","","","0.109","0.1157","","","","","","1.13","","","","has coordinates,has disorder","170991","2020-10-21","18:00:00",""
"1529344","12.3376","0.001","19.514","0.002","7.6624","0.0009","90","","102.727","0.009","90","","1799.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Br O6 P S -","- C13 H18 Br O6 P S -","- C52 H72 Br4 O24 P4 S4 -","4","1","","Rodrigues, Alessandro; Olivato, Paulo R.; Zukerman-Schpector, Julio; Maganhi, Stella H.; Reis, Adriana K. C. A.; Tiekink, Edward R. T.","Molecular Structures of Isomeric Ortho, Meta, and Para Bromo-Substituted α-Methylsulfonyl-α-diethoxyphosphoryl Acetophenones by X-ray and DFT Molecular Orbital Calculations.","The journal of physical chemistry. A","2015","119","32","8714","8723","10.1021/acs.jpca.5b04019","","","0.71073","MoKα","","0.1829","0.0463","","","0.084","0.1124","","","","","","0.964","","","","has coordinates,has disorder","154717","2020-10-21","18:00:00",""
"1529345","14.2754","0.0005","16.7152","0.0006","18.3801","0.0007","66.601","0.002","89.641","0.002","87.421","0.002","4020.7","0.3","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","(PNP)Ir=C=C(4-Me-C6H4)(Bpin)","","- C41 H59 B Ir N O2 P2 -","- C41 H59 B Ir N O2 P2 -","- C164 H236 B4 Ir4 N4 O8 P8 -","4","2","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0375","0.0258","","","0.0536","0.0559","","","","","","0.997","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529346","15.139","0.002","11.8769","0.0019","23.409","0.004","90","","95.654","0.002","90","","4188.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(Bpin)2","","- C38 H64 B2 Ir N O4 P2 -","- C38 H64 B2 Ir N O4 P2 -","- C152 H256 B8 Ir4 N4 O16 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","0.71073","MoKα","","0.0394","0.0296","","","0.0638","0.0678","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529347","14.781","0.005","26.065","0.009","12.544","0.005","90","","107.16","0.019","90","","4618","3","110.15","","110.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(pi-alkynylboronate)","","- C47 H61 B F4 Ir N O2 P2 -","- C47 H61 B F4 Ir N O2 P2 -","- C188 H244 B4 F16 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.1014","0.0662","","","0.1512","0.1707","","","","","","1.015","","","","has coordinates,has disorder","170997","2020-10-21","18:00:00",""
"1529348","14.792","0.003","17.546","0.002","14.1242","0.0019","90","","110.435","0.006","90","","3435.1","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PNP)Ir(H)(Bpin)","","- C32 H53 B Ir N O2 P2 -","- C32 H53 B Ir N O2 P2 -","- C128 H212 B4 Ir4 N4 O8 P8 -","4","1","","Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes","Chem. Sci.","2015","6","11","6572","","10.1039/C5SC02161H","","","1.54178","CuKα","","0.0382","0.0303","","","0.0707","0.0726","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529349","10.6416","0.0003","13.3076","0.0006","17.3445","0.0005","90","","92.328","0.002","90","","2454.2","0.15","293","2","293.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C72 H124 Cl4 Cu4 O12 P4 S4 -","2","1","","Wang, Ding; Cao, Peng; Wang, Bing; Jia, Tao; Lou, Yazhou; Wang, Min; Liao, Jian","Copper(I)-Catalyzed Asymmetric Pinacolboryl Addition of N-Boc-imines Using a Chiral Sulfoxide-Phosphine Ligand.","Organic letters","2015","17","10","2420","2423","10.1021/acs.orglett.5b00934","","","0.71073","MoKα","","0.0651","0.0471","","","0.1096","0.1219","","","","","","1.023","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529350","11.4371","0.0003","13.3473","0.0003","22.4306","0.0007","90","","101.301","0.001","90","","3357.74","0.16","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br F3 N2 O2 S -","- C16 H10 Br F3 N2 O2 S -","- C128 H80 Br8 F24 N16 O16 S8 -","8","1","","Lee, Eunsook; Ryu, Taekyu; Shin, Eunji; Son, Jeong-Yu; Choi, Wonseok; Lee, Phil Ho","Synthesis of 2-bromoimidazoles from alkynes, N-sulfonylazides, and bromocyanides.","Organic letters","2015","17","10","2470","2473","10.1021/acs.orglett.5b00977","","","0.71073","MoKα","","0.0926","0.0665","","","0.1674","0.1872","","","","","","1.043","","","","has coordinates","152782","2020-10-21","18:00:00",""
"1529351","30.669","0.006","9.919","0.002","19.894","0.004","90","","110.18","0.03","90","","5680","2","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18 -","- C4 H48 K0.274 N16 Ni2 O4 Rb7.725 Si18 -","- C16 H192 K1.096 N64 Ni8 O16 Rb30.9 Si72 -","4","0.5","","Gärtner, Stefanie; Hamberger, Markus; Korber, Nikolaus","The First Chelate-Free Crystal Structure of a Silicide Transition Metal Complex [K0.28Rb7.72Si9Ni(CO)2]2·16NH3","Crystals","2015","5","3","275","","10.3390/cryst5030275","","","0.71073","MoKα","","0.0568","0.0349","","","0.0667","0.0711","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1529352","8.0275","0.001","7.8676","0.0013","34.961","0.005","90","","90.106","0.009","90","","2208","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bis(1,3-Dithiolylidene) 4,5,7-trinitro-9-fluorenone-2-carboxylic acid","","- C20 H9 N3 O9 S4 -","- C20 H9 N3 O9 S4 -","- C80 H36 N12 O36 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions","Crystals","2015","5","3","283","","10.3390/cryst5030283","","","0.71073","MoKα","","0.0873","0.049","","","0.1196","0.1458","","","","","","1.037","","","","has coordinates","152922","2020-10-21","18:00:00",""
"1529353","19.078","0.005","7.2068","0.0014","19.443","0.004","90","","117.833","0.012","90","","2364","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bis(1,3-Dithiolylidene) 4,5,7-trinitro-9-fluorenone-2-carboxylic acid methyl ester","","- C21 H11 N3 O9 S4 -","- C21 H11 N3 O9 S4 -","- C84 H44 N12 O36 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions","Crystals","2015","5","3","283","","10.3390/cryst5030283","","","0.71073","MoKα","","0.1057","0.0482","","","0.0971","0.1161","","","","","","1.002","","","","has coordinates","152922","2020-10-21","18:00:00",""
"1529354","8.7358","0.0012","9.1761","0.0012","19.689","0.002","90","","116.096","0.008","90","","1417.4","0.3","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 O2 Se -","- C14 H22 O2 Se -","- C56 H88 O8 Se4 -","4","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","0.71073","MoKα","","0.0888","0.0567","","","0.1414","0.1529","","","","","","1.024","","","","has coordinates,has disorder","152923","2020-10-21","18:00:00",""
"1529355","15.7046","0.0002","8.83038","0.00016","19.1603","0.0003","90","","90","","90","","2657.1","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 Te -","- C14 H16 O4 Te -","- C112 H128 O32 Te8 -","8","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","1.54184","CuKα","","0.053","0.048","","","0.1271","0.133","","","","","","1.039","","","","has coordinates,has disorder","152924","2020-10-21","18:00:00",""
"1529356","15.034","0.0013","8.5925","0.0007","10.4102","0.0008","90","","112.358","0.004","90","","1243.69","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O4 Se -","- C14 H16 O4 Se -","- C56 H64 O16 Se4 -","4","0.5","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","0.71073","MoKα","","0.0269","0.0237","","","0.0597","0.0609","","","","","","1.099","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1529357","5.2482","0.0009","6.533","0.0011","10.6128","0.0018","90.532","0.01","102.774","0.011","109.139","0.01","333.93","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 Mn N8 O8 -","- C6 H14 Mn N8 O8 -","- C6 H14 Mn N8 O8 -","1","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0603","0.0514","","","0.0828","0.0857","","","","","","1.226","","","","has coordinates","152926","2020-10-21","18:00:00",""
"1529358","9.537","0.003","6.865","0.002","17.12","0.005","90","","90","","90","","1120.9","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 N8 O5 Zn -","- C6 H8 N8 O5 Zn -","- C24 H32 N32 O20 Zn4 -","4","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0568","0.0393","","","0.0867","0.0944","","","","","","1.19","","","","has coordinates","152927","2020-10-21","18:00:00",""
"1529359","8.1472","0.0006","9.9846","0.0007","9.3679","0.0006","90","","113.994","0.004","90","","696.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0474","0.0388","","","0.0896","0.0935","","","","","","0.993","","","","has coordinates","152928","2020-10-21","18:00:00",""
"1529360","8.9893","0.0013","8.9785","0.0013","13.9642","0.0016","90","","108.117","0.005","90","","1071.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 O5 -","- C6 H8 Cd N8 O5 -","- C24 H32 Cd4 N32 O20 -","4","1","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0481","0.0432","","","0.1128","0.115","","","","","","1.137","","","","has coordinates","152929","2020-10-21","18:00:00",""
"1529361","27.111","0.006","12.697","0.003","7.7352","0.0017","90","","90","","90","","2662.7","1","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H26 Fe2 N16 O16 -","- C12 H26 Fe2 N16 O16 -","- C48 H104 Fe8 N64 O64 -","4","0.5","","Liu, Bing; Fernandes, José A; Tomé, João P C; Paz, Filipe A Almeida; Cunha-Silva, Luís","Multidimensional Transition Metal Complexes Based on 3-Amino-1H-1,2,4-triazole-5-carboxylic Acid: From Discrete Mononuclear Complexes to Layered Materials.","Molecules (Basel, Switzerland)","2015","20","7","12341","12363","10.3390/molecules200712341","","","0.71073","MoKα","","0.0877","0.0436","","","0.0807","0.0925","","","","","","1.015","","","","has coordinates","152930","2020-10-21","18:00:00",""
"1529362","15.6612","0.0013","9.6881","0.0008","16.3377","0.001","90","","96.112","0.007","90","","2464.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","1.54184","CuKα","","0.055","0.0423","","","0.111","0.1202","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529363","8.8511","0.0005","9.8863","0.0004","16.5742","0.0006","107.267","0.003","92.876","0.004","90.368","0.004","1382.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Cl2 N6 -","- C34 H26 Cl2 N6 -","- C68 H52 Cl4 N12 -","2","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","0.71073","MoKα","","0.0464","0.0412","","","0.1154","0.1206","","","","","","1.088","","","","has coordinates","154774","2020-10-21","18:00:00",""
"1529364","15.5474","0.0012","9.9548","0.0008","19.6379","0.0015","90","","92.862","0.004","90","","3035.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[k2-(CF2)4-](ItBu)[P(OiPr)3]2","","","- C24 H41 F8 N2 Ni O3 P -","- C24 H41 F8 N2 Ni O3 P -","- C96 H164 F32 N8 Ni4 O12 P4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0399","0.0326","","","0.0838","0.088","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529365","10.8851","0.0004","15.544","0.0006","18.9208","0.0007","90","","90","","90","","3201.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni[k2-(CF2)4-](SIPr)]","","","- C31 H38 F8 N2 Ni -","- C31 H38 F8 N2 Ni -","- C124 H152 F32 N8 Ni4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0318","0.0266","","","0.0643","0.0663","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529366","10.2361","0.0005","16.5042","0.0008","22.6115","0.0011","90","","90.96","0.002","90","","3819.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni[κ1-(cyclo-C4F7)](SIPr)(OTf)","","","- C35 H45 F10 N2 Ni O3 S -","- C35 H45 F10 N2 Ni O3 S -","- C140 H180 F40 N8 Ni4 O12 S4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0727","0.058","","","0.141","0.1513","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529367","9.7181","0.0004","18.216","0.0007","19.2228","0.0007","90","","92.18","0.002","90","","3400.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni[k3-(CF2)3CF(O2CCH3)-}(SIPr)]","","","- C33 H41 F7 N2 Ni O2 -","- C33 H41 F7 N2 Ni O2 -","- C132 H164 F28 N8 Ni4 O8 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.1053","0.0687","","","0.1292","0.1475","","","","","","1.062","","","","has coordinates","170982","2020-10-21","18:00:00",""
"1529368","16.5255","0.0008","10.6186","0.0005","20.8839","0.0009","90","","101.931","0.002","90","","3585.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 F8 N2 Ni O -","- C37 H46 F8 N2 Ni O -","- C148 H184 F32 N8 Ni4 O4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0376","0.0299","","","0.0782","0.0831","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529370","15.9","0.002","21.601","0.003","19.802","0.003","90","","110.332","0.003","90","","6377.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O4 S -","- C22 H18 F3 N O4 S -","- C264 H216 F36 N12 O48 S12 -","12","3","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.215","0.0809","","","0.1456","0.1928","","","","","","0.962","","","","has coordinates","154775","2020-10-21","18:00:00",""
"1529371","12.978","0.004","13.576","0.004","16.636","0.005","84.126","0.006","79.909","0.007","65.828","0.007","2631.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F3 N O5 S -","- C28 H24 F3 N O5 S -","- C112 H96 F12 N4 O20 S4 -","4","2","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.1123","0.0691","","","0.1698","0.1931","","","","","","1.032","","","","has coordinates","154775","2020-10-21","18:00:00",""
"1529372","15.6589","0.0011","9.9834","0.0007","16.2519","0.0012","90","","92.274","0.002","90","","2538.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F3 N O4 S -","- C28 H24 F3 N O4 S -","- C112 H96 F12 N4 O16 S4 -","4","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.1005","0.0489","","","0.106","0.1263","","","","","","0.961","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529373","10.562","0.0012","11.1083","0.0013","11.2554","0.0013","85.47","0.003","66.868","0.003","84.789","0.003","1208","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F3 N O4 S -","- C24 H24 F3 N O4 S -","- C48 H48 F6 N2 O8 S2 -","2","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.0786","0.0523","","","0.142","0.1614","","","","","","0.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529374","11.5958","0.0016","12.0999","0.0017","14.031","0.002","90","","97.891","0.002","90","","1950","0.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","","Zeng, Ting-Ting; Xuan, Jun; Ding, Wei; Wang, Kuan; Lu, Liang-Qiu; Xiao, Wen-Jing","[3 + 2] Cycloaddition/Oxidative Aromatization Sequence via Photoredox Catalysis: One-Pot Synthesis of Oxazoles from 2H-Azirines and Aldehydes.","Organic letters","2015","17","16","4070","4073","10.1021/acs.orglett.5b01994","","","0.71073","MoKα","","0.0693","0.0529","","","0.1371","0.1551","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529375","23.1112","0.0001","15.2701","0.0001","27.7104","0.0002","90","","108.738","0.0004","90","","9260.94","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 N6 O82 P2 Ti4 W20 -","- C104 N6 O82 P2 Ti4 W20 -","- C208 N12 O164 P4 Ti8 W40 -","2","0.5","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.71069","MoKα","","0.0455","0.0381","","","0.1","0.1076","","","","","","1.055","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529376","20.57","0.004","34.716","0.007","54.711","0.011","88.88","0.03","85.12","0.03","79.8","0.03","38312","14","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- O80 P2 Ti4 W20 -","- O80 P2 Ti4 W20 -","- O640 P16 Ti32 W160 -","8","4","","Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species","Catal. Sci. Technol.","2015","5","10","4778","","10.1039/C5CY01031D","","","0.95","synchrotron","","0.1414","0.0999","","","0.2311","0.247","","","","","","0.959","","","","has coordinates","170920","2020-10-21","18:00:00",""
"1529377","9.4895","0.0009","9.9809","0.0009","18.7212","0.0017","88.615","0.002","83.84","0.001","89.586","0.002","1762.4","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O -","- C23 H14 N O -","- C92 H56 N4 O4 -","4","2","","Zhang, Chunyan; Liu, Jianhua; Xia, Chungu","Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines","Catal. Sci. Technol.","2015","5","10","4750","","10.1039/C5CY00993F","","","0.71073","MoKα","","0.0609","0.0517","","","0.1365","0.1431","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529378","11.962","0.007","15.81","0.009","19.746","0.01","97.277","0.006","99.848","0.012","100.275","0.013","3572","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C87 H75 N4 O4 -","- C87 H75 N4 O4 -","- C174 H150 N8 O8 -","2","1","","Katoono, Ryo; Kawai, Shunsuke; Fujiwara, Kenshu; Suzuki, Takanori","Controllability of dynamic double helices: quantitative analysis of the inversion of a screw-sense preference upon complexation","Chem. Sci.","2015","6","11","6592","","10.1039/C5SC02614H","","","0.71075","MoKα","","","0.1048","","","","0.188","","","","","","1.314","","","","has coordinates","170987","2020-10-21","18:00:00",""
"1529381","29.3719","0.0016","14.1615","0.0008","33.703","0.0018","90","","101.172","0.0008","90","","13753.1","1.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potassium CB4(acetone) chloride hydrate","","- C114 H172 Cl K Li0 N47 O38 -","- C114 H146 K N32 O37.884 -","- C456 H584 K4 N128 O151.536 -","4","0.5","","Lu, Xiaoyong; Isaacs, Lyle","Synthesis and Recognition Properties of Enantiomerically Pure Acyclic Cucurbit[n]uril-Type Molecular Containers.","Organic letters","2015","17","16","4038","4041","10.1021/acs.orglett.5b01948","","","0.71073","MoKα","","0.1194","0.0984","","","0.1979","0.2062","","","","","","1.272","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529389","11.4483","0.0007","43.06","0.002","24.522","0.0014","90","","90","","90","","12088.5","1.2","143","1","143","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C68 H60 Ce Li4 N12 -","- C68 H60 Ce Li4 N12 -","- C544 H480 Ce8 Li32 N96 -","8","0.25","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.03","0.0248","","","0.061","0.0639","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529390","13.9504","0.0007","16.2467","0.0009","19.0053","0.0011","83.136","0.003","83.696","0.003","84.993","0.003","4238.8","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H80 Ce N16 Na4 -","- C88 H80 Ce N16 Na4 -","- C176 H160 Ce2 N32 Na8 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0649","0.0487","","","0.1125","0.1184","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529391","15.2003","0.0012","15.4668","0.0012","18.0353","0.0015","93.849","0.005","101.333","0.005","107.292","0.005","3933.7","0.6","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H75 Ce K5 N15 -","- C83 H75 Ce K5 N15 -","- C166 H150 Ce2 K10 N30 -","2","1","","Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Control of cerium oxidation state through metal complex secondary structures","Chem. Sci.","2015","6","12","6925","","10.1039/C5SC02607E","","","0.71073","MoKα","","0.0879","0.0556","","","0.138","0.157","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529392","30.3531","0.001","5.0918","0.0002","16.0639","0.0005","90","","90","","90","","2482.71","0.15","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","LadderA","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Takagi, K.; Kato, R.; Yamamoto, S.; Masu, H.","Amide-bridged ladder poly(p-phenylene): synthesis by direct arylation and π-stacked assembly","Polym. Chem.","2015","6","38","6792","","10.1039/C5PY01154J","","","1.54178","CuKα","","0.0862","0.0706","","","0.1849","0.1994","","","","","","1.054","","","","has coordinates","162238","2020-10-21","18:00:00",""
"1529393","6.9051","0.0007","18.0332","0.0019","18.2794","0.0019","90","","90","","90","","2276.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 -","- C25 H24 Cl N O5 -","- C100 H96 Cl4 N4 O20 -","4","1","","Liu, Qiong-Jie; Yan, Wen-Guang; Wang, Lijia; Zhang, X. Peter; Tang, Yong","One-Pot Catalytic Asymmetric Synthesis of Tetrahydrocarbazoles.","Organic letters","2015","17","16","4014","4017","10.1021/acs.orglett.5b01909","","","0.71073","MoKα","","0.0504","0.0376","","","0.0909","0.0989","","","","","","1.019","","","","has coordinates","154777","2020-10-21","18:00:00",""
"1529394","10.7741","0.0003","13.3826","0.0004","16.275","0.0005","82.3193","0.0016","83.5313","0.0013","77.923","0.0013","2265.39","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H130 N4 O6 Si4 Y2 -","- C96 H130 N4 O6 Si4 Y2 -","- C96 H130 N4 O6 Si4 Y2 -","1","0.5","","Altenbuchner, P. T.; Adams, F.; Kronast, A.; Herdtweck, E.; Pöthig, A.; Rieger, B.","Stereospecific catalytic precision polymerization of 2-vinylpyridine via rare earth metal-mediated group transfer polymerization with 2-methoxyethylamino-bis(phenolate)-yttrium complexes","Polym. Chem.","2015","6","38","6796","","10.1039/C5PY01146A","","x-ray","0.71073","MoKα","","0.0479","0.0402","","","0.1091","0.1137","","","","","","1.064","","","","has coordinates","162233","2020-10-21","18:00:00",""
"1529395","17.7416","0.0004","5.1188","0.0001","12.1148","0.0003","90","","92.9213","0.0013","90","","1098.78","0.04","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C9 H13 I O4 -","- C9 H13 I O4 -","- C36 H52 I4 O16 -","4","1","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","0.71073","MoKα","","0.0259","0.0237","","0.0578","0.0566","0.0578","","","","","","0.9985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529396","21.6418","0.0013","6.1229","0.0002","21.6668","0.0012","90","","116.016","0.007","90","","2580.2","0.3","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O11 -","- C26 H18 N2 O11 -","- C104 H72 N8 O44 -","4","2","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","1.54184","CuKα","","0.0981","0.0924","","0.2447","0.2405","0.2447","","","","","","1.0402","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529397","5.5023","0.0001","8.005","0.0002","31.0282","0.0008","90","","90","","90","","1366.67","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl I O4 -","- C11 H14 Cl I O4 -","- C44 H56 Cl4 I4 O16 -","4","1","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","0.71073","MoKα","","0.0736","0.0495","","0.06","0.0521","0.06","","","","","","1.1092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529398","31.5153","0.0016","8.7548","0.0005","18.0436","0.001","90","","123.435","0.001","90","","4154.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N O6 -","- C25 H23 N O6 -","- C200 H184 N8 O48 -","8","1","","Huang, Jing-Kai; Yang Lauderdale, Tsai-Ling; Shia, Kak-Shan","Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues.","Organic letters","2015","17","17","4248","4251","10.1021/acs.orglett.5b02039","","","0.71073","MoKα","","0.0737","0.0434","","","0.0996","0.112","","","","","","1.012","","","","has coordinates","154790","2020-10-21","18:00:00",""
"1529399","16.4511","0.0005","17.491","0.0005","13.5624","0.0004","90","","98.856","0.0013","90","","3856","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H35 B F2 N2 -","- C55 H35 B F2 N2 -","- C220 H140 B4 F8 N8 -","4","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","1.54178","CuKα","","0.0682","0.0506","","","0.1206","0.1292","","","","","","1.064","","","","has coordinates","154792","2020-10-21","18:00:00",""
"1529400","13.1321","0.0003","10.7218","0.0003","30.2961","0.0008","90","","96.85","0.001","90","","4235.23","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H36 B F7 N2 -","- C55 H36 B F7 N2 -","- C220 H144 B4 F28 N8 -","4","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","1.54178","CuKα","","0.0584","0.0475","","","0.1353","0.1618","","","","","","1.097","","","","has coordinates","154792","2020-10-21","18:00:00",""
"1529401","21.491","0.0004","13.7296","0.0003","29.3488","0.0006","90","","106.144","0.002","90","","8318.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 B F2 N2 -","- C55 H40.52 B F2 N2 -","- C440 H324.16 B8 F16 N16 -","8","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","0.71073","MoKα","","0.0626","0.0604","","","0.1551","0.1582","","","","","","1.082","","","","has coordinates,has disorder","154792","2020-10-21","18:00:00",""
"1529402","5.225","0.0004","13.44","0.0011","11.8487","0.001","90","","90.133","0.002","90","","832.06","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","wd154","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C38 H40 Br2 N2 O2 -","2","1","","Dziechciejewski, Wojciech J.; Weber, Regina; Sowada, Oliver; Boysen, Mike M. K.","Cycloalkene Carbonitriles in Rhodium-Catalyzed 1,4-Addition and Formal Synthesis of Vabicaserin.","Organic letters","2015","17","17","4132","4135","10.1021/acs.orglett.5b01849","","","0.71073","MoKα","","0.0485","0.0464","","","0.1197","0.1215","","","","","","1.087","","","","has coordinates","154795","2020-10-21","18:00:00",""
"1529403","38.86","0.002","15.6626","0.0009","22.7308","0.0017","90","","125.774","0.003","90","","11224.8","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 Br2 N4 Si2 -","- C57 H79 Br2 N4 Si2 -","- C456 H632 Br16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0867","0.0429","","","0.0811","0.095","","","","","","1.006","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529404","38.872","0.002","15.6801","0.0009","22.7851","0.0013","90","","125.507","0.002","90","","11305.4","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H79 I2 N4 Si2 -","- C57 H79 I2 N4 Si2 -","- C456 H632 I16 N32 Si16 -","8","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.042","0.0281","","","0.0644","0.0709","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529405","19.9019","0.0015","20.2022","0.0015","20.2072","0.0015","90","","99.189","0.004","90","","8020.3","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 B F21 I N4 Si2 -","- C84 H77 B F21 I N4 Si2 -","- C336 H308 B4 F84 I4 N16 Si8 -","4","1","","Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C.","Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+","Chem. Sci.","2015","6","11","6515","","10.1039/C5SC02681D","","","0.71073","MoKα","","0.0652","0.0371","","","0.0933","0.104","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529406","22.8075","0.0016","7.3222","0.0006","14.4685","0.0007","90","","94.765","0.006","90","","2407.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cetyl-N,N-di(2-hydroxyethyl)methylammonium bromide","","- C21 H46 Br N O2 -","- C21 H46 Br N O2 -","- C84 H184 Br4 N4 O8 -","4","1","","Dai, Caili; Wu, Xuepeng; Li, Weitao; You, Qin; Zhao, Mingwei; Du, Mingyong; Liu, Yifei; Li, Yuyang","The role of hydroxyethyl groups in the construction of wormlike micelles in the system of quaternary ammonium surfactant and sodium salicylate.","Soft matter","2015","11","39","7817","7826","10.1039/c5sm01698c","","","1.54184","CuKα","","0.1114","0.0621","","","0.1738","0.2553","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529407","15.3682","0.0007","15.9908","0.0007","17.5923","0.001","72.813","0.003","69.832","0.004","68.859","0.003","3712.1","0.3","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","- C166 H146 B4 Cr2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1064","0.0822","","","0.2053","0.2222","","","","","","0.944","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529408","15.0589","0.0005","15.8311","0.0005","18.4096","0.0006","75.382","0.002","67.031","0.002","68.819","0.002","3736","0.2","100.02","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","- C134 H90 B2 F48 Mn2 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0699","0.0599","","","0.1728","0.1831","","","","","","1.08","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529409","15.1719","0.001","15.9218","0.001","18.3985","0.0012","75.334","0.002","66.781","0.002","68.243","0.002","3763.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(TPyA)2 Fe2 (NMePh)L(2-)] 2BArF 2THF","","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","- C140 H102 B2 F48 Fe2 N12 O1.5 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0675","0.0631","","","0.1802","0.1864","","","","","","1.074","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529410","14.8476","0.0004","15.9017","0.0004","18.21","0.0005","75.56","0.002","67.648","0.002","68.82","0.002","3676.39","0.18","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","[(TPyA)2 Co2 (NMePh)L2-] 2BArF","","- C134 H76 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","- C134 H90 B2 Co2 F48 N12 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.0934","0.0668","","","0.1773","0.1936","","","","","","1.066","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529411","15.17","0.0006","15.9112","0.0006","30.3415","0.0011","90.924","0.002","97.35","0.002","115.288","0.002","6546.9","0.4","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","[(TPyA)2 Cr2 (NMePh)L(3-)] 3(BPh4) 2(CH3CN)","","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","- C292 H264 B6 Cr4 N28 -","1","0.5","","DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David","A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling","Chem. Sci.","2015","6","11","6639","","10.1039/C5SC02725J","","","1.54178","CuKα","","0.1117","0.0812","","","0.2147","0.2395","","","","","","1.008","","","","has coordinates,has disorder","170990","2020-10-21","18:00:00",""
"1529415","9.0302","0.0011","10.7298","0.0011","13.2534","0.0013","93.47","0.008","92.319","0.009","93.973","0.009","1277.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl O3 S -","- C31 H23 Cl O3 S -","- C62 H46 Cl2 O6 S2 -","2","1","","Chen, Zhen-Zhen; Liu, Shuai; Hao, Wen-Juan; Xu, Ge; Wu, Shuo; Miao, Jiao-Na; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Catalytic arylsulfonyl radical-triggered 1,5-enyne-bicyclizations and hydrosulfonylation of α,β-conjugates.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","11","6654","6658","10.1039/c5sc02343b","","","0.71073","MoKα","","0.1365","0.0644","","","0.111","0.1542","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529420","13.1195","0.0009","25.1207","0.0017","6.0786","0.0004","90","","103.299","0.007","90","","1949.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H23 Cl F2 N2 O -","- C21 H23 Cl F2 N2 O -","- C84 H92 Cl4 F8 N8 O4 -","4","1","","Chen, Qiao; Zhou, Jiawei; Wang, Yanan; Wang, Chao; Liu, Xihong; Xu, Zhaoqing; Lin, Li; Wang, Rui","Transition-Metal-Free Dehydrosilylative Difluoroamidation of Tetrahydroisoquinolines under Mild Conditions.","Organic letters","2015","17","17","4212","4215","10.1021/acs.orglett.5b01997","","x-ray","0.71073","MoKα","","0.0519","0.0412","","","0.0815","0.0889","","","","","","1.044","","","","has coordinates","154789","2020-10-21","18:00:00",""
"1529421","5.917","0.0015","7.864","0.002","13.651","0.003","90","","101.24","0.003","90","","623","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Rybak, Taras; Hall, Dennis G.","Stereoselective and Regiodivergent Allylic Suzuki-Miyaura Cross-Coupling of 2-Ethoxydihydropyranyl Boronates: Synthesis and Confirmation of Absolute Stereochemistry of Diospongin B.","Organic letters","2015","17","17","4156","4159","10.1021/acs.orglett.5b01906","","","0.71073","MoKα","","0.0521","0.0407","","","0.0949","0.0997","","","","","","1.035","","","","has coordinates","154793","2020-10-21","18:00:00",""
"1529422","9.7101","0.0004","10.6909","0.0005","23.0359","0.001","90","","92.6548","0.0019","90","","2388.78","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","ethyl 2,3-dideoxy-3-phenylpentopyranoside","","- C13 H18 O3 -","- C13 H18 O3 -","- C104 H144 O24 -","8","2","","Rybak, Taras; Hall, Dennis G.","Stereoselective and Regiodivergent Allylic Suzuki-Miyaura Cross-Coupling of 2-Ethoxydihydropyranyl Boronates: Synthesis and Confirmation of Absolute Stereochemistry of Diospongin B.","Organic letters","2015","17","17","4156","4159","10.1021/acs.orglett.5b01906","","","1.54178","CuKα","","0.0369","0.0358","","","0.0962","0.0971","","","","","","1.036","","","","has coordinates","154793","2020-10-21","18:00:00",""
"1529423","18.021","0.004","10.891","0.002","18.559","0.004","90","","103.69","0.03","90","","3539","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl2 Ir N2 O5 -","- C42 H33 Cl2 Ir N2 O5 -","- C168 H132 Cl8 Ir4 N8 O20 -","4","1","","Zhou, Tao; Li, Liubo; Li, Bin; Song, Haibin; Wang, Baiquan","Ir(III)-Catalyzed Oxidative Coupling of NH Isoquinolones with Benzoquinone.","Organic letters","2015","17","17","4204","4207","10.1021/acs.orglett.5b01974","","","0.71073","MoKα","","0.0409","0.0344","","","0.0922","0.0964","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529424","10.069","0.002","10.87","0.002","12.021","0.002","71.67","0.03","82.11","0.03","82.87","0.03","1232.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl2 N2 O5 -","- C28 H18 Cl2 N2 O5 -","- C56 H36 Cl4 N4 O10 -","2","1","","Zhou, Tao; Li, Liubo; Li, Bin; Song, Haibin; Wang, Baiquan","Ir(III)-Catalyzed Oxidative Coupling of NH Isoquinolones with Benzoquinone.","Organic letters","2015","17","17","4204","4207","10.1021/acs.orglett.5b01974","","","0.71073","MoKα","","0.1183","0.0617","","","0.1778","0.2113","","","","","","1.06","","","","has coordinates","154794","2020-10-21","18:00:00",""
"1529425","23.8013","0.0006","23.8013","0.0006","13.6022","0.0005","90","","90","","120","","6673.3","0.3","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene hydrate octakis-dimethylacetamide solvate","","- C131 H158 N8 O15 P6 Pt3 -","- C123 H141 N6 O13 P6 Pt3 -","- C246 H282 N12 O26 P12 Pt6 -","2","0.166667","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0828","0.0803","","","0.1886","0.1897","","","","","","1.203","","","","has coordinates,has disorder","170970","2020-10-21","18:00:00",""
"1529426","14.86","0.003","23.898","0.005","15.103","0.003","90","","98.87","0.03","90","","5299.3","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tris[(1,2-bis{diphenylphosphinoethane}platinum(II)]cyclotricatechylene dihydrate dimethylacetamide (2/1.3) methanol (1/0.5) solvate","","- C104.7 H101.78 N1.3 O9.84 P6 Pt3 -","- C104.7 H97.7 N1.3 O9.84 P6 Pt3 -","- C209.4 H195.4 N2.6 O19.68 P12 Pt6 -","2","1","","Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A.","Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene","Chem. Sci.","2015","6","12","6935","","10.1039/C5SC02776D","","","0.6998","synchrotron","","0.0625","0.0474","","","0.1255","0.1373","","","","","","1.041","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529427","23.5964","0.0004","37.347","0.0006","40.0789","0.0006","90","","90","","90","","35319.7","1","110","0.1","110","0.1","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5-[4-[(2-methoxy-4-nitro-phenylcarbonyl)-amino]phenyl]-10,15,20-triphenyl porphyrin","","- C52.59 H37.19 Cl1.19 N6 O4 -","- C52.595 H37.18 Cl1.19 N6 O4 -","- C1683.04 H1189.76 Cl38.08 N192 O128 -","32","","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.7107","MoKα","","0.0712","0.0578","","","0.1587","0.1693","","","","","","1.035","","","","has coordinates","170979","2020-10-21","18:00:00",""
"1529428","12.9474","0.0005","15.8804","0.0005","17.3277","0.0006","98.752","0.003","92.264","0.003","106.821","0.003","3357.4","0.2","110","0.1","110","0.1","","","","","","","","9","P -1","-P 1","2","","5-{4-[Rhenium(I)tricarbonyl(3-picoline)-4-methyl-2,2?-bipyridine- 4?-carboxyamidyl]phenyl}-10,15,20-triphenylporphyrinatozinc(II) hexafluorophosphate","","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C67.5 H49 Cl5 F6 N8 O4 P Re Zn -","- C135 H98 Cl10 F12 N16 O8 P2 Re2 Zn2 -","2","1","","Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.","Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy","Chem. Sci.","2015","6","12","6847","","10.1039/C5SC02099A","","","0.71073","MoKα","","0.0809","0.0659","","","0.1868","0.1986","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529429","8.511","0.004","11.945","0.006","14.173","0.007","90","","90","","90","","1440.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F3 O3 -","- C15 H17 F3 O3 -","- C60 H68 F12 O12 -","4","1","","Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue","Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues.","Journal of medicinal chemistry","2015","58","17","7007","7020","10.1021/acs.jmedchem.5b00915","","","1.54187","CuKα","","0.0268","0.0254","","","0.0657","0.0667","","","","","","1.04","","","","has coordinates","160541","2020-10-21","18:00:00",""
"1529442","45.0711","0.0003","45.0711","0.0003","45.0711","0.0003","90","","90","","90","","91557.6","1.1","298","","298","","","","","","","","","6","I m -3 m","-I 4 2 3","229","as_made_ZSM-25","","","- C305 Al334 N38 Na296 O3692 Si1106 -","- C305.427 Al333.936 N38.1776 Na296.421 O3692.12 Si1106.06 -","- C305.427 Al333.936 N38.1776 Na296.421 O3692.12 Si1106.06 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.63248","synchrotron","","","","","","","","0.02492","","2.875","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1529443","44.9242","0.0016","44.9242","0.0016","44.9242","0.0016","90","","90","","90","","90665","6","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","calcinedhy_drated_ZSM-25","","","- Al325 Na285 O3726 Si1115 -","- Al325.008 Na284.592 O3726.36 Si1114.99 -","- Al325.008 Na284.592 O3726.36 Si1114.99 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","1.5418","CuKα","","0.0109","","","","","","0.00532","","3.869","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529444","55.0437","0.0016","55.0437","0.0016","55.0437","0.0016","90","","90","","90","","166772","8","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","as made PST-20","","","- C448 Al638 N56 Na162 O5843 Si2002 Sr210 -","- C448.006 Al638.088 N56 Na162 O5843.2 Si2001.91 Sr210.029 -","- C448.006 Al638.088 N56 Na162 O5843.2 Si2001.91 Sr210.029 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.40091","synchrotron","","0.031","","","","","","0.0485","","4.6","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1529445","55.0664","0.0007","55.0664","0.0007","55.0664","0.0007","90","","90","","90","","166978","4","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","Na_exchanged_PST_20","","","- C448 Al638 N56 Na560 O5866 Si2002 Sr11 -","- C448.006 Al638.088 N56 Na559.452 O5866 Si2001.91 Sr10.4472 -","- C448.006 Al638.088 N56 Na559.452 O5866 Si2001.91 Sr10.4472 -","1","0.0104167","","Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong","A zeolite family with expanding structural complexity and embedded isoreticular structures","Nature","2015","524","7563","74","78","10.1038/nature14575","powder diffraction","x-ray","0.40091","synchrotron","","","","","","","","0.05625","","3.589","","","","","","","has coordinates","153623","2020-10-21","18:00:00",""
"1529446","7.04536","0.00005","13.74167","0.00011","11.14078","0.0001","90","","93.7268","0.0007","90","","1076.31","0.015","160","4","160","4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C48 H64 O8 -","2","1","","Wu, Ping; Yao, Lei; Xu, Liangxiong; Xue, Jinghua; Wei, Xiaoyi","Bisacremines A-D, Dimeric Acremines Produced by a Soil-Derived Acremonium persicinum Strain.","Journal of natural products","2015","78","9","2161","2166","10.1021/np501037x","","","1.5418","CuKα","","0.0418","0.0408","","","0.1111","0.1124","","","","","","1.068","","","","has coordinates","160544","2020-10-21","18:00:00",""
"1529447","9.1983","0.0002","18.6272","0.0004","18.7098","0.0004","90","","90","","90","","3205.71","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 O9 -","- C35 H40 O9 -","- C140 H160 O36 -","4","1","","Ning, Ruonan; Lei, Yun; Liu, Shuangzhu; Wang, Huan; Zhang, Rujun; Wang, Wei; Zhu, Yingdong; Zhang, Haiyan; Zhao, Weimin","Natural β-Dihydroagarofuran-Type Sesquiterpenoids as Cognition-Enhancing and Neuroprotective Agents from Medicinal Plants of the Genus Celastrus.","Journal of natural products","2015","78","9","2175","2186","10.1021/acs.jnatprod.5b00234","","","1.54178","CuKα","","0.0453","0.0354","","","0.0819","0.0865","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529448","11.1941","0.0017","11.9877","0.0018","12.3151","0.0019","117.921","0.002","101.02","0.002","90.422","0.002","1424.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Organics","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Deng, Yongming; Jing, Changcheng; Zavalij, Peter Y.; Doyle, Michael P.","Hg(OTf)2 Catalyzed Intramolecular 1,4-Addition of Donor-Acceptor Cyclopropenes to Arenes.","Organic letters","2015","17","17","4312","4315","10.1021/acs.orglett.5b02129","","","0.71073","MoKα","","0.0641","0.0467","","","0.0928","0.1019","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529449","9.7442","0.0007","13.1654","0.0012","17.8252","0.0017","90","","93.934","0.004","90","","2281.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br N -","- C14 H10 Br N -","- C112 H80 Br8 N8 -","8","2","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.1171","0.0822","","","0.2092","0.2264","","","","","","1.102","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529450","7.08","0.0003","20.666","0.001","8.2442","0.0005","90","","100.632","0.002","90","","1185.54","0.11","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0238","0.0233","","","0.0563","0.0566","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529451","9.9461","0.0004","6.9825","0.0003","15.2049","0.0008","90","","92.314","0.002","90","","1055.1","0.08","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 I N O -","- C11 H10 I N O -","- C44 H40 I4 N4 O4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0292","0.0253","","","0.0548","0.0567","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529452","10.0665","0.0005","5.9895","0.0004","17.5155","0.001","90","","103.942","0.003","90","","1024.96","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C40 H28 Br4 I4 N4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.041","0.032","","","0.0789","0.0828","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529453","11.4222","0.0006","5.4888","0.0003","19.7338","0.0012","90","","100.562","0.002","90","","1216.23","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0505","0.0404","","","0.101","0.1081","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1529455","11.4763","0.0011","11.9281","0.0012","15.1054","0.0015","87.156","0.005","78.155","0.005","64.918","0.004","1831.3","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","NZ-105","efonidipine hydrochloride ethanolate","","- C36 H45 Cl N3 O8 P -","- C36 H44 Cl N3 O8 P -","- C72 H88 Cl2 N6 O16 P2 -","2","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0477","0.0433","","","0.1418","0.1533","","","","","","1.086","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529457","11.4215","0.0003","32.7681","0.0009","11.5118","0.0003","90","","116.753","0.001","90","","3847.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C176 H208 O48 -","8","4","","Lu, Yuanyuan; Xue, Yongbo; Liu, Junjun; Yao, Guangmin; Li, Dongyan; Sun, Bin; Zhang, Jinwen; Liu, Yanfei; Qi, Changxing; Xiang, Ming; Luo, Zengwei; Du, Guang; Zhang, Yonghui","(±)-Acortatarinowins A-F, Norlignan, Neolignan, and Lignan Enantiomers from Acorus tatarinowii.","Journal of natural products","2015","78","9","2205","2214","10.1021/acs.jnatprod.5b00328","","","1.54178","CuKα","","0.0553","0.0552","","","0.137","0.1377","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529458","24.274","0.002","16.262","0.001","12.626","0.002","90","","90","","90","","4984","0.9","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O5 -","- C29 H32 O5 -","- C232 H256 O40 -","8","1","","Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal","Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells.","Journal of natural products","2015","78","9","2187","2197","10.1021/acs.jnatprod.5b00222","","x-ray","0.71073","MoKα","","0.1791","0.0598","","","0.1082","0.1426","","","","","","1.023","","","","has coordinates","160546","2020-10-21","18:00:00",""
"1529460","5.6019","0.00032","5.6019","0.00032","20.9878","0.0012","90","","90","","120","","570.39","0.06","300","","300","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 O8 P2 -","- Ba3 O8 P2 -","- Ba9 O24 P6 -","3","0.0833333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.32","2.181","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529461","5.54011","0.00024","5.54011","0.00024","20.6573","0.0011","90","","90","","120","","549.09","0.04","300","","300","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba0.81 O4 P Sr0.69 -","- Ba0.8125 O4 P Sr0.6875 -","- Ba4.875 O24 P6 Sr4.125 -","6","0.166667","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.77","2.863","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529462","5.46471","0.00011","5.46471","0.00011","20.22347","0.00044","90","","90","","120","","523.023","0.019","300","","300","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba1.16 O12 P3 Sr3.34 -","- Ba1.164 O12 P3 Sr3.336 -","- Ba2.328 O24 P6 Sr6.672 -","2","0.0555556","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.38","2.341","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529463","5.387993","0.000028","5.387993","0.000028","19.78604","0.00011","90","","90","","120","","497.443","0.005","300","","300","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- O8 P2 Sr3 -","- O8 P2 Sr3 -","- O24 P6 Sr9 -","3","0.0833333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.99","1.041","","","","","","","has coordinates,has Fobs","215051","2020-10-21","18:00:00",""
"1529464","10.66855","0.0002","10.66855","0.0002","38.9832","0.00084","90","","90","","120","","3842.54","0.13","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca0.5 O4 P Sr1.05 -","- Ca0.500143 O4 P Sr1.05343 -","- Ca21.006 O168 P42 Sr44.244 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.07","2.145","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529465","10.56198","0.00031","10.56198","0.00031","38.0712","0.0013","90","","90","","120","","3678.1","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca O4 P Sr0.43 -","- Ca1.00029 O4 P Sr0.426 -","- Ca42.012 O168 P42 Sr17.892 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.45","1.665","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529466","10.4414","0.0002","10.4414","0.0002","37.4208","0.00083","90","","90","","120","","3533.14","0.12","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ca11 O28 P7 -","- Ca11 O28 P7 -","- Ca66 O168 P42 -","6","0.333333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.4","1.408","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529467","15.885","0.004","7.4464","0.0016","25.627","0.006","90","","104.762","0.004","90","","2931.3","1.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C144 H120 N24 -","8","2","","Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli","Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.","Journal of medicinal chemistry","2015","58","17","6972","6983","10.1021/acs.jmedchem.5b00861","","","0.71073","MoKα","","0.0948","0.0563","","","0.1252","0.1386","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1529468","17.171","0.005","7.611","0.002","25.394","0.008","90","","95.737","0.004","90","","3302.1","1.7","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C160 H136 N24 -","8","2","","Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli","Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.","Journal of medicinal chemistry","2015","58","17","6972","6983","10.1021/acs.jmedchem.5b00861","","","0.71073","MoKα","","0.116","0.0789","","","0.1788","0.2019","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529469","6.212","0.002","12.231","0.003","28.133","0.007","90","","90","","90","","2137.5","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54187","CuKα","","0.0404","0.0391","","","0.1037","0.1049","","","","","","1.044","","","","has coordinates","154787","2020-10-21","18:00:00",""
"1529470","12.515","0.003","14.907","0.002","45.898","0.006","90","","90","","90","","8563","3","293","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3.5 -","- C22 H33 N O3.5 -","- C352 H528 N16 O56 -","16","4","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54178","CuKα","","0.0719","0.06","","","0.1566","0.1713","","","","","","1.083","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529471","11.7916","0.0018","13.46","0.002","18.239","0.003","86.434","0.003","88.133","0.003","69.802","0.002","2711.3","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H50 B2 F15 Mg N3 O3 -","- C53 H46 B2 F15 Mg N3 O3 -","- C106 H92 B4 F30 Mg2 N6 O6 -","2","1","","Lampland, Nicole L.; Pindwal, Aradhana; Neal, Steven R.; Schlauderaff, Shealyn; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydrosilylation of α,β-unsaturated esters","Chem. Sci.","2015","6","12","6901","","10.1039/C5SC02435H","","","0.71073","","","0.0777","0.0492","","","0.161","0.2004","","","","","","0.73","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529473","7.7823","0.0008","10.8987","0.0012","15.2414","0.0018","72.781","0.01","83.016","0.009","85.094","0.009","1224","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O4 -","- C28 H29 N5 O4 -","- C56 H58 N10 O8 -","2","1","","Samanta, Ritwik; Kumar, B. Sathish; Panda, Pradeepta K.","Calix[4]pyrroles with Shortest Possible Strap: Exclusively Selective toward Fluoride Ion.","Organic letters","2015","17","17","4140","4143","10.1021/acs.orglett.5b01866","","","0.71073","MoKα","","0.1535","0.0722","","","0.1383","0.1848","","","","","","1.039","","","","has coordinates","154791","2020-10-21","18:00:00",""
"1529474","22.448","0.006","6.0248","0.0016","11.443","0.003","90","","97.517","0.005","90","","1534.3","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(4-(tert-butyl)phenyl)-2-(iodomethyl)-3,3-dimethyloxirane","","- C15 H21 I O -","- C15 H21 I O -","- C60 H84 I4 O4 -","4","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0363","0.034","","","0.0876","0.0898","","","","","","1.063","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529475","10.31","0.01","7.955","0.008","11.875","0.012","90","","90.15","0.02","90","","973.9","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-1-(2,4-dinitrophenyl)-2-(2-(iodomethyl)-2-phenylcyclohexylidene)hydrazine","","- C19 H19 I N4 O4 -","- C19 H19 I N4 O4 -","- C38 H38 I2 N8 O8 -","2","1","","Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing","Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols","Chem. Sci.","2015","6","12","6986","","10.1039/C5SC02485D","","","0.71073","MoKα","","0.0414","0.0375","","","0.1044","0.1078","","","","","","1.043","","","","has coordinates","170962","2020-10-21","18:00:00",""
"1529476","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","4","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C396 H324 Br36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1237","0.1187","","0.2646","0.2614","0.264","","","","","","0.9439","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529477","40.346","0.014","40.346","0.014","17.984","0.006","90","","90","","120","","25352","15","90","","90","","","","","","","","synthesized","5","P 3 c 1","P 3 -2""c","158","","[1.(TBA.Br)2]n","","- C54 H90 Br2 N2 O4 -","- C54 H90 Br2 N2 O4 -","- C972 H1620 Br36 N36 O72 -","18","3","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.1872","0.1799","","0.3454","0.3418","0.3446","","","","","","0.9874","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1529478","39.973","0.004","39.973","0.004","18.0631","0.0018","90","","90","","120","","24995","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0559","0.0506","","0.1033","0.1","0.103","","","","","","0.9136","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529479","39.896","0.004","39.896","0.004","18.0796","0.0017","90","","90","","120","","24922","4","90","","90","","","","","","","","synthesized","5","R 3 c :H","R 3 -2""c","161","","[3.(TBA.Br)2]n","","- C54 H88 Br2 N2 O6 -","- C54 H88 Br2 N2 O6 -","- C972 H1584 Br36 N36 O108 -","18","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion-templated hexagonal nanotubes","Chem. Sci.","2015","6","11","6245","","10.1039/C5SC02577J","","","0.71073","MoKα","","0.0755","0.0573","","0.1415","0.1264","0.1415","","","","","","0.9515","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529480","12.25619","0.0001","12.25619","0.0001","12.25619","0.0001","90","","90","","90","","1841.05","0.03","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Ca12 Ga8 Ge12 O48 -","- Ca12 Ga8 Ge12 O48 -","- Ca24 Ga16 Ge24 O96 -","2","0.0208333","","Chengyin Liu; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu","Synthesis, Crystal Structure, and Enhanced Luminescence of Garnet-Type Ca3Ga2Ge3O12:Cr3+ by Codoping Bi3+","Journal of the American Ceramic Society","2015","98","6","1870","1876","10.1111/jace.13553","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.4","3.783","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529481","7.65407","0.00021","11.41403","0.00028","11.39088","0.00033","90","","109.744","0.0019","90","","936.65","0.05","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","- Er0.24 Gd6.96 O48 W12 Yb0.8 -","1","0.125","","Mengyan Yin; Yangai Liu; Lefu Mei; Maxim S. Molokeev; Zhaohui Huang; Minghao Fang","Preparation, crystal structure and up-conversion luminescence of Er3+, Yb3+ co-doped Gd2(WO4)3","RSC Advances","2015","5","0","73077","73082","10.1039/C5RA12959A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.35","2.622","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529487","10.652543","0.00008","10.652543","0.00008","40.96937","0.00036","90","","90","","120","","4026.21","0.06","300","","300","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- Bi2 Cs4 Mo6 Na2 O24 -","- Bi2 Cs4 Mo6 Na2 O24 -","- Bi12 Cs24 Mo36 Na12 O144 -","6","0.333333","","A.A. Savina; V.V. Atuchin; S.F. Solodovnikov; Z.A. Solodovnikova; A.S. Krylov; E.A. Maximovskiy; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; E.G. Khaikina","Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3","Journal of Solid State Chemistry","2015","225","0","53","58","10.1016/j.jssc.2014.11.023","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.95","1.216","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529489","9.55299","0.00024","9.55299","0.00024","7.21426","0.00023","90","","90","","120","","570.17","0.03","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- B La5 O13 Si2 -","- B La5 O13 Si2 -","- B2 La10 O26 Si4 -","2","0.166667","","Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","9495","10.1021/acs.jpcc.5b01211","powder diffraction","","1.83515","neutron","","","","","","","","","1.98","2.31","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529490","9.71207","0.00023","9.71207","0.00023","7.18946","0.0002","90","","90","","120","","587.29","0.03","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La5 N O12 Si3 -","- La5 N1.0002 O11.9998 Si3 -","- La10 N2.0004 O23.9996 Si6 -","2","0.166667","","Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","9495","10.1021/acs.jpcc.5b01211","powder diffraction","neutron","1.83515","neutron","","","","","","","","","3.45","3.483","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529491","9.85486","0.00031","9.85486","0.00031","7.30224","0.00025","90","","90","","120","","614.17","0.03","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F2 La7.22 O24 Si6 Sr2.78 -","- F2 La7.218 O24 Si6 Sr2.782 -","- F2 La7.218 O24 Si6 Sr2.782 -","1","0.0833333","","Qingfeng Guo; Libing Liao; Maxim S. Molokeev; Lefu Mei; Haikun Liu","Color Tunable Emission and Energy Transfer of Ce3+ and Tb3+ co-doped Novel La6Sr4(SiO4)6F2 Phosphors with apatite structure","Materials Research Bulletin","2015","72","0","245","251","10.1016/j.materresbull.2015.07.029","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.77","1.512","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529492","9.78698","0.00045","9.78698","0.00045","9.33739","0.00048","90","","90","","120","","774.56","0.06","300","","300","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al8 Mg4 O36 Si10 -","2","0.0833333","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.38","3.529","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529493","9.79306","0.00041","9.79306","0.00041","9.33885","0.00046","90","","90","","120","","775.64","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.33 K0.34 Mg4 O36 Si9.67 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.63","2.651","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529494","9.79423","0.00048","9.79423","0.00048","9.34129","0.00051","90","","90","","120","","776.03","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 K0.52 Mg4 O36 Si9.49 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","2.676","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529495","9.79964","0.00049","9.79964","0.00049","9.36376","0.00055","90","","90","","120","","778.76","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.35","2.903","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529496","9.79552","0.00026","9.79552","0.00026","9.37418","0.00032","90","","90","","120","","778.97","0.04","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9.02 Mg4 O36 Rb0.99 Si8.98 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.854","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529497","9.79723","0.00044","9.79723","0.00044","9.34351","0.00054","90","","90","","120","","776.69","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 Mg4 O36 Rb0.52 Si9.49 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.78","2.395","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529498","9.79795","0.0004","9.79795","0.0004","9.3637","0.00051","90","","90","","120","","778.48","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.57","2.786","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529499","9.83173","0.00014","3.266226","0.000048","11.49502","0.00018","90","","90","","90","","369.136","0.01","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Er0.04 In7.96 O16 Sr4 -","- Er0.04 In7.96 O16 Sr4 -","- Er0.04 In7.96 O16 Sr4 -","1","0.125","","Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang","Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors","Journal of the American Ceramic Society","2015","98","4","1182","1187","10.1111/jace.13415","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.67","1.422","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529500","9.85272","0.00011","3.274175","0.000038","11.52212","0.00013","90","","90","","90","","371.698","0.007","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","- Er0.04 In7.56 O16 Sr4 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Lefu Mei; Maxim S. Molokeev; Jing Xie; Tao Yang; Xiaowen Wu; Saifang Huang; Zhaohui Huang","Preparation, Structure and Up-conversion Luminescence of Yb3+/Er3+ co-doped SrIn2O4 Phosphors","Journal of the American Ceramic Society","2015","98","4","1182","1187","10.1111/jace.13415","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.73","1.056","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529502","9.7454","0.0004","11.2225","0.0004","13.9171","0.0005","90","","90","","90","","1522.08","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro -4H-pyrano[2,3-d]pyrimidin-4-one","","","- C14 H22 N2 O3 S -","- C14 H22 N2 O3 S -","- C56 H88 N8 O12 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin","New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy.","Journal of Molecular Structure","2015","1102","0","101","107","10.1016/j.molstruc.2015.08.046","","","0.71073","MoKα","","0.0534","0.0417","","","0.0899","0.095","","","","","","1.034","","","","has coordinates,has Fobs","153900","2020-10-21","18:00:00",""
"1529503","8.374","0.003","10.228","0.004","16.064","0.007","99.954","0.007","98.372","0.007","101.416","0.007","1305.1","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Cl3 F3 N2 O2 S -","- C25 H22 Cl3 F3 N2 O2 S -","- C50 H44 Cl6 F6 N4 O4 S2 -","2","1","","Wei, Qiang; Chen, Jia-Rong; Hu, Xiao-Qiang; Yang, Xiao-Chen; Lu, Bin; Xiao, Wen-Jing","Photocatalytic Radical Trifluoromethylation/Cyclization Cascade: Synthesis of CF3-Containing Pyrazolines and Isoxazolines.","Organic letters","2015","17","18","4464","4467","10.1021/acs.orglett.5b02118","","","0.71073","MoKα","","0.0983","0.0618","","","0.1519","0.1806","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529504","8.2952","0.0004","20.7323","0.0009","22.0577","0.001","90","","100.587","0.002","90","","3728.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 Br2 N3 O2 S2 -","- C30 H21 Br2 N3 O2 S2 -","- C120 H84 Br8 N12 O8 S8 -","4","1","","Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei","Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor‒acceptor conjugated polymers for electrochromic applications","Polym. Chem.","2015","6","43","7570","","10.1039/C5PY01129A","","","1.54178","CuKα","","0.0891","0.0776","","","0.2322","0.2454","","","","","","1.091","","","","has coordinates,has disorder","171375","2020-10-21","18:00:00",""
"1529505","13.4552","0.0006","13.6974","0.0007","14.8065","0.0006","78.712","0.002","73.88","0.002","76.746","0.002","2526.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Br2 N3 O4 -","- C30 H21 Br2 N3 O4 -","- C120 H84 Br8 N12 O16 -","4","2","","Cho, Ching Mui; Ye, Qun; Neo, Wei Teng; Lin, Tingting; Lu, Xuehong; Xu, Jianwei","Ultrahigh electron-deficient pyrrolo-acenaphtho-pyridazine-dione based donor‒acceptor conjugated polymers for electrochromic applications","Polym. Chem.","2015","6","43","7570","","10.1039/C5PY01129A","","","0.71073","MoKα","","0.0842","0.0417","","","0.076","0.0876","","","","","","1.011","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529506","14.321","0.0008","8.9769","0.0005","11.71","0.0007","90","","91.66","0.002","90","","1504.78","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0232","0.0232","","","0.0611","0.0612","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529507","6.3155","0.0003","7.7433","0.0004","15.0935","0.0009","90","","100.579","0.003","90","","725.57","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0386","0.0382","","","0.0971","0.0976","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529508","14.3185","0.001","8.9738","0.0006","11.7148","0.0008","90","","91.675","0.003","90","","1504.61","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0233","0.0233","","","0.0593","0.0594","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529509","6.309","0.002","7.753","0.002","15.117","0.005","90","","100.736","0.014","90","","726.5","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd","Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes","Chem. Sci.","2015","6","12","7034","","10.1039/C5SC02342D","","","1.54178","CuKα","","0.0237","0.0234","","","0.0573","0.0576","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529510","13.287","0.003","14.229","0.003","18.87","0.004","70.476","0.002","72.879","0.002","85.688","0.002","3212.4","1.2","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35.33 H22.66 F34 N4 O2.33 -","- C35.3333 H22 F34 N4 O2.33333 -","- C106 H66 F102 N12 O7 -","3","1.5","","Kumari, Harshita; Armitage, Sarah E.; Kline, Steven R.; Damodaran, Krishna K.; Kennedy, Stuart R.; Atwood, Jerry L.; Steed, Jonathan W.","Fluorous 'ponytails' lead to strong gelators showing thermally induced structure evolution.","Soft matter","2015","11","43","8471","8478","10.1039/c5sm01865j","","","0.6889","synchrotron","","0.0692","0.0543","","","0.1567","0.1671","","","","","","1.089","","","","has coordinates","171376","2020-10-21","18:00:00",""
"1529712","7.8143","0.0004","7.9133","0.0003","18.3147","0.0009","90","","90","","90","","1132.52","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Liu, Yayue; Yang, Qin; Xia, Guoping; Huang, Hongbo; Li, Hanxiang; Ma, Lin; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang","Polyketides with α-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.","Journal of natural products","2015","78","8","1816","1822","10.1021/np500885f","","","1.54178","CuKα","","0.0474","0.0447","","","0.1167","0.1198","","","","","","1.016","","","","has coordinates","154293","2020-10-21","18:00:00",""
"1529713","16.679","0.006","11.552","0.004","19.833","0.007","90","","101.57","0.005","90","","3744","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 B2 F4 N5 -","- C45 H35 B2 F4 N5 -","- C180 H140 B8 F16 N20 -","4","1","","Kumar, Sunit; Gobeze, Habtom B.; Chatterjee, Tamal; D'Souza, Francis; Ravikanth, Mangalampalli","Directly Connected AzaBODIPY-BODIPY Dyad: Synthesis, Crystal Structure, and Ground- and Excited-State Interactions.","The journal of physical chemistry. A","2015","119","30","8338","8348","10.1021/acs.jpca.5b06328","","","0.7107","MoKα","","0.0802","0.0712","","","0.1437","0.1493","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529846","5.965","0.004","10.206","0.008","10.513","0.008","90","","90.678","0.009","90","","640","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 S3 -","- C4 H6 S3 -","- C16 H24 S12 -","4","1","","Luo, Ming; Zhang, Xing-Hong; Darensbourg, Donald J.","An Investigation of the Pathways for Oxygen/Sulfur Scramblings during the Copolymerization of Carbon Disulfide and Oxetane","Macromolecules","2015","48","16","5526","","10.1021/acs.macromol.5b01251","","","0.71073","MoKα","","0.0506","0.037","","","0.0772","0.082","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529847","9.702","0.003","7.4213","0.0019","12.862","0.004","90","","103.265","0.005","90","","901.4","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0396","","","","0.0959","","","","","","1.05","","","","has coordinates","154506","2020-10-21","18:00:00",""
"1529848","13.5566","0.0009","9.9192","0.0006","12.1878","0.0009","90","","114.983","0.001","90","","1485.55","0.17","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0654","0.0618","","","0.1477","0.1519","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529849","9.8958","0.0004","32.0974","0.0012","20.6189","0.0009","90","","92.873","0.002","90","","6540.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 O6 Si -","- C34 H47 O6 Si -","- C272 H376 O48 Si8 -","8","2","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0934","0.0642","","","0.1518","0.1698","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529850","15.027","0.003","8.8571","0.0017","11.123","0.003","90","","96.542","0.002","90","","1470.8","0.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F2 N3 -","- C16 H12 Br F2 N3 -","- C64 H48 Br4 F8 N12 -","4","1","","Okusu, Satoshi; Tokunaga, Etsuko; Shibata, Norio","Difluoromethylation of Terminal Alkynes by Fluoroform.","Organic letters","2015","17","15","3802","3805","10.1021/acs.orglett.5b01778","","","0.71075","MoKα","","","0.0732","","","","0.2197","","","","","","1.134","","","","has coordinates","154509","2020-10-21","18:00:00",""
"1529851","17.957","0.004","6.8848","0.0014","22.81","0.005","90","","99.781","0.003","90","","2779","1","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br F2 N O -","- C16 H10 Br F2 N O -","- C128 H80 Br8 F16 N8 O8 -","8","2","","Okusu, Satoshi; Tokunaga, Etsuko; Shibata, Norio","Difluoromethylation of Terminal Alkynes by Fluoroform.","Organic letters","2015","17","15","3802","3805","10.1021/acs.orglett.5b01778","","","0.71075","MoKα","","","0.0681","","","","0.2071","","","","","","1.105","","","","has coordinates","154510","2020-10-21","18:00:00",""
"1529852","19.3661","0.0007","14.8237","0.0006","28.5913","0.0013","90","","90","","90","","8207.9","0.6","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C344 H296 Br16 Cl8 Cu8 N24 O32 P16 -","8","2","","Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan","Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst.","Organic letters","2015","17","15","3814","3817","10.1021/acs.orglett.5b01776","","","0.7107","MoKα","","0.1201","0.0728","","","0.1676","0.1992","","","","","","1.021","","","","has coordinates","154511","2020-10-21","18:00:00",""
"1529853","5.7487","0.0005","9.5873","0.0008","13.7161","0.0011","85.932","0.007","86.522","0.007","90.042","0.007","752.65","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan","Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst.","Organic letters","2015","17","15","3814","3817","10.1021/acs.orglett.5b01776","","","0.71073","MoKα","","0.1299","0.0635","","","0.1427","0.178","","","","","","1.025","","","","has coordinates","154511","2020-10-21","18:00:00",""
"1529854","7.9153","0.0009","11.4655","0.0013","18.152","0.002","90","","90","","90","","1647.3","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 S -","- C18 H16 Br N O3 S -","- C72 H64 Br4 N4 O12 S4 -","4","1","","Xiao, Yonglong; Wang, Jinxin; Xia, Wenjing; Shu, Shuangjie; Jiao, Shenchao; Zhou, Yu; Liu, Hong","γ-Carbon Activation through N-Heterocyclic Carbene/Brønsted Acids Cooperative Catalysis: A Highly Enantioselective Route to δ-Lactams.","Organic letters","2015","17","15","3850","3853","10.1021/acs.orglett.5b01827","","","0.71073","MoKα","","0.0505","0.0354","","","0.0679","0.0718","","","","","","0.989","","","","has coordinates","154512","2020-10-21","18:00:00",""
"1529855","9.919","0.002","19.032","0.004","11.221","0.002","90","","102.942","0.005","90","","2064.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O S -","- C26 H18 N2 O S -","- C104 H72 N8 O4 S4 -","4","1","","Zhu, Yuelu; Li, Cheng; Zhang, Jidong; She, Mengyao; Sun, Wei; Wan, Kerou; Wang, Yaqi; Yin, Bin; Liu, Ping; Li, Jianli","A Facile FeCl3/I2-Catalyzed Aerobic Oxidative Coupling Reaction: Synthesis of Tetrasubstituted Imidazoles from Amidines and Chalcones.","Organic letters","2015","17","15","3872","3875","10.1021/acs.orglett.5b01854","","","0.71073","MoKα","","0.0993","0.051","","","0.089","0.1055","","","","","","1.008","","","","has coordinates,has disorder","154513","2020-10-21","18:00:00",""
"1529856","9.724","0.003","11.142","0.003","12.91","0.004","98.826","0.005","103.604","0.005","112.844","0.005","1205.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br N2 O -","- C29 H21 Br N2 O -","- C58 H42 Br2 N4 O2 -","2","1","","Zhu, Yuelu; Li, Cheng; Zhang, Jidong; She, Mengyao; Sun, Wei; Wan, Kerou; Wang, Yaqi; Yin, Bin; Liu, Ping; Li, Jianli","A Facile FeCl3/I2-Catalyzed Aerobic Oxidative Coupling Reaction: Synthesis of Tetrasubstituted Imidazoles from Amidines and Chalcones.","Organic letters","2015","17","15","3872","3875","10.1021/acs.orglett.5b01854","","","0.71073","MoKα","","0.1502","0.0613","","","0.1531","0.2146","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529857","6.8305","0.0002","13.7709","0.0006","21.5589","0.0008","90","","90","","90","","2027.88","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C80 H88 N8 O20 S4 -","4","1","","Rao, Wei-Hao; Yin, Xue-Song; Shi, Bing-Feng","Catalyst-Controlled Amino- versus Oxy-Acetoxylation of Urea-Tethered Alkenes: Efficient Synthesis of Cyclic Ureas and Isoureas.","Organic letters","2015","17","15","3758","3761","10.1021/acs.orglett.5b01741","","","0.71073","MoKα","","0.0532","0.0361","","","0.0772","0.0915","","","","","","1.005","","","","has coordinates","154515","2020-10-21","18:00:00",""
"1529858","5.9849","0.0003","8.35","0.0004","21.2894","0.001","90.789","0.002","92.849","0.002","107.436","0.006","1013.32","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C40 H44 N4 O10 S2 -","2","1","","Rao, Wei-Hao; Yin, Xue-Song; Shi, Bing-Feng","Catalyst-Controlled Amino- versus Oxy-Acetoxylation of Urea-Tethered Alkenes: Efficient Synthesis of Cyclic Ureas and Isoureas.","Organic letters","2015","17","15","3758","3761","10.1021/acs.orglett.5b01741","","","0.71073","MoKα","","0.0989","0.0519","","","0.1305","0.1808","","","","","","1.001","","","","has coordinates","154516","2020-10-21","18:00:00",""
"1529859","12.075","0.0014","12.075","0.0014","26.601","0.003","90","","90","","120","","3358.9","0.7","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H17 Br F3 N O4 -","- C24 H17 Br F3 N O4 -","- C144 H102 Br6 F18 N6 O24 -","6","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.098","0.0566","","","0.1192","0.1357","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529860","10.916","0.002","12.171","0.002","27.176","0.005","90","","90","","90","","3610.6","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl F3 N O4 -","- C18 H13 Cl F3 N O4 -","- C144 H104 Cl8 F24 N8 O32 -","8","2","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.088","0.0589","","","0.1249","0.1409","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529861","8.3159","0.0007","9.4678","0.0007","23.6499","0.0018","90","","90","","90","","1862","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C76 H60 Br4 F12 N4 O16 -","4","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.0373","0.0307","","","0.0764","0.0799","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529862","11.943","0.002","12.618","0.003","14.512","0.003","90","","90.2","0.03","90","","2186.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","1","","Miao, Jinmin; Yang, Ke; Kurek, Martin; Ge, Haibo","Palladium-Catalyzed Site-Selective Fluorination of Unactivated C(sp(3))-H Bonds.","Organic letters","2015","17","15","3738","3741","10.1021/acs.orglett.5b01710","","","0.71073","MoKα","","0.1521","0.0676","","","0.1345","0.1626","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529863","12.3364","0.0006","8.7782","0.0004","36.9717","0.0014","90","","90","","90","","4003.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C200 H208 O16 -","8","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.1412","0.0598","","","0.117","0.15","","","","","","0.999","","","","has coordinates","154521","2020-10-21","18:00:00",""
"1529864","7.0588","0.0002","11.869","0.0003","15.6316","0.0004","105.145","0.002","101.933","0.002","100.657","0.002","1196.58","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.0937","0.0521","","","0.105","0.1235","","","","","","1.03","","","","has coordinates","154521","2020-10-21","18:00:00",""
"1529865","14.7165","0.0004","5.7937","0.0001","33.4045","0.0008","90","","101.755","0.001","90","","2788.43","0.11","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 O5 -","- C35 H36 O5 -","- C140 H144 O20 -","4","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.0659","0.0416","","","0.0865","0.097","","","","","","1.011","","","","has coordinates","154521","2020-10-21","18:00:00",""
"1529866","9.2832","0.0019","10.302","0.002","12.39","0.002","76.387","0.004","83.994","0.005","64.267","0.004","1037.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C48 H46 N2 O6 S2 -","2","1","","Zhang, Xiaojuan; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Cyclization of N-Tosyl-aniline Tethered Allenyl Aldehydes with Arylboronic Acids: Diastereo- and Enantioselective Synthesis of Tetrahydroquinoline Derivatives.","Organic letters","2015","17","15","3910","3913","10.1021/acs.orglett.5b01894","","","0.71073","MoKα","","0.0793","0.0515","","","0.1285","0.148","","","","","","1.026","","","","has coordinates","154522","2020-10-21","18:00:00",""
"1529867","17.622","0.005","17.622","0.005","37.634","0.011","90","","90","","120","","10121","5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H60 Cl9 N6 O6 P3 -","- C66 H60 Cl9 N6 O6 P3 -","- C396 H360 Cl54 N36 O36 P18 -","6","0.333333","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.088","0.0459","","","0.1168","0.1465","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529868","13.721","0.005","14.84","0.006","15.073","0.006","94.518","0.005","91.104","0.005","100.582","0.005","3006","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H65 N6 O8 P3 -","- C67 H65 N6 O8 P3 -","- C134 H130 N12 O16 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.085","0.0455","","","0.1078","0.1235","","","","","","0.985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529869","13.731","0.003","14.962","0.003","15.117","0.003","94.572","0.003","91.24","0.003","101.538","0.003","3031","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H63 N8 O6 P3 -","- C67 H63 N8 O6 P3 -","- C134 H126 N16 O12 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0903","0.0539","","","0.1387","0.1572","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529870","12.58","0.004","13.197","0.004","19.419","0.006","80.816","0.005","80.935","0.004","69.837","0.004","2969.2","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H65 N6 O7 P3 -","- C66 H65 N6 O7 P3 -","- C132 H130 N12 O14 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0931","0.0593","","","0.1702","0.2191","","","","","","0.786","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529871","13.914","0.003","13.914","0.003","28.339","0.007","90","","90","","120","","4751.4","1.9","100","","100","","","","","","","","","5","P 31","P 31","144","","","","- C63 H57 N6 O9 P3 -","- C63 H57 N6 O9 P3 -","- C189 H171 N18 O27 P9 -","3","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.1493","0.1137","","","0.2886","0.3204","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529872","13.123","0.002","13.188","0.002","19.257","0.003","73.751","0.002","79.26","0.002","66.588","0.002","2925.5","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H63 N6 O7 P3 S -","- C65 H63 N6 O7 P3 S -","- C130 H126 N12 O14 P6 S2 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0531","0.0378","","","0.0914","0.1017","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529873","11.5233","0.0013","7.6374","0.0008","11.6452","0.0013","90","","110.244","0.002","90","","961.56","0.18","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Reddy, B. V. Subba; Reddy, C. Ravikumar; Reddy, M. Rajashekhar; Yarlagadda, Suresh; Sridhar, B.","Substrate Directed C-H Activation for the Synthesis of Benzo[c]cinnolines through a Sequential C-C and C-N Bond Formation.","Organic letters","2015","17","15","3730","3733","10.1021/acs.orglett.5b01717","","","0.71073","MoKα","","0.0621","0.0601","","","0.1826","0.1846","","","","","","1.152","","","","has coordinates","154524","2020-10-21","18:00:00",""
"1529874","5.968","0.0009","10.51","0.001","25.663","0.002","90","","90","","90","","1609.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icacina9","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","0.72925","Synchrotron","","0.0494","0.0491","","","0.1243","0.1247","","","","","","1.065","","","","has coordinates","154525","2020-10-21","18:00:00",""
"1529875","6.8018","0.0003","20.5957","0.0009","12.4023","0.0005","90","","90","","90","","1737.41","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","Icacinlactone","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","1.54178","CuKα","","0.0721","0.0721","","","0.1924","0.1924","","","","","","1.221","","","","has coordinates","154526","2020-10-21","18:00:00",""
"1529876","9.578","0.002","10.805","0.003","12.575","0.002","102.754","0.018","97.366","0.015","93.699","0.019","1253","0.5","293.18","0.1","293.18","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 F3 O7 S -","- C23 H27 F3 O7 S -","- C46 H54 F6 O14 S2 -","2","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.1711","0.0766","","","0.1432","0.2088","","","","","","1.015","","","","has coordinates","154527","2020-10-21","18:00:00",""
"1529877","5.4961","0.0005","23.714","0.0019","17.6522","0.0013","90","","96.871","0.007","90","","2284.2","0.3","295.35","0.1","295.35","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl F3 N O2 S2 -","- C22 H21 Cl F3 N O2 S2 -","- C88 H84 Cl4 F12 N4 O8 S8 -","4","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.2562","0.082","","","0.1621","0.2684","","","","","","0.992","","","","has coordinates","154528","2020-10-21","18:00:00",""
"1529878","9.9242","0.0004","15.9342","0.0006","10.0614","0.0004","90","","106.109","0.004","90","","1528.58","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 O3 S -","- C16 H15 F3 O3 S -","- C64 H60 F12 O12 S4 -","4","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.0611","0.0433","","","0.0943","0.1049","","","","","","1.022","","","","has coordinates","154529","2020-10-21","18:00:00",""
"1529879","6.1858","0.001","17.934","0.003","11.7423","0.0019","90","","101.212","0.003","90","","1277.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","","Haidzinskaya, Tatsiana; Kerchner, Hilary A.; Liu, Jixin; Watson, Mary P.","Diastereoselective, Zinc-Catalyzed Alkynylation of α-Bromo Oxocarbenium Ions.","Organic letters","2015","17","15","3857","3859","10.1021/acs.orglett.5b01838","","","0.71073","MoKα","","0.0711","0.0502","","","0.11","0.1193","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529880","5.7983","0.0001","8.1321","0.0002","24.8527","0.0006","90","","90.153","0.001","90","","1171.86","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C48 H52 Br4 O12 -","4","1","","Haidzinskaya, Tatsiana; Kerchner, Hilary A.; Liu, Jixin; Watson, Mary P.","Diastereoselective, Zinc-Catalyzed Alkynylation of α-Bromo Oxocarbenium Ions.","Organic letters","2015","17","15","3857","3859","10.1021/acs.orglett.5b01838","","","0.71073","MoKα","","0.027","0.023","","","0.0575","0.0593","","","","","","1.029","","","","has coordinates","154531","2020-10-21","18:00:00",""
"1529881","6.6041","0.0009","7.3454","0.001","25.445","0.003","90","","90.254","0.003","90","","1234.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Komkov, Alexander V.; Komendantova, Anna S.; Menchikov, Leonid G.; Chernoburova, Elena I.; Volkova, Yulia A.; Zavarzin, Igor V.","A Straightforward Approach toward Multifunctionalized Pyridazines via Imination/Electrocyclization.","Organic letters","2015","17","15","3734","3737","10.1021/acs.orglett.5b01718","","","0.71073","MoKα","","0.0675","0.0491","","","0.13","0.1415","","","","","","1.011","","","","has coordinates","154532","2020-10-21","18:00:00",""
"1529882","7.4962","0.0003","17.6328","0.0008","16.4671","0.0007","90","","93.865","0.004","90","","2171.65","0.16","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F3 N2 -","- C27 H19 F3 N2 -","- C108 H76 F12 N8 -","4","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0664","0.0517","","","0.1453","0.1602","","","","","","1.039","","","","has coordinates,has disorder","154533","2020-10-21","18:00:00",""
"1529883","7.3862","0.0003","11.9598","0.0005","17.2782","0.0007","90","","90","","90","","1526.31","0.11","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0374","0.0348","","","0.0941","0.0973","","","","","","1.026","","","","has coordinates","154534","2020-10-21","18:00:00",""
"1529884","21.3348","0.0007","10.673","0.0002","18.3612","0.0006","90","","110.777","0.004","90","","3909.1","0.2","291","2","291.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0512","0.0406","","","0.1105","0.119","","","","","","1.045","","","","has coordinates","154535","2020-10-21","18:00:00",""
"1529885","13.4407","0.0011","21.762","0.002","8.4346","0.0008","90","","99.174","0.009","90","","2435.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","1.54184","CuKα","","0.1282","0.0622","","","0.1594","0.2166","","","","","","0.919","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529886","10.2147","0.0013","11.39","0.0014","12.1881","0.0015","68.285","0.002","71.067","0.002","83.51","0.003","1246.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F3 N O4 S -","- C28 H24 F3 N O4 S -","- C56 H48 F6 N2 O8 S2 -","2","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.0613","0.0468","","","0.1282","0.1401","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529887","13.079","0.003","9.117","0.0018","8.934","0.0018","90","0.03","107.82","0.03","90","0.03","1014.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 N2 O8 P2 -","- C12 H30 N2 O8 P2 -","- C24 H60 N4 O16 P4 -","2","0.5","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0496","0.0374","","","0.0994","0.1068","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529888","8.201","0.0016","28.502","0.006","9.712","0.0019","90","","90","","90","","2270.1","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H18 Na2 O12 P2 -","- C12 H18 Na2 O12 P2 -","- C48 H72 Na8 O48 P8 -","4","0.5","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.1459","0.0962","","","0.2405","0.2891","","","","","","1.065","","","","has coordinates","183088","2020-10-21","18:00:00",""
"1529889","13.431","0.003","8.8309","0.0018","7.781","0.0016","90","","123.98","0.03","90","","765.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H16 O6 P2 -","- C12 H16 O6 P2 -","- C24 H32 O12 P4 -","2","0.25","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0545","0.0504","","","0.1373","0.1416","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529890","9.352","0.0019","10.458","0.002","15.736","0.003","81.56","0.03","82.84","0.03","63.46","0.03","1358.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H40 N2 O10 P2 -","- C18 H40 N2 O10 P2 -","- C36 H80 N4 O20 P4 -","2","1","","Li, Yufeng; Jian, Fangfang","Molecular Structures of the Products of a Diphosphonate Ester Building Block with Lewis Bases.","Molecules (Basel, Switzerland)","2015","20","8","14435","14450","10.3390/molecules200814435","","","0.71073","MoKα","","0.0903","0.057","","","0.1694","0.1925","","","","","","1.053","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1530387","16.472","0.002","18.563","0.0004","11.996","0.002","90","","92.581","0.01","90","","3664.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","2","","Fanelli, Roberto; Salah, Khoubaib Ben Haj; Inguimbert, Nicolas; Didierjean, Claude; Martinez, Jean; Cavelier, Florine","Access to α,α-Disubstituted Disilylated Amino Acids and Their Use in Solid-Phase Peptide Synthesis.","Organic letters","2015","17","18","4498","4501","10.1021/acs.orglett.5b02175","","","1.54184","CuKα","","0.091","0.0711","","","0.1853","0.2092","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530388","13.4257","0.0011","10.9838","0.0007","14.5635","0.0011","90","","109.954","0.009","90","","2018.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","","Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.","Organic letters","2015","17","18","4412","4415","10.1021/acs.orglett.5b01943","","","0.71073","MoKα","","0.0772","0.0506","","","0.1324","0.1543","","","","","","1.037","","","","has coordinates","160561","2020-10-21","18:00:00",""
"1530389","7.6543","0.0009","11.1582","0.0012","16.8881","0.0016","90","","101.198","0.011","90","","1414.9","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.","Organic letters","2015","17","18","4412","4415","10.1021/acs.orglett.5b01943","","","0.71073","MoKα","","0.0671","0.0467","","","0.1126","0.1297","","","","","","1.032","","","","has coordinates","160561","2020-10-21","18:00:00",""
"1530390","7.3491","0.0002","11.3041","0.0004","30.6417","0.0011","90","","90","","90","","2545.56","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C116 H176 O16 -","4","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0421","0.0409","","","0.1073","0.1084","","","","","","1.032","","","","has coordinates","160562","2020-10-21","18:00:00",""
"1530391","7.3331","0.0001","10.1624","0.0002","19.3573","0.0003","90","","97.23","","90","","1431.07","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O5 -","- C32 H48 O5 -","- C64 H96 O10 -","2","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.1036","0.1026","","","0.2723","0.2762","","","","","","1.366","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530392","7.357","0.0003","11.5004","0.0005","15.8083","0.0006","101.789","0.002","102.383","0.002","90.228","0.001","1277.24","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0967","0.0954","","","0.2396","0.2429","","","","","","1.183","","","","has coordinates","160562","2020-10-21","18:00:00",""
"1530393","7.9562","0.0003","33.6801","0.0014","12.617","0.0005","90","","107.429","0.002","90","","3225.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C136 H216 O24 -","4","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0701","0.0663","","","0.1867","0.1902","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530394","16.1937","0.0015","43.708","0.004","33.799","0.003","90","","92.7924","0.0013","90","","23894","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C273 H261 Cl14 N O4 -","- C273 H261 Cl14 N O4 -","- C1092 H1044 Cl56 N4 O16 -","4","1","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.2912","0.1421","","","0.3422","0.3803","","","","","","1.675","","","","has coordinates,has disorder","170956","2020-10-21","18:00:00",""
"1530395","12.9767","0.0009","10.3514","0.0006","15.6662","0.0009","90","","105.739","0.005","90","","2025.5","0.2","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Br2 -","- C46 H52 Br2 -","- C92 H104 Br4 -","2","0.5","","Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus","π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener","Chem. Sci.","2015","6","12","7072","","10.1039/C5SC02547H","","","0.71073","MoKα","","0.0726","0.0383","","","0.0832","0.101","","","","","","1.021","","","","has coordinates","170956","2020-10-21","18:00:00",""
"1530396","12.3629","0.0016","12.8888","0.0019","13.1011","0.0018","90","","90","","90","","2087.6","0.5","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark","Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii)","Chem. Sci.","2015","6","12","6823","","10.1039/C5SC02854J","","","0.71073","MoKα","","0.0543","0.0438","","","0.0949","0.1","","","","","","1.067","","","","has coordinates","170958","2020-10-21","18:00:00",""
"1530397","26.362","0.005","16.67","0.003","19.521","0.004","90","","108.29","0.03","90","","8145","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H99 Co3 Fe2 N21 O22 -","- C59 H63 Co3 Fe2 N21 O22 -","- C236 H252 Co12 Fe8 N84 O88 -","4","0.5","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1507","0.0638","","","0.1595","0.1747","","","","","","1.203","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530398","17.276","0.004","29.697","0.006","31.436","0.006","90","","98.5","0.03","90","","15951","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H164 Co6 Fe4 N42 O31 -","- C114 H126 Co6 Fe4 N42 O29 -","- C456 H504 Co24 Fe16 N168 O116 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1748","0.0742","","","0.1831","0.2116","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530399","10.187","0.002","42.792","0.009","17.083","0.003","90","","101.5","0.03","90","","7297","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Co3 Fe2 N21 O12 -","- C57 H63 Co3 Fe2 N21 O11 -","- C228 H252 Co12 Fe8 N84 O44 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1999","0.094","","","0.2726","0.3198","","","","","","0.934","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530687","7.9069","0.0004","8.1826","0.0003","38.9732","0.0016","90","","90","","90","","2521.53","0.19","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O9 -","- C26 H40 O9 -","- C104 H160 O36 -","4","1","","Huang, Zheng; Zhu, Zhi-Xiang; Li, Yue-Ting; Pang, Dao-Ran; Zheng, Jiao; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Anti-inflammatory Labdane Diterpenoids from Leonurus macranthus.","Journal of natural products","2015","78","9","2276","2285","10.1021/acs.jnatprod.5b00635","","","1.5418","CuKα","","0.038","0.0367","","","0.0935","0.0947","","","","","","1.042","","","","has coordinates","160545","2020-10-21","18:00:00",""
"1530688","20.4743","0.0012","8.7109","0.0006","22.4995","0.0014","90","","112.422","0.004","90","","3709.4","0.4","150","0.02","150","0.02","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C36 H53 N3 O4 S -","- C36 H53 N3 O4 S -","- C144 H212 N12 O16 S4 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.161","0.099","","","0.235","0.285","","","","","","1.002","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1530689","21.0551","0.0006","21.0551","0.0006","13.925","0.0005","90","","90","","120","","5346.1","0.3","150","0.02","150","0.02","","","","","","","","6","P 61","P 61","169","","","","- C29 H49 Cl N2 O3 S -","- C29 H49 Cl N2 O3 S -","- C174 H294 Cl6 N12 O18 S6 -","6","1","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.094","0.083","","","0.218","0.234","","","","","","1.101","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530690","7.378","0.0005","14.3067","0.001","36.57","0.003","90","","92.36","0.001","90","","3856.9","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H60.5 Br N2 O5.25 S2 -","- C38 H60.5 Br N2 O5.25 S2 -","- C152 H242 Br4 N8 O21 S8 -","4","2","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","x-ray","0.71073","MoKα","","0.1177","0.0678","","","0.1592","0.188","","","","","","0.981","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530691","23.591","0.002","10.436","0.0011","15.7392","0.0016","90","","101.118","0.002","90","","3802.2","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(sIMes)2CoCl","","- C42 H52 Cl Co N4 -","- C42 H52 Cl Co N4 -","- C168 H208 Cl4 Co4 N16 -","4","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0889","0.0514","","","0.1257","0.1461","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530692","29.581","0.003","11.9267","0.0011","32.317","0.003","90","","101.11","0.002","90","","11187.9","1.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Co(sMes)2][BPh4]","","- C66 H72 B Co N4 -","- C66 H72 B Co N4 -","- C528 H576 B8 Co8 N32 -","8","1","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0969","0.0543","","","0.141","0.1669","","","","","","1.012","","","","has coordinates","170955","2020-10-21","18:00:00",""
"1530693","14.0529","0.001","14.0529","0.001","18.2643","0.0018","90","","90","","90","","3606.9","0.5","140","2","140","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","[Co(IAd)2][BArF4]","","- C78 H76 B Co F24 N4 -","- C78 H76 B Co F24 N4 -","- C156 H152 B2 Co2 F48 N8 -","2","0.25","","Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song","Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes","Chem. Sci.","2015","6","12","7156","","10.1039/C5SC02611C","","","0.71073","MoKα","","0.0948","0.0656","","","0.1841","0.2084","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530694","9.127","0.002","9.176","0.002","10.453","0.003","102.454","0.009","105.352","0.009","97.467","0.009","807.9","0.3","300","2","300.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Fe2 N O6 S2 -","- C11 H7 Fe2 N O6 S2 -","- C22 H14 Fe4 N2 O12 S4 -","2","1","","Tooley, C. A.; Pazicni, S.; Berda, E. B.","Toward a tunable synthetic [FeFe] hydrogenase mimic: single-chain nanoparticles functionalized with a single diiron cluster","Polym. Chem.","2015","6","44","7646","","10.1039/C5PY01196E","","x-ray","0.71073","MoKα","","0.0525","0.0334","","","0.0762","0.0845","","","","","","1.017","","","","has coordinates","171370","2020-10-21","18:00:00",""
"1530695","6.8072","0.0009","18.152","0.002","13.3181","0.0016","90","","90.497","0.004","90","","1645.6","0.3","300","2","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Fe2 N O6 S2 -","- C11 H9 Fe2 N O6 S2 -","- C44 H36 Fe8 N4 O24 S8 -","4","1","","Tooley, C. A.; Pazicni, S.; Berda, E. B.","Toward a tunable synthetic [FeFe] hydrogenase mimic: single-chain nanoparticles functionalized with a single diiron cluster","Polym. Chem.","2015","6","44","7646","","10.1039/C5PY01196E","","x-ray","0.71073","MoKα","","0.038","0.0273","","","0.064","0.0692","","","","","","1.043","","","","has coordinates","171370","2020-10-21","18:00:00",""
"1530696","18.901","0.002","7.5595","0.0009","17.833","0.002","90","","111.235","0.002","90","","2375","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H21 N1.5 O6 P1.5 -","- C27 H21 N1.5 O6 P1.5 -","- C108 H84 N6 O24 P6 -","4","1","","Abbassi, Leïla; Chabre, Yoann M.; Kottari, Naresh; Arnold, Alexandre A.; André, Sabine; Josserand, Johan; Gabius, Hans-Joachim; Roy, René","Multifaceted glycodendrimers with programmable bioactivity through convergent, divergent, and accelerated approaches using polyfunctional cyclotriphosphazenes","Polym. Chem.","2015","6","44","7666","","10.1039/C5PY01283J","","","0.71073","MoKα","","0.0366","0.031","","","0.0667","0.0693","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531034","10.82123","0.00016","22.8438","0.0003","8.59627","0.00014","90","","108.437","0.0016","90","","2015.91","0.05","290.23","0.1","290.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Zhan, Gu; Shi, Ming-Lin; He, Qing; Du, Wei; Chen, Ying-Chun","[4 + 3] Cycloadditions with Bromo-Substituted Morita-Baylis-Hillman Adducts of Isatins and N-(ortho-Chloromethyl)aryl Amides.","Organic letters","2015","17","19","4750","4753","10.1021/acs.orglett.5b02279","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.1096","0.1122","","","","","","1.06","","","","has coordinates","160565","2020-10-21","18:00:00",""
"1531035","16.017","0.003","18.231","0.003","18.359","0.003","115.519","0.003","101.669","0.003","92.884","0.003","4680.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H37 Cu F35 N14 -","- C93 H37 Cu F35 N14 -","- C186 H74 Cu2 F70 N28 -","2","1","","Zhang, Kai; Zhang, Junda; Li, Xin; Guo, Rui; Ågren, Hans; Ou, Zhongping; Ishida, Masatoshi; Furuta, Hiroyuki; Xie, Yongshu","Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes.","Organic letters","2015","17","19","4806","4809","10.1021/acs.orglett.5b02363","","","0.71073","MoKα","","0.0996","0.0693","","","0.205","0.2318","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531036","16.045","0.003","18.292","0.004","18.495","0.004","115.633","0.004","101.728","0.004","93.013","0.004","4730.7","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H31 F35 N12 Zn -","- C89 H31 F35 N12 Zn -","- C178 H62 F70 N24 Zn2 -","2","1","","Zhang, Kai; Zhang, Junda; Li, Xin; Guo, Rui; Ågren, Hans; Ou, Zhongping; Ishida, Masatoshi; Furuta, Hiroyuki; Xie, Yongshu","Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes.","Organic letters","2015","17","19","4806","4809","10.1021/acs.orglett.5b02363","","","0.71073","MoKα","","0.1569","0.1107","","","0.2933","0.3206","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531037","45.887","0.008","45.887","0.008","45.887","0.008","90","","90","","90","","96620","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H48 O32 Zr6 -","- C180 H48 O32 Zr6 -","- C720 H192 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin","The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions","Chem. Sci.","2015","6","12","7163","","10.1039/C5SC02100F","","","0.518","","","0.0559","0.0523","","","0.1431","0.1472","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531038","11.5288","0.0005","12.5203","0.0005","21.155","0.0011","73.555","0.004","75.604","0.004","74.65","0.004","2774","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","- C107 H168 Fe2 N14 P2 Si6 -","1","0.5","","Metsänen, Toni T.; Gallego, Daniel; Szilvási, Tibor; Driess, Matthias; Oestreich, Martin","Peripheral mechanism of a carbonyl hydrosilylation catalysed by an SiNSi iron pincer complex","Chem. Sci.","2015","6","12","7143","","10.1039/C5SC02855H","","x-ray","1.54184","CuKα","","0.0635","0.0452","","","0.1026","0.1162","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531040","7.9908","0.0003","17.1771","0.0006","11.9692","0.0005","90","","100.208","0.0018","90","","1616.87","0.11","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F N2 O5 V -","- C16 H16 F N2 O5 V -","- C64 H64 F4 N8 O20 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0426","0.0332","","","0.0816","0.0872","","","","","","1.039","","","","has coordinates","170976","2020-10-21","18:00:00",""
"1531041","12.1706","0.0006","11.0345","0.0005","23.8844","0.0012","90","","100.883","0.0017","90","","3149.9","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N2 O8 V2 -","- C30 H44 N2 O8 V2 -","- C120 H176 N8 O32 V8 -","4","0.5","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0602","0.0409","","","0.0942","0.1048","","","","","","1.052","","","","has coordinates,has disorder","170976","2020-10-21","18:00:00",""
"1531042","14.7897","0.0004","13.1867","0.0003","7.8841","0.0002","90","","90","","90","","1537.62","0.07","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N O4 V -","- C15 H22 N O4 V -","- C60 H88 N4 O16 V4 -","4","1","","Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen","Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes","Chem. Sci.","2015","6","12","7130","","10.1039/C5SC02923F","","","0.71073","MoKα","","0.0317","0.0289","","","0.0725","0.074","","","","","","1.072","","","","has coordinates","170976","2020-10-21","18:00:00",""
"1531043","14.7352","0.0017","8.7127","0.0009","14.2158","0.0012","90","","114.431","0.012","90","","1661.7","0.3","293.18","0.1","293.18","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O7 -","- C19 H16 O7 -","- C76 H64 O28 -","4","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Zhou, Ai-Yu; Zhang, Yu; Du, Zhiyun; Zhang, Kun","α-Glucosidase Inhibition and Antihyperglycemic Activity of Phenolics from the Flowers of Edgeworthia gardneri.","Journal of agricultural and food chemistry","2015","63","37","8162","8169","10.1021/acs.jafc.5b03081","","x-ray","0.71073","MoKα","","0.1415","0.0713","","","0.1532","0.2056","","","","","","1.062","","","","has coordinates","160540","2020-10-21","18:00:00",""
"1531044","7.0717","0.0001","8.8439","0.0001","19.5443","0.0003","90","","96.556","0.001","90","","1214.33","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C60 H44 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0766","0.0746","","","0.223","0.2278","","","","","","0.961","","","","has coordinates,has disorder","170977","2020-10-21","18:00:00",""
"1531045","16.8074","0.0019","10.9989","0.0012","16.649","0.002","90","","92.018","0.003","90","","3075.9","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38.5 H29 Cl O4 -","- C38.5 H29 Cl O4 -","- C154 H116 Cl4 O16 -","4","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","0.71073","MoKα","","0.0758","0.054","","","0.1364","0.1527","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1531046","8.1626","0.0001","12.2302","0.0002","11.0742","0.0001","90","","101.402","0.001","90","","1083.72","0.02","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min","Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones","Chem. Sci.","2015","6","12","7319","","10.1039/C5SC03135D","","","1.54178","CuKα","","0.0371","0.0365","","","0.0941","0.1","","","","","","1.107","","","","has coordinates","170977","2020-10-21","18:00:00",""
"1531047","28.3793","0.0016","8.2635","0.0004","21.2253","0.0014","90","","112.455","0.007","90","","4600.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 F3 N2 -","- C30 H21 F3 N2 -","- C240 H168 F24 N16 -","8","1","","Mukundam, Vanga; Kumar, Atul; Dhanunjayarao, Kunchala; Ravi, Arthi; Peruncheralathan, S.; Venkatasubbaiah, Krishnan","Tetraaryl pyrazole polymers: versatile synthesis, aggregation induced emission enhancement and detection of explosives","Polym. Chem.","2015","6","44","7764","","10.1039/C5PY01218J","","","0.71073","MoKα","","0.1","0.0618","","","0.1703","0.203","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531166","9.2332","0.0003","11.8033","0.0005","13.4383","0.0006","78.564","0.004","74.091","0.004","80.538","0.003","1371.04","0.1","289.2","0.4","289.2","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C56 H52 N4 O8 S4 -","2","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","x-ray","1.54184","CuKα","","0.0481","0.0427","","","0.1227","0.1283","","","","","","1.038","","","","has coordinates","160567","2020-10-21","18:00:00",""
"1531170","7.8395","0.00006","12.02537","0.00011","26.9644","0.0002","90","","90","","90","","2542.01","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","","1.54184","CuKα","","0.0259","0.0255","","","0.0683","0.0689","","","","","","0.925","","","","has coordinates","160567","2020-10-21","18:00:00",""
"1531174","5.35547","0.00005","17.35361","0.00013","27.184","0.0002","90","","90","","90","","2526.39","0.04","284.46","0.1","284.46","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0696","0.0698","","","","","","1.035","","","","has coordinates","160567","2020-10-21","18:00:00",""
"1531311","12.489","0.003","12.502","0.003","20.618","0.005","84.375","0.004","75.312","0.004","65.747","0.004","2839.1","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H79 B N3 O2 Sc Si -","- C60 H79 B N3 O2 Sc Si -","- C120 H158 B2 N6 O4 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0685","0.053","","","0.139","0.1492","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531312","13.706","0.003","12.501","0.003","31.255","0.007","90","","97.34","0.005","90","","5311","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 B N3 O2 Sc Si -","- C54 H81 B N3 O2 Sc Si -","- C216 H324 B4 N12 O8 Sc4 Si4 -","4","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.1264","0.0622","","","0.1341","0.1587","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531313","12.0903","0.0016","12.7458","0.0017","18.106","0.002","93.545","0.002","99.571","0.002","114.287","0.002","2481.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H75 B N3 O4 Sc Si -","- C53 H68 B N3 O4 Sc Si -","- C106 H136 B2 N6 O8 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.1064","0.0634","","","0.1513","0.1716","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531314","12.7148","0.0012","14.2837","0.0016","15.4973","0.0017","102.293","0.004","99.228","0.004","91.066","0.004","2710.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","ScCOMePy","","","- C59 H79 B N4 O Sc Si -","- C59 H79 B N4 O Sc Si -","- C118 H158 B2 N8 O2 Sc2 Si2 -","2","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0508","0.041","","","0.1085","0.1154","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531315","12.8438","0.0017","20.755","0.003","18.74","0.003","90","","108.462","0.006","90","","4738.5","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ScCOEthylene","","","- C50 H71 B N3 O2 Sc Si -","- C50 H71 B N3 O2 Sc Si -","- C200 H284 B4 N12 O8 Sc4 Si4 -","4","1","","Wang, Baoli; Kang, Xiaohui; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Isolation, structure and reactivity of a scandium boryl oxycarbene complex","Chem. Sci.","2015","","","","","10.1039/C5SC03138A","","","0.71073","MoKα","","0.0676","0.0498","","","0.1063","0.1138","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1531316","12.9997","0.001","21.3361","0.0015","13.502","0.001","90","","106.398","0.002","90","","3592.6","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diphenyl-9H-carbazol-3-ol","","- C24 H17 N O -","- C24 H17 N O -","- C192 H136 N8 O8 -","8","2","","Poudel, Tej Narayan; Lee, Yong Rok","Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group","Chem. Sci.","2015","6","12","7028","","10.1039/C5SC02407B","","","0.71073","MoKα","","0.1063","0.0484","","","0.0942","0.1209","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531795","6.58475","0.00012","12.3394","0.0002","13.1873","0.0003","90","","101.317","0.0018","90","","1050.66","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O9 -","- C22 H26 O9 -","- C44 H52 O18 -","2","1","","Wang, Yuezhou; Qi, Shuang; Zhan, Ying; Zhang, Nanwen; Wu, An-An; Gui, Fu; Guo, Kai; Yang, Yanru; Cao, Shugeng; Hu, Zhiyu; Zheng, Zhonghui; Song, Siyang; Xu, Qingyan; Shen, Yuemao; Deng, Xianming","Aspertetranones A-D, Putative Meroterpenoids from the Marine Algal-Associated Fungus Aspergillus sp. ZL0-1b14.","Journal of natural products","2015","78","10","2405","2410","10.1021/acs.jnatprod.5b00487","","","1.54184","CuKα","","0.0252","0.0251","","","0.0663","0.0664","","","","","","1.045","","","","has coordinates","170087","2020-10-21","18:00:00",""
"1531937","12.7422","0.0009","26.6786","0.0018","28.5026","0.0019","99.098","0.001","90.144","0.001","90.509","0.001","9566.9","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(Et2O)TlPd(CNArDipp2]BArF","","- C98 H96 B F24 N2 O Pd Tl -","- C98 H96 B F24 N2 O Pd Tl -","- C392 H384 B4 F96 N8 O4 Pd4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.079","0.0454","","","0.0803","0.0887","","","","","","1.029","","","","has coordinates,has disorder","287935","2023-12-01","15:06:59",""
"1531938","12.5519","0.0005","20.2591","0.0008","21.647","0.0008","105.597","0.001","102.325","0.001","97.308","0.001","5079.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","[(eta6-Tol)2TlPd(CNArDipp2)2]BArF","","","- C108 H102 B F24 N2 Pd Tl -","- C108 H102 B F24 N2 Pd Tl -","- C216 H204 B2 F48 N4 Pd2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0653","0.0694","","","","","","1.029","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531939","11.7798","0.001","29.62","0.002","20.9358","0.0016","90","","90.39","0.004","90","","7304.7","1","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]2[u-AgOTf]2(OTf)","","","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C152 H172 Ag4 F12 N4 O12 Pt2 S4 -","- C304 H344 Ag8 F24 N8 O24 Pt4 S8 -","2","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1016","0.0503","","","0.081","0.0977","","","","","","1.003","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531940","18.6061","0.001","19.7722","0.0011","20.9507","0.0014","90","","106.515","0.002","90","","7389.5","0.8","150","2","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[AgPt(CNArDipp2)2(C6H6)]OTf","","","- C81 H92 Ag F3 N2 O3 Pt S -","- C81 H92 Ag F3 N2 O3 Pt S -","- C324 H368 Ag4 F12 N8 O12 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0681","0.0419","","","0.0885","0.1032","","","","","","1.078","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531941","13.95","0.0008","16.2777","0.001","17.6213","0.001","66.887","0.003","70.018","0.003","71.465","0.003","3379.6","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","[TlPt(CNArDipp2)2]OTf","","","- C71 H94 F3 N2 O5 Pt S Tl -","- C63 H74 F3 N2 O3 Pt S Tl -","- C126 H148 F6 N4 O6 Pt2 S2 Tl2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0468","0.0344","","","0.0737","0.079","","","","","","1.057","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531942","15.5936","0.0016","21.315","0.002","24.141","0.003","90","","90","","90","","8023.9","1.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPd(CNArDipp2)2(THF)]OTf","","","- C93 H134 Ag F3 N2 O10.5 Pd S -","- C67 H82 Ag F3 N2 O4 Pd S -","- C268 H328 Ag4 F12 N8 O16 Pd4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0821","0.0618","","","0.1691","0.1833","","","","","","1.069","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531943","15.6478","0.0015","21.2503","0.0019","24.077","0.002","90","","90","","90","","8006.1","1.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPt(CNArDipp2)2(THF)]OTf","","","- C79 H106 Ag F3 N5 O4 Pt S -","- C67 H82 Ag F3 N2 O4 Pt S -","- C268 H328 Ag4 F12 N8 O16 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0453","0.0359","","","0.0851","0.0888","","","","","","1.033","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531944","14.5289","0.0018","15.663","0.002","17.673","0.002","96.662","0.004","109.412","0.004","94.019","0.004","3742.1","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","[AgPd(CNArDipp2)2(C7H8)]OTf","","","- C84 H98 Ag F3 N2 O3 Pd S -","- C84 H98 Ag F3 N2 O3 Pd S -","- C168 H196 Ag2 F6 N4 O6 Pd2 S2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0542","0.035","","","0.0696","0.0756","","","","","","1.028","","","","has coordinates","170960","2020-10-21","18:00:00",""
"1531945","12.7326","0.0012","26.642","0.003","28.428","0.003","99.2","0.004","90.224","0.004","90.514","0.004","9518.8","1.7","100","","100","","","","","","","","","8","P -1","-P 1","2","[(Et2O)TlPt(CNArDipp2)2]BArF","","","- C98 H96 B F24 N2 O Pt Tl -","- C98 H96 B F24 N2 O Pt Tl -","- C392 H384 B4 F96 N8 O4 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0435","0.0305","","","0.0671","0.0724","","","","","","1.01","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531946","14.6265","0.0007","20.6542","0.001","31.1986","0.0015","76.597","0.002","79.378","0.003","89.566","0.003","9005.2","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","[TlPt(CNArDipp2)2]BArF","","","- C94 H86 B F24 N2 Pt Tl -","- C94 H86 B F24 N2 Pt Tl -","- C376 H344 B4 F96 N8 Pt4 Tl4 -","4","2","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.1261","0.0601","","","0.103","0.1209","","","","","","1.013","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1531947","10.4482","0.0008","10.4482","0.0008","14.7573","0.0013","90","","90","","90","","1611","0.2","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C3 H7 Cl3 I0 N O0 Pb -","- C3 H7 Cl3 N Pb -","- C24 H56 Cl24 N8 Pb8 -","8","1","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.0304","0.0295","","","0.0669","0.0675","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531948","21.2016","0.0013","15.9211","0.0011","26.4092","0.0015","90","","91.811","0.006","90","","8910","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H180 Cl59 N16 O2 Pb21 -","- C80 H176 Cl59 N16 O Pb21 -","- C160 H352 Cl118 N32 O2 Pb42 -","2","0.5","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong","Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission","Chem. Sci.","2015","6","12","7222","","10.1039/C5SC02501J","","","0.71073","MoKα","","0.1043","0.0938","","","0.2254","0.2311","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532146","7.235","0.002","41.244","0.013","21.816","0.007","90","","90","","90","","6510","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","a10315c","","- C24 H12 N6 O6 -","- C24 H12 N6 O6 -","- C192 H96 N48 O48 -","8","1","","Zhan, Tian-Guang; Zhou, Tian-You; Qi, Qiao-Yan; Wu, Jian; Li, Guang-Yu; Zhao, Xin","The construction of supramolecular polymers through anion bridging: from frustrated hydrogen-bonding networks to well-ordered linear arrays","Polym. Chem.","2015","6","43","7586","","10.1039/C5PY01284H","","","0.71073","MoKα","","0.1998","0.0662","","","0.1531","0.1945","","","","","","0.665","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532452","10.141","0.003","11.619","0.004","11.643","0.004","86.263","0.004","69.71","0.003","76.551","0.004","1251.3","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H34 I2 N4 Ni O4 S2 -","- C15 H34 I2 N4 Ni O4 S2 -","- C30 H68 I4 N8 Ni2 O8 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0479","0.0365","","","0.0901","0.0955","","","","","","1.047","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532453","7.5419","0.0017","8.0477","0.0018","16.687","0.004","78.174","0.003","82.069","0.003","86.421","0.003","981.2","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Co N2 O6 S2 -","- C15 H29 Co N2 O6 S2 -","- C30 H58 Co2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0496","0.0379","","","0.0851","0.093","","","","","","1.119","","","","has coordinates,has disorder","170963","2020-10-21","18:00:00",""
"1532454","7.486","0.007","8.04","0.008","16.74","0.016","78.165","0.013","82.235","0.013","86.603","0.013","976.6","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Fe N2 O6 S2 -","- C15 H28 Fe N2 O6 S2 -","- C30 H56 Fe2 N4 O12 S4 -","2","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0814","0.0576","","","0.1555","0.1647","","","","","","1.126","","","","has coordinates","170963","2020-10-21","18:00:00",""
"1532455","19.683","0.003","12.1661","0.0019","19.517","0.003","90","","106.346","0.003","90","","4484.7","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H56 Cu2 N4 O12 S4 -","- C30 H56 Cu2 N4 O12 S4 -","- C120 H224 Cu8 N16 O48 S16 -","4","0.5","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.0627","0.0418","","","0.0993","0.1059","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532456","9.6252","0.0008","12.3461","0.001","12.2335","0.001","90","","103.606","0.004","90","","1413","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N2 O2 S2 -","- C11 H24 N2 O2 S2 -","- C44 H96 N8 O8 S8 -","4","1","","Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y.","The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes","Chem. Sci.","2015","6","12","7079","","10.1039/C5SC02269J","","","0.71073","MoKα","","0.074","0.0666","","","0.1657","0.1731","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532457","9.799","0.004","11.932","0.007","13.735","0.007","84.22","0.03","72.85","0.03","66.98","0.02","1412.1","1.3","110","","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0666","0.0545","","","0.1303","0.1388","","","","","","1.011","","","","has coordinates,has disorder","160564","2020-10-21","18:00:00",""
"1532458","10.274","0.013","10.828","0.013","13.62","0.015","73.61","0.04","83.52","0.06","85.57","0.05","1443","3","110","","110","2","","","","","","","","3","P -1","-P 1","2","EBTT-C8-2","","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.09","0.0654","","","0.1536","0.1683","","","","","","1.048","","","","has coordinates","160564","2020-10-21","18:00:00",""
"1532459","7.769","0.003","12.591","0.004","12.753","0.004","93.524","0.003","98.169","0.006","101.228","0.006","1206.1","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","EBTT-C6","","","- C28 H32 S3 -","- C28 H32 S3 -","- C56 H64 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0324","0.0283","","","0.0823","0.0837","","","","","","1.073","","","","has coordinates","160564","2020-10-21","18:00:00",""
"1532460","11.959","0.011","22.114","0.019","7.632","0.006","90","","97.436","0.014","90","","2001","3","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 S3 -","- C24 H24 S3 -","- C96 H96 S12 -","4","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0687","0.0595","","","0.1166","0.122","","","","","","1.162","","","","has coordinates","160564","2020-10-21","18:00:00",""
"1532461","13.033","0.007","3.916","0.002","24.464","0.013","90","","103.214","0.008","90","","1215.5","1.1","113","","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","EBTT","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0422","0.0347","","","0.0738","0.0779","","","","","","1.063","","","","has coordinates","160564","2020-10-21","18:00:00",""
"1532465","15.9874","0.0006","18.0758","0.0004","18.1871","0.0006","90","","107.85","0.004","90","","5002.8","0.3","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C47.5 H62.5 F6 N1.5 O6.5 P -","- C190 H250 F24 N6 O26 P4 -","4","1","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.1088","0.0907","","","0.2874","0.3221","","","","","","1.349","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532466","43.2165","0.0013","43.2165","0.0013","12.4664","0.0004","90","","90","","120","","20163.7","1.1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C138 H129 F18 N3 O18 P3 -","- C138 H129 F18 N3 O18 P3 -","- C828 H774 F108 N18 O108 P18 -","6","0.333333","","Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei","Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities","Chem. Sci.","2015","6","12","6731","","10.1039/C5SC03251B","","","1.54178","CuKα","","0.0862","0.0712","","","0.2035","0.2243","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532468","30.664","0.005","17.225","0.005","27.371","0.005","90","0.005","105.9","0.005","90","0.005","13904","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H116 Cd2 N24 O25 -","- C48 H24 Cd2 N12 O12 -","- C192 H96 Cd8 N48 O48 -","4","0.5","","Sun, Chun-Yi; To, Wai-Pong; Wang, Xin-Long; Chan, Kaai-Tung; Su, Zhong-Min; Che, Chi-Ming","Metal‒organic framework composites with luminescent gold(iii) complexes. Strongly emissive and long-lived excited states in open air and photo-catalysis","Chem. Sci.","2015","6","12","7105","","10.1039/C5SC02216A","","","0.71069","MoKα","","0.1411","0.0723","","","0.1556","0.1677","","","","","","1.044","","","","has coordinates,has disorder","170964","2020-10-21","18:00:00",""
"1532469","10.806","0.002","18.897","0.004","21.557","0.004","108.61","0.03","90.43","0.03","103.93","0.03","4032.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.5 H111.5 Ge2 N2 Si2 -","- C91.5 H111.5 Ge2 N2 Si2 -","- C183 H223 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0828","0.0609","","","0.1581","0.1722","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532470","13.373","0.003","21.643","0.004","15.884","0.003","90","","102.62","0.03","90","","4486.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H122 Ge2 N2 O2 Si2 -","- C104 H122 Ge2 N2 O2 Si2 -","- C208 H244 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.1042","0.0699","","","0.1581","0.1796","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532471","10.783","0.002","11.465","0.002","16.298","0.003","97.01","0.03","91.76","0.03","92.77","0.03","1996.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 Ge N Si -","- C46 H57 Ge N Si -","- C92 H114 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0496","0.0405","","","0.0955","0.0996","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532472","11.543","0.0004","23.7164","0.0009","16.3022","0.0006","90","","97.979","0.001","90","","4419.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Ge N Si -","- C52 H61 Ge N Si -","- C208 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0919","0.0477","","","0.0942","0.1088","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532473","10.319","0.002","18.286","0.004","22.437","0.005","90","","91.27","0.03","90","","4232.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Ge N Si -","- C49 H61 Ge N Si -","- C196 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0838","0.0678","","","0.1839","0.1968","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532474","10.2741","0.0005","14.6818","0.0007","14.6417","0.0007","90","","102.077","0.003","90","","2159.71","0.18","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H63 Ge N Si -","- C50 H63 Ge N Si -","- C100 H126 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0588","0.0426","","","0.0897","0.0965","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532475","9.942","0.002","15.413","0.003","28.793","0.006","90","","97.18","0.03","90","","4377.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 Ge N Si -","- C52 H67 Ge N Si -","- C208 H268 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0599","0.0501","","","0.1404","0.1476","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532476","10.673","0.002","12.534","0.003","15.493","0.003","82.27","0.03","85.09","0.03","73.63","0.03","1968","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H57 N Si Sn -","- C46 H57 N Si Sn -","- C92 H114 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0415","0.0396","","","0.1038","0.1052","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532477","10.2591","0.0009","13.6505","0.001","17.3164","0.0015","99.111","0.007","105.293","0.008","95.189","0.007","2287.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N Si Sn -","- C52 H68 N Si Sn -","- C104 H136 N2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1164","0.0668","","","0.1044","0.1259","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532478","10.0813","0.0017","15.796","0.003","28.096","0.004","90","","96.916","0.013","90","","4441.6","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Ge N Si -","- C53 H61 Ge N Si -","- C212 H244 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.2768","0.0925","","","0.1923","0.2723","","","","","","0.914","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532479","10.1088","0.001","15.7379","0.0015","28.106","0.002","90","","96.853","0.008","90","","4439.5","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 N Si Sn -","- C53 H61 N Si Sn -","- C212 H244 N4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.1223","0.0813","","","0.1748","0.1985","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532480","10.003","0.0006","15.4017","0.0012","28.92","0.002","90","","97.698","0.002","90","","4415.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Ge N Si -","- C52 H65 Ge N Si -","- C208 H260 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7108","Synchrotron","","0.0746","0.0452","","","0.1035","0.1155","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532481","11.374","0.0004","23.3065","0.0008","16.3439","0.0005","90","","97.891","0.002","90","","4291.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 Ge N Si -","- C49 H63 Ge N Si -","- C196 H252 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0698","0.0457","","","0.0989","0.1093","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532482","10.731","0.002","14.446","0.003","15.647","0.003","77.83","0.03","78.54","0.03","69.06","0.03","2194.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H62 Cl Ge N Si -","- C49 H62 Cl Ge N Si -","- C98 H124 Cl2 Ge2 N2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0741","0.0635","","","0.1721","0.1805","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532483","10.399","0.0004","14.2109","0.0005","15.4524","0.0005","90.483","0.001","101.026","0.001","105.118","0.001","2159.72","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H63 Ge N O Si -","- C48 H63 Ge N O Si -","- C96 H126 Ge2 N2 O2 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0617","0.044","","","0.1047","0.1127","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532484","14.604","0.003","15.84","0.003","20.773","0.004","88.61","0.03","82.84","0.03","84.99","0.03","4749.2","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 N2 O Si Sn -","- C53 H70 N2 O Si Sn -","- C212 H280 N8 O4 Si4 Sn4 -","4","2","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.7109","Synchrotron","","0.0377","0.034","","","0.0857","0.0877","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532485","15.0392","0.0003","12.4994","0.0002","26.2128","0.0004","90","","93.127","0.002","90","","4920.17","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H154 Ge2 N2 O2 Si2 -","- C112 H154 Ge2 N2 O2 Si2 -","- C224 H308 Ge4 N4 O4 Si4 -","2","0.5","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","1.54184","CuKα","","0.0439","0.0391","","","0.1","0.1043","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532486","15.4827","0.0008","16.4448","0.0009","23.7823","0.0011","72.311","0.004","88.259","0.004","62.908","0.005","5094.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H158 N2 O2 Si2 Sn2 -","- C112 H158 N2 O2 Si2 Sn2 -","- C224 H316 N4 O4 Si4 Sn4 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes","Chem. Sci.","2015","6","12","7249","","10.1039/C5SC03376D","","","0.71073","MoKα","","0.0726","0.0495","","","0.1182","0.1342","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532487","9.772","0.0001","13.5369","0.0002","16.5519","0.0002","90","","90","","90","","2189.53","0.05","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O7 -","- C23 H32 O7 -","- C92 H128 O28 -","4","1","","Ma, Guoxu; Wu, Haifeng; Chen, Deli; Zhu, Nailiang; Zhu, Yindi; Sun, Zhonghao; Li, Pengfei; Yang, Junshan; Yuan, Jingquan; Xu, Xudong","Antimalarial and Antiproliferative Cassane Diterpenes of Caesalpinia sappan.","Journal of natural products","2015","78","10","2364","2371","10.1021/acs.jnatprod.5b00317","","","1.54178","CuKα","","0.0358","0.0353","","","0.1028","0.1033","","","","","","1.04","","","","has coordinates","170088","2020-10-21","18:00:00",""
"1532490","6.2435","0.0005","13.8921","0.0009","14.2338","0.001","100.533","0.004","92.139","0.005","100.164","0.005","1191.63","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B2 D3 N2 O2 -","- C27 H30 B2 D3 N2 O2 -","- C54 H60 B4 D6 N4 O4 -","2","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1799","0.0771","","","0.1471","0.1726","","","","","","0.928","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532491","12.0335","0.0018","13.357","0.002","17.045","0.003","73.663","0.004","81.968","0.004","79.686","0.004","2575","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 B2 N2 O2 -","- C30 H34 B2 N2 O2 -","- C120 H136 B8 N8 O8 -","4","2","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1718","0.0858","","","0.185","0.2381","","","","","","1.046","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532492","9.498","0.002","9.09","0.002","30.647","0.007","90","","94.119","0.003","90","","2639.1","1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 N2 O2 -","- C31 H36 B2 N2 O2 -","- C124 H144 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.0938","0.0595","","","0.1419","0.1579","","","","","","1.013","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532493","9.5066","0.0006","9.248","0.0005","30.632","0.002","90","","94.399","0.003","90","","2685.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B2 Br N2 O2 -","- C30 H33 B2 Br N2 O2 -","- C120 H132 B8 Br4 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.1277","0.0583","","","0.105","0.1268","","","","","","0.986","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532494","8.8862","0.0004","21.985","0.0011","14.0495","0.0007","90","","96.2349","0.0019","90","","2728.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 N2 O2 -","- C32 H39 B2 N2 O2 -","- C128 H156 B8 N8 O8 -","4","1","","Wu, Di; Ganguly, Rakesh; Li, Yongxin; Hoo, Sin Ni; Hirao, Hajime; Kinjo, Rei","Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene","Chem. Sci.","2015","6","12","7150","","10.1039/C5SC03174E","","","0.71073","MoKα","","0.095","0.0502","","","0.1347","0.1777","","","","","","1.093","","","","has coordinates","170968","2020-10-21","18:00:00",""
"1532495","14.978","0.002","16.438","0.003","29.361","0.005","90","","90","","90","","7229","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H52 I P2 Pd -","- C33 H52 I P2 Pd -","- C264 H416 I8 P16 Pd8 -","8","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0343","0.029","","","0.059","0.0613","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532496","14.0602","0.0006","28.6171","0.0012","16.9031","0.0007","90","","92.0331","0.0016","90","","6796.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H64 B F24 I P2 Pd -","- C65 H64 B F24.009 I P2 Pd -","- C260 H256 B4 F96.036 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0412","0.032","","","0.0725","0.0763","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532497","12.8203","0.0013","14.834","0.0015","19.174","0.0019","90","","106.641","0.0015","90","","3493.7","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 I P2 Pd -","- C33 H53 I P2 Pd -","- C132 H212 I4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0278","0.0245","","","0.0495","0.0505","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532498","17.0891","0.0017","14.014","0.0014","18.4206","0.0018","90","","100.081","0.003","90","","4343.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 I N P2 Pd -","- C40 H60 I N P2 Pd -","- C160 H240 I4 N4 P8 Pd4 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0334","0.03","","","0.0772","0.0792","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532499","11.8764","0.0006","14.433","0.0008","25.1741","0.0014","101.297","0.0016","93.5784","0.0016","111.2","0.0015","3903","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H57 I O P2 Pd -","- C39 H57 I O P2 Pd -","- C156 H228 I4 O4 P8 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0556","0.0389","","","0.0886","0.0934","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532500","10.0901","0.0007","23.7955","0.0017","31.205","0.002","90","","90.532","0.002","90","","7492","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H72 B F24 I P3 Pd -","- C68 H72 B F24 I P3 Pd -","- C272 H288 B4 F96 I4 P12 Pd4 -","4","2","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0658","0.0632","","","0.1651","0.1675","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532501","14.0266","0.0006","15.2323","0.0006","21.3735","0.0009","90","","90","","90","","4566.6","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H67 F3 O4 P2 Pd S2 -","- C44 H67 F3 O4 P2 Pd S2 -","- C176 H268 F12 O16 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0331","0.026","","","0.0561","0.059","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532502","11.297","0.003","11.59","0.003","36.768","0.01","90","","92.926","0.004","90","","4808","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 P2 Pd S2 -","- C50 H74 P2 Pd S2 -","- C200 H296 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0557","0.0392","","","0.0754","0.0807","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532507","7.784","0.0004","22.5821","0.0014","9.6099","0.0004","90","","90","","90","","1689.22","0.15","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 F S3 -","- C8 H4 F S3 -","- C64 H32 F8 S24 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.0398","0.0339","","","0.0782","0.0827","","","","","","1.075","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1532508","24.2039","0.0011","6.2548","0.0003","22.525","0.0009","90","","103.733","0.004","90","","3312.6","0.3","102.26","0.1","102.26","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 S6 -","- C16 H10 S6 -","- C128 H80 S48 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.0402","0.0362","","","0.1009","0.104","","","","","","0.996","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1532509","16.5074","0.0003","8.21747","0.00013","23.5969","0.0004","90","","90","","90","","3200.9","0.09","295.16","0.1","295.16","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 S6 Se2 -","- C12 H6 S6 Se2 -","- C96 H48 S48 Se16 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","1.54184","CuKα","","0.0577","0.0487","","","0.1279","0.1356","","","","","","1.065","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1532510","8.3161","0.0003","20.227","0.0007","9.2199","0.0004","90","","92.391","0.004","90","","1549.53","0.1","293.74","0.1","293.74","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 S8 -","- C12 H6 S8 -","- C48 H24 S32 -","4","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","0.71073","MoKα","","0.058638","0.051285","","","","0.143797","","","","","","1.03609","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1532833","8.7278","0.0003","9.6635","0.0004","46.6791","0.0018","90","","90","","90","","3937","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dibenzylammonium (3R,6R)-6-methyl-2-oxopiperidine -3-carboxylate","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C168 H224 N16 O32 -","8","2","","Chung, John Y. L.; Marcune, Benjamin; Strotman, Hallena R.; Petrova, Rositza I.; Moore, Jeffrey C.; Dormer, Peter G.","Synthesis of ((3R,6R)-6-Methylpiperidin-3-yl)methanol via Biocatalytic Transamination and Crystallization-Induced Dynamic Resolution","Organic Process Research & Development","2015","19","10","1418","","10.1021/acs.oprd.5b00259","","x-ray","1.5418","CuKα","","0.0605","0.0507","","","0.1182","0.1216","","","","","","1.043","","","","has coordinates","170096","2020-10-21","18:00:00",""
"1533007","9.5023","0.0003","12.6103","0.0004","15.1418","0.0005","97.784","0.003","90.79","0.003","100.069","0.003","1768.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","- C75 H88 Mo4 O8 P2 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0715","0.0516","","","0.1266","0.1389","","","","","","0.997","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533008","9.4563","0.0007","12.5189","0.0013","14.9787","0.0013","84.903","0.008","71.669","0.007","76.285","0.007","1635","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","- C68 H80 Mo4 O8 P2 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0654","0.0392","","","0.0708","0.0772","","","","","","0.945","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533009","9.6185","0.0007","10.2667","0.0007","17.5096","0.0013","83.519","0.006","77.307","0.006","78.461","0.006","1648.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","- C68 H86 Mo2 O4 P4 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.086","0.0708","","","0.1908","0.2034","","","","","","1.062","","","","has coordinates","170975","2020-10-21","18:00:00",""
"1533010","10.13","0.002","25.686","0.005","15.724","0.003","90","","96.36","0.03","90","","4066.2","1.4","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C81 H105 Mo3 O6 P5 Sm3 -","- C81 H105 Mo3 O6 P5 Sm3 -","- C162 H210 Mo6 O12 P10 Sm6 -","2","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.1889","0.1092","","","0.25","0.2946","","","","","","0.98","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533011","11.1671","0.0008","12.7931","0.001","14.7276","0.0009","98.952","0.006","110.227","0.006","95.319","0.006","1925.7","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","- C78 H106 Mo2 O4 P6 Sm2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","x-ray","1.54178","CuKα","","0.0368","0.0343","","","0.0799","0.0815","","","","","","1.066","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533012","11.1924","0.0003","12.6285","0.0003","14.6371","0.0004","99.581","0.002","110.455","0.002","94.847","0.002","1888.44","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","- C78 H106 Mo2 O4 P6 Yb2 -","1","0.5","","Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W.","The approach to 4d/4f-polyphosphides","Chem. Sci.","2015","6","12","7179","","10.1039/C5SC02252E","","","0.71073","MoKα","","0.0447","0.041","","","0.1014","0.1033","","","","","","1.084","","","","has coordinates,has disorder","170975","2020-10-21","18:00:00",""
"1533373","37.1846","0.0013","37.1846","0.0013","9.743","0.0003","90","","90","","90","","13471.6","0.8","180","2","180","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C28 H42 Au Cl3 N4 O -","- C28 H40 Au Cl3 N4 O -","- C448 H640 Au16 Cl48 N64 O16 -","16","","","Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.","AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages","Chem. Sci.","2015","6","12","7326","","10.1039/C5SC03065J","","","1.54178","CuKα","","0.0539","0.0472","","","0.1188","0.1237","","","","","","1.044","","","","has coordinates,has disorder","170965","2020-10-21","18:00:00",""
"1533374","11.3662","0.0009","17.1523","0.0013","15.528","0.0015","90","","111.111","0.002","90","","2824.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido-(pentamethylcyclopentadienyl)- (N-n-butyl-(para-trifluoromethylphenyl)(methylester)benzimidazol-κN,C)iridium(II)","","- C30 H33 Cl F3 Ir N2 O2 -","- C30 H33 Cl F3 Ir N2 O2 -","- C120 H132 Cl4 F12 Ir4 N8 O8 -","4","1","","Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José","Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.","Journal of medicinal chemistry","2015","58","18","7310","7327","10.1021/acs.jmedchem.5b01194","","","0.71073","MoKα","","0.1275","0.1147","","","0.2639","0.2721","","","","","","1.13","","","","has coordinates","159608","2020-10-21","18:00:00",""
"1533375","12.5656","0.0006","17.1429","0.0008","13.9971","0.0007","90","","108.785","0.002","90","","2854.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido-(1-methyl-4-isopropyl-benzene)- (N-n-butyl-(para-trifluoromethylphenyl)(methylester)benzimidazol-κN,C)ruthenium(II)","","- C30 H32 Cl F3 N2 O2 Ru -","- C30 H32 Cl F3 N2 O2 Ru -","- C120 H128 Cl4 F12 N8 O8 Ru4 -","4","1","","Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José","Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.","Journal of medicinal chemistry","2015","58","18","7310","7327","10.1021/acs.jmedchem.5b01194","","","0.71073","MoKα","","0.0565","0.0316","","","0.0623","0.0696","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533376","15.0788","0.0004","17.5135","0.0004","19.2065","0.0005","90","","90","","90","","5072.1","0.2","124","2","124","2","","","","","","","Saccharothrix sp. 10-10","3","P 21 21 21","P 2ac 2ab","19","","saccharothrixone D","","- C25.5 H28 O12.5 -","- C25.67 H24.83 O12.33 -","- C205.36 H198.64 O98.64 -","8","2","","Gan, Maoluo; Liu, Bin; Tan, Yi; Wang, Qiang; Zhou, Hongxia; He, Hongwei; Ping, Yuhui; Yang, Zhaoyong; Wang, Yiguang; Xiao, Chunling","Saccharothrixones A-D, Tetracenomycin-Type Polyketides from the Marine-Derived Actinomycete Saccharothrix sp. 10-10.","Journal of natural products","2015","78","9","2260","2265","10.1021/acs.jnatprod.5b00577","","","1.54184","CuKα","","0.0673","0.0637","","","0.1677","0.1713","","","","","","1.086","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1534094","12.6643","0.0014","15.7605","0.0017","18.076","0.002","105.968","0.001","97.219","0.002","99.105","0.001","3370.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Cl2 N10 O7 Ru -","- C78 H58 N10 O7 Ru -","- C156 H116 N20 O14 Ru2 -","2","1","","Fan, Congbin; Ye, Changqing; Wang, Xiaomei; Chen, Zhigang; Zhou, Yuyang; Liang, Zuoqin; Tao, Xutang","Synthesis and Electrochromic Properties of New Terpyridine‒Triphenylamine Hybrid Polymers","Macromolecules","2015","48","18","6465","","10.1021/acs.macromol.5b00493","","","0.71073","MoKα","","0.1497","0.0932","","","0.1412","0.1627","","","","","","1.102","","","","has coordinates","160414","2020-10-21","18:00:00",""
"1534095","8.2474","0.0016","12.543","0.003","29.019","0.006","90","","90","","90","","3001.9","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 N0 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou","Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris","Anal. Methods","2015","7","22","9568","","10.1039/C5AY02204E","","","0.71073","MoKα","","0.1205","0.0668","","","0.1111","0.126","","","","","","1.019","","","","has coordinates","170917","2020-10-21","18:00:00",""
"1534096","5.1904","0.0007","9.7263","0.0012","29.581","0.003","90","","90","","90","","1493.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Pathipati, Stalin R.; Singh, Vipender; Eriksson, Lars; Selander, Nicklas","Lewis Acid Catalyzed Annulation of Nitrones with Oxiranes, Aziridines, and Thiiranes.","Organic letters","2015","17","18","4506","4509","10.1021/acs.orglett.5b02195","","","0.71073","MoKα","","0.0579","0.0421","","","0.0765","0.0822","","","","","","1.099","","","","has coordinates","160449","2020-10-21","18:00:00",""
"1534097","11.7836","0.0012","8.1908","0.0007","21.1196","0.0019","90","","92.216","0.004","90","","2036.9","0.3","99.9","","99.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C108 H84 N4 O16 -","4","1","","Jung, Youngeun; Kim, Ikyon","Deformylative Intramolecular Hydroarylation: Synthesis of Benzo[e]pyrido[1,2-a]indoles.","Organic letters","2015","17","18","4600","4603","10.1021/acs.orglett.5b02331","","","0.71073","MoKα","","0.0479","0.0366","","","0.0843","0.0961","","","","","","1.072","","","","has coordinates","160450","2020-10-21","18:00:00",""
"1534098","11.5406","0.0012","9.3427","0.001","18.9135","0.0016","90","","96.804","0.003","90","","2024.9","0.3","303.7","","303.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Jung, Youngeun; Kim, Ikyon","Deformylative Intramolecular Hydroarylation: Synthesis of Benzo[e]pyrido[1,2-a]indoles.","Organic letters","2015","17","18","4600","4603","10.1021/acs.orglett.5b02331","","","0.71073","MoKα","","0.1088","0.0511","","","0.1001","0.1187","","","","","","1.032","","","","has coordinates,has disorder","160451","2020-10-21","18:00:00",""
"1534099","13.9954","0.0019","19.389","0.003","14.02","0.002","90","","115.309","0.002","90","","3439.3","0.9","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 Cl N4 O4 P -","- C62 H60 Cl N4 O4 P -","- C124 H120 Cl2 N8 O8 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1028","0.0861","","","0.2341","0.2495","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534100","12.0658","0.001","17.7295","0.0013","13.2309","0.001","90","","104.155","0.002","90","","2744.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H65 N4 O5 P -","- C65 H65 N4 O5 P -","- C130 H130 N8 O10 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1192","0.06","","","0.1167","0.1386","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534101","31.82","0.005","31.82","0.005","6.203","0.0012","90","","90","","120","","5439.2","1.6","294","2","294","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H29 F N2 O5 -","- C24 H29 F N2 O5 -","- C216 H261 F9 N18 O45 -","9","1","","Bonetti, Andrea; Pellegrino, Sara; Das, Priyadip; Yuran, Sivan; Bucci, Raffaella; Ferri, Nicola; Meneghetti, Fiorella; Castellano, Carlo; Reches, Meital; Gelmi, Maria Luisa","Dipeptide Nanotubes Containing Unnatural Fluorine-Substituted β(2,3)-Diarylamino Acid and l-Alanine as Candidates for Biomedical Applications.","Organic letters","2015","17","18","4468","4471","10.1021/acs.orglett.5b02132","","","0.71073","MoKα","","0.0712","0.0497","","","0.127","0.1434","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534102","9.507","0.002","9.4923","0.0013","14.387","0.002","90","","90.344","0.013","90","","1298.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","1","","Hassan, Haitham; Mohammed, Shireen; Robert, Frédéric; Landais, Yannick","Total Synthesis of (±)-Eucophylline. A Free-Radical Approach to the Synthesis of the Azabicyclo[3.3.1]nonane Skeleton.","Organic letters","2015","17","18","4518","4521","10.1021/acs.orglett.5b02218","","","1.54187","CuKα","","0.0441","0.0379","","","0.0994","0.1067","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534103","7.4677","0.0011","18.793","0.003","24.102","0.004","90","","94.988","0.006","90","","3369.7","0.9","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","2","","Hassan, Haitham; Mohammed, Shireen; Robert, Frédéric; Landais, Yannick","Total Synthesis of (±)-Eucophylline. A Free-Radical Approach to the Synthesis of the Azabicyclo[3.3.1]nonane Skeleton.","Organic letters","2015","17","18","4518","4521","10.1021/acs.orglett.5b02218","","","1.54187","CuKα","","0.0734","0.0507","","","0.1377","0.1448","","","","","","1.013","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1534104","25.108","0.0017","25.108","0.0017","8.6289","0.0008","90","","90","","90","","5439.8","0.7","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C13 H14 B Cl F2 N2 -","- C13 H14 B Cl F2 N2 -","- C208 H224 B16 Cl16 F32 N32 -","16","1","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0707","0.0579","","","0.1733","0.1872","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534105","15.6318","0.0017","13.1816","0.0014","15.4701","0.0017","90","","96.971","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 B Cl2 F2 N2 O -","- C16 H11 B Cl2 F2 N2 O -","- C128 H88 B8 Cl16 F16 N16 O8 -","8","1","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0433","0.0374","","","0.1032","0.1086","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534106","10.1284","0.0011","11.8356","0.0013","12.656","0.0013","91.216","0.001","110.273","0.001","107.739","0.001","1341.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 B Cl2 F2 N2 -","- C12 H11 B Cl2 F2 N2 -","- C48 H44 B4 Cl8 F8 N8 -","4","2","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0427","0.0358","","","0.0953","0.102","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534107","7.4471","0.0009","9.4405","0.0011","12.781","0.0016","79.059","0.003","79.842","0.003","75.136","0.003","844.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F3 O2 S -","- C20 H13 F3 O2 S -","- C40 H26 F6 O4 S2 -","2","1","","Xu, Chunfa; Shen, Qilong","Lewis Acid Mediated Trifluoromethylthio Lactonization/Lactamization.","Organic letters","2015","17","18","4561","4563","10.1021/acs.orglett.5b02315","","","0.71073","MoKα","","0.0926","0.067","","","0.146","0.1591","","","","","","1.051","","","","has coordinates,has disorder","160459","2020-10-21","18:00:00",""
"1534108","8.2556","0.0017","14.406","0.003","17.938","0.004","90","","93.63","0.03","90","","2129.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","141208b","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Liu, Hongxu; Yang, Yanyan; Wang, Shen; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao","Synthesis of 3-Substituted 2-Aminochromones via Sn(IV)-Promoted Annulation of Ynamides with 2-Methoxyaroyl Chlorides.","Organic letters","2015","17","18","4472","4475","10.1021/acs.orglett.5b02137","","","0.71073","MoKα","","0.1084","0.0941","","","0.2494","0.2603","","","","","","1.5","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534109","5.9946","0.0002","7.961","0.0002","12.7201","0.0004","85.167","0.002","84.614","0.002","73.532","0.002","578.51","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C28 H22 N2 O2 S2 -","2","1","","Lemercier, Bérénice C; Pierce, Joshua G.","Synthesis of 1,4,2-Oxathiazoles via Oxidative Cyclization of Thiohydroximic Acids.","Organic letters","2015","17","18","4542","4545","10.1021/acs.orglett.5b02256","","","0.71073","MoKα","","0.0564","0.0433","","","0.1057","0.114","","","","","","1.067","","","","has coordinates,has disorder","160461","2020-10-21","18:00:00",""
"1534110","10.469","0.003","11.122","0.003","11.473","0.004","90","","92.129","0.015","90","","1335","0.7","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 I N3 O4 S -","- C25 H22 Cl2 I N3 O4 S -","- C50 H44 Cl4 I2 N6 O8 S2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.072","0.0503","","","0.1055","0.1149","","","","","","0.999","","","","has coordinates","160462","2020-10-21","18:00:00",""
"1534111","9.9179","0.0015","5.7432","0.0007","14.186","0.002","90","","95.817","0.009","90","","803.88","0.19","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","CBT-V-255-01","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.1043","0.0448","","","0.0803","0.096","","","","","","1","","","","has coordinates,has disorder","160463","2020-10-21","18:00:00",""
"1534112","11.3632","0.0014","11.802","0.0015","15.831","0.002","90","","109.817","0.002","90","","1997.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Qiao, Baokun; Huang, Yin-Jun; Nie, Jing; Ma, Jun-An","Highly Regio-, Diastereo-, and Enantioselective Mannich Reaction of Allylic Ketones and Cyclic Ketimines: Access to Chiral Benzosultam.","Organic letters","2015","17","18","4608","4611","10.1021/acs.orglett.5b02351","","","0.71073","MoKα","","0.0436","0.0376","","","0.0993","0.1041","","","","","","1.03","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1534113","11.7071","0.001","15.8544","0.0013","9.4636","0.0007","90","","113.637","0.01","90","","1609.2","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Luo, Jing; Chen, Wenteng; Yu, Yongping","Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles.","Organic letters","2015","17","18","4502","4505","10.1021/acs.orglett.5b02180","","","0.71073","MoKα","","0.0673","0.0462","","","0.114","0.1275","","","","","","1.023","","","","has coordinates","160465","2020-10-21","18:00:00",""
"1534114","6.9191","0.0002","16.135","0.0005","14.3518","0.0006","90","","104.515","0.003","90","","1551.09","0.09","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","","Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Luo, Jing; Chen, Wenteng; Yu, Yongping","Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles.","Organic letters","2015","17","18","4502","4505","10.1021/acs.orglett.5b02180","","","1.54184","CuKα","","0.0632","0.0503","","","0.1418","0.1554","","","","","","1.049","","","","has coordinates","160466","2020-10-21","18:00:00",""
"1534115","16.9438","0.0002","7.2054","0.0001","21.3218","0.0003","90","","95.864","0.001","90","","2589.49","0.06","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N3 O2 -","- C33 H25 N3 O2 -","- C132 H100 N12 O8 -","4","1","","Peng, Jing; Ran, Guang-Yao; Du, Wei; Chen, Ying-Chun","Divergent Cyclization Reactions of Morita-Baylis-Hillman Carbonates of 2-Cyclohexenone and Isatylidene Malononitriles.","Organic letters","2015","17","18","4490","4493","10.1021/acs.orglett.5b02157","","","1.54184","CuKα","","0.0435","0.0403","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","160467","2020-10-21","18:00:00",""
"1534116","7.3218","0.0003","32.2827","0.0012","11.6678","0.0004","90","","91.975","0.003","90","","2756.25","0.18","290","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N4 O4 -","- C27 H20 N4 O4 -","- C108 H80 N16 O16 -","4","1","","Peng, Jing; Ran, Guang-Yao; Du, Wei; Chen, Ying-Chun","Divergent Cyclization Reactions of Morita-Baylis-Hillman Carbonates of 2-Cyclohexenone and Isatylidene Malononitriles.","Organic letters","2015","17","18","4490","4493","10.1021/acs.orglett.5b02157","","","1.54184","CuKα","","0.082","0.0589","","","0.1524","0.1687","","","","","","1.072","","","","has coordinates","160468","2020-10-21","18:00:00",""
"1534117","22.1268","0.0006","5.3611","0.0001","16.7753","0.0004","90","","101.52","0.0009","90","","1949.86","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O2 -","- C21 H19 F3 N4 O2 -","- C84 H76 F12 N16 O8 -","4","1","","Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A","Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines.","Organic letters","2015","17","18","4568","4571","10.1021/acs.orglett.5b02290","","","1.54178","CuKα","","0.0385","0.0376","","","0.1011","0.1023","","","","","","1.027","","","","has coordinates","160469","2020-10-21","18:00:00",""
"1534118","16.6564","0.0006","5.4719","0.0002","39.3699","0.0015","90","","90","","90","","3588.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 F3 N3 O2 -","- C20 H18 F3 N3 O2 -","- C160 H144 F24 N24 O16 -","8","2","","Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A","Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines.","Organic letters","2015","17","18","4568","4571","10.1021/acs.orglett.5b02290","","","1.54178","CuKα","","0.0867","0.0719","","","0.1785","0.1912","","","","","","1.039","","","","has coordinates","160470","2020-10-21","18:00:00",""
"1534119","11.4428","0.0007","15.4354","0.0009","24.3994","0.0015","90","","90","","90","","4309.5","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H45 N2 O8 -","- C53 H45 N2 O8 -","- C212 H180 N8 O32 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1268","0.056","","","0.121","0.1458","","","","","","0.986","","","","has coordinates","160471","2020-10-21","18:00:00",""
"1534120","14.958","0.002","25.526","0.004","11.093","0.002","90","","90","","90","","4235.5","1.2","296","2","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N4 O9 -","- C48 H52 N4 O9 -","- C192 H208 N16 O36 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2581","0.0681","","","0.1272","0.1914","","","","","","0.898","","","","has coordinates","160472","2020-10-21","18:00:00",""
"1534121","35.02","0.004","16.0741","0.0018","20.002","0.003","90","","111.769","0.007","90","","10456","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 I2 N4 O8 -","- C45 H42 I2 N4 O8 -","- C360 H336 I16 N32 O64 -","8","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2643","0.0822","","","0.2268","0.3508","","","","","","0.835","","","","has coordinates","160473","2020-10-21","18:00:00",""
"1534122","20.0623","0.0018","15.4284","0.0014","19.2848","0.0017","90","","120.843","0.005","90","","5125","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H63 N6 O8 -","- C59 H62 N6 O8 -","- C236 H248 N24 O32 -","4","0.5","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1188","0.0507","","","0.1179","0.1471","","","","","","0.966","","","","has coordinates","160474","2020-10-21","18:00:00",""
"1534123","13.787","0.002","14.6","0.003","24.867","0.004","90","","105.219","0.011","90","","4829.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 N4 O8 -","- C47 H48 N4 O8 -","- C188 H192 N16 O32 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2199","0.0708","","","0.1777","0.2478","","","","","","0.898","","","","has coordinates","160475","2020-10-21","18:00:00",""
"1534124","13.203","0.003","13.977","0.003","14.658","0.003","90.494","0.013","100.476","0.013","113.249","0.013","2434.2","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 Cl6 N4 O8 -","- C49 H50 Cl6 N4 O8 -","- C98 H100 Cl12 N8 O16 -","2","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2899","0.0974","","","0.2499","0.3544","","","","","","0.934","","","","has coordinates,has disorder","160476","2020-10-21","18:00:00",""
"1534125","12.2439","0.0017","13.8398","0.0016","14.5323","0.0018","91.544","0.009","97.532","0.009","110.103","0.009","2285.7","0.5","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H44 N4 O8 -","- C45 H44 N4 O8 -","- C90 H88 N8 O16 -","2","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1801","0.0676","","","0.1804","0.2348","","","","","","0.922","","","","has coordinates","160477","2020-10-21","18:00:00",""
"1534135","12.2117","0.0003","18.0562","0.0006","18.2926","0.0006","90","","103.741","0.002","90","","3918","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","Lummiss, Justin A. M.; Higman, Carolyn S.; Fyson, Devon L.; McDonald, Robert; Fogg, Deryn E.","The divergent effects of strong NHC donation in catalysis","Chem. Sci.","2015","6","12","6739","","10.1039/C5SC02592C","","","1.54178","CuKα","","0.1068","0.0517","","","0.1084","0.133","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534136","19.39657","0.00015","15.07422","0.00012","10.4257","0.00008","90","","98.9955","0.0007","90","","3010.86","0.04","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N O -","- C39 H35 N O -","- C156 H140 N4 O4 -","4","1","","Deng, Haiqin; He, Zikai; Lam, Jacky W. Y.; Tang, Ben Zhong","Regio- and stereoselective construction of stimuli-responsive macromolecules by a sequential coupling-hydroamination polymerization route","Polym. Chem.","2015","6","48","8297","","10.1039/C5PY01424G","","x-ray","1.5418","CuKα","","0.0347","0.0314","","","0.0759","0.0778","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534348","33.5582","0.0015","7.4109","0.0003","14.7554","0.0007","90","","97.8284","0.0018","90","","3635.4","0.3","123","","123","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0349","0.0347","","0.0333","0.0323","0.0322","","","","","","0.9679","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534351","11.4458","0.0002","11.4458","0.0002","27.7551","0.0005","90","","90","","120","","3148.95","0.1","293","2","293","2","","","","","","","","5","P 65","P 65","170","","Boc-L-Cys(Me)-L-Leu-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0468","0.0403","","","0.104","0.1083","","","","","","1.042","","","","has coordinates","176211","2020-10-21","18:00:00",""
"1534352","5.08911","0.00007","12.09583","0.00013","32.4406","0.0004","90","","90","","90","","1996.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Boc-L-Leu-L-Cys(Me)-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0406","0.0391","","","0.1077","0.1091","","","","","","1.035","","","","has coordinates,has disorder","176211","2020-10-21","18:00:00",""
"1534401","10.036","0.002","14.855","0.003","18.895","0.004","73.62","0.03","76.36","0.03","87.09","0.03","2626","1.1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H57 Cl F19 N7 O5 P3 Ru -","- C38 H57 Cl F19 N7 O5 P3 Ru -","- C76 H114 Cl2 F38 N14 O10 P6 Ru2 -","2","1","","Du, Jun; Zhang, Erlong; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Luo, Qun; Wu, Kui; Wang, Fuyi","Discovery of a dual-targeting organometallic ruthenium complex with high activity inducing early stage apoptosis of cancer cells.","Metallomics : integrated biometal science","2015","7","12","1573","1583","10.1039/c5mt00122f","","","0.71073","MoKα","","0.0986","0.084","","","0.1707","0.1833","","","","","","1.12","","","","has coordinates,has disorder","171293","2020-10-21","18:00:00",""
"1538419","9.7566","0.0002","19.1985","0.0004","27.6028","0.0005","90","","90","","90","","5170.34","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Br2 Cl O6 -","- C24.5 H27 Br2 Cl O6 -","- C196 H216 Br16 Cl8 O48 -","8","2","","Hans, Marcus; Charpentier, Maël; Huch, Volker; Jauch, Johann; Bruhn, Torsten; Bringmann, Gerhard; Quandt, Dietmar","Stereoisomeric Composition of Natural Myrtucommulone A.","Journal of natural products","2015","78","10","2381","2389","10.1021/acs.jnatprod.5b00358","","","0.71073","MoKα","","0.0487","0.0436","","","0.1275","0.1305","","","","","","1.097","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1538420","6.4479","0.001","40.961","0.005","17.888","0.003","90","","91.687","0.008","90","","4722.4","1.2","122","2","122","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-((12R,14R)-6-isobutyryl-12,14-diisopropyl-2.2.4.4.8.8.10,10-octamethyl- 1,3,9,11-teraoxo-1,2,3,4,8,9,10,11,12,14-decahydrochromeno[3,2-b]xanthen-13-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","","- C48 H55 F3 O10 -","- C48 H55 F3 O10 -","- C192 H220 F12 O40 -","4","2","","Hans, Marcus; Charpentier, Maël; Huch, Volker; Jauch, Johann; Bruhn, Torsten; Bringmann, Gerhard; Quandt, Dietmar","Stereoisomeric Composition of Natural Myrtucommulone A.","Journal of natural products","2015","78","10","2381","2389","10.1021/acs.jnatprod.5b00358","","","0.71073","MoKα","","0.1333","0.0915","","","0.1989","0.2133","","","","","","1.23","","","","has coordinates,has disorder","255422","2020-10-21","18:00:00",""
"1539135","16.571","0.0018","5.5448","0.0005","20.45","0.002","90","","111.604","0.013","90","","1747","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C80 H60 Cl4 N8 O12 -","4","1","","Li, Danyang; Yu, Ming; Zhang, Jitan; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Benzyl Esters via Functionalization of Multiple C-H Bonds by Palladium Catalysis.","Organic letters","2015","17","21","5300","5303","10.1021/acs.orglett.5b02518","","","0.71073","MoKα","","0.0731","0.0432","","","0.1047","0.1251","","","","","","1.002","","","","has coordinates","170829","2020-10-21","18:00:00",""
"1540018","18.3085","0.0013","9.0788","0.0008","19.6464","0.0019","90","","97.068","0.008","90","","3240.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Dy2 N2 O17 -","- C24 H20 Dy2 N2 O17 -","- C96 H80 Dy8 N8 O68 -","4","0.5","","Liu, Ke; Li, Huanhuan; Zhang, Xuejing; Shi, Wei; Cheng, Peng","Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal-Organic Frameworks: Approach toward a Single-Molecule Magnet.","Inorganic chemistry","2015","54","21","10224","10231","10.1021/acs.inorgchem.5b01356","","","0.71073","MoKα","","0.0581","0.0422","","","0.0844","0.092","","","","","","0.996","","","","has coordinates","288244","2023-12-12","10:07:31",""
"1540019","18.465","0.005","9.2442","0.0014","19.699","0.005","90","","102.18","0.03","90","","3286.8","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Dy2 N2 O19 -","- C26 H28 Dy2 N2 O19 -","- C104 H112 Dy8 N8 O76 -","4","0.5","","Liu, Ke; Li, Huanhuan; Zhang, Xuejing; Shi, Wei; Cheng, Peng","Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal-Organic Frameworks: Approach toward a Single-Molecule Magnet.","Inorganic chemistry","2015","54","21","10224","10231","10.1021/acs.inorgchem.5b01356","","","0.71073","MoKα","","0.0974","0.0705","","","0.1792","0.1965","","","","","","1.145","","","","has coordinates","288247","2023-12-12","11:04:25",""
"1540020","8.6326","0.0003","28.1206","0.001","15.3462","0.0005","90","","90","","90","","3725.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H20 Dy2 N2 O17 -","- C24 H20 Dy2 N2 O17 -","- C96 H80 Dy8 N8 O68 -","4","0.5","","Liu, Ke; Li, Huanhuan; Zhang, Xuejing; Shi, Wei; Cheng, Peng","Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal-Organic Frameworks: Approach toward a Single-Molecule Magnet.","Inorganic chemistry","2015","54","21","10224","10231","10.1021/acs.inorgchem.5b01356","","","0.71073","MoKα","","0.0568","0.0442","","","0.1404","0.1507","","","","","","1.019","","","","has coordinates","288244","2023-12-12","10:07:31",""
"1540021","8.7303","0.0003","9.7841","0.0003","15.4342","0.0005","90","","91.525","0.001","90","","1317.89","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 B F4 N O2 Ru -","- C10 H12 B F4 N O2 Ru -","- C40 H48 B4 F16 N4 O8 Ru4 -","4","1","","Nyawade, Eunice A.; Friedrich, Holger B.; Omondi, Bernard; Mpungose, Philani","Synthesis and Characterization of New (η5-Cyclopentadienyl)dicarbonylruthenium(II) Amine Complexes: Their Application as Homogeneous Catalysts in Styrene Oxidation","Organometallics","2015","34","20","4922","","10.1021/acs.organomet.5b00564","","","0.71073","MoKα","","0.0223","0.0195","","","0.0455","0.0475","","","","","","1.05","","","","has coordinates","170098","2020-10-21","18:00:00",""
"1540022","10.4488","0.0003","9.7788","0.0004","31.7901","0.0011","90","","99.236","0.001","90","","3206.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B F4 N O2 Ru -","- C14 H14 B F4 N O2 Ru -","- C112 H112 B8 F32 N8 O16 Ru8 -","8","2","","Nyawade, Eunice A.; Friedrich, Holger B.; Omondi, Bernard; Mpungose, Philani","Synthesis and Characterization of New (η5-Cyclopentadienyl)dicarbonylruthenium(II) Amine Complexes: Their Application as Homogeneous Catalysts in Styrene Oxidation","Organometallics","2015","34","20","4922","","10.1021/acs.organomet.5b00564","","","0.71073","MoKα","","0.0259","0.0238","","","0.0546","0.0557","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540024","13.8641","0.0015","14.5627","0.0019","15.19","0.002","96.519","0.011","113.081","0.01","109.85","0.009","2543.6","0.7","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 Cl2 Eu N12 O16 Zn -","- C42 H49 Cl2 Eu N12 O16 Zn -","- C84 H98 Cl4 Eu2 N24 O32 Zn2 -","2","1","","Anastasiadis, Nikolaos C.; Polyzou, Christina D.; Kostakis, George E.; Bekiari, Vlasoula; Lan, Yanhua; Perlepes, Spyros P.; Konidaris, Konstantis F.; Powell, Annie K.","Dinuclear lanthanide(iii)/zinc(ii) complexes with methyl 2-pyridyl ketone oxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19791","19795","10.1039/c5dt03663a","","","0.71073","MoKα","","0.1485","0.0606","","","0.1164","0.1448","","","","","","0.828","","","","has coordinates","171113","2020-10-21","18:00:00",""
"1540025","15.9387","0.0011","9.3158","0.0004","22.5168","0.0017","90","","94.59","0.006","90","","3332.6","0.4","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Dy N10 O10 Zn -","- C28 H29 Dy N10 O10 Zn -","- C112 H116 Dy4 N40 O40 Zn4 -","4","1","","Anastasiadis, Nikolaos C.; Polyzou, Christina D.; Kostakis, George E.; Bekiari, Vlasoula; Lan, Yanhua; Perlepes, Spyros P.; Konidaris, Konstantis F.; Powell, Annie K.","Dinuclear lanthanide(iii)/zinc(ii) complexes with methyl 2-pyridyl ketone oxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19791","19795","10.1039/c5dt03663a","","","0.71073","MoKα","","0.0193","0.0191","","","0.048","0.048","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540029","12.3691","0.0011","13.9416","0.0013","13.8663","0.0013","90","","100.45","0.002","90","","2351.5","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HPC3","","","- C28 H20 Cu O7 -","- C28 H20 Cu O7 -","- C112 H80 Cu4 O28 -","4","1","","Jochyms, Quentin; Guillot, Pierre; Mignard, Emmanuel; Vincent, Jean-Marc","A fluorosurfactant and photoreducible Cu(II)-tren click catalyst: surfactant and catalytic properties at liquid/liquid interfaces.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19700","19707","10.1039/c5dt02039e","","","0.71073","MoKα","","0.0337","0.0268","","","0.071","0.0746","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540030","9.931","0.0004","10.841","0.0004","14.4817","0.0006","82.775","0.003","71.167","0.004","74.627","0.003","1421.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Dy2 N14 O24 -","- C46 H58 Dy2 N14 O24 -","- C46 H58 Dy2 N14 O24 -","1","0.5","","Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng","Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19758","19762","10.1039/c5dt02899j","","","0.71073","MoKα","","0.0479","0.0362","","","0.0683","0.0726","","","","","","1.009","","","","has coordinates","171128","2020-10-21","18:00:00",""
"1540031","34.8579","0.0012","24.5497","0.0009","24.2872","0.0009","90","","120.453","0.003","90","","17916.6","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 Dy9 N24 O46 -","- C80 H92 Dy9 N24 O46 -","- C320 H368 Dy36 N96 O184 -","4","0.5","","Kuo, Che-Jung; Holmberg, Rebecca J.; Lin, Po-Heng","Slight synthetic changes eliciting different topologies: synthesis, structure and magnetic properties of novel dinuclear and nonanuclear dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19758","19762","10.1039/c5dt02899j","","","0.71073","MoKα","","0.1063","0.0648","","","0.1511","0.1705","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540032","10.9593","0.0012","13.8454","0.0015","17.4039","0.0019","109.186","0.007","90.177","0.007","108.009","0.007","2355.8","0.5","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H63 Cl2 Cu2 N4 O19 Zn2 -","- C28.5 H63 Cl2 Cu2 N4 O19 Zn2 -","- C57 H126 Cl4 Cu4 N8 O38 Zn4 -","2","1","","Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark","Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19275","19281","10.1039/c5dt03344f","","","0.71073","MoKα","","0.2216","0.1284","","","0.3062","0.3782","","","","","","1.02","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1540033","26.5574","0.0019","26.5574","0.0019","13.1186","0.001","90","","90","","90","","9252.5","1.2","100","","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C88 H232 Cl8 Cu8 N16 O96 Zn8 -","- C88 H232 Cl8 Cu8 N16 O96 Zn8 -","- C176 H464 Cl16 Cu16 N32 O192 Zn16 -","2","","","Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark","Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19275","19281","10.1039/c5dt03344f","","","0.71075","MoKα","","0.1522","0.09","","","0.2302","0.2549","","","","","","1.042","","","","has coordinates,has disorder","198667","2020-10-21","18:00:00",""
"1540373","20.4242","0.0004","25.5132","0.0004","32.3262","0.0007","90","","105.672","0.001","90","","16218.5","0.5","90","0.5","90","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C135 H42 Cl3 O2 -","- C126 H36 O2 -","- C1008 H288 O16 -","8","1","","Abeyratne Kuragama, Peumie L.; Fronczek, Frank R.; Sygula, Andrzej","Bis-corannulene Receptors for Fullerenes Based on Klärner's Tethers: Reaching the Affinity Limits.","Organic letters","2015","17","21","5292","5295","10.1021/acs.orglett.5b02666","","","1.54184","CuKα","","0.0692","0.0589","","","0.1515","0.1574","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540374","6.2372","0.0009","11.1508","0.0016","28.596","0.004","90","","90","","90","","1988.8","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C64 H104 N8 O24 S4 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1194","0.0509","","","0.1157","0.1467","","","","","","0.976","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540375","6.282","0.002","9.924","0.004","24.859","0.01","90","","90","","90","","1549.8","1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C52 H84 N4 O24 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1392","0.0587","","","0.1363","0.1637","","","","","","0.958","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540376","10.248","0.002","9.553","0.002","11.932","0.003","90","","99.477","0.004","90","","1152.2","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C32 H54 N2 O16 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0776","0.0524","","","0.1165","0.1261","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540377","10.375","0.0011","17.5559","0.0019","10.8576","0.0012","90","","95.023","0.002","90","","1970","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0564","0.0411","","","0.1002","0.1085","","","","","","1.02","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540378","11.0948","0.0013","6.112","0.0007","15.1863","0.0018","90","","92.704","0.002","90","","1028.7","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C38 H48 N4 O12 S2 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.048","0.0459","","","0.1208","0.1229","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540379","9.6081","0.0009","10.7346","0.001","20.0544","0.0018","90","","91.493","0.001","90","","2067.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0462","0.0396","","","0.1067","0.1113","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540380","24.9951","0.0016","18.5586","0.0012","51.826","0.005","90","","90.478","0.001","90","","24040","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H153 Ag3 Au15 O2 S14 -","- C84 H161 Ag3 Au15 O4 S14 -","- C672 H1288 Ag24 Au120 O32 S112 -","8","1","","Xiang, Ji; Li, Peng; Song, Yongbo; Liu, Xia; Chong, Hanbao; Jin, Shan; Pei, Yong; Yuan, Xiaoyou; Zhu, Manzhou","X-Ray crystal structure, and optical and electrochemical properties of the Au15Ag3(SC6H11)14 nanocluster with a core-shell structure.","Nanoscale","2015","7","43","18278","18283","10.1039/c5nr05131b","","","0.71073","MoKα","","0.1948","0.1342","","","0.2506","0.2715","","","","","","1.071","","","","has coordinates","171294","2020-10-21","18:00:00",""
"1540381","14.4536","0.0005","9.9877","0.0003","14.7366","0.0006","90","","101.065","0.001","90","","2087.8","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","py3trenCoNiCl","","","- C21 H24 Cl Co N7 Ni -","- C21 H24 Cl Co1.011 N7 Ni1.011 -","- C84 H96 Cl4 Co4.044 N28 Ni4.044 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.41328","synchrotron","","0.2438","0.2094","","","0.4785","0.4978","","","","","","1.642","","","","has coordinates","170775","2020-10-21","18:00:00",""
"1540382","12.35","0.0004","19.4587","0.0006","19.7453","0.0006","113.034","0.0014","95.547","0.0014","101.183","0.0015","4204.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","L1TiFe","","","- C41 H64 Fe N4 O0.5 P3 Ti -","- C41 H64 Fe N4 O0.5 P3 Ti -","- C164 H256 Fe4 N16 O2 P12 Ti4 -","4","2","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0724","0.0523","","","0.1355","0.1483","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540383","12.5471","0.0003","14.0969","0.0004","24.6228","0.0007","91.787","0.001","98.742","0.001","94.687","0.001","4286","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","L1TiNi","","","- C43 H68 N4 Ni O P3 Ti -","- C43 H68 N4 Ni O P3 Ti -","- C172 H272 N16 Ni4 O4 P12 Ti4 -","4","2","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0812","0.0566","","","0.1324","0.1473","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540384","17.8979","0.0004","14.3708","0.0004","26.8674","0.0007","90","","99.446","0.001","90","","6816.8","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[CoCrL][BPh4]","","","- C69 H91 B Co Cr N5 O P3 -","- C69 H91 B Co Cr N5 O P3 -","- C276 H364 B4 Co4 Cr4 N20 O4 P12 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0845","0.0608","","","0.16","0.173","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540385","12.4121","0.0008","12.4121","0.0008","57.067","0.004","90","","90","","120","","7613.9","0.9","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","[NiCr][BF4]","","","- C39 H60 B Cr F4 N4 Ni P3 -","- C39 H60 B Cr F4 N4 Ni P3 -","- C234 H360 B6 Cr6 F24 N24 Ni6 P18 -","6","0.333333","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.71073","MoKα","","0.0518","0.0359","","","0.085","0.0898","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540386","14.4978","0.0013","10.0084","0.0009","14.7758","0.0014","90","","100.944","0.001","90","","2105","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoNiCl","","","- C21 H24 Cl Co N7 Ni -","- C21 H24 Cl Co N7 Ni -","- C84 H96 Cl4 Co4 N28 Ni4 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.71073","MoKα","","0.0722","0.04","","","0.0798","0.093","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540387","36.71","0.02","36.71","0.02","15.414","0.009","90","","90","","90","","20772","2","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H196 Cu6 Li4 Mn4 N12 O104 -","- C78 H60 Cu6 Li4 Mn4 N12 O40 -","- C312 H240 Cu24 Li16 Mn16 N48 O160 -","4","0.25","","Grancha, Thais; Acosta, Alvaro; Cano, Joan; Ferrando-Soria, Jesús; Seoane, Beatriz; Gascon, Jorge; Pasán, Jorge; Armentano, Donatella; Pardo, Emilio","Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties.","Inorganic chemistry","2015","54","22","10834","10840","10.1021/acs.inorgchem.5b01854","","","0.71073","MoKα","","0.2479","0.2077","","","0.478","0.5","","","","","","1.674","","","","has coordinates","170784","2020-10-21","18:00:00",""
"1540388","37.492","0.008","37.492","0.008","15.557","0.003","90","","90","","90","","21868","8","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H198 Cu6 K4 Mn4 N12 O105 -","- C78 H60 Cu6 K4 Mn4 N12 O55 -","- C312 H240 Cu24 K16 Mn16 N48 O220 -","4","0.25","","Grancha, Thais; Acosta, Alvaro; Cano, Joan; Ferrando-Soria, Jesús; Seoane, Beatriz; Gascon, Jorge; Pasán, Jorge; Armentano, Donatella; Pardo, Emilio","Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties.","Inorganic chemistry","2015","54","22","10834","10840","10.1021/acs.inorgchem.5b01854","","","0.71073","MoKα","","0.2687","0.1699","","","0.3668","0.3939","","","","","","1.525","","","","has coordinates","170784","2020-10-21","18:00:00",""
"1540389","15.929","0.003","10.828","0.002","13.718","0.003","90","","91.62","0.03","90","","2365.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F2 N3 Na O7 S -","- C19 H24 F2 N3 Na O7 S -","- C76 H96 F8 N12 Na4 O28 S4 -","4","1","","Jiang, Chen; Wang, Yongli; Yan, Jiaqi; Yang, Jingxiang; Xiao, Liping; Hao, Hongxun","Formation Mechanism and Phase Transformation Behaviors of Pantoprazole Sodium Heterosolvate","Organic Process Research & Development","2015","19","11","1752","","10.1021/acs.oprd.5b00243","","","0.71073","MoKα","","0.0918","0.059","","","0.1591","0.1808","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540392","5.674","0.001","7.086","0.002","9.745","0.002","90","","90","","90","","391.81","0.15","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate (1.9/0.1/1) - Alpha","","- Ba0.1 O4 Si Sr1.9 -","- Ba0.1 O4 Si Sr1.9 -","- Ba0.4 O16 Si4 Sr7.6 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540393","5.6796","0.0004","7.1386","0.0006","9.7639","0.0001","90","","90","","90","","395.87","0.04","300","2","295","1","","","","","","","","5","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate Oxynitride","","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.6 N4 O16 Si4 Sr11.4 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","0.71073","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540394","8.7379","0.0007","9.957","0.0003","13.2391","0.0009","104.609","0.004","96.252","0.007","107.11","0.003","1044.19","0.12","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 B Mo N6 O2 P3 -","- C17 H16 B Mo N6 O2 P3 -","- C34 H32 B2 Mo2 N12 O4 P6 -","2","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0255","0.0221","","","0.0538","0.0565","","","","","","1.095","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540395","10.981","0.0006","13.5289","0.0012","15.9001","0.001","91.94","0.005","99.962","0.004","111.752","0.005","2148.4","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 B2 Fe N12 P6 -","- C38 H38 B2 Fe N12 P6 -","- C76 H76 B4 Fe2 N24 P12 -","2","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0579","0.0398","","","0.0854","0.097","","","","","","1.135","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540396","14.048","0.0007","14.097","0.0003","14.1551","0.0012","66.977","0.003","61.712","0.004","61.256","0.003","2115.4","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H34 B2 Cd N12 P6 -","- C31 H30 B2 Cd N12 P6 -","- C62 H60 B4 Cd2 N24 P12 -","2","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0429","0.0302","","","0.0714","0.0821","","","","","","1.104","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540397","11.132","0.0005","13.749","0.001","15.6951","0.0014","90.726","0.006","99.272","0.004","112.266","0.005","2186.9","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 B2 Co N12 P6 -","- C38 H38 B2 Co N12 P6 -","- C76 H76 B4 Co2 N24 P12 -","2","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0814","0.0673","","","0.175","0.1864","","","","","","1.106","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540398","11.091","0.0005","13.6971","0.001","15.735","0.0009","90.977","0.006","99.368","0.004","112.091","0.005","2177.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 B2 N12 Ni P6 -","- C38 H38 B2 N12 Ni P6 -","- C76 H76 B4 N24 Ni2 P12 -","2","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0736","0.0474","","","0.091","0.1045","","","","","","1.135","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540399","11.2374","0.0005","17.1902","0.0003","24.3814","0.0006","90","","97.463","0.005","90","","4669.9","0.3","150","1","150","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 B3 Cl6 Co F4 N12 P6 -","- C32 H30 B3 Cl6 Co F4 N12 P6 -","- C128 H120 B12 Cl24 Co4 F16 N48 P24 -","4","0.5","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.108","0.0866","","","0.2217","0.2439","","","","","","1.077","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540400","9.144","0.0004","10.3091","0.0008","17.5949","0.0008","90","","90","","90","","1658.61","0.17","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H11 B N6 P3 Tl -","- C12 H11 B N6 P3 Tl -","- C48 H44 B4 N24 P12 Tl4 -","4","0.5","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0279","0.0208","","","0.0437","0.0464","","","","","","1.118","","","","has coordinates","171107","2020-10-21","18:00:00",""
"1540401","8.281","0.0004","10.292","0.0003","11.4621","0.001","90","","102.607","0.005","90","","953.34","0.1","150","1","150","1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 B Cl3 N6 P3 Ti -","- C12 H11 B Cl3 N6 P3 Ti -","- C24 H22 B2 Cl6 N12 P6 Ti2 -","2","0.5","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0546","0.0572","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540402","16.962","0.0009","10.482","0.0007","24.6311","0.0014","90","","112.579","0.005","90","","4043.6","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 B Mn N6 O3 P3 -","- C15 H11 B Mn N6 O3 P3 -","- C120 H88 B8 Mn8 N48 O24 P24 -","8","2","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0717","0.0407","","","0.0825","0.1062","","","","","","1.174","","","","has coordinates,has disorder","171107","2020-10-21","18:00:00",""
"1540403","9.404","0.0016","15.931","0.004","16.528","0.006","90","","100.27","0.02","90","","2436.5","1.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B N7 P3 Pd -","- C21 H23 B N7 P3 Pd -","- C84 H92 B4 N28 P12 Pd4 -","4","1","","Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan","The first scorpionate ligand based on diazaphosphole.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20242","20253","10.1039/c5dt03589a","","","0.71073","MoKα","","0.0354","0.024","","","0.0545","0.0641","","","","","","1.142","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540404","12.3344","0.0008","14.2954","0.0009","15.4511","0.0005","95.631","0.004","107.583","0.004","108.242","0.006","2410.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N14 O -","- C22 H16 Cu N14 O -","- C88 H64 Cu4 N56 O4 -","4","2","","Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman","Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20154","20167","10.1039/c5dt01471a","","","0.71073","MoKα","","0.0593","0.0442","","","0.1054","0.1198","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540405","11.9248","0.001","11.9276","0.0012","13.4576","0.0011","71.6","0.008","68.381","0.008","70.668","0.008","1637.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cu N12 O3.5 -","- C29 H19 Cu N12 O1.5 -","- C58 H38 Cu2 N24 O3 -","2","1","","Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman","Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20154","20167","10.1039/c5dt01471a","","","1.54184","CuKα","","0.0963","0.0909","","","0.2831","0.2987","","","","","","1.254","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1540406","13.071","0.003","12.139","0.002","21.735","0.004","90","","106.84","0.03","90","","3300.8","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","NiGdCr","","- C24.65 H18 Cr Gd N8 Ni O10.65 -","- C24.651 H18 Cr Gd N8 Ni O10.651 -","- C98.604 H72 Cr4 Gd4 N32 Ni4 O42.604 -","4","1","","Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping","Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20193","20199","10.1039/c5dt03620h","","","0.71073","MoKα","","0.0607","0.0497","","","0.0985","0.105","","","","","","1.085","","","","has coordinates","171132","2020-10-21","18:00:00",""
"1540407","13.051","0.003","12.15","0.002","21.711","0.004","90","","106.89","0.03","90","","3294.2","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","NiTbCr","","- C24.63 H20.52 Cr N8 Ni O10.63 Tb -","- C24.63 H20.52 Cr N8 Ni O10.63 Tb -","- C98.52 H82.08 Cr4 N32 Ni4 O42.52 Tb4 -","4","1","","Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping","Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20193","20199","10.1039/c5dt03620h","","","0.71073","MoKα","","0.0409","0.0355","","","0.0805","0.084","","","","","","1.071","","","","has coordinates","171132","2020-10-21","18:00:00",""
"1540408","12.861","0.003","12.014","0.002","21.577","0.004","90","","106.73","0.03","90","","3192.8","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Fe N8 Ni O11 Tb -","- C25 H18 Fe N8 Ni O11 Tb -","- C100 H72 Fe4 N32 Ni4 O44 Tb4 -","4","1","","Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping","Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20193","20199","10.1039/c5dt03620h","","","0.71073","MoKα","","0.0364","0.0323","","","0.0786","0.0822","","","","","","1.053","","","","has coordinates","171132","2020-10-21","18:00:00",""
"1540409","12.862","0.003","12.012","0.002","21.58","0.004","90","","106.72","0.03","90","","3193.1","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe Gd N8 Ni O11 -","- C24 H18 Fe Gd N8 Ni O11 -","- C96 H72 Fe4 Gd4 N32 Ni4 O44 -","4","1","","Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping","Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20193","20199","10.1039/c5dt03620h","","","0.71073","MoKα","","0.0397","0.0338","","","0.0787","0.0823","","","","","","1.058","","","","has coordinates","171132","2020-10-21","18:00:00",""
"1540410","15.5132","0.0016","20.762","0.002","24.831","0.003","106.288","0.004","103.085","0.005","105.827","0.004","6977.1","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H120 Gd7 N11 O24 -","- C142 H120 Gd7 N11 O24 -","- C284 H240 Gd14 N22 O48 -","2","1","","Mazarakioti, Eleni C.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","New structural topologies in 4f-metal cluster chemistry from vertex-sharing butterfly units: {LnIII7} complexes exhibiting slow magnetization relaxation and ligand-centred emissions","RSC Advances","2015","5","112","92534","92538","10.1039/C5RA20454B","","","0.71073","MoKα","","0.0864","0.0652","","","0.1398","0.1489","","","","","","1.06","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540411","9.7936","0.0007","10.0349","0.0004","10.3079","0.0006","110.403","0.005","101.163","0.006","102.888","0.005","883.8","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Dandia, Anshu; Sharma, Amit; Parewa, Vijay; Kumawat, Begraj; Rathore, Kuldeep S.; Sharma, Amit","Amidic C–N bond cleavage of isatin: chemoselective synthesis of pyrrolo[2,3,4- <i>kl</i> ]acridin-1-ones using Ag NPs decorated rGO composite as an efficient and recoverable catalyst under microwave irradiation","RSC Advances","2015","5","111","91888","91902","10.1039/C5RA11747J","","","0.71073","MoKα","","0.0494","0.0425","","","0.1143","0.1195","","","","","","1.081","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540412","8.7794","0.0003","14.6701","0.0004","37.5122","0.001","90","","90","","90","","4831.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 Se -","- C29 H24 N2 O2 Se -","- C232 H192 N16 O16 Se8 -","8","2","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0453","0.035","","","0.0679","0.0708","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540413","8.6504","0.0003","9.7776","0.0004","16.3783","0.0006","90","","98.688","0.002","90","","1369.38","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 Se -","- C31 H28 N2 O3 Se -","- C62 H56 N4 O6 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0392","0.0304","","","0.0683","0.073","","","","","","1.082","","","","has coordinates,has disorder","282777","2023-04-20","11:56:44",""
"1540414","11.244","0.002","7.6728","0.0014","12.837","0.002","90","","98.983","0.004","90","","1093.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S Se -","- C22 H23 Br N2 O2 S Se -","- C44 H46 Br2 N4 O4 S2 Se2 -","2","1","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0201","0.0177","","","0.0381","0.0386","","","","","","1.004","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540415","14.8679","0.0009","10.004","0.0006","18.5854","0.0011","90","","98.871","0.002","90","","2731.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N Se -","- C16 H15 N Se -","- C128 H120 N8 Se8 -","8","2","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0409","0.0272","","","0.0575","0.0615","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540425","6.8797","0.0009","17.32","0.002","26.023","0.003","90","","90","","90","","3100.8","0.6","295","","295","","","","","","","","","4","C 2 2 21","C 2c 2","20","","(R,E)-4-methyl-2-((4-methyl-5-oxo-2,5- dihydrofuran-2-yloxy)methylene-1,2-dihydrocyclopenta[b]indol-3(4H)-one'","","- C18 H14 N O4 -","- C18 H14 N O4 -","- C144 H112 N8 O32 -","8","1","","Artuso, Emma; Ghibaudi, Elena; Lace, Beatrice; Marabello, Domenica; Vinciguerra, Daniele; Lombardi, Chiara; Koltai, Hinanit; Kapulnik, Yoram; Novero, Mara; Occhiato, Ernesto G.; Scarpi, Dina; Parisotto, Stefano; Deagostino, Annamaria; Venturello, Paolo; Mayzlish-Gati, Einav; Bier, Ariel; Prandi, Cristina","Stereochemical Assignment of Strigolactone Analogues Confirms Their Selective Biological Activity.","Journal of natural products","2015","78","11","2624","2633","10.1021/acs.jnatprod.5b00557","","x-ray","1.54184","CuKα","","0.0774","0.0566","","","0.1472","0.1828","","","","","","1.093","","","","has coordinates","170804","2020-10-21","18:00:00",""
"1540426","7.0833","0.0001","13.9608","0.0001","31.0735","0.0003","90","","90","","90","","3072.81","0.06","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O15 -","- C32 H32 O15 -","- C128 H128 O60 -","4","1","","Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009.","Journal of natural products","2015","78","11","2691","2698","10.1021/acs.jnatprod.5b00636","","","1.54184","CuKα","","0.0389","0.0348","","","0.1008","0.1048","","","","","","1.044","","","","has coordinates","170805","2020-10-21","18:00:00",""
"1540465","10.5228","0.0003","10.5228","0.0003","52.456","0.004","90","","90","","90","","5808.4","0.5","193","2","193","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C28 H40 O8 -","- C28 H40 O8 -","- C224 H320 O64 -","8","1","","Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.","Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.","Journal of natural products","2015","78","11","2726","2730","10.1021/acs.jnatprod.5b00677","","","1.54187","CuKα","","0.0912","0.0633","","","0.1699","0.2145","","","","","","1.133","","","","has coordinates,has disorder","170808","2020-10-21","18:00:00",""
"1540466","18.4501","0.0008","18.4501","0.0008","9.9236","0.0007","90","","90","","120","","2925.5","0.3","193","2","193","2","","","","","","","","3","P 31","P 31","144","","(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1-acetoxy-10-hydroxy-9-(((E)-3- (4-hydroxyphenyl)acryloyl)oxy)-3-methoxy-7,8-dimethyl-7-(3-methylenepent -4-en-1-yl)-3,5,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-5-yl 4-methylpentanoate compound with propan-2-ol (2:1)","","- C38.5 H52 O10.5 -","- C38.5 H52 O10.5 -","- C115.5 H156 O31.5 -","3","1","","Nguyen, Ha T. T.; Truong, Ngan B.; Doan, Huong T. M.; Litaudon, Marc; Retailleau, Pascal; Do, Thao T.; Nguyen, Hung V.; Chau, Minh V.; Pham, Cuong V.","Cytotoxic Clerodane Diterpenoids from the Leaves of Casearia grewiifolia.","Journal of natural products","2015","78","11","2726","2730","10.1021/acs.jnatprod.5b00677","","","1.54187","CuKα","","0.0611","0.0475","","","0.1318","0.1611","","","","","","1.106","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540468","5.616","0.0008","13.1439","0.0019","22.937","0.002","90","","90","","90","","1693.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1018","0.0634","","","0.1317","0.1615","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540469","16.0499","0.0009","7.6796","0.0003","22.6554","0.0011","90","","90","","90","","2792.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br N -","- C16 H15 Br N -","- C128 H120 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","","","0.1402","0.0566","","","0.1161","0.1477","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540470","9.5118","0.0019","19.672","0.004","9.821","0.002","90","","91.45","0.03","90","","1837.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.0749","0.0458","","","0.1167","0.1326","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540471","17.503","0.004","8.0333","0.0016","21.133","0.004","90","","90","","90","","2971.4","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br N -","- C17 H18 Br N -","- C136 H144 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.2594","0.105","","","0.2872","0.3808","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540472","18.368","0.004","9.0221","0.0018","23.995","0.005","90","","102.82","0.03","90","","3877.3","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C184 H176 Br8 N8 O8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1604","0.0589","","","0.1008","0.1257","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540473","16.319","0.003","8.0724","0.0016","24.455","0.005","90","","90","","90","","3221.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.173","0.073","","","0.1453","0.182","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540474","5.7109","0.0015","12.738","0.003","28.186","0.005","90","","90.021","0.001","90","","2050.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Br N O -","- C24 H24 Br N O -","- C96 H96 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1661","0.0816","","","0.2197","0.276","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540475","6.1323","0.0003","7.4365","0.0004","33.4178","0.0017","90","","90","","90","","1523.95","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0441","0.0403","","","0.1114","0.115","","","","","","1.036","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540476","8.719","0.0008","5.6224","0.0006","17.2361","0.0012","90","","96.032","0.008","90","","840.26","0.13","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0534","0.0471","","","0.1243","0.1322","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540477","14.0792","0.0009","6.7979","0.0003","17.748","0.0008","90","","95.958","0.003","90","","1689.47","0.15","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0374","0.0359","","","0.1012","0.1029","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540478","7.3552","0.0002","13.6032","0.0004","17.2196","0.0005","90","","90","","90","","1722.89","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.051","0.0384","","","0.0885","0.0943","","","","","","1.038","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540479","5.9065","0.0003","7.9113","0.0003","32.9027","0.0014","90","","90","","90","","1537.48","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0444","0.0436","","","0.1316","0.1323","","","","","","1.091","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540480","6.0722","0.0002","8.115","0.0003","29.7039","0.001","90","","90","","90","","1463.69","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0304","0.0289","","","0.0817","0.0924","","","","","","1.159","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540481","9.4116","0.0003","15.8331","0.0005","24.7415","0.001","90","","90","","90","","3686.8","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","0.71073","MoKα","","0.0867","0.0476","","","0.1284","0.1384","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540482","8.5617","0.0002","5.5085","0.0001","17.2021","0.0005","90","","103.015","0.001","90","","790.45","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0291","0.0288","","","0.0739","0.0741","","","","","","1.039","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540483","9.9132","0.0008","7.0748","0.0006","11.5133","0.0011","90","","104.337","0.009","90","","782.32","0.12","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0371","0.0334","","","0.0834","0.0871","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540484","7.5426","0.0001","12.0156","0.0002","17.4134","0.0003","90","","90","","90","","1578.16","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0274","0.027","","","0.0692","0.0697","","","","","","1.045","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540490","7.6689","0.0005","10.2286","0.0006","22.608","0.0014","90","","90","","90","","1773.42","0.19","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0306","0.0304","","0.0292","0.0289","0.0292","","","","","","0.954","","","","has coordinates","170020","2020-10-21","18:00:00",""
"1540491","14.0499","0.0007","17.2599","0.0009","31.2403","0.0016","90","","90","","90","","7575.8","0.7","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C320 H512 O48 -","16","4","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0436","0.0424","","0.0413","0.0389","0.0378","","","","","","0.9664","","","","has coordinates","170021","2020-10-21","18:00:00",""
"1540501","12.757","0.006","19.268","0.009","6.503","0.003","90","","90","","90","","1598.4","1.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Strontium gallium arsenide (3/1/3)","Strontium gallium arsenide (3/1/3)","","- As3 Ga Sr3 -","- As3 Ga Sr3 -","- As24 Ga8 Sr24 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0506","0.0274","","","0.0371","0.0431","","","","","","1.047","","","","has coordinates","170120","2020-10-21","18:00:00",""
"1540502","19.854","0.003","6.8636","0.0009","13.2849","0.0017","90","","90","","90","","1810.3","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminium arsenide (3/1/3)","Barium aluminium arsenide (3/1/3)","","- Al As3 Ba3 -","- Al As3 Ba3 -","- Al8 As24 Ba24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0207","0.0168","","","0.035","0.0358","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540503","13.3589","0.001","19.9788","0.0015","6.8008","0.0005","90","","90","","90","","1815.1","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Barium gallium arsenide (3/1/3)","Barium gallium arsenide (3/1/3)","","- As3 Ba3 Ga -","- As3 Ba3 Ga -","- As24 Ba24 Ga8 -","8","1","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0205","0.0159","","","0.0296","0.0314","","","","","","1.114","","","","has coordinates","170122","2020-10-21","18:00:00",""
"1540504","19.3572","0.0014","6.7433","0.0005","12.9707","0.001","90","","90","","90","","1693.1","0.2","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Barium aluminum phosphide (3/1/3)","Barium aluminum phosphide (3/1/3)","","- Al Ba3 P3 -","- Al Ba3 P3 -","- Al8 Ba24 P24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0293","0.0227","","","0.0441","0.0463","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540505","18.787","0.003","6.3867","0.0012","12.403","0.002","90","","90","","90","","1488.2","0.4","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium gallium phosphide (3/1/3)","Strontium gallium phosphide (3/1/3)","","- Ga P3 Sr3 -","- Ga P3 Sr3 -","- Ga8 P24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.0886","0.0742","","","0.2392","0.2451","","","","","","1.789","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540506","19.149","0.002","6.5652","0.0008","12.6871","0.0015","90","","90","","90","","1595","0.3","200","2","200","2","","","","","","","","3","C m c e","-C 2ac 2","64","Strontium aluminium arsenide (3/1/3)","Strontium aluminium arsenide (3/1/3)","","- Al As3 Sr3 -","- Al As3 Sr3 -","- Al8 As24 Sr24 -","8","0.5","","Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen","Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)","Crystals","2015","5","4","433","","10.3390/cryst5040433","","","0.71073","MoKα","","0.032","0.0228","","","0.0378","0.0411","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540507","10.6473","0.0004","5.2855","0.0002","17.0313","0.0007","90","","106.099","0.001","90","","920.87","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C36 H64 O8 -","4","1","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid","Crystals","2015","5","4","466","","10.3390/cryst5040466","","","0.71073","MoKα","","0.0421","0.0366","","","0.0991","0.1044","","","","","","1.058","","","","has coordinates","170126","2020-10-21","18:00:00",""
"1540508","4.1405","0.0002","15.2839","0.0006","17.7089","0.0007","68.3291","0.0011","83.385","0.0013","85.0779","0.0012","1033.39","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","2","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid","Crystals","2015","5","4","466","","10.3390/cryst5040466","","","0.71073","MoKα","","0.0619","0.0442","","","0.1107","0.1224","","","","","","1.057","","","","has coordinates","170127","2020-10-21","18:00:00",""
"1540509","16.355","0.003","17.478","0.004","5.4549","0.0011","90","","90","","90","","1559.3","0.6","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H26 Ca N4 O14 S2 -","- C24 H26 Ca N4 O14 S2 -","- C48 H52 Ca2 N8 O28 S4 -","2","0.5","","Tai, Xi-Shi; Wang, Xin","Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate","Crystals","2015","5","4","458","","10.3390/cryst5040458","","","0.71073","MoKα","","0.075","0.0703","","","0.1848","0.1884","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540510","10.049","0.002","11.337","0.002","14.471","0.003","82.53","0.03","83.02","0.03","73.74","0.03","1563","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","1","0.5","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0589","0.0547","","","0.1647","0.1663","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540511","9.6687","0.0019","9.948","0.002","19.611","0.004","93.77","0.03","91.33","0.03","90.96","0.03","1881.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li2 N4 O2 -","- C38 H54 Li2 N4 O2 -","- C76 H108 Li4 N8 O4 -","2","1","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0782","0.052","","","0.1256","0.1347","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540512","9.8768","0.0003","10.2082","0.0003","11.6883","0.0004","104.144","0.003","90.248","0.003","104.209","0.002","1105.18","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","1","0.5","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","1.54184","CuKα","","0.0403","0.0392","","","0.0964","0.0974","","","","","","1.027","","","","has coordinates","170131","2020-10-21","18:00:00",""
"1540513","11.117","0.002","36.425","0.007","13.538","0.003","90","","96.7","0.03","90","","5444.6","1.9","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C176 H288 Ce4 Cl8 Li4 N16 O8 P8 Si16 -","4","1","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0531","0.0363","","","0.0806","0.0859","","","","","","0.977","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540514","9.2138","0.0009","7.3606","0.0006","16.9811","0.0012","90","","102.272","0.008","90","","1125.33","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","2","","Guo, Wenqiang; Zhang, Zhenzhen; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2.","Journal of natural products","2015","78","11","2699","2703","10.1021/acs.jnatprod.5b00655","","","1.5418","CuKα","","0.0545","0.0471","","","0.1215","0.1308","","","","","","1.046","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1540524","11.0875","0.001","14.3476","0.0013","23.495","0.002","90","","90","","90","","3737.6","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 N O14 -","- C38 H50 N O14 -","- C152 H200 N4 O56 -","4","1","","Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U","12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii.","Journal of natural products","2015","78","11","2684","2690","10.1021/acs.jnatprod.5b00631","","","0.71069","MoKα","","0.1524","0.0661","","","0.1244","0.1521","","","","","","0.998","","","","has coordinates","170802","2020-10-21","18:00:00",""
"1540525","12.0328","0.0004","21.7465","0.0006","15.6177","0.0004","90","","95.277","0.001","90","","4069.4","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O15 -","- C40 H53 N O15 -","- C160 H212 N4 O60 -","4","2","","Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U","12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii.","Journal of natural products","2015","78","11","2684","2690","10.1021/acs.jnatprod.5b00631","","","0.71069","MoKα","","0.1149","0.068","","","0.1662","0.1949","","","","","","0.969","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540526","7.2341","0.0001","12.0603","0.0002","19.2403","0.0003","90","","90","","90","","1678.63","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Li, Tian-Xiao; Yang, Ming-Hua; Wang, Xiao-Bing; Wang, Ying; Kong, Ling-Yi","Synergistic Antifungal Meroterpenes and Dioxolanone Derivatives from the Endophytic Fungus Guignardia sp.","Journal of natural products","2015","78","11","2511","2520","10.1021/acs.jnatprod.5b00008","","","1.54184","CuKα","","0.0392","0.0358","","","0.094","0.0978","","","","","","1.051","","","","has coordinates","170803","2020-10-21","18:00:00",""
"1540527","5.6679","0.0001","13.4355","0.0002","18.1813","0.0003","90","","90","","90","","1384.53","0.04","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","","Zheng, Xiu-Mian; Meng, Fan-Wang; Geng, Fang; Qi, Meng; Luo, Cheng; Yang, Li; Wang, Zheng-Tao","Plantadeprate A, a Tricyclic Monoterpene Zwitterionic Guanidium, and Related Derivatives from the Seeds of Plantago depressa.","Journal of natural products","2015","78","11","2822","2826","10.1021/acs.jnatprod.5b00368","","","1.54178","CuKα","","0.0293","0.0284","","","0.0761","0.0773","","","","","","1.064","","","","has coordinates","170806","2020-10-21","18:00:00",""
"1540528","7.132","0.002","27.174","0.006","9.624","0.002","90","","90.614","0.007","90","","1865.1","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","2","","Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang","Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi.","Journal of natural products","2015","78","11","2800","2807","10.1021/acs.jnatprod.5b00781","","","1.54187","CuKα","","0.033","0.0328","","","0.0901","0.0903","","","","","","1.049","","","","has coordinates","170807","2020-10-21","18:00:00",""
"1540529","6.7178","0.0011","17.015","0.002","34.5","0.006","90","","90.064","0.006","90","","3943.5","1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H36 O3 -","- C21 H36 O3 -","- C168 H288 O24 -","8","4","","Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang","Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi.","Journal of natural products","2015","78","11","2800","2807","10.1021/acs.jnatprod.5b00781","","","1.54187","CuKα","","0.038","0.0373","","","0.0972","0.0977","","","","","","1.009","","","","has coordinates","170807","2020-10-21","18:00:00",""
"1540534","12.452","0.002","9.3523","0.0016","11.841","0.002","90","","98.748","0.004","90","","1362.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Zhou, Zhi; Liu, Guixia; Chen, Yan; Lu, Xiyan","Cascade Synthesis of 3-Alkylidene Dihydrobenzofuran Derivatives via Rhodium(III)-Catalyzed Redox-Neutral C-H Functionalization/Cyclization.","Organic letters","2015","17","23","5874","5877","10.1021/acs.orglett.5b03060","","","0.71073","MoKα","","0.0894","0.0641","","","0.1315","0.1392","","","","","","1.077","","","","has coordinates","170830","2020-10-21","18:00:00",""
"1540535","11.3831","0.0003","11.7165","0.0003","12.5092","0.0003","77.777","0.002","83.9","0.002","89.052","0.002","1621.27","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Cl4 O -","- C44 H28 Cl4 O -","- C88 H56 Cl8 O2 -","2","1","","Das, Soumyajit; Wu, Jishan","Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement.","Organic letters","2015","17","23","5854","5857","10.1021/acs.orglett.5b03028","","","1.54178","CuKα","","0.0997","0.0583","","","0.12","0.1372","","","","","","1.018","","","","has coordinates","170831","2020-10-21","18:00:00",""
"1540536","6.359","0.002","22.998","0.005","32.023","0.007","90","","90.01","0.001","90","","4683","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C180 H252 N36 O60 -","12","6","","Zhang, Xiaofei; Yang, Haodong; Tang, Pingping","Transition-Metal-Free Oxidative Aliphatic C-H Azidation.","Organic letters","2015","17","23","5828","5831","10.1021/acs.orglett.5b03001","","","1.54187","CuKα","","0.0806","0.0682","","","0.1499","0.1575","","","","","","1.099","","","","has coordinates","170834","2020-10-21","18:00:00",""
"1540537","10.9076","0.0008","6.7702","0.0004","21.2437","0.0015","90","","103.38","0.002","90","","1526.19","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","","Kröger, Denis; Franz, Max; Schmidtmann, Marc; Martens, Jürgen","Sequential Multicomponent Reactions and a Cu-Mediated Rearrangement: Diastereoselective Synthesis of Tricyclic Ketones.","Organic letters","2015","17","23","5866","5869","10.1021/acs.orglett.5b03057","","","0.71073","MoKα","","0.0535","0.0367","","","0.0845","0.0924","","","","","","1.029","","","","has coordinates","170835","2020-10-21","18:00:00",""
"1540549","19.431","0.004","22.435","0.005","28.802","0.006","81.86","0.03","81.6","0.03","75.35","0.03","11945","5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C202 H191 Cl12 N41 O70 Zn9 -","- C202 H179 Cl12 N41 O70 Zn9 -","- C404 H358 Cl24 N82 O140 Zn18 -","2","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.71073","MoKα","","0.1271","0.0748","","","0.1885","0.2252","","","","","","1.027","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540550","15.8416","0.0011","55.356","0.004","33.875","0.0019","90","","90.229","0.003","90","","29706","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C222 H163 F60 N41 O62 S22 Zn9 -","- C213 H163 F33 N36.5 O44 S13 Zn9 -","- C852 H652 F132 N146 O176 S52 Zn36 -","4","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.6889","synchrotron","","0.1996","0.1869","","","0.4455","0.4548","","","","","","1.374","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540551","36.8","0.017","36.8","0.017","35.22","0.02","90","","90","","120","","41306","4","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C202 H146 F40 N62 O66 S22 Zn9 -","- C187 H146 F21 N32.5 O32 S7 Zn9 -","- C1122 H876 F126 N195 O192 S42 Zn54 -","6","0.5","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","0.6889","synchrotron","","0.1138","0.0937","","","0.2471","0.2655","","","","","","1.071","","","","has coordinates,has disorder","208253","2020-10-21","18:00:00",""
"1540552","38.4811","0.0016","22.233","0.0009","33.8318","0.0014","90","","115.636","0.001","90","","26095.5","1.9","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C198 H149 F48 N39 O64 Re4 S16 Zn9 -","- C183.4 H149 F4.2 N31.7 O33.85 Re2.94 S1.4 Zn9 -","- C733.6 H596 F16.8 N126.8 O135.4 Re11.76 S5.6 Zn36 -","4","1","","Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan","Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe","Chem. Sci.","2015","","","","","10.1039/C5SC03926F","","","1.54178","CuKα","","0.1103","0.0786","","","0.2314","0.2483","","","","","","1.072","","","","has coordinates,has disorder","170376","2020-10-21","18:00:00",""
"1540559","6.8195","0.0012","8.3525","0.0014","20.053","0.003","90","","90","","90","","1142.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N -","- C15 H13 N -","- C60 H52 N4 -","4","1","","Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas","Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles.","Organic letters","2015","17","23","5878","5881","10.1021/acs.orglett.5b03064","","","0.71073","MoKα","","0.0858","0.0449","","","0.1181","0.1538","","","","","","0.943","","","","has coordinates","170832","2020-10-21","18:00:00",""
"1540569","13.835","0.003","14.066","0.002","7.7299","0.0013","90","","97.446","0.008","90","","1491.6","0.5","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N2 O3 -","- C17 H11 F3 N2 O3 -","- C68 H44 F12 N8 O12 -","4","1","","Fugard, Alison J.; Thompson, Bethany K.; Slawin, Alexandra M. Z.; Taylor, James E.; Smith, Andrew D.","Organocatalytic Synthesis of Fused Bicyclic 2,3-Dihydro-1,3,4-oxadiazoles through an Intramolecular Cascade Cyclization.","Organic letters","2015","17","23","5824","5827","10.1021/acs.orglett.5b02997","","","1.54187","CuKα","","","0.0359","","","","0.0993","","","","","","1.024","","","","has coordinates","170833","2020-10-21","18:00:00",""
"1540570","19.6642","0.0008","12.5427","0.0005","16.2481","0.0007","90","","91.706","0.001","90","","4005.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.42 H45.33 N8 O15.23 Zr -","- C36.432 H45.308 N8 O15.222 Zr -","- C145.728 H181.232 N32 O60.888 Zr4 -","4","1","","Deri, Melissa A.; Ponnala, Shashikanth; Kozlowski, Paul; Burton-Pye, Benjamin P; Cicek, Huseyin T.; Hu, Chunhua; Lewis, Jason S.; Francesconi, Lynn C.","p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET.","Bioconjugate chemistry","2015","26","12","2579","2591","10.1021/acs.bioconjchem.5b00572","","","0.71073","MoKα","","0.0517","0.0396","","","0.0901","0.0954","","","","","","1.04","","","","has coordinates,has disorder","173568","2020-10-21","18:00:00",""
"1540571","8.917","0.0004","7.6126","0.0003","15.0884","0.0006","90","","90","","90","","1024.22","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C11 H14 N2 -","- C11 H14 N2 -","- C44 H56 N8 -","4","0.5","","Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.","The journal of physical chemistry. A","2015","119","49","11820","11836","10.1021/acs.jpca.5b09368","","","0.71073","MoKα","","0.077","0.0641","","","0.1708","0.1785","","","","","","1.071","","","","has coordinates","173599","2020-10-21","18:00:00",""
"1540572","8.4033","0.0017","8.2068","0.0016","10.092","0.002","90","","92.33","0.03","90","","695.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","DTABN","4-(di-tert-butylamino)benzonitrile","","- C15 H22 N2 -","- C15 H22 N2 -","- C30 H44 N4 -","2","1","","Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.","The journal of physical chemistry. A","2015","119","49","11820","11836","10.1021/acs.jpca.5b09368","","x-ray","1.54178","CuKα","","0.0297","0.0294","","","0.0768","0.077","","","","","","1.026","","","","has coordinates","173599","2020-10-21","18:00:00",""
"1540573","6.575","0.0013","7.956","0.0016","9.875","0.002","90.42","0.03","107.21","0.03","101.99","0.03","481.4","0.2","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","1","","Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A.","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.","The journal of physical chemistry. A","2015","119","49","11820","11836","10.1021/acs.jpca.5b09368","","","0.71073","MoKα","","0.0437","0.0379","","","0.0966","0.1012","","","","","","1.031","","","","has coordinates","173599","2020-10-21","18:00:00",""
"1540574","12.134","0.0003","7.418","0.0002","26.1516","0.0007","90","","91.845","0.001","90","","2352.69","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Tomás-Mendivil, Eder; Starck, Jérôme; Ortuno, Jean-Claude; Michelet, Véronique","Synthesis of Functionalized 1H-Isochromene Derivatives via a Au-Catalyzed Domino Cycloisomerization/Reduction Approach.","Organic letters","2015","17","24","6126","6129","10.1021/acs.orglett.5b03146","","","1.54178","CuKα","","0.0629","0.0563","","","0.1508","0.1566","","","","","","1.085","","","","has coordinates","173606","2020-10-21","18:00:00",""
"1540575","5.22344","0.00032","5.22344","0.00032","11.50019","0.0009","90","","90","","90","","313.77","0.04","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ca Gd2 Mo4 O16 -","- Ca Gd2 Mo4 O16 -","- Ca Gd2 Mo4 O16 -","1","0.0625","","Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov","Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties","Journal of the American Ceramic Society","2015","98","10","3223","3230","10.1111/jace.13739","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.1","1.435","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1540576","5.21601","0.00027","5.21601","0.00027","11.4875","0.00076","90","","90","","90","","312.54","0.03","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Ca Er0.2 Gd1.8 Mo4 O16 -","- Ca Er0.2 Gd1.8 Mo4 O16 -","- Ca Er0.2 Gd1.8 Mo4 O16 -","1","0.0625","","Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov","Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties","Journal of the American Ceramic Society","2015","98","10","3223","3230","10.1111/jace.13739","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.53","1.325","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1540577","5.21412","0.00036","5.21412","0.00036","11.48095","0.00089","90","","90","","90","","312.13","0.04","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2 -","- Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2 -","- Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2 -","1","0.0625","","Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov","Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties","Journal of the American Ceramic Society","2015","98","10","3223","3230","10.1111/jace.13739","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.24","1.294","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1540578","5.21103","0.00041","5.21103","0.00041","11.47435","0.00093","90","","90","","90","","311.58","0.04","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45 -","- Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45 -","- Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45 -","1","0.0625","","Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov","Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties","Journal of the American Ceramic Society","2015","98","10","3223","3230","10.1111/jace.13739","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.72","1.395","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1540580","26.2091","0.0005","26.2091","0.0005","6.7076","0.0005","90","","90","","120","","3990.3","0.3","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C204 H180 O12 -","6","1","","Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke","Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.","Organic letters","2015","17","24","6018","6021","10.1021/acs.orglett.5b02983","","","1.54187","CuKα","","0.0568","0.0451","","","0.0852","0.0892","","","","","","1.041","","","","has coordinates","173604","2020-10-21","18:00:00",""
"1540584","6.1386","0.0002","8.845","0.0003","20.0476","0.0007","100.943","0.003","95.193","0.003","92.11","0.003","1062.7","0.06","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O7 -","- C21 H29 N O7 -","- C42 H58 N2 O14 -","2","1","","Cameron, Alex; Fisher, Brendan; Fisk, Nicholas; Hummel, Jessica; White, Jonathan M.; Krenske, Elizabeth H.; Rizzacasa, Mark A.","Towards the Synthesis of Dihydrooxepino[4,3-b]pyrrole-Containing Natural Products via Cope Rearrangement of Vinyl Pyrrole Epoxides.","Organic letters","2015","17","24","5998","6001","10.1021/acs.orglett.5b02965","","x-ray","1.54184","CuKα","","0.0408","0.0366","","","0.0952","0.0993","","","","","","1.051","","","","has coordinates","173605","2020-10-21","18:00:00",""
"1540588","16.2698","0.0011","15.1873","0.0009","25.1775","0.0016","90","","96.682","0.002","90","","6179","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 Br4 N9 O10 Yb -","- C58 H72 Br4 N9 O10 Yb -","- C232 H288 Br16 N36 O40 Yb4 -","4","1","","Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.","Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes","Macromolecules","2015","48","22","8197","","10.1021/acs.macromol.5b01880","","","0.71073","MoKα","","0.0511","0.0325","","","0.0649","0.0706","","","","","","1.019","","","","has coordinates","170734","2020-10-21","18:00:00",""
"1540589","13.3478","0.0004","15.5479","0.0004","17.2278","0.0005","90","","90","","90","","3575.29","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 N2 O5 Yb -","- C40 H47 N2 O5 Yb -","- C160 H188 N8 O20 Yb4 -","4","1","","Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.","Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes","Macromolecules","2015","48","22","8197","","10.1021/acs.macromol.5b01880","","","0.71073","MoKα","","0.0265","0.0248","","","0.0606","0.0616","","","","","","1.02","","","","has coordinates","170735","2020-10-21","18:00:00",""
"1540590","7.2431","0.0002","9.1369","0.0003","9.4709","0.0003","67.245","0.001","89.096","0.001","67.767","0.001","528.73","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H7 F O2 -","- C15 H7 F O2 -","- C30 H14 F2 O4 -","2","1","","Wu, Xunshen; Yang, Yang; Han, Jianwei; Wang, Limin","Palladium Catalyzed C-I and Vicinal C-H Dual Activation of Diaryliodonium Salts for Diarylation: Synthesis of 4,5-Benzocoumarins.","Organic letters","2015","17","22","5654","5657","10.1021/acs.orglett.5b02938","","","0.71073","MoKα","","0.0411","0.0366","","","0.1035","0.1091","","","","","","1.068","","","","has coordinates","170739","2020-10-21","18:00:00",""
"1540591","12.335","0.003","13.08","0.003","12.657","0.003","90","","102.79","0.03","90","","1991.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O2 -","- C23 H26 N O2 -","- C92 H104 N4 O8 -","4","1","","Wang, Xinbo; Pan, Yupeng; Huang, Kuo-Wei; Lai, Zhiping","One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere.","Organic letters","2015","17","22","5630","5633","10.1021/acs.orglett.5b02881","","","0.71073","MoKα","","0.1484","0.1446","","","0.4974","0.5083","","","","","","2.694","","","","has coordinates","170740","2020-10-21","18:00:00",""
"1540592","11.418","0.006","10.794","0.006","17.585","0.01","90","","102.207","0.019","90","","2118","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Mao, Wenbin; Zhu, Chen","Synergistic Acid-Promoted Synthesis of Highly Substituted Butenolides via the Annulation of Keto Acids and Tertiary Alcohols.","Organic letters","2015","17","22","5710","5713","10.1021/acs.orglett.5b03026","","","0.71073","MoKα","","0.1199","0.0502","","","0.1259","0.1584","","","","","","0.971","","","","has coordinates","170741","2020-10-21","18:00:00",""
"1540593","14.2696","0.0019","14.853","0.002","14.948","0.003","67.375","0.018","72.768","0.015","89.623","0.012","2772.3","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 F3 N O4 S -","- C33 H24 F3 N O4 S -","- C132 H96 F12 N4 O16 S4 -","4","2","","Nayak, Sanatan; Ghosh, Nayan; Prabagar, B.; Sahoo, Akhila K.","p-TsOH Promoted Au(I)-Catalyzed Consecutive Endo Cyclization of Yne-Tethered Ynamide: Access to Benzofused Dihydroisoquinolones.","Organic letters","2015","17","22","5662","5665","10.1021/acs.orglett.5b02946","","","0.71073","MoKα","","0.29","0.0755","","","0.0821","0.1429","","","","","","0.896","","","","has coordinates","170742","2020-10-21","18:00:00",""
"1540594","11.3289","0.0006","14.3997","0.0007","19.8404","0.001","90","","90","","90","","3236.6","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C168 H128 O32 -","8","1","","Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang","Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition.","Organic letters","2015","17","22","5638","5641","10.1021/acs.orglett.5b02912","","","0.71073","MoKα","","0.0564","0.0395","","","0.0925","0.0994","","","","","","1.029","","","","has coordinates","170743","2020-10-21","18:00:00",""
"1540595","8.1024","0.0011","11.3536","0.0015","14.828","0.002","90","","90","","90","","1364","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-4-(4-methoxyphenyl)-4-phenyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan","Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.","Organic letters","2015","17","22","5520","5523","10.1021/acs.orglett.5b02032","","x-ray","1.54184","CuKα","","0.022","0.0218","","","0.0582","0.0588","","","","","","1.032","","","","has coordinates","170744","2020-10-21","18:00:00",""
"1540596","8.1709","0.0002","8.6771","0.0002","25.4706","0.0006","90","","90","","90","","1805.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,7S)-5-(3-Nitro-1-(3-bromophenyl)2-phenylpropyl)-2-furfural","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz","Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives.","Organic letters","2015","17","22","5682","5685","10.1021/acs.orglett.5b02979","","","1.54178","CuKα","","0.0206","0.0201","","","0.0532","0.0536","","","","","","1.051","","","","has coordinates","170745","2020-10-21","18:00:00",""
"1540597","10.3902","0.0005","11.1304","0.0004","17.5579","0.0007","90","","95.9749","0.0016","90","","2019.49","0.15","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl F3 N O3 S -","- C22 H15 Cl F3 N O3 S -","- C88 H60 Cl4 F12 N4 O12 S4 -","4","1","","Huang, Zhongyan; Wang, Chen; Tokunaga, Etsuko; Sumii, Yuji; Shibata, Norio","Stereoselective Synthesis of β-Lactam-triflones under Catalyst-Free Conditions.","Organic letters","2015","17","22","5610","5613","10.1021/acs.orglett.5b02827","","","0.71075","MoKα","","","0.0421","","","","0.1109","","","","","","1.217","","","","has coordinates","170746","2020-10-21","18:00:00",""
"1540598","10.2204","0.0005","10.3756","0.0007","18.4485","0.0012","95.235","0.005","105.12","0.005","108.782","0.005","1754.9","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N Si -","- C21 H21 N Si -","- C84 H84 N4 Si4 -","4","2","","Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes.","Organic letters","2015","17","22","5674","5677","10.1021/acs.orglett.5b02959","","","0.71073","MoKα","","0.0984","0.0662","","","0.1487","0.1689","","","","","","1.046","","","","has coordinates","170747","2020-10-21","18:00:00",""
"1540599","7.2793","0.0007","12.9826","0.0013","18.8537","0.0019","90","","90","","90","","1781.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.","Organic letters","2015","17","22","5678","5681","10.1021/acs.orglett.5b02967","","","0.71073","MoKα","","0.0674","0.0418","","","0.0816","0.0893","","","","","","1.012","","","","has coordinates","170748","2020-10-21","18:00:00",""
"1540600","9.6188","0.0004","10.5071","0.0004","11.1216","0.0004","94.256","0.002","104.939","0.002","102.615","0.002","1049.6","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Cl N O -","- C29 H18 Cl N O -","- C58 H36 Cl2 N2 O2 -","2","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.","Organic letters","2015","17","22","5678","5681","10.1021/acs.orglett.5b02967","","","0.71073","MoKα","","0.0454","0.0355","","","0.0998","0.111","","","","","","1.094","","","","has coordinates","170750","2020-10-21","18:00:00",""
"1540601","7.5747","0.0003","10.8659","0.0005","20.7341","0.0009","90","","90","","90","","1706.54","0.13","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade.","Organic letters","2015","17","22","5650","5653","10.1021/acs.orglett.5b02932","","","0.71073","MoKα","","0.0734","0.0464","","","0.1273","0.1463","","","","","","1.039","","","","has coordinates","170751","2020-10-21","18:00:00",""
"1540602","8.1069","0.0011","8.3799","0.0011","8.9188","0.0011","102.823","0.004","100.864","0.004","113.21","0.004","516.59","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C26 H24 O4 -","2","1","","Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru","SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives.","Organic letters","2015","17","22","5706","5709","10.1021/acs.orglett.5b03023","","","0.71073","(MoKα)","","0.0535","0.0411","","","0.1202","0.1439","","","","","","1.167","","","","has coordinates","170752","2020-10-21","18:00:00",""
"1540603","7.6982","0.0002","5.5273","0.0002","29.041","0.0008","90","","90","","90","","1235.7","0.06","147","2","147","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H12 B N3 O -","- C15 H12 B N3 O -","- C60 H48 B4 N12 O4 -","4","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.0399","0.0384","","","0.0961","0.0968","","","","","","1.196","","","","has coordinates","170753","2020-10-21","18:00:00",""
"1540604","10.6778","0.0003","8.9179","0.0002","27.039","0.0007","90","","90","","90","","2574.75","0.11","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B N4 -","- C15 H13 B N4 -","- C120 H104 B8 N32 -","8","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.036","0.0319","","","0.0769","0.0794","","","","","","1.074","","","","has coordinates","170754","2020-10-21","18:00:00",""
"1540605","10.332","0.002","10.435","0.002","13.632","0.003","67.996","0.005","82.773","0.006","76.624","0.006","1324.5","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","10,11,12-Triphenyl-10H-phenanthro[9,10-f]phosphindole 10-oxide","","- C38 H25 O P -","- C38 H25 O P -","- C76 H50 O2 P2 -","2","1","","Wu, Bin; Chopra, Rena; Yoshikai, Naohiko","One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization.","Organic letters","2015","17","22","5666","5669","10.1021/acs.orglett.5b02950","","","0.71073","MoKα","","0.1224","0.0585","","","0.1177","0.1468","","","","","","0.997","","","","has coordinates","170755","2020-10-21","18:00:00",""
"1540606","8.7469","0.0002","13.4624","0.0003","24.6866","0.0005","90","","90","","90","","2906.95","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 S2 -","- C12 H17 N O3 S2 -","- C96 H136 N8 O24 S16 -","8","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0237","0.0231","","","0.0606","0.061","","","","","","1.08","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540607","5.9251","0.0001","14.3949","0.0003","17.8151","0.0004","90","","90","","90","","1519.47","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0257","0.0253","","","0.0637","0.0641","","","","","","1.097","","","","has coordinates","170757","2020-10-21","18:00:00",""
"1540608","9.9554","0.0003","13.0776","0.0004","14.9103","0.0004","75.045","0.001","78.893","0.001","69.659","0.001","1747.12","0.09","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C32 H37 Br Cl N3 O6 S2 -","- C32 H37 Br Cl N3 O6 S2 -","- C64 H74 Br2 Cl2 N6 O12 S4 -","2","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0409","0.0404","","","0.1053","0.1058","","","","","","1.052","","","","has coordinates,has disorder","170758","2020-10-21","18:00:00",""
"1540609","10.5944","0.0018","5.6765","0.001","27.958","0.005","90","","94.681","0.003","90","","1675.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Zhu, Longzhi; Qiu, Renhua; Cao, Xin; Xiao, Song; Xu, Xinhua; Au, Chak-Tong; Yin, Shuang-Feng","Copper-Mediated Remote C-H Bond Chalcogenation of Quinolines on the C5 Position.","Organic letters","2015","17","22","5528","5531","10.1021/acs.orglett.5b02511","","","0.71073","MoKα","","0.0953","0.0913","","","0.2157","0.2174","","","","","","1.179","","","","has coordinates","170759","2020-10-21","18:00:00",""
"1540610","7.7796","0.0013","34.171","0.006","8.2694","0.0014","90","","93.715","0.005","90","","2193.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xua, Hua-Dong","Stereoselective Construction of Bridged trans-aza-Bicyclo[7/6,3/2,1]alkenyl Imines through Ring Expansion aza-Cope Rearrangement.","Organic letters","2015","17","22","5598","5601","10.1021/acs.orglett.5b02798","","","0.71073","MoKα","","0.2189","0.1536","","","0.2663","0.2998","","","","","","1.16","","","","has coordinates","170760","2020-10-21","18:00:00",""
"1540611","16.685","0.004","16.536","0.004","37.285","0.008","90","","90","","90","","10287","4","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H56 Si4 -","- C60 H56 Si4 -","- C480 H448 Si32 -","8","1","","Fu, Xiangyu; Zhao, Dahui","Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.","Organic letters","2015","17","22","5694","5697","10.1021/acs.orglett.5b03000","","","0.71073","MoKα","","0.0923","0.0829","","","0.1789","0.1845","","","","","","1.32","","","","has coordinates","170761","2020-10-21","18:00:00",""
"1540612","8.1446","0.0001","8.8894","0.0002","22.8882","0.0004","90","","97.4066","0.0012","90","","1643.29","0.05","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S.","A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework.","Organic letters","2015","17","22","5517","5519","10.1021/acs.orglett.5b02412","","","0.71073","MoKα","","0.067","0.0338","","0.1157","0.0805","0.1157","","","","","","0.997","","","","has coordinates","170762","2020-10-21","18:00:00",""
"1540613","14.271","0.002","7.3032","0.001","15.87","0.002","90","","97.862","0.007","90","","1638.5","0.4","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S.","A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework.","Organic letters","2015","17","22","5517","5519","10.1021/acs.orglett.5b02412","","","0.71073","MoKα","","0.1808","0.0751","","0.2255","0.1758","0.2255","","","","","","0.9869","","","","has coordinates","170763","2020-10-21","18:00:00",""
"1540614","6.8857","0.0011","7.8782","0.0012","14.23","0.002","73.669","0.005","85.904","0.005","80.621","0.005","730.62","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FW155","","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C30 H28 N4 O14 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0637","0.0397","","","0.0895","0.0987","","","","","","1.052","","","","has coordinates","170764","2020-10-21","18:00:00",""
"1540615","6.4851","0.0006","8.2205","0.0008","12.0587","0.001","92.463","0.003","91.458","0.003","99.303","0.003","633.47","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O7 -","- C13 H10 N2 O7 -","- C26 H20 N4 O14 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0395","0.0328","","","0.087","0.0914","","","","","","1.076","","","","has coordinates","170764","2020-10-21","18:00:00",""
"1540616","7.9292","0.0004","8.4053","0.0004","10.7094","0.0005","93.039","0.002","104.73","0.002","106.745","0.002","654.85","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","FWHA041b","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0442","0.0353","","","0.0954","0.1016","","","","","","1.038","","","","has coordinates","170764","2020-10-21","18:00:00",""
"1540617","14.188","0.0006","5.8892","0.0003","15.3276","0.0006","90","","103.795","0.002","90","","1243.77","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C60 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0509","0.0369","","","0.102","0.1294","","","","","","1.158","","","","has coordinates","170765","2020-10-21","18:00:00",""
"1540618","7.1637","0.0004","11.4472","0.0005","11.9023","0.0005","79.27","0.002","77.811","0.002","87.147","0.002","937.3","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.057","0.0393","","","0.1184","0.1402","","","","","","1.147","","","","has coordinates","170766","2020-10-21","18:00:00",""
"1540619","15.3544","0.0007","5.9154","0.0003","21.8657","0.0011","90","","90.554","0.002","90","","1985.91","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F O3 S -","- C24 H21 F O3 S -","- C96 H84 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0537","0.0371","","","0.1035","0.1264","","","","","","1.152","","","","has coordinates","170767","2020-10-21","18:00:00",""
"1540620","16.1272","0.0015","8.2497","0.0008","17.782","0.0016","90","","90","","90","","2365.8","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0475","0.0371","","","0.0808","0.0863","","","","","","1.026","","","","has coordinates","170768","2020-10-21","18:00:00",""
"1540621","14.7522","0.0008","13.9738","0.0008","6.7673","0.0004","90","","100.152","0.004","90","","1373.2","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N4 O -","- C14 H11 Br N4 O -","- C56 H44 Br4 N16 O4 -","4","1","","Rajamanickam, Suresh; Majji, Ganesh; Santra, Sourav Kumar; Patel, Bhisma K.","Bu4NI Catalyzed C-N Bond Formation via Cross-Dehydrogenative Coupling of Aryl Ethers (Csp3-H) and Tetrazoles (N-H).","Organic letters","2015","17","22","5586","5589","10.1021/acs.orglett.5b02749","","","0.71073","MoKα","","0.0678","0.0341","","","0.0841","0.1042","","","","","","1.002","","","","has coordinates","170769","2020-10-21","18:00:00",""
"1540622","19.9301","0.0018","11.6169","0.001","12.0116","0.0011","90","","106.035","0.002","90","","2672.8","0.4","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H20 Cl F3 N2 O3 -","- C27 H20 Cl F3 N2 O3 -","- C108 H80 Cl4 F12 N8 O12 -","4","1","","Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin","A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols.","Organic letters","2015","17","22","5554","5557","10.1021/acs.orglett.5b02668","","","0.71073","MoKα","","0.051","0.0413","","","0.099","0.1038","","","","","","1.035","","","","has coordinates","170770","2020-10-21","18:00:00",""
"1540623","17.598","0.006","6.875","0.002","10.631","0.004","90","","90","","90","","1286.2","0.8","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","t-butyl pyridine indenone","1-(t-butyl)-3-methyl-9H-indeno[2,1-c]pyridin-9-one","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","0.5","","Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu","Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.","Organic letters","2015","17","22","5578","5581","10.1021/acs.orglett.5b02731","","","0.71073","MoKα","","0.0401","0.039","","","0.1077","0.1094","","","","","","1.041","","","","has coordinates","170771","2020-10-21","18:00:00",""
"1540624","9.5944","0.0018","19.75","0.004","7.917","0.0015","90","","90.554","0.002","90","","1500.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-(t-Bu isoxazole) MVK benzene","(E)-4-(2-(3-(tert-butyl)isoxazol-5-yl)phenyl)but-3-en-2-one","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu","Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.","Organic letters","2015","17","22","5578","5581","10.1021/acs.orglett.5b02731","","","0.71073","MoKα","","0.0463","0.0378","","","0.0897","0.0957","","","","","","1.05","","","","has coordinates","170772","2020-10-21","18:00:00",""
"1540625","11.521","0.0004","11.9824","0.0004","20.383","0.0006","90","","98.02","0.003","90","","2786.34","0.16","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 O5 P W -","- C32 H21 O5 P W -","- C128 H84 O20 P4 W4 -","4","1","","Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François","Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes.","Organic letters","2015","17","22","5722","5724","10.1021/acs.orglett.5b02926","","","0.71073","MoKα","","0.046","0.0318","","","0.0562","0.061","","","","","","1.038","","","","has coordinates","170773","2020-10-21","18:00:00",""
"1540626","10.0435","0.0008","10.3143","0.0008","12.8862","0.0011","74.5019","0.0014","87.313","0.0014","78.6415","0.0014","1261.15","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","1","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.6861","synchrotron","","0.0381","0.0376","","","0.0934","0.0938","","","","","","1.015","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540627","11.7691","0.0007","14.1045","0.0009","18.0657","0.0012","83.543","0.005","81.066","0.005","74.829","0.005","2851.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Cl2 Mo N2 O2 -","- C60 H82 Cl2 Mo N2 O2 -","- C120 H164 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0563","0.0401","","","0.0938","0.0968","","","","","","0.912","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540628","14.2727","0.0008","15.4944","0.0008","18.0242","0.001","90","","98.4505","0.001","90","","3942.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H106 F10 Mo2 N4 O4 -","- C80 H106 F10 Mo2 N4 O4 -","- C160 H212 F20 Mo4 N8 O8 -","2","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0853","0.0442","","","0.095","0.1097","","","","","","1.028","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540629","13.0178","0.0008","13.4853","0.0008","16.9177","0.001","106.113","0.001","96.4972","0.001","92.7062","0.001","2825.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","1","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0643","0.0432","","","0.0969","0.1074","","","","","","1.035","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540630","40.815","0.003","17.0938","0.0011","16.3488","0.0011","90","","94.82","0.001","90","","11365.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H182 Mo2 N4 O4 -","- C112 H154 Mo2 N4 O4 -","- C448 H616 Mo8 N16 O16 -","4","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0619","0.0437","","","0.1154","0.1258","","","","","","1.024","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540631","18.7522","0.001","22.6704","0.0012","25.8469","0.0018","79.933","0.006","81.162","0.006","81.434","0.006","10605.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H140 F10 Mo2 N8 O8 -","- C99 H132.5 F10 Mo2 N5.5 O8 -","- C396 H530 F40 Mo8 N22 O32 -","4","2","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1886","0.0839","","","0.1769","0.2123","","","","","","0.861","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540632","10.0491","0.001","10.6022","0.0011","15.6133","0.0019","92.902","0.009","90.577","0.009","112.932","0.008","1529.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Mo N2 O2 -","- C28 H44 Cl2 Mo N2 O2 -","- C56 H88 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1214","0.0626","","","0.1356","0.1556","","","","","","0.893","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540633","10.418","0.0011","14.7052","0.0015","17.8673","0.0018","90","","99.129","0.002","90","","2702.6","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Br N2 O7 S -","- C26 H31 Br N2 O7 S -","- C104 H124 Br4 N8 O28 S4 -","4","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0419","0.0303","","","0.0696","0.0735","","","","","","1.055","","","","has coordinates,has disorder","170837","2020-10-21","18:00:00",""
"1540634","8.3812","0.0012","13.0305","0.0018","13.2656","0.0019","64.054","0.002","83.078","0.002","86.643","0.002","1293.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Br N2 O7 S -","- C26 H29 Br N2 O7 S -","- C52 H58 Br2 N4 O14 S2 -","2","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0477","0.0337","","","0.0759","0.0804","","","","","","1.071","","","","has coordinates","170838","2020-10-21","18:00:00",""
"1540635","15.9728","0.0012","14.008","0.001","22.8933","0.0017","90","","109.716","0.001","90","","4822","0.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Br2 N4 O10 S2 -","- C48 H54 Br2 N4 O10 S2 -","- C192 H216 Br8 N16 O40 S8 -","4","1","","Mizoguchi, Kenji; Sakamoto, Hirokazu","Role ofWater Molecules to the Electronic States of M-DNA","Crystals","2015","5","4","475","","10.3390/cryst5040475","","","0.71073","MoKα","","0.0507","0.0317","","","0.0715","0.0786","","","","","","1.011","","","","has coordinates","170839","2020-10-21","18:00:00",""
"1540636","11.421","0.002","9.2213","0.0017","15.188","0.003","90","","106.112","0.003","90","","1536.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 Cu0 N4 O8 Zn -","- C32 H34 N4 O8 Zn -","- C64 H68 N8 O16 Zn2 -","2","1","","Tai, Xi-Shi; You, Hai-Ying","A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property","Crystals","2015","5","4","608","","10.3390/cryst5040608","","","0.71073","MoKα","","0.0711","0.0439","","","0.1013","0.1156","","","","","","1.005","","","","has coordinates,has disorder","170840","2020-10-21","18:00:00",""
"1540637","10.049","0.002","11.337","0.002","14.471","0.003","82.53","0.03","83.02","0.03","73.74","0.03","1563","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","1","0.5","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0589","0.0547","","","0.1647","0.1663","","","","","","1.219","","","","has coordinates","170841","2020-10-21","18:00:00",""
"1540638","9.6687","0.0019","9.948","0.002","19.611","0.004","93.77","0.03","91.33","0.03","90.96","0.03","1881.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li2 N4 O2 -","- C38 H54 Li2 N4 O2 -","- C76 H108 Li4 N8 O4 -","2","1","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0782","0.052","","","0.1256","0.1347","","","","","","1.013","","","","has coordinates,has disorder","170842","2020-10-21","18:00:00",""
"1540639","9.8768","0.0003","10.2082","0.0003","11.6883","0.0004","104.144","0.003","90.248","0.003","104.209","0.002","1105.18","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","1","0.5","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","1.54184","CuKα","","0.0403","0.0392","","","0.0964","0.0974","","","","","","1.027","","","","has coordinates","170843","2020-10-21","18:00:00",""
"1540640","11.117","0.002","36.425","0.007","13.538","0.003","90","","96.7","0.03","90","","5444.6","1.9","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C176 H288 Ce4 Cl8 Li4 N16 O8 P8 Si16 -","4","1","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0531","0.0363","","","0.0806","0.0859","","","","","","0.977","","","","has coordinates,has disorder","170844","2020-10-21","18:00:00",""
"1540641","14.6954","0.0004","14.3307","0.0006","18.2161","0.0004","90","","90","","90","","3836.2","0.2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18.37 N4 O7.68 Y -","- C16 H18.3664 N4 O7.6832 Y -","- C128 H146.931 N32 O61.4656 Y8 -","8","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0612","0.0447","","","0.1075","0.1183","","","","","","1.054","","","","has coordinates,has disorder","170845","2020-10-21","18:00:00",""
"1540642","14.2871","0.0003","19.9839","0.0006","20.0637","0.0007","90","","101.857","0.003","90","","5606.2","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl3 Dy2 N9 O9 -","- C42 H36 Cl3 Dy2 N9 O9 -","- C168 H144 Cl12 Dy8 N36 O36 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","0.71073","MoKα","","0.0562","0.0452","","","0.1161","0.1221","","","","","","1.077","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540643","14.218","0.003","20.386","0.004","20.455","0.004","90","","101.982","0.016","90","","5800","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl3 Gd2 N9 O9 -","- C42 H35 Cl3 Gd2 N9 O9 -","- C168 H140 Cl12 Gd8 N36 O36 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","0.71073","MoKα","","0.0974","0.0608","","","0.1403","0.1576","","","","","","0.937","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540644","10.3419","0.0003","14.585","0.0005","15.7309","0.0005","95.672","0.003","95.377","0.002","109.768","0.003","2201.46","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Dy N5 O11 -","- C16 H20 Dy N5 O11 -","- C64 H80 Dy4 N20 O44 -","4","2","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0372","0.031","","","0.0743","0.0793","","","","","","1.049","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540645","12.2901","0.0009","15.4666","0.0011","18.778","0.0013","90","","100.085","0.006","90","","3514.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl N7 O8 Y -","- C32 H35 Cl N7 O8 Y -","- C128 H140 Cl4 N28 O32 Y4 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","","0.71075","MoKα","","0.0905","0.0524","","","0.1169","0.1338","","","","","","1.007","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540646","10.1896","0.0004","11.5565","0.0005","11.5966","0.0005","65.09","0.003","83.184","0.003","84.962","0.004","1228.69","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Ga2 Ho2 N2 -","- C44 H82 Ga2 Ho2 N2 -","- C44 H82 Ga2 Ho2 N2 -","1","0.5","","Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner","Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands","Inorganics","2015","3","4","500","","10.3390/inorganics3040500","","","0.71073","MoKα","","0.0344","0.0296","","","0.0644","0.0661","","","","","","1.082","","","","has coordinates","170846","2020-10-21","18:00:00",""
"1540647","24.0888","0.0013","11.7687","0.0006","20.4327","0.0011","90","","111.559","0.001","90","","5387.3","0.5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Al2 Ho2 N2 -","- C44 H82 Al2 Ho2 N2 -","- C176 H328 Al8 Ho8 N8 -","4","0.5","","Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner","Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands","Inorganics","2015","3","4","500","","10.3390/inorganics3040500","","","0.71073","MoKα","","0.0182","0.0172","","","0.0457","0.0466","","","","","","1.042","","","","has coordinates","170847","2020-10-21","18:00:00",""
"1540648","20.3261","0.0011","54.668","0.003","16.5827","0.0009","90","","90","","90","","18426.5","1.7","88","2","88","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C81 H141 K2 La2 N4 O13 Si4 -","- C81 H141 K2 La2 N4 O13 Si4 -","- C648 H1128 K16 La16 N32 O104 Si32 -","8","1","","Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J.","Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants","Chem. Sci.","2015","6","12","7267","","10.1039/C5SC02486B","","","0.71073","MoKα","","0.065","0.0553","","","0.1258","0.1305","","","","","","1.211","","","","has coordinates","170858","2020-10-21","18:00:00",""
"1540649","7.687","0.0012","5.6405","0.0009","26.624","0.004","90","","97.533","0.002","90","","1144.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br N2 S -","- C10 H10 Br N3 S -","- C40 H40 Br4 N12 S4 -","4","1","","Shen, Tao; Huang, Xiaoqiang; Liang, Yu-Feng; Jiao, Ning","Cu-Catalyzed Transformation of Alkynes and Alkenes with Azide and Dimethyl Sulfoxide Reagents.","Organic letters","2015","17","24","6186","6189","10.1021/acs.orglett.5b03179","","","0.71073","MoKα","","0.0435","0.0312","","","0.0719","0.0768","","","","","","1.043","","","","has coordinates","173607","2020-10-21","18:00:00",""
"1540688","8.28899","0.00019","11.8587","0.0002","15.3047","0.0003","90","","90","","90","","1504.4","0.05","98.8","","98.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0359","0.035","","","0.0921","0.0929","","","","","","1.053","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540689","6.30022","0.0001","15.0054","0.0002","23.3482","0.0008","90","","90","","90","","2207.28","0.09","100.1","","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O6 -","- C24 H32 O6 -","- C96 H128 O24 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0417","0.0391","","","0.1001","0.103","","","","","","1.031","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540690","10.0518","0.0002","13.1222","0.0002","21.7957","0.0005","90","","90","","90","","2874.89","0.1","100.1","","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41.41 O8.71 -","- C32 H41.422 O8.711 -","- C128 H165.688 O34.844 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0372","0.0365","","","0.0939","0.0945","","","","","","1.049","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540691","7.3761","0.0002","8.0325","0.0005","24.6298","0.0014","90","","90","","90","","1459.28","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol","Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia.","Journal of natural products","2015","78","12","2948","2955","10.1021/acs.jnatprod.5b00614","","","1.54184","CuKα","","0.0375","0.0347","","","0.087","0.09","","","","","","1.054","","","","has coordinates","173584","2020-10-21","18:00:00",""
"1540696","9.0359","0.0003","10.9281","0.0004","15.2645","0.0005","90","","90","","90","","1507.3","0.09","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O5 S -","- C12 H21 N O5 S -","- C48 H84 N4 O20 S4 -","4","1","","Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki","A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations.","Journal of agricultural and food chemistry","2015","63","50","10778","10784","10.1021/acs.jafc.5b05501","","","1.54178","","","0.027","0.025","","","0.0611","0.0621","","","","","","1.063","","","","has coordinates,has disorder","173582","2020-10-21","18:00:00",""
"1540706","4.9472","0.0002","7.4767","0.0003","10.3691","0.0003","68.856","0.003","86.708","0.002","70.864","0.003","337.15","0.02","20","0.1","20","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C14 H10 N2 O8 -","2","1","","Zhurov, Vladimir V.; Pinkerton, A. Alan","Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis.","The journal of physical chemistry. A","2015","119","52","13092","13100","10.1021/acs.jpca.5b10027","","","0.71073","MoKα","","0.014","0.014","","","","0.016","0.0158","","","","","1.341","","","","has coordinates","173598","2020-10-21","18:00:00",""
"1540712","12.721","0.003","26.545","0.005","18.27","0.004","90","","107.2","0.03","90","","5893","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 B2 F24 P2 Rh -","- C57 H49 B2 F24 P2 Rh -","- C228 H196 B8 F96 P8 Rh4 -","4","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.1166","0.0499","","","0.1016","0.1224","","","","","","0.989","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1540713","13.155","0.003","13.139","0.003","35.677","0.007","90","","95.41","0.03","90","","6139","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H61 B2 F24 P2 Rh -","- C57 H61 B2 F24 P2 Rh -","- C228 H244 B8 F96 P8 Rh4 -","4","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.182","0.0625","","","0.1411","0.1869","","","","","","0.853","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1540714","12.494","0.003","13.356","0.003","18.152","0.004","102.66","0.03","92.36","0.03","90.85","0.03","2952","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H57 B2 F24 P2 Rh -","- C53 H57 B2 F24 P2 Rh -","- C106 H114 B4 F48 P4 Rh2 -","2","1","","Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan","Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies","Chem. Sci.","2015","","","","","10.1039/C5SC04150C","","","0.71073","MoKα","","0.0917","0.0571","","","0.1461","0.1738","","","","","","0.867","","","","has coordinates,has disorder","171666","2020-10-21","18:00:00",""
"1541911","11.199","0.006","34.737","0.018","10.931","0.006","90","","116.801","0.007","90","","3796","4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Ce O2 Si4 -","- C30 H60 Ce O2 Si4 -","- C120 H240 Ce4 O8 Si16 -","4","1","","Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John","Synthesis and Characterization of Cerium(IV) Metallocenes","Inorganics","2015","3","4","589","","10.3390/inorganics3040589","","","0.71073","MoKα","","0.1595","0.0696","","","0.1389","0.1775","","","","","","0.966","","","","has coordinates,has disorder","173615","2020-10-21","18:00:00",""
"1542771","19.0673","0.0006","9.8391","0.0002","20.5654","0.0006","90","","117.58","0.004","90","","3419.8","0.2","10","5","10","5","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C144 H120 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","YC5003","Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo","Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis","IUCrJ","2015","2","1","35","44","10.1107/S2052252514023598","","","0.71073","MoKα","","0.0345","0.0275","","","0.0625","0.0663","","","","","","1.059","","","","has coordinates","178175","2020-10-21","18:00:00",""
"1542772","11.9247","0.0005","14.3066","0.0007","6.2444","0.0005","90","","90","","90","","1065.31","0.11","308","0.7","308","0.7","","","","","","","","5","P 21 21 2","P 2 2ab","18","Rochelle salt","Potassium sodium tartrate tetrahydrate","","- C4 H12 K Na O10 -","- C4 H12 K Na O10 -","- C16 H48 K4 Na4 O40 -","4","1","","Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh","Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K","IUCrJ","2015","2","1","19","28","10.1107/S2052252514022155","","","0.60097","","","0.0371","0.0236","","","0.0579","0.0608","","","","","","0.997","","","","has coordinates","178176","2020-10-21","18:00:00",""
"1542773","10.6531","0.0007","11.2628","0.0007","14.4311","0.001","72.401","0.003","86.598","0.003","82.882","0.003","1637.3","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Ag4 F28 N4 O8 -","- C61 H40 Ag4 F28 N4 O8 -","- C61 H40 Ag4 F28 N4 O8 -","1","0.5","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0753","0.0649","","","0.1612","0.1673","","","","","","1.086","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542774","11.1146","0.0003","22.7107","0.0008","13.2046","0.0004","90","","111.785","0.002","90","","3095.07","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Ag2 F14 N2 O4 -","- C28 H18 Ag2 F14 N2 O4 -","- C112 H72 Ag8 F56 N8 O16 -","4","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0619","0.0407","","","0.1029","0.1217","","","","","","1.048","","","","has coordinates","178177","2020-10-21","18:00:00",""
"1542775","11.375","0.0006","22.5963","0.001","13.346","0.0007","90","","113.472","0.002","90","","3146.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Ag2 F14 N2 O4 -","- C28 H18 Ag2 F14 N2 O4 -","- C112 H72 Ag8 F56 N8 O16 -","4","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0825","0.0744","","","0.1842","0.1887","","","","","","1.117","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542776","27.578","0.003","9.267","0.001","21.211","0.002","90","","118.142","0.003","90","","4780","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 Ag2 F14 N2 O4 -","- C20 H8 Ag2 F14 N2 O4 -","- C160 H64 Ag16 F112 N16 O32 -","8","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.1218","0.0675","","","0.189","0.2299","","","","","","1.022","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542777","10.782","0.003","11.006","0.004","12.54","0.004","71.569","0.004","76.089","0.004","62.229","0.004","1241.4","0.7","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 Ag2 F14 N2 O4 -","- C20 H8 Ag2 F14 N2 O4 -","- C40 H16 Ag4 F28 N4 O8 -","2","1","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.1211","0.0804","","","0.2224","0.272","","","","","","1.051","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542778","10.6658","0.0015","11.2395","0.0014","14.325","0.002","72.054","0.002","86.608","0.003","83.149","0.003","1621.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62.275 H42.55 Ag4 F28 N4 O8 -","- C62.275 H42.55 Ag4 F28 N4 O8 -","- C62.275 H42.55 Ag4 F28 N4 O8 -","1","0.5","","Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee","Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers","IUCrJ","2015","2","2","188","197","10.1107/S2052252515000147","","","0.71073","MoKα","","0.0997","0.0709","","","0.1833","0.2074","","","","","","1.0196","","","","has coordinates,has disorder","178177","2020-10-21","18:00:00",""
"1542779","24.843","0.002","12.245","0.0011","15.7202","0.0014","90","","109.498","0.0016","90","","4507.9","0.7","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0371","","","0.0898","0.0981","","","","","","1.01","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542780","24.746","0.002","12.2117","0.001","15.6525","0.0013","90","","109.192","0.001","90","","4467.2","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0433","0.0323","","","0.0845","0.0912","","","","","","1.046","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542781","24.817","0.013","12.241","0.007","15.714","0.008","90","","109.39","0.011","90","","4503","4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0708","0.0573","","","0.1533","0.1662","","","","","","1.052","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542782","24.638","0.002","12.1718","0.001","15.5632","0.0013","90","","108.782","0.001","90","","4418.7","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0522","0.0448","","","0.1154","0.1224","","","","","","1.057","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542783","24.525","0.002","12.1433","0.0011","15.4964","0.0014","90","","108.492","0.001","90","","4376.8","0.7","95","2","95","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H42 N2 O8 Zn2 -","- C54 H42 N2 O8 Zn2 -","- C216 H168 N8 O32 Zn8 -","4","1","","Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J.","Second harmonic generation from the `centrosymmetric' crystals","IUCrJ","2015","2","3","317","321","10.1107/S2052252515002183","","","0.71073","MoKα","","0.0419","0.0372","","","0.0966","0.1012","","","","","","1.032","","","","has coordinates","178178","2020-10-21","18:00:00",""
"1542784","9.076","0.0013","8.9616","0.0013","22.501","0.003","90","","93.554","0.007","90","","1826.6","0.4","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C39 H46 N6 O7 -","- C39 H46 N6 O7 -","- C78 H92 N12 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0824","0.0579","","","0.1202","0.1304","","","","","","1.036","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542785","15.831","0.002","9.3122","0.0013","20.211","0.003","90","","104.415","0.007","90","","2885.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N4 O7 -","- C31 H34 N4 O7 -","- C124 H136 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1113","0.0628","","","0.1398","0.1626","","","","","","0.959","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542786","9.3506","0.0007","10.912","0.0008","13.002","0.001","76.798","0.005","84.048","0.006","81.58","0.006","1274.26","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0684","0.0523","","","0.1426","0.1587","","","","","","0.929","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542787","9.3202","0.001","10.7538","0.0012","12.9869","0.0014","79.471","0.006","85.133","0.006","82.377","0.006","1266","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O8 -","- C27 H30 N2 O8 -","- C54 H60 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0913","0.0698","","","0.187","0.2016","","","","","","1.055","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542788","9.8334","0.0007","10.7098","0.0008","13.079","0.0009","102.815","0.007","95.031","0.007","106.846","0.007","1268.3","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O9 -","- C29 H26 N2 O9 -","- C58 H52 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.045","0.04","","","0.1062","0.1097","","","","","","1.05","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542789","9.806","0.002","10.778","0.002","13.055","0.003","102.833","0.007","94.525","0.007","106.943","0.007","1271.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 N2 O8 -","- C29 H18 N2 O8 -","- C58 H36 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0952","0.0748","","","0.202","0.2137","","","","","","1.064","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542790","9.844","0.005","10.636","0.006","13.071","0.007","98.324","0.007","94.601","0.007","107.947","0.008","1276.9","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N3 O7 -","- C30 H22 N3 O7 -","- C60 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0523","0.0427","","","0.108","0.1137","","","","","","1.042","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542791","10.0222","0.0012","12.8756","0.0016","15.0597","0.0018","81.685","0.006","83.118","0.006","76.273","0.005","1860.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H36 N6 O8 -","- C45 H36 N6 O8 -","- C90 H72 N12 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0606","0.0452","","","0.1221","0.1343","","","","","","0.876","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542792","10.1899","0.0009","11.6532","0.0011","13.0214","0.0012","97.351","0.007","95.446","0.007","115.237","0.008","1367.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O9 -","- C31 H28 N2 O9 -","- C62 H56 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0773","0.0511","","","0.1199","0.1323","","","","","","1.022","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542793","10.0381","0.0007","11.5707","0.0008","13.0194","0.0009","76.744","0.005","84.502","0.006","65.573","0.005","1340.13","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0843","0.0566","","","0.1447","0.1618","","","","","","1.033","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542794","9.9867","0.0015","11.2949","0.0017","13.04","0.002","79.558","0.006","85.192","0.006","66.082","0.005","1322.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N3 O8 -","- C30 H26 N3 O8 -","- C60 H52 N6 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1143","0.0634","","","0.1516","0.1776","","","","","","1.021","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542795","18.0656","0.0011","11.6584","0.0006","16.661","0.001","90","","115.565","0.002","90","","3165.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N4 O7 -","- C39 H30 N4 O7 -","- C156 H120 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0621","0.0468","","","0.1089","0.1188","","","","","","1.039","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542796","21.831","0.005","12.904","0.003","15.876","0.004","90","","101.912","0.007","90","","4376.1","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O7 -","- C27 H20 N2 O7 -","- C216 H160 N16 O56 -","8","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0992","0.0545","","","0.1287","0.1497","","","","","","1.05","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542797","9.8782","0.0008","11.5881","0.001","13.041","0.001","76.595","0.005","85.792","0.006","67.035","0.005","1336.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N2 O8 -","- C31 H30 N2 O8 -","- C62 H60 N4 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0744","0.0544","","","0.1357","0.1479","","","","","","1.042","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542798","20.028","0.003","10.5025","0.0013","16.5786","0.0018","90","","108.851","0.004","90","","3300.2","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O7 -","- C39 H34 N4 O7 -","- C156 H136 N16 O28 -","4","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0689","0.045","","","0.1007","0.1133","","","","","","1.043","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542799","13.3624","0.0004","10.554","0.0004","32.5542","0.001","90","","95.517","0.003","90","","4569.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O7 -","- C27 H22 N2 O7 -","- C216 H176 N16 O56 -","8","2","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0818","0.053","","","0.1268","0.1499","","","","","","1.023","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542800","10.0918","0.0017","11.4244","0.0019","13.052","0.002","98.573","0.007","95.19","0.007","115.078","0.008","1327.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O8 -","- C29 H26 N4 O8 -","- C58 H52 N8 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1232","0.0898","","","0.2511","0.2647","","","","","","1.168","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542801","21.647","0.003","12.8623","0.0016","15.712","0.002","90","","101.543","0.007","90","","4286.2","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N4 O7 -","- C25 H18 N4 O7 -","- C200 H144 N32 O56 -","8","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0743","0.0517","","","0.1221","0.1362","","","","","","0.887","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542802","8.1859","0.0013","12.787","0.002","13.173","0.002","83.634","0.006","83.848","0.006","73.246","0.005","1308.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O9 -","- C31 H26 N2 O9 -","- C62 H52 N4 O18 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0697","0.0544","","","0.1369","0.1435","","","","","","1.075","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542803","8.416","0.003","12.297","0.004","13.111","0.004","87.1","0.006","84.103","0.006","73.503","0.005","1293.8","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O7 -","- C33 H22 N3 O7 -","- C66 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1894","0.0845","","","0.1788","0.2156","","","","","","0.987","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542804","9.9945","0.0003","13.4346","0.0004","17.822","0.0005","81.016","0.001","78.335","0.001","86.046","0.001","2313.09","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H42 N7 O8 -","- C58 H42 N7 O8 -","- C116 H84 N14 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.069","0.0456","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542805","9.48","0.0007","11.2614","0.0009","13.5129","0.001","104.785","0.004","108.855","0.004","90.687","0.004","1312.95","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O8 -","- C33 H22 N3 O8 -","- C66 H44 N6 O16 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0665","0.0456","","","0.1132","0.1226","","","","","","0.994","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542806","4.983","","15.381","","18.142","","112.21","","94.99","","94.92","","1271.77","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N3 O7 -","- C33 H22 N3 O7 -","- C66 H44 N6 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1155","0.0614","","","0.1293","0.1549","","","","","","0.966","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542807","9.8066","0.0009","10.4874","0.001","13.0073","0.0012","97.993","0.007","94.646","0.007","108.15","0.008","1247.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N2 O7 S -","- C29 H21 N2 O7 S -","- C58 H42 N4 O14 S2 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0718","0.0526","","","0.1323","0.1421","","","","","","1.056","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542808","12.547","0.002","13.299","0.002","18.49","0.003","94.246","0.007","90.204","0.006","98.776","0.007","3040.5","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H50 N6 O14 S6 -","- C69 H50 N6 O14 S6 -","- C138 H100 N12 O28 S12 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1023","0.0666","","","0.1658","0.1877","","","","","","1.029","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542809","9.974","","11.421","","13.009","","78.51","","85.22","","66.39","","1330.63","","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N2 O7 S -","- C29.9999 H20 N2 O7 S1.003 -","- C59.9998 H40 N4 O14 S2.006 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1182","0.0679","","","0.1742","0.202","","","","","","1.042","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542810","12.664","","13.235","","22.191","","104.03","","96.59","","104.04","","3440.59","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H63 N6 O14 -","- C90 H63 N6 O14 -","- C180 H126 N12 O28 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.1836","0.0804","","","0.1702","0.2131","","","","","","1.018","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542811","10.5919","0.0006","11.6067","0.0006","11.6919","0.0007","85.133","0.004","72.938","0.003","75.632","0.003","1331.01","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 N2 O7 -","- C34 H24 N2 O7 -","- C68 H48 N4 O14 -","2","1","","Dubey, Ritesh; Desiraju, Gautam R.","Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids","IUCrJ","2015","2","4","402","408","10.1107/S2052252515009884","","","0.71073","MoKα","","0.0759","0.0501","","","0.125","0.14","","","","","","1.039","","","","has coordinates","178180","2020-10-21","18:00:00",""
"1542812","7.2731","0.0004","15.9052","0.001","12.7766","0.0006","90","","99.291","0.005","90","","1458.61","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C48 H76 N12 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0508","0.0383","","","0.0932","0.0995","","","","","","1.017","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542813","7.302","0.0009","17.189","0.002","12.2835","0.0016","90","","106.76","0.002","90","","1476.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C52 H80 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0699","0.0597","","","0.1353","0.1419","","","","","","1.092","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542814","7.1564","0.0013","13.369","0.002","15.276","0.003","90","","90","","90","","1461.5","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.2263","0.0896","","","0.0874","0.1141","","","","","","0.968","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542815","7.0957","0.0006","13.128","0.0013","15.3425","0.0018","90","","90","","90","","1429.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C48 H76 N12 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1062","0.0529","","","0.0638","0.0796","","","","","","0.901","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542816","7.156","0.003","13.538","0.005","15.406","0.006","90","","90","","90","","1492.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br N2 O3 S -","- C12 H17 Br N2 O3 S -","- C48 H68 Br4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0557","0.0398","","","0.0858","0.0931","","","","","","1.025","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542817","5.3367","0.0006","15.9206","0.0017","16.07","0.003","90","","98.308","0.012","90","","1351","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1379","0.0645","","","0.093","0.1183","","","","","","1.019","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542818","9.8782","0.0006","14.172","0.0006","10.8753","0.0006","90","","112.85","0.007","90","","1403","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0454","0.0385","","","0.0975","0.1031","","","","","","1.093","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542819","7.07","0.0009","12.7624","0.0013","14.977","0.002","90","","90","","90","","1351.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1088","0.0777","","","0.1703","0.1806","","","","","","1.231","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542820","25.701","0.004","6.8096","0.0004","19.177","0.003","90","","127.4","0.02","90","","2666.2","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C88 H120 Cl8 N16 O24 S8 -","8","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.108","0.0595","","","0.1105","0.1344","","","","","","1.067","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542821","25.914","0.003","6.8687","0.0009","19.202","0.002","90","","126.873","0.002","90","","2734.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Br N2 O3 S -","- C11 H15 Br N2 O3 S -","- C88 H120 Br8 N16 O24 S8 -","8","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0468","0.0348","","","0.0877","0.0939","","","","","","1.029","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542822","5.21","0.003","8.449","0.004","16.104","0.008","82.894","0.008","82.798","0.008","81.772","0.008","692","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C24 H36 N4 O6 S2 -","2","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0734","0.0504","","","0.1391","0.1526","","","","","","1.042","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542823","10.521","0.002","13.7661","0.0012","10.3407","0.0016","90","","116.31","0.02","90","","1342.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C44 H60 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0618","0.0435","","","0.1052","0.1144","","","","","","0.983","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542824","7.1043","0.0005","12.7937","0.001","14.0302","0.0016","90","","90","","90","","1275.2","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C44 H64 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0543","0.0466","","","0.1138","0.1201","","","","","","1.059","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542825","19.6786","0.0011","22.7703","0.0013","14.8344","0.0009","90","","104.147","0.001","90","","6445.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-tetrakis(2,6-dimethyl-4-(?-carboxy)methoxyphenyl)pyrene","","- C65 H67 Mn2 N3 O17 -","- C65 H67 Mn2 N3 O17 -","- C260 H268 Mn8 N12 O68 -","4","1","","Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha","A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics","IUCrJ","2015","2","5","552","562","10.1107/S2052252515012506","","","0.71073","MoKα","","0.1754","0.1062","","","0.278","0.3136","","","","","","1.047","","","","has coordinates","178182","2020-10-21","18:00:00",""
"1542826","28.172","0.005","4.935","0.001","10.375","0.002","90","","90.3","0.01","90","","1442.4","0.5","120","","120","","","","","","","","Synthesized by Lee Brooks, Keele University","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.82","Synchrotron","","0.0853","0.0852","","0.0804","0.0804","0.0804","","","","","","0.9344","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1542827","18.43381","0.00043","7.175975","0.000086","11.02071","0.00026","90","","101.974","0.0028","90","","1426.1","0.05","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-13-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542828","16.00237","0.00029","7.154313","0.000081","12.40169","0.00026","90","","109.825","0.0015","90","","1335.67","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-11-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.79975","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542829","16.0129","0.00024","7.14458","0.000071","14.09635","0.00026","90","","118.06","0.00096","90","","1423.14","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-11-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542830","21.44393","0.00075","4.937406","0.000076","12.34557","0.0004","90","","105.625","0.0015","90","","1258.81","0.06","80","","80","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylpentacosane","","- C26 H54 -","- C26 H54 -","- C52 H108 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80025","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542831","23.4884","0.0013","4.93921","0.0001","12.33521","0.00059","90","","109.295","0.0024","90","","1350.68","0.1","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylheptacosane","","- C28 H58 -","- C28 H58 -","- C56 H116 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542832","25.6203","0.0018","4.93638","0.00018","12.32668","0.00091","90","","112.448","0.004","90","","1440.84","0.16","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542833","27.78145","0.00044","4.933812","0.00004","12.38987","0.00021","90","","115.68","0.00077","90","","1530.52","0.04","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-9-methylhentriacontane","","- C32 H66 -","- C32 H66 -","- C64 H132 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","269087","2021-09-10","11:46:11",""
"1542834","28.09291","0.00037","4.932501","0.000029","10.36893","0.00012","90","","90.4059","0.00059","90","","1436.77","0.03","100","","100","","","","","","","","","2","P 1 21 1","P 2yb","4","","(<i>S</i>)-7-methylnonacosane","","- C30 H62 -","- C30 H62 -","- C60 H124 -","2","1","","Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew","Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization","IUCrJ","2015","2","5","490","497","10.1107/S2052252515010271","","","0.80105","SynchrotronID31atESRF","","","","","","","","","","","","","","","","","has coordinates","178183","2020-10-21","18:00:00",""
"1542835","11.216","0.006","8.214","0.006","14.073","0.012","90","","128.86","0.03","90","","1009.6","1.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.","Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion","IUCrJ","2015","2","6","653","660","10.1107/S2052252515017297","","","0.71073","MoKα","","0.0465","0.0434","","","0.1236","0.1267","","","","","","1.081","","","","has coordinates","178184","2020-10-21","18:00:00",""
"1542836","5.54","0.004","8.259","0.005","11.281","0.009","83.61","0.02","83.275","0.017","74.48","0.02","492.2","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C22 H24 O8 -","1","0.5","","Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R.","Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion","IUCrJ","2015","2","6","653","660","10.1107/S2052252515017297","","","0.71073","MoKα","","0.0447","0.039","","","0.1072","0.1252","","","","","","1.126","","","","has coordinates","178184","2020-10-21","18:00:00",""
"1542837","21.1854","0.0015","7.0826","0.0005","10.0747","0.0007","90","","98.208","0.002","90","","1496.2","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C68 H60 B4 F8 O16 -","4","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","","0.71073","MoKα","","0.0359","0.0327","","","0.0924","0.0948","","","","","","1.081","","","","has coordinates","178185","2020-10-21","18:00:00",""
"1542838","8.0234","0.0007","9.0901","0.0008","10.7916","0.0008","75.514","0.007","80.766","0.007","69.797","0.008","712.78","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 B F2 O3 -","- C16 H13 B F2 O3 -","- C32 H26 B2 F4 O6 -","2","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","x-ray","0.71073","MoKα","","0.0779","0.0566","","","0.1235","0.1362","","","","","","1.04","","","","has coordinates","178185","2020-10-21","18:00:00",""
"1542839","28.575","0.004","7.0402","0.0009","10.3208","0.0013","90","","102.92","0.003","90","","2023.7","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 B F2 O2 -","- C23 H27 B F2 O2 -","- C92 H108 B4 F8 O8 -","4","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla","Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives","IUCrJ","2015","2","6","611","619","10.1107/S2052252515015134","","","0.71073","MoKα","","0.0413","0.0348","","","0.0946","0.1003","","","","","","1.0546","","","","has coordinates","178185","2020-10-21","18:00:00",""
"1543882","5.4615","0.0013","7.747","0.0008","5.462","0.0011","90","","90","","90","","231.1","0.08","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","- Ca2.8 Cr1.2 Fe2.8 La1.2 O12 -","1","0.125","","Molero-Sánchez, Beatriz; Prado-Gonjal, Jesús; Ávila-Brande, David; Birss, Viola; Morán, Emilio","Microwave-assisted synthesis and characterization of new cathodic material for solid oxide fuel cells: La0.3Ca0.7Fe0.7Cr0.3O3−δ","Ceramics International","2015","41","7","8411","","10.1016/j.ceramint.2015.03.041","powder diffraction","","","X-ray","","","","","","","","","3.1713","","","","","","","","has coordinates","190406","2020-10-21","18:00:00",""
"1544474","4.9329","0.0003","8.5351","0.0004","5.026","0.0003","90","","109.314","0.003","90","","199.7","0.02","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Li2MnO3","","","- Li2 Mn O3 -","- Li2.66 Mn1.34 O4 -","- Li7.98 Mn4.02 O12 -","3","0.375","","Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T.","Structural variation of Li2MnO3 during charge-discharge cycling","Journal of the Ceramic Society of Japan","2015","123","","589","594","","","","","","","","","","","","","","","","","","","","","","has coordinates","187821","2020-10-21","18:00:00",""
"1544863","14.9424","0.0019","10.6332","0.0015","7.0365","0.0008","90","","90","","90","","1118","0.2","","","","","","","","","","","","8","C m c m","-C 2c 2","63","Y4Ti(SiO4)2O[F,OH]6","","mieite-(Y)","- Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 -","- Al0.45 Dy0.92 F5.55 O9 Si2 Ti0.55 Y3.08 -","- Al1.8 Dy3.68 F22.2 O36 Si8 Ti2.2 Y12.32 -","4","0.25","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S.","Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: not annealed","Journal of Mineralogical and Petrological Sciences","2015","110","","135","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","189378","2020-10-21","18:00:00",""
"1544864","14.934","0.013","10.53","0.009","6.952","0.006","90","","90","","90","","1093.2","1.6","","","","","","","","","","","","8","C m c m","-C 2c 2","63","Y4Ti(SiO4)2O[F,OH]6 annealed","","mieite-(Y) annealed","- Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 -","- Al0.45 Dy0.92 F5.55 O9 Si2 Ti0.55 Y3.08 -","- Al1.8 Dy3.68 F22.2 O36 Si8 Ti2.2 Y12.32 -","4","0.25","","Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S.","Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: annealed at 810 C","Journal of Mineralogical and Petrological Sciences","2015","110","","135","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","189379","2020-10-21","18:00:00",""
"1544909","3.7742","0.0009","3.7742","0.0009","12.753","0.004","90","","90","","90","","181.66","0.08","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","La2Li0.5Al0.5O4","","La2Li0.5Al0.5O4 with K2NiF4 structure","- Al0.5 La2 Li0.5 O4 -","- Al0.5 La2 Li0.5 O4 -","- Al La4 Li O8 -","2","0.0625","","Hamao, N.; Kataoka, K.; Akimoto, J.","Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure","Journal of Asian Ceramic Societies","2015","3","","301","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","189473","2020-10-21","18:00:00",""
"1544912","9.3641","0.0007","9.3641","0.0007","4.9523","0.0003","90","","90","","120","","376.07","0.05","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","CdBi2O6","","CdBi2O6","- Bi2 Cd O6 -","- Bi1.5 Cd0.75 O4.5 -","- Bi6 Cd3 O18 -","4","0.666667","","Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.","Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances","Journal of Asian Ceramic Societies","2015","3","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189490","2020-10-21","18:00:00",""
"1544913","5.411","0.0004","5.411","0.0004","5.411","0.0004","90","","90","","90","","158.43","0.02","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cd0.37Bi0.63O1.79","","Cd0.37Bi0.63O1.79","- Bi0.63 Cd0.37 O1.79 -","- Bi0.63 Cd0.37 O1.79 -","- Bi2.52 Cd1.48 O7.16 -","4","0.0208333","","Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.","Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79","Journal of Asian Ceramic Societies","2015","3","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189491","2020-10-21","18:00:00",""
"1547211","11.198","0.0005","12.291","0.0008","13.361","0.0004","93.151","0.005","97.65","0.003","92.66","0.004","1817.13","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder","Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives","Chemistry Central Journal","2015","9","","17","","10.1186/s13065-015-0094-3","","","0.71073","MoKα","","0.1369","0.0595","","","0.1687","0.1912","","","","","","0.957","","","","has coordinates","200976","2020-10-21","18:00:00",""
"1547212","9.1789","0.0006","12.7776","0.0009","16.0615","0.001","89.255","0.004","86.758","0.004","70.507","0.004","1772.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","2","","Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder","Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives","Chemistry Central Journal","2015","9","","17","","10.1186/s13065-015-0094-3","","","0.71073","MoKα","","0.1163","0.057","","","0.1479","0.1919","","","","","","0.997","","","","has coordinates,has disorder","200977","2020-10-21","18:00:00",""
"1547278","9.361","0.0004","8.3498","0.0003","16.7159","0.0008","90","","106.31","0.005","90","","1253.98","0.1","150","2","150","2","","","","","","","Hydrothermal method","5","P 1 21/n 1","-P 2yn","14","Samariume(III) pyridine 2,5 dicarboxylate","","","- C7 H3 N2 O9 Sm -","- C7 H3 N2 O9 Sm -","- C28 H12 N8 O36 Sm4 -","4","1","","KRANTHI KUMAR GANGU; ANIMA S DADHICH; SARATCHANDRA BABU MUKKAMALA","Hydrothermal synthesis, crystal structure and luminescence property of a three dimensional Sm(III) coordination polymer with 2,5-pyridinedicarboxylic acid","Journal of Chemical Sciences","2015","127","","2225","2230","10.1007/s12039-015-0985-9","","","1.5418","CuK\?","","0.0546","0.0543","","","0.1653","0.1656","","","","","","1.176","","","","has coordinates,has disorder","201110","2020-10-21","18:00:00",""
"1547408","14.4393","0.0007","8.1764","0.0004","21.7395","0.0013","90","","90","","90","","2566.6","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0571","0.0399","","","0.0856","0.0907","","","","","","1.185","","","","has coordinates","201410","2020-10-21","18:00:00",""
"1547409","14.4687","0.0006","8.1829","0.0009","21.8084","0.0004","90","","90","","90","","2582","0.3","175","0.2","175","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0797","0.0499","","","0.0873","0.0959","","","","","","0.97","","","","has coordinates","201411","2020-10-21","18:00:00",""
"1547410","14.4829","0.0006","8.1938","0.0003","21.8441","0.0009","90","","90","","90","","2592.24","0.18","200","0.1","200","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C8 H8.72727 N2.90909 O1.45455 S0.727273 -","- C88 H96 N32 O16 S8 -","11","2.75","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0697","0.0456","","","0.0789","0.09","","","","","","0.976","","","","has coordinates","201412","2020-10-21","18:00:00",""
"1547411","14.4899","0.0005","8.2086","0.0004","21.9106","0.0009","90","","90","","90","","2606.09","0.19","250","0.2","250","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C12.5714 H13.7143 N4.57143 O2.28571 S1.14286 -","- C88 H96 N32 O16 S8 -","7","1.75","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0643","0.0421","","","0.0721","0.0817","","","","","","0.96","","","","has coordinates","201413","2020-10-21","18:00:00",""
"1547412","14.4902","0.0009","8.2249","0.0006","22.0106","0.0014","90","","90","","90","","2623.2","0.3","293","0.2","293","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0773","0.0487","","","0.0926","0.111","","","","","","0.95","","","","has coordinates","201414","2020-10-21","18:00:00",""
"1547413","14.4588","0.0001","8.18","0.0001","21.7664","0.0002","90","","90","","90","","2574.38","0.04","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0524","0.0433","","","0.1051","0.1141","","","","","","1.054","","","","has coordinates","201415","2020-10-21","18:00:00",""
"1547414","14.4597","0.0001","8.1802","0.0001","21.7812","0.0002","90","","90","","90","","2576.35","0.04","160","","160","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0533","0.044","","","0.107","0.1156","","","","","","1.068","","","","has coordinates","201416","2020-10-21","18:00:00",""
"1547415","14.4638","0.0001","8.1835","0.0001","21.7953","0.0002","90","","90","","90","","2579.79","0.04","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0539","0.0443","","","0.1097","0.1175","","","","","","1.071","","","","has coordinates","201417","2020-10-21","18:00:00",""
"1547416","14.4666","0.0001","8.1868","0.0001","21.8103","0.0002","90","","90","","90","","2583.11","0.04","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0549","0.0444","","","0.1063","0.1145","","","","","","1.027","","","","has coordinates","201418","2020-10-21","18:00:00",""
"1547417","14.4701","0.0001","8.1889","0.0001","21.8216","0.0004","90","","90","","90","","2585.73","0.06","190","","190","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0626","0.0481","","","0.1118","0.1319","","","","","","1.076","","","","has coordinates","201419","2020-10-21","18:00:00",""
"1547418","14.4734","0.0001","8.1921","0.0001","21.8397","0.0003","90","","90","","90","","2589.48","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.057","0.0451","","","0.1075","0.1178","","","","","","1.032","","","","has coordinates","201420","2020-10-21","18:00:00",""
"1547419","14.4763","0.0002","8.1946","0.0001","21.8522","0.0004","90","","90","","90","","2592.27","0.07","210","","210","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0676","0.0505","","","0.1157","0.1389","","","","","","1.09","","","","has coordinates","201421","2020-10-21","18:00:00",""
"1547420","14.4795","0.0001","8.1974","0.0001","21.8693","0.0003","90","","90","","90","","2595.76","0.05","220","","220","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0595","0.0453","","","0.1081","0.1195","","","","","","1.022","","","","has coordinates","201422","2020-10-21","18:00:00",""
"1547421","14.4814","0.0001","8.1993","0.0001","21.8844","0.0003","90","","90","","90","","2598.5","0.05","230","","230","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0463","","","0.1094","0.1215","","","","","","1.023","","","","has coordinates","201423","2020-10-21","18:00:00",""
"1547422","14.4852","0.0001","8.202","0.0001","21.9002","0.0003","90","","90","","90","","2601.91","0.05","240","","240","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0644","0.0473","","","0.1115","0.125","","","","","","1.035","","","","has coordinates","201424","2020-10-21","18:00:00",""
"1547423","14.4884","0.0001","8.2048","0.0001","21.9167","0.0003","90","","90","","90","","2605.34","0.05","250","","250","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.066","0.0477","","","0.1115","0.1247","","","","","","1.027","","","","has coordinates","201425","2020-10-21","18:00:00",""
"1547424","14.4914","0.0001","8.2069","0.0001","21.9332","0.0003","90","","90","","90","","2608.5","0.05","260","","260","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0674","0.0476","","","0.1103","0.1257","","","","","","1.015","","","","has coordinates","201426","2020-10-21","18:00:00",""
"1547425","14.495","0.0001","8.2094","0.0001","21.9489","0.0003","90","","90","","90","","2611.81","0.05","270","","270","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0702","0.0487","","","0.1123","0.1292","","","","","","1.031","","","","has coordinates","201427","2020-10-21","18:00:00",""
"1547426","14.4973","0.0002","8.2118","0.0001","21.9658","0.0003","90","","90","","90","","2615","0.06","280","","280","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0722","0.0493","","","0.1132","0.1301","","","","","","1.025","","","","has coordinates","201428","2020-10-21","18:00:00",""
"1547427","14.5008","0.0002","8.2141","0.0001","21.9821","0.0004","90","","90","","90","","2618.31","0.07","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0753","0.0501","","","0.1152","0.133","","","","","","1.032","","","","has coordinates","201429","2020-10-21","18:00:00",""
"1547428","14.504","0.0002","8.2162","0.0001","21.9984","0.0004","90","","90","","90","","2621.5","0.07","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0774","0.0498","","","0.1382","0.1661","","","","","","0.933","","","","has coordinates","201430","2020-10-21","18:00:00",""
"1547429","9.0785","0.0002","11.5265","0.0003","22.8581","0.0006","90","","90","","90","","2391.95","0.1","149.4","0.9","149.4","0.9","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.043","0.0362","","","0.0964","0.1012","","","","","","1.096","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547430","9.0963","0.0002","11.5574","0.0003","22.8612","0.0007","90","","90","","90","","2403.39","0.11","174.9","0.3","174.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0374","","","0.0962","0.1021","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547431","9.0885","0.0006","11.5482","0.0007","22.7898","0.0012","90","","90","","90","","2391.9","0.2","184.9","0.1","184.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0534","0.0399","","","0.0932","0.1003","","","","","","1.064","","","","has coordinates","201433","2020-10-21","18:00:00",""
"1547432","9.0907","0.0003","11.5779","0.0004","22.8104","0.0007","90","","90","","90","","2400.82","0.14","199","0.1","199","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0373","","","0.0954","0.1017","","","","","","1.029","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547433","9.1074","0.0003","11.6193","0.0005","22.8456","0.0009","90","","90","","90","","2417.56","0.16","229.9","0.1","229.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0635","0.0435","","","0.1001","0.1113","","","","","","1.08","","","","has coordinates","201435","2020-10-21","18:00:00",""
"1547434","9.1228","0.0004","11.6522","0.0006","22.8488","0.001","90","","90","","90","","2428.8","0.2","260","0.1","260","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0661","0.0449","","","0.1015","0.1148","","","","","","1.088","","","","has coordinates","201436","2020-10-21","18:00:00",""
"1547435","9.1349","0.0003","11.6868","0.0004","22.866","0.0008","90","","90","","90","","2441.12","0.14","298","0.1","298","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0597","0.043","","","0.1031","0.1136","","","","","","1.016","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547436","9.0823","0.0003","11.5422","0.0002","22.8439","0.0003","90","","90","","90","","2394.72","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0614","0.044","","","0.1026","0.1132","","","","","","1.001","","","","has coordinates","201438","2020-10-21","18:00:00",""
"1547437","9.0881","0.0003","11.5538","0.0002","22.8478","0.0003","90","","90","","90","","2399.07","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0441","","","0.1028","0.1149","","","","","","1","","","","has coordinates","201439","2020-10-21","18:00:00",""
"1547438","9.0992","0.0004","11.5635","0.0003","22.8525","0.0006","90","","90","","90","","2404.51","0.14","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0882","0.0586","","","0.1357","0.1542","","","","","","1.09","","","","has coordinates","201440","2020-10-21","18:00:00",""
"1547439","9.0972","0.0002","11.5751","0.0002","22.8531","0.0003","90","","90","","90","","2406.45","0.07","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0653","0.0458","","","0.1047","0.1175","","","","","","0.992","","","","has coordinates","201441","2020-10-21","18:00:00",""
"1547440","9.1048","0.0003","11.5802","0.0003","22.8576","0.0006","90","","90","","90","","2410","0.12","185","","185","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0902","0.0578","","","0.1234","0.1463","","","","","","0.979","","","","has coordinates","201442","2020-10-21","18:00:00",""
"1547441","9.1064","0.0003","11.5845","0.0003","22.8569","0.0006","90","","90","","90","","2411.25","0.12","190","","190","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0879","0.0567","","","0.1242","0.1458","","","","","","0.985","","","","has coordinates","201443","2020-10-21","18:00:00",""
"1547442","9.107","0.0003","11.5902","0.0003","22.8593","0.0006","90","","90","","90","","2412.84","0.12","195","","195","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0932","0.0613","","","0.1359","0.1578","","","","","","1.042","","","","has coordinates","201444","2020-10-21","18:00:00",""
"1547443","9.1066","0.0002","11.5983","0.0002","22.8627","0.0003","90","","90","","90","","2414.78","0.07","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0673","0.0478","","","0.1107","0.1231","","","","","","1.001","","","","has coordinates","201445","2020-10-21","18:00:00",""
"1547444","9.1158","0.0002","11.6222","0.0002","22.8715","0.0003","90","","90","","90","","2423.14","0.07","220","","220","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0691","0.0459","","","0.1065","0.1211","","","","","","0.974","","","","has coordinates","201446","2020-10-21","18:00:00",""
"1547445","9.12","0.0003","11.6339","0.0003","22.8697","0.0004","90","","90","","90","","2426.5","0.11","230","","230","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0842","0.0545","","","0.1199","0.14","","","","","","0.992","","","","has coordinates","201447","2020-10-21","18:00:00",""
"1547446","9.1237","0.0002","11.6442","0.0002","22.8738","0.0004","90","","90","","90","","2430.07","0.08","240","","240","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.072","0.0482","","","0.1087","0.1244","","","","","","0.971","","","","has coordinates","201448","2020-10-21","18:00:00",""
"1547447","9.128","0.0003","11.6579","0.0003","22.8759","0.0005","90","","90","","90","","2434.3","0.11","250","","250","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0868","0.0538","","","0.118","0.1449","","","","","","0.996","","","","has coordinates","201449","2020-10-21","18:00:00",""
"1547448","9.1311","0.0003","11.6667","0.0002","22.88","0.0004","90","","90","","90","","2437.4","0.1","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0767","0.0506","","","0.114","0.1323","","","","","","0.986","","","","has coordinates","201450","2020-10-21","18:00:00",""
"1547449","9.1357","0.0003","11.6782","0.0003","22.8834","0.0006","90","","90","","90","","2441.4","0.12","270","","270","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0942","0.0586","","","0.1357","0.1591","","","","","","1.038","","","","has coordinates","201451","2020-10-21","18:00:00",""
"1547450","9.1405","0.0003","11.6923","0.0002","22.8838","0.0004","90","","90","","90","","2445.67","0.1","280","","280","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0907","0.0605","","","0.1339","0.1558","","","","","","1.04","","","","has coordinates","201452","2020-10-21","18:00:00",""
"1547451","9.1415","0.0004","11.7002","0.0004","22.8837","0.0006","90","","90","","90","","2447.58","0.15","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.1078","0.068","","","0.1474","0.1753","","","","","","1.064","","","","has coordinates","201453","2020-10-21","18:00:00",""
"1547452","9.1445","0.0003","11.713","0.0003","22.8862","0.0005","90","","90","","90","","2451.33","0.12","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0971","0.0635","","","0.1419","0.1646","","","","","","1.037","","","","has coordinates","201454","2020-10-21","18:00:00",""
"1548032","9.6767","0.0014","9.6767","0.0014","20.172","0.003","90","","90","","120","","1635.8","0.4","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5 H7 N8 O0.5 Zn -","- C5 H7 N8 O0.5 Zn -","- C30 H42 N48 O3 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.041","0.0369","","","0.095","0.0994","","","","","","1.051","","","","has coordinates","203157","2020-10-21","18:00:00",""
"1548033","9.6963","0.0015","9.6963","0.0015","20.126","0.003","90","","90","","120","","1638.7","0.4","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5 H6 N8 Zn -","- C5 H6 N8 Zn -","- C30 H36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.019","0.0186","","","0.0489","0.0491","","","","","","1.003","","","","has coordinates","203158","2020-10-21","18:00:00",""
"1548034","9.663","0.003","9.663","0.003","20.224","0.005","90","","90","","120","","1635.4","0.8","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.7 H8.09 N8 Zn -","- C5.698 H8.094 N8 Zn -","- C34.188 H48.564 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0546","0.0448","","","0.1117","0.1203","","","","","","1.008","","","","has coordinates,has disorder","203159","2020-10-21","18:00:00",""
"1548035","9.6896","0.0016","9.6896","0.0016","20.153","0.004","90","","90","","120","","1638.6","0.5","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.78 H7.56 N8 Zn -","- C5.78 H7.56 N8 Zn -","- C34.68 H45.36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0343","0.0337","","","0.1023","0.1028","","","","","","1.059","","","","has coordinates","203160","2020-10-21","18:00:00",""
"1548036","9.7682","0.0015","9.7682","0.0015","20.1","0.004","90","","90","","120","","1660.9","0.5","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5.13 H6 N8 O0.27 Zn -","- C5.1355 H6 N8 O0.271 Zn -","- C30.813 H36 N48 O1.626 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0432","0.0422","","","0.1304","0.1313","","","","","","1.052","","","","has coordinates","203161","2020-10-21","18:00:00",""
"1548069","25.1999","0.0016","15.4651","0.0016","24.792","0.002","90","","112.931","0.007","90","","8898.4","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ga(Bipy)3][Al(OC(CF3)3)4]","","","- C68 H27 Al2 F73.75 Ga N6 O8 -","- C67.9992 H27 Al2 F73.7562 Ga N6 O7.9998 -","- C271.997 H108 Al8 F295.025 Ga4 N24 O31.9992 -","4","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1021","0.0752","","","0.1864","0.2063","","","","","","1.017","","","","has coordinates,has disorder","203252","2020-10-21","18:00:00",""
"1548070","22.4009","0.0011","30.7088","0.0016","20.4177","0.001","90","","95.459","0.002","90","","13981.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In3(BIPY)6][Al(OC(CF3)3)4]3","","- C108 H48 Al3 F108 In3 N12 O12 -","- C108 H48 Al3 F108.001 In3 N12 O12.0001 -","- C432.002 H192 Al12 F432.004 In12 N48 O48.0004 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.0755","0.068","","","0.1492","0.153","","","","","","1.204","","","","has coordinates,has disorder","203253","2020-10-21","18:00:00",""
"1548071","16.2891","0.0006","25.6709","0.0009","33.2531","0.0012","89.47","0.002","87.358","0.002","81.522","0.002","13738.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[In3(BIPY)5][Al(OC(CF3)3)4]3","","","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","1","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1043","0.0655","","","0.1519","0.1709","","","","","","1.024","","","","has coordinates,has disorder","203254","2020-10-21","18:00:00",""
"1548072","34.744","0.005","34.792","0.005","37.21","0.005","106.127","0.004","101.609","0.004","118.938","0.003","34671","9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[In4(BIPY)6][Al(OC(CF3)3)4]4","","- C124 H48 Al4 F144 In4 N12 O16 -","- C124 H48 Al4 F144 In4 N12 O16 -","- C992 H384 Al32 F1152 In32 N96 O128 -","8","4","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.155","0.074","","","0.1691","0.2157","","","","","","1.078","","","","has coordinates,has disorder","203255","2020-10-21","18:00:00",""
"1548073","20.2872","0.0005","28.7711","0.0007","19.7149","0.0006","90","","117.303","0.0013","90","","10225.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In4(PHEN)6][Al(OC(CF3)3)4]4","","- C86 H39 Al2 F75 In2 N6 O8 -","- C86 H39 Al2 F75 In2 N6 O8 -","- C344 H156 Al8 F300 In8 N24 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1347","0.09","","","0.2232","0.2524","","","","","","1.272","","","","has coordinates,has disorder","203256","2020-10-21","18:00:00",""
"1548074","16.4785","0.0008","23.7211","0.0012","25.2293","0.0013","90","","97.519","0.003","90","","9777","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[In(Phen)2Ag(C6H5F)][Al(OC(CF3)3)4]2","","- C80 H36 Ag Al2 F76 In N4 O8 -","- C80 H36 Ag Al2 F76 In N4 O8 -","- C320 H144 Ag4 Al8 F304 In4 N16 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.058","0.0363","","","0.0796","0.0898","","","","","","1.023","","","","has coordinates,has disorder","203257","2020-10-21","18:00:00",""
"1548158","21.7729","0.0008","10.4524","0.0009","9.7642","0.0003","90","","88.212","0.003","90","","2221","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0721","0.0533","","","0.1399","0.1554","","","","","","1.047","","","","has coordinates,has disorder","203476","2020-10-21","18:00:00",""
"1548159","11.2235","0.0003","9.8526","0.0002","20.7922","0.0005","90","","88.74","0.001","90","","2298.66","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0639","0.0517","","","0.1452","0.1564","","","","","","1.031","","","","has coordinates,has disorder","203477","2020-10-21","18:00:00",""
"1548160","11.181","0.015","9.809","0.013","20.71","0.03","90","","88.545","0.013","90","","2271","5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0719","0.05","","","0.1254","0.1397","","","","","","1.028","","","","has coordinates,has disorder","203478","2020-10-21","18:00:00",""
"1548161","10.697","0.002","9.84","0.002","20.854","0.004","90","","90.15","0.03","90","","2195.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","1.54178","CuKα","","0.0454","0.0391","","","0.0986","0.1037","","","","","","1.052","","","","has coordinates","203479","2020-10-21","18:00:00",""
"1548166","9.8533","0.0013","25.995","0.003","8.1782","0.001","90","","100.741","0.002","90","","2058","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0739","0.0728","","","0.1645","0.1663","","","","","","1.31","","","","has coordinates,has disorder","203484","2020-10-21","18:00:00",""
"1548167","9.865","0.002","25.934","0.006","8.172","0.002","90","","100.762","0.003","90","","2053.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0428","0.0323","","","0.0847","0.0888","","","","","","0.97","","","","has coordinates,has disorder","203485","2020-10-21","18:00:00",""
"1548168","9.8591","0.0012","26.027","0.003","8.1886","0.001","90","","100.676","0.003","90","","2064.8","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0897","0.0691","","","0.1238","0.1317","","","","","","1.18","","","","has coordinates,has disorder","203486","2020-10-21","18:00:00",""
"1548169","9.801","0.002","27.12","0.005","7.7592","0.0016","90","","101.09","0.03","90","","2023.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.0804","0.0533","","","0.1173","0.1332","","","","","","1.011","","","","has coordinates","203487","2020-10-21","18:00:00",""
"1548170","9.915","0.002","26.133","0.005","8.3197","0.0017","90","","101.9","0.03","90","","2109.4","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.1151","0.0579","","","0.1256","0.1578","","","","","","1.038","","","","has coordinates,has disorder","203488","2020-10-21","18:00:00",""
"1548171","9.86","0.004","25.836","0.01","8.226","0.003","90","","102.973","0.01","90","","2042","1.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1006","0.059","","","0.1212","0.1424","","","","","","1.022","","","","has coordinates","203489","2020-10-21","18:00:00",""
"1548172","9.871","0.002","26.022","0.006","8.286","0.002","90","","101.902","0.006","90","","2082.6","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1261","0.0599","","","0.1338","0.17","","","","","","1.062","","","","has coordinates,has disorder","203490","2020-10-21","18:00:00",""
"1548173","9.699","0.003","27.857","0.009","7.707","0.002","90","","101.44","0.009","90","","2040.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Co N7 O8 -","- C17 H19 Co N7 O8 -","- C68 H76 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.06","0.0426","","","0.0816","0.0898","","","","","","1.043","","","","has coordinates","203491","2020-10-21","18:00:00",""
"1548174","8.037","0.0016","15.043","0.003","18.574","0.004","90.537","0.006","94.769","0.005","92.761","0.004","2235","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Co N7 O9 -","- C18 H23 Co N7 O9 -","- C72 H92 Co4 N28 O36 -","4","2","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0479","0.0406","","","0.0936","0.0983","","","","","","1.095","","","","has coordinates","203492","2020-10-21","18:00:00",""
"1548175","11","0.002","16.03","0.003","15.347","0.003","90","","106.744","0.005","90","","2591.4","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Co N7 O8 -","- C22 H29 Co N7 O8 -","- C88 H116 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0906","0.0833","","","0.1951","0.2006","","","","","","1.116","","","","has coordinates","203493","2020-10-21","18:00:00",""
"1548176","9.849","0.0011","25.942","0.003","8.161","0.0009","90","","100.764","0.002","90","","2048.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0344","0.0335","","","0.0838","0.0845","","","","","","1.081","","","","has coordinates,has disorder","203494","2020-10-21","18:00:00",""
"1548177","9.8458","0.0015","25.898","0.004","8.1434","0.0014","90","","100.839","0.003","90","","2039.4","0.6","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0319","0.031","","","0.08","0.0808","","","","","","1.062","","","","has coordinates,has disorder","203495","2020-10-21","18:00:00",""
"1548178","9.7984","0.0018","27.41","0.005","7.6404","0.0016","90","","100.082","0.004","90","","2020.3","0.7","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0321","0.0309","","","0.0767","0.0776","","","","","","1.086","","","","has coordinates","203496","2020-10-21","18:00:00",""
"1548179","9.7948","0.0018","27.435","0.005","7.5979","0.0015","90","","100.265","0.005","90","","2009","0.7","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0578","0.047","","","0.1466","0.2094","","","","","","1.192","","","","has coordinates","203497","2020-10-21","18:00:00",""
"1548180","9.794","0.003","27.475","0.009","7.548","0.003","90","","100.433","0.008","90","","1997.5","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0315","0.0301","","","0.0719","0.0728","","","","","","1.053","","","","has coordinates","203498","2020-10-21","18:00:00",""
"1548181","9.796","0.002","27.433","0.006","7.5962","0.0017","90","","100.288","0.005","90","","2008.5","0.8","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0351","0.0328","","","0.081","0.0869","","","","","","1.127","","","","has coordinates","203499","2020-10-21","18:00:00",""
"1548182","9.804","0.004","27.417","0.01","7.659","0.003","90","","100.03","0.005","90","","2027.2","1.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0413","0.0321","","","0.0842","0.0873","","","","","","0.972","","","","has coordinates","203500","2020-10-21","18:00:00",""
"1548183","9.8515","0.0018","25.892","0.005","8.1511","0.0015","90","","100.82","0.002","90","","2042.2","0.7","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0394","0.0308","","","0.0814","0.0845","","","","","","1.02","","","","has coordinates,has disorder","203501","2020-10-21","18:00:00",""
"1548184","8.197","0.0005","24.7447","0.0018","11.5021","0.001","90","","94.741","0.007","90","","2325","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy P -","- C27 H34 Dy P -","- C108 H136 Dy4 P4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0487","0.0382","","","0.0841","0.0932","","","","","","1.039","","","","has coordinates,has disorder","203520","2020-10-21","18:00:00",""
"1548185","14.8907","0.0006","18.6253","0.0008","23.5996","0.0009","90","","103.258","0.004","90","","6370.8","0.5","150.06","0.14","150.06","0.14","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H83 Dy3 P3 -","- C70 H83 Dy3 P3 -","- C280 H332 Dy12 P12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.066","0.057","","","0.1221","0.1307","","","","","","1.063","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1548186","22.321","0.0005","15.7702","0.0003","27.9921","0.0007","90","","95.319","0.002","90","","9811","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C194 H286 Dy6 Li O17 P6 -","- C194 H286 Dy6 Li6 O17 P6 -","- C388 H572 Dy12 Li12 O34 P12 -","2","0.5","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0592","0.0433","","","0.0997","0.1099","","","","","","1.031","","","","has coordinates,has disorder","203522","2020-10-21","18:00:00",""
"1548187","8.179","0.0006","24.6788","0.0018","11.5031","0.001","90","","94.707","0.006","90","","2314","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 P Y -","- C27 H34 P Y -","- C108 H136 P4 Y4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0971","0.0529","","","0.1082","0.1415","","","","","","1.028","","","","has coordinates,has disorder","203523","2020-10-21","18:00:00",""
"1548188","11.6328","0.0004","25.0914","0.001","21.5705","0.0007","90","","91.002","0.003","90","","6295.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H83 P3 Y3 -","- C70 H83 P3 Y3 -","- C280 H332 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0937","0.057","","","0.1423","0.1604","","","","","","1.039","","","","has coordinates,has disorder","203524","2020-10-21","18:00:00",""
"1548189","22.3184","0.001","15.7523","0.001","27.9702","0.0014","90","","95.358","0.004","90","","9790.4","0.9","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H147 Li3 O9 P3 Y3 -","- C99 H147 Li3 O9 P3 Y3 -","- C396 H588 Li12 O36 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.1366","0.0607","","","0.0881","0.108","","","","","","0.992","","","","has coordinates,has disorder","203525","2020-10-21","18:00:00",""
"1548203","11.8381","0.0009","13.3788","0.001","15.1601","0.0011","91.0206","0.0012","95.2167","0.0012","103.108","0.0012","2327","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Americium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H15 Am N3 O13.5 -","- C21 H12 Am N3 O13.5 -","- C84 H48 Am4 N12 O54 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0494","0.0338","","","0.071","0.0764","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548204","11.8146","0.001","13.3852","0.0012","15.1717","0.0013","90.9375","0.0017","95.3161","0.0017","103.111","0.0017","2324.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Curium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cm N3 O13.3 -","- C21 H12 Cm N3 O13.3 -","- C84 H48 Cm4 N12 O53.2 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0497","0.0306","","","0.0592","0.0645","","","","","","1.018","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548205","11.7542","0.0004","13.4315","0.0005","15.1978","0.0006","91.118","0.0012","95.911","0.0011","103.107","0.0012","2322.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Californium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cf N3 O13 -","- C21 H12 Cf N3 O13 -","- C84 H48 Cf4 N12 O52 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0503","0.0386","","","0.0896","0.0943","","","","","","1.075","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548208","15.088","0.0004","13.2353","0.0003","18.0221","0.0005","90","","94.414","0.002","90","","3588.23","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0662","0.0607","","","0.1447","0.1479","","","","","","1.009","","","","has coordinates,has disorder","203545","2020-10-21","18:00:00",""
"1548209","15.1029","0.0008","13.2535","0.0006","18.033","0.0009","90","","94.44","0.003","90","","3598.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0677","0.0608","","","0.1417","0.1453","","","","","","1.002","","","","has coordinates","203546","2020-10-21","18:00:00",""
"1548210","21.974","0.003","22.685","0.003","24.846","0.002","84.189","0.002","79.598","0.003","69.834","0.003","11425","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H216 Au38 S24 -","- C192 H216 Au38 S24 -","- C384 H432 Au76 S48 -","2","1","","Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin","Structural isomserism in gold nanoparticles revealed by X-ray crystallography","Nature Communications","2015","6","","8667","","10.1038/ncomms9667","","","0.71073","MoKα","","0.0546","0.0349","","","0.0961","0.1064","","","","","","1.045","","","","has coordinates","203547","2020-10-21","18:00:00",""
"1548213","12.4329","0.0002","22.915","0.0004","19.419","0.0005","90","","92.861","0.002","90","","5525.58","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Al2 N6 Te2 -","- C54 H72 Al2 N6 Te2 -","- C216 H288 Al8 N24 Te8 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.1839","0.1777","","","0.4134","0.4164","","","","","","1.059","","","","has coordinates","203598","2020-10-21","18:00:00",""
"1548214","12.2033","0.0004","19.649","0.0007","19.497","0.0006","90","","95.069","0.003","90","","4656.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Al N7 Te -","- C45 H68 Al N7 Te -","- C180 H272 Al4 N28 Te4 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0717","0.0529","","","0.1348","0.1709","","","","","","1.064","","","","has coordinates","203599","2020-10-21","18:00:00",""
"1548215","10.4285","0.0006","12.9619","0.0008","15.2266","0.0007","107.012","0.005","101.576","0.005","104.722","0.005","1817.4","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","1","0.5","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0658","0.0584","","","0.1504","0.1618","","","","","","1.084","","","","has coordinates","203600","2020-10-21","18:00:00",""
"1548216","10.3397","0.0003","15.6399","0.0005","14.9889","0.0004","90","","100.948","0.003","90","","2379.77","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0544","0.0483","","","0.1321","0.1427","","","","","","1.039","","","","has coordinates","203601","2020-10-21","18:00:00",""
"1548217","10.10785","0.00019","17.0515","0.0004","14.7514","0.0003","90","","97.9248","0.0017","90","","2518.18","0.09","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0552","0.0456","","","0.1282","0.1407","","","","","","1.064","","","","has coordinates","203602","2020-10-21","18:00:00",""
"1548218","9.442","0.0003","17.6271","0.0005","14.8977","0.0004","90","","96.085","0.003","90","","2465.53","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0465","0.0434","","","0.1178","0.1203","","","","","","1.052","","","","has coordinates","203603","2020-10-21","18:00:00",""
"1548219","9.7055","0.00015","17.8498","0.0003","14.7845","0.0003","90","","94.7485","0.0015","90","","2552.49","0.08","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.041","0.0374","","","0.0978","0.1012","","","","","","1.043","","","","has coordinates","203604","2020-10-21","18:00:00",""
"1548220","9.727","0.00018","17.0204","0.0003","15.2959","0.0002","90","","96.8477","0.0017","90","","2514.29","0.07","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0351","0.0315","","","0.0798","0.0827","","","","","","1.06","","","","has coordinates","203605","2020-10-21","18:00:00",""
"1548221","9.7904","0.00015","17.366","0.0003","15.2569","0.0002","90","","95.4829","0.0013","90","","2582.11","0.07","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.035","0.032","","","0.0848","0.0877","","","","","","1.046","","","","has coordinates","203606","2020-10-21","18:00:00",""
"1548222","6.2312","0.0005","5.2898","0.0004","16.469","0.0013","90","","96.772","0.004","90","","539.06","0.07","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C18 H24 I2 N2 O6 -","2","1","","Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo","Supramolecular amplification of amyloid self-assembly by iodination","Nature Communications","2015","6","","7574","","10.1038/ncomms8574","","","0.71073","MoKα","","0.0415","0.0368","","","0.0823","0.084","","","","","","1.111","","","","has coordinates","203607","2020-10-21","18:00:00",""
"1548223","35.403","0.003","18.9578","0.0014","23.171","0.003","90","","130.29","0.003","90","","11862","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.66667 H31.66667 Cl2 Cu N4 -","- C53.6667 H31.6667 Cl2 Cu N4 -","- C644 H380 Cl24 Cu12 N48 -","12","1.5","","Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen","Modulation of the molecular spintronic properties of adsorbed copper corroles","Nature Communications","2015","6","","7547","","10.1038/ncomms8547","","","0.71073","MoKα","","0.0866","0.0526","","","0.1356","0.1574","","","","","","1.02","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548224","12.6748","0.0003","5.3055","0.0001","13.6447","0.0003","90","","106.479","0.0008","90","","879.86","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","The salt of 3,5-dimethoxybenzoic acid (Fdash) and (1R,2S)-norephedrine (T)","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida","Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically","Nature Communications","2015","6","","8418","","10.1038/ncomms9418","","","0.71073","MoKα","","0.0642","0.0496","","","0.1364","0.1484","","","","","","1.068","","","","has coordinates","203609","2020-10-21","18:00:00",""
"1548225","7.6184","0.0003","16.5442","0.0008","18.1572","0.0008","90","","90","","90","","2288.54","0.17","294.9","0.15","294.9","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O2 Si -","- C24 H32 O2 Si -","- C96 H128 O8 Si4 -","4","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0656","0.0489","","","0.1076","0.1184","","","","","","1.054","","","","has coordinates","203610","2020-10-21","18:00:00",""
"1548226","7.2978","0.0006","6.7046","0.0003","11.4419","0.0007","90","","90.391","0.005","90","","559.83","0.06","295.4","0.1","295.4","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0629","0.0483","","","0.1335","0.1547","","","","","","0.947","","","","has coordinates","203611","2020-10-21","18:00:00",""
"1548227","8.7788","0.001","9.8167","0.0013","10.4098","0.0011","104.353","0.011","109.179","0.01","98.133","0.01","796.13","0.19","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","1.54184","CuKα","","0.05","0.048","","","0.1327","0.135","","","","","","1.044","","","","has coordinates","203612","2020-10-21","18:00:00",""
"1548228","15.2428","0.0011","15.4175","0.0016","21.1538","0.0012","90","","90","","90","","4971.3","0.7","298.06","0.14","298.06","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C224 H288 O32 -","16","4","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.1499","0.0655","","","0.126","0.1695","","","","","","0.937","","","","has coordinates","203613","2020-10-21","18:00:00",""
"1548229","10.501","0.0016","11.9699","0.0015","11.0318","0.0017","90","","109.896","0.005","90","","1303.9","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Br2 I2 O2 S8 -","- C18 H8 Br1.9996 I1.999 O2 S8 -","- C36 H16 Br3.9992 I3.998 O4 S16 -","2","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0316","","","","0.0237","","","","","","1.143","","","","has coordinates","203614","2020-10-21","18:00:00",""
"1548230","7.008","0.002","7.571","0.002","9.696","0.003","111.669","0.01","108.287","0.007","93.393","0.01","444.9","0.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0365","","","","0.0398","","","","","","0.975","","","","has coordinates","203615","2020-10-21","18:00:00",""
"1548231","8.4688","0.001","8.7721","0.0012","11.6407","0.0016","93.405","0.004","97.351","0.004","91.892","0.005","855.44","0.19","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br3 I O2 S4 -","- C12 H4 Br2.9997 I1.0007 O2 S4 -","- C24 H8 Br5.9994 I2.0014 O4 S8 -","2","1","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0355","","","","0.033","","","","","","1.021","","","","has coordinates","203616","2020-10-21","18:00:00",""
"1548232","7.0535","0.0015","7.6622","0.0017","9.7173","0.0018","111.757","0.013","107.972","0.009","94.14","0.013","453.5","0.17","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0313","","","","0.0336","","","","","","0.951","","","","has coordinates","203617","2020-10-21","18:00:00",""
"1548233","7.0996","0.0014","7.7287","0.0014","9.7508","0.0016","111.648","0.007","107.843","0.007","94.7","0.008","461.74","0.15","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68889","synchrotron","","","0.0377","","","","0.0399","","","","","","0.85","","","","has coordinates","203618","2020-10-21","18:00:00",""
"1548234","8.9071","0.0002","39.9588","0.001","13.1061","0.0004","90","","109.226","0.001","90","","4404.5","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H60 N7 O15.7 -","- C36 H60 N7 O15.7 -","- C144 H240 N28 O62.8 -","4","2","","Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit","Formation of functional super-helical assemblies by constrained single heptad repeat","Nature Communications","2015","6","","8615","","10.1038/ncomms9615","","","0.71073","MoKα","","0.0428","0.0419","","","0.1105","0.1113","","","","","","1.074","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548235","12.56","0.03","12.56","0.03","3.944","0.009","90","","90","","120","","539","2","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","1","0.333333","","Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda","Ultrathin inorganic molecular nanowire based on polyoxometalates","Nature Communications","2015","6","","7731","","10.1038/ncomms8731","","","0.78179","Synchrotron","","0.1718","0.0812","","","0.1726","0.2027","","","","","","0.802","","","","has coordinates,has disorder","203620","2020-10-21","18:00:00",""
"1548246","15.99","0.002","28.164","0.004","30.875","0.004","90","","90","","90","","13904","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H140 N4 O12 Si4 -","- C158 H140 N4 O12 Si4 -","- C632 H560 N16 O48 Si16 -","4","1","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.1431","0.1342","","","0.3443","0.352","","","","","","1.125","","","","has coordinates","203679","2020-10-21","18:00:00",""
"1548247","12.65","0.005","30.179","0.011","16.608","0.006","90","","111.13","0.007","90","","5914","4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76.5 H58 N2 O6 -","- C76.5 H58 N2 O6 -","- C306 H232 N8 O24 -","4","2","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.163","0.1239","","","0.2942","0.3296","","","","","","1.149","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548248","9.9215","0.0005","11.522","0.0005","17.8122","0.0009","104.475","0.001","93.873","0.001","108.095","0.001","1850.6","0.16","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H51 N -","- C50 H51 N -","- C100 H102 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0464","0.0433","","","0.1189","0.1231","","","","","","1.017","","","","has coordinates","203681","2020-10-21","18:00:00",""
"1548249","11.6888","0.0011","15.2279","0.0014","16.1361","0.0016","94.96","0.003","111.005","0.003","103.447","0.002","2561.8","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H58 Br3 Cl5 N -","- C55 H58 Br3 Cl5 N -","- C110 H116 Br6 Cl10 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0698","0.06","","","0.1471","0.1553","","","","","","1.087","","","","has coordinates,has disorder","203682","2020-10-21","18:00:00",""
"1548250","13.17","0.005","34.623","0.014","36.534","0.014","90","","90","","90","","16659","11","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50.75 H48.5 Cl0.75 N -","- C50.75 H48.5 Cl0.75 N -","- C812 H776 Cl12 N16 -","16","2","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.1835","0.0917","","","0.2105","0.2952","","","","","","1.08","","","","has coordinates","203683","2020-10-21","18:00:00",""
"1548251","13.462","0.014","14.743","0.015","18.096","0.019","98.297","0.017","101.322","0.014","97.33","0.02","3439","6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H47 Cl N O0 -","- C112.5 H47 Cl N -","- C225 H94 Cl2 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.2881","0.1987","","","0.4846","0.5325","","","","","","1.299","","","","has coordinates,has disorder","203684","2020-10-21","18:00:00",""
"1548252","15.4348","0.0012","7.2594","0.0006","24.961","0.002","90","","93.585","0.003","90","","2791.3","0.4","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O5 S2 Si2 -","- C25 H28 O5 S2 Si2 -","- C100 H112 O20 S8 Si8 -","4","1","","Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen","Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments","Nature Communications","2015","6","","10233","","10.1038/ncomms10233","","","0.71073","MoKα","","0.0661","0.0516","","","0.1132","0.1189","","","","","","1.123","","","","has coordinates","203685","2020-10-21","18:00:00",""
"1548264","17.9257","0.0003","17.9257","0.0003","28.0627","0.0007","90","","90","","90","","9017.4","0.3","100","0.1","100","0.1","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","","","- C11.5 H7.5 Cu O5.5 -","- C11.5 H6 Cu O5.5 -","- C184 H96 Cu16 O88 -","16","","","Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong","A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions","Nature Communications","2015","6","","7575","","10.1038/ncomms8575","","","1.54184","CuKα","","0.0648","0.0488","","","0.1206","0.1255","","","","","","1.002","","","","has coordinates","203697","2020-10-21","18:00:00",""
"1548265","9.205","0.003","10.74","0.003","13.922","0.004","82.773","0.009","76.229","0.009","74.293","0.009","1284.1","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 B2 Cl2 N2 O2 -","- C25 H29 B2 Cl2 N2 O2 -","- C50 H58 B4 Cl4 N4 O4 -","2","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1317","0.063","","","0.1772","0.2137","","","","","","1.016","","","","has coordinates,has disorder","203698","2020-10-21","18:00:00",""
"1548266","9.3775","0.0015","22.196","0.004","9.432","0.0015","90","","90","","90","","1963.2","0.6","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 B2 N2 O2 -","- C22 H26 B2 N2 O2 -","- C88 H104 B8 N8 O8 -","4","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1309","0.0672","","","0.1783","0.2035","","","","","","0.848","","","","has coordinates,has disorder","203699","2020-10-21","18:00:00",""
"1548267","10.8994","0.001","13.3303","0.0014","14.0182","0.0013","98.334","0.004","90.656","0.004","109.608","0.004","1894.4","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","1","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.171","0.079","","","0.173","0.2145","","","","","","1.017","","","","has coordinates,has disorder","203700","2020-10-21","18:00:00",""
"1548268","11.3572","0.0009","9.8183","0.0008","27.031","0.002","90","","96.547","0.004","90","","2994.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H39.5 B2 N2 O2.75 -","- C34.5 H39.5 B2 N2 O2.75 -","- C138 H158 B8 N8 O11 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1184","0.0689","","","0.1821","0.2237","","","","","","1.007","","","","has coordinates,has disorder","203701","2020-10-21","18:00:00",""
"1548269","13.017","0.0016","6.3932","0.0008","27.756","0.003","90","","99.795","0.004","90","","2276.2","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 B2 Cl N2 O4 -","- C23.5 H27 B2 Cl N2 O4 -","- C94 H108 B8 Cl4 N8 O16 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1746","0.073","","","0.1601","0.2232","","","","","","1.053","","","","has coordinates,has disorder","203702","2020-10-21","18:00:00",""
"1548270","22.535","0.014","5.356","0.003","16.749","0.011","90","","98.687","0.009","90","","1998","2","173.15","","173.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang","Positioning and joining of organic single-crystalline wires","Nature Communications","2015","6","","6737","","10.1038/ncomms7737","","","0.71073","MoKα","","0.0748","0.0676","","","0.1372","0.1411","","","","","","1.239","","","","has coordinates","203703","2020-10-21","18:00:00",""
"1548271","30.8314","0.0016","30.8314","0.0016","30.8314","0.0016","90","","90","","90","","29308","3","295","2","300","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H492 B24 F18 Fe42 N240 O60 S6 -","- C450.012 H408 B24 F18 Fe42 N240 O59.904 S6 -","- C900.024 H816 B48 F36 Fe84 N480 O119.808 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6202","synchrotron","","0.1243","0.0722","","","0.2085","0.2391","","","","","","1.034","","","","has coordinates,has disorder","203704","2020-10-21","18:00:00",""
"1548272","30.7679","0.0013","30.7679","0.0013","30.7679","0.0013","90","","90","","90","","29127","2","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H548 B24 F18 Fe42 N240 O88 S6 -","- C450 H408 B24 F18 Fe42 N240 O88.024 S6 -","- C900 H816 B48 F36 Fe84 N480 O176.048 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6186","synchrotron","","0.0951","0.0848","","","0.2058","0.2121","","","","","","1.149","","","","has coordinates,has disorder","203705","2020-10-21","18:00:00",""
"1548273","12.1905","0.0011","14.4177","0.0013","20.4894","0.0019","90","","90","","90","","3601.2","0.6","100.33","0.1","100.33","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H5 Cu N5 O4 -","- C9 H5 Cu N5 O4 -","- C72 H40 Cu8 N40 O32 -","8","1","","Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen","Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures","Nature Communications","2015","6","","7328","","10.1038/ncomms8328","","x-ray","1.54184","CuKα","","0.1106","0.0871","","","0.2303","0.2569","","","","","","0.961","","","","has coordinates","203706","2020-10-21","18:00:00",""
"1548274","18.3769","0.0004","16.7983","0.0004","18.7409","0.0005","90","","107.372","0.003","90","","5521.4","0.2","107","4","107","4","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H42 B Cl0.25 F24 Na O9 -","- C48 H42 B F24 Na O9 -","- C192 H168 B4 F96 Na4 O36 -","4","0.5","","Rene-Chris Brachvogel; Frank Hampel; Max von Delius","Self-assembly of dynamic orthoester cryptates","Nature Communications","2015","6","","7129","","10.1038/ncomms8129","","x-ray","1.54184","CuKα","","0.0881","0.0667","","","0.1748","0.1934","","","","","","1.074","","","","has coordinates,has disorder","203707","2020-10-21","18:00:00",""
"1548275","22.2003","0.0019","7.3575","0.0007","15.5257","0.0012","90","","130.588","0.0018","90","","1925.8","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mg2 N2 O10 -","- C18 H20 Mg2 N2 O10 -","- C72 H80 Mg8 N8 O40 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.062","","","","0.227","","","","","","1.139","","","","has coordinates","203708","2020-10-21","18:00:00",""
"1548276","18.2716","0.0009","17.2585","0.0009","13.5539","0.0007","90","","129.666","0.0013","90","","3290.1","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.0556","","","","0.1635","","","","","","1.049","","","","has coordinates","203709","2020-10-21","18:00:00",""
"1548277","21.47","0.03","19.39","0.03","10.099","0.014","90","","119.867","0.016","90","","3646","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Ca2 N5 O13 -","- C39 H31 Ca2 N5 O13 -","- C156 H124 Ca8 N20 O52 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","0.1505","0.0984","","","0.2782","0.3305","","","","","","1.103","","","","has coordinates,has disorder","203710","2020-10-21","18:00:00",""
"1548294","4.6598","0.0001","11.2839","0.0003","12.0321","0.0003","115.307","0.002","97.601","0.002","94.255","0.002","560.85","0.03","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H26 O5 S -","- C27 H26 O5 S -","- C27 H26 O5 S -","1","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.0318","0.0278","","","0.0573","0.0591","","","","","","1.029","","","","has coordinates","203756","2020-10-21","18:00:00",""
"1548295","13.673","0.0011","7.849","0.0008","18.491","0.0018","90","","95.18","0.008","90","","1976.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H50 O6 S -","- C48 H50 O6 S -","- C96 H100 O12 S2 -","2","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.1134","0.0626","","","0.1107","0.1377","","","","","","1.049","","","","has coordinates","203757","2020-10-21","18:00:00",""
"1548302","10.511","0.0009","20.522","0.0018","35.439","0.003","90","","94.2797","0.0013","90","","7623.1","1.1","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C158 H152 B2 F48 Pd10 -","- C158 H152 B2 F48 Pd10 -","- C316 H304 B4 F96 Pd20 -","2","0.5","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.0447","0.0409","","","0.1","0.1029","","","","","","1.065","","","","has coordinates","203765","2020-10-21","18:00:00",""
"1548303","19.4381","0.0011","21.7533","0.0012","22.0547","0.0013","86.871","0.001","84.951","0.001","66.93","0.001","8544.5","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H146 B2 F48 O2 Pd10 -","- C144 H136 B2 F48 Pd10 -","- C288 H272 B4 F96 Pd20 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1524","0.0878","","","0.2325","0.2673","","","","","","0.878","","","","has coordinates","203766","2020-10-21","18:00:00",""
"1548304","17.1352","0.0006","20.7763","0.0007","23.2367","0.0009","104.581","0.0008","90.8059","0.0008","105.76","0.0007","7674.7","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 -","- C162 H154 B2 F48 Pd5 -","- C324 H308 B4 F96 Pd10 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1315","0.0792","","","0.2145","0.2511","","","","","","1.095","","","","has coordinates","203767","2020-10-21","18:00:00",""
"1548305","17.1345","0.0016","20.7478","0.0018","23.226","0.002","104.412","0.0013","90.6725","0.0015","105.167","0.0015","7692.4","1.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd7 -","- C162 H154 B2 F48 Pd7 -","- C324 H308 B4 F96 Pd14 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1378","0.0853","","","0.2295","0.2676","","","","","","1.103","","","","has coordinates","203768","2020-10-21","18:00:00",""
"1548306","17.0309","0.0012","20.8251","0.0015","23.3934","0.0017","75.2877","0.0014","89.9715","0.0013","74.2761","0.0012","7703.8","1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 Pt3 -","- C162 H154 B2 F48 Pd5 Pt3 -","- C324 H308 B4 F96 Pd10 Pt6 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1904","0.0976","","","0.257","0.3241","","","","","","0.982","","","","has coordinates","203769","2020-10-21","18:00:00",""
"1548307","8.4508","0.0004","41.4961","0.0016","8.07","0.0003","90","","94.122","0.004","90","","2822.6","0.2","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 B F2 N3 P -","- C31 H37 B F2 N3 P -","- C124 H148 B4 F8 N12 P4 -","4","1","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.1133","0.0838","","","0.2054","0.2168","","","","","","1.096","","","","has coordinates","203770","2020-10-21","18:00:00",""
"1548308","28.4395","0.0015","18.7648","0.0011","16.3621","0.0009","90","","123.051","0.003","90","","7318.9","0.7","100","2","100.05","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H70 N4 P2 S2 Zn -","- C80 H70 N4 P2 S2 Zn -","- C320 H280 N16 P8 S8 Zn4 -","4","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.0608","0.0541","","","0.1604","0.1661","","","","","","1.087","","","","has coordinates","203771","2020-10-21","18:00:00",""
"1548309","15.6349","0.0009","18.4356","0.0012","21.753","0.0015","107.517","0.004","110.288","0.004","96.416","0.004","5442.2","0.7","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","1","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.194","0.1434","","","0.3731","0.4064","","","","","","1.333","","","","has coordinates,has disorder","203772","2020-10-21","18:00:00",""
"1548351","14.339","0.0026","14.3374","0.0026","14.3642","0.0013","90","","90","","90","","2953","0.8","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Fe4 Na4 O36 P12 -","- Fe4 Na4 O36 P12 -","- Fe16 Na16 O144 P48 -","4","1","","Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang","Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3","Data in Brief","2015","4","","217","221","10.1016/j.dib.2015.05.022","powder diffraction","x-ray","1.5406","","","","","","","","","0.10545","","1.6","","","","","","","has coordinates","203863","2020-10-21","18:00:00",""
"1548358","6.315","0.0002","9.3352","0.0003","11.1622","0.0005","104.386","0.002","95.464","0.002","107.774","0.002","596.44","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","2-methoxyestradiol chloroform solvate 1:2","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol chloroform solvate 1:2'","","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","1","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.037","0.0296","","","0.0682","0.0715","","","","","","1.023","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1548359","6.254","0.0002","11.2919","0.0003","11.5524","0.0004","90","","97.355","0.001","90","","809.11","0.04","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-methoxyestradiol","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0523","0.0366","","","0.0776","0.0842","","","","","","1.006","","","","has coordinates","203871","2020-10-21","18:00:00",""
"1548360","9.499","0.0013","10.5848","0.0015","43.643","0.006","90","","90","","90","","4388.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","2-methoxyestradiol-3,17-O,O-bis-sulfamate hemihydrate","","- C19 H29 N2 O7.5 S2 -","- C19 H28 N2 O7.5 S2 -","- C152 H224 N16 O60 S16 -","8","2","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0698","0.0613","","","0.1278","0.1307","","","","","","1.18","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548416","32.5104","0.0005","7.542","0.0001","18.7992","0.0013","90","","123.469","0.009","90","","3845.1","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C152 H240 O40 -","8","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.1209","0.1048","","","0.235","0.2509","","","","","","1.071","","","","has coordinates,has disorder","204152","2020-10-21","18:00:00",""
"1548417","11.4472","0.0004","5.3308","0.0002","28.617","0.002","90","","95.192","0.007","90","","1739.12","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 I N O3 S -","- C15 H20 I N O3 S -","- C60 H80 I4 N4 O12 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.0605","0.0439","","","0.1061","0.1201","","","","","","1.066","","","","has coordinates,has disorder","204153","2020-10-21","18:00:00",""
"1548418","5.9278","0.0001","8.3994","0.0002","31.263","0.002","90","","90","","90","","1556.58","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54178","CuKα","","0.044","0.0423","","","0.1102","0.1119","","","","","","1.103","","","","has coordinates","204154","2020-10-21","18:00:00",""
"1548420","8.5127","0.0002","9.9548","0.0002","16.5298","0.0012","85.838","0.006","75.41","0.005","84.304","0.006","1347.26","0.11","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Br2 N O Si -","- C26 H37 Br2 N O Si -","- C52 H74 Br4 N2 O2 Si2 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0881","0.0716","","","0.1961","0.2677","","","","","","1.153","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548421","14.2427","0.001","14.0437","0.0005","13.5442","0.0003","90","","111.769","0.008","90","","2515.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N O Si -","- C26 H39 N O Si -","- C104 H156 N4 O4 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54178","CuKα","","0.0797","0.0575","","","0.163","0.1852","","","","","","1.058","","","","has coordinates","204157","2020-10-21","18:00:00",""
"1548422","16.8831","0.0006","7.8642","0.0003","19.9523","0.0007","90","","100.544","0.004","90","","2604.38","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O2 Si -","- C27 H37 N O2 Si -","- C108 H148 N4 O8 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54184","CuKα","","0.0715","0.0633","","","0.1138","0.1176","","","","","","1.01","","","","has coordinates,has disorder","204158","2020-10-21","18:00:00",""
"1548423","10.9419","0.0001","13.4756","0.0002","18.147","0.0012","83.987","0.006","80.786","0.006","68.014","0.005","2446.21","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 N4 O9 Si2 -","- C45 H62 N4 O9 Si2 -","- C90 H124 N8 O18 Si4 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0805","0.0593","","","0.1211","0.1403","","","","","","1.01","","","","has coordinates","204159","2020-10-21","18:00:00",""
"1548470","13.0627","0.0008","22.7178","0.0012","18.8564","0.0009","90","","107.908","0.0012","90","","5324.6","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 F3 N5 O9 S Si2 -","- C44 H70 F3 N5 O9 S Si2 -","- C176 H280 F12 N20 O36 S4 Si8 -","4","1","","Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino","Total synthesis of palau'amine","Nature Communications","2015","6","","8731","","10.1038/ncomms9731","","","0.71075","MoKα","","","0.0943","","","","0.2443","","","","","","1.091","","","","has coordinates","204314","2020-10-21","18:00:00",""
"1548471","12.343","0.0004","9.5901","0.0003","8.4468","0.0003","90","","90","","90","","999.85","0.06","","","4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.742","","","","has coordinates","204315","2020-10-21","18:00:00",""
"1548472","12.3636","0.0005","9.5974","0.0004","8.4596","0.0003","90","","90","","90","","1003.8","0.07","","","130","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.591","","","","has coordinates","204316","2020-10-21","18:00:00",""
"1548473","12.4081","0.0005","9.6132","0.0004","8.4859","0.0004","90","","90","","90","","1012.21","0.08","","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.387","","","","has coordinates","204317","2020-10-21","18:00:00",""
"1548474","9.5905","0.0002","9.5905","0.0002","19.7424","0.0005","90","","90","","90","","1815.86","0.07","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C21 H25 N O3 -","- C21 H24 N O3 -","- C84 H96 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0304","0.0286","","","0.0715","0.0726","","","","","","1.042","","","","has coordinates","204342","2020-10-21","18:00:00",""
"1548475","8.8437","0.0009","13.309","0.0013","16.8901","0.0017","90","","90","","90","","1988","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0605","0.0389","","","0.0911","0.1024","","","","","","1.018","","","","has coordinates","204343","2020-10-21","18:00:00",""
"1548476","10.6408","0.0003","17.7283","0.0005","18.1077","0.0005","90","","90","","90","","3415.9","0.17","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C144 H200 N8 O24 -","8","2","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.07","0.0435","","","0.0928","0.1034","","","","","","1.013","","","","has coordinates","204344","2020-10-21","18:00:00",""
"1548477","9.3102","0.0003","9.6848","0.0003","18.5136","0.0006","90","","90","","90","","1669.32","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0351","0.032","","","0.0775","0.0798","","","","","","1.069","","","","has coordinates","204345","2020-10-21","18:00:00",""
"1548478","30.107","0.003","5.8007","0.0005","11.5447","0.001","90","","99.634","0.004","90","","1987.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0615","0.0445","","","0.1123","0.1244","","","","","","0.998","","","","has coordinates","204346","2020-10-21","18:00:00",""
"1548479","12.8285","0.0006","12.8285","0.0006","18.0935","0.0009","90","","90","","90","","2977.7","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C112 H184 N8 O24 -","8","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0633","0.0386","","","0.0793","0.0883","","","","","","1.021","","","","has coordinates","204347","2020-10-21","18:00:00",""
"1548480","5.0728","0.0003","14.5938","0.0007","15.1058","0.0008","83.648","0.003","81.203","0.003","83.714","0.003","1093.47","0.1","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H16 N O3 -","- C10 H16 N O3 -","- C40 H64 N4 O12 -","4","4","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","1.54178","CuKα","","0.0708","0.0664","","","0.2111","0.2158","","","","","","1.112","","","","has coordinates","204348","2020-10-21","18:00:00",""
"1548496","8.4096","0.0006","15.0102","0.0012","18.0794","0.0014","90","","90","","90","","2282.2","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C100 H96 N8 O20 S4 -","4","1","","Ming Yang; Jian Li; Ang Li","Total synthesis of clostrubin","Nature Communications","2015","6","","6445","","10.1038/ncomms7445","","x-ray","0.71073","MoKα","","","0.04","","","0.102","","","","","","","1.03","","","","has coordinates","204396","2020-10-21","18:00:00",""
"1548523","9.199","0.004","9.202","0.004","9.295","0.004","87.525","0.008","79.027","0.008","87.884","0.007","771.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Al3 F N O12.5 P3 -","- C4 H12 Al3 F N O12.5 P3 -","- C8 H24 Al6 F2 N2 O25 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0641","0.0537","","","0.1595","0.1853","","","","","","1.116","","","","has coordinates","204442","2020-10-21","18:00:00",""
"1548524","9.1231","0.0014","9.2411","0.0014","9.3426","0.0015","86.769","0.004","79.946","0.004","87.846","0.004","774","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H12 Al3 F N O13 P3 -","- C3 H10 Al3 F N O13 P3 -","- C6 H20 Al6 F2 N2 O26 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0933","0.056","","","0.1298","0.1453","","","","","","0.96","","","","has coordinates","204443","2020-10-21","18:00:00",""
"1548525","9.18","0.0008","9.1957","0.0008","9.3606","0.0008","86.532","0.002","78.192","0.002","87.739","0.002","771.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H12.5 Al3 F N O12.25 P3 -","- C5 H12 Al3 F N O12.25 P3 -","- C10 H24 Al6 F2 N2 O24.5 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0675","0.0493","","","0.1152","0.1232","","","","","","1.037","","","","has coordinates","204444","2020-10-21","18:00:00",""
"1548527","9.4094","0.0003","11.7301","0.0003","9.5007","0.0006","90","","99.289","0.007","90","","1034.87","0.08","","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N3 O7 -","- C19 H22 F3 N3 O7 -","- C38 H44 F6 N6 O14 -","2","1","","Brendan T. Parr; Christos Economou; Seth B. Herzon","A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials","Nature","2015","525","","507","510","10.1038/nature14902","","x-ray","0.71075","MoKα","","0.0573","0.051","","","0.0721","0.0736","","","","","","1.162","","","","has coordinates","204446","2020-10-21","18:00:00",""
"1548561","25.728","0.006","25.728","0.006","6.5313","0.0016","90","","90","","90","","4323.3","1.8","","","140","","","","","","","","","4","I 4","I 4","79","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.054","","","0.12","","","","","","","","","","","has coordinates","204652","2020-10-21","18:00:00",""
"1548562","7.3863","0.0015","6.6732","0.0013","19.53","0.004","90","","90.68","0.03","90","","962.6","0.3","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","1.54178","CuKα","","","0.034","","","0.088","","","","","","","1.06","","","","has coordinates","204653","2020-10-21","18:00:00",""
"1548563","10.6277","0.001","11.3209","0.0011","15.3086","0.0015","70.82","0.002","77.972","0.002","66.025","0.002","1583.5","0.3","","","140","","","","","","","","","6","P 1","P 1","1","","","","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","1","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.04","","","0.134","","","","","","","1.02","","","","has coordinates","204654","2020-10-21","18:00:00",""
"1548580","8.506","0.002","16.426","0.003","29.288","0.003","90","","91.98","0.01","90","","4089.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38.72 N6 O10.36 S2 -","- C44 H30 N6 O10.359 S2 -","- C176 H120 N24 O41.436 S8 -","4","1","","W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin","Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups","Journal of Porphyrins and Phthalocyanines","2015","19","","1256","1261","10.1142/S1088424615501084","","x-ray","1.54184","CuKα","","0.1368","0.1107","","","0.3006","0.3331","","","","","","1.913","","","","has coordinates","204684","2020-10-21","18:00:00",""
"1548582","12.9884","0.0009","17.0042","0.0012","13.3251","0.0009","90","","90.318","0.002","90","","2942.9","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Chlorido[tris(<i>p</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C126 H126 As6 Au6 Cl6 -","6","3","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0437","0.0427","","","0.1079","0.1086","","","","","","1.012","","","","has coordinates","204686","2020-10-21","18:00:00",""
"1548583","11.6328","0.0011","14.0632","0.0012","11.9721","0.0011","90","","90","","90","","1958.6","0.3","100","0.1","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido[tris(<i>m</i>-tolylarsane)gold(I)","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C84 H84 As4 Au4 Cl4 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0506","0.0375","","","0.0855","0.0911","","","","","","1.148","","","","has coordinates,has disorder","204687","2020-10-21","18:00:00",""
"1548584","17.4293","0.0004","14.8826","0.0004","11.5267","0.0003","90","","116.607","0.002","90","","2673.31","0.13","100","0.1","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2.2.4 bis(diphenylarsane)ethane bis[chloridogold(I)]","","- C26 H24 As2 Au2 Cl2 -","- C26 H24 As2 Au2 Cl2 -","- C104 H96 As8 Au8 Cl8 -","4","0.5","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0398","0.028","","","0.0675","0.0728","","","","","","1.034","","","","has coordinates","204688","2020-10-21","18:00:00",""
"1548585","9.4715","0.0003","18.0504","0.0005","16.0002","0.0005","90","","96.461","0.001","90","","2718.09","0.14","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2.2.5 Chlorido(tris-naphthylarsane)gold(I)","","- C31 H23 As Au Cl3 -","- C31 H23 As Au Cl3 -","- C124 H92 As4 Au4 Cl12 -","4","1","","Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli","Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study","Plos One","2015","10","","e0119620","","10.1371/journal.pone.0119620","","","0.71073","MoKα","","0.0403","0.0287","","","0.0627","0.0665","","","","","","1.018","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548647","9.6668","0.0005","9.4892","0.0005","9.7273","0.0005","90","","90","","90","","892.29","0.08","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Li -","- C H12 B11 Li -","- C4 H48 B44 Li4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.5703","","","","","","","","has coordinates","205028","2020-10-21","18:00:00",""
"1548648","9.7821","0.0004","9.6254","0.0004","10.0928","0.0004","90","","90","","90","","950.3","0.07","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Na -","- C H12 B11 Na -","- C4 H48 B44 Na4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.6689","","","","","","","","has coordinates","205029","2020-10-21","18:00:00",""
"1548716","18.2502","0.0013","5.8703","0.0001","25.807","0.003","90","","100.988","0.008","90","","2714.1","0.4","","","93","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O -","- C18 H18 O -","- C144 H144 O8 -","8","1","","Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn","A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation","Advanced Synthesis & Catalysis","2015","357","","2301","2309","10.1002/adsc.201500230","","x-ray","1.54187","CuKα","","0.063","0.0586","","","0.1627","0.1721","","","","","","1.099","","","","has coordinates","205360","2020-10-21","18:00:00",""
"1549530","7.8089","0.0004","17.5619","0.0008","9.148","0.0005","90","","114.512","0.005","90","","1141.48","0.11","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 Ba2 O9 -","- C10 H4 Ba2 O9 -","- C40 H16 Ba8 O36 -","4","0.5","","Köferstein, Roberto; Robl, Christian","M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations","Zeitschrift für anorganische und allgemeine Chemie","2015","641","6","1150","","10.1002/zaac.201500050","","","","","","0.023","0.02","","","","","","","","","","","","","","has coordinates","208271","2020-10-21","18:00:00",""
"1549531","7.567","0.001","17.228","0.002","8.902","0.002","90","","113.59","0.01","90","","1063.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 O9 Pb2 -","- C10 H2 O9 Pb2 -","- C40 H8 O36 Pb8 -","4","0.5","","Köferstein, Roberto; Robl, Christian","M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations","Zeitschrift für anorganische und allgemeine Chemie","2015","641","6","1150","","10.1002/zaac.201500050","","","0.71073","MoKα","","0.0479","0.0418","","0.1062","0.1042","","","","1.706","1.8","1.8","","","","","has coordinates","208272","2020-10-21","18:00:00",""
"1549533","9.5848","0.0009","14.6574","0.0011","18.2114","0.0012","90","","97.655","0.008","90","","2535.7","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Cu N4 O16 -","- C19 H30 Cu N4 O16 -","- C76 H120 Cu4 N16 O64 -","4","1","","Köferstein, Roberto; Robl, Christian","A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions","Zeitschrift für anorganische und allgemeine Chemie","2015","641","11","1886","","10.1002/zaac.201500231","","","","","","0.044","0.032","","","","","","","","","","","","","","has coordinates","208275","2020-10-21","18:00:00",""
"1551319","20.1798","0.0008","20.1798","0.0008","20.1798","0.0008","90","","90","","90","","8217.7","0.6","100","2","100","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H62 N8 O16 -","- C30 H36 N8 O16 -","- C240 H288 N64 O128 -","8","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71075","MoKα","","0.0627","0.057","","","0.1809","0.1854","","","","","","1.48","","","","has coordinates","215816","2020-10-21","18:00:00",""
"1551320","23.6949","0.0013","13.4437","0.0007","18.9583","0.0011","90","","98.83","0.002","90","","5967.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H69 N11 -","- C72 H65.7968 N11 -","- C288 H263.187 N44 -","4","0.5","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0916","0.0702","","","0.1828","0.2027","","","","","","1.031","","","","has coordinates,has disorder","215817","2020-10-21","18:00:00",""
"1551321","20.792","0.004","20.792","0.004","45.156","0.009","90","","90","","120","","16906","6","400","","400","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0925","0.0742","","","0.2008","0.229","","","","","","1.053","","","","has coordinates,has disorder","215818","2020-10-21","18:00:00",""
"1551322","20.804","0.003","20.804","0.003","45.126","0.007","90","","90","","120","","16914","4","400","2","450","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H234 N35 -","- C648 H702 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0892","0.0678","","","0.1934","0.2233","","","","","","1.025","","","","has coordinates,has disorder","215819","2020-10-21","18:00:00",""
"1551323","20.4108","0.0007","20.4108","0.0007","44.6718","0.0017","90","","90","","120","","16117","1","100","","100","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0524","0.0433","","","0.1164","0.1232","","","","","","1.057","","","","has coordinates,has disorder","215820","2020-10-21","18:00:00",""
"1551324","20.6365","0.0016","20.6365","0.0016","44.899","0.004","90","","90","","120","","16559","2","300","","300","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0865","0.046","","","0.1236","0.1546","","","","","","1.081","","","","has coordinates,has disorder","215821","2020-10-21","18:00:00",""
"1551325","20.718","0.002","20.718","0.002","44.992","0.005","90","","90","","120","","16725","3","300","","300","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C218.02 H246.5 Cl1.5 N35 O1.5 -","- C218.02 H240.5 Cl1.5 N35 O0.84 -","- C654.06 H721.5 Cl4.5 N105 O2.52 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0963","0.0737","","","0.2022","0.2282","","","","","","1.055","","","","has coordinates,has disorder","215822","2020-10-21","18:00:00",""
"1551326","20.6071","0.0011","20.6071","0.0011","44.949","0.003","90","","90","","120","","16530.4","1.7","293","","293","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.6889","Synchrotron","","0.0798","0.0583","","","0.161","0.1801","","","","","","1.036","","","","has coordinates,has disorder","215823","2020-10-21","18:00:00",""
"1551327","20.5397","0.0011","20.5397","0.0011","44.747","0.003","90","","90","","120","","16348.7","1.7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C226 H268 Cl6 N35 O8 -","- C223.93 H260 Cl6 N35 O8.02 -","- C671.79 H780 Cl18 N105 O24.06 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0745","0.0662","","","0.19","0.2001","","","","","","1.062","","","","has coordinates,has disorder","215824","2020-10-21","18:00:00",""
"1551328","21.7305","0.0017","19.737","0.0015","22.9973","0.0017","90","","105.506","0.002","90","","9504.4","1.3","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C80 H119 Cl2 N12 O9.5 -","- C79.75 H114 Cl1.75 N12 O9.5 -","- C319 H456 Cl7 N48 O38 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0943","0.0869","","","0.2458","0.2563","","","","","","1.017","","","","has coordinates,has disorder","215825","2020-10-21","18:00:00",""
"1551329","21.644","0.0009","19.7822","0.0008","23.2696","0.0015","90","","105.704","0.001","90","","9591.4","0.8","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C83 H137 N12 O15 -","- C83 H129 N12 O15 -","- C332 H516 N48 O60 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1234","0.1152","","","0.3264","0.3387","","","","","","1.6","","","","has coordinates,has disorder","215826","2020-10-21","18:00:00",""
"1551330","33.883","0.008","20.467","0.005","25.712","0.006","90","","95.249","0.008","90","","17756","7","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C576 H672 N96 -","8","2","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1186","0.0907","","","0.2331","0.2673","","","","","","1.075","","","","has coordinates","215827","2020-10-21","18:00:00",""
"1551331","34.692","0.002","19.8867","0.0013","26.6702","0.0018","90","","93.334","0.002","90","","18369","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155.5 H234 Cl N24 O21.5 -","- C155.5 H213 Cl N24 O21.375 -","- C622 H852 Cl4 N96 O85.5 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.1071","0.0977","","","0.2645","0.2748","","","","","","1.052","","","","has coordinates,has disorder","215828","2020-10-21","18:00:00",""
"1551332","34.796","0.003","19.8984","0.0014","26.7636","0.0018","90","","93.452","0.002","90","","18497","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C154 H208.5 Cl9 N24 O11.75 -","- C154 H199 Cl9 N24 O11.75 -","- C616 H796 Cl36 N96 O47 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1833","0.1641","","","0.4202","0.4368","","","","","","1.94","","","","has coordinates,has disorder","215829","2020-10-21","18:00:00",""
"1551333","15.8532","0.0007","15.8532","0.0007","33.088","0.002","90","","90","","120","","7201.7","0.6","100","","100","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C108 H252 N24 O45 -","- C108 H162 N24 O45 -","- C216 H324 N48 O90 -","2","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1342","0.1156","","","0.3141","0.3388","","","","","","1.426","","","","has coordinates,has disorder","288467","2023-12-21","09:11:23",""
"1551384","17.018","0.003","19.782","0.004","33.512","0.007","81.76","0.03","88.25","0.03","82.41","0.03","11067","4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C206 H209 N40 O40 -","- C205.5 H208.5 N40.5 O40 -","- C411 H417 N81 O80 -","2","2","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.8","synchrotron","","0.2522","0.1217","","","0.2979","0.4099","","","","","","1.135","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551385","24.443","0.0006","21.3714","0.0005","46.5745","0.001","90","0.001","101.926","0.001","90","0.001","23804.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C206 H210 N40 O40 -","- C206 H210 N40 O40 -","- C824 H840 N160 O160 -","4","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.2254","0.1677","","","0.4601","0.5103","","","","","","1.47","","","","has coordinates","215914","2020-10-21","18:00:00",""
"1551386","29.18","0.006","31.72","0.006","32.14","0.006","69.39","0.03","73.89","0.03","68.09","0.03","25465","11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C412 H420 N80 O82 -","- C412 H420 N80 O82 -","- C824 H840 N160 O164 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.78","synchrotronradiation","","0.1761","0.138","","","0.4015","0.4328","","","","","","1.706","","","","has coordinates","215915","2020-10-21","18:00:00",""
"1551387","20.683","","24.6762","0.0001","25.9639","0.0019","117.362","0.003","93.86","0.008","103.065","0.006","11237.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C205 H206 N40 O45 -","- C205 H206 N40 O40 -","- C410 H412 N80 O80 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54148","CuKα","","0.2346","0.1719","","","0.4644","0.5136","","","","","","1.35","","","","has coordinates","215916","2020-10-21","18:00:00",""
"1551388","17.5372","0.0014","19.8099","0.0016","33.578","0.003","105.041","0.003","90.103","0.002","108.356","0.003","10648","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C188 H186 Cl0 F N36 O36 -","- C188 H186 F N36 O36 -","- C376 H372 F2 N72 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.1906","0.1538","","","0.3813","0.4228","","","","","","1.437","","","","has coordinates","215917","2020-10-21","18:00:00",""
"1551389","17.554","0.004","19.747","0.004","33.398","0.007","74.98","0.03","89.62","0.03","71.99","0.03","10600","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C191 H189 Cl6 F2 N35 O36 -","- C191 H189 Cl6 F2 N35 O36 -","- C382 H378 Cl12 F4 N70 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.85043","synchrotronradiationESRFFIP","","0.1571","0.1265","","","0.3559","0.379","","","","","","1.527","","","","has coordinates","215918","2020-10-21","18:00:00",""
"1551415","16.0089","0.0007","25.8622","0.001","29.879","0.0011","89.88","0.002","89.852","0.002","72.396","0.002","11791.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H146 Br8 Cl17 Fe6.5 N40 O21 -","- C194 H144 Br8 Cl17 Fe6.5 N40 O21 -","- C388 H288 Br16 Cl34 Fe13 N80 O42 -","2","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1088","0.0751","","","0.2218","0.2426","","","","","","1.053","","","","has coordinates,has disorder","215953","2020-10-21","18:00:00",""
"1551416","33.0443","0.0019","19.184","0.0011","41.84","0.002","90","","111.339","0.002","90","","24705","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H165 Cl12 Fe6 N35 O24 -","- C196 H165 Cl12 Fe6 N35 O24 -","- C784 H660 Cl48 Fe24 N140 O96 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1228","0.0919","","","0.2458","0.2713","","","","","","1.02","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"1551417","42.114","0.003","54.516","0.003","14.0878","0.0009","90","","107.763","0.004","90","","30802","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C768 H600 F96 Fe24 N144 O48 P16 S24 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.2051","0.1411","","","0.3353","0.3902","","","","","","1.231","","","","has coordinates","215955","2020-10-21","18:00:00",""
"1551418","59.465","0.005","16.8956","0.0015","62.436","0.005","90","","116.189","0.003","90","","56290","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C1872 H1872 Br102 Fe48 K6 N240 O338 -","8","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1586","0.1243","","","0.3352","0.3586","","","","","","1.392","","","","has coordinates,has disorder","215956","2020-10-21","18:00:00",""
"1551453","14.8228","0.00013","14.8228","0.00013","11.7919","0.0001","90","","90","","90","","2590.86","0.04","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-4C2H2","- C24 H16 Al2 O10 -","- C24 H16 Al2 O10 -","- C96 H64 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","1.73","","","","has coordinates","216022","2020-10-21","18:00:00",""
"1551454","14.80469","0.000033","14.80469","0.000033","11.801726","0.000035","90","","90","","90","","2586.69","0.011","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-2.5C2H4","- C21 H18 Al2 O10 -","- C21.0688 H18.1376 Al2 O10 -","- C84.2752 H72.5504 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","2.74","","","","has coordinates","216023","2020-10-21","18:00:00",""
"1551455","14.785355","0.000083","14.785355","0.000083","11.77396","0.00015","90","","90","","90","","2573.87","0.04","","","100","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D2","- C21.4 H8 Al2 D5.4 O10 -","- C21.0068 H8 Al2 D5.0068 O10 -","- C84.0272 H32 Al8 D20.0272 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.006","","","","3.31","","","","has coordinates","216024","2020-10-21","18:00:00",""
"1551456","14.794232","0.000096","14.794232","0.000096","11.77851","0.00018","90","","90","","90","","2577.95","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D4","- C19.6 H8 Al2 D7.2 O10 -","- C19.6416 H8 Al2 D7.2832 O10 -","- C78.5664 H32 Al8 D29.1328 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.015","","","","3.83","","","","has coordinates","216025","2020-10-21","18:00:00",""
"1551457","14.79549","0.00011","14.79549","0.00011","11.77847","0.0002","90","","90","","90","","2578.38","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D6","- C18.6 H8 Al2 D6.8 O10 -","- C18.7776 H8 Al2 D8.3328 O10 -","- C75.1104 H32 Al8 D33.3312 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.014","","","","4.17","","","","has coordinates","216026","2020-10-21","18:00:00",""
"1551478","38.1839","0.0002","38.1839","0.0002","57.9645","0.0004","90","","90","","120","","73190.3","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide","","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C2394 H2160 Br108 Cu54 N162 O567 S63 -","9","0.5","","Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie","An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links","Nature Chemistry","2015","7","","526","531","10.1038/nchem.2259","","","1.54184","CuKα","","0.1369","0.1302","","","0.3568","0.3698","","","","","","1.808","","","","has coordinates,has disorder","216050","2020-10-21","18:00:00",""
"1551538","11.726","0.003","17.511","0.005","17.758","0.005","90","","90","","90","","3646.3","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl F3 N2 -","- C45 H34 Cl F3 N2 -","- C180 H136 Cl4 F12 N8 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0767","0.0621","","","0.1447","0.1553","","","","","","1.061","","","","has coordinates","288183","2023-12-08","14:42:20",""
"1551539","11.095","0.003","15.395","0.005","16.048","0.007","86.404","0.019","88.39","0.02","71.517","0.018","2594.5","1.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 Cl3 F3 N O2 Si -","- C56 H57 Cl3 F3 N O2 Si -","- C112 H114 Cl6 F6 N2 O4 Si2 -","2","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1163","0.0888","","","0.2479","0.2685","","","","","","1.042","","","","has coordinates,has disorder","288183","2023-12-08","14:42:30",""
"1551540","7.973","0.0018","24.778","0.005","15.926","0.004","90","","101.836","0.005","90","","3079.4","1.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F3 O -","- C40 H33 F3 O -","- C160 H132 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1146","0.073","","","0.1845","0.2393","","","","","","1.098","","","","has coordinates","288183","2023-12-08","14:42:35",""
"1551541","8.6566","0.0007","19.9388","0.0016","22.106","0.002","90","","90","","90","","3815.5","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 F3 O -","- C50 H41 F3 O -","- C200 H164 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0602","0.0507","","","0.1289","0.1399","","","","","","1.085","","","","has coordinates","288183","2023-12-08","14:42:48",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","288183","2023-12-08","14:42:52",""
"1551619","18.388","0.005","10.355","0.003","19.159","0.005","90","","113.596","0.006","90","","3343","1.6","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 O7 -","- C17 H16 N4 O7 -","- C136 H128 N32 O56 -","8","1","","MIUKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of 1,3-Bis(5-nitrosalicylideneamino)-2-propanol","X-ray Structure Analysis Online","2015","31","0","55","","10.2116/xraystruct.31.55","","","0.71073","MoKα","","0.1175","0.0909","","","0.1653","0.173","","","","","","1.318","","","","has coordinates","216230","2020-10-21","18:00:00",""
"1551620","11.8846","0.0012","14.5812","0.0011","20.235","0.002","73.031","0.005","84.561","0.006","66.297","0.005","3069.9","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H84 B3 N3 Ni O7 -","- C69 H84 B3 N3 Ni O7 -","- C138 H168 B6 N6 Ni2 O14 -","2","1","","YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi","Structure of Bis(2,2&prime;-iminodiethanol-<i>N</i>,<i>O</i>,<i>O</i>&prime;)-Nickel(II) Hydrogen-Bonded to an Organoboron Coordination Complex","X-ray Structure Analysis Online","2015","31","0","19","","10.2116/xraystruct.31.19","","","0.71075","MoKα","","0.04","0.0366","","","0.0874","0.0901","","","","","","1.043","","","","has coordinates","216231","2020-10-21","18:00:00",""
"1551621","10.1","0.0018","14.544","0.003","17.861","0.004","83.619","0.01","85.295","0.01","73.839","0.008","2500.8","0.9","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H34 Cl2 F16 N8 Pd -","- C53 H34 Cl2 F16 N8 Pd0.5 -","- C106 H68 Cl4 F32 N16 Pd -","2","1","","MORIWAKI, Kazuhiro; AKASHI, Haruo","Synthesis and Crystal Structure of 5,10,15,20-Tetrakis(2,3,5,6-tetrafluoro-4-(dimethylamino)phenyl)porphyrinato)palladium(II)-dichloromethane (1/1)","X-ray Structure Analysis Online","2015","31","0","15","","10.2116/xraystruct.31.15","","","0.71075","MoKα","","","0.0458","","","","0.1243","","","","","","1.081","","","","has coordinates","216232","2020-10-21","18:00:00",""
"1551622","8.5059","0.0015","9.8815","0.0017","11.3339","0.0019","82.916","0.003","83.819","0.003","65.595","0.003","859.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N2 O10 V2 -","- C30 H52 N2 O10 V2 -","- C30 H52 N2 O10 V2 -","1","0.5","","MIKURIYA, Masahiro; FUKUTANI, Masami; YOSHIOKA, Daisuke","Synthesis and Crystal Structures of Dinuclear Dioxidovanadium(V) and Tetranuclear Oxidovanadium(IV) Complexes with 2,6-Bis(hydroxymethyl)-4-methylphenol","X-ray Structure Analysis Online","2015","31","0","33","","10.2116/xraystruct.31.33","","","0.71073","MoKα","","0.0594","0.0409","","","0.1022","0.1166","","","","","","0.93","","","","has coordinates","216233","2020-10-21","18:00:00",""
"1551623","10.731","0.014","11.373","0.015","11.558","0.015","104.28","0.03","112.76","0.02","108.23","0.02","1121","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 N2 O20 S2 V4 -","- C32 H58 N2 O20 S2 V4 -","- C32 H58 N2 O20 S2 V4 -","1","0.5","","MIKURIYA, Masahiro; FUKUTANI, Masami; YOSHIOKA, Daisuke","Synthesis and Crystal Structures of Dinuclear Dioxidovanadium(V) and Tetranuclear Oxidovanadium(IV) Complexes with 2,6-Bis(hydroxymethyl)-4-methylphenol","X-ray Structure Analysis Online","2015","31","0","33","","10.2116/xraystruct.31.33","","","0.71073","MoKα","","0.0658","0.0514","","","0.1398","0.1454","","","","","","0.972","","","","has coordinates","216234","2020-10-21","18:00:00",""
"1551624","10.054","0.005","8.466","0.004","12.924","0.007","90","","108.552","0.009","90","","1042.9","0.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N2 O3 Re S -","- C8 H11 N2 O3 Re S -","- C32 H44 N8 O12 Re4 S4 -","4","1","","MIKURIYA, Masahiro; WATANABE, Tetsuji; SUYAMA, Aiko; YOSHIOKA, Daisuke","Rhenium Complex with 2-[(2-Pyridylmethyl)amino]ethanethiol","X-ray Structure Analysis Online","2015","31","0","3","","10.2116/xraystruct.31.3","","","0.71073","MoKα","","0.0203","0.0195","","","0.0541","0.0545","","","","","","1.316","","","","has coordinates","216235","2020-10-21","18:00:00",""
"1551625","24.986","0.004","23.548","0.004","13.762","0.002","90","","101.358","0.002","90","","7939","2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C75 H69 N9 O6 S3 -","- C75 H69 N9 O6 S3 -","- C300 H276 N36 O24 S12 -","4","1","","ISHIMARU, Yoshihiro; SHIMOYAMA, Naoyuki; SHIBA, Haruaki; FUJIHARA, Takashi","<i>p</i>-Nitrophenyl[36]trithianonaphyrin(1.0.0.1.0.0.1.0.0) with a Weak Antiaromatic Character","X-ray Structure Analysis Online","2015","31","0","21","","10.2116/xraystruct.31.21","","","0.71073","MoKα","","0.1709","0.0656","","","0.1368","0.1633","","","","","","0.775","","","","has coordinates","216236","2020-10-21","18:00:00",""
"1551626","10.68","0.002","13.271","0.003","19.96","0.004","86.043","0.006","84.483","0.006","87.335","0.007","2806.9","1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 B2 N6 Ni O6 -","- C60 H70 B2 N6 Ni O6 -","- C120 H140 B4 N12 Ni2 O12 -","2","1","","SAKIYAMA, Hiroshi; MITSUHASHI, Ryoji; MIKURIYA, Masahiro","<i>Pseudo</i>-<i>S</i><sub>6</sub> Complex Cations of a Hexakis-<i>N</i>-methylformamide Nickel(II) Complex","X-ray Structure Analysis Online","2015","31","0","45","","10.2116/xraystruct.31.45","","","0.71073","MoKα","","0.0702","0.046","","","0.0886","0.0955","","","","","","0.973","","","","has coordinates","216237","2020-10-21","18:00:00",""
"1551627","11.4725","0.0016","12.4679","0.0017","16.113","0.002","77.391","0.002","75.265","0.002","85.548","0.002","2174.6","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 F6 N4 O6 Rh2 -","- C41 H49 F6 N4 O6 Rh2 -","- C82 H98 F12 N8 O12 Rh4 -","2","1","","HANDA, Makoto; TAKAHASHI, Kazuki; INOUE, Asami; IKEUE, Takahisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Crystal Structure of a Lantern-Type Dirhodium(II) Complex with a <i>cis</i>-(2:2) Arrangement of Two Formamidinato and Two Trifluoroacetato Bridges","X-ray Structure Analysis Online","2015","31","0","31","","10.2116/xraystruct.31.31","","","0.71073","MoKα","","0.0376","0.0275","","","0.061","0.0625","","","","","","0.92","","","","has coordinates","216238","2020-10-21","18:00:00",""
"1551628","8.496","0.0003","8.504","0.0002","17.2236","0.0006","90","","111.513","0.0015","90","","1157.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone","4-Hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos","Crystal Structure of 4-Hydroxy-3-methoxybenzaldehyde-4-methylthiosemicarbazone","X-ray Structure Analysis Online","2015","31","","5","","10.2116/xraystruct.31.5","","x-ray","0.71073","MoKα","","0.0682","0.0403","","","0.078","0.0876","","","","","","1.103","","","","has coordinates","291309","2024-04-22","11:39:10",""
"1551629","14.1757","0.0003","8.23382","0.00015","28.6476","0.0006","90","","102.007","0.0007","90","","3270.59","0.11","93","","93","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C128 H136 N8 O32 S16 -","8","2","","IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; TOMONO, Kazuo; ENDO, Tomohiro; UEDA, Haruhisa","Crystal Structure of an Epalrestat Methanol Solvate","X-ray Structure Analysis Online","2015","31","0","1","","10.2116/xraystruct.31.1","","","1.54187","CuKα","","","0.0337","","","","0.0883","","","","","","1.088","","","","has coordinates","216240","2020-10-21","18:00:00",""
"1551630","6.425","0.0018","8.495","0.003","16.665","0.006","93.09","0.02","98.399","0.018","110.373","0.014","838.1","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","KUBO, Kanji; MATSUMOTO, Taisuke; IDETA, Keiko; UJIIE, Seiji","Mesomorphic Property and Crystal Structure of 4-Carboxybenzylidene-4&prime;-hexylaniline","X-ray Structure Analysis Online","2015","31","0","39","","10.2116/xraystruct.31.39","","","0.71075","MoKα","","","0.0459","","","","0.1499","","","","","","0.951","","","","has coordinates","216241","2020-10-21","18:00:00",""
"1551631","9.9553","0.0013","13.7164","0.0019","14.724","0.002","90","","102.528","0.002","90","","1962.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H31 Cl2 N3 O S3 -","- C12 H30 Cl2 N3 O S3 -","- C48 H120 Cl8 N12 O4 S12 -","4","1","","MIKURIYA, Masahiro; MIYOSHI, Kazufumi; KURANO, Shuhei; TAGUCHI, Jun; KOTERA, Takanori; YOSHIOKA, Daisuke","Synthesis and Crystal Structure of 1,4,7-Tris(2-mercaptoethyl)-1,4,7-triazacyclononane","X-ray Structure Analysis Online","2015","31","0","59","","10.2116/xraystruct.31.59","","","0.71073","MoKα","","0.0619","0.0538","","","0.1394","0.1436","","","","","","1.165","","","","has coordinates","216242","2020-10-21","18:00:00",""
"1551632","12.666","0.002","12.687","0.002","15.113","0.003","90","","90","","90","","2428.6","0.7","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H28 Cu N6 O6 -","- C25 H28 Cu N6 O6 -","- C100 H112 Cu4 N24 O24 -","4","0.5","","SAGA, Makoto; SAKANE, Genta; YAMAZAKI, Shigeo; SAITO, Keiitsu","Crystal Structure of a Copper(II) Complex with <i>N</i>,<i>N</i>&prime;-Bis(2-methylquinolyl)-dimethyl-1,3-propanediamine","X-ray Structure Analysis Online","2015","31","0","41","","10.2116/xraystruct.31.41","","","0.71075","MoKα","","0.0437","0.0356","","","0.0956","0.0994","","","","","","1.041","","","","has coordinates","216243","2020-10-21","18:00:00",""
"1551633","5.6929","0.0005","13.3409","0.0013","9.5865","0.0009","90","","106.414","0.002","90","","698.41","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bi(3-(1-methylethoxy)-3-cyclobutene-1,2-dione","","- C14 H14 O6 -","- C14 H14 O6 -","- C28 H28 O12 -","2","0.5","","UEJI, Kan; TAMAKI, Yoshinori; MIYAMURA, Kazuo","Crystal Structure of 4,4&prime;-Bi(3-(1-methylethoxy)-3-cyclobutene-1,2-dione)","X-ray Structure Analysis Online","2015","31","0","57","","10.2116/xraystruct.31.57","","","0.71073","MoKα","","0.0683","0.0423","","","0.0894","0.0991","","","","","","0.903","","","","has coordinates","216244","2020-10-21","18:00:00",""
"1551634","11.608","0.002","11.608","0.002","16.717","0.004","90","","90","","90","","2252.5","0.8","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H54 Co4 N10 O12 -","- C36 H54 Co4 N10 O12 -","- C72 H108 Co8 N20 O24 -","2","0.25","","LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core","X-ray Structure Analysis Online","2015","31","0","49","","10.2116/xraystruct.31.49","","","0.71073","MoKα","","0.131","0.1046","","","0.2725","0.2786","","","","","","1.217","","","","has coordinates","216245","2020-10-21","18:00:00",""
"1551635","11.5812","0.0011","11.5812","0.0011","16.58","0.002","90","","90","","90","","2223.8","0.4","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C36 H54 N10 Ni4 O12 -","- C36 H54 N10 Ni4 O12 -","- C72 H108 N20 Ni8 O24 -","2","0.25","","LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core","X-ray Structure Analysis Online","2015","31","0","49","","10.2116/xraystruct.31.49","","","0.71073","MoKα","","0.0356","0.0288","","","0.0818","0.0842","","","","","","1.057","","","","has coordinates","216246","2020-10-21","18:00:00",""
"1551636","21.267","0.003","18.25","0.002","10.1715","0.0013","90","","99.716","0.003","90","","3891.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 Cu2 N2 O8 -","- C32 H48 Cu2 N2 O8 -","- C128 H192 Cu8 N8 O32 -","4","0.5","","MIKURIYA, Masahiro; YANO, Mari; TAKAHASHI, Naoya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Copper(II) Pivalate and 1,2-Bis(4-pyridyl)ethane in Relation to Adsorption Property for N<sub>2</sub>","X-ray Structure Analysis Online","2015","31","0","47","","10.2116/xraystruct.31.47","","","0.71073","MoKα","","0.103","0.0509","","","0.1228","0.136","","","","","","0.828","","","","has coordinates","216247","2020-10-21","18:00:00",""
"1551637","13.273","0.003","9.7015","0.0019","18.444","0.007","90","","109.5","0.03","90","","2238.8","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O3 P -","- C26 H28 N O3 P -","- C104 H112 N4 O12 P4 -","4","1","","MARANDI, Pari; RAISSI SHABARI, Akbar; KHOSRAVI, Morteza; POURAYOUBI, Mehrdad","Synthesis and Crystal Structure of a New Hydrated Phosphinate Salt, [(C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>)<sub>2</sub>NH<sub>2</sub>][(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>P(O)(O)]&middot;H<sub>2</sub>O","X-ray Structure Analysis Online","2015","31","0","37","","10.2116/xraystruct.31.37","","","0.71073","MoKα","","0.0669","0.0458","","","0.0961","0.1019","","","","","","1.04","","","","has coordinates","216248","2020-10-21","18:00:00",""
"1551638","31.61","0.02","7.686","0.005","12.807","0.008","90","","97.643","0.019","90","","3084","3","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H50 N2 O4 -","- C34 H50 N2 O4 -","- C136 H200 N8 O16 -","4","0.5","","KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of <i>N</i>,<i>N</i>&prime;-Bis(5-octyloxytropon-2-yl)piperazine","X-ray Structure Analysis Online","2015","31","0","43","","10.2116/xraystruct.31.43","","","0.71075","MoKα","","","0.0826","","","","0.2148","","","","","","1.128","","","","has coordinates","216249","2020-10-21","18:00:00",""
"1551639","10.9801","0.0015","22.581","0.003","23.805","0.003","72.198","0.002","87.088","0.002","88.497","0.003","5612","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 B2 Co N6 O6 -","- C60 H70 B2 Co N6 O6 -","- C240 H280 B8 Co4 N24 O24 -","4","2","","YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Structural Feature of an Hexakis-<i>N</i>-methylformamide Cobalt(II) Complex: <i>Pseudo</i>-<i>S</i><sub>6</sub> and <i>Pseudo</i>-<i>C</i><sub>2</sub> Complex Cations","X-ray Structure Analysis Online","2015","31","0","7","","10.2116/xraystruct.31.7","","","0.71073","MoKα","","0.0769","0.0381","","","0.0709","0.0839","","","","","","0.808","","","","has coordinates","216250","2020-10-21","18:00:00",""
"1551640","8.9849","0.0011","12.53","0.0015","17.441","0.002","90","","90","","90","","1963.5","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3<i>β</i>-Propanoyloxyandrost-5-en-17-one","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","","Ortiz, Aylin Viviana Silva; Cabeza, Marisa; Bratoeff, Eugene; Soriano-García, Manuel","Crystal Structure and Synthesis of Two Steroidal Derivatives: 3<i>β</i>-Propanoyloxyandrost-5-en-17-one and 3<i>β</i>-Pentanoyloxyandrost-5-en-17-one","X-ray Structure Analysis Online","2015","31","0","9","","10.2116/xraystruct.31.9","","","0.71073","MoKα","","0.1193","0.0607","","","0.1282","0.152","","","","","","1.02","","","","has coordinates","256301","2020-10-21","18:00:00",""
"1551641","12.2123","0.0015","12.5684","0.0016","12.9841","0.0016","100.526","0.002","107.424","0.0019","116.156","0.0019","1587.4","0.3","100","","100","","","","","","","","","6","P 1","P 1","1","","Bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate","","- C70 H88 B2 Cu N4 O4 -","- C70 H88 B2 Cu N4 O4 -","- C70 H88 B2 Cu N4 O4 -","1","1","","MATSUI, Chihiro; OKAWARA, Toru; NAGAMURA, Toshihiko; TAKEHARA, Kenji","Crystal Structure of Bis(acetone-<i>&kappa;</i><i>O</i>)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate","X-ray Structure Analysis Online","2015","31","0","53","","10.2116/xraystruct.31.53","","","0.71073","MoKα","","0.0471","0.0392","","","0.0941","0.0999","","","","","","1.039","","","","has coordinates,has disorder","216252","2020-10-21","18:00:00",""
"1551642","6.4713","0.0003","6.7196","0.0003","17.9369","0.0007","90","","90","","90","","779.98","0.06","123","2","123","2","","","101.3","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C28 H44 N4 O12 -","4","1","","INADA, Aya; KANAZAWA, Hitoshi; UEKUSA, Hidehiro","Crystal Structure of <font size=-1>L</font>-Isoleucine <i>N</i>-Carboxy Anhydride","X-ray Structure Analysis Online","2015","31","0","17","","10.2116/xraystruct.31.17","","","1.54186","CuKα","","0.056","0.0484","","","0.1207","0.1332","","","","","","1.091","","","","has coordinates","216253","2020-10-21","18:00:00",""
"1551643","12.4671","0.0016","10.1719","0.0013","29.292","0.004","90","","101.26","0.003","90","","3643.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl4 Co2 N10 -","- C30 H40 Cl4 Co2 N10 -","- C120 H160 Cl16 Co8 N40 -","4","1","","LIM, Jongwan; SON, Young; GU, Gimoon; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Dinuclear Cobalt(II) Complex with <i>N</i>,<i>N</i>,<i>N</i>&prime;,<i>N</i>&prime;-Tetrakis(3,5-dimethyl-1-pyrazolyl)methyl-1,4-phenylenediamine Having a Tetrahedral Coordination Geometry","X-ray Structure Analysis Online","2015","31","0","25","","10.2116/xraystruct.31.25","","","0.71073","MoKα","","0.1217","0.0589","","","0.1034","0.1203","","","","","","0.923","","","","has coordinates","216254","2020-10-21","18:00:00",""
"1551644","24.679","0.004","9.873","0.004","9.253","0.005","90","","90","","90","","2254.5","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl F N O2 -","- C10 H13 Cl F N O2 -","- C80 H104 Cl8 F8 N8 O16 -","8","1","","Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane","Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine","X-ray Structure Analysis Online","2015","31","","23","","10.2116/xraystruct.31.23","","","1.5418","CuKα","","0.0993","0.0601","","","0.1479","0.173","","","","","","1.062","","","","has coordinates","291310","2024-04-22","11:56:54",""
"1551645","9.837","0.004","13.221","0.003","16.325","0.006","90","","107.914","0.015","90","","2020.2","1.2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C108 H76 N4 O8 -","4","1","","AKITA, Motoko; KIMURA, Yuko; KOBAYASHI, Keiji","Crystal Structure of 2-(<i>p</i>-Anilinophenyl)-2-phenylindan-1,3-dione and Its Unexpected Formation","X-ray Structure Analysis Online","2015","31","0","13","","10.2116/xraystruct.31.13","","","0.71075","MoKα","","","0.0388","","","","0.1011","","","","","","1.037","","","","has coordinates","216256","2020-10-21","18:00:00",""
"1551646","8.7451","0.0009","15.1964","0.0013","6.9425","0.0006","90","","113.561","0.002","90","","845.7","0.14","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","","AKITA, Motoko; KASONO, Masaki; KOBAYASHI, Keiji","Crystal Structure of 3,3&prime;-Ethanediylidenebis(1-ethylindoline-2-one): An Unexpected Byproduct in <i>N</i>-Ethylation of Isatin in Tetrahydrofurane","X-ray Structure Analysis Online","2015","31","0","11","","10.2116/xraystruct.31.11","","","0.71075","MoKα","","","0.0434","","","","0.1188","","","","","","1.046","","","","has coordinates","216257","2020-10-21","18:00:00",""
"1551647","9.4884","0.0006","9.5235","0.0006","18.154","0.0013","90","","95.203","0.0018","90","","1633.69","0.19","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br O4 S -","- C17 H17 Br O4 S -","- C68 H68 Br4 O16 S4 -","4","1","","KUBO, Kanji; MATSUMOTO, Taisuke","Crystal Structure of 7-Bromo-4-isopropyl-2-[[(4-methylphenyl)sulfonyl]oxy]-tropone","X-ray Structure Analysis Online","2015","31","0","29","","10.2116/xraystruct.31.29","","","0.71075","MoKα","","","0.0486","","","","0.1211","","","","","","1.392","","","","has coordinates","216258","2020-10-21","18:00:00",""
"1551844","23.6365","0.0015","23.6365","0.0015","7.1651","0.0006","90","","90","","90","","4003","0.5","295.65","","295.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1a","tetrakis(4-((E)-phenyldiazenyl)phenyl)methane","","- C49 H36 N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.1546","0.0611","","","0.1585","0.1836","","","","","","0.85","","","","has coordinates","216465","2020-10-21","18:00:00",""
"1551845","24.2515","0.0011","24.2515","0.0011","7.7078","0.0005","90","","90","","90","","4533.2","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form I","","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.2338","0.066","","","0.1519","0.2275","","","","","","0.941","","","","has coordinates,has disorder","216466","2020-10-21","18:00:00",""
"1551846","24.072","0.002","24.072","0.002","7.4555","0.0012","90","","90","","90","","4320.2","0.9","297.65","","297.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form II","tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.3267","0.0903","","","0.1848","0.2853","","","","","","0.955","","","","has coordinates","216467","2020-10-21","18:00:00",""
"1551847","20.205","0.005","20.205","0.005","7.278","0.002","90","","90","","90","","2971.2","1.3","296","","296","","","","","","","","","3","I -4","I -4","82","E4-1c","tetrakis(4-((E)-(4-(tert-butyl)phenyl)diazenyl)phenyl)methane","","- C16.25 H17 N2 -","- C16.25 H17 N2 -","- C130 H136 N16 -","8","1","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.4675","0.1362","","","0.266","0.4348","","","","","","0.94","","","","has coordinates","216468","2020-10-21","18:00:00",""
"1551923","19.4062","0.0015","30.4471","0.0016","19.8996","0.0008","90","","101.576","0.006","90","","11518.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H72 Cl6 N18 O27 -","- C80.5 H74 Cl2 N14 O11 -","- C322 H296 Cl8 N56 O44 -","4","1","","Hao Li; Huacheng Zhang; Aaron D. Lammer; Ming Wang; Xiaopeng Li; Vincent M. Lynch; Jonathan L. Sessler","Quantitative self-assembly of a purely organic three-dimensional catenane in water","Nature Chemistry","2015","7","","1003","1008","10.1038/nchem.2392","","","1.54184","CuKα","","0.2648","0.144","","","0.4037","0.451","","","","","","1.031","","","","has coordinates","216652","2020-10-21","18:00:00",""
"1551959","7.0956","0.0002","11.5517","0.0003","24.171","0.0017","90","","90","","90","","1981.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez","Synthesis of marmycin A and investigation into its cellular activity","Nature Chemistry","2015","7","","744","751","10.1038/nchem.2302","","","1.54187","CuKα","","0.1324","0.0612","","","0.1471","0.2174","","","","","","0.993","","","","has coordinates","216723","2020-10-21","18:00:00",""
"1551960","9.8002","0.0008","11.4061","0.001","30.952","0.003","90","","90","","90","","3459.9","0.5","100","2","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C34.48 H34.96 Cl0.96 O14 -","- C34.478 H34.956 Cl0.956 O14 -","- C137.912 H139.824 Cl3.824 O56 -","4","0.5","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0398","0.0394","","","0.1254","0.1259","","","","","","1.217","","","","has coordinates,has disorder","216724","2020-10-21","18:00:00",""
"1551961","11.3036","0.0004","15.895","0.0005","11.5465","0.0004","90","","111.075","0.001","90","","1935.8","0.11","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O16 -","- C40 H42 O16 -","- C80 H84 O32 -","2","1","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0272","0.027","","","0.074","0.0741","","","","","","1.05","","","","has coordinates,has disorder","216725","2020-10-21","18:00:00",""
"1551962","20.8958","0.0002","12.54925","0.00011","16.04531","0.00016","90","","90","","90","","4207.51","0.07","120","2","120","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1377","0.1376","","","0.3172","0.3173","","","","","","1.185","","","","has coordinates","216726","2020-10-21","18:00:00",""
"1551963","16.04632","0.00014","12.55844","0.00013","20.9096","0.0002","90","","90","","90","","4213.63","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1059","0.1052","","","0.2533","0.2537","","","","","","1.302","","","","has coordinates,has disorder","216727","2020-10-21","18:00:00",""
"1551964","16.2073","0.0003","19.3582","0.0003","24.0982","0.0004","90","","104.211","0.0018","90","","7329.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H116 As K N4 O10 Si3 U -","- C61 H116 As K N4 O10 Si3 U -","- C244 H464 As4 K4 N16 O40 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0756","0.0652","","","0.1762","0.1859","","","","","","1.031","","","","has coordinates,has disorder","216728","2020-10-21","18:00:00",""
"1551965","17.84985","0.00019","34.2192","0.0003","32.8697","0.0003","90","","97.2734","0.0009","90","","19915.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.4 H82.5 As K2 N4 Si3 U -","- C37.5 H79.5 As K2 N4 Si3 U -","- C600 H1272 As16 K32 N64 Si48 U16 -","16","4","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1293","0.1266","","","0.3242","0.3264","","","","","","1.043","","","","has coordinates,has disorder","279817","2022-12-09","07:50:40",""
"1551966","15.3188","0.0003","18.8965","0.0004","24.8556","0.0003","88.3008","0.0013","89.3347","0.0014","68.8052","0.0019","6705.3","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H115.5 As K N6 O6 Si3 U -","- C51 H112 As K N6 O6 Si3 U -","- C204 H448 As4 K4 N24 O24 Si12 U4 -","4","2","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0577","0.053","","","0.1422","0.1471","","","","","","0.962","","","","has coordinates,has disorder","279817","2022-12-09","07:50:46",""
"1551967","13.1907","0.0004","20.1898","0.0005","22.7981","0.0006","90","","105.065","0.003","90","","5862.9","0.3","120","2","120","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C101 H198 As3 K N8 O10 Si6 U2 -","- C101 H198 As3 K N8 O10 Si6 U2 -","- C202 H396 As6 K2 N16 O20 Si12 U4 -","2","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0717","0.0634","","","0.1608","0.1668","","","","","","1.042","","","","has coordinates,has disorder","216731","2020-10-21","18:00:00",""
"1551968","5.556","0.008","5.842","0.008","10.511","0.017","90","","93.54","0.04","90","","340.5","0.9","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 F6 -","- C6 H6 F6 -","- C12 H12 F12 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.0639","0.0604","","","0.1496","0.1519","","","","","","1.036","","","","has coordinates","216732","2020-10-21","18:00:00",""
"1551969","11.166","0.003","12.913","0.003","8.653","0.003","90","","90","","90","","1247.6","0.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0374","0.0344","","","0.0742","0.0768","","","","","","1.061","","","","has coordinates","216733","2020-10-21","18:00:00",""
"1551970","11.4368","0.0014","11.7139","0.0014","10.7701","0.0013","90","","90","","90","","1442.9","0.3","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H8 F4 O2 -","- C6 H8 F4 O2 -","- C48 H64 F32 O16 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.028","0.0276","","","0.0701","0.0704","","","","","","1.09","","","","has coordinates","216734","2020-10-21","18:00:00",""
"1551971","5.7119","0.0015","5.5655","0.0015","11.244","0.003","90","","93.724","0.008","90","","356.69","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F5 O -","- C6 H7 F5 O -","- C12 H14 F10 O2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.1095","0.0659","","","0.1286","0.1451","","","","","","1.063","","","","has coordinates","216735","2020-10-21","18:00:00",""
"1551972","5.6059","0.0014","7.4253","0.0017","13.076","0.003","90","","97.192","0.003","90","","540","0.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F8 O3 S -","- C7 H6 F8 O3 S -","- C14 H12 F16 O6 S2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0533","0.0522","","","0.1251","0.1257","","","","","","1.059","","","","has coordinates","216736","2020-10-21","18:00:00",""
"1552503","2.85107","0.00002","9.4893","0.00008","9.67853","0.00008","90","","90","","90","","261.849","0.004","","","","","","","","","","","","3","C m c m","-C 2c 2","63","MgCr2O4 CT","","MgCr2O4 with CaTi2O4-type structure","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr8 Mg4 O16 -","4","0.25","","Ishii, T.; Kojitani, H.; Fujino, K.; Yusa, H.; Mori, D.; Inaguma, Y.; Matsushita, Y.; Yamamura, K.; Akaogi, M.","High-pressure high-temperature transitions in MgCr2O4 and crystal structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with implications for ultrahigh-pressure chromitites in ophiolites","American Mineralogist","2015","100","","59","65","10.2138/am-2015-4818","","","","","","","","","","","","","","","","","","","","","has coordinates","220514","2020-10-21","18:00:00",""
"1552953","6.5913","0.0005","13.2499","0.001","17.1269","0.0012","97.941","0.004","94.83","0.004","96.958","0.004","1462.74","0.19","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H69.4 N4 O12.7 P4 -","- C61 H68 N4 O12.7 P4 -","- C61 H68 N4 O12.7 P4 -","1","0.5","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.1274","0.08","","","0.2263","0.259","","","","","","1.06","","","","has coordinates,has disorder","231206","2020-10-21","18:00:00",""
"1552954","13.1137","0.0009","13.9435","0.001","17.8162","0.0013","70.854","0.002","82.606","0.002","77.84","0.002","3002.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N6 O12 P4 -","- C48 H48 N6 O12 P4 -","- C96 H96 N12 O24 P8 -","2","1","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.1338","0.0885","","","0.2302","0.2566","","","","","","1.026","","","","has coordinates,has disorder","231206","2020-10-21","18:00:00",""
"1552955","8.381","0.002","19.609","0.006","17.205","0.005","90","","101.644","0.008","90","","2769.3","1.3","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H28 N4 O20 P4 S2 -","- C44 H28 N4 O20 P4 S2 -","- C88 H56 N8 O40 P8 S4 -","2","0.5","","Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C","Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene.","Analytical chemistry","2015","87","8","4515","4522","10.1021/acs.analchem.5b00772","","","0.71073","MoKα","","0.2521","0.2058","","","0.5533","0.5896","","","","","","2.57","","","","has coordinates","231206","2020-10-21","18:00:00",""
"1553040","18.2388","0.0011","14.6418","0.0008","20.7375","0.0012","90","","90.251","0.002","90","","5537.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O6 S -","- C27 H31 N O6 S -","- C216 H248 N8 O48 S8 -","8","4","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.2011","0.0663","","","0.1128","0.1593","","","","","","0.994","","","","has coordinates","232992","2020-10-21","18:00:00",""
"1553041","8.893","0.0002","20.6873","0.0004","9.7453","0.0002","90","","105.318","0.001","90","","1729.17","0.06","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H42 Au Cl N O2 P -","- C38 H42 Au Cl N O2 P -","- C76 H84 Au2 Cl2 N2 O4 P2 -","2","1","","Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang","Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes","Organic Chemistry Frontiers","2015","2","3","221","","10.1039/C4QO00261J","","","0.71073","MoKα","","0.0281","0.0245","","","0.0557","0.057","","","","","","1.05","","","","has coordinates","232992","2020-10-21","18:00:00",""
"1553042","15.865","0.004","16.43","0.004","14.961","0.004","90","","90","","90","","3899.8","1.7","173","2","173","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- C92 H98 N8 -","- C92 H98 N8 -","- C184 H196 N16 -","2","0.5","","Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko","Chiroptical sensing of oligonucleotides with a cyclic octapyrrole","Organic Chemistry Frontiers","2015","2","1","29","","10.1039/C4QO00268G","","","0.71073","MoKα","","0.0511","0.0433","","","0.1077","0.1132","","","","","","1.034","","","","has coordinates,has disorder","232994","2020-10-21","18:00:00",""
"1553043","10.255","0.001","10.8108","0.0012","15.4763","0.0016","90","","90","","90","","1715.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C‒H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0752","0.05","","","0.1129","0.129","","","","","","1.049","","","","has coordinates","232996","2020-10-21","18:00:00",""
"1553044","10.5428","0.0012","16.2625","0.0012","10.8624","0.0015","90","","118.846","0.016","90","","1631.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O2 -","- C17 H17 F3 N2 O2 -","- C68 H68 F12 N8 O8 -","4","1","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C‒H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0864","0.0549","","","0.1359","0.1572","","","","","","1.065","","","","has coordinates","232996","2020-10-21","18:00:00",""
"1553045","8.0742","0.0005","12.4409","0.001","17.6473","0.0012","71.94","0.007","79.009","0.006","72.177","0.006","1595.4","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","2","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C‒H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0891","0.0554","","","0.1451","0.1689","","","","","","1.027","","","","has coordinates","232996","2020-10-21","18:00:00",""
"1553046","9.5524","0.0009","13.2533","0.0012","18.9296","0.0018","101.946","0.001","101.154","0.001","103.248","0.001","2208","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 F10 Ir N11 P -","- C40 H27 F10 Ir N9 P -","- C80 H54 F20 Ir2 N18 P2 -","2","1","","Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential","Organic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QO00281D","","","0.71073","MoKα","","0.0357","0.0296","","","0.074","0.0763","","","","","","0.88","","","","has coordinates","232998","2020-10-21","18:00:00",""
"1553047","11.0054","0.0012","14.2851","0.0015","21.789","0.002","71.698","0.002","89.997","0.002","67.306","0.002","2971.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H23 F2 Ir N8 O -","- C34 H23 F2 Ir N8 O -","- C136 H92 F8 Ir4 N32 O4 -","4","2","","Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential","Organic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QO00281D","","","0.71073","MoKα","","0.0479","0.0313","","","0.0754","0.0824","","","","","","1.03","","","","has coordinates","232998","2020-10-21","18:00:00",""
"1553048","10.8466","0.0008","23.0405","0.0016","10.6995","0.0008","90","","102.658","0.001","90","","2608.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O3 S Si -","- C27 H33 N O3 S Si -","- C108 H132 N4 O12 S4 Si4 -","4","1","","Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan","Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives","Organic Chemistry Frontiers","2015","2","2","145","","10.1039/C4QO00286E","","","0.71073","MoKα","","0.0638","0.047","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates,has disorder","233000","2020-10-21","18:00:00",""
"1553049","32.673","0.002","12.2122","0.0008","12.9554","0.0009","90","","92.633","0.002","90","","5163.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cd214703","","- C26 H28 Cl N O3 S Si -","- C26 H28 Cl N O3 S Si -","- C208 H224 Cl8 N8 O24 S8 Si8 -","8","1","","Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan","Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives","Organic Chemistry Frontiers","2015","2","2","145","","10.1039/C4QO00286E","","","0.71073","MoKα","","0.0564","0.0459","","","0.1166","0.1241","","","","","","1.021","","","","has coordinates","233000","2020-10-21","18:00:00",""
"1553050","17.5053","0.0019","20.281","0.002","21.1684","0.0018","90","","90","","90","","7515.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H53 B11 N2 -","- C32 H53 B11 N2 -","- C256 H424 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.2374","0.0733","","","0.1637","0.2567","","","","","","0.996","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553051","17.474","0.002","20.161","0.002","21.123","0.002","90","","90","","90","","7441.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H55 B11 N2 -","- C32 H55 B11 N2 -","- C256 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1324","0.0646","","","0.1543","0.1982","","","","","","0.948","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553052","11.591","0.003","15.516","0.004","16.796","0.004","90","","90","","90","","3020.7","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 B11 N2 -","- C26 H43 B11 N2 -","- C104 H172 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1916","0.0773","","","0.1748","0.2472","","","","","","1.058","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553053","10.343","0.004","18.963","0.007","22.347","0.009","90","","90","","90","","4383","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 B11 N2 O -","- C41 H63 B11 N2 O -","- C164 H252 B44 N8 O4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1555","0.0834","","","0.1844","0.2188","","","","","","0.908","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553054","17.5189","0.0009","20.3686","0.0012","21.3348","0.0013","90","","90","","90","","7613","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H55 B11 N2 -","- C33 H55 B11 N2 -","- C264 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1259","0.056","","","0.1254","0.1681","","","","","","1.032","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553055","10.2998","0.0006","16.7445","0.001","19.7479","0.0012","90","","101.979","0.001","90","","3331.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H43 B11 N2 -","- C27 H43 B11 N2 -","- C108 H172 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.0883","0.0653","","","0.2083","0.2231","","","","","","1.096","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553056","10.4375","0.0006","19.3175","0.0009","22.8874","0.0013","90","","90","","90","","4614.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 B11 N2 -","- C39 H59 B11 N2 -","- C156 H236 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1296","0.0585","","","0.1179","0.1379","","","","","","0.893","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553057","9.2469","0.0006","12.1137","0.0007","17.1803","0.0011","90","","99.893","0.002","90","","1895.8","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O2 S -","- C20 H23 N3 O2 S -","- C80 H92 N12 O8 S4 -","4","1","","Zhu, Tong-Hao; Wei, Tian-Qi; Wang, Shun-Yi; Ji, Shun-Jun","NIS/CHP-mediated reaction of isocyanides with hydrazones: access to aminopyrazoles","Organic Chemistry Frontiers","2015","2","3","259","","10.1039/C4QO00289J","","","0.71073","MoKα","","0.0775","0.0485","","","0.1168","0.1333","","","","","","1.05","","","","has coordinates","288248","2023-12-12","12:55:26",""
"1553058","10.943","0.003","12.564","0.004","18.454","0.005","90","","90","","90","","2537.2","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","1","","Sun, Qiang-Sheng; Chen, Xiao-Yang; Zhu, Hua; Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Asymmetric synthesis of poly-substituted spirocyclohexane oxindole via a squaramide catalyzed cascade Michael‒Michael‒aldol sequence","Organic Chemistry Frontiers","2015","2","2","110","","10.1039/C4QO00299G","","","0.71073","MoKα","","0.0744","0.0488","","","0.1112","0.1222","","","","","","1.024","","","","has coordinates","233007","2020-10-21","18:00:00",""
"1553059","6.6023","0.0006","7.8736","0.0007","32.754","0.003","90","","90","","90","","1702.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","","Li, Ying-Zi; Wang, Jie; Sun, Wang-Bin; Shan, Yi-Fan; Sun, Bing-Feng; Lin, Guo-Qiang; Zou, Jian-Ping","Enantioselective synthesis of bicyclo[2.2.2]octane-1-carboxylates under metal free conditions","Organic Chemistry Frontiers","2015","2","3","274","","10.1039/C4QO00311J","","","0.71073","MoKα","","0.0631","0.0453","","","0.1113","0.1189","","","","","","1.061","","","","has coordinates","233009","2020-10-21","18:00:00",""
"1553060","8.7741","0.0001","9.7409","0.0001","14.5365","0.0001","90","","90","","90","","1242.4","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L.","4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes","Organic Chemistry Frontiers","2015","2","3","206","","10.1039/C4QO00316K","","","1.54184","CuKα","","0.0208","0.0205","","","0.0551","0.0553","","","","","","1.102","","","","has coordinates","233010","2020-10-21","18:00:00",""
"1553061","3.9045","0.0001","9.1939","0.0003","22.5383","0.0007","88.422","0.002","88.131","0.001","78.161","0.001","791.26","0.04","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","2","","Wang, Qiang; Xu, Qin; Shi, Min","Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations","Organic Chemistry Frontiers","2015","2","3","211","","10.1039/C4QO00323C","","","1.54178","CuKα","","0.0512","0.0481","","","0.1457","0.1504","","","","","","1.071","","","","has coordinates","233012","2020-10-21","18:00:00",""
"1553062","8.1086","0.0014","8.8324","0.0016","13.26","0.002","108.838","0.003","97.636","0.004","94.663","0.004","883","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Wang, Qiang; Xu, Qin; Shi, Min","Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations","Organic Chemistry Frontiers","2015","2","3","211","","10.1039/C4QO00323C","","","0.71073","MoKα","","0.0869","0.0682","","","0.1926","0.2173","","","","","","1.05","","","","has coordinates","233012","2020-10-21","18:00:00",""
"1553063","18.4165","0.0003","18.4165","0.0003","27.9044","0.0007","90","","90","","90","","9464.3","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C77 H89 Br4 Cl3 F8 I4 N4 O8 -","- C76.74 H88.24 Br4 Cl2.22 F8 I4 N4 O8 -","- C306.96 H352.96 Br16 Cl8.88 F32 I16 N16 O32 -","4","0.25","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","x-ray","1.54184","CuKα","","0.1264","0.1053","","","0.3","0.3286","","","","","","1.015","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553064","23.3371","0.0003","23.5232","0.0002","27.0473","0.0003","90","","90","","90","","14848","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H114 Br4 Cl2 N4 O9 -","- C72 H114 Br4 Cl2 N4 O9 -","- C576 H912 Br32 Cl16 N32 O72 -","8","1","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","","1.5418","CuKα","","0.0905","0.0778","","","0.2208","0.2411","","","","","","1.051","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553065","24.849","0.003","4.7231","0.0005","14.8643","0.0017","90","","103.467","0.002","90","","1696.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3RS, 4RS)-N-methoxy-3-chloro-4-hydroxy-2,3,4,7-tetrahydro-1H-azepine","","- C7 H7 Cl N O2 -","- C7 H12 Cl N O2 -","- C56 H96 Cl8 N8 O16 -","8","1","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0797","0.0562","","","0.1727","0.1969","","","","","","1","","","","has coordinates,has disorder","233017","2020-10-21","18:00:00",""
"1553066","9.9549","0.0004","11.3328","0.0005","11.8818","0.0005","106.461","0.0007","101.618","0.0007","100.174","0.0007","1219.6","0.09","100","2","99.65","","","","","","","","","4","P -1","-P 1","2","","(2RS, 3RS)-N-phenylmethoxy-2-hydroxymethyl-3-hydroxy-1,2,3,6-tetrahydropyridine","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","2","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0618","0.0367","","","0.0677","0.0727","","","","","","1","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553067","5.3906","0.0003","15.9299","0.0009","17.3564","0.001","112.457","0.0011","97.7331","0.0011","99.3952","0.0011","1326.85","0.13","100","2","99.65","","","","","","","","","4","P -1","-P 1","2","","(2RS,3RS,4SR,5RS)-N-phenylmethoxy-2-hydroxymethyl-3,4,5-trihydroxypiperidine","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","2","","Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S.","New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction","Organic Chemistry Frontiers","2015","2","5","497","","10.1039/C4QO00330F","","","0.71073","MoKα","","0.0775","0.0467","","","0.1191","0.1352","","","","","","1","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553068","7.1432","0.0004","8.4932","0.0004","10.1874","0.0005","99.388","0.002","97.577","0.002","106.771","0.002","573.27","0.05","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0375","0.034","","","0.0871","0.0899","","","","","","1.048","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553069","7.0179","0.0008","4.6365","0.0004","29.074","0.003","90","","92.757","0.003","90","","944.93","0.17","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","0.5","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0705","0.0445","","","0.0972","0.1093","","","","","","1.048","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553070","18.2723","0.0016","5.5654","0.0004","8.7266","0.0007","90","","103.633","0.004","90","","862.43","0.12","193","2","193","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0506","0.0412","","","0.1059","0.1114","","","","","","1.039","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553071","11.008","0.003","7.5883","0.0019","19.571","0.005","90","","90.988","0.01","90","","1634.6","0.7","193","2","193","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.1856","0.0704","","","0.1292","0.172","","","","","","0.972","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553072","9.1264","0.0005","9.7169","0.0006","10.2731","0.0007","95.504","0.004","91.157","0.004","101.221","0.004","888.78","0.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C44 H46 N2 O4 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","","0.71073","MoKα","","0.0822","0.0587","","","0.1776","0.217","","","","","","1.079","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553073","5.6257","0.0007","19.7469","0.0019","23.768","0.002","79.737","0.006","88.28","0.007","82.746","0.007","2577.3","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C120 H108 N24 O12 -","6","3","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","","0.71073","MoKα","","0.147","0.0759","","","0.1565","0.1814","","","","","","1.075","","","","has coordinates,has disorder","233021","2020-10-21","18:00:00",""
"1553074","7.1728","0.0002","8.0196","0.0002","12.8455","0.0004","84.142","0.002","89.687","0.002","87.901","0.002","734.56","0.04","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H13 N O4 -","- C20 H13 N O4 -","- C40 H26 N2 O8 -","2","1","","Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat","Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds","Organic Chemistry Frontiers","2015","2","4","312","","10.1039/C4QO00338A","","x-ray","0.71073","MoKα","","0.0478","0.0379","","","0.0976","0.1044","","","","","","1.028","","","","has coordinates","233021","2020-10-21","18:00:00",""
"1553075","9.9162","0.0008","14.8123","0.0011","7.3118","0.0006","90","","90","","90","","1073.97","0.15","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H9 N7 O -","- C9 H9 N7 O -","- C36 H36 N28 O4 -","4","1","","Quinodoz, Pierre; Lo, Cheikh; Kletskii, Mikhail; Burov, Oleg; Marrot, Jérôme; Couty, François","Regio- and stereoselective synthesis of α-hydroxy-β-azido tetrazoles","Organic Chemistry Frontiers","2015","2","5","492","","10.1039/C4QO00345D","","","0.71073","MoKα","","0.0476","0.0368","","","0.0819","0.0874","","","","","","1.055","","","","has coordinates","233023","2020-10-21","18:00:00",""
"1553076","10.3879","0.0015","10.3879","0.0015","24.218","0.005","90","","90","","120","","2263.2","0.7","296","2","296","2","","","","","","","","5","P 32","P 32","145","","QM-1","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C90 H78 N6 O30 S6 -","6","2","","Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin","Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism","Organic Chemistry Frontiers","2015","2","4","398","","10.1039/C4QO00347K","","","1.54178","CuKα","","0.0328","0.0326","","","0.0873","0.0875","","","","","","1.094","","","","has coordinates","233025","2020-10-21","18:00:00",""
"1553083","19.6299","0.0009","19.4566","0.0009","12.265","0.0006","90","","101.938","0.002","90","","4583.1","0.4","150","2","150.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 B F10 N2 -","- C23 H21 B F10 N2 -","- C184 H168 B8 F80 N16 -","8","2","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0873","0.0512","","","0.1218","0.1391","","","","","","1.0948","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553084","11.5423","0.0018","12.863","0.002","15.801","0.002","90","","93.409","0.006","90","","2341.8","0.6","150","2","149.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18.711 B F10 N2 -","- C23 H18.71 B F10 N2 -","- C92 H74.84 B4 F40 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1322","0.0754","","","0.154","0.1836","","","","","","1.0563","","","","has coordinates,has disorder","233278","2020-10-21","18:00:00",""
"1553085","16.756","0.003","19.073","0.004","15.93","0.003","90","","90","","90","","5091","1.7","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C29 H39 B N2 -","- C29 H39 B N2 -","- C232 H312 B8 N16 -","8","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.1108","0.061","","","0.1439","0.1722","","","","","","1.024","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553086","8.4021","0.0011","10.0498","0.0013","9.2882","0.001","90","","93.645","0.006","90","","782.7","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 B N2 -","- C18 H25 B N2 -","- C36 H50 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0434","0.0401","","","0.1031","0.1063","","","","","","1.037","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553087","9.2454","0.0005","7.0797","0.0004","9.5352","0.0005","90","","100.812","0.002","90","","613.04","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 B N2 -","- C13 H23 B N2 -","- C26 H46 B2 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.044","0.0428","","","0.1202","0.1217","","","","","","1.049","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553088","7.4085","0.0006","9.5348","0.0006","20.4481","0.0016","90","","97.479","0.003","90","","1432.14","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0455","0.0366","","","0.0896","0.0958","","","","","","1.028","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553089","8.8877","0.0003","14.4614","0.0005","10.8854","0.0004","90","","91.815","0.002","90","","1398.38","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B Cl2 N2 -","- C13 H21 B Cl2 N2 -","- C52 H84 B4 Cl8 N8 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0394","0.0341","","","0.0911","0.0947","","","","","","1.062","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553090","10.6012","0.0007","10.7318","0.0007","16.8601","0.0011","90","","105.327","0.002","90","","1849.9","0.2","149","2","149","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37 H20 B2 Cl2 F20 N2 -","- C37 H20 B2 Cl2 F20 N2 -","- C74 H40 B4 Cl4 F40 N4 -","2","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0615","0.0628","","","","","","1.053","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553091","11.0408","0.0011","6.6868","0.0006","16.9825","0.0015","90","","97.038","0.005","90","","1244.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 B P -","- C11 H24 B P -","- C44 H96 B4 P4 -","4","1","","Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.","A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.","Chemical science","2015","6","3","2010","2015","10.1039/c4sc03675a","","","0.71073","MoKα","","0.0515","0.0369","","","0.0781","0.0836","","","","","","1.058","","","","has coordinates","233278","2020-10-21","18:00:00",""
"1553095","9.017","0.0007","12.174","0.0009","12.8341","0.0009","108.889","0.002","99.634","0.002","109.852","0.002","1191.34","0.16","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender; Murhade, Ganesh M.","Lewis acid catalyzed Nazarov type cyclization for the synthesis of a substituted indane framework: total synthesis of (±)-mutisianthol","Organic Chemistry Frontiers","2015","2","6","645","","10.1039/C5QO00005J","","","0.71073","MoKα","","0.1523","0.0964","","","0.2295","0.263","","","","","","1.035","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553096","12.38928","0.00014","20.5595","0.0003","23.639","0.0003","90","","90","","90","","6021.26","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,5,7,9-pentakis(4,4,5,5-tetramethyl-1,2,3-dioxaborolane)corannulene","","- C56 H79 B5 O10 -","- C50 H65 B5 O10 -","- C200 H260 B20 O40 -","4","1","","Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules","Organic Chemistry Frontiers","2015","2","6","626","","10.1039/C5QO00009B","","","1.54184","CuKα","","0.1125","0.1047","","","0.3114","0.322","","","","","","1.371","","","","has coordinates,has disorder","233586","2020-10-21","18:00:00",""
"1553097","20.2644","0.0002","13.18215","0.00013","8.2499","0.00008","90","","90","","90","","2203.78","0.04","160","2","160","2","","","","","","","","5","P m n 21","P 2ac -2","31","","1,3,5,7,9-pentakis(boronic acid)corannulene cis-cyclopentanediol ester","","- C46 H46 B5 Cl3 O10 -","- C46 H46 B5 Cl3 O10 -","- C92 H92 B10 Cl6 O20 -","2","0.5","","Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules","Organic Chemistry Frontiers","2015","2","6","626","","10.1039/C5QO00009B","","","1.5418","CuKα","","0.0536","0.0531","","","0.1436","0.1442","","","","","","1.059","","","","has coordinates,has disorder","233586","2020-10-21","18:00:00",""
"1553098","9.959","0.0011","24.396","0.003","11.0384","0.0012","90","","108.602","0.001","90","","2541.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-bis(4-chlorophenyl)-1,1-diphenyl-1H-benzo[b]silole","","- C32 H22 Cl2 Si -","- C32 H22 Cl2 Si -","- C128 H88 Cl8 Si4 -","4","1","","Xu, Liang; Zhang, Shuai; Li, Pengfei","Synthesis of silafluorenes and silaindenes via silyl radicals from arylhydrosilanes: intramolecular cyclization and intermolecular annulation with alkynes","Organic Chemistry Frontiers","2015","2","5","459","","10.1039/C5QO00012B","","","0.71073","MoKα","","0.0494","0.0374","","","0.0883","0.0941","","","","","","1.037","","","","has coordinates","233589","2020-10-21","18:00:00",""
"1553099","5.572","0.0004","15.48","0.001","25.4858","0.0016","90","","90","","90","","2198.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (1R,2S,3R,6R,7S,9S)-6-phenyl-8-oxa-2- azatetracyclo[7.7.0.02,7.011,16]hexadeca-11(16),12,14- triene-3-carboxylate","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Arena, Giada; Cini, Elena; Petricci, Elena; Randino, Rosario; Taddei, Maurizio","A highly stereo-controlled protocol to prepare pipecolic acids based on Heck and cyclohydrocarbonylation reactions","Organic Chemistry Frontiers","2015","2","5","526","","10.1039/C5QO00025D","","","0.71073","MoKα","","0.1451","0.0382","","","0.0484","0.0582","","","","","","0.69","","","","has coordinates","233591","2020-10-21","18:00:00",""
"1553100","22.264","0.004","10.1945","0.0018","30.92","0.005","90","","91.849","0.003","90","","7014","2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O3.19 -","- C23 H16 O3 -","- C368 H256 O48 -","16","4","","Liu, Tong; Ding, Qiuping; Zong, Qianshou; Qiu, Guanyinsheng","Radical 5-exo cyclization of alkynoates with 2-oxoacetic acids for synthesis of 3-acylcoumarins","Organic Chemistry Frontiers","2015","2","6","670","","10.1039/C5QO00029G","","","0.71073","MoKα","","0.1006","0.0603","","","0.1625","0.1916","","","","","","1.028","","","","has coordinates,has disorder","233594","2020-10-21","18:00:00",""
"1553101","7.159","0.005","9.364","0.005","10.541","0.005","78.846","0.005","82.356","0.005","72.557","0.005","659.3","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C36 H26 N2 O4 -","2","1","","Dethe, Dattatraya H.; Kumar B, Vijay","Concise asymmetric total synthesis of bruceolline J","Organic Chemistry Frontiers","2015","2","5","548","","10.1039/C5QO00030K","","","0.71069","MoKα","","0.0701","0.0535","","","0.1428","0.1585","","","","","","1.054","","","","has coordinates","233596","2020-10-21","18:00:00",""
"1553102","10.786","0.0004","10.786","0.0004","17.286","0.0007","90","","90","","120","","1741.59","0.12","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ru Sb2 -","- C30 H24 F12 N6 Ru Sb2 -","- C60 H48 F24 N12 Ru2 Sb4 -","2","0.166667","","Gomes, Filipe; Narbonne, Vanessa; Blanchard, Florent; Maestri, Giovanni; Malacria, Max","Formal base-free homolytic aromatic substitutions via photoredox catalysis","Organic Chemistry Frontiers","2015","2","5","464","","10.1039/C5QO00031A","","","0.71073","MoKα","","0.0862","0.0515","","","0.1511","0.1877","","","","","","1.218","","","","has coordinates","233598","2020-10-21","18:00:00",""
"1553103","6.2097","0.0013","11.272","0.002","11.547","0.003","104.782","0.004","101.238","0.004","100.235","0.004","744.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N O3 S -","- C16 H17 N O3 S -","- C32 H34 N2 O6 S2 -","2","1","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0709","0.0656","","","0.1786","0.1866","","","","","","1.065","","","","has coordinates","233600","2020-10-21","18:00:00",""
"1553104","8.3878","0.0016","9.8582","0.0018","19.139","0.003","76.354","0.004","84.421","0.004","73.985","0.004","1477.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","2","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0612","0.0513","","","0.1322","0.1397","","","","","","1.059","","","","has coordinates","233600","2020-10-21","18:00:00",""
"1553105","14.5933","0.0018","9.6858","0.0012","11.3977","0.0014","90","","92.745","0.003","90","","1609.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Zhang, Yan-Yan; Hao, Jian; Shi, Min","One pot cascade synthesis of fused heterocycles from furan-tethered terminal alkynes and aldehydes in the presence of amines and CuBr","Organic Chemistry Frontiers","2015","2","4","394","","10.1039/C5QO00033E","","","0.71073","MoKα","","0.0564","0.0432","","","0.1107","0.1206","","","","","","1.027","","","","has coordinates","233600","2020-10-21","18:00:00",""
"1553106","15.713","0.012","28.08","0.02","28.507","0.018","90","","90","","90","","12578","15","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H30 Br N O5 -","- C33 H30 Br N O5 -","- C528 H480 Br16 N16 O80 -","16","2","","Zhang, Jun-Wei; Liu, Xiao-Wei; Gu, Qing; Shi, Xiao-Xin; You, Shu-Li","Enantioselective synthesis of 4,5,6,7-tetrahydroindoles via olefin cross-metathesis/intramolecular Friedel‒Crafts alkylation reaction of pyrroles","Organic Chemistry Frontiers","2015","2","5","476","","10.1039/C5QO00034C","","","0.71073","MoKα","","0.1326","0.0686","","","0.1544","0.1759","","","","","","0.891","","","","has coordinates","233602","2020-10-21","18:00:00",""
"1553107","5.5881","0.0002","18.985","0.0006","10.6706","0.0004","90","","94.113","0.003","90","","1129.13","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diiodide","","- C17 H0 I2 N3 O6 -","- C10 H7 I2 N O -","- C40 H28 I8 N4 O4 -","4","1","","Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho","An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle","Organic Chemistry Frontiers","2015","2","5","578","","10.1039/C5QO00043B","","","1.54184","CuKα","","0.1236","0.1113","","","0.2803","0.2931","","","","","","1.212","","","","has coordinates","233604","2020-10-21","18:00:00",""
"1553108","9.2215","0.0006","10.9612","0.0007","11.6484","0.0007","87.764","0.002","69.092","0.003","73.409","0.003","1051.48","0.12","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","zhangshuotrienes","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhang, Shuo; Chen, Ying; Wang, Jianwu; Pan, Yue; Xu, Zhenghu; Tung, Chen-Ho","An efficient synthesis of gem-diiodoolefins and (E)-iodoalkenes from propargylic amides with a Cu(i)/Cu(iii) cycle","Organic Chemistry Frontiers","2015","2","5","578","","10.1039/C5QO00043B","","","1.54178","CuKα","","0.0557","0.0539","","","0.1496","0.1513","","","","","","1.061","","","","has coordinates","233604","2020-10-21","18:00:00",""
"1553109","26.291","0.014","8.781","0.005","18.363","0.01","90","","111.863","0.004","90","","3934","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 I O3 -","- C23 H17 I O3 -","- C184 H136 I8 O24 -","8","1","","Zhu, Hai-Tao; Fan, Ming-Jin; Yang, De-Suo; Wang, Xiao-Ling; Ke, Sen; Zhang, Chao-Yang; Guan, Zheng-Hui","An iodine-promoted Meyer‒Schuster rearrangement for the synthesis of α-iodo unsaturated ketones","Organic Chemistry Frontiers","2015","2","5","506","","10.1039/C5QO00048C","","","0.71073","MoKα","","0.0365","0.0247","","","0.0479","0.0529","","","","","","1.055","","","","has coordinates","233606","2020-10-21","18:00:00",""
"1553110","12.3535","0.0005","28.8354","0.0012","15.2713","0.0006","90","","99.472","0.002","90","","5365.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Cl4 F6 N P3 Rh -","- C59 H49 Cl4 F6 N P3 Rh -","- C236 H196 Cl16 F24 N4 P12 Rh4 -","4","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.083","0.0648","","","0.1762","0.2067","","","","","","1.063","","","","has coordinates","233607","2020-10-21","18:00:00",""
"1553111","10.8319","0.0004","13.2288","0.0004","22.0889","0.0008","75.156","0.002","79.856","0.002","69.201","0.002","2847.44","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H61 F6 N O2 P3 Rh -","- C65 H61 F6 N O2 P3 Rh -","- C130 H122 F12 N2 O4 P6 Rh2 -","2","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.0711","0.0586","","","0.1606","0.181","","","","","","1.13","","","","has coordinates,has disorder","233607","2020-10-21","18:00:00",""
"1553112","13.6534","0.0003","25.7008","0.0005","15.5862","0.0003","90","","93.092","0.001","90","","5461.29","0.19","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H46 Cl2 F9 N P3 Rh -","- C59 H46 Cl2 F9 N P3 Rh -","- C236 H184 Cl8 F36 N4 P12 Rh4 -","4","1","","Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei","Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes","Organic Chemistry Frontiers","2015","2","7","783","","10.1039/C5QO00049A","","","0.71073","MoKα","","0.0764","0.0533","","","0.1514","0.1829","","","","","","1.017","","","","has coordinates,has disorder","233607","2020-10-21","18:00:00",""
"1553113","16.5731","0.0008","19.6848","0.0007","18.1839","0.0009","90","","112.182","0.002","90","","5493.2","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 B Cl6 F4 N O Os P2 -","- C58 H52 B Cl6 F4 N O Os P2 -","- C232 H208 B4 Cl24 F16 N4 O4 Os4 P8 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0779","0.0643","","","0.171","0.1873","","","","","","1.084","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553114","11.9299","0.0003","14.1946","0.0003","33.0235","0.0007","90","","98.576","0.001","90","","5529.7","0.2","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 -","- C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 -","- C225 H209 B4 Cl11 F16 N4 O12 Os4 P8 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0694","0.0566","","","0.1635","0.172","","","","","","1.044","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553115","12.0746","0.0003","18.8448","0.0003","20.9677","0.0004","90","","90.023","0.001","90","","4771.06","0.17","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C50 H43 B Cl5 F4 N3 O Os P -","- C50 H44 B Cl5 F4 N3 O Os P -","- C200 H176 B4 Cl20 F16 N12 O4 Os4 P4 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0723","0.0526","","","0.1396","0.1954","","","","","","1.17","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553116","19.3445","0.0009","16.8974","0.0006","16.1902","0.0007","90","","111.004","0.001","90","","4940.5","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H55 B Cl4 F4 N3 Os P -","- C52 H55 B Cl4 F4 N3 Os P -","- C208 H220 B4 Cl16 F16 N12 Os4 P4 -","4","1","","Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping","Reactions of osmapyridinium with terminal alkynes","Organic Chemistry Frontiers","2015","2","5","560","","10.1039/C5QO00052A","","","0.71073","MoKα","","0.0439","0.0344","","","0.0737","0.0858","","","","","","1.091","","","","has coordinates","233608","2020-10-21","18:00:00",""
"1553117","7.2941","0.0002","13.2249","0.0003","17.2264","0.0004","90","","96.919","0.002","90","","1649.62","0.07","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Santos, Hugo; Distiller, Amy; D'Souza, Asha M.; Arnoux, Quentin; White, Jonathan M.; Meyer, Adam G.; Ryan, John H.","1,3-Dipolar cycloaddition reactions of phthalic anhydrides with an azomethine ylide","Organic Chemistry Frontiers","2015","2","6","705","","10.1039/C5QO00062A","","x-ray","0.71073","MoKα","","0.0645","0.0461","","","0.1227","0.1369","","","","","","1.05","","","","has coordinates","233610","2020-10-21","18:00:00",""
"1553118","8.592","0.007","10.956","0.009","16.545","0.014","90","","92.673","0.011","90","","1556","2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 N O4 S Sn -","- C32 H37 N O4 S Sn -","- C64 H74 N2 O8 S2 Sn2 -","2","1","","Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu","A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction","Organic Chemistry Frontiers","2015","2","6","713","","10.1039/C5QO00063G","","","0.71075","MoKα","","0.1065","0.0869","","","0.196","0.2108","","","","","","1.096","","","","has coordinates","233611","2020-10-21","18:00:00",""
"1553119","7.6495","0.0006","12.803","0.0013","16.9343","0.0013","90","","90","","90","","1658.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0358","0.0271","","","0.0496","0.0525","","","","","","1.083","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553120","9.4309","0.0003","13.5255","0.0004","19.3191","0.0006","90","","90","","90","","2464.3","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl P S -","- C28 H26 Cl P S -","- C112 H104 Cl4 P4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","1.54178","CuKα","","0.0529","0.0526","","","0.1372","0.1373","","","","","","1.147","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553121","11.8312","0.0003","15.3726","0.0006","17.795","0.0006","90","","90","","90","","3236.49","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Cl3 P Pd S -","- C35 H34 Cl3 P Pd S -","- C140 H136 Cl12 P4 Pd4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0801","0.043","","","0.0854","0.1102","","","","","","1.061","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553122","10.4422","0.0003","33.2582","0.001","10.4466","0.0003","90","","114.77","0.002","90","","3294.2","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 F3 N -","- C19 H20 F3 N -","- C152 H160 F24 N8 -","8","4","","Chen, Mu-Wang; Ye, Zhi-Shi; Chen, Zhang-Pei; Wu, Bo; Zhou, Yong-Gui","Enantioselective synthesis of trifluoromethyl substituted piperidines with multiple stereogenic centers via hydrogenation of pyridinium hydrochlorides","Organic Chemistry Frontiers","2015","2","5","586","","10.1039/C5QO00069F","","","1.54178","CuKα","","0.1075","0.0715","","","0.2153","0.2857","","","","","","1.028","","","","has coordinates","233615","2020-10-21","18:00:00",""
"1553123","18.029","0.008","9.695","0.004","14.246","0.007","90","","110.517","0.008","90","","2332.1","1.8","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(eta-5-cyclopentadienyl)-3-trimethylsilyl-5-dimethylamino-1-thia-2-zirconacyclopenta-3,4-diene","","- C23 H35 N S Si Ti -","- C23 H35 N S Si Ti -","- C92 H140 N4 S4 Si4 Ti4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71075","MoKα","","0.0952","0.0619","","","0.1228","0.142","","","","","","1.067","","","","has coordinates","233616","2020-10-21","18:00:00",""
"1553124","18.125","0.005","9.87","0.002","14.346","0.004","90","","110.563","0.004","90","","2402.9","1.1","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(η5-cyclopentadienyl)-3-tert-butyldimethylsilyl- 5-diethylamino-1-thia-2-zirconacyclopenta-3,4-diene","","- C23 H35 N S Si Zr -","- C23 H35 N S Si Zr -","- C92 H140 N4 S4 Si4 Zr4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71073","MoKα","","0.0367","0.0321","","","0.0716","0.075","","","","","","1.124","","","","has coordinates,has disorder","233616","2020-10-21","18:00:00",""
"1553125","15.471","0.008","9.164","0.004","14.06","0.007","90","","108.282","0.006","90","","1892.8","1.6","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-bis(η5-cyclopentadienyl)-3-trimethylsilyl-5-dimethylamino- 1-thia-2-zirconacyclopenta-3,4-diene","","- C18 H25 N S Si Zr -","- C18 H25 N S Si Zr -","- C72 H100 N4 S4 Si4 Zr4 -","4","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71073","MoKα","","0.0606","0.0448","","","0.0838","0.0939","","","","","","1.098","","","","has coordinates,has disorder","233616","2020-10-21","18:00:00",""
"1553126","6.2605","","6.9304","","14.4299","","92.0278","","99.0665","","112.207","","569.305","","93","","93","","","","","","","","","5","P -1","-P 1","2","","(Z)-N,N-diethyl-3-(tert-butylditrimethylsilyl)prop-2-enethioamide","","- C8 H17 N S Si -","- C8 H17 N S Si -","- C16 H34 N2 S2 Si2 -","2","1","","Suzuki, Noriyuki; Asada, Takumi; Kawamura, Akiko; Masuyama, Yoshiro","Sulfur-containing stable five-membered “cycloallene” complexes: 1-thia-2-zircona- and 1-thia-2-titanacyclopenta-3,4-dienes","Organic Chemistry Frontiers","2015","2","6","681","","10.1039/C5QO00072F","","","0.71075","MoKα","","0.0906","0.0737","","","0.2217","0.2447","","","","","","1.096","","","","has coordinates","233616","2020-10-21","18:00:00",""
"1553127","8.3022","0.0003","11.1608","0.0004","16.3992","0.0006","90","","94.272","0.001","90","","1515.31","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Chen, Dianpeng; Xing, Gangdong; Zhou, Hongwei","Sulfone promoted Rh(iii)-catalyzed C‒H activation and base assisted 1,5-H shift strategy for the construction of seven-membered rings","Organic Chemistry Frontiers","2015","2","8","947","","10.1039/C5QO00089K","","","0.71073","MoKα","","0.052","0.0449","","","0.1103","0.1159","","","","","","1.003","","","","has coordinates","233618","2020-10-21","18:00:00",""
"1553128","8.6808","0.0008","8.9707","0.0006","11.2873","0.001","104.818","0.006","112.003","0.008","92.742","0.006","777.67","0.13","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C34 H42 N2 O6 -","2","1","","Liu, Xianglei; Gu, Zhenhua","Pd-catalyzed Heck cyclization and in situ hydrocarboxylation or hydromethenylation via a hydrogen borrowing strategy","Organic Chemistry Frontiers","2015","2","7","778","","10.1039/C5QO00091B","","","1.54184","CuKα","","0.0609","0.0568","","","0.1606","0.1664","","","","","","1.072","","","","has coordinates,has disorder","233619","2020-10-21","18:00:00",""
"1553129","5.9958","0.0012","13.644","0.003","17.789","0.004","90","","90","","90","","1455.3","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 F O2 -","- C16 H25 F O2 -","- C64 H100 F4 O8 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C‒H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0574","0.0549","","","0.1577","0.16","","","","","","1.052","","","","has coordinates","233621","2020-10-21","18:00:00",""
"1553130","8.7359","0.0017","12.804","0.003","20.625","0.004","90","","90","","90","","2307","0.8","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 F O8 -","- C24 H31 F O8 -","- C96 H124 F4 O32 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C‒H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0843","0.0615","","","0.1225","0.1344","","","","","","1.003","","","","has coordinates","233621","2020-10-21","18:00:00",""
"1553131","12.1876","0.0018","9.8204","0.0014","15.854","0.002","90","","96.796","0.003","90","","1884.2","0.5","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","(POX)PdCl2","","- C16 H24 Cl2 N2 O Pd -","- C16 H24 Cl2 N2 O Pd -","- C64 H96 Cl8 N8 O4 Pd4 -","4","2","","Yu, Feng; Chen, Pinhong; Liu, Guosheng","Pd(ii)-catalyzed intermolecular enantioselective hydroamination of styrenes","Organic Chemistry Frontiers","2015","2","7","819","","10.1039/C5QO00096C","","","0.71073","MoKα","","0.0974","0.0638","","","0.118","0.1327","","","","","","1.023","","","","has coordinates","233622","2020-10-21","18:00:00",""
"1553132","10.291","0.002","5.9808","0.0012","12.068","0.002","90","","103.531","0.003","90","","722.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2.889 H5.111 N0.222 O0.667 S0.222 -","- C2.88889 H5.11111 N0.222222 O0.666667 S0.222222 -","- C26 H46 N2 O6 S2 -","9","4.5","","Ye, Jian-Liang; Zhang, Yu-Feng; Liu, Yang; Zhang, Jin-Yuan; Ruan, Yuan-Ping; Huang, Pei-Qiang","Studies on the asymmetric synthesis of pandamarilactonines: an unexpected syn-selective vinylogous Mannich reaction of N-tert-butanesulfinimines","Organic Chemistry Frontiers","2015","2","6","697","","10.1039/C5QO00098J","","","0.71073","MoKα","","0.0315","0.0314","","","0.088","0.088","","","","","","1.066","","","","has coordinates","233624","2020-10-21","18:00:00",""
"1553133","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed α-oxygenation of carbonyl compounds utilizing the [1,2]-phospha-Brook rearrangement","Organic Chemistry Frontiers","2015","2","7","801","","10.1039/C5QO00108K","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","233625","2020-10-21","18:00:00",""
"1553134","7.82043","0.00019","10.2265","0.0003","17.491","0.0004","90","","90","","90","","1398.85","0.06","299","0.4","299","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O7 S2 -","- C11 H13 N O7 S2 -","- C44 H52 N4 O28 S8 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54184","CuKα","","0.0375","0.0355","","","0.1101","0.1128","","","","","","0.945","","","","has coordinates","233627","2020-10-21","18:00:00",""
"1553135","15.41418","0.00014","15.41418","0.00014","5.95145","0.0001","90","","90","","90","","1414.05","0.03","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H12 N2 O7 S -","- C11 H12 N2 O7 S -","- C44 H48 N8 O28 S4 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54178","CuKα","","0.0387","0.0348","","","0.0932","0.095","","","","","","1.052","","","","has coordinates","233627","2020-10-21","18:00:00",""
"1553136","12.8276","0.0003","8.4882","0.0002","24.8068","0.0007","90","","91.044","0.002","90","","2700.6","0.12","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","1.54184","CuKα","","0.0653","0.0478","","","0.1264","0.1417","","","","","","1.026","","","","has coordinates","233629","2020-10-21","18:00:00",""
"1553137","14.4863","0.0004","17.2032","0.0005","11.5651","0.0005","90","","105.969","0.004","90","","2770.93","0.17","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F3 N4 O6 Pd2 -","- C28 H21 F3 N4 O6 Pd2 -","- C112 H84 F12 N16 O24 Pd8 -","4","1","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","0.71073","MoKα","","0.0723","0.0518","","","0.1342","0.1466","","","","","","1.05","","","","has coordinates","233629","2020-10-21","18:00:00",""
"1553138","6.8879","0.0009","8.282","0.0009","14.4023","0.001","104.655","0.008","94.121","0.009","91.668","0.01","791.85","0.15","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Zhang, Duo; Cui, Xiuling; Yang, Fangfang; Zhang, Qianqian; Zhu, Yu; Wu, Yangjie","Palladium-catalyzed direct ortho C‒O bond construction of azoxybenzenes with carboxylic acids and alcohols","Organic Chemistry Frontiers","2015","2","8","951","","10.1039/C5QO00120J","","","0.71073","MoKα","","0.0839","0.0508","","","0.1181","0.1377","","","","","","1.026","","","","has coordinates","233629","2020-10-21","18:00:00",""
"1553139","8.6248","0.0011","9.8158","0.0012","11.6537","0.0014","99.05","0.002","101.411","0.002","96.596","0.002","944.1","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N O2 S -","- C20 H26 N O2 S -","- C40 H52 N2 O4 S2 -","2","1","","Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min","Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C‒C bond activation","Organic Chemistry Frontiers","2015","2","7","792","","10.1039/C5QO00127G","","","0.71073","MoKα","","0.0541","0.0433","","","0.1264","0.1398","","","","","","1.053","","","","has coordinates","233631","2020-10-21","18:00:00",""
"1553140","8.5768","0.0009","10.2978","0.0011","28.986","0.003","90","","90.183","0.002","90","","2560.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O2 S -","- C30 H31 N O2 S -","- C120 H124 N4 O8 S4 -","4","1","","Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min","Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C‒C bond activation","Organic Chemistry Frontiers","2015","2","7","792","","10.1039/C5QO00127G","","","0.71073","MoKα","","0.0627","0.049","","","0.1211","0.1312","","","","","","1.021","","","","has coordinates","233631","2020-10-21","18:00:00",""
"1553141","9.8915","0.0004","9.4814","0.0004","11.942","0.0005","90","","102.048","0.004","90","","1095.31","0.08","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,8R)-3j'","","- C21 H22 Br N3 O5 -","- C21 H22 Br N3 O5 -","- C42 H44 Br2 N6 O10 -","2","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0403","0.0376","","","0.103","0.1077","","","","","","1","","","","has coordinates","233633","2020-10-21","18:00:00",""
"1553142","7.1573","0.0004","21.4898","0.0009","9.4975","0.0004","90","","90","","90","","1460.8","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-1j","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C56 H60 Br4 N8 O12 -","4","1","","Hu, Ying; Zhou, Zijun; Gong, Lei; Meggers, Eric","Asymmetric aza-Henry reaction to provide oxindoles with quaternary carbon stereocenter catalyzed by a metal-templated chiral Brønsted base","Organic Chemistry Frontiers","2015","2","8","968","","10.1039/C5QO00132C","","","0.71073","MoKα","","0.0376","0.0344","","","0.0787","0.0811","","","","","","0.999","","","","has coordinates","233633","2020-10-21","18:00:00",""
"1553143","13.25","0.0002","16.9695","0.0003","23.3436","0.0004","90","","103.948","0.0018","90","","5093.95","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Cl34 N8 P2 Ru2 -","- C70 H66 Cl34 N8 P2 Ru2 -","- C140 H132 Cl68 N16 P4 Ru4 -","2","0.5","","Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo","Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties","Organic Chemistry Frontiers","2015","2","8","936","","10.1039/C5QO00137D","","x-ray","1.54184","CuKα","","0.0901","0.0721","","","0.1832","0.2154","","","","","","1.127","","","","has coordinates,has disorder","233636","2020-10-21","18:00:00",""
"1553144","18.2792","0.0003","11.74106","0.00011","17.1049","0.0002","90","","117.389","0.0018","90","","3259.49","0.09","199.95","0.1","199.95","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 N4 O5 P Ru -","- C32 H35 Cl2 N4 O5 P Ru -","- C128 H140 Cl8 N16 O20 P4 Ru4 -","4","1","","Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo","Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties","Organic Chemistry Frontiers","2015","2","8","936","","10.1039/C5QO00137D","","","1.54184","CuKα","","0.0407","0.0355","","","0.0931","0.0963","","","","","","1.107","","","","has coordinates","233636","2020-10-21","18:00:00",""
"1553145","8.4926","0.0017","12.013","0.002","19.248","0.004","90","","90","","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Xu, Guangqing; Li, Minghong; Wang, Shouliang; Tang, Wenjun","Efficient synthesis of P-chiral biaryl phosphonates by stereoselective intramolecular cyclization","Organic Chemistry Frontiers","2015","2","10","1342","","10.1039/C5QO00142K","","","1.54178","CuKα","","0.0398","0.0394","","","0.1233","0.1239","","","","","","1.098","","","","has coordinates","233638","2020-10-21","18:00:00",""
"1553146","32.577","0.006","10.964","0.002","15.077","0.003","90","","101.267","0.006","90","","5281.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Au I N3 O -","- C25 H22 Au I N3 O -","- C200 H176 Au8 I8 N24 O8 -","8","1","","Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min","Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes","Organic Chemistry Frontiers","2015","2","11","1475","","10.1039/C5QO00155B","","","0.71073","MoKα","","0.0668","0.043","","","0.1081","0.1187","","","","","","0.965","","","","has coordinates,has disorder","233640","2020-10-21","18:00:00",""
"1553147","10.3025","0.0005","16.0231","0.0008","26.3966","0.0014","90","","90","","90","","4357.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Au I N3 O -","- C23 H19 Au I N3 O -","- C184 H152 Au8 I8 N24 O8 -","8","2","","Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min","Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes","Organic Chemistry Frontiers","2015","2","11","1475","","10.1039/C5QO00155B","","","0.71073","MoKα","","0.0467","0.0368","","","0.0704","0.0742","","","","","","0.924","","","","has coordinates","233640","2020-10-21","18:00:00",""
"1553148","5.8507","0.001","14.177","0.002","30.834","0.004","90","","90","","90","","2557.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O10 -","- C24 H34 O10 -","- C96 H136 O40 -","4","1","","Huang, Xin; Xue, Can; Fu, Chunling; Ma, Shengming","A concise construction of carbohydrate-tethered axially chiral allenes via copper catalysis","Organic Chemistry Frontiers","2015","2","9","1040","","10.1039/C5QO00164A","","","0.71073","MoKα","","0.102","0.08","","","0.2036","0.2267","","","","","","1.094","","","","has coordinates","233641","2020-10-21","18:00:00",""
"1553149","10.8569","0.0001","14.913","0.0002","23.1808","0.0016","90","","90","","90","","3753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C168 H152 N8 O48 -","8","2","","Duan, Jindian; Cheng, Jing; Li, Pengfei","Enantioselective construction of spiro-1,3-indandiones with three stereocenters via organocatalytic Michael-aldol reaction of 2-arylideneindane-1,3-diones and nitro aldehydes","Organic Chemistry Frontiers","2015","2","9","1048","","10.1039/C5QO00166H","","","1.54187","CuKα","","0.1036","0.0978","","","0.2475","0.2574","","","","","","1.097","","","","has coordinates","233643","2020-10-21","18:00:00",""
"1553150","13.093","0.003","25.621","0.005","27.14","0.005","90","","90","","90","","9104","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H74 I2 N36 O16 -","- C72 H74 I2 N36 O16 -","- C288 H296 I8 N144 O64 -","4","1","","Zhou, Tian-You; Qi, Qiao-Yan; Zhang, Ying; Xu, Xiao-Na; Zhao, Xin","A thermally stable pH-responsive “supramolecular buckle” based on the encapsulation of 4-(4-aminophenyl)-N-methylpyridinium by cucurbit[8]uril","Organic Chemistry Frontiers","2015","2","9","1030","","10.1039/C5QO00168D","","","1.54178","CuKα","","0.0868","0.079","","","0.2324","0.2433","","","","","","1.062","","","","has coordinates","233644","2020-10-21","18:00:00",""
"1553151","20.293","0.0002","6.84225","0.00008","22.5979","0.0002","90","","90.8593","0.0009","90","","3137.36","0.06","99.94","0.17","99.94","0.17","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.1356","0.1396","","","","","","1.301","","","","has coordinates,has disorder","233646","2020-10-21","18:00:00",""
"1553152","7.63367","0.00018","29.2305","0.0005","6.84862","0.00015","90","","102.295","0.002","90","","1493.12","0.06","99.94","0.19","99.94","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0414","0.0367","","","0.0895","0.0934","","","","","","1.046","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553153","12.4972","0.0002","14.1613","0.0002","17.5538","0.0003","90","","90","","90","","3106.61","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0422","0.0379","","","0.0934","0.0966","","","","","","1.05","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553154","6.86998","0.00008","15.21957","0.0002","27.0563","0.0004","90","","90","","90","","2828.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0307","0.0289","","","0.069","0.0703","","","","","","1.057","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553155","6.98428","0.00014","15.3845","0.0004","16.6168","0.0004","110.497","0.002","97.0023","0.0018","102.274","0.0019","1596.16","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0571","0.042","","","0.1573","0.1611","","","","","","1.271","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553156","6.8071","0.0003","15.0202","0.0007","15.8559","0.0008","90.798","0.004","101.156","0.004","100.035","0.004","1564.3","0.13","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0526","0.0391","","","0.0972","0.1067","","","","","","1.013","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553157","7.5414","0.0003","11.8446","0.0005","12.2635","0.0005","80.154","0.004","88.093","0.004","88.519","0.003","1078.48","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0469","0.0399","","","0.0984","0.1031","","","","","","1.028","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553158","12.55604","0.00014","15.09459","0.00013","18.9643","0.00017","90","","105.866","0.001","90","","3457.35","0.06","99.9","0.2","99.9","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N2 O -","- C46 H42 N2 O -","- C184 H168 N8 O4 -","4","0.5","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0391","0.0364","","","0.0892","0.0919","","","","","","1.038","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553159","10.1705","0.0003","10.2903","0.0003","19.4528","0.0005","99.778","0.002","99.679","0.002","106.888","0.002","1868.04","0.1","99.99","0.11","99.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C48 H46 N2 O3 -","- C48 H46 N2 O3 -","- C96 H92 N4 O6 -","2","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0942","0.0863","","","0.2303","0.2339","","","","","","1.157","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553160","11.9986","0.0002","10.6018","0.00016","20.9045","0.0004","90","","104.851","0.0019","90","","2570.36","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O -","- C34 H34 N2 O -","- C136 H136 N8 O4 -","4","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0485","0.0404","","","0.1016","0.11","","","","","","1.03","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553161","18.06936","0.00019","17.802","0.0002","18.2203","0.0002","90","","90.5295","0.001","90","","5860.69","0.11","173","0.14","173","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","4","","Huang, Pei-Qiang; Ou, Wei; Ye, Jian-Liang","Aza-Knoevenagel-type condensation of secondary amides: direct access to N-monosubstituted β,β-difunctionalized enamines","Organic Chemistry Frontiers","2015","2","9","1094","","10.1039/C5QO00191A","","","1.54184","CuKα","","0.0559","0.0498","","","0.1319","0.1382","","","","","","1.0616","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553162","9.4647","0.0007","5.7312","0.0005","22.1678","0.0018","90","","100.283","0.001","90","","1183.16","0.17","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F3 O2 S2 -","- C10 H9 F3 O2 S2 -","- C40 H36 F12 O8 S8 -","4","1","","Yang, Hai-Bin; Fan, Xing; Wei, Yin; Shi, Min","Solvent-controlled nucleophilic trifluoromethylthiolation of Morita‒Baylis‒Hillman carbonates: dual roles of DABCO in activating the Zard's trifluoromethylthiolation reagent and the MBH carbonates","Organic Chemistry Frontiers","2015","2","9","1088","","10.1039/C5QO00198F","","","0.71073","MoKα","","0.0717","0.0645","","","0.1972","0.2047","","","","","","1.053","","","","has coordinates","233650","2020-10-21","18:00:00",""
"1553163","10.695","0.002","21.389","0.004","9.1312","0.0018","90","","99.66","0.03","90","","2059.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.1696","0.1321","","","0.2121","0.2283","","","","","","1.243","","","","has coordinates","233651","2020-10-21","18:00:00",""
"1553164","12.5003","0.0011","9.5999","0.0008","34.846","0.003","90","","90","","90","","4181.6","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C176 H192 Cl8 N8 O32 -","8","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.0973","0.0465","","","0.094","0.1073","","","","","","1.015","","","","has coordinates","233651","2020-10-21","18:00:00",""
"1553165","8.8044","0.0012","9.6097","0.0013","13.3333","0.0018","93.346","0.003","95.699","0.003","90.433","0.003","1120.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","","Guo, Tenglong; Jiang, Quanbin; Yu, Zhengkun","Palladium-catalyzed oxidative annulation of in situ generated enones to pyrroles: a concise route to functionalized indoles","Organic Chemistry Frontiers","2015","2","10","1361","","10.1039/C5QO00203F","","","0.71073","MoKα","","0.0715","0.0548","","","0.1535","0.1704","","","","","","1.024","","","","has coordinates","233653","2020-10-21","18:00:00",""
"1553166","7.008","0.002","13.515","0.004","19.467","0.006","90","","90","","90","","1843.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C80 H64 N32 O8 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","The development of carbene-stabilized N‒O radical coupling strategy in metal-free regioselective C‒H azidation of quinoline N-oxides","Organic Chemistry Frontiers","2015","2","10","1313","","10.1039/C5QO00204D","","","0.71073","MoKα","","0.0925","0.0571","","","0.1495","0.1799","","","","","","1.025","","","","has coordinates","233655","2020-10-21","18:00:00",""
"1553167","10.974","0.009","13.036","0.01","14.337","0.011","68.085","0.014","67.898","0.013","73.316","0.014","1737","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alkyne-phenyl","","- C25 H0 N24 O0.5 -","- C40 H32 O11 -","- C80 H64 O22 -","2","1","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","0.71073","MoKα","","0.1091","0.0716","","","0.2036","0.2373","","","","","","1.028","","","","has coordinates","233657","2020-10-21","18:00:00",""
"1553168","8.621","0.0011","21.744","0.003","18.379","0.002","90","","100.954","0.003","90","","3382.5","0.7","298","2","298.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","alkyne-butyle","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","0.5","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","0.71073","MoKα","","0.1231","0.052","","","0.1163","0.1443","","","","","","1","","","","has coordinates","233657","2020-10-21","18:00:00",""
"1553169","9.7518","0.0003","17.4971","0.0005","20.0458","0.0007","90","","101.206","0.003","90","","3355.17","0.19","298.5","0.2","298.5","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alkyne amide","","- C33 H41 N O9 -","- C33 H41 N O9 -","- C132 H164 N4 O36 -","4","1","","Song, Chuanling; Sun, Yihua; Wang, Jianwu; Chen, Hui; Yao, Jiannian; Tung, Chen-Ho; Xu, Zhenghu","Successive Cu/Pd transmetalation relay catalysis in stereoselective synthesis of tetraarylethenes","Organic Chemistry Frontiers","2015","2","10","1366","","10.1039/C5QO00205B","","","1.54184","CuKα","","0.1056","0.0624","","","0.1931","0.206","","","","","","1.226","","","","has coordinates","233657","2020-10-21","18:00:00",""
"1553170","8.503","0.0006","10.6762","0.0005","15.8607","0.001","76.75","0.005","81.107","0.005","88.437","0.005","1384.6","0.15","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","2","","Li, Siyu; Li, Xiang; Yang, Fan; Wu, Yangjie","Copper-catalyzed direct decarboxylative hydrosulfonylation of aryl propiolic acids with sulfonylhydrazides leading to vinylsulfones","Organic Chemistry Frontiers","2015","2","9","1076","","10.1039/C5QO00212E","","","1.54184","CuKα","","0.0743","0.063","","","0.1737","0.1857","","","","","","1.084","","","","has coordinates","233659","2020-10-21","18:00:00",""
"1553171","10.2945","0.0008","18.1137","0.0016","14.6463","0.0012","90","","105.831","0.002","90","","2627.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N3 O4 S2 -","- C28 H29 N3 O4 S2 -","- C112 H116 N12 O16 S8 -","4","1","","Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min","Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C‒H functionalization of indolyltriazoles","Organic Chemistry Frontiers","2015","2","11","1516","","10.1039/C5QO00216H","","","0.71073","MoKα","","0.0787","0.0519","","","0.1435","0.1647","","","","","","1.034","","","","has coordinates","233661","2020-10-21","18:00:00",""
"1553172","11.3585","0.001","11.981","0.001","13.438","0.0012","106.42","0.002","108.985","0.002","104.217","0.002","1539.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl3 N3 O4 S2 -","- C27 H24 Cl3 N3 O4 S2 -","- C54 H48 Cl6 N6 O8 S4 -","2","1","","Zhang, Yong-Sheng; Tang, Xiang-Ying; Shi, Min","Divergent synthesis of indole-fused polycycles via Rh(ii)-catalyzed intramolecular [3 + 2] cycloaddition and C‒H functionalization of indolyltriazoles","Organic Chemistry Frontiers","2015","2","11","1516","","10.1039/C5QO00216H","","","0.71073","MoKα","","0.0669","0.0531","","","0.1487","0.158","","","","","","1.085","","","","has coordinates","233661","2020-10-21","18:00:00",""
"1553173","12.89225","0.00014","15.11065","0.00014","24.8076","0.0003","90","","101.997","0.001","90","","4727.22","0.09","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H23 Cl F7 N O -","- C26 H23 Cl F7 N O -","- C208 H184 Cl8 F56 N8 O8 -","8","2","","Lao, Ye-Xing; Wu, Jia-Qiang; Chen, Yunyun; Zhang, Shang-Shi; Li, Qingjiang; Wang, Honggen","Palladium-catalyzed methylene C(sp3)‒H arylation of the adamantyl scaffold","Organic Chemistry Frontiers","2015","2","10","1374","","10.1039/C5QO00218D","","x-ray","1.54184","CuKα","","0.0304","0.0289","","","0.0725","0.0738","","","","","","1.041","","","","has coordinates","233662","2020-10-21","18:00:00",""
"1553174","11.6048","0.0014","11.0429","0.0014","22.106","0.003","90","","94.237","0.002","90","","2825.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N3 -","- C9 H6 F3 N3 -","- C108 H72 F36 N36 -","12","3","","Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An","Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles","Organic Chemistry Frontiers","2015","2","11","1468","","10.1039/C5QO00219B","","","0.71073","MoKα","","0.1446","0.0711","","","0.1935","0.2481","","","","","","1.019","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553175","10.63","0.007","8.222","0.005","13.645","0.008","90","","100.814","0.005","90","","1171.4","1.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F6 N3 -","- C11 H7 F6 N3 -","- C44 H28 F24 N12 -","4","1","","Wang, Shuai; Yang, Li-Jun; Zeng, Jun-Liang; Zheng, Yan; Ma, Jun-An","Silver-catalyzed [3 + 2] cycloaddition of isocyanides with diazo compounds: new regioselective access to 1,4-disubstituted-1,2,3-triazoles","Organic Chemistry Frontiers","2015","2","11","1468","","10.1039/C5QO00219B","","","0.71073","MoKα","","0.0627","0.0517","","","0.1428","0.1525","","","","","","1.065","","","","has coordinates","233664","2020-10-21","18:00:00",""
"1553176","28.386","0.007","9.195","0.002","17.591","0.005","90","","125.324","0.008","90","","3746.1","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-chlorophenyl)-2,5-diphenylpentane-1,5-dione","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C184 H152 Cl8 O16 -","8","1","","Li, Yang; Liu, Bang; Ouyang, Xuan-Hui; Song, Ren-Jie; Li, Jin-Heng","Alkylation/1,2-aryl migration of α-aryl allylic alcohols with α-carbonyl alkyl bromides using visible-light photoredox catalysis","Organic Chemistry Frontiers","2015","2","11","1457","","10.1039/C5QO00220F","","","0.71073","MoKα","","0.0845","0.0545","","","0.1378","0.1529","","","","","","1.057","","","","has coordinates","233666","2020-10-21","18:00:00",""
"1553177","8.8674","0.0018","9.3784","0.0019","16.618","0.003","82.99","0.03","87.24","0.03","62.65","0.03","1218.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Br2 N5 O2 -","- C25 H27 Br2 N5 O2 -","- C50 H54 Br4 N10 O4 -","2","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0702","0.0541","","","0.1482","0.1615","","","","","","1.019","","","","has coordinates","233668","2020-10-21","18:00:00",""
"1553178","23.657","0.005","7.2556","0.0015","18.859","0.004","90","","111.31","0.03","90","","3015.7","1.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0854","0.0448","","","0.1102","0.1314","","","","","","0.929","","","","has coordinates","233668","2020-10-21","18:00:00",""
"1553179","10.441","0.002","7.4965","0.0015","22.577","0.005","90","","94.06","0.03","90","","1762.7","0.6","170","2","170","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0821","0.0478","","","0.12","0.1375","","","","","","1.014","","","","has coordinates","233668","2020-10-21","18:00:00",""
"1553180","10.596","0.002","13.501","0.003","12.12","0.002","90","","90.38","0.03","90","","1733.8","0.6","170","2","170","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Zende, V. M.; Schulzke, C.; Kapdi, A. R.","Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates","Organic Chemistry Frontiers","2015","2","10","1397","","10.1039/C5QO00236B","","","0.71073","MoKα","","0.0521","0.0447","","","0.1214","0.127","","","","","","1.053","","","","has coordinates","233668","2020-10-21","18:00:00",""
"1553181","10.767","0.0009","11.483","0.0009","19.2866","0.0015","88.719","0.003","87.476","0.003","80.292","0.003","2347.8","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","2","","Patra, Atanu; Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes","Organic Chemistry Frontiers","2015","2","12","1584","","10.1039/C5QO00242G","","","0.71073","MoKα","","0.0393","0.0357","","","0.0876","0.0906","","","","","","1.031","","","","has coordinates","233670","2020-10-21","18:00:00",""
"1553183","6.3258","0.0002","17.6205","0.0006","20.9213","0.0007","90","","90","","90","","2331.97","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","scm5-1986","","- C21 H33 N O4 Si -","- C21 H33 N O4 Si -","- C84 H132 N4 O16 Si4 -","4","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Liu, Yi-Wen; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective formation of chiral trans-4-hydroxy-5-substituted 2-pyrrolidinones: syntheses of streptopyrrolidine and 3-epi-epohelmin A","Organic Chemistry Frontiers","2015","2","11","1485","","10.1039/C5QO00250H","","","0.71073","MoKα","","0.1041","0.0518","","","0.1285","0.1503","","","","","","0.933","","","","has coordinates","233674","2020-10-21","18:00:00",""
"1553184","13.06","0.0008","13.2703","0.0007","29.7423","0.0018","90","","95.06","0.006","90","","5134.6","0.5","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H19 N3 O5 -","- C76 H19 N3 O5 -","- C304 H76 N12 O20 -","4","1","","Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing","Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule","Organic Chemistry Frontiers","2015","2","11","1500","","10.1039/C5QO00265F","","","0.71073","MoKα","","0.1583","0.0965","","","0.198","0.2328","","","","","","0.944","","","","has coordinates","233676","2020-10-21","18:00:00",""
"1553185","17.987","0.003","18.451","0.004","19.171","0.004","90","","117.87","0.02","90","","5624","2","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H27 N5 O5 -","- C82 H27 N5 O5 -","- C328 H108 N20 O20 -","4","1","","Xu, Liang; Liang, Sisi; Sun, Jiahao; Gan, Liangbing","Open-cage fullerene with a stopper acts as a molecular vial for a single water molecule","Organic Chemistry Frontiers","2015","2","11","1500","","10.1039/C5QO00265F","","","0.71073","MoKα","","0.2279","0.087","","","0.1789","0.2221","","","","","","0.821","","","","has coordinates","233676","2020-10-21","18:00:00",""
"1553186","12.9202","0.0002","7.9412","0.0001","14.2105","0.0002","90","","91.2584","0.0011","90","","1457.67","0.04","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Br F3 O2 S -","- C16 H8 Br F3 O2 S -","- C64 H32 Br4 F12 O8 S4 -","4","1","","Zeng, Yao-Fu; Tan, Dong-Hang; Chen, Yunyun; Lv, Wen-Xin; Liu, Xu-Ge; Li, Qingjiang; Wang, Honggen","Direct radical trifluoromethylthiolation and thiocyanation of aryl alkynoate esters: mild and facile synthesis of 3-trifluoromethylthiolated and 3-thiocyanated coumarins","Organic Chemistry Frontiers","2015","2","11","1511","","10.1039/C5QO00271K","","x-ray","1.54184","CuKα","","0.0402","0.039","","","0.1079","0.1093","","","","","","1.099","","","","has coordinates","233678","2020-10-21","18:00:00",""
"1553187","8.4582","0.0005","11.1421","0.0005","18.5214","0.0012","90","","100.439","0.005","90","","1716.61","0.17","291.73","0.1","291.73","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Li, Yaxuan; Fu, Yajie; Ren, Chaojie; Tang, Dong; Wu, Ping; Meng, Xu; Chen, Baohua","Copper-catalyzed oxidative coupling reaction of α,β-unsaturated aldehydes with amidines: synthesis of 1,2,4-trisubstituted-1H-imidazole-5-carbaldehydes","Organic Chemistry Frontiers","2015","2","12","1632","","10.1039/C5QO00285K","","x-ray","0.71073","MoKα","","0.0863","0.0557","","","0.1205","0.1413","","","","","","1.054","","","","has coordinates","233680","2020-10-21","18:00:00",""
"1553188","10.6439","0.0013","11.6245","0.0014","21.782","0.003","90","","100.416","0.002","90","","2650.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 F6 N2 O P2 Rh -","- C26 H23 F6 N2 O P2 Rh -","- C104 H92 F24 N8 O4 P8 Rh4 -","4","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.051","0.0382","","","0.0948","0.1062","","","","","","1.057","","","","has coordinates","233682","2020-10-21","18:00:00",""
"1553189","13.4021","0.0009","10.9937","0.0007","15.6906","0.001","90","","97.462","0.003","90","","2292.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 F6 N2 O P2 Rh -","- C20 H27 F6 N2 O P2 Rh -","- C80 H108 F24 N8 O4 P8 Rh4 -","4","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.0675","0.0381","","","0.0833","0.0988","","","","","","1.079","","","","has coordinates","233682","2020-10-21","18:00:00",""
"1553190","9.70447","0.00019","9.77001","0.00015","14.1603","0.0003","83.358","0.001","74.636","0.001","74.636","0.001","1246.84","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 F6 N2 O2 P2 Rh -","- C22 H25 F6 N2 O2 P2 Rh -","- C44 H50 F12 N4 O4 P4 Rh2 -","2","1","","Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.","Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes","Organic Chemistry Frontiers","2015","2","12","1561","","10.1039/C5QO00287G","","","0.71073","MoKα","","0.0243","0.0221","","","0.0567","0.0577","","","","","","1.057","","","","has coordinates,has disorder","233682","2020-10-21","18:00:00",""
"1553191","10.0366","0.0004","10.6641","0.0005","12.3895","0.0005","70.891","0.002","84.601","0.002","64.031","0.002","1124.59","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Cl N2 O0.25 Ru S -","- C24 H25 Cl N2 O0.25 Ru S -","- C48 H50 Cl2 N4 O0.5 Ru2 S2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0285","0.0251","","","0.0631","0.0649","","","","","","1.074","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553192","10.4555","0.0004","15.1572","0.0005","16.4668","0.0006","90","","94.422","0.002","90","","2601.83","0.16","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl N2 Ru S -","- C30 H29 Cl N2 Ru S -","- C120 H116 Cl4 N8 Ru4 S4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0415","0.0336","","","0.0868","0.0974","","","","","","1.088","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553193","10.5184","0.0005","10.8146","0.0005","11.5002","0.0005","87.04","0.001","64.781","0.001","69.987","0.001","1105.18","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Br N2 Ru S -","- C24 H25 Br N2 Ru S -","- C48 H50 Br2 N4 Ru2 S2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.0467","0.0291","","","0.0534","0.057","","","","","","1.074","","","","has coordinates,has disorder","233684","2020-10-21","18:00:00",""
"1553194","14.301","0.004","11.104","0.003","15.932","0.005","90","","108.464","0.006","90","","2399.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl N2 Ru S -","- C28 H27 Cl N2 Ru S -","- C112 H108 Cl4 N8 Ru4 S4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Cyclometallated ruthenium(ii) complexes with ditopic thienyl‒NHC ligands: syntheses and alkyne annulations","Organic Chemistry Frontiers","2015","2","12","1598","","10.1039/C5QO00292C","","","0.71073","MoKα","","0.029","0.0271","","","0.0641","0.0651","","","","","","1.064","","","","has coordinates","233684","2020-10-21","18:00:00",""
"1553244","11.6881","0.0013","17.6933","0.0019","12.7663","0.0014","90","","97.516","0.001","90","","2617.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12156a","","","- C37 H28 O -","- C37 H28 O -","- C148 H112 O4 -","4","1","","Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E.","Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels‒Alder Reaction Sequence","Journal of Chemical Education","2015","92","8","1381","","10.1021/acs.jchemed.5b00027","","","0.71073","MoKα","","0.0584","0.0414","","","0.0951","0.1055","","","","","","1.038","","","","has coordinates","234002","2020-10-21","18:00:00",""
"1553245","10.6896","0.0009","11.5817","0.001","12.2608","0.0015","118.181","0.001","94.775","0.002","99.292","0.002","1298.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H28 O -","- C37 H28 O -","- C74 H56 O2 -","2","1","","Hoang, Giang T.; Kubo, Tomohiro; Young, Victor G.; Kautzky, Jacob A.; Wissinger, Jane E.","Illustrating the Utility of X-ray Crystallography for Structure Elucidation through a Tandem Aldol Condensation/Diels‒Alder Reaction Sequence","Journal of Chemical Education","2015","92","8","1381","","10.1021/acs.jchemed.5b00027","","","0.71073","MoKα","","0.0768","0.0465","","","0.1037","0.1154","","","","","","1.014","","","","has coordinates","234003","2020-10-21","18:00:00",""
"1553249","4.9653","0.0001","10.6228","0.0002","34.2129","0.0006","90","","90","","90","","1804.57","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun","Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.","Journal of medicinal chemistry","2015","58","5","2538","2546","10.1021/acs.jmedchem.5b00118","","","1.54178","CuKα","","0.0462","0.0446","","","0.1147","0.1163","","","","","","1.103","","","","has coordinates","234006","2020-10-21","18:00:00",""
"1553280","9.3781","0.0002","12.6568","0.0003","27.0482","0.0006","90","","90","","90","","3210.53","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0798","0.0794","","","0.2097","0.2106","","","","","","1.186","","","","has coordinates","234046","2020-10-21","18:00:00",""
"1553281","18.0066","0.0003","13.5854","0.0002","13.2739","0.0002","90","","93.898","0.001","90","","3239.64","0.09","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C69 H92 O13 -","- C68.5 H92 O13 -","- C137 H184 O26 -","2","0.5","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0567","0.0557","","","0.1602","0.1618","","","","","","1.052","","","","has coordinates,has disorder","234047","2020-10-21","18:00:00",""
"1553282","9.3216","0.0004","13.2025","0.0006","13.8291","0.0006","90","","107.968","0.001","90","","1618.92","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C72 H108 O10 -","2","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0679","0.0678","","","0.1822","0.1827","","","","","","1.079","","","","has coordinates","234048","2020-10-21","18:00:00",""
"1553283","10.7509","0.0001","7.7655","0.0001","14.8907","0.0002","90","","99.69","","90","","1225.43","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C60 H72 O8 -","2","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0297","0.0296","","","0.0786","0.0787","","","","","","1.03","","","","has coordinates","234050","2020-10-21","18:00:00",""
"1553284","10.0575","0.0003","16.0634","0.0004","17.39","0.0004","90","","90","","90","","2809.49","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0346","0.0345","","","0.0899","0.0901","","","","","","1.087","","","","has coordinates","234051","2020-10-21","18:00:00",""
"1553285","9.7135","0.0003","13.9213","0.0004","31.7069","0.0008","90","","90","","90","","4287.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24.6667 N2 O1.3333 -","- C16 H24 N2 O1.33333 -","- C192 H288 N24 O16 -","12","3","","Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang","Alkaloids with Different Carbon Units from Myrioneuron faberi.","Journal of natural products","2015","78","11","2609","2616","10.1021/acs.jnatprod.5b00543","","","1.54178","CuKα","","0.0452","0.045","","","0.128","0.1283","","","","","","1.083","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553286","9.1535","0.0015","5.1702","0.0009","14.568","0.002","90","","106.495","0.002","90","","661.06","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 N2 -","- C15 H26 N2 -","- C30 H52 N4 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang","Alkaloids with Different Carbon Units from Myrioneuron faberi.","Journal of natural products","2015","78","11","2609","2616","10.1021/acs.jnatprod.5b00543","","","0.71073","MoKα","","0.0375","0.0352","","","0.0994","0.1019","","","","","","1.073","","","","has coordinates","234054","2020-10-21","18:00:00",""
"1553287","8.8466","0.0002","9.1188","0.0002","9.5971","0.0002","95.094","0.001","112.717","0.001","112.004","0.001","636.97","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H24 N2 O -","- C15 H24 N2 O -","- C30 H48 N4 O2 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang","Alkaloids with Different Carbon Units from Myrioneuron faberi.","Journal of natural products","2015","78","11","2609","2616","10.1021/acs.jnatprod.5b00543","","","1.54178","CuKα","","0.0515","0.0514","","","0.1481","0.1483","","","","","","1.054","","","","has coordinates","234056","2020-10-21","18:00:00",""
"1553992","7.0211","0.0002","8.3237","0.0002","15.1967","0.0004","86.651","0.0017","85.306","0.0019","89.485","0.0019","883.62","0.04","100","2","99.92","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 I N4 O4 -","- C16 H19 I N4 O4 -","- C32 H38 I2 N8 O8 -","2","1","","Rosokha, Sergiy V.; Loboda, Eric A.","Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine.","The journal of physical chemistry. A","2015","119","16","3833","3842","10.1021/acs.jpca.5b01600","","","0.71073","MoKα","","0.0318","0.0266","","","0.0601","0.0628","","","","","","1.07","","","","has coordinates","236392","2020-10-21","18:00:00",""
"1553993","6.9478","0.0002","8.2799","0.0002","15.0522","0.0004","94.6594","0.0013","93.2402","0.0014","90.2781","0.0014","861.63","0.04","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N4 O4 -","- C16 H19 Br N4 O4 -","- C32 H38 Br2 N8 O8 -","2","1","","Rosokha, Sergiy V.; Loboda, Eric A.","Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine.","The journal of physical chemistry. A","2015","119","16","3833","3842","10.1021/acs.jpca.5b01600","","","0.71073","MoKα","","0.0498","0.0393","","","0.0986","0.1039","","","","","","1.023","","","","has coordinates","236394","2020-10-21","18:00:00",""
"1553994","7.7528","0.0004","19.1764","0.0011","11.3962","0.0006","90","","93.209","0.001","90","","1691.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B Cl N2 O3 -","- C18 H18 B Cl N2 O3 -","- C72 H72 B4 Cl4 N8 O12 -","4","1","","Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S.","Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media.","The journal of physical chemistry. A","2015","119","16","3853","3868","10.1021/acs.jpca.5b01921","","","0.71073","MoKα","","0.0643","0.0384","","","0.0927","0.1034","","","","","","1.016","","","","has coordinates","236396","2020-10-21","18:00:00",""
"1553995","9.4694","0.0008","13.2943","0.0011","14.0325","0.0012","90","","90.038","0.002","90","","1766.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B F12 N O4 -","- C10 H16 B F12 N O4 -","- C40 H64 B4 F48 N4 O16 -","4","1","","Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S.","Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media.","The journal of physical chemistry. A","2015","119","16","3853","3868","10.1021/acs.jpca.5b01921","","","0.71073","MoKα","","0.0875","0.0502","","","0.1","0.1161","","","","","","1.009","","","","has coordinates","236398","2020-10-21","18:00:00",""
"1553996","12.1161","0.0005","29.0903","0.0012","11.0501","0.0005","90","","92.127","0.002","90","","3892","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H25.95 Cd N6 O8.98 -","- C12 H16 Cd N6 O8.975 -","- C96 H128 Cd8 N48 O71.8 -","8","2","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.","The journal of physical chemistry. A","2015","119","45","11119","11127","10.1021/acs.jpca.5b07864","","","0.7749","synchrotron","","0.0732","0.0461","","","0.1035","0.1162","","","","","","1.036","","","","has coordinates,has disorder","236400","2020-10-21","18:00:00",""
"1553997","12.2555","0.0005","29.4689","0.0013","11.1087","0.0005","90","","92.396","0.002","90","","4008.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H25.8 Cd N6 O8.9 -","- C12 H16 Cd N6 O8.9 -","- C96 H128 Cd8 N48 O71.2 -","8","2","","Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline","Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.","The journal of physical chemistry. A","2015","119","45","11119","11127","10.1021/acs.jpca.5b07864","","","0.7749","synchrotron","","0.0795","0.0576","","","0.132","0.1485","","","","","","1.042","","","","has coordinates,has disorder","236402","2020-10-21","18:00:00",""
"1553998","9.9486","0.0011","10.079","0.0015","10.8072","0.0015","100.318","0.005","90.072","0.005","96.899","0.005","1058.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Cl N -","- C29 H21 Cl N -","- C58 H42 Cl2 N2 -","2","1","","Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.","Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.","The journal of physical chemistry. A","2015","119","42","10481","10493","10.1021/acs.jpca.5b08445","","","0.71073","MoKα","","0.0938","0.0595","","","0.1771","0.2056","","","","","","1.049","","","","has coordinates,has disorder","236403","2020-10-21","18:00:00",""
"1553999","7.2042","0.0003","15.6697","0.0006","12.5803","0.0005","90","","91.753","0.002","90","","1419.5","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.","Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.","The journal of physical chemistry. A","2015","119","42","10481","10493","10.1021/acs.jpca.5b08445","","","0.71073","MoKα","","0.0491","0.0378","","","0.1141","0.1211","","","","","","1.624","","","","has coordinates","236405","2020-10-21","18:00:00",""
"1554000","9.872","0.003","12.082","0.003","12.46","0.003","90","","103.028","0.009","90","","1447.9","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","1","","Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.","Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.","The journal of physical chemistry. A","2015","119","42","10481","10493","10.1021/acs.jpca.5b08445","","","0.71073","MoKα","","0.1016","0.0515","","","0.1294","0.168","","","","","","1.034","","","","has coordinates","236407","2020-10-21","18:00:00",""
"1554001","13.8324","0.0009","9.3533","0.0006","10.2395","0.0004","90","","101.943","0.002","90","","1296.1","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","","Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.","Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.","The journal of physical chemistry. A","2015","119","42","10481","10493","10.1021/acs.jpca.5b08445","","","0.71073","MoKα","","0.0622","0.0376","","","0.1175","0.1454","","","","","","0.97","","","","has coordinates","236409","2020-10-21","18:00:00",""
"1554002","5.89","0.003","14.574","0.007","19.326","0.01","90","","93.463","0.008","90","","1655.9","1.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N5 O -","- C16 H24 N5 O -","- C64 H96 N20 O4 -","4","1","","Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.","Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.","The journal of physical chemistry. A","2015","119","43","10750","10760","10.1021/acs.jpca.5b09295","","","0.71073","MoKα","","0.1059","0.0494","","","0.1036","0.1265","","","","","","0.997","","","","has coordinates","236411","2020-10-21","18:00:00",""
"1554003","16.865","0.0004","13.1791","0.0002","19.9462","0.0005","90","","90.015","0.003","90","","4433.35","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 F3 N5 O4 S -","- C17 H25 F3 N5 O4 S -","- C136 H200 F24 N40 O32 S8 -","8","2","","Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.","Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.","The journal of physical chemistry. A","2015","119","43","10750","10760","10.1021/acs.jpca.5b09295","","","0.7107","MoKα","","0.0675","0.0496","","","0.1296","0.1407","","","","","","1.039","","","","has coordinates","236412","2020-10-21","18:00:00",""
"1554004","8.054","0.003","5.95","0.002","17.507","0.006","90","","95.31","0.005","90","","835.4","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N5 O -","- C16 H24 N5 O -","- C32 H48 N10 O2 -","2","1","","Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.","Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.","The journal of physical chemistry. A","2015","119","43","10750","10760","10.1021/acs.jpca.5b09295","","","0.71073","MoKα","","0.0713","0.0498","","","0.1212","0.1358","","","","","","1.046","","","","has coordinates","236414","2020-10-21","18:00:00",""
"1554031","11.6367","0.0007","27.4387","0.0018","11.7856","0.0007","90","","95.372","0.004","90","","3746.6","0.4","100","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","PerNO","","- C26 H22 N O -","- C26 H22 N O -","- C208 H176 N8 O8 -","8","2","","Dyar, Scott M.; Margulies, Eric A.; Horwitz, Noah E.; Brown, Kristen E.; Krzyaniak, Matthew D.; Wasielewski, Michael R.","Photogenerated Quartet State Formation in a Compact Ring-Fused Perylene-Nitroxide.","The journal of physical chemistry. B","2015","119","43","13560","13569","10.1021/acs.jpcb.5b02378","","","1.54178","CuKα","","0.1106","0.0885","","","0.2414","0.2596","","","","","","1.061","","","","has coordinates","236463","2020-10-21","18:00:00",""
"1554032","9.6761","0.0003","10.502","0.0004","10.8995","0.0004","76.6369","0.0019","80.4476","0.0018","76.735","0.002","1041.37","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N O5 -","- C24 H26 N O5 -","- C48 H52 N2 O10 -","2","1","","Ravat, Prince; Baumgarten, Martin","Positional Isomers of Tetramethoxypyrene-based Mono- and Biradicals.","The journal of physical chemistry. B","2015","119","43","13649","13655","10.1021/acs.jpcb.5b03056","","","0.71073","MoKα","","0.0662","0.0539","","0.0808","0.0643","0.0639","","","","","","1.0552","","","","has coordinates","236465","2020-10-21","18:00:00",""
"1554033","8.1986","0.0002","21.6402","0.0009","11.6933","0.0005","90","","100.589","0.002","90","","2039.29","0.13","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N O5 -","- C24 H26 N O5 -","- C96 H104 N4 O20 -","4","1","","Ravat, Prince; Baumgarten, Martin","Positional Isomers of Tetramethoxypyrene-based Mono- and Biradicals.","The journal of physical chemistry. B","2015","119","43","13649","13655","10.1021/acs.jpcb.5b03056","","","0.71073","MoKα","","0.087","0.0671","","0.0808","0.0754","0.0749","","","","","","1.0279","","","","has coordinates","236467","2020-10-21","18:00:00",""
"1554034","6.57487","0.00008","10.21418","0.00012","15.22634","0.00017","90","","90","","90","","1022.55","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br2 N4 O4 S -","- C6 Br2 N4 O4 S -","- C24 Br8 N16 O16 S4 -","4","1","","Pavan, Mysore S.; Jana, Ajay Kumar; Natarajan, S.; Guru Row, Tayur N.","Halogen Bonding and Chalcogen Bonding in 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole.","The journal of physical chemistry. B","2015","119","34","11382","11390","10.1021/acs.jpcb.5b03533","","x-ray","0.71073","MoKα","","0.062","0.0356","","","0.0553","0.06","","","","","","0.947","","","","has coordinates","236469","2020-10-21","18:00:00",""
"1554035","9.167","0.0005","10.2561","0.0005","11.4773","0.0006","86.709","0.004","77.084","0.004","76.289","0.004","1021.78","0.09","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C6 Br2 N4 O4 S -","- C6 Br2 N4 O4 S -","- C24 Br8 N16 O16 S4 -","4","2","","Pavan, Mysore S.; Jana, Ajay Kumar; Natarajan, S.; Guru Row, Tayur N.","Halogen Bonding and Chalcogen Bonding in 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole.","The journal of physical chemistry. B","2015","119","34","11382","11390","10.1021/acs.jpcb.5b03533","","x-ray","0.71073","MoKα","","0.0501","0.0397","","","0.0733","0.0797","","","","","","1.037","","","","has coordinates","236470","2020-10-21","18:00:00",""
"1554036","32.1","0.0015","4.1188","0.0002","9.6966","0.0004","90","","90","","90","","1282.02","0.1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H5 N2 O5 a -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","","Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study.","The journal of physical chemistry. B","2015","119","33","10466","10477","10.1021/acs.jpcb.5b05082","","","0.71073","MoKα","","0.0356","0.0333","","","0.0866","0.0884","","","","","","1.031","","","","has coordinates","236472","2020-10-21","18:00:00",""
"1554037","13.8869","0.0005","8.01874","0.00018","12.8184","0.0004","90","","115.187","0.004","90","","1291.69","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Manin, Alex N.; Voronin, Alexander P.; Shishkina, Anastasia V.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study.","The journal of physical chemistry. B","2015","119","33","10466","10477","10.1021/acs.jpcb.5b05082","","","0.71073","MoKα","","0.0551","0.0391","","","0.092","0.1009","","","","","","1.038","","","","has coordinates","236473","2020-10-21","18:00:00",""
"1554038","3.614","0.0007","16.42","0.003","6.773","0.003","90","","90.36","0.03","90","","401.9","0.2","293","","293","","","","1700000","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Marshall, William G.; Urquhart, Andrew J.; Oswald, Iain D. H.","Investigation of Methacrylic Acid at High Pressure Using Neutron Diffraction.","The journal of physical chemistry. B","2015","119","36","12147","12154","10.1021/acs.jpcb.5b07106","","","0.71073","MoKα","","0.1112","0.0551","","0.1434","0.0474","0.0474","","","","","","1.164","","","","has coordinates","236475","2020-10-21","18:00:00",""
"1554039","16.652","0.003","17.462","0.004","22.655","0.005","90.18","0.03","108.31","0.03","116.32","0.03","5527","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 Co N6 O7 -","- C56 H50 Co N6 O7 -","- C224 H200 Co4 N24 O28 -","4","2","","Liu, Qiuhua; Zhang, Xi; Zeng, Wennan; Wang, Jianxiu; Zhou, Zaichun","Fine-Tuning of Electronic Structure of Cobalt(II) Ion in Nonplanar Porphyrins and Tracking of a Cross-Hybrid Stage: Implications for the Distortion of Natural Tetrapyrrole Macrocycles.","The journal of physical chemistry. B","2015","119","44","14102","14110","10.1021/acs.jpcb.5b08431","","","0.71073","MoKα","","0.0966","0.0689","","","0.1711","0.1853","","","","","","1.062","","","","has coordinates,has disorder","236476","2020-10-21","18:00:00",""
"1554040","15.633","0.003","16.027","0.003","16.146","0.003","61.61","0.03","63.25","0.03","63.09","0.03","3027.9","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H56 Co N6 O7 -","- C59 H56 Co N6 O7 -","- C118 H112 Co2 N12 O14 -","2","1","","Liu, Qiuhua; Zhang, Xi; Zeng, Wennan; Wang, Jianxiu; Zhou, Zaichun","Fine-Tuning of Electronic Structure of Cobalt(II) Ion in Nonplanar Porphyrins and Tracking of a Cross-Hybrid Stage: Implications for the Distortion of Natural Tetrapyrrole Macrocycles.","The journal of physical chemistry. B","2015","119","44","14102","14110","10.1021/acs.jpcb.5b08431","","","0.71073","MoKα","","0.1289","0.1041","","","0.2522","0.2646","","","","","","1.096","","","","has coordinates,has disorder","236478","2020-10-21","18:00:00",""
"1554041","14.149","0.003","16.352","0.003","16.598","0.003","60.98","0.03","85.09","0.03","65.72","0.03","3029.6","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 Co N6 O7 -","- C58 H54 Co N6 O7 -","- C116 H108 Co2 N12 O14 -","2","1","","Liu, Qiuhua; Zhang, Xi; Zeng, Wennan; Wang, Jianxiu; Zhou, Zaichun","Fine-Tuning of Electronic Structure of Cobalt(II) Ion in Nonplanar Porphyrins and Tracking of a Cross-Hybrid Stage: Implications for the Distortion of Natural Tetrapyrrole Macrocycles.","The journal of physical chemistry. B","2015","119","44","14102","14110","10.1021/acs.jpcb.5b08431","","","0.71073","MoKα","","0.1573","0.115","","","0.2786","0.3013","","","","","","1.024","","","","has coordinates,has disorder","236480","2020-10-21","18:00:00",""
"1554042","18.9824","0.0005","21.2118","0.0005","28.7759","0.0007","73.804","0.002","74.979","0.002","67.777","0.002","10145.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl3 Co N6 O6 -","- C57 H49 Cl3 Co N6 O6 -","- C456 H392 Cl24 Co8 N48 O48 -","8","4","","Liu, Qiuhua; Zhang, Xi; Zeng, Wennan; Wang, Jianxiu; Zhou, Zaichun","Fine-Tuning of Electronic Structure of Cobalt(II) Ion in Nonplanar Porphyrins and Tracking of a Cross-Hybrid Stage: Implications for the Distortion of Natural Tetrapyrrole Macrocycles.","The journal of physical chemistry. B","2015","119","44","14102","14110","10.1021/acs.jpcb.5b08431","","","1.54178","CuKα","","0.1397","0.1105","","","0.2802","0.2974","","","","","","1.071","","","","has coordinates,has disorder","236482","2020-10-21","18:00:00",""
"1554053","10.194","0.002","11.472","0.002","13.683","0.003","90","","97.76","0.03","90","","1585.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Hariharan, P. S.; Venkataramanan, N. S.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-Reversible Mechanochromism and Thermochromism of a Triphenylamine-Based Molecule: Tunable Fluorescence and Nanofabrication Studies","The Journal of Physical Chemistry C","2015","119","17","9460","","10.1021/acs.jpcc.5b00310","","","0.62998","synchrotron","","0.0449","0.0393","","","0.1116","0.1158","","","","","","1.066","","","","has coordinates","236504","2020-10-21","18:00:00",""
"1554054","6.1967","0.0015","12.558","0.003","18.169","0.004","90","","95.745","0.003","90","","1406.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(G3)1:LiPF6","","","- C8 H18 F6 Li O4 P -","- C8 H18 F6 Li O4 P -","- C32 H72 F24 Li4 O16 P4 -","4","1","","Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes","The Journal of Physical Chemistry C","2015","119","16","8492","","10.1021/acs.jpcc.5b00826","","","0.71073","MoKα","","0.036","0.0306","","","0.0726","0.0753","","","","","","1.037","","","","has coordinates","236506","2020-10-21","18:00:00",""
"1554055","9.5125","0.0006","21.8997","0.0013","8.5903","0.0006","90","","90","","90","","1789.5","0.2","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(DEC)2:LiPF6","","","- C5 H10 F3 Li0.5 O3 P0.5 -","- C5 H10 F3 Li0.5 O3 P0.5 -","- C40 H80 F24 Li4 O24 P4 -","8","1","","Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes","The Journal of Physical Chemistry C","2015","119","16","8492","","10.1021/acs.jpcc.5b00826","","","0.71073","MoKα","","0.1045","0.0826","","","0.2273","0.2381","","","","","","1.19","","","","has coordinates","236506","2020-10-21","18:00:00",""
"1554056","9.93781","0.00014","15.1528","0.0002","17.8125","0.0002","69.7564","0.0013","88.9555","0.0011","87.1772","0.0012","2513.57","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,9,14,18-tetraoctyloxy-dinaphto[2,3-a:2,3-h]phenazine","","- C60 H80 N2 O4 -","- C60 H80 N2 O4 -","- C120 H160 N4 O8 -","2","1","","Kotwica, Kamil; Bujak, Piotr; Wamil, Damian; Pieczonka, Adam; Wiosna-Salyga, Gabriela; Gunka, Piotr A.; Jaroch, Tomasz; Nowakowski, Robert; Luszczynska, Beata; Witkowska, Ewelina; Glowacki, Ireneusz; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","Structural, Spectroscopic, Electrochemical, and Electroluminescent Properties of Tetraalkoxydinaphthophenazines: New Solution-Processable Nonlinear Azaacenes","The Journal of Physical Chemistry C","2015","119","19","10700","","10.1021/acs.jpcc.5b01557","","x-ray","0.71073","MoKα","","0.0809","0.0513","","","0.1326","0.1543","","","","","","1.024","","","","has coordinates","236511","2020-10-21","18:00:00",""
"1554057","9.8574","0.0005","17.6322","0.0007","17.7861","0.0008","68.547","0.004","87.477","0.004","89.776","0.004","2874.1","0.2","120","2","120","","","","","","","","","4","P -1","-P 1","2","","5,9,14,18-tetradecyloxy-dinaphto[2,3-a:2,3-h]phenazine","","- C68 H96 N2 O4 -","- C68 H96 N2 O4 -","- C136 H192 N4 O8 -","2","1","","Kotwica, Kamil; Bujak, Piotr; Wamil, Damian; Pieczonka, Adam; Wiosna-Salyga, Gabriela; Gunka, Piotr A.; Jaroch, Tomasz; Nowakowski, Robert; Luszczynska, Beata; Witkowska, Ewelina; Glowacki, Ireneusz; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","Structural, Spectroscopic, Electrochemical, and Electroluminescent Properties of Tetraalkoxydinaphthophenazines: New Solution-Processable Nonlinear Azaacenes","The Journal of Physical Chemistry C","2015","119","19","10700","","10.1021/acs.jpcc.5b01557","","x-ray","1.54184","CuKα","","0.1066","0.0686","","","0.2049","0.2499","","","","","","1.064","","","","has coordinates","236511","2020-10-21","18:00:00",""
"1554058","12.663","0.0017","33.528","0.004","12.2027","0.0012","90","","90","","90","","5180.8","1.1","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-(piperidin-1-yl(pyridin-4-yl)methyl)urea","","- C12 H18 N4 O -","- C12 H18 N4 O -","- C192 H288 N64 O16 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0705","0.0533","","","0.1345","0.1543","","","","","","1.063","","","","has coordinates","236513","2020-10-21","18:00:00",""
"1554059","12.2079","0.0011","34.449","0.003","11.8236","0.0006","90","","90","","90","","4972.4","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","morpholinopyridinylurea","1-(morpholino(pyridin-4-yl)methyl)urea","","- C11 H16 N4 O2 -","- C11 H16 N4 O2 -","- C176 H256 N64 O32 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0546","0.045","","","0.1677","0.1969","","","","","","0.818","","","","has coordinates","236514","2020-10-21","18:00:00",""
"1554060","8.4758","0.0003","44.7106","0.0015","9.2023","0.0003","90","","115.97","0.0015","90","","3135.15","0.19","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 F6 I6 O P -","- C25 H13 F6 I6 O P -","- C100 H52 F24 I24 O4 P4 -","4","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0503","0.0492","","","0.1073","0.1077","","","","","","1.348","","","","has coordinates","236516","2020-10-21","18:00:00",""
"1554061","8.6823","0.0002","12.8395","0.0002","15.127","0.0003","90.4885","0.001","97.5416","0.001","105.886","0.0011","1606.12","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H15 F8 I4 O P -","- C30 H15 F8 I4 O P -","- C60 H30 F16 I8 O2 P2 -","2","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.052","0.0408","","","0.1019","0.1092","","","","","","1.034","","","","has coordinates,has disorder","236517","2020-10-21","18:00:00",""
"1554062","9.7436","0.0002","10.7585","0.0002","13.5453","0.0003","113.174","0.001","96.9048","0.001","107.42","0.0011","1198.74","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F3 I3 O P -","- C24 H15 F3 I3 O P -","- C48 H30 F6 I6 O2 P2 -","2","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0216","0.0198","","","0.0519","0.053","","","","","","1.017","","","","has coordinates","236519","2020-10-21","18:00:00",""
"1554063","21.9816","0.0016","18.0739","0.0014","5.8075","0.0004","90","","90","","90","","2307.3","0.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H16 F4 I2 N O P -","- C21 H17 F4 I2 N O P -","- C84 H68 F16 I8 N4 O4 P4 -","4","0.5","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0192","0.0182","","","0.0492","0.0497","","","","","","1.022","","","","has coordinates","236520","2020-10-21","18:00:00",""
"1554064","9.319","0.0006","25.4268","0.0018","13.8063","0.0009","90","","103.942","0.0017","90","","3175.1","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H15 F8 I4 O P -","- C30 H15 F8 I4 O P -","- C120 H60 F32 I16 O4 P4 -","4","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0353","0.0339","","","0.085","0.0864","","","","","","1.044","","","","has coordinates","236521","2020-10-21","18:00:00",""
"1554147","10.4","0.002","15.6","0.003","20","0.004","90","","105","0.03","90","","3134.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Lu O Si3 -","- C28 H47 Lu O Si3 -","- C112 H188 Lu4 O4 Si12 -","4","1","","Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang","1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts","Macromolecules","2015","48","6","1627","","10.1021/acs.macromol.5b00037","","","0.71073","MoKα","","0.028","0.0271","","","0.0593","0.0598","","","","","","1.121","","","","has coordinates","236686","2020-10-21","18:00:00",""
"1554148","10.4","0.002","15.8","0.003","20","0.004","90","","104.6","0.03","90","","3180.3","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 O Si3 Y -","- C28 H47 O Si3 Y -","- C112 H188 O4 Si12 Y4 -","4","1","","Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang","1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts","Macromolecules","2015","48","6","1627","","10.1021/acs.macromol.5b00037","","","0.71073","MoKα","","0.044","0.0393","","","0.1042","0.1068","","","","","","1.158","","","","has coordinates","236688","2020-10-21","18:00:00",""
"1554149","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554150","15.7822","0.0006","5.6013","0.0002","16.275","0.0005","90","","99.255","0.003","90","","1419.99","0.09","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O4 -","- C18 H16.998 O4 -","- C72 H67.992 O16 -","4","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","1.54178","CuKα","","0.0557","0.0502","","","0.1345","0.1382","","","","","","1.082","","","","has coordinates,has disorder","236690","2020-10-21","18:00:00",""
"1554151","9.226","0.0003","20.5019","0.0008","24.273","0.0009","90","","96.132","0.001","90","","4565","0.3","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 N8 O10 -","- C44 H68 N8 O10 -","- C176 H272 N32 O40 -","4","1","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","1.54178","CuKα","","0.0773","0.0687","","","0.2013","0.214","","","","","","1.03","","","","has coordinates,has disorder","236690","2020-10-21","18:00:00",""
"1554152","5.5677","0.0004","9.2109","0.0007","35.394","0.003","90","","91.726","0.001","90","","1814.3","0.2","100","2","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 O4 -","- C23 H19 O4 -","- C92 H76 O16 -","4","1","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0444","0.0376","","","0.0894","0.0934","","","","","","1.038","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554153","5.8334","0.0002","14.4688","0.0005","14.48","0.0005","119.601","0.001","90.053","0.002","95.149","0.002","1056.9","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H46 O8 -","- C54 H46 O8 -","- C54 H46 O8 -","1","0.5","","Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.","Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization","Macromolecules","2015","48","9","2894","","10.1021/acs.macromol.5b00109","","","0.71073","MoKα","","0.0543","0.0449","","","0.1305","0.1483","","","","","","1.025","","","","has coordinates","236690","2020-10-21","18:00:00",""
"1554154","12.6313","0.0018","7.672","0.0012","16.025","0.003","90","","107.02","0.004","90","","1484.9","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Kriechbaum, Konstantin; Cerrón-Infantes, D. Alonso; Stöger, Berthold; Unterlass, Miriam M.","Shape-Anisotropic Polyimide Particles by Solid-State Polycondensation of Monomer Salt Single Crystals","Macromolecules","2015","48","24","8773","","10.1021/acs.macromol.5b01545","","x-ray","0.71073","MoKα","","0.0415","0.0324","","","0.0466","0.047","","","","2.9","2.9","2.65","","","","has coordinates","288070","2023-12-06","12:50:20",""
"1554155","16.966","0.004","10.138","0.002","19.461","0.005","90","","104.447","0.006","90","","3241.5","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACPhenylIsocyanate","","","- C38 H38 N4 O4 -","- C38 H38 N4 O4 -","- C152 H152 N16 O16 -","4","1","","Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s","Macromolecules","2015","48","24","9081","","10.1021/acs.macromol.5b01930","","","0.71075","MoKα","","0.104","0.0843","","","0.2463","0.2575","","","","","","1.069","","","","has coordinates","236694","2020-10-21","18:00:00",""
"1554156","17.244","0.003","18.378","0.003","19.472","0.003","90","","113.868","0.003","90","","5643.1","1.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACPhenylIsocyanateCarbimidate","","","- C31 H33 N3 O3 -","- C31 H33 N3 O3 -","- C248 H264 N24 O24 -","8","2","","Lee, Young-Gi; Kang, Songsu; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Poly(2-imino-4-oxazolidinone)s via the Condensation of Diamidocarbenes with Bis(isocyanate)s","Macromolecules","2015","48","24","9081","","10.1021/acs.macromol.5b01930","","","0.71075","MoKα","","0.1614","0.0739","","","0.1445","0.1806","","","","","","1.006","","","","has coordinates","236694","2020-10-21","18:00:00",""
"1554159","7.3917","0.0004","5.808","0.0003","26.6182","0.0014","90","","94.1545","0.0018","90","","1139.74","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium Benzosulfonylperoxysulfate","","- C6 H7 K O8 S2 -","- C6 H7 K O8 S2 -","- C24 H28 K4 O32 S8 -","4","1","","Potzmann, Paul Michael; Lopez Villanueva, Francisco Javier; Liska, Robert","UV-Initiated Bubble-Free Frontal Polymerization in Aqueous Conditions","Macromolecules","2015","48","24","8738","","10.1021/acs.macromol.5b02348","","","0.71073","MoKα","","0.0257","0.0238","","","0.0603","0.0612","","","","","","1.047","","","","has coordinates","236699","2020-10-21","18:00:00",""
"1554753","7.9152","0.0009","11.4088","0.0014","28.388","0.003","90","","90","","90","","2563.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl N O4 -","- C31 H26 Cl N O4 -","- C124 H104 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Sheong, Fu Kit; Li, Qing-Hua; Lin, Zhenyang; Wang, Chun-Jiang","Exoselective 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acylcycloheptatrienes: stereoselectivity and mechanistic insight.","Organic letters","2015","17","6","1365","1368","10.1021/acs.orglett.5b00011","","","0.71073","MoKα","","0.0692","0.0397","","","0.0708","0.0821","","","","","","0.993","","","","has coordinates","238101","2020-10-21","18:00:00",""
"1554755","7.8931","0.0002","9.4542","0.0002","14.3399","0.0004","89.1605","0.0015","82.9814","0.0016","69.4905","0.0014","994.29","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KCE2","","","- C22 H25 O5 P -","- C22 H25 O5 P -","- C44 H50 O10 P2 -","2","1","","Kim, Cheol-Eui; Son, Jeong-Yu; Shin, Seohyun; Seo, Boram; Lee, Phil Ho","Alkenylation of phosphacoumarins via aerobic oxidative Heck reactions and their synthetic application to fluorescent benzophosphacoumarins.","Organic letters","2015","17","4","908","911","10.1021/acs.orglett.5b00020","","","0.71073","MoKα","","0.1165","0.0635","","","0.1755","0.2068","","","","","","1.048","","","","has coordinates","238103","2020-10-21","18:00:00",""
"1554756","12.2068","0.0019","13.731","0.002","14.626","0.002","90","","99.027","0.003","90","","2421.1","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 B F4 N2 O2 -","- C26 H23 B F4 N2 O2 -","- C104 H92 B4 F16 N8 O8 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.1044","0.0605","","","0.1551","0.1851","","","","","","1.057","","","","has coordinates","238104","2020-10-21","18:00:00",""
"1554764","10.72","0.003","18.331","0.004","12.174","0.003","90","","110.527","0.006","90","","2240.4","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B F4 N O -","- C25 H20 B F4 N O -","- C100 H80 B4 F16 N4 O4 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.098","0.073","","","0.2044","0.2217","","","","","","1.091","","","","has coordinates,has disorder","238106","2020-10-21","18:00:00",""
"1554765","12.3471","0.0004","13.3272","0.0004","13.9786","0.0005","90","","98.588","0.002","90","","2274.42","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F4 N2 O2 -","- C25 H21 B F4 N2 O2 -","- C100 H84 B4 F16 N8 O8 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.0607","0.0426","","","0.1293","0.1557","","","","","","1.087","","","","has coordinates","238107","2020-10-21","18:00:00",""
"1554767","7.081","0.0004","19.406","0.0012","9.491","0.0006","90","","98.161","0.002","90","","1290.99","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Cl N O3 -","- C31 H24 Cl N O3 -","- C62 H48 Cl2 N2 O6 -","2","1","","Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy","Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles.","Organic letters","2015","17","5","1066","1069","10.1021/acs.orglett.5b00034","","","0.71073","MoKα","","0.0981","0.0425","","","0.1003","0.1228","","","","","","0.977","","","","has coordinates","238109","2020-10-21","18:00:00",""
"1554773","10.3083","0.0006","14.3567","0.0007","19.2355","0.001","75.287","0.003","74.747","0.003","84.913","0.003","2655.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.05 H59.38 Cl5.87 Li0.15 N3 P3 Ti2 -","- C49.0508 H59.377 Cl5.8696 Li0.145 N3 P3 Ti2 -","- C98.1016 H118.754 Cl11.7392 Li0.29 N6 P6 Ti4 -","2","1","","Walker, Whitney K.; Anderson, Diana L.; Stokes, Ryjul W.; Smith, Stacey J.; Michaelis, David J.","Allylic aminations with hindered secondary amine nucleophiles catalyzed by heterobimetallic Pd-Ti complexes.","Organic letters","2015","17","3","752","755","10.1021/acs.orglett.5b00058","","","1.54178","CuKα","","0.0484","0.043","","","0.1133","0.1166","","","","","","1.084","","","","has coordinates,has disorder","238111","2020-10-21","18:00:00",""
"1554774","8.8951","0.0003","9.2936","0.0003","13.0036","0.0004","79.226","0.0012","76.069","0.0013","64.74","0.0011","939.24","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N P Ti -","- C16 H19 Cl3 N P Ti -","- C32 H38 Cl6 N2 P2 Ti2 -","2","1","","Walker, Whitney K.; Anderson, Diana L.; Stokes, Ryjul W.; Smith, Stacey J.; Michaelis, David J.","Allylic aminations with hindered secondary amine nucleophiles catalyzed by heterobimetallic Pd-Ti complexes.","Organic letters","2015","17","3","752","755","10.1021/acs.orglett.5b00058","","","1.54178","CuKα","","0.0295","0.028","","","0.0747","0.0763","","","","","","1.036","","","","has coordinates,has disorder","238112","2020-10-21","18:00:00",""
"1554776","13.871","0.0009","15.1622","0.0009","64.627","0.004","90","","90","","90","","13592","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 N1.6 O10 -","- C33 H26 N1.6 O10 -","- C660 H520 N32 O200 -","20","5","","Cao, Pei; Yang, Jing; Miao, Cui-Ping; Yan, Yijun; Ma, Ya-Tuan; Li, Xiao-Nian; Zhao, Li-Xing; Huang, Sheng-Xiong","New duclauxamide from Penicillium manginii YIM PH30375 and structure revision of the duclauxin family.","Organic letters","2015","17","5","1146","1149","10.1021/acs.orglett.5b00081","","","1.54178","CuKα","","0.2965","0.1368","","","0.2977","0.3783","","","","","","1.082","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554782","9.7972","0.0007","10.509","0.0008","15.4371","0.0011","72.931","0.007","74.564","0.006","84.268","0.006","1464.2","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 N5 O4 S -","- C34 H29 N5 O4 S -","- C68 H58 N10 O8 S2 -","2","1","","Du, Zao; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Copper-catalyzed cascade double C3-indolations of 3-diazoindolin-2-imines with indoles: convenient access to 3,3-diaryl-2-iminoindoles.","Organic letters","2015","17","5","1192","1195","10.1021/acs.orglett.5b00089","","","0.71073","MoKα","","0.0625","0.043","","","0.0952","0.1066","","","","","","1.027","","","","has coordinates","238116","2020-10-21","18:00:00",""
"1554783","17.5333","0.0008","9.245","0.0004","13.3467","0.0006","90","","107.946","0.002","90","","2058.18","0.16","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Bechara, William S.; Khazhieva, Inna S.; Rodriguez, Elsa; Charette, André B","One-pot synthesis of 3,4,5-trisubstituted 1,2,4-triazoles via the addition of hydrazides to activated secondary amides.","Organic letters","2015","17","5","1184","1187","10.1021/acs.orglett.5b00128","","x-ray","1.34139","GaKα","","0.0386","0.036","","","0.0925","0.0947","","","","","","1.033","","","","has coordinates","238117","2020-10-21","18:00:00",""
"1554791","10.5706","0.0011","17.3802","0.0016","10.1316","0.001","90","","96.996","0.007","90","","1847.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Bechara, William S.; Khazhieva, Inna S.; Rodriguez, Elsa; Charette, André B","One-pot synthesis of 3,4,5-trisubstituted 1,2,4-triazoles via the addition of hydrazides to activated secondary amides.","Organic letters","2015","17","5","1184","1187","10.1021/acs.orglett.5b00128","","x-ray","1.34139","GaKα","","0.1117","0.0595","","","0.1454","0.1626","","","","","","0.985","","","","has coordinates","238119","2020-10-21","18:00:00",""
"1554793","10.7482","0.0003","12.7229","0.0005","16.152","0.0007","90","","90","","90","","2208.76","0.14","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I N2 O3 S -","- C24 H21 I N2 O3 S -","- C96 H84 I4 N8 O12 S4 -","4","1","","Fu, Shaomin; Yang, Honghao; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Copper(II)-catalyzed enantioselective intramolecular cyclization of N-alkenylureas.","Organic letters","2015","17","4","1018","1021","10.1021/acs.orglett.5b00131","","","0.71073","MoKα","","0.0649","0.0416","","","0.0732","0.0828","","","","","","1.021","","","","has coordinates","238121","2020-10-21","18:00:00",""
"1554794","12.8993","0.0014","10.853","0.0011","11.6466","0.0011","90","","90","","90","","1630.5","0.3","293","2","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng","Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond.","Organic letters","2015","17","5","1200","1203","10.1021/acs.orglett.5b00151","","","0.71073","MoKα","","0.0566","0.0396","","","0.0889","0.0969","","","","","","1.073","","","","has coordinates","238122","2020-10-21","18:00:00",""
"1554796","12.939","0.003","13.093","0.003","15.573","0.004","90","","90","","90","","2638.2","1.1","193","2","193","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C24 H44 B2 N2 O4 -","- C24 H44 B2 N2 O4 -","- C96 H176 B8 N8 O16 -","4","0.5","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.1042","0.0729","","","0.1696","0.1916","","","","","","1.09","","","","has coordinates,has disorder","238124","2020-10-21","18:00:00",""
"1554797","18.923","0.011","58.36","0.03","11.127","0.006","90","","90","","90","","12288","12","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H49 B2 Co N2 O4 -","- C29 H49 B2 Co N2 O4 -","- C464 H784 B32 Co16 N32 O64 -","16","1","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.0539","0.0487","","","0.1098","0.1144","","","","","","1.076","","","","has coordinates,has disorder","238124","2020-10-21","18:00:00",""
"1554798","10.74","0.003","19.626","0.006","13.066","0.004","90","","93.197","0.005","90","","2749.8","1.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B2 N2 O5 -","- C24 H46 B2 N2 O5 -","- C96 H184 B8 N8 O20 -","4","1","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.1097","0.0813","","","0.1827","0.1992","","","","","","1.144","","","","has coordinates","238124","2020-10-21","18:00:00",""
"1554802","8.6014","0.0001","17.6656","0.0003","16.4517","0.0003","90","","107.162","0.001","90","","2388.51","0.07","115","","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 B2 O2 P -","- C24 H41 B2 O2 P -","- C96 H164 B8 O8 P4 -","4","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα","","0.067","0.0417","","","0.0987","0.1084","","","","","","1.042","","","","has coordinates","238127","2020-10-21","18:00:00",""
"1554803","12.674","0.002","9.2986","0.0014","12.919","0.002","90","","113.497","0.006","90","","1396.3","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H33 B2 Fe O2 P -","- C28 H33 B2 Fe O2 P -","- C56 H66 B4 Fe2 O4 P2 -","2","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα","","0.0613","0.0394","","","0.1001","0.1114","","","","","","1.019","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554804","10.3874","0.0006","17.4963","0.001","18.3521","0.0009","90","","90","","90","","3335.3","0.3","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 B2 Fe P -","- C40 H43 B2 Fe P -","- C160 H172 B8 Fe4 P4 -","4","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0293","0.0265","","","0.0669","0.0688","","","","","","1.063","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554806","10.5408","0.0012","14.0223","0.0015","15.567","0.0017","90","","95.216","0.002","90","","2291.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","2","","Wang, Hong-Li; Shang, Ming; Sun, Shang-Zheng; Zhou, Zeng-Le; Laforteza, Brian N.; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-catalyzed coupling of aromatic C-H bonds with malonates.","Organic letters","2015","17","5","1228","1231","10.1021/acs.orglett.5b00193","","","0.71073","MoKα","","0.0837","0.0625","","","0.164","0.182","","","","","","1.029","","","","has coordinates","238129","2020-10-21","18:00:00",""
"1554809","7.9459","0.0004","8.3713","0.0005","15.0845","0.0006","98.477","0.004","91.135","0.004","97.754","0.005","982.54","0.09","293.35","0.1","293.35","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 S2 -","- C19 H18 N O5 S2 -","- C38 H36 N2 O10 S4 -","2","1","","Deng, Zhimin; Wei, Jialiang; Liao, Lihao; Huang, Haiyan; Zhao, Xiaodan","Organoselenium-catalyzed, hydroxy-controlled regio- and stereoselective amination of terminal alkenes: efficient synthesis of 3-amino allylic alcohols.","Organic letters","2015","17","8","1834","1837","10.1021/acs.orglett.5b00213","","","0.71073","MoKα","","0.0703","0.056","","","0.1359","0.1442","","","","","","1.071","","","","has coordinates,has disorder","238131","2020-10-21","18:00:00",""
"1554810","14.8194","0.0008","23.1341","0.0013","17.3079","0.001","90","","104.994","0.002","90","","5731.7","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C288 H264 O36 -","12","3","","Gelat, Fabien; Richard, Vincent; Berger, Olivier; Montchamp, Jean-Luc","Development of a new family of chiral auxiliaries.","Organic letters","2015","17","8","1819","1821","10.1021/acs.orglett.5b00278","","","0.71073","","","0.0767","0.0598","","","0.1421","0.1543","","","","","","1.083","","","","has coordinates","238132","2020-10-21","18:00:00",""
"1554813","8.6811","0.0005","13.1015","0.0008","15.2298","0.0009","66.74","0.006","82.416","0.005","77.876","0.005","1553.57","0.18","171.6","","171.6","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O -","- C17 H16 Cl N3 O -","- C68 H64 Cl4 N12 O4 -","4","2","","Guo, Xiao; Chen, Wenteng; Chen, Binhui; Huang, Wei; Qi, Weixing; Zhang, Guolin; Yu, Yongping","One-pot three-component strategy for functionalized 2-aminoimidazoles via ring opening of α-nitro epoxides.","Organic letters","2015","17","5","1157","1159","10.1021/acs.orglett.5b00289","","","0.71073","MoKα","","0.0699","0.0475","","","0.1077","0.124","","","","","","1.037","","","","has coordinates","238134","2020-10-21","18:00:00",""
"1554814","9.4387","0.001","22.551","0.002","28.131","0.004","90","","90","","90","","5987.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N O6 S -","- C34 H35 N O6 S -","- C272 H280 N8 O48 S8 -","8","2","","Peng, Peng; Geng, Yiqun; Göttker-Schnetmann, Inigo; Schmidt, Richard R.","2-Nitro-thioglycosides: α- and β-selective generation and their potential as β-selective glycosyl donors.","Organic letters","2015","17","6","1421","1424","10.1021/acs.orglett.5b00295","","","0.71073","MoKα","","0.087","0.0428","","","0.0557","0.0645","","","","","","0.751","","","","has coordinates,has disorder","238136","2020-10-21","18:00:00",""
"1554815","9.9286","0.0007","17.0093","0.0013","10.0841","0.0008","90","","90.259","0.004","90","","1703","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F2 N O -","- C19 H21 F2 N O -","- C76 H84 F8 N4 O4 -","4","1","","He, Zhengbiao; Tan, Ping; Ni, Chuanfa; Hu, Jinbo","Fluoroalkylative aryl migration of conjugated N-arylsulfonylated amides using easily accessible sodium di- and monofluoroalkanesulfinates.","Organic letters","2015","17","8","1838","1841","10.1021/acs.orglett.5b00308","","","1.54178","CuKα","","0.0581","0.0534","","","0.1608","0.1673","","","","","","1.015","","","","has coordinates","238137","2020-10-21","18:00:00",""
"1554822","6.4176","0.0003","20.0965","0.001","9.335","0.0005","90","","98.274","0.005","90","","1191.42","0.1","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Yang, Fangfang; Wu, Yangjie","Base-promoted cross-dehydrogenative coupling of quinoline N-oxides with 1,3-azoles.","Organic letters","2015","17","6","1445","1448","10.1021/acs.orglett.5b00330","","","0.71073","MoKα","","0.0788","0.0487","","","0.1001","0.117","","","","","","1.049","","","","has coordinates","238139","2020-10-21","18:00:00",""
"1554824","9.0391","0.0003","9.7069","0.0003","17.2285","0.0005","90","","102.573","0.002","90","","1475.41","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O5 -","- C20 H14 O5 -","- C80 H56 O20 -","4","1","","Tian, Yuan; Jiang, Nan; Zhang, Ai Hua; Chen, Chao Jun; Deng, Xin Zhao; Zhang, Wen Jing; Tan, Ren Xiang","Muta-mycosynthesis of naphthalene analogs.","Organic letters","2015","17","6","1457","1460","10.1021/acs.orglett.5b00335","","","1.54178","CuKα","","0.0408","0.0379","","","0.1013","0.1042","","","","","","1.033","","","","has coordinates","238141","2020-10-21","18:00:00",""
"1554830","8.128","0.001","15.344","0.003","16.979","0.002","90","","102.44","0.01","90","","2067.8","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(1-(mesitylimino)-2,2-dimethylpropyl)pyridin-1-ium triflate","","- C20 H25 F3 N2 O3 S -","- C20 H25 F3 N2 O3 S -","- C80 H100 F12 N8 O12 S4 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0583","0.0445","","","0.1067","0.1152","","","","","","1.077","","","","has coordinates,has disorder","238143","2020-10-21","18:00:00",""
"1554831","15.441","0.002","10.924","0.001","27.769","0.006","90","","90.9","0.02","90","","4683.4","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Z)-4-(dimethylamino)-1-(1-(mesitylamino)-2,2-dimethylpropyl)pyridin-1-ium trifluoromethanesulfonate","","- C22 H30 F3 N3 O3 S -","- C22 H30 F3 N3 O3 S -","- C176 H240 F24 N24 O24 S8 -","8","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0994","0.0754","","","0.1711","0.1826","","","","","","1.138","","","","has coordinates","238143","2020-10-21","18:00:00",""
"1554832","8.4815","0.0002","11.074","0.0003","21.3223","0.0006","90","","93.426","0.001","90","","1999.1","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)-1-((isopropylimino)(phenyl)methyl)pyridin- 1-ium trifluoromethanesulfonate","","- C18 H22 F3 N3 O3 S -","- C18 H22 F3 N3 O3 S -","- C72 H88 F12 N12 O12 S4 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0388","0.033","","","0.0842","0.0881","","","","","","1.026","","","","has coordinates","238143","2020-10-21","18:00:00",""
"1554833","8.61","0.001","9.179","0.001","11.835","0.001","93.38","0.01","95.73","0.01","105.2","0.01","894.57","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","(Z)-N-(1-(1H-benzo[d]imidazol-1-yl)-2,2-dimethylpropylidene)aniline","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.1082","0.0878","","","0.2187","0.237","","","","","","1.037","","","","has coordinates","238143","2020-10-21","18:00:00",""
"1554834","8.693","0.001","17.464","0.002","11.525","0.001","90","","103.69","0.01","90","","1700","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-N-mesityl-N'-phenylpivalimidamide","","- C20 H26 N2 -","- C20 H26 N2 -","- C80 H104 N8 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0515","0.0402","","","0.1012","0.1109","","","","","","1.054","","","","has coordinates","238143","2020-10-21","18:00:00",""
"1554835","26.3163","0.0012","26.3163","0.0012","10.403","0.0005","90","","90","","120","","6239.3","0.5","123","2","123","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","(Z)-N'-mesitylpivalimidamide","","- C14 H22 N2 -","- C14 H22 N2 -","- C252 H396 N36 -","18","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.069","0.0638","","","0.1563","0.1614","","","","","","1.035","","","","has coordinates,has disorder","238143","2020-10-21","18:00:00",""
"1554837","12.2787","0.0002","24.2002","0.0004","15.5541","0.0011","90","","101.818","0.007","90","","4523.9","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B F20 N O2 Rh -","- C49 H29 B F20 N O2 Rh -","- C196 H116 B4 F80 N4 O8 Rh4 -","4","1","","Otley, Kate D.; Ellman, Jonathan A.","An efficient method for the preparation of styrene derivatives via Rh(III)-catalyzed direct C-H vinylation.","Organic letters","2015","17","5","1332","1335","10.1021/acs.orglett.5b00340","","","0.71075","MoKα","","0.0463","0.036","","","0.0742","0.078","","","","","","1.031","","","","has coordinates","238145","2020-10-21","18:00:00",""
"1554838","14.026","0.0015","8.7035","0.0009","12.0599","0.0012","90","","104.008","0.002","90","","1428.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Liu, Rui; Lu, Ze-Hai; Hu, Xiao-Hui; Li, Jun-Li; Yang, Xian-Jin","Monocarboxylation and intramolecular coupling of butenylated arenes via palladium-catalyzed C-H activation process.","Organic letters","2015","17","6","1489","1492","10.1021/acs.orglett.5b00376","","","0.71073","MoKα","","0.0777","0.05","","","0.133","0.1469","","","","","","1.065","","","","has coordinates","238146","2020-10-21","18:00:00",""
"1554839","6.9078","0.0004","10.3981","0.0006","10.0732","0.0006","90","","95.471","0.0017","90","","720.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C34 H32 O4 Se2 -","2","1","","Niu, Wenxue; Yeung, Ying-Yeung","Catalytic and highly enantioselective selenolactonization.","Organic letters","2015","17","7","1660","1663","10.1021/acs.orglett.5b00377","","","0.71073","MoKα","","0.0141","0.0139","","","0.0372","0.0373","","","","","","1.07","","","","has coordinates","238147","2020-10-21","18:00:00",""
"1554840","13.594","0.0003","13.594","0.0003","5.7493","0.0004","90","","90","","120","","920.11","0.07","85","2","85","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C36 H60 O12 -","3","1","","Wang, Hengbin; Negretti, Solymar; Knauff, Allison R.; Montgomery, John","Exo-selective reductive macrocyclization of ynals.","Organic letters","2015","17","6","1493","1496","10.1021/acs.orglett.5b00381","","","1.54178","CuKα","","0.0269","0.0265","","","0.0645","0.0648","","","","","","1.084","","","","has coordinates","238148","2020-10-21","18:00:00",""
"1554841","9.2455","0.0012","10.1411","0.0013","14.412","0.0018","90","","90","","90","","1351.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Gu, Xiaodong; Dai, Yuanyuan; Guo, Tingting; Franchino, Allegra; Dixon, Darren J.; Ye, Jinxing","A general, scalable, organocatalytic nitro-Michael addition to enones: enantioselective access to all-carbon quaternary stereocenters.","Organic letters","2015","17","6","1505","1508","10.1021/acs.orglett.5b00387","","","0.71073","MoKα","","0.0414","0.0334","","","0.0811","0.0843","","","","","","1.006","","","","has coordinates","238149","2020-10-21","18:00:00",""
"1554842","15.7629","0.0008","11.6907","0.0005","10.7408","0.0007","90","","100.958","0.005","90","","1943.22","0.18","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O2 S -","- C22 H18 F N3 O2 S -","- C88 H72 F4 N12 O8 S4 -","4","1","","Senadi, Gopal Chandru; Hu, Wan-Ping; Lu, Ting-Yi; Garkhedkar, Amol Milind; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng","I₂-TBHP-catalyzed oxidative cross-coupling of N-sulfonyl hydrazones and isocyanides to 5-aminopyrazoles.","Organic letters","2015","17","6","1521","1524","10.1021/acs.orglett.5b00398","","x-ray","0.71073","MoKα","","0.0797","0.0536","","","0.1244","0.1418","","","","","","1.019","","","","has coordinates","238150","2020-10-21","18:00:00",""
"1554855","10.0095","0.0004","11.563","0.0004","16.5773","0.0006","90","","99.859","0.004","90","","1890.32","0.12","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O2 S2 -","- C18 H21 N3 O2 S2 -","- C72 H84 N12 O8 S8 -","4","1","","Senadi, Gopal Chandru; Hu, Wan-Ping; Lu, Ting-Yi; Garkhedkar, Amol Milind; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng","I₂-TBHP-catalyzed oxidative cross-coupling of N-sulfonyl hydrazones and isocyanides to 5-aminopyrazoles.","Organic letters","2015","17","6","1521","1524","10.1021/acs.orglett.5b00398","","x-ray","0.71073","MoKα","","0.094","0.0627","","","0.166","0.1923","","","","","","1.029","","","","has coordinates","238152","2020-10-21","18:00:00",""
"1554856","18.687","0.007","6.709","0.002","37.603","0.013","90","","90.534","0.004","90","","4714","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N2 O8 Si -","- C20 H26 N2 O8 Si -","- C160 H208 N16 O64 Si8 -","8","1","","Yin, Zhiping; Liu, Zengjin; Huang, Zhenggang; Chu, Yang; Chu, Zhiwen; Hu, Jia; Gao, Lu; Song, Zhenlei","Synthesis of functionalized γ-lactone via Sakurai exo-cyclization/rearrangement of 3,3-bis(silyl) enol ester with a tethered acetal.","Organic letters","2015","17","6","1553","1556","10.1021/acs.orglett.5b00437","","","0.71073","MoKα","","0.1503","0.0814","","","0.2045","0.2506","","","","","","1.019","","","","has coordinates,has disorder","238153","2020-10-21","18:00:00",""
"1554858","14.2686","0.0006","14.6629","0.0006","17.0163","0.0007","80.443","0.001","70.781","0.001","82.037","0.001","3301.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H85 I3 N10 O12 -","- C60 H85 I3 N10 O12 -","- C120 H170 I6 N20 O24 -","2","1","","Saha, Subrata; Santra, Saikat; Ghosh, Pradyut","[2]Pseudorotaxane composed of heteroditopic macrobicycle and pyridine N-oxide based axle: recognition site dependent axle orientation.","Organic letters","2015","17","8","1854","1857","10.1021/acs.orglett.5b00470","","","0.71073","MoKα","","0.0348","0.0311","","","0.0924","0.1039","","","","","","1.037","","","","has coordinates","238155","2020-10-21","18:00:00",""
"1554860","22.9779","0.0017","30.564","0.002","22.926","0.002","90","","114.207","0.0019","90","","14685.1","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cl6 N10 O10 -","- C60 H78 Cl6 N10 O10 -","- C480 H624 Cl48 N80 O80 -","8","1","","Saha, Subrata; Santra, Saikat; Ghosh, Pradyut","[2]Pseudorotaxane composed of heteroditopic macrobicycle and pyridine N-oxide based axle: recognition site dependent axle orientation.","Organic letters","2015","17","8","1854","1857","10.1021/acs.orglett.5b00470","","","0.71073","MoKα","","0.189","0.1709","","","0.4969","0.5109","","","","","","2.263","","","","has coordinates,has disorder","238157","2020-10-21","18:00:00",""
"1554862","8.5362","0.0003","11.0883","0.0005","14.8339","0.001","89.337","0.006","75.808","0.005","89.011","0.006","1360.96","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 F3 N2 O8 -","- C27 H27 F3 N2 O8 -","- C54 H54 F6 N4 O16 -","2","1","","Huang, Lin; Zheng, Sheng-Cai; Tan, Bin; Liu, Xin-Yuan","Metal-free direct 1,6- and 1,2-difunctionalization triggered by radical trifluoromethylation of alkenes.","Organic letters","2015","17","6","1589","1592","10.1021/acs.orglett.5b00479","","","1.54178","CuKα","","0.1057","0.0873","","","0.2181","0.2574","","","","","","1.457","","","","has coordinates","238159","2020-10-21","18:00:00",""
"1554864","8.6933","0.0005","19.9383","0.0012","7.6281","0.0004","90","","90","","90","","1322.18","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O7 -","- C14 H11 N O7 -","- C56 H44 N4 O28 -","4","1","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Substituted quinoline quinones as surrogates for the PQQ cofactor: an electrochemical and computational study.","Organic letters","2015","17","8","1850","1853","10.1021/acs.orglett.5b00486","","","0.71073","MoKα","","0.0229","0.0222","","","0.0602","0.0607","","","","","","1.039","","","","has coordinates","238161","2020-10-21","18:00:00",""
"1554867","9.8067","0.0014","9.9678","0.0014","11.8916","0.0017","90","","104.237","0.007","90","","1126.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N O4 S -","- C23 H26 Br N O4 S -","- C46 H52 Br2 N2 O8 S2 -","2","1","","Serpier, Fabien; Flamme, Benjamin; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Chiral pyrrolidines and piperidines from enantioselective rhodium-catalyzed cascade arylative cyclization.","Organic letters","2015","17","7","1720","1723","10.1021/acs.orglett.5b00493","","","0.71073","MoKα","","0.0256","0.0234","","","0.0609","0.062","","","","","","1.019","","","","has coordinates","238163","2020-10-21","18:00:00",""
"1554869","10.443","0.0011","11.228","0.0011","11.795","0.0011","70.186","0.002","87.728","0.002","65.484","0.002","1175.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 N O3 S2 -","- C28 H19 N O3 S2 -","- C56 H38 N2 O6 S4 -","2","1","","Ming, Wenbo; Liu, Xiaocui; Wang, Lianjie; Liu, Jun; Wang, Mang","Tandem Thien- and benzannulations of α-alkenoyl-α-alkynyl ketene dithioacetals with cyanoacetates: synthesis of functionalized benzo[b]thiophenes.","Organic letters","2015","17","7","1746","1749","10.1021/acs.orglett.5b00523","","","0.71069","MoKα","","0.1137","0.0537","","","0.1078","0.1355","","","","","","1.006","","","","has coordinates","238165","2020-10-21","18:00:00",""
"1554871","5.1627","0.0004","14.8595","0.0012","17.7219","0.0014","90","","96.198","0.001","90","","1351.59","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Borrero, Nicholas V.; DeRatt, Lindsey G.; Ferreira Barbosa, Lais; Abboud, Khalil A.; Aponick, Aaron","Tandem gold-catalyzed dehydrative cyclization/diels-alder reactions: facile access to indolocarbazole alkaloids.","Organic letters","2015","17","7","1754","1757","10.1021/acs.orglett.5b00528","","","0.71073","MoKα","","0.042","0.0381","","","0.1042","0.1072","","","","","","1.076","","","","has coordinates","238167","2020-10-21","18:00:00",""
"1554873","5.9724","0.0004","14.8969","0.001","16.4863","0.0011","90","","90","","90","","1466.79","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Diastereoselective synthesis of γ-lactones through reaction of enediolates with α,β-unsaturated sulfoxonium salts.","Organic letters","2015","17","7","1735","1737","10.1021/acs.orglett.5b00545","","","1.54178","CuKα","","0.0441","0.0392","","","0.0962","0.1003","","","","","","1.051","","","","has coordinates","238169","2020-10-21","18:00:00",""
"1554875","6.0066","0.0008","11.7969","0.0015","16.772","0.002","90","","97.594","0.003","90","","1178","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Che, Chao; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed trans-carbohalogenation of terminal alkynes with functionalized tertiary alkyl halides.","Organic letters","2015","17","6","1617","1620","10.1021/acs.orglett.5b00546","","","0.71073","MoKα","","0.0433","0.0332","","","0.0804","0.0846","","","","","","1.038","","","","has coordinates","238171","2020-10-21","18:00:00",""
"1554877","10.4176","0.0004","11.9596","0.0004","16.0413","0.0006","90","","114.231","0.002","90","","1822.51","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","","Che, Chao; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed trans-carbohalogenation of terminal alkynes with functionalized tertiary alkyl halides.","Organic letters","2015","17","6","1617","1620","10.1021/acs.orglett.5b00546","","","0.71073","MoKα","","0.2233","0.1153","","","0.2096","0.24","","","","","","1.295","","","","has coordinates","288245","2023-12-12","10:28:21",""
"1554878","8.527","0.0004","16.7982","0.0007","9.3056","0.0004","90","","102.717","0.003","90","","1300.22","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","JSGP952CRIS","((1S,5S,6Z,8Z)-cyclonona-6,8-diene-1,5-diyl)bis(methylene) bis(((S)-1-phenylethyl)carbamate)","","- C29 H36 N2 O4 -","- C29 H36 N2 O4 -","- C58 H72 N4 O8 -","2","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0594","0.042","","","0.0901","0.0972","","","","","","1.061","","","","has coordinates","238174","2020-10-21","18:00:00",""
"1554880","14.0887","0.0005","10.5929","0.0004","9.0247","0.0003","90","","114.771","0.002","90","","1222.92","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","JSGP1059","trans-(6Z,8Z)-1,5-Dimethylcyclonona-6,8-diene-1,5-diyl)dimethanol","","- C13 H22 O2 -","- C13 H22 O2 -","- C52 H88 O8 -","4","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0604","0.0455","","","0.0925","0.099","","","","","","0.995","","","","has coordinates","238176","2020-10-21","18:00:00",""
"1554885","5.0746","0.0009","14.828","0.003","16.699","0.003","65.191","0.003","89.579","0.004","80.838","0.003","1123.5","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C20 H20 Br2 Cl2 N2 O4 -","- C20 H20 Br2 Cl2 N2 O4 -","- C40 H40 Br4 Cl4 N4 O8 -","2","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","","0.1174","0.0611","","","0.1252","0.1461","","","","","","0.988","","","","has coordinates","238178","2020-10-21","18:00:00",""
"1554887","4.8035","0.0006","8.2644","0.001","18.363","0.002","90","","94.441","0.003","90","","726.79","0.15","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","ca180213","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0354","0.0267","","","0.0424","0.044","","","","","","0.948","","","","has coordinates","238180","2020-10-21","18:00:00",""
"1554890","10.669","0.003","4.7706","0.0014","15.964","0.005","90","","107.952","0.004","90","","773","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(2R,4R,5R)-2,5-dichlorohexane-1,3-diyl bis((4-bromophenyl)carbamate)","","- C13 H16 Br Cl2 N O3 -","- C13 H16 Br Cl2 N O3 -","- C26 H32 Br2 Cl4 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0266","0.0214","","","0.039","0.0399","","","","","","0.899","","","","has coordinates","238182","2020-10-21","18:00:00",""
"1554894","4.9886","0.0007","19.578","0.003","9.0155","0.0013","90","","92.03","0.003","90","","880","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R)-2,5-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0203","0.019","","","0.0479","0.0484","","","","","","1.071","","","","has coordinates","238184","2020-10-21","18:00:00",""
"1554896","12.2792","0.0011","4.9357","0.0003","13.4763","0.0012","90","","115.38","0.002","90","","737.92","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","((2S,3S)-3-((R)-1-chloropropyl)oxiran-2-yl)methyl (4-bromophenyl)carbamate","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0486","","","0.0994","0.1074","","","","","","1.062","","","","has coordinates","238186","2020-10-21","18:00:00",""
"1554898","16.929","0.008","4.841","0.002","36.446","0.016","90","","101.211","0.009","90","","2930","2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C104 H120 Br8 Cl8 N8 O24 -","8","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.144","0.0989","","","0.2008","0.2163","","","","","","1.098","","","","has coordinates","238188","2020-10-21","18:00:00",""
"1554900","6.1403","0.001","13.657","0.003","20.719","0.004","90","","90","","90","","1737.5","0.6","100","2","100.04","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,3R,5R)-ethyl 5-chloro-3-hydroxy-2-(((4-nitrophenyl)sulfonyl)oxy)hexanoate","","- C14 H18 Cl N O8 S -","- C14 H18 Cl N O8 S -","- C56 H72 Cl4 N4 O32 S4 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0649","0.0403","","","0.0738","0.0828","","","","","","1.022","","","","has coordinates","238191","2020-10-21","18:00:00",""
"1554902","5.8932","0.0006","9.8358","0.001","14.7998","0.0015","90","","90","","90","","857.86","0.15","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R)-2,4-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0179","0.0172","","","0.0441","0.0445","","","","","","1.1","","","","has coordinates","238193","2020-10-21","18:00:00",""
"1554904","17.283","0.002","5.72","0.0004","16.0086","0.0018","90","","115.367","0.008","90","","1430","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Bunescu, Ala; Wang, Qian; Zhu, Jieping","Synthesis of functionalized epoxides by copper-catalyzed alkylative epoxidation of allylic alcohols with alkyl nitriles.","Organic letters","2015","17","8","1890","1893","10.1021/acs.orglett.5b00571","","","0.71073","MoKα","","0.0871","0.0545","","","0.1082","0.1246","","","","","","1.082","","","","has coordinates","238195","2020-10-21","18:00:00",""
"1554907","8.2684","0.0004","13.1049","0.0005","14.9823","0.0006","90","","98.209","0.004","90","","1606.8","0.12","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N2 O10 Pd3 -","- C28 H36 N2 O10 Pd3 -","- C56 H72 N4 O20 Pd6 -","2","0.5","","Guo, Kun; Chen, Xiaolan; Guan, Mingyu; Zhao, Yingsheng","Direct ortho-C-H functionalization of aromatic alcohols masked by acetone oxime ether via exo-palladacycle.","Organic letters","2015","17","7","1802","1805","10.1021/acs.orglett.5b00594","","","0.71073","MoKα","","0.0367","0.0288","","","0.0694","0.0733","","","","","","1.085","","","","has coordinates","238197","2020-10-21","18:00:00",""
"1554909","9.82013","0.00019","15.1033","0.0003","12.9881","0.0002","90","","93.8267","0.0017","90","","1922.05","0.06","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N O2 -","- C21 H24 B N O2 -","- C84 H96 B4 N4 O8 -","4","1","","Pareek, Manish; Fallon, Thomas; Oestreich, Martin","Platinum(0)-Catalyzed Indolyne Insertion into Bis(pinacolato)diboron Followed by Site-Selective Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","9","2082","2085","10.1021/acs.orglett.5b00604","","x-ray","1.54184","CuKα","","0.0464","0.0402","","","0.0988","0.104","","","","","","1.03","","","","has coordinates","238199","2020-10-21","18:00:00",""
"1554912","9.9728","0.0013","10.8425","0.0014","25.575","0.003","90","","90","","90","","2765.4","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B2 F8 N5 O -","- C20 H41 B2 F8 N5 O -","- C80 H164 B8 F32 N20 O4 -","4","1","","Mirabdolbaghi, Roya; Dudding, Travis","Expanding the forefront of strong organic Brønsted acids: proton-catalyzed hydroamination of unactivated alkenes and activation of Au(I) for alkyne hydroamination.","Organic letters","2015","17","8","1930","1933","10.1021/acs.orglett.5b00617","","","0.71073","MoKα","","0.0584","0.0481","","","0.1346","0.1405","","","","","","1.071","","","","has coordinates","238202","2020-10-21","18:00:00",""
"1554914","7.9555","0.0007","12.7291","0.0011","14.1773","0.0012","101.894","0.002","105.578","0.002","101.34","0.002","1304","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 F3 N3 O4 -","- C25 H36 F3 N3 O4 -","- C50 H72 F6 N6 O8 -","2","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.0713","0.0557","","","0.1451","0.1567","","","","","","1.035","","","","has coordinates,has disorder","238204","2020-10-21","18:00:00",""
"1554915","9.676","0.002","6.0187","0.0014","35.338","0.008","90","","90.313","0.003","90","","2057.9","0.8","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 F3 N2 O3 -","- C20 H27 F3 N2 O3 -","- C80 H108 F12 N8 O12 -","4","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.102","0.061","","","0.1201","0.1345","","","","","","1.059","","","","has coordinates,has disorder","238205","2020-10-21","18:00:00",""
"1554916","8.4082","0.0007","8.9935","0.0007","12.6932","0.001","109.241","0.002","90.111","0.002","102.16","0.002","883.25","0.12","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F3 N2 O3 -","- C18 H23 F3 N2 O3 -","- C36 H46 F6 N4 O6 -","2","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.0574","0.0392","","","0.0873","0.0978","","","","","","1.016","","","","has coordinates,has disorder","238206","2020-10-21","18:00:00",""
"1554917","5.8836","0.0004","19.2027","0.0012","26.5181","0.0016","90","","90","","90","","2996","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O -","- C18 H16 F3 N O -","- C144 H128 F24 N8 O8 -","8","2","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","1.54178","CuKα","","0.0467","0.0355","","","0.0773","0.0821","","","","","","1.014","","","","has coordinates","238207","2020-10-21","18:00:00",""
"1554920","13.529","0.0011","16.7566","0.0013","8.6938","0.0007","90","","116.175","0.001","90","","1768.8","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Lee, Dong Jin; Yoo, Eun Jeong","Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.","Organic letters","2015","17","8","1830","1833","10.1021/acs.orglett.5b00625","","","0.71073","MoKα","","0.0773","0.045","","","0.0859","0.1431","","","","","","1.28","","","","has coordinates","238209","2020-10-21","18:00:00",""
"1554921","12.5268","0.001","10.8502","0.0008","16.3904","0.0013","90","","103.482","0.002","90","","2166.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Lee, Dong Jin; Yoo, Eun Jeong","Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.","Organic letters","2015","17","8","1830","1833","10.1021/acs.orglett.5b00625","","","0.71073","MoKα","","0.1661","0.0968","","","0.2808","0.3388","","","","","","1.089","","","","has coordinates","238210","2020-10-21","18:00:00",""
"1554924","6.42","0.0003","8.0707","0.0003","40.1927","0.0015","90","","90","","90","","2082.54","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N2 O5 Si -","- C19 H29 F N2 O5 Si -","- C76 H116 F4 N8 O20 Si4 -","4","1","","Istrate, Alena; Medvecky, Michal; Leumann, Christian J.","2'-Fluorination of tricyclo-DNA controls furanose conformation and increases RNA affinity.","Organic letters","2015","17","8","1950","1953","10.1021/acs.orglett.5b00662","","x-ray","0.71073","MoKα","","0.0472","0.0432","","","0.0973","0.0995","","","","","","1.1","","","","has coordinates","238212","2020-10-21","18:00:00",""
"1554926","7.5248","0.0006","11.7969","0.0011","18.7512","0.0017","90","","98.035","0.002","90","","1648.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Dhanasekaran, Sivasankaran; Singh, Vinod K.","An Efficient Entry to syn- and anti-Selective Isoindolinones via an Organocatalytic Direct Mannich/Lactamization Sequence.","Organic letters","2015","17","9","2102","2105","10.1021/acs.orglett.5b00676","","","0.71073","MoKα","","0.0694","0.0382","","","0.0763","0.0858","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1554930","5.36225","0.00005","12.0412","0.0001","27.5363","0.0003","90","","90","","90","","1777.96","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 S3 -","- C16 H25 N O2 S3 -","- C64 H100 N4 O8 S12 -","4","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0242","0.0226","","","0.0567","0.0576","","","","","","1.063","","","","has coordinates","238216","2020-10-21","18:00:00",""
"1554932","11.7646","0.0004","15.4251","0.0003","12.0356","0.0004","90","","118.452","0.004","90","","1920.3","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl F3 N O S -","- C18 H19 Cl F3 N O S -","- C72 H76 Cl4 F12 N4 O4 S4 -","4","2","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0356","0.0325","","","0.0677","0.0705","","","","","","1.039","","","","has coordinates","238218","2020-10-21","18:00:00",""
"1554934","5.84461","0.00004","11.3132","0.00006","13.829","0.00008","90","","95.4227","0.0006","90","","910.298","0.01","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Fe N O2 S -","- C19 H23 Fe N O2 S -","- C38 H46 Fe2 N2 O4 S2 -","2","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","1.54184","CuKα","","0.0205","0.0199","","","0.0497","0.0499","","","","","","1.046","","","","has coordinates","238220","2020-10-21","18:00:00",""
"1554935","9.353","0.004","7.448","0.003","12.251","0.005","90","","93.725","0.008","90","","851.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C46 H34 Cl2 O4 -","2","0.5","","Liu, Yang; Jin, Shiyu; Huang, Liping; Hu, Youhong","Phase transfer reagent promoted tandem ring-opening and ring-closing reactions of unique 3-(1-alkynyl) chromones.","Organic letters","2015","17","9","2134","2137","10.1021/acs.orglett.5b00721","","","0.71073","MoKα","","0.0579","0.0483","","","0.1395","0.1509","","","","","","1.044","","","","has coordinates","238221","2020-10-21","18:00:00",""
"1554937","10.8299","0.0004","17.8426","0.0007","16.7462","0.0006","90","","105.418","0.004","90","","3119.5","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H116 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","1","0.5","","Xie, Danbo; Yang, Limin; Lin, Youqiang; Zhang, Zhiming; Chen, Dongdong; Zeng, Xiaofei; Zhong, Guofu","Rapid access to spirocylic oxindoles: application of asymmetric N-heterocyclic carbene-catalyzed [3 + 3] cycloaddition of imines to oxindole-derived enals.","Organic letters","2015","17","10","2318","2321","10.1021/acs.orglett.5b00726","","","0.71073","MoKα","","0.0898","0.071","","","0.1937","0.2096","","","","","","1.057","","","","has coordinates","238223","2020-10-21","18:00:00",""
"1554941","14.7817","0.0005","10.4931","0.0003","20.1054","0.0007","90","","110.04","0.0011","90","","2929.66","0.17","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl N O -","- C39 H30 Cl N O -","- C156 H120 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0729","0.053","","","0.136","0.1495","","","","","","1.079","","","","has coordinates","238226","2020-10-21","18:00:00",""
"1554944","12.0241","0.0005","10.8634","0.0004","15.0306","0.0006","90","","92.829","0.002","90","","1960.94","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl N O -","- C24 H24 Cl N O -","- C96 H96 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0526","0.0372","","","0.1016","0.112","","","","","","1.047","","","","has coordinates","238229","2020-10-21","18:00:00",""
"1554948","16.3879","0.0009","7.0026","0.0004","17.8667","0.001","90","","103.718","0.003","90","","1991.86","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl N O -","- C24 H24 Cl N O -","- C96 H96 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0713","0.044","","","0.1046","0.1102","","","","","","1.703","","","","has coordinates","238232","2020-10-21","18:00:00",""
"1554950","11.705","0.002","28.512","0.006","22.406","0.005","90","","98.94","0.03","90","","7387","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152.5 H199 B4 N7 O23 -","- C152.028 H198.732 B4 N6.676 O22.676 -","- C304.056 H397.464 B8 N13.352 O45.352 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.1905","0.1828","","","0.4757","0.5029","","","","","","2.579","","","","has coordinates","238234","2020-10-21","18:00:00",""
"1554955","13.488","0.003","14.281","0.003","14.287","0.003","90","","108.36","0.03","90","","2611.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 F24 N4 P4 -","- C50 H44 F24 N4 P4 -","- C100 H88 F48 N8 P8 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.7","synchrotron","","0.0765","0.0625","","","0.1881","0.2002","","","","","","1.097","","","","has coordinates,has disorder","238236","2020-10-21","18:00:00",""
"1554956","16.134","0.003","16.609","0.003","16.766","0.003","85.82","0.03","65.15","0.03","75.26","0.03","3939.7","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H168 B4 N14 O31 -","- C186 H168 B4 N14 O31 -","- C186 H168 B4 N14 O31 -","1","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.7","synchrotron","","0.1734","0.0878","","","0.2443","0.2936","","","","","","1.038","","","","has coordinates","238237","2020-10-21","18:00:00",""
"1554959","42.193","0.008","8.356","0.0017","15.63","0.003","90","","90.76","0.03","90","","5510.1","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C117 H171 B4 N4 O20 -","- C117 H171 B4 N4 O20 -","- C234 H342 B8 N8 O40 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.0714","0.0697","","","0.1964","0.1988","","","","","","1.032","","","","has coordinates,has disorder","238239","2020-10-21","18:00:00",""
"1554960","16.67","0.003","17.44","0.004","19.659","0.004","81.21","0.03","74.06","0.03","62.19","0.03","4859","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C180 H112 B4 D84 N4 O34 S14 -","- C179.868 H112 B4 D83.604 N4 O33.934 S13.934 -","- C179.868 H112 B4 D83.604 N4 O33.934 S13.934 -","1","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.2091","0.1643","","","0.4341","0.4745","","","","","","1.787","","","","has coordinates,has disorder","238240","2020-10-21","18:00:00",""
"1554968","11.446","0.002","13.451","0.003","22.036","0.004","98.71","0.03","104.3","0.03","98.36","0.03","3189.9","1.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H56 N8 O8 -","- C70 H56 N8 O8 -","- C140 H112 N16 O16 -","2","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.1175","0.0986","","","0.2998","0.3166","","","","","","1.14","","","","has coordinates","238242","2020-10-21","18:00:00",""
"1554969","16.098","0.003","8.0852","0.0016","19.417","0.004","90","","103.12","0.03","90","","2461.3","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.059","0.0527","","","0.1479","0.1506","","","","","","1.119","","","","has coordinates","238243","2020-10-21","18:00:00",""
"1554971","7.3964","0.0015","23.302","0.005","16.073","0.003","90","","94.05","0.03","90","","2763.3","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N4 O4 -","- C34 H30 N4 O4 -","- C136 H120 N16 O16 -","4","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.0508","0.049","","","0.1373","0.1391","","","","","","1.032","","","","has coordinates","238245","2020-10-21","18:00:00",""
"1554973","37.78","0.008","8.9173","0.0018","26.953","0.005","90","","133.41","0.03","90","","6596","4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Cl6 N8 O12 S -","- C70 H58 Cl6 N8 O12 S -","- C280 H232 Cl24 N32 O48 S4 -","4","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.1583","0.1172","","","0.2834","0.3225","","","","","","1.146","","","","has coordinates,has disorder","238247","2020-10-21","18:00:00",""
"1554978","12.4447","0.0011","15.6502","0.0013","7.9646","0.0007","90","","105.739","0.006","90","","1493","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O4 -","- C16 H10 Br N O4 -","- C64 H40 Br4 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Copper(II)-catalyzed direct dioxygenation of alkenes with air and N-hydroxyphthalimide: synthesis of β-keto-N-alkoxyphthalimides.","Organic letters","2015","17","8","2010","2013","10.1021/acs.orglett.5b00770","","","0.71073","MoKα","","0.1404","0.0738","","","0.1947","0.2308","","","","","","1.052","","","","has coordinates","238249","2020-10-21","18:00:00",""
"1554981","13.0106","0.0005","13.1402","0.0006","14.3888","0.0007","80.344","0.004","63.999","0.004","78.993","0.003","2160.42","0.18","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H120 N14 O26 S8 -","- C70 H120 N14 O26 S8 -","- C70 H120 N14 O26 S8 -","1","0.5","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0605","0.0483","","0.0645","0.055","0.055","","","","","","1.0683","","","","has coordinates","238251","2020-10-21","18:00:00",""
"1554982","13.4741","0.0003","14.6965","0.0003","22.6791","0.0004","90","","92.704","0.0017","90","","4485.96","0.16","175","","175","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 N12 O16 S4 -","- C30 H60 N12 O16 S4 -","- C120 H240 N48 O64 S16 -","4","0.5","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0871","0.0769","","0.0751","0.0684","0.0684","","","","","","1.1565","","","","has coordinates","238252","2020-10-21","18:00:00",""
"1554988","11.2634","0.0018","15.966","0.002","16.009","0.004","111.587","0.016","100.691","0.016","109.004","0.013","2373.6","1","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H69.97 N4 O14 S4 -","- C40 H69.973 N4 O14 S4 -","- C80 H139.946 N8 O28 S8 -","2","1","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0969","0.0729","","0.0545","0.0454","0.0454","","","","","","1.018","","","","has coordinates,has disorder","238254","2020-10-21","18:00:00",""
"1554990","8.1609","0.0013","9.0398","0.0014","19.318","0.003","90","","90","","90","","1425.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O4 S -","- C15 H13 N O4 S -","- C60 H52 N4 O16 S4 -","4","1","","Liu, Yan-Kai; Li, Zhi-Long; Li, Ji-Yao; Feng, Huan-Xi; Tong, Zhi-Ping","Open-close: an alternative strategy to α-functionalization of lactone via enamine catalysis in one pot under mild conditions.","Organic letters","2015","17","8","2022","2025","10.1021/acs.orglett.5b00794","","","0.71073","MoKα","","0.0846","0.0806","","","0.2376","0.2429","","","","","","1.08","","","","has coordinates","238256","2020-10-21","18:00:00",""
"1554994","12.8623","0.0002","11.3355","0.0002","16.9579","0.0003","90","","94.493","0.001","90","","2464.87","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CG0201","","","- C28 H23 N3 O4 S -","- C28 H23 N3 O4 S -","- C112 H92 N12 O16 S4 -","4","1","","Chen, Jing; Li, Jianjun; Wang, Jiazhe; Li, Hao; Wang, Wei; Guo, Yuewei","Phosphine-Catalyzed Aza-MBH Reactions of Vinylpyridines: Efficient and Rapid Access to 2,3,5-Triarylsubstituted 3-Pyrrolines.","Organic letters","2015","17","9","2214","2217","10.1021/acs.orglett.5b00811","","","0.71073","MoKα","","0.0355","0.0306","","","0.0738","0.0771","","","","","","0.998","","","","has coordinates","238258","2020-10-21","18:00:00",""
"1554996","6.0808","0.0001","23.3393","0.0006","12.5225","0.0008","90","","94.028","0.007","90","","1772.82","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Tan, Ceheng; Chen, Wei; Mu, Xinpeng; Chen, Qi; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Synthetic Progress toward Azadirachtins. 2. Enantio- and Diastereoselective Synthesis of the Right-Wing Fragment of 11-epi-Azadirachtin I.","Organic letters","2015","17","10","2338","2341","10.1021/acs.orglett.5b00831","","","1.54187","CuKα","","0.0864","0.0782","","","0.2202","0.2328","","","","","","1.052","","","","has coordinates","238260","2020-10-21","18:00:00",""
"1554998","9.6121","0.0018","11.761","0.002","13.648","0.003","98.331","0.003","109.571","0.003","113.637","0.003","1260.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C52 H62 Br2 N4 O6 -","2","1","","Zeng, Xiao-Hua; Wang, Hong-Mei; Ding, Ming-Wu","Unexpected Synthesis of 5,6-Dihydropyridin-2(1H)-ones by a Domino Ugi/Aldol/Hydrolysis Reaction Starting from Baylis-Hillman Phosphonium Salts.","Organic letters","2015","17","9","2234","2237","10.1021/acs.orglett.5b00849","","","0.71073","MoKα","","0.0635","0.0431","","","0.135","0.1492","","","","","","1.033","","","","has coordinates","238262","2020-10-21","18:00:00",""
"1555000","9.7881","0.0002","13.2333","0.0004","16.5195","0.0011","67.596","0.005","77.669","0.006","72.069","0.005","1870.86","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 B2 F4 N4 O6 -","- C38 H44 B2 F4 N4 O6 -","- C76 H88 B4 F8 N8 O12 -","2","1","","Huaulmé, Quentin; Mirloup, Antoine; Retailleau, Pascal; Ziessel, Raymond","Synthesis of Highly Functionalized BOPHY Chromophores Displaying Large Stokes Shifts.","Organic letters","2015","17","9","2246","2249","10.1021/acs.orglett.5b00858","","","1.54187","CuKα","","0.0875","0.0565","","","0.1427","0.1927","","","","","","1.175","","","","has coordinates,has disorder","238265","2020-10-21","18:00:00",""
"1555003","9.3088","0.0004","9.5092","0.0004","14.5742","0.0007","92.724","0.004","104.673","0.004","110","0.004","1159.92","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F N O2 -","- C27 H30 F N O2 -","- C54 H60 F2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0486","0.0438","","0.1201","0.1143","0.12","","","","","","0.9873","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555004","8.03153","0.00018","10.686","0.0002","28.3689","0.0007","90","","90","","90","","2434.76","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N O2 -","- C28 H32 F N O2 -","- C112 H128 F4 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0328","0.0318","","0.0801","0.0793","0.0801","","","","","","1.0054","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555005","11.32263","0.00012","11.32263","0.00012","35.383","0.0004","90","","90","","120","","3928.44","0.07","150","","150","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H32 N4 O2 -","- C28 H32 N4 O2 -","- C168 H192 N24 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0529","0.0514","","0.1369","0.1355","0.1369","","","","","","0.9984","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555006","9.7073","0.0003","10.168","0.0003","14.0374","0.0004","85.597","0.002","85.998","0.002","82.306","0.002","1366.53","0.07","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C60 H70 N2 O8 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0522","0.0493","","0.1433","0.1377","0.1431","","","","","","0.9127","","","","has coordinates,has disorder","238268","2020-10-21","18:00:00",""
"1555007","10.4764","0.0005","10.6867","0.0005","12.3768","0.0004","85.757","0.003","70.552","0.003","69.477","0.004","1222.26","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0561","0.0557","","0.1558","0.1549","0.1558","","","","","","0.9989","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555008","7.90952","0.00011","16.3522","0.0003","9.53794","0.00013","90","","95.6737","0.0013","90","","1227.58","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0282","0.028","","0.0721","0.0718","0.0721","","","","","","1.011","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555011","8.3956","0.0008","11.6027","0.0011","23.715","0.002","90","","91.1454","0.0011","90","","2309.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","arai20150110","","","- C23 H27 Br N2 O5 -","- C23 H27 Br N2 O5 -","- C92 H108 Br4 N8 O20 -","4","1","","Arai, Takayoshi; Tsuchiya, Kento; Matsumura, Eri","PyBidine-NiCl2-Catalyzed Asymmetric Addition of Alcohols and Peroxides to Isatin-Derived Ketimines.","Organic letters","2015","17","10","2416","2419","10.1021/acs.orglett.5b00928","","","0.71073","MoKα","","0.062","0.0382","","","0.0931","0.1109","","","","","","1.068","","","","has coordinates","238270","2020-10-21","18:00:00",""
"1555012","8.4044","0.0011","11.3774","0.0015","11.5451","0.0015","90","","96.16","0.003","90","","1097.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F3 N2 O S -","- C8 H11 F3 N2 O S -","- C32 H44 F12 N8 O4 S4 -","4","1","","Liang, Zhaoli; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Copper-Catalyzed Intermolecular Trifluoromethylthiocyanation of Alkenes: Convenient Access to CF3-Containing Alkyl Thiocyanates.","Organic letters","2015","17","10","2438","2441","10.1021/acs.orglett.5b00939","","","0.71073","MoKα","","0.0661","0.059","","","0.1531","0.1617","","","","","","1.042","","","","has coordinates","238271","2020-10-21","18:00:00",""
"1555018","10.7975","0.0005","11.121","0.0004","17.986","0.0005","82.945","0.002","76.059","0.003","70.925","0.004","1978.74","0.14","115","1","115","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H112 F14 N4 Sn4 -","- C76 H112 F14 N4 Sn4 -","- C76 H112 F14 N4 Sn4 -","1","0.5","","Hahn, Lena; Wadepohl, Hubert; Gade, Lutz H.","Tetralithiated tetraazaperopyrene as a key intermediate for the synthesis of functionalized derivatives.","Organic letters","2015","17","9","2266","2269","10.1021/acs.orglett.5b00942","","x-ray","1.5418","CuKα","","0.0704","0.0589","","","0.1497","0.1612","","","","","","1.065","","","","has coordinates","238273","2020-10-21","18:00:00",""
"1555019","6.15317","0.00018","9.3804","0.0003","13.8177","0.0004","103.878","0.003","100.265","0.002","98.23","0.003","747.31","0.04","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H4 F26 N4 -","- C32 H4 F26 N4 -","- C32 H4 F26 N4 -","1","0.5","","Hahn, Lena; Wadepohl, Hubert; Gade, Lutz H.","Tetralithiated tetraazaperopyrene as a key intermediate for the synthesis of functionalized derivatives.","Organic letters","2015","17","9","2266","2269","10.1021/acs.orglett.5b00942","","x-ray","1.54184","CuKα","","0.0314","0.029","","","0.0801","0.0819","","","","","","1.033","","","","has coordinates","238273","2020-10-21","18:00:00",""
"1555021","12.91","0.005","9.664","0.005","12.157","0.006","90","","90","","90","","1516.7","1.2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","6-((2-hydroxyphenyl)(phenyl)methyl)cyclohex-2-enone","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.0567","","","","0.1731","","","","","","0.845","","","","has coordinates","238275","2020-10-21","18:00:00",""
"1555022","8.6511","0.0017","11.009","0.002","15.784","0.003","90","","90","","90","","1503.3","0.5","273","","273","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1-(2-hydroxyphenyl)pentyl)cyclohex-2-enone","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.1289","","","","0.4135","","","","","","1.577","","","","has coordinates","238275","2020-10-21","18:00:00",""
"1555026","9.724","0.004","10.178","0.004","10.676","0.004","62.165","0.007","79.328","0.007","69.089","0.007","872.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Capreti, Naylil M. R.; Jurberg, Igor D.","Michael Addition of Soft Carbon Nucleophiles to Alkylidene Isoxazol-5-ones: A Divergent Entry to β-Branched Carbonyl Compounds.","Organic letters","2015","17","10","2490","2493","10.1021/acs.orglett.5b01004","","","0.71073","MoKα","","0.0692","0.041","","","0.0958","0.1082","","","","","","1.008","","","","has coordinates","238277","2020-10-21","18:00:00",""
"1555028","26.4383","0.0016","26.4383","0.0016","8.6956","0.0005","90","","90","","120","","5263.8","0.5","170","2","170","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H13 N O -","- C15 H13 N O -","- C270 H234 N18 O18 -","18","1","","Zhang, Yan; Wang, Dahai; Cui, Sunliang","Facile Synthesis of Isoindolinones via Rh(III)-Catalyzed One-Pot Reaction of Benzamides, Ketones, and Hydrazines.","Organic letters","2015","17","10","2494","2497","10.1021/acs.orglett.5b01016","","","0.71073","MoKα","","0.0492","0.038","","","0.0861","0.0943","","","","","","1.048","","","","has coordinates","238279","2020-10-21","18:00:00",""
"1555031","14.8225","0.0019","11.0736","0.0013","18.657","0.003","90","","100.056","0.006","90","","3015.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N O2 -","- C36 H39 N O2 -","- C144 H156 N4 O8 -","4","1","","Reddy, Virsinha; Vijaya Anand, Ramasamy","Expedient Access to Unsymmetrical Diarylindolylmethanes through Palladium-Catalyzed Domino Electrophilic Cyclization-Extended Conjugate Addition Approach.","Organic letters","2015","17","14","3390","3393","10.1021/acs.orglett.5b01030","","","0.71073","MoKα","","0.2069","0.0971","","","0.1779","0.235","","","","","","1.088","","","","has coordinates","238281","2020-10-21","18:00:00",""
"1555034","15.0789","0.0011","8.6357","0.0007","18.2167","0.0014","90","","106.122","0.001","90","","2278.8","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H27 Fe N O3 S -","- C25 H27 Fe N O3 S -","- C100 H108 Fe4 N4 O12 S4 -","4","2","","Ogasawara, Masamichi; Wada, Shiro; Isshiki, Erika; Kamimura, Takumi; Yanagisawa, Akira; Takahashi, Tamotsu; Yoshida, Kazuhiro","Enantioselective synthesis of planar-chiral ferrocene-fused 4-pyridones and their application in construction of pyridine-based organocatalyst library.","Organic letters","2015","17","9","2286","2289","10.1021/acs.orglett.5b01044","","","0.71073","MoKα","","0.0452","0.0349","","","0.0656","0.0736","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555037","8.9224","0.0002","9.3813","0.0002","18.2533","0.0004","90","","103.064","0.0012","90","","1488.32","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SJY-002","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Son, Jeong-Yu; Kim, Sunghwa; Jeon, Woo Hyung; Lee, Phil Ho","Synthesis of Cinnolin-3(2H)-one Derivatives from Rh-Catalyzed Reaction of Azobenzenes with Diazotized Meldrum's Acid.","Organic letters","2015","17","10","2518","2521","10.1021/acs.orglett.5b01052","","","0.71073","","","0.0899","0.0572","","","0.1118","0.1245","","","","","","1.042","","","","has coordinates","238285","2020-10-21","18:00:00",""
"1555039","10.896","0.004","11.118","0.005","11.442","0.004","109.812","0.005","100.766","0.0013","111.223","0.006","1137.4","0.8","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C52 H56 O10 -","2","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.","Organic letters","2015","17","14","3446","3449","10.1021/acs.orglett.5b01477","","","0.71075","MoKα","","0.1048","0.0663","","","0.1736","0.1906","","","","","","0.856","","","","has coordinates","238287","2020-10-21","18:00:00",""
"1555041","8.428","0.003","11.011","0.003","11.459","0.003","65.415","0.008","87.993","0.015","89.668","0.015","966.4","0.5","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C46 H48 O6 -","2","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.","Organic letters","2015","17","14","3446","3449","10.1021/acs.orglett.5b01477","","","0.71075","MoKα","","0.1148","0.0724","","","0.2165","0.2395","","","","","","1.001","","","","has coordinates","238289","2020-10-21","18:00:00",""
"1555044","22.265","0.003","7.7011","0.001","12.8529","0.0015","90","","102.095","0.003","90","","2154.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0708","0.0584","","","0.153","0.1604","","","","","","1.097","","","","has coordinates","238292","2020-10-21","18:00:00",""
"1555045","12.324","0.001","7.8713","0.0006","10.6532","0.0008","90","","92.217","0.001","90","","1032.65","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0541","0.0451","","","0.1254","0.1336","","","","","","1.058","","","","has coordinates","238293","2020-10-21","18:00:00",""
"1555051","8.9128","0.0003","10.9914","0.0003","20.184","0.0006","91.339","0.001","96.624","0.001","104.357","0.001","1899.99","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 N O7 Si2 -","- C36 H55 N O7 Si2 -","- C72 H110 N2 O14 Si4 -","2","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0401","0.0332","","","0.0911","0.1005","","","","","","1.08","","","","has coordinates","238295","2020-10-21","18:00:00",""
"1555052","7.3936","0.0009","10.5735","0.0012","17.817","0.002","90","","90","","90","","1392.9","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0452","0.04","","","0.0951","0.0993","","","","","","1.084","","","","has coordinates","238296","2020-10-21","18:00:00",""
"1555053","16.4753","0.0003","10.1532","0.0002","13.8282","0.0003","90","","98.669","0.001","90","","2286.71","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 O5 S -","- C21 H38 O5 S -","- C84 H152 O20 S4 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0667","0.0534","","","0.184","0.2002","","","","","","1.073","","","","has coordinates","238297","2020-10-21","18:00:00",""
"1555059","8.5281","0.0002","18.7862","0.0005","9.5185","0.0003","90","","100.368","0.001","90","","1500.07","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0548","0.0389","","","0.0963","0.11","","","","","","1.051","","","","has coordinates","238299","2020-10-21","18:00:00",""
"1555060","6.9082","0.0001","11.2913","0.0002","19.3834","0.0003","90","","91.357","0.001","90","","1511.53","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","2","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","1.54178","CuKα","","0.0501","0.0455","","","0.1313","0.1377","","","","","","1.049","","","","has coordinates","238300","2020-10-21","18:00:00",""
"1555061","10.6177","0.0009","21.038","0.003","26.249","0.002","90","","90","","90","","5863.4","1.1","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 Cl2 N4 O4 -","- C34 H22 Cl2 N4 O4 -","- C272 H176 Cl16 N32 O32 -","8","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.188","0.078","","0.0928","0.0458","0.0458","","","","","","1.0968","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555077","10.6627","0.0003","10.6627","0.0003","29.5381","0.0018","90","","90","","90","","3358.3","0.2","175","","175","","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H22 Cl2 N4 O12 -","- C30 H22 Cl2 N4 O12 -","- C120 H88 Cl8 N16 O48 -","4","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.0899","0.0713","","0.0978","0.0848","0.0848","","","","","","1.1026","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555078","12.1779","0.0011","21.8512","0.0015","21.9539","0.0015","60.52","0.007","87.603","0.006","86.921","0.007","5077.5","0.8","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 I4 O4 -","- C28.6667 H18.6667 I4 O4 -","- C172 H112 I24 O24 -","6","3","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.1383","0.1138","","0.1501","0.1235","0.1235","","","","","","1.1","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555080","13.2235","0.0013","24.195","0.002","10.2868","0.0012","90","","110.556","0.011","90","","3081.6","0.6","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl2 O4 -","- C38 H26 Cl2 O4 -","- C152 H104 Cl8 O16 -","4","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.0867","0.0653","","0.0675","0.0613","0.0613","","","","","","1.1873","","","","has coordinates","238306","2020-10-21","18:00:00",""
"1555083","8.2569","0.0002","11.0688","0.0002","20.1396","0.0004","90","","95.9683","0.0011","90","","1830.66","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150324","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Lee, Joo Hyun; Lee, Sang-gi","Cu(I)/Rh(II)-Catalyzed Tandem Convergent Multicomponent Reaction for the Regio- and Stereocontrolled Synthesis of γ-Oxo-β-amino Esters.","Organic letters","2015","17","14","3498","3501","10.1021/acs.orglett.5b01587","","","0.71073","","","0.0636","0.0461","","","0.1072","0.1168","","","","","","1.037","","","","has coordinates","238308","2020-10-21","18:00:00",""
"1555086","10.98","0.002","21.409","0.004","11.347","0.002","90","","104.07","0.03","90","","2587.3","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C108 H108 N4 O20 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Lee, Joo Hyun; Lee, Sang-gi","Cu(I)/Rh(II)-Catalyzed Tandem Convergent Multicomponent Reaction for the Regio- and Stereocontrolled Synthesis of γ-Oxo-β-amino Esters.","Organic letters","2015","17","14","3498","3501","10.1021/acs.orglett.5b01587","","","0.71073","MoKα","","0.0544","0.0403","","","0.1108","0.1178","","","","","","1.067","","","","has coordinates","238310","2020-10-21","18:00:00",""
"1555089","8.6263","0.0009","12.097","0.002","16.023","0.006","107.86","0.03","95.73","0.03","104.279","0.013","1514.1","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 P2 -","- C38 H34 P2 -","- C76 H68 P4 -","2","1","","Hu, Zhengsong; Li, Zongyang; Zhao, Kang; Tian, Rongqiang; Duan, Zheng; Mathey, François","Reaction of Phospholes with Aldimines: A One-Step Synthesis of Chelating, Alpha-C2-Bridged Biphospholes.","Organic letters","2015","17","14","3518","3520","10.1021/acs.orglett.5b01604","","","1.54184","CuKα","","0.0461","0.0393","","","0.1078","0.1148","","","","","","1.034","","","","has coordinates","238313","2020-10-21","18:00:00",""
"1555090","14.7596","0.0008","10.4392","0.0006","17.7877","0.0005","90","","105.924","0.004","90","","2635.5","0.2","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O P2 -","- C32 H32 O P2 -","- C128 H128 O4 P8 -","4","1","","Hu, Zhengsong; Li, Zongyang; Zhao, Kang; Tian, Rongqiang; Duan, Zheng; Mathey, François","Reaction of Phospholes with Aldimines: A One-Step Synthesis of Chelating, Alpha-C2-Bridged Biphospholes.","Organic letters","2015","17","14","3518","3520","10.1021/acs.orglett.5b01604","","","1.54184","CuKα","","0.0487","0.0409","","","0.1107","0.1173","","","","","","1.049","","","","has coordinates","238314","2020-10-21","18:00:00",""
"1555091","12.58","0.005","15.83","0.005","8.839","0.005","90","0.005","109.551","0.005","90","0.005","1658.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian","Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2015","17","14","3544","3547","10.1021/acs.orglett.5b01630","","","0.71069","MoKα","","0.173","0.0912","","","0.259","0.326","","","","","","0.996","","","","has coordinates","238315","2020-10-21","18:00:00",""
"1555095","17.095","0.003","5.874","0.0012","15.476","0.003","90","","106","0.03","90","","1493.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian","Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2015","17","14","3544","3547","10.1021/acs.orglett.5b01630","","","0.71073","MoKα","","0.0778","0.051","","","0.1258","0.1435","","","","","","1.004","","","","has coordinates","238317","2020-10-21","18:00:00",""
"1555096","8.885","0.0008","11.599","0.001","11.638","0.0011","87.07","0.002","72.279","0.001","76.183","0.002","1109.11","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl I3 N O2 -","- C21 H13 Cl I3 N O2 -","- C42 H26 Cl2 I6 N2 O4 -","2","1","","Zhang, Xue; Feng, Chengjie; Jiang, Tao; Li, Yifei; Pan, Ling; Xu, Xianxiu","Expedient and Divergent Tandem One-Pot Synthesis of Benz[e]indole and Spiro[indene-1,3'-pyrrole] Derivatives from Alkyne-Tethered Chalcones/Cinnamates and TosMIC.","Organic letters","2015","17","14","3576","3579","10.1021/acs.orglett.5b01676","","","0.71069","MoKα","","0.0387","0.0313","","","0.0871","0.0911","","","","","","1.045","","","","has coordinates","238318","2020-10-21","18:00:00",""
"1555100","11.057","0.003","13.631","0.003","13.716","0.003","90","","110.38","0.003","90","","1937.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl I N O2 -","- C21 H15 Cl I N O2 -","- C84 H60 Cl4 I4 N4 O8 -","4","1","","Zhang, Xue; Feng, Chengjie; Jiang, Tao; Li, Yifei; Pan, Ling; Xu, Xianxiu","Expedient and Divergent Tandem One-Pot Synthesis of Benz[e]indole and Spiro[indene-1,3'-pyrrole] Derivatives from Alkyne-Tethered Chalcones/Cinnamates and TosMIC.","Organic letters","2015","17","14","3576","3579","10.1021/acs.orglett.5b01676","","","0.71069","MoKα","","0.0906","0.043","","","0.0857","0.1","","","","","","1","","","","has coordinates","238321","2020-10-21","18:00:00",""
"1555102","9.1622","0.0018","9.508","0.002","10.568","0.002","83","0.016","65.519","0.019","78.417","0.018","820","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O -","- C22 H22 O -","- C44 H44 O2 -","2","1","","Manojveer, Seetharaman; Balamurugan, Rengarajan","In Situ Formed Acetal-Facilitated Synthesis of Substituted Indene Derivatives from o-Alkenylbenzaldehydes.","Organic letters","2015","17","14","3600","3603","10.1021/acs.orglett.5b01695","","","0.71073","MoKα","","0.0795","0.0502","","","0.1132","0.1293","","","","","","1.041","","","","has coordinates","238323","2020-10-21","18:00:00",""
"1555105","10.571","0.006","5.838","0.003","12.338","0.007","90","","90","","90","","761.4","0.7","291","2","291","2","","","","","","","see text","3","P c a 21","P 2c -2ac","29","","(3a<i>R</i>,3b<i>R</i>,6a<i>S</i>,7a<i>R</i>)-hexahydrodifuro[2,3-<i>b</i>:3',2'-<i>d</i>]furan-2(3<i>H</i>)-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0623","0.058","","","0.1408","0.144","","","","","","1.122","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555106","37.2102","0.0015","18.06","0.0005","6.8155","0.0003","90","","90","","90","","4580.1","0.3","291","2","291","2","","","","","","","see text","3","F d d 2","F 2 -2d","43","","(1S,2S,3R,7R,9S,11R,13S,17R)-6,8,10,12,14- pentaoxapentacyclo[9.6.0.0^2,9^.0^3,7^.0^13,17^]heptadecan-5-one","","- C12 H14 O6 -","- C12 H14 O6 -","- C192 H224 O96 -","16","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","1.5418","CuKα","","0.0414","0.0391","","","0.1012","0.1035","","","","","","1.06","","","","has coordinates,has disorder","238325","2020-10-21","18:00:00",""
"1555107","8.8394","0.001","8.5924","0.001","23.437","0.003","90","","90","","90","","1780.1","0.4","291","2","291","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(1R*,5S*,8S*)-4,6-Dioxatricyclo[6.4.0.0^1,5^]dodec-10-en-7-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0796","0.0696","","","0.1582","0.1644","","","","","","1.22","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555108","6.345","0.001","8.9881","0.0015","15.108","0.003","90","","90","","90","","861.6","0.3","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,6R,8S)-5,7,9-trioxatricyclo[6.4.0.0^2,6^]dodecan-4-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0357","0.0346","","","0.0865","0.0875","","","","","","1.082","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555109","5.3883","0.0011","12.812","0.002","6.0438","0.0013","90","","114.32","0.03","90","","380.21","0.16","291","2","291","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","","(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.7107","MoKα","","0.0459","0.043","","","0.1133","0.1164","","","","","","1.051","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555112","7.4987","0.0002","12.2482","0.0003","16.8063","0.0003","90","","90","","90","","1543.58","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arboridinine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor.","Organic letters","2015","17","14","3628","3631","10.1021/acs.orglett.5b01757","","","0.71073","MoKα","","0.033","0.0314","","","0.0864","0.088","","","","","","1.09","","","","has coordinates","238327","2020-10-21","18:00:00",""
"1555114","8.6291","0.0003","9.4332","0.0003","12.4474","0.0004","82.659","0.003","70.506","0.003","68.236","0.003","887.04","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H23 N O5 S -","- C18 H23 N O5 S -","- C36 H46 N2 O10 S2 -","2","2","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0445","0.0436","","","0.1158","0.1167","","","","","","1.08","","","","has coordinates","238329","2020-10-21","18:00:00",""
"1555119","6.70613","0.00009","8.92562","0.00011","21.9646","0.0003","90","","91.7362","0.0013","90","","1314.12","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 F N2 O4 S -","- C12 H15 F N2 O4 S -","- C48 H60 F4 N8 O16 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0417","0.0402","","","0.1091","0.1104","","","","","","1.112","","","","has coordinates,has disorder","238331","2020-10-21","18:00:00",""
"1555122","15.2033","0.0005","5.10542","0.00013","15.6074","0.0006","90","","108.006","0.004","90","","1152.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0413","0.0372","","","0.1042","0.1081","","","","","","1.052","","","","has coordinates","238333","2020-10-21","18:00:00",""
"1555124","8.236","0.0002","21.1919","0.0005","8.4904","0.0002","90","","103.856","0.003","90","","1438.76","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0581","0.0448","","","0.1168","0.1278","","","","","","1.067","","","","has coordinates","238335","2020-10-21","18:00:00",""
"1555126","7.789","0.002","11.669","0.003","15.029","0.004","90","","90","","90","","1366","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0361","0.0357","","","0.0838","0.084","","","","","","1.187","","","","has coordinates","238337","2020-10-21","18:00:00",""
"1555128","9.24","0.005","6.262","0.003","14.504","0.008","90","","91.561","0.009","90","","838.9","0.8","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H17 Br Cl N O4 S -","- C14 H17 Br Cl N O4 S -","- C28 H34 Br2 Cl2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0285","0.0276","","","0.0644","0.0647","","","","","","1.105","","","","has coordinates","238339","2020-10-21","18:00:00",""
"1555130","14.656","0.003","10.051","0.002","14.998","0.003","90","","104.87","0.03","90","","2135.3","0.8","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O4 S -","- C20 H24 Br N O4 S -","- C80 H96 Br4 N4 O16 S4 -","4","2","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0703","0.0597","","","0.127","0.1338","","","","","","1.132","","","","has coordinates","238341","2020-10-21","18:00:00",""
"1555133","6.4495","0.0013","15.276","0.003","8.0516","0.0016","90","","96.47","0.03","90","","788.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0253","0.0246","","","0.0605","0.061","","","","","","1.057","","","","has coordinates","238343","2020-10-21","18:00:00",""
"1555134","7.6751","0.0015","12.59","0.003","22.275","0.005","90","","90","","90","","2152.4","0.8","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br Cl N O4 S -","- C20 H23 Br Cl N O4 S -","- C80 H92 Br4 Cl4 N4 O16 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0369","0.034","","","0.0661","0.0674","","","","","","1.109","","","","has coordinates,has disorder","238344","2020-10-21","18:00:00",""
"1555135","11.0456","0.0007","12.0988","0.0008","14.8761","0.001","68.867","0.001","70.725","0.001","86.448","0.001","1746.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 N O4 S2 -","- C40 H41 N O4 S2 -","- C80 H82 N2 O8 S4 -","2","1","","Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui","A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors.","Organic letters","2015","17","17","4128","4131","10.1021/acs.orglett.5b01833","","","0.71073","MoKα","","0.0484","0.0413","","","0.13","0.1559","","","","","","1.062","","","","has coordinates","238345","2020-10-21","18:00:00",""
"1555148","11.13642","0.00007","14.74032","0.00008","46.2616","0.0003","90","","90","","90","","7594.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 N O3 S2 -","- C43 H48 N O3 S2 -","- C344 H384 N8 O24 S16 -","8","2","","Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui","A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors.","Organic letters","2015","17","17","4128","4131","10.1021/acs.orglett.5b01833","","","1.54184","CuKα","","0.0459","0.0455","","","0.1247","0.125","","","","","","1.059","","","","has coordinates,has disorder","275856","2022-06-07","07:08:27",""
"1555149","4.888","0.001","9.8","0.002","18.388","0.004","90","","90","","90","","880.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","","Salahifar, Eslam; Nematollahi, Davood; Bayat, Mehdi; Mahyari, Amir; Amiri Rudbari, Hadi","Regioselective Green Electrochemical Approach to the Synthesis of Nitroacetaminophen Derivatives.","Organic letters","2015","17","19","4666","4669","10.1021/acs.orglett.5b01837","","","0.71073","MoKα","","0.0506","0.029","","","0.0558","0.06","","","","","","0.808","","","","has coordinates","238348","2020-10-21","18:00:00",""
"1555151","9.1308","0.0009","14.0389","0.0016","14.7904","0.0017","90","","106.943","0.002","90","","1813.6","0.3","294","1","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-tert-butyl-5-((4-methylphenyl)(phenyl)methylene) -4,5-dihydrooxazole","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Sinai, Ádám; Vangel, Dóra; Gáti, Tamás; Bombicz, Petra; Novák, Zoltán","Utilization of Copper-Catalyzed Carboarylation-Ring Closure for the Synthesis of New Oxazoline Derivatives.","Organic letters","2015","17","17","4136","4139","10.1021/acs.orglett.5b01860","","","0.71073","MoKα","","0.1242","0.0694","","","0.1791","0.2182","","","","","","0.996","","","","has coordinates","238350","2020-10-21","18:00:00",""
"1555154","15.4081","0.0005","7.7461","0.0003","19.9246","0.0006","90","","98.208","0.003","90","","2353.69","0.14","571","2","571","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C112 H88 Cl8 N16 -","8","2","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0577","0.0522","","","0.1478","0.1562","","","","","","1.043","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555155","11.949","0.002","8.5662","0.0017","17.479","0.003","90","","103.621","0.002","90","","1738.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N2 O P -","- C19 H14 Cl N2 O P -","- C76 H56 Cl4 N8 O4 P4 -","4","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","0.71073","MoKα","","0.0374","0.0335","","","0.0895","0.0933","","","","","","1.045","","","","has coordinates","238353","2020-10-21","18:00:00",""
"1555158","11.4945","0.0005","7.5152","0.0004","17.4299","0.0009","90","","90","","90","","1505.66","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H3 Cl2 N2 -","- C7 H4 Cl2 N2 -","- C56 H32 Cl16 N16 -","8","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0457","0.0372","","","0.0946","0.1032","","","","","","1.056","","","","has coordinates","238355","2020-10-21","18:00:00",""
"1555161","8.759","0.0018","21.523","0.004","10.067","0.002","90","","104.55","0.03","90","","1837","0.7","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C92 H96 O16 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.0748","0.0485","","","0.1113","0.1233","","","","","","1.019","","","","has coordinates","238357","2020-10-21","18:00:00",""
"1555162","7.7505","0.0016","21.813","0.004","9.5132","0.0019","90","","94.65","0.03","90","","1603","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.0501","0.04","","","0.1076","0.1153","","","","","","1.082","","","","has coordinates","238358","2020-10-21","18:00:00",""
"1555163","16.298","0.003","11.852","0.002","9.939","0.002","90","","90.99","0.03","90","","1919.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H16 Cl1.5 N2 O3 -","- C16.5 H16 Cl1.5 N2 O3 -","- C66 H64 Cl6 N8 O12 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.1439","0.1147","","","0.3265","0.3439","","","","","","1.12","","","","has coordinates,has disorder","238359","2020-10-21","18:00:00",""
"1555165","11.48","0.002","10.279","0.002","26.181","0.005","90","","90","","90","","3089.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0493","0.0384","","","0.1015","0.1085","","","","","","1.062","","","","has coordinates","238361","2020-10-21","18:00:00",""
"1555167","10.526","0.002","19.394","0.004","7.8119","0.0016","90","","96.58","0.03","90","","1584.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0501","0.0429","","","0.1054","0.1107","","","","","","1.043","","","","has coordinates","238363","2020-10-21","18:00:00",""
"1555170","9.136","0.0003","10.6809","0.0003","42.2825","0.0012","90","","90","","90","","4126","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C176 H208 O56 -","8","2","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0231","0.0227","","","0.0585","0.0589","","","","","","1.04","","","","has coordinates","238365","2020-10-21","18:00:00",""
"1555171","8.5586","0.0003","9.2119","0.0003","27.3349","0.0008","90","","90","","90","","2155.11","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0631","0.0618","","","0.1241","0.1245","","","","","","1.358","","","","has coordinates","238365","2020-10-21","18:00:00",""
"1555172","11.4637","0.0005","45.4434","0.0019","12.0124","0.0006","90","","116.324","0.002","90","","5608.9","0.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C272 H240 N16 O48 -","8","2","","Yan, Jianming; Tay, Guan Liang; Neo, Cuien; Lee, Bo Ra; Chan, Philip Wai Hong","Gold-Catalyzed Cycloisomerization and Diels-Alder Reaction of 1,6-Diyne Esters with Alkenes and Diazenes to Hydronaphthalenes and -cinnolines.","Organic letters","2015","17","17","4176","4179","10.1021/acs.orglett.5b01935","","","0.71073","MoKα","","0.1184","0.0647","","","0.1358","0.1555","","","","","","1.046","","","","has coordinates","238366","2020-10-21","18:00:00",""
"1555175","9.141","0.006","10.706","0.009","12.0986","0.001","73.26","0.03","68.76","0.03","72.31","0.04","1030.1","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C52 H36 N8 O10 -","2","1","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage.","Organic letters","2015","17","16","4034","4037","10.1021/acs.orglett.5b01940","","","0.71075","MoKα","","","0.0496","","","","0.1505","","","","","","0.801","","","","has coordinates","238368","2020-10-21","18:00:00",""
"1555177","16.334","0.009","13.572","0.007","7.87","0.005","90","","104.13","0.03","90","","1691.9","1.7","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage.","Organic letters","2015","17","16","4034","4037","10.1021/acs.orglett.5b01940","","","0.71075","MoKα","","","0.0435","","","","0.1107","","","","","","1.068","","","","has coordinates","238370","2020-10-21","18:00:00",""
"1555181","8.3103","0.0004","22.0934","0.001","11.8386","0.0006","90","","104.267","0.005","90","","2106.56","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N2 O2 S2 -","- C24 H19 N2 O2 S2 -","- C96 H76 N8 O8 S8 -","4","1","","Chen, Xiang; Zhang, Jun-Qi; Yin, Shao-Jie; Li, Hai-Yan; Zhou, Wei-Qun; Wang, Xing-Wang","Asymmetric Construction of Spiro[thiopyranoindole-benzoisothiazole] Scaffold via a Formal [3 + 3] Spiroannulation.","Organic letters","2015","17","17","4188","4191","10.1021/acs.orglett.5b01951","","","0.71073","MoKα","","0.0538","0.0406","","","0.1001","0.1064","","","","","","1.05","","","","has coordinates","238372","2020-10-21","18:00:00",""
"1555183","12.652","0.002","19.153","0.004","22.403","0.004","90","","90","","90","","5428.8","1.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cl2 N4 O4 S4 -","- C48 H38 Cl2 N4 O4 S4 -","- C192 H152 Cl8 N16 O16 S16 -","4","1","","Chen, Xiang; Zhang, Jun-Qi; Yin, Shao-Jie; Li, Hai-Yan; Zhou, Wei-Qun; Wang, Xing-Wang","Asymmetric Construction of Spiro[thiopyranoindole-benzoisothiazole] Scaffold via a Formal [3 + 3] Spiroannulation.","Organic letters","2015","17","17","4188","4191","10.1021/acs.orglett.5b01951","","","0.71073","MoKα","","0.1102","0.0573","","","0.1242","0.1396","","","","","","0.868","","","","has coordinates","238374","2020-10-21","18:00:00",""
"1555187","6.1472","0.0015","11.724","0.003","27.834","0.007","90","","90","","90","","2006","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl2 N O2 S -","- C19 H21 Cl2 N O2 S -","- C76 H84 Cl8 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.0396","0.0323","","","0.0782","0.0828","","","","","","1.017","","","","has coordinates","238376","2020-10-21","18:00:00",""
"1555188","10.133","0.003","9.753","0.003","19.638","0.005","90","","100.289","0.004","90","","1909.6","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","2","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.126","0.0596","","","0.0957","0.12","","","","","","1","","","","has coordinates","238377","2020-10-21","18:00:00",""
"1555192","8.434","0.006","9.511","0.007","23.843","0.016","90","","90","","90","","1913","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.1328","0.0515","","","0.0798","0.1024","","","","","","0.996","","","","has coordinates","238379","2020-10-21","18:00:00",""
"1555194","7.2944","0.0019","14.078","0.004","19.047","0.006","90","","90","","90","","1955.9","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0765","","","","0.1834","","","","","","1.037","","","","has coordinates","238381","2020-10-21","18:00:00",""
"1555196","12.7097","0.0009","15.6515","0.0013","17.3613","0.0014","90","","90","","90","","3453.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0446","","","","0.1156","","","","","","1.076","","","","has coordinates","238383","2020-10-21","18:00:00",""
"1555197","9.7492","0.0019","10.793","0.002","12.316","0.003","106.75","0.03","97.22","0.03","95.45","0.03","1219.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 N4 O9 -","- C22 H34 N4 O9 -","- C44 H68 N8 O18 -","2","1","","Jia, Yan-Lai; Wei, Mei-Yan; Chen, Hai-Yan; Guan, Fei-Fei; Wang, Chang-Yun; Shao, Chang-Lun","(+)- and (-)-Pestaloxazine A, a Pair of Antiviral Enantiomeric Alkaloid Dimers with a Symmetric Spiro[oxazinane-piperazinedione] Skeleton from Pestalotiopsis sp.","Organic letters","2015","17","17","4216","4219","10.1021/acs.orglett.5b01995","","","0.71073","MoKα","","0.0756","0.0473","","","0.0894","0.101","","","","","","1.01","","","","has coordinates,has disorder","238384","2020-10-21","18:00:00",""
"1555206","9.0718","0.0018","20.806","0.004","12.975","0.003","90","","107.07","0.03","90","","2341.1","0.9","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Liu, Honglei; Yuan, Chunhao; Wu, Yang; Xiao, Yumei; Guo, Hongchao","Sc(OTf)3-Catalyzed [3 + 3] Cycloaddition of Cyclopropane 1,1-Diesters with Phthalazinium Dicyanomethanides.","Organic letters","2015","17","17","4220","4223","10.1021/acs.orglett.5b02003","","","0.71073","MoKα","","0.0391","0.0363","","","0.0758","0.0776","","","","","","1.103","","","","has coordinates","238387","2020-10-21","18:00:00",""
"1555207","9.9256","0.0003","11.9918","0.0003","12.9082","0.0004","90.335","0.0017","100.557","0.0017","103.488","0.0017","1466.85","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C84 H44 F12 -","2","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0429","0.0387","","","0.1033","0.1075","","","","","","1.041","","","","has coordinates","238388","2020-10-21","18:00:00",""
"1555208","9.5341","0.0002","17.1742","0.0004","34.8068","0.0007","90","","90","","90","","5699.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C336 H176 F48 -","8","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0436","0.0363","","","0.0954","0.1011","","","","","","1.039","","","","has coordinates","238389","2020-10-21","18:00:00",""
"1555211","18.5406","0.0005","18.5406","0.0005","21.1268","0.001","90","","90","","90","","7262.4","0.4","115","3","115","3","","","","","","","","6","P 43","P 4cw","78","","","","- C65 H65 Cl3 N4 O6 Zn -","- C65 H65 Cl3 N4 O6 Zn -","- C260 H260 Cl12 N16 O24 Zn4 -","4","1","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.1261","0.0929","","","0.2435","0.273","","","","","","0.928","","","","has coordinates","238391","2020-10-21","18:00:00",""
"1555213","39.3331","0.0014","14.7758","0.0005","28.6914","0.0009","90","","131.696","0.002","90","","12450.8","0.8","112.8","0.3","112.8","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H77 Cl1.5 N4 O5 Zn -","- C70 H77 Cl1.5 N4 O5 Zn -","- C560 H616 Cl12 N32 O40 Zn8 -","8","1","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.0911","0.0644","","","0.1645","0.1817","","","","","","1.06","","","","has coordinates","238393","2020-10-21","18:00:00",""
"1555214","16.9996","0.0005","24.3355","0.0006","32.7331","0.0008","89.3681","0.0019","83.194","0.002","89.522","0.002","13444.9","0.6","115","4","115","4","","","","","","","","5","P -1","-P 1","2","","","","- C67 H71 N4 O5 Zn -","- C67 H72 N4 O5 Zn -","- C536 H576 N32 O40 Zn8 -","8","4","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.1144","0.0831","","","0.2249","0.2456","","","","","","1","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555216","14.857","0.004","12.127","0.003","13.289","0.004","90","","106.898","0.003","90","","2290.9","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","1","","Jia, Feng-Cheng; Zhou, Zhi-Wen; Xu, Cheng; Cai, Qun; Li, Deng-Kui; Wu, An-Xin","Expeditious Synthesis of 2-Phenylquinazolin-4-amines via a Fe/Cu Relay-Catalyzed Domino Strategy.","Organic letters","2015","17","17","4236","4239","10.1021/acs.orglett.5b02020","","","0.71073","MoKα","","0.0443","0.0421","","","0.1175","0.1202","","","","","","1.047","","","","has coordinates","238396","2020-10-21","18:00:00",""
"1555218","9.07268","0.00016","11.9732","0.0002","13.4535","0.0003","90","","106.945","0.0007","90","","1397.99","0.05","165","","165","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H23 Cl3 N2 O2 -","- C33 H23 Cl3 N2 O2 -","- C66 H46 Cl6 N4 O4 -","2","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.0303","0.0271","","","0.0631","0.0669","","","","","","1.066","","","","has coordinates","238398","2020-10-21","18:00:00",""
"1555219","11.4574","0.0002","24.0028","0.0004","9.1294","0.0001","90","","90","","90","","2510.67","0.07","165","","165","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32.5 H26 N2 O3.5 -","- C32.5 H26 N2 O3.5 -","- C130 H104 N8 O14 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.1111","0.0853","","","0.2206","0.2499","","","","","","1.136","","","","has coordinates","238399","2020-10-21","18:00:00",""
"1555220","11.1679","0.0002","24.1852","0.0005","9.1499","0.0002","90","","90","","90","","2471.37","0.09","90","","90","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0599","0.0461","","","0.0968","0.1038","","","","","","1.075","","","","has coordinates","238400","2020-10-21","18:00:00",""
"1555221","10.41941","0.00001","18.297","0.0002","36.8632","0.0005","90","","90","","90","","7027.75","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22.67 N2 O2.33 -","- C32 H22.6193 N2 O2.33333 -","- C384 H271.432 N24 O28 -","12","3","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0594","0.0406","","","0.0937","0.1041","","","","","","1.044","","","","has coordinates,has disorder","238401","2020-10-21","18:00:00",""
"1555222","7.9491","0.0005","16.7592","0.001","18.1848","0.001","90","","90","","90","","2422.6","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0357","0.0347","","","0.076","0.0766","","","","","","1.095","","","","has coordinates","238402","2020-10-21","18:00:00",""
"1555223","16.057","0.004","18.336","0.005","18.879","0.005","79.909","0.013","74.398","0.012","79.264","0.013","5214","2","152","2","152","2","","","","","","","","7","P -1","-P 1","2","","","","- C245 H138 Cl10 F24 N8 O32 S8 -","- C245 H138 Cl10 F24 N8 O32 S8 -","- C245 H138 Cl10 F24 N8 O32 S8 -","1","0.5","","Węcławski, Marek K; Meiling, Till T.; Leniak, Arkadiusz; Cywiński, Piotr J; Gryko, Daniel T.","Planar, Fluorescent Push-Pull System That Comprises Benzofuran and Iminocoumarin Moieties.","Organic letters","2015","17","17","4252","4255","10.1021/acs.orglett.5b02042","","","1.54178","CuKα","","0.1395","0.0675","","","0.1941","0.2609","","","","","","1.112","","","","has coordinates,has disorder","238403","2020-10-21","18:00:00",""
"1555224","19.0503","0.0004","11.68507","0.00017","14.8134","0.0003","90","","92.939","0.0019","90","","3293.19","0.11","102.3","","102.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N2 O9 -","- C41 H36 N2 O9 -","- C164 H144 N8 O36 -","4","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","1.5418","CuKα","","0.0476","0.0404","","","0.0982","0.1033","","","","","","1.024","","","","has coordinates","238404","2020-10-21","18:00:00",""
"1555225","13.9815","0.0008","16.6793","0.0006","26.5582","0.0009","90","","90","","90","","6193.4","0.5","217.9","","217.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O9 -","- C40 H32 N2 O9 -","- C320 H256 N16 O72 -","8","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","0.7107","MoKα","","0.0667","0.0481","","","0.095","0.1037","","","","","","1.032","","","","has coordinates","238405","2020-10-21","18:00:00",""
"1555226","8.9629","0.0004","14.1297","0.0008","18.6198","0.0009","90","","90","","90","","2358.1","0.2","295.42","0.1","295.42","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C112 H96 N8 O12 S4 -","4","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Liu, Xihong; Zhao, Qian; Zhu, Ranran; Zhang, Bangzhi; Wang, Rui","Catalytic Asymmetric [3 + 2] Cyclization Reactions of 3-Isothiocyanato Oxindoles and Alkynyl Ketones Via an in Situ Generated Magnesium Catalyst.","Organic letters","2015","17","17","4260","4263","10.1021/acs.orglett.5b02052","","x-ray","0.71073","MoKα","","0.0578","0.0459","","","0.0877","0.0957","","","","","","1.068","","","","has coordinates","238406","2020-10-21","18:00:00",""
"1555227","13.4658","0.0003","20.2837","0.0007","19.439","0.0005","90","","100.921","0.002","90","","5213.3","0.3","293.18","0.1","293.18","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 F3 I N O4 S -","- C24 H25 F3 I N O4 S -","- C192 H200 F24 I8 N8 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","x-ray","0.71073","MoKα","","0.1263","0.06","","","0.1152","0.1529","","","","","","1.044","","","","has coordinates","238407","2020-10-21","18:00:00",""
"1555229","12.121","0.0006","15.7186","0.0008","25.7853","0.0011","90","","91.321","0.004","90","","4911.4","0.4","290.92","0.1","290.92","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 F2 I N O4 S -","- C24 H26 F2 I N O4 S -","- C192 H208 F16 I8 N8 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","","0.71073","MoKα","","0.0636","0.0438","","","0.0863","0.0994","","","","","","1.078","","","","has coordinates","238409","2020-10-21","18:00:00",""
"1555230","24.1416","0.0007","10.1959","0.0003","20.5376","0.0006","90","","90","","90","","5055.2","0.3","293.78","0.1","293.78","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H25 F2 I N2 O4 S -","- C23 H25 F2 I N2 O4 S -","- C184 H200 F16 I8 N16 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","x-ray","0.71","MoKα","","0.0663","0.0424","","","0.0717","0.0853","","","","","","1.047","","","","has coordinates","238410","2020-10-21","18:00:00",""
"1555231","6.5502","0.0013","13.639","0.003","9.1291","0.0018","90","","91.21","0.03","90","","815.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","1","","Hwang, In Hyun; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.","Pestaloporonins: Caryophyllene-Derived Sesquiterpenoids from a Fungicolous Isolate of Pestalotiopsis sp.","Organic letters","2015","17","17","4284","4287","10.1021/acs.orglett.5b02080","","","1.2399","synchrotron","","0.0529","0.0499","","","0.1342","0.1375","","","","","","1.051","","","","has coordinates","238411","2020-10-21","18:00:00",""
"1555233","6.395","0.0007","46.881","0.006","8.2621","0.001","90","","111.164","0.005","90","","2309.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","2","","Clark, J. Stephen; Romiti, Filippo; Sieng, Bora; Paterson, Laura C.; Stewart, Alister; Chaudhury, Subhabrata; Thomas, Lynne H.","Synthesis of the A-D Ring System of the Gambieric Acids.","Organic letters","2015","17","19","4694","4697","10.1021/acs.orglett.5b02093","","","0.71073","MoKα","","0.0857","0.0779","","","0.2029","0.2101","","","","","","1.094","","","","has coordinates","238413","2020-10-21","18:00:00",""
"1555236","5.8616","0.0002","11.0435","0.0004","18.6965","0.0008","90","","90","","90","","1210.27","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F O2 -","- C14 H17 F O2 -","- C56 H68 F4 O8 -","4","1","","Navuluri, Chandrasekhar; Charette, André B","Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.","Organic letters","2015","17","17","4288","4291","10.1021/acs.orglett.5b02097","","x-ray","1.34139","GaKα","","0.0251","0.0241","","","0.0579","0.0586","","","","","","1.048","","","","has coordinates","238415","2020-10-21","18:00:00",""
"1555237","7.9045","0.0005","11.1779","0.0007","11.7527","0.0007","91.21","0.003","92.807","0.003","94","0.004","1034.33","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 F N2 O6 -","- C23 H23 F N2 O6 -","- C46 H46 F2 N4 O12 -","2","1","","Navuluri, Chandrasekhar; Charette, André B","Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.","Organic letters","2015","17","17","4288","4291","10.1021/acs.orglett.5b02097","","x-ray","1.54178","CuKα","","0.0384","0.0358","","","0.0955","0.0978","","","","","","1.022","","","","has coordinates","238416","2020-10-21","18:00:00",""
"1555241","9.5716","0.0005","40.233","0.002","14.5609","0.0008","90","","90","","90","","5607.3","0.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C76 H48 O4 -","- C76 H48 O4 -","- C304 H192 O16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0375","0.0319","","","0.0901","0.0998","","","","","","1.105","","","","has coordinates","238418","2020-10-21","18:00:00",""
"1555242","9.6233","0.0002","28.1324","0.0004","14.4388","0.0002","90","","90","","90","","3908.97","0.11","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","1.54178","CuKα","","0.0318","0.0297","","","0.0749","0.0764","","","","","","1.026","","","","has coordinates","238419","2020-10-21","18:00:00",""
"1555243","9.5385","0.0015","16.362","0.003","14.106","0.002","90","","90","","90","","2201.5","0.6","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H18 Br2 O2 -","- C26 H18 Br2 O2 -","- C104 H72 Br8 O8 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0562","0.0455","","","0.1026","0.1057","","","","","","0.928","","","","has coordinates","238420","2020-10-21","18:00:00",""
"1555244","13.3557","0.0007","13.3557","0.0007","44.138","0.003","90","","90","","90","","7873.1","0.8","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C76 H78 O16 S4 -","- C76 H78 O16 S4 -","- C304 H312 O64 S16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0848","0.0679","","","0.1641","0.1731","","","","","","1.08","","","","has coordinates","238421","2020-10-21","18:00:00",""
"1555249","12.8306","0.0006","13.8096","0.0006","19.054","0.0009","90","","90","","90","","3376.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 Br N3 O3 -","- C40 H34 Br N3 O3 -","- C160 H136 Br4 N12 O12 -","4","1","","Jing, Changcheng; Xing, Dong; Hu, Wenhao","Catalytic Asymmetric Four-Component Reaction for the Rapid Construction of 3,3-Disubstituted 3-Indol-3'-yloxindoles.","Organic letters","2015","17","17","4336","4339","10.1021/acs.orglett.5b02160","","","0.71073","MoKα","","0.1007","0.0454","","","0.0916","0.1161","","","","","","1.012","","","","has coordinates","238423","2020-10-21","18:00:00",""
"1555251","5.3543","0.0011","15.615","0.003","17.226","0.003","90","","93.57","0.03","90","","1437.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Zhao, Peng; Liu, Yu; Xi, Chanjuan","MeOTf-Induced Carboannulation of Isothiocyanates and Aryl Alkynes with C═S Bond Cleavage: Access to Indenones.","Organic letters","2015","17","17","4388","4391","10.1021/acs.orglett.5b02201","","","0.71073","MoKα","","0.0457","0.0442","","","0.1271","0.1287","","","","","","1.052","","","","has coordinates","238425","2020-10-21","18:00:00",""
"1555254","9.1038","0.0018","11.532","0.002","16.523","0.003","90","","101.54","0.03","90","","1699.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O S -","- C24 H16 O S -","- C96 H64 O4 S4 -","4","1","","Zhao, Peng; Liu, Yu; Xi, Chanjuan","MeOTf-Induced Carboannulation of Isothiocyanates and Aryl Alkynes with C═S Bond Cleavage: Access to Indenones.","Organic letters","2015","17","17","4388","4391","10.1021/acs.orglett.5b02201","","","0.71073","MoKα","","0.0571","0.0518","","","0.1064","0.1137","","","","","","1.038","","","","has coordinates","238427","2020-10-21","18:00:00",""
"1555256","15.86","0.003","8.9849","0.0015","32.138","0.004","90","","117.571","0.007","90","","4059.6","1.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O4 Si -","- C21 H30 O4 Si -","- C168 H240 O32 Si8 -","8","2","","Khatri, Buddha B.; Sieburth, Scott McN","Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement.","Organic letters","2015","17","17","4360","4363","10.1021/acs.orglett.5b02207","","","0.71073","MoKα","","0.0889","0.0651","","","0.1741","0.1884","","","","","","1.072","","","","has coordinates,has disorder","238429","2020-10-21","18:00:00",""
"1555257","34.403","0.003","6.7764","0.0006","16.1333","0.0016","90","","92.333","0.002","90","","3758","0.6","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O3 Si -","- C20 H28 O3 Si -","- C160 H224 O24 Si8 -","8","1","","Khatri, Buddha B.; Sieburth, Scott McN","Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement.","Organic letters","2015","17","17","4360","4363","10.1021/acs.orglett.5b02207","","","0.71073","MoKα","","0.0376","0.0326","","","0.0862","0.091","","","","","","1.044","","","","has coordinates","238430","2020-10-21","18:00:00",""
"1555258","6.9189","0.0001","13.8264","0.0003","21.5767","0.0005","90","","90","","90","","2064.1","0.07","100","0.2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl2 N3 S -","- C9 H5 Cl2 N3 S -","- C72 H40 Cl16 N24 S8 -","8","1","","Kalogirou, Andreas S.; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of N-Aryl-3,5-dichloro-4H-1,2,6-thiadiazin-4-imines from 3,4,4,5-Tetrachloro-4H-1,2,6-thiadiazine.","Organic letters","2015","17","16","4118","4121","10.1021/acs.orglett.5b02237","","","1.54184","CuKα","","0.0317","0.0315","","","0.0835","0.0838","","","","","","1.111","","","","has coordinates","238431","2020-10-21","18:00:00",""
"1555276","13.414","0.011","13.414","0.011","13.869","0.011","90","","90","","120","","2161","3","100","2","100","2","","","","","","","synthesis","4","P 32","P 32","145","Boc-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-OEt","","- C23 H42 N4 O9 -","- C23 H42 N4 O9 -","- C69 H126 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.1322","0.0726","","","0.161","0.1902","","","","","","1.013","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555277","15.4725","0.0013","16.0538","0.0014","16.749","0.003","107.8","0.002","106.461","0.002","106.157","0.002","3482.3","0.8","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-gVNM-gVNM-gVNM-OEt","Boc-gVNM-gVNM-gVNM-OEt","","- C32.33333 H57.66667 N6 O12.66667 -","- C32.3333 H57.6667 N6 O12.6667 -","- C97 H173 N18 O38 -","3","3","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.1225","0.0678","","","0.1875","0.2276","","","","","","0.699","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555278","9.319","0.004","23.446","0.01","11.396","0.005","90","","108.442","0.007","90","","2362.1","1.8","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","","- C39 H70 N8 O15 -","- C39 H70 N8 O15 -","- C78 H140 N16 O30 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.0531","0.041","","","0.0938","0.1012","","","","","","1.001","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555279","11.813","0.003","9.272","0.002","19.747","0.004","90","","104.524","0.005","90","","2093.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-UgFNMUgFNHMe","Boc-UgFNMUgFNHMe","","- C37 H54 N6 O8 -","- C37 H54 N6 O8 -","- C74 H108 N12 O16 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.0877","0.0559","","","0.1314","0.1528","","","","","","0.758","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555280","27.637","0.018","27.637","0.018","11.845","0.008","90","","90","","120","","7835","9","100","2","100","2","","","","","","","","4","P 61","P 61","169","Boc-(UgFNM)2-NHMe","Boc-(UgFNM)2-NHMe","","- C44 H71 N7 O12 -","- C44 H71 N7 O12 -","- C264 H426 N42 O72 -","6","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.2669","0.1189","","","0.2095","0.2638","","","","","","0.928","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555281","11.226","0.002","12.666","0.002","33.431","0.006","90","","90","","90","","4753.5","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","","- C43 H69 N3 O12 -","- C43 H69 N3 O12 -","- C172 H276 N12 O48 -","4","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.1533","0.0709","","","0.1583","0.2027","","","","","","0.997","","","","has coordinates,has disorder","238433","2020-10-21","18:00:00",""
"1555283","9.874","0.001","10.305","0.002","18.765","0.003","90","","99.09","0.01","90","","1885.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O7 -","- C18 H28 O7 -","- C72 H112 O28 -","4","2","","Chaudhary, Sandeep; Sharma, Vashundhra; Jaiswal, Pradeep K.; Gaikwad, Anil N.; Sinha, Sudhir K.; Puri, Sunil K.; Sharon, Ashoke; Maulik, Prakas R.; Chaturvedi, Vinita","Stable Tricyclic Antitubercular Ozonides Derived from Artemisinin.","Organic letters","2015","17","20","4948","4951","10.1021/acs.orglett.5b02296","","","0.71073","MoKα","","0.1535","0.0731","","","0.1768","0.2449","","","","","","1.047","","","","has coordinates","238435","2020-10-21","18:00:00",""
"1555284","27.579","0.006","8.3362","0.0017","17.969","0.004","90","","122.94","0.03","90","","3467","1.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 N O -","- C19 H29 N O -","- C152 H232 N8 O8 -","8","1","","Cheng, Yong-Feng; Rong, Hao-Jie; Yi, Cheng-Bo; Yao, Jun-Jun; Qu, Jin","Redox-Triggered α-C-H Functionalization of Pyrrolidines: Synthesis of Unsymmetrically 2,5-Disubstituted Pyrrolidines.","Organic letters","2015","17","19","4758","4761","10.1021/acs.orglett.5b02298","","","0.71073","MoKα","","0.0982","0.0835","","","0.2453","0.26","","","","","","1.131","","","","has coordinates,has disorder","238436","2020-10-21","18:00:00",""
"1555291","9.87691","0.00018","17.4624","0.0003","14.111","0.0003","90","","101.632","0.007","90","","2383.81","0.1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl N2 O2 P S -","- C28 H22 Cl N2 O2 P S -","- C112 H88 Cl4 N8 O8 P4 S4 -","4","1","","Takada, Hisashi; Kumagai, Naoya; Shibasaki, Masakatsu","Stereoselective Total Synthesis of KAE609 via Direct Catalytic Asymmetric Alkynylation to Ketimine.","Organic letters","2015","17","19","4762","4765","10.1021/acs.orglett.5b02300","","","1.54187","CuKα","","0.0572","0.0474","","","0.1232","0.1292","","","","","","1.146","","","","has coordinates","238438","2020-10-21","18:00:00",""
"1555293","4.4189","0.00005","10.48312","0.00013","16.03096","0.00017","90","","95.3299","0.001","90","","739.405","0.015","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Liu, Wei; Li, Hou-Jin; Xu, Meng-Yang; Ju, Ying-Chen; Wang, Lai-You; Xu, Jun; Yang, De-Po; Lan, Wen-Jian","Pseudellones A-C, Three Alkaloids from the Marine-Derived Fungus Pseudallescheria ellipsoidea F42-3.","Organic letters","2015","17","21","5156","5159","10.1021/acs.orglett.5b02311","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.088","0.0909","","","","","","1.027","","","","has coordinates","238440","2020-10-21","18:00:00",""
"1555294","8.9685","0.0001","11.8374","0.0001","12.3725","0.0001","90","","90","","90","","1313.51","0.02","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","","Liu, Wei; Li, Hou-Jin; Xu, Meng-Yang; Ju, Ying-Chen; Wang, Lai-You; Xu, Jun; Yang, De-Po; Lan, Wen-Jian","Pseudellones A-C, Three Alkaloids from the Marine-Derived Fungus Pseudallescheria ellipsoidea F42-3.","Organic letters","2015","17","21","5156","5159","10.1021/acs.orglett.5b02311","","","0.71073","MoKα","","0.0327","0.0323","","","0.0846","0.0849","","","","","","1.086","","","","has coordinates","238441","2020-10-21","18:00:00",""
"1555296","10.449","0.002","10.564","0.002","10.913","0.002","65.028","0.008","72.368","0.011","76.052","0.011","1031.7","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C42 H44 N4 O12 S2 -","2","1","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Catalytic Asymmetric Oxidative α-C-H N,O-Ketalization of Ketones by Chiral Primary Amine.","Organic letters","2015","17","17","4392","4395","10.1021/acs.orglett.5b02322","","","0.71073","MoKα","","0.047","0.0428","","","0.0939","0.0959","","","","","","1.109","","","","has coordinates","238443","2020-10-21","18:00:00",""
"1555300","8.5759","0.0005","13.69","0.0008","15.1168","0.0009","94.615","0.001","91.322","0.002","103.134","0.002","1721.18","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 N6 O9 S -","- C35 H44 N6 O9 S -","- C70 H88 N12 O18 S2 -","2","1","","Dabrowa, Kajetan; Niedbala, Patryk; Majdecki, Maciej; Duszewski, Piotr; Jurczak, Janusz","A General Method for Synthesis of Unclosed Cryptands via H-Bond Templated Macrocyclization and Subsequent Mild Postfunctionalization.","Organic letters","2015","17","19","4774","4777","10.1021/acs.orglett.5b02324","","","0.71073","MoKα","","0.0479","0.0359","","","0.087","0.0942","","","","","","1.021","","","","has coordinates,has disorder","238446","2020-10-21","18:00:00",""
"1555301","13.5559","0.0002","16.9708","0.0003","16.5586","0.0003","90","","103.987","0.002","90","","3696.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 N7 O11 S -","- C34 H43 N7 O11 S -","- C136 H172 N28 O44 S4 -","4","1","","Dabrowa, Kajetan; Niedbala, Patryk; Majdecki, Maciej; Duszewski, Piotr; Jurczak, Janusz","A General Method for Synthesis of Unclosed Cryptands via H-Bond Templated Macrocyclization and Subsequent Mild Postfunctionalization.","Organic letters","2015","17","19","4774","4777","10.1021/acs.orglett.5b02324","","","1.54184","CuKα","","0.0675","0.0483","","","0.1149","0.1275","","","","","","1.027","","","","has coordinates","238446","2020-10-21","18:00:00",""
"1555303","17.897","0.003","4.7536","0.0007","21.443","0.004","90","","105.729","0.004","90","","1756","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","2","","Nguyen, Thanh Binh; Corbin, Mathilde; Retailleau, Pascal; Ermolenko, Ludmila; Al-Mourabit, Ali","Elements as Direct Feedstocks for Organic Synthesis: Fe/I2/O2 for Diamination of 2-Cyclohexenones with 2-Aminopyrimidine and 2-Aminopyridines.","Organic letters","2015","17","20","4956","4959","10.1021/acs.orglett.5b02340","","","0.71075","MoKα","","0.0731","0.0449","","","0.1048","0.122","","","","","","1.015","","","","has coordinates,has disorder","238448","2020-10-21","18:00:00",""
"1555304","10.972","0.0003","11.356","0.0003","12.6933","0.0003","105.75","0.001","96.509","0.001","100.348","0.001","1475.31","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O4 S2 -","- C36 H26 N2 O4 S2 -","- C72 H52 N4 O8 S4 -","2","1","","Sumi, Takaki; Kaburagi, Tomohiro; Morimoto, Masakazu; Une, Kanako; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Fluorescent Photochromic Diarylethene That Turns on with Visible Light.","Organic letters","2015","17","19","4802","4805","10.1021/acs.orglett.5b02361","","","1.54178","CuKα","","0.0408","0.0392","","","0.1073","0.109","","","","","","1.035","","","","has coordinates","238450","2020-10-21","18:00:00",""
"1555305","7.8828","0.0002","13.6596","0.0003","14.9014","0.0003","112.825","0.001","96.4272","0.0011","96.2488","0.0013","1449.13","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O4 S2 -","- C36 H26 N2 O4 S2 -","- C72 H52 N4 O8 S4 -","2","1","","Sumi, Takaki; Kaburagi, Tomohiro; Morimoto, Masakazu; Une, Kanako; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Fluorescent Photochromic Diarylethene That Turns on with Visible Light.","Organic letters","2015","17","19","4802","4805","10.1021/acs.orglett.5b02361","","","1.54178","CuKα","","0.0457","0.0421","","","0.1177","0.1215","","","","","","1.037","","","","has coordinates","238451","2020-10-21","18:00:00",""
"1555306","11.3073","0.0003","12.3863","0.0002","11.762","0.0002","90","","103.475","0.002","90","","1601.99","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Deng, Guisheng; Wang, Feng; Lu, Shengle; Cheng, Bo","Synthesis of Pyrano[3,2-c]pyrazol-7(1H)-one Derivatives by Tandem Cyclization of 2-Diazo-3,5-dioxo-6-ynoates (Ynones).","Organic letters","2015","17","19","4651","4653","10.1021/acs.orglett.5b02369","","","1.54184","CuKα","","0.0524","0.0487","","","0.1377","0.1433","","","","","","1.051","","","","has coordinates","238453","2020-10-21","18:00:00",""
"1555307","13.19","0.0011","10.5762","0.0009","12.1985","0.001","90","","109.1","0.001","90","","1608","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Gao, Bao; Xie, Yinjun; Shen, Zhiqiang; Yang, Lei; Huang, Hanmin","Decarboxylative Alkylcarboxylation of α,β-Unsaturated Acids Enabled by Copper-Catalyzed Oxidative Coupling.","Organic letters","2015","17","20","4968","4971","10.1021/acs.orglett.5b02382","","","0.71073","MoKα","","0.0489","0.0411","","","0.1201","0.1299","","","","","","1.007","","","","has coordinates","238455","2020-10-21","18:00:00",""
"1555308","7.1386","0.0001","8.0009","0.0001","23.6032","0.0004","90","","90","","90","","1348.1","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Cheng, Tanyu; Ye, Qunqun; Zhao, Qiankun; Liu, Guohua","Dynamic Kinetic Resolution of Phthalides via Asymmetric Transfer Hydrogenation: A Strategy Constructs 1,3-Distereocentered 3-(2-Hydroxy-2-arylethyl)isobenzofuran-1(3H)-one.","Organic letters","2015","17","20","4972","4975","10.1021/acs.orglett.5b02394","","","1.54178","CuKα","","0.0322","0.032","","","0.082","0.0822","","","","","","1.086","","","","has coordinates","238457","2020-10-21","18:00:00",""
"1555309","6.9324","0.0002","8.0825","0.0003","12.0884","0.0003","92.847","0.002","95.144","0.002","94.822","0.002","671.09","0.04","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0441","0.0357","","","0.0843","0.0885","","","","","","1.043","","","","has coordinates","238458","2020-10-21","18:00:00",""
"1555310","14.5086","0.0013","13.0756","0.0009","15.3147","0.001","90","","90","","90","","2905.3","0.4","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C152 H112 N16 O8 -","8","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","0.71073","MoKα","","0.0539","0.0398","","","0.0926","0.1022","","","","","","1.038","","","","has coordinates","238459","2020-10-21","18:00:00",""
"1555311","9.9575","0.0004","10.3499","0.0004","34.9584","0.0014","90","","95.625","0.002","90","","3585.4","0.2","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C168 H160 N16 O24 -","8","2","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0339","0.033","","","0.0808","0.0814","","","","","","1.061","","","","has coordinates","238460","2020-10-21","18:00:00",""
"1555312","12.4989","0.0005","10.3089","0.0004","15.2366","0.0005","90","","91.7","0.002","90","","1962.37","0.13","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0343","0.0327","","","0.0825","0.0844","","","","","","1.035","","","","has coordinates","238461","2020-10-21","18:00:00",""
"1555313","10.027","0.002","5.4598","0.0013","16.953","0.004","90","","106.348","0.004","90","","890.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H17 Cl -","- C25 H17 Cl -","- C50 H34 Cl2 -","2","1","","Mendis, Shehani N.; Tunge, Jon A.","Palladium-Catalyzed Stereospecific Decarboxylative Benzylation of Alkynes.","Organic letters","2015","17","21","5164","5167","10.1021/acs.orglett.5b02410","","","1.54178","CuKα","","0.0255","0.0255","","","0.0661","0.0661","","","","","","1.065","","","","has coordinates","238462","2020-10-21","18:00:00",""
"1555314","8.1216","0.0007","11.5944","0.001","21.1982","0.0018","90","","90","","90","","1996.1","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N3 O5 -","- C20 H18 F3 N3 O5 -","- C80 H72 F12 N12 O20 -","4","1","","Henderson, Alexander S.; Medina, Sandra; Bower, John F.; Galan, M. Carmen","Nucleophilic Aromatic Substitution (SNAr) as an Approach to Challenging Carbohydrate-Aryl Ethers.","Organic letters","2015","17","19","4846","4849","10.1021/acs.orglett.5b02413","","","0.71073","MoKα","","0.0555","0.0368","","","0.0712","0.0791","","","","","","1.044","","","","has coordinates","238464","2020-10-21","18:00:00",""
"1555315","12.1722","0.0005","5.9237","0.0002","12.6791","0.0006","90","","115.892","0.0015","90","","822.45","0.06","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0308","","","","0.0618","","","","","","1.036","","","","has coordinates","238466","2020-10-21","18:00:00",""
"1555316","8.5323","0.0003","19.1547","0.0004","12.0545","0.0004","90","","99.9913","0.0011","90","","1940.23","0.1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 As Au Cl -","- C22 H17 As Au Cl -","- C88 H68 As4 Au4 Cl4 -","4","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0271","","","","0.0534","","","","","","1.045","","","","has coordinates","238467","2020-10-21","18:00:00",""
"1555317","9.915","0.003","17.298","0.005","22.652","0.006","90","","90","","90","","3885","1.9","273","","273","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","0.0525","0.0413","","","0.0889","0.0949","","","","","","0.934","","","","has coordinates","238469","2020-10-21","18:00:00",""
"1555318","7.88163","0.00018","16.2823","0.0004","15.3253","0.0003","90","","90","","90","","1966.71","0.08","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C96 H84 As4 O8 -","4","0.5","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0306","","","","0.0934","","","","","","1.009","","","","has coordinates","238470","2020-10-21","18:00:00",""
"1555319","12.2262","0.0004","6.03311","0.00018","12.5465","0.0005","90","","115.216","0.001","90","","837.26","0.05","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 As -","- C22 H17 As -","- C44 H34 As2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0246","","","","0.0409","","","","","","1.205","","","","has coordinates","238472","2020-10-21","18:00:00",""
"1555320","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0358","0.0328","","","0.0837","0.0868","","","","","","1.076","","","","has coordinates","238475","2020-10-21","18:00:00",""
"1555321","8.30165","0.00015","11.9912","0.0002","19.0328","0.0004","81.1115","0.0007","89.9577","0.0007","75.0852","0.0007","1807.32","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","2","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0684","0.0607","","","0.155","0.164","","","","","","1.042","","","","has coordinates","238476","2020-10-21","18:00:00",""
"1555322","8.35321","0.00019","18.1932","0.0003","12.3367","0.0003","90","","109.572","0.0013","90","","1766.51","0.07","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N -","- C22 H20 I N -","- C88 H80 I4 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0456","0.0409","","","0.0977","0.1004","","","","","","1.06","","","","has coordinates","238478","2020-10-21","18:00:00",""
"1555323","6.5669","0.0008","20.611","0.002","7.3177","0.0009","90","","92.8","0.003","90","","989.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N3 O6 -","- C20 H16 Cl N3 O6 -","- C40 H32 Cl2 N6 O12 -","2","1","","He, Fu-Sheng; Zhu, Han; Wang, Zheng; Gao, Ming; Yu, Xingxin; Deng, Wei-Ping","Asymmetric Construction of 3,4-Diamino Pyrrolidines via Chiral N,O-Ligand/Cu(I) Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phthalimidonitroethene.","Organic letters","2015","17","20","4988","4991","10.1021/acs.orglett.5b02431","","","0.71073","MoKα","","0.0432","0.036","","","0.0867","0.0908","","","","","","1.022","","","","has coordinates","238480","2020-10-21","18:00:00",""
"1555324","11.813","0.009","18.382","0.014","21.241","0.016","90","","92.944","0.011","90","","4606","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 Cl2 N5 O3 -","- C51 H53 Cl2 N5 O3 -","- C204 H212 Cl8 N20 O12 -","4","1","","Tian, Yaming; Tian, Lumin; He, Xiang; Li, Chunju; Jia, Xueshun; Li, Jian","Indium(III) Chloride-Catalyzed Isocyanide Insertion Reaction to Construct Complex Spirooxindole.","Organic letters","2015","17","19","4874","4877","10.1021/acs.orglett.5b02432","","","0.71073","MoKα","","0.1909","0.0992","","","0.2468","0.3239","","","","","","0.994","","","","has coordinates","238482","2020-10-21","18:00:00",""
"1555325","6.5951","0.0014","11.238","0.003","12.03","0.003","105.996","0.006","93.545","0.006","94.888","0.006","850.6","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","12mem_dimer","","","- C17 H31 Si -","- C17 H31 Si -","- C34 H62 Si2 -","2","1","","Sabbasani, Venkata R.; Lee, Daesung","Oxidative Dimerization of Silylallenes via Activation of the Allenic C(sp(2))-H Bond Catalyzed by Copper(I) Chloride and N-Hydroxyphthalimide.","Organic letters","2015","17","19","4878","4881","10.1021/acs.orglett.5b02433","","","0.71073","","","0.0807","0.0526","","","0.1526","0.1784","","","","","","1.154","","","","has coordinates","238484","2020-10-21","18:00:00",""
"1555326","6.2702","0.0009","10.955","0.0019","11.088","0.0019","75.965","0.005","74.11","0.005","74.699","0.005","694.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H23 Si -","- C13 H23 Si -","- C26 H46 Si2 -","2","1","","Sabbasani, Venkata R.; Lee, Daesung","Oxidative Dimerization of Silylallenes via Activation of the Allenic C(sp(2))-H Bond Catalyzed by Copper(I) Chloride and N-Hydroxyphthalimide.","Organic letters","2015","17","19","4878","4881","10.1021/acs.orglett.5b02433","","","0.71073","","","0.1155","0.0964","","","0.3005","0.3182","","","","","","2.442","","","","has coordinates","238486","2020-10-21","18:00:00",""
"1555327","6.5538","0.0005","13.9376","0.001","13.754","0.0011","90","","92.544","0.003","90","","1255.11","0.17","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl F2 N -","- C15 H10 Cl F2 N -","- C60 H40 Cl4 F8 N4 -","4","1","","Aikawa, Kohsuke; Maruyama, Kenichi; Honda, Kazuya; Mikami, Koichi","α-Difluoromethylation on sp(3) Carbon of Nitriles Using Fluoroform and Ruppert-Prakash Reagent.","Organic letters","2015","17","19","4882","4885","10.1021/acs.orglett.5b02438","","","0.71073","","","0.0864","0.0462","","","0.0827","0.0955","","","","","","1.027","","","","has coordinates","238488","2020-10-21","18:00:00",""
"1555328","8.4125","0.0004","9.7659","0.0005","11.5692","0.0006","108.577","0.003","95.876","0.003","110.228","0.003","820.9","0.08","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","1","1","","Bao, Xiaoze; Wang, Baomin; Cui, Longchen; Zhu, Guodong; He, Yuli; Qu, Jingping; Song, Yuming","An Organocatalytic Asymmetric Friedel-Crafts Addition/Fluorination Sequence: Construction of Oxindole-Pyrazolone Conjugates Bearing Vicinal Tetrasubstituted Stereocenters.","Organic letters","2015","17","21","5168","5171","10.1021/acs.orglett.5b02470","","","0.71073","MoKα","","0.043","0.0366","","","0.0948","0.098","","","","","","1.04","","","","has coordinates","238490","2020-10-21","18:00:00",""
"1555329","24.4402","0.0007","52.631","0.004","4.31801","0.00013","90","","90","","90","","5554.3","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C272 H208 Cl16 O32 -","16","1","","Suzuki, Takeyuki; Ismiyarto, ?; Ishizaka, Yuka; Zhou, Da-Yang; Asano, Kaori; Sasai, Hiroaki","One-Pot Catalysis Using a Chiral Iridium Complex/Brønsted Base: Catalytic Asymmetric Synthesis of Catalponol.","Organic letters","2015","17","21","5176","5179","10.1021/acs.orglett.5b02480","","","1.54187","CuKα","","","0.0493","","","","0.1249","","","","","","1.044","","","","has coordinates","238492","2020-10-21","18:00:00",""
"1555330","19.794","0.004","11.828","0.002","7.3236","0.0015","90","","91.476","0.005","90","","1714.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C84 H60 F12 N8 -","4","1","","Tang, Mi; Tong, Lingfeng; Ju, Lei; Zhai, Wanwan; Hu, Yang; Yu, Xinhong","Benzoic Acid Catalyzed Annulations of α-Amino Acids and Aromatic Aldehydes Containing an ortho-Michael Acceptor: Access to 2,5-Dihydro-1H-benzo[c]azepines and 10,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a]azepines.","Organic letters","2015","17","21","5180","5183","10.1021/acs.orglett.5b02484","","","0.71073","MoKα","","0.1182","0.0606","","","0.1366","0.1647","","","","","","1.022","","","","has coordinates,has disorder","238494","2020-10-21","18:00:00",""
"1555331","8.34","0.011","25.16","0.03","8.134","0.01","90","","109.63","0.02","90","","1608","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Yuan, Jingwen; Zhang, Qian; Yu, Mangfei; Huang, Peng; Zhang, Rui; Dong, Dewen","Phenyliodine(III) Diacetate Mediated Oxidative Cyclization of 1-Alkenoyl-1-carbamoyl Cycloalkanes: Access to Spiro-Fused Dihydrofuran-3(2H)-ones.","Organic letters","2015","17","20","5012","5015","10.1021/acs.orglett.5b02485","","","0.71073","MoKα","","0.2259","0.0841","","","0.2134","0.3043","","","","","","0.972","","","","has coordinates,has disorder","238496","2020-10-21","18:00:00",""
"1555332","8.126","0.003","9.511","0.003","12.21","0.004","84.646","0.013","78.696","0.012","74.768","0.01","892","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F2 N O2 -","- C24 H15 F2 N O2 -","- C48 H30 F4 N2 O4 -","2","1","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.0505","0.048","","","0.1232","0.1251","","","","","","1.107","","","","has coordinates","238498","2020-10-21","18:00:00",""
"1555333","6.2172","0.0005","11.8634","0.001","29.226","0.002","90","","94.257","0.007","90","","2149.7","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F4 N2 O4 Si2 -","- C44 H36 F4 N2 O4 Si2 -","- C88 H72 F8 N4 O8 Si4 -","2","0.5","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.1105","0.0625","","","0.1376","0.1568","","","","","","1.042","","","","has coordinates","238500","2020-10-21","18:00:00",""
"1555334","17.755","0.005","9.629","0.003","15.724","0.006","90","","99.347","0.006","90","","2652.5","1.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F4 N2 O4 -","- C34 H20 F4 N2 O4 -","- C136 H80 F16 N8 O16 -","4","1","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.0618","0.0526","","","0.1134","0.118","","","","","","1.105","","","","has coordinates","238502","2020-10-21","18:00:00",""
"1555335","13.6455","0.0003","18.1359","0.0005","24.9551","0.0006","90","","104.465","0.0011","90","","5979.9","0.3","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H46 F12 N6 Ni O16 S4 -","- C51 H46 F11.735 N6 Ni O15.735 S4 -","- C204 H184 F46.94 N24 Ni4 O62.94 S16 -","4","2","","Takeda, Takuya; Harada, Shinji; Nishida, Atsushi","Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones through a Crystallographically Defined Chiral Dinuclear Nickel Complex.","Organic letters","2015","17","21","5184","5187","10.1021/acs.orglett.5b02497","","","1.54187","CuKα","","0.3164","0.1394","","","0.328","0.454","","","","","","0.961","","","","has coordinates,has disorder","238504","2020-10-21","18:00:00",""
"1555336","10.612","0.002","16.848","0.003","23.394","0.005","90","","96.68","0.03","90","","4154.2","1.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N O2 -","- C26 H18 Br N O2 -","- C208 H144 Br8 N8 O16 -","8","2","","Liang, Ling; Li, Erqing; Dong, Xuelin; Huang, You","DABCO-Mediated [4 + 4]-Domino Annulation: Access to Functionalized Eight-Membered Cyclic Ethers.","Organic letters","2015","17","19","4914","4917","10.1021/acs.orglett.5b02498","","","0.71073","MoKα","","0.1526","0.0745","","","0.1647","0.2052","","","","","","1.019","","","","has coordinates","238506","2020-10-21","18:00:00",""
"1555337","8.3018","0.0001","14.7835","0.0002","12.3636","0.0002","90","","101.126","0.001","90","","1488.86","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","2","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0326","0.0322","","","0.0895","0.09","","","","","","1.067","","","","has coordinates","238508","2020-10-21","18:00:00",""
"1555338","8.0539","0.0001","9.0826","0.0001","9.9175","0.0001","102.862","0.001","97.071","0.001","96.384","0.001","694.648","0.014","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0441","0.0426","","","0.1205","0.1234","","","","","","1.063","","","","has coordinates","238509","2020-10-21","18:00:00",""
"1555339","11.3754","0.0001","11.9359","0.0001","14.185","0.0001","90","","90","","90","","1925.98","0.03","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0363","0.0351","","","0.0942","0.0959","","","","","","1.041","","","","has coordinates","238511","2020-10-21","18:00:00",""
"1555340","45.917","0.004","10.214","0.0009","19.5587","0.0017","90","","104.361","0.002","90","","8886.3","1.3","188","2","188","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H22 O S2 -","- C81 H22 O S2 -","- C648 H176 O8 S16 -","8","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.1478","0.0699","","","0.1228","0.1507","","","","","","1.033","","","","has coordinates","238513","2020-10-21","18:00:00",""
"1555341","9.9134","0.0007","14.8425","0.001","17.0648","0.0012","67.983","0.001","89.643","0.001","77.467","0.001","2264.5","0.3","188","2","188","2","","","","","","","","3","P -1","-P 1","2","","","","- C79 H22 O -","- C79 H22 O -","- C158 H44 O2 -","2","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.1288","0.0702","","","0.1675","0.1969","","","","","","0.968","","","","has coordinates","238515","2020-10-21","18:00:00",""
"1555342","14.971","0.0007","17.4948","0.001","16.7353","0.0009","90","","107.46","0.006","90","","4181.3","0.4","104","2","104","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H24 O -","- C80 H24 O -","- C320 H96 O4 -","4","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.0862","0.0551","","","0.1044","0.1169","","","","","","1.052","","","","has coordinates,has disorder","238517","2020-10-21","18:00:00",""
"1555343","6.0749","0.0007","8.2818","0.0009","25.017","0.003","90","","90","","90","","1258.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0533","0.0499","","","0.1302","0.1356","","","","","","1.034","","","","has coordinates","238519","2020-10-21","18:00:00",""
"1555344","10.7069","0.0007","10.8672","0.0006","19.656","0.0012","90","","90","","90","","2287.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","2","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0492","0.0473","","","0.1307","0.1334","","","","","","0.936","","","","has coordinates","238520","2020-10-21","18:00:00",""
"1555345","5.8171","0.0005","7.1215","0.0007","16.2736","0.0015","90","","94.53","0.005","90","","672.05","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0607","0.0497","","","0.1277","0.1372","","","","","","1.061","","","","has coordinates","238522","2020-10-21","18:00:00",""
"1555346","6.1254","0.0003","6.9441","0.0004","10.8047","0.0006","90","","102.426","0.002","90","","448.82","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0458","0.045","","","0.1053","0.1061","","","","","","1.197","","","","has coordinates","238524","2020-10-21","18:00:00",""
"1555347","6.742","0.0002","7.2944","0.0002","15.8577","0.0004","90","","90","","90","","779.86","0.04","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0616","0.0613","","","0.1297","0.131","","","","","","1.339","","","","has coordinates","238526","2020-10-21","18:00:00",""
"1555348","8.236","0.0004","6.3687","0.0003","10.9331","0.0005","90","","92.94","0.001","90","","572.71","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","0.71073","MoKα","","0.0447","0.0413","","","0.1097","0.1135","","","","","","1.051","","","","has coordinates","238527","2020-10-21","18:00:00",""
"1555349","7.32024","0.00009","8.9338","0.0001","17.2413","0.0002","90","","91.3123","0.0012","90","","1127.24","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H40 O8 -","- C24 H40 O8 -","- C48 H80 O16 -","2","1","","Wu, Ping; Xue, Jinghua; Yao, Lei; Xu, Liangxiong; Li, Hanxiang; Wei, Xiaoyi","Bisacremines E-G, Three Polycyclic Dimeric Acremines Produced by Acremonium persicinum SC0105.","Organic letters","2015","17","19","4922","4925","10.1021/acs.orglett.5b02536","","","1.54184","CuKα","","0.0314","0.0293","","","0.0706","0.0727","","","","","","1.073","","","","has coordinates","238529","2020-10-21","18:00:00",""
"1555350","10.925","0.005","10.939","0.005","11.295","0.005","113.793","0.008","97.632","0.008","99.629","0.008","1187.3","0.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O9 -","- C25 H25 N O9 -","- C50 H50 N2 O18 -","2","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Multicomponent Benzannulation Reactions for the Construction of Polysubstituted Benzene Derivatives.","Organic letters","2015","17","21","5216","5219","10.1021/acs.orglett.5b02548","","","0.71073","MoKα","","0.1281","0.0964","","","0.3085","0.3404","","","","","","1.095","","","","has coordinates,has disorder","238531","2020-10-21","18:00:00",""
"1555351","10.167","0.0017","11.5366","0.0019","11.951","0.002","68.165","0.002","67.543","0.002","79.903","0.003","1201.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Multicomponent Benzannulation Reactions for the Construction of Polysubstituted Benzene Derivatives.","Organic letters","2015","17","21","5216","5219","10.1021/acs.orglett.5b02548","","","0.71073","MoKα","","0.0829","0.068","","","0.1885","0.2095","","","","","","1.049","","","","has coordinates,has disorder","238532","2020-10-21","18:00:00",""
"1555352","10.2764","0.0008","23.0983","0.0019","7.47","0.0006","90","","101.197","0.002","90","","1739.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides.","Organic letters","2015","17","21","5220","5223","10.1021/acs.orglett.5b02556","","","0.71073","MoKα","","0.0487","0.0412","","","0.11","0.1169","","","","","","1.022","","","","has coordinates","238533","2020-10-21","18:00:00",""
"1555353","8.3568","0.0005","9.126","0.0006","13.2967","0.0008","72.212","0.002","72.822","0.002","85.148","0.002","922.49","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C42 H48 Br2 N2 O2 -","2","1","","Wong, Ying-Chieh; Ke, Zhihai; Yeung, Ying-Yeung","Lewis Basic Sulfide Catalyzed Electrophilic Bromocyclization of Cyclopropylmethyl Amide.","Organic letters","2015","17","20","4944","4947","10.1021/acs.orglett.5b02557","","","0.71073","MoKα","","0.0423","0.0347","","","0.0782","0.0814","","","","","","1.051","","","","has coordinates","238535","2020-10-21","18:00:00",""
"1555354","5.287","0.0002","9.4826","0.0003","34.033","0.0012","90","","90","","90","","1706.23","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N2 O -","- C18 H32 N2 O -","- C72 H128 N8 O4 -","4","1","","Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep","Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N.","Organic letters","2015","17","20","5084","5087","10.1021/acs.orglett.5b02581","","","1.54178","CuKα","","0.0401","0.036","","","0.0915","0.0943","","","","","","1.083","","","","has coordinates","238539","2020-10-21","18:00:00",""
"1555355","6.6742","0.0015","12.874","0.003","25.688","0.005","90","","90","","90","","2207.2","0.8","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N O4 -","- C24 H24 Br N O4 -","- C96 H96 Br4 N4 O16 -","4","1","","Das, Tapas; Saha, Prasenjit; Singh, Vinod K.","Silver(I)-Ferrophox Catalyzed Enantioselective Desymmetrization of Cyclopentenedione: Synthesis of Highly Substituted Bicyclic Pyrrolidines.","Organic letters","2015","17","20","5088","5091","10.1021/acs.orglett.5b02582","","","0.71073","MoKα","","0.1257","0.063","","","0.1431","0.1703","","","","","","0.996","","","","has coordinates","238541","2020-10-21","18:00:00",""
"1555356","35.112","0.002","12.3662","0.0005","19.6459","0.001","90","","90","","90","","8530.3","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","ZWX","","","- C98 H156 Cd4 Cl14 Lu2 N56 O62 -","- C98 H98 Cd4 Cl14 Lu2 N56 O37 -","- C196 H196 Cd8 Cl28 Lu4 N112 O74 -","2","0.25","","Zhao, Wen-Xuan; Wang, Chuan-Zeng; Chen, Li-Xia; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Huang, Ying; Tao, Zhu; Zhu, Qian-Jiang","A Hemimethyl-Substituted Cucurbit[7]uril Derived from 3α-Methyl-glycoluril.","Organic letters","2015","17","20","5072","5075","10.1021/acs.orglett.5b02588","","","1.54184","CuKα","","0.1815","0.1322","","","0.3694","0.4214","","","","","","1.015","","","","has coordinates,has disorder","238543","2020-10-21","18:00:00",""
"1555357","8.2834","0.0012","10.8217","0.0016","18.382","0.003","78.708","0.014","82.706","0.014","89.789","0.012","1602.4","0.4","293.18","0.1","293.18","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","2","","Yang, Chao; Xu, Zheng-Liang; Shao, Hui; Mou, Xue-Qing; Wang, Jie; Wang, Shao-Hua","A Tin(IV) Chloride Promoted Tandem C-O Bond Cleavage/Nazarov Cyclization/Nucleophilic Addition Reaction of 1,1-Disubstituted Allylic Ethers toward the Synthesis of Multisubstituted Indenes.","Organic letters","2015","17","21","5288","5291","10.1021/acs.orglett.5b02610","","x-ray","0.71073","MoKα","","0.1376","0.0748","","","0.1774","0.2409","","","","","","1.004","","","","has coordinates","238545","2020-10-21","18:00:00",""
"1555358","9.6947","0.0012","12.5617","0.0014","21.062","0.003","90","","90","","90","","2565","0.6","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F6 N3 P Pd -","- C25 H26 F6 N3 P Pd -","- C100 H104 F24 N12 P4 Pd4 -","4","1","","Álvarez-Casao, Yolanda; Monge, David; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Pyridine-Hydrazones as N,N'-Ligands in Asymmetric Catalysis: Pd(II)-Catalyzed Addition of Boronic Acids to Cyclic Sulfonylketimines.","Organic letters","2015","17","20","5104","5107","10.1021/acs.orglett.5b02613","","","0.71073","MoKα","","0.0327","0.0312","","","0.0845","0.0855","","","","","","1.04","","","","has coordinates,has disorder","238546","2020-10-21","18:00:00",""
"1555359","12.3361","0.0004","6.0532","0.0002","13.2095","0.0004","90","","115.922","0.002","90","","887.15","0.05","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 F2 N O3 -","- C19 H23 F2 N O3 -","- C38 H46 F4 N2 O6 -","2","1","","Aikawa, Kohsuke; Yoshida, Seiya; Kondo, Daisuke; Asai, Yuya; Mikami, Koichi","Catalytic Asymmetric Synthesis of Tertiary Alcohols and Oxetenes Bearing a Difluoromethyl Group.","Organic letters","2015","17","20","5108","5111","10.1021/acs.orglett.5b02617","","","1.54178","CuKα","","0.0455","0.0362","","","0.0839","0.0876","","","","","","1.041","","","","has coordinates","238547","2020-10-21","18:00:00",""
"1555360","9.37","0.003","12.582","0.004","14.702","0.004","90.83","0.003","105.888","0.003","110.831","0.003","1546","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 O4 S2 -","- C38 H30 N2 O4 S2 -","- C76 H60 N4 O8 S4 -","2","1","","Dhiman, Seema; Ramasastry, S. S. V.","One-Pot Relay Gold(I) and Brønsted Acid Catalysis: Cyclopenta[b]annulation of Indoles via Hydroamination/Nazarov-Type Cyclization Cascade of Enynols.","Organic letters","2015","17","20","5116","5119","10.1021/acs.orglett.5b02632","","","0.71073","MoKα","","0.0523","0.0391","","","0.0965","0.1058","","","","","","1.027","","","","has coordinates","238549","2020-10-21","18:00:00",""
"1555361","12.0889","0.0008","12.4331","0.0008","18.0531","0.0012","75.323","0.007","86.447","0.007","89.594","0.006","2619.7","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl2 N4 O4 Ru -","- C60 H60 Cl2 N4 O4 Ru -","- C120 H120 Cl4 N8 O8 Ru2 -","2","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0407","","","","0.112","","","","","","1.037","","","","has coordinates","238551","2020-10-21","18:00:00",""
"1555362","15.928","0.004","11.573","0.003","11.95","0.003","90","","107.075","0.008","90","","2105.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C88 H96 N8 O16 S4 -","4","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0502","","","","0.1335","","","","","","1.032","","","","has coordinates","238553","2020-10-21","18:00:00",""
"1555363","16.4534","0.0012","8.1341","0.0006","16.6107","0.0012","90","","116.278","0.009","90","","1993.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0476","","","","0.16","","","","","","1.088","","","","has coordinates","238554","2020-10-21","18:00:00",""
"1555364","8.1967","0.0014","9.0717","0.0015","15.216","0.003","87.208","0.006","82.37","0.006","65.005","0.005","1016.4","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C44 H50 N2 O4 S2 -","2","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0739","","","","0.1786","","","","","","1.038","","","","has coordinates","238556","2020-10-21","18:00:00",""
"1555365","9.512","0.004","19.054","0.007","30.838","0.014","90","","93.81","0.008","90","","5577","4","100","2","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 S -","- C24 H25 Br N2 O4 S -","- C192 H200 Br8 N16 O32 S8 -","8","2","","Shu, Xing-zhong; Schienebeck, Casi M.; Li, Xiaoxun; Zhou, Xin; Song, Wangze; Chen, Lianqing; Guzei, Ilia A.; Tang, Weiping","Rhodium-Catalyzed Stereoselective Intramolecular [5 + 2] Cycloaddition of 3-Acyloxy 1,4-Enyne and Alkene.","Organic letters","2015","17","20","5128","5131","10.1021/acs.orglett.5b02665","","x-ray","0.71073","MoKα","K-L~3~","0.057","0.0499","","","0.1229","0.1259","","","","","","1.062","","","","has coordinates,has disorder","238558","2020-10-21","18:00:00",""
"1555366","12.4342","0.0007","16.375","0.0011","8.6369","0.0005","90","","106.914","0.004","90","","1682.49","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Yashmeen, Afsana; Bag, Subhendu Sekhar; Punniyamurthy, Tharmalingam","Synthesis of Functionalized Pyrazoles via Vanadium-Catalyzed C-N Dehydrogenative Cross-Coupling and Fluorescence Switch-On Sensing of BSA Protein.","Organic letters","2015","17","21","5308","5311","10.1021/acs.orglett.5b02669","","","0.71073","MoKα","","0.0906","0.0563","","","0.1581","0.1899","","","","","","1.042","","","","has coordinates","238560","2020-10-21","18:00:00",""
"1555367","10.2093","0.0001","10.2093","0.0001","30.4222","0.0003","90","","90","","120","","2746.08","0.05","295","2","295","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C108 H138 N6 O42 -","6","1","","N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V.","Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene.","Organic letters","2015","17","21","5312","5315","10.1021/acs.orglett.5b02677","","","1.54178","CuKα","","0.0321","0.0314","","","0.0911","0.0929","","","","","","1.075","","","","has coordinates,has disorder","238562","2020-10-21","18:00:00",""
"1555368","9.5014","0.001","17.2076","0.0019","9.9401","0.001","90","","90.682","0.002","90","","1625.1","0.3","90","2","90.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N2 O2.5 -","- C19 H21 N2 O2.5 -","- C76 H84 N8 O10 -","4","2","","Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.","Organic letters","2015","17","23","5732","5735","10.1021/acs.orglett.5b02680","","","0.71073","MoKα","","0.0346","0.0335","","","0.0924","0.0935","","","","","","1.033","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1555369","21.8506","0.0005","6.802","0.0001","25.1773","0.0005","90","","113.248","0.001","90","","3438.21","0.12","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 N4 O5 -","- C42 H46 N4 O5 -","- C168 H184 N16 O20 -","4","1","","Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.","Organic letters","2015","17","23","5732","5735","10.1021/acs.orglett.5b02680","","","1.54178","CuKα","","0.0663","0.0599","","","0.1708","0.1775","","","","","","1.039","","","","has coordinates","238565","2020-10-21","18:00:00",""
"1555370","7.0727","0.0002","8.9761","0.0008","11.4306","0.0005","90","","96.806","0.004","90","","720.56","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng","Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer.","Organic letters","2015","17","21","5324","5327","10.1021/acs.orglett.5b02683","","","1.54178","CuKα","","0.032","0.0303","","","0.0772","0.0791","","","","","","1.087","","","","has coordinates","238567","2020-10-21","18:00:00",""
"1555371","7.5169","0.0003","10.5263","0.0005","16.5993","0.0008","90","","90","","90","","1313.42","0.1","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 S2 -","- C14.4167 H11 N O2 S1.8438 -","- C57.6668 H44 N4 O8 S7.3752 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0283","0.0275","","","0.0754","0.0762","","","","","","1.076","","","","has coordinates","238569","2020-10-21","18:00:00",""
"1555372","7.7171","0.0005","7.9486","0.0005","23.816","0.0014","90","","90","","90","","1460.88","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0342","0.0294","","","0.0678","0.0706","","","","","","1.04","","","","has coordinates","238571","2020-10-21","18:00:00",""
"1555373","10.7582","0.0006","10.7582","0.0006","11.4283","0.0007","90","","90","","90","","1322.7","0.13","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0295","0.0269","","","0.0645","0.0661","","","","","","1.065","","","","has coordinates","238573","2020-10-21","18:00:00",""
"1555374","7.5472","0.0005","10.3052","0.0007","16.2327","0.001","90","","90","","90","","1262.5","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 S -","- C14.1667 H11 N O2.875 S -","- C56.6668 H44 N4 O11.5 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0403","0.0363","","","0.0881","0.0909","","","","","","1.07","","","","has coordinates","238574","2020-10-21","18:00:00",""
"1555375","8.0916","0.0006","9.4218","0.0007","13.8016","0.001","90","","90","","90","","1052.2","0.13","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0265","0.0259","","","0.0672","0.0679","","","","","","1.058","","","","has coordinates","238576","2020-10-21","18:00:00",""
"1555376","6.625","0.003","10.223","0.004","31.029","0.012","90","","90","","90","","2101.5","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Br O6 -","- C24 H21 Br O6 -","- C96 H84 Br4 O24 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Han-Ming; Ye, Song","Enantioselective Synthesis of Bicyclic δ-Lactones via N-Heterocyclic Carbene-Catalyzed Cascade Reaction.","Organic letters","2015","17","20","5140","5143","10.1021/acs.orglett.5b02695","","","0.71073","MoKα","","0.063","0.057","","","0.1515","0.1592","","","","","","1.137","","","","has coordinates","238577","2020-10-21","18:00:00",""
"1555377","28.0198","0.0017","9.2681","0.0005","17.0333","0.001","90","","104.376","0.002","90","","4284.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 F3 N O4 -","- C24 H24 F3 N O4 -","- C192 H192 F24 N8 O32 -","8","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0777","0.0485","","","0.1357","0.177","","","","","","1.043","","","","has coordinates","238579","2020-10-21","18:00:00",""
"1555378","9.5002","0.0007","9.6957","0.0006","10.3129","0.0007","96.467","0.004","104.739","0.004","98.162","0.004","898.32","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O4 -","- C21 H21 N2 O4 -","- C42 H42 N4 O8 -","2","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0764","0.0488","","","0.1464","0.184","","","","","","1.132","","","","has coordinates","238581","2020-10-21","18:00:00",""
"1555379","13.6453","0.0011","9.9432","0.0008","14.4487","0.0011","90","","91.039","0.002","90","","1960","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N3 O -","- C23 H20 F3 N3 O -","- C92 H80 F12 N12 O4 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0744","0.0481","","","0.1081","0.1209","","","","","","1.021","","","","has coordinates","238583","2020-10-21","18:00:00",""
"1555380","32.003","0.003","7.0392","0.0007","19.0154","0.0019","90","","120.399","0.002","90","","3694.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 O -","- C22 H27 N3 O -","- C176 H216 N24 O8 -","8","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0811","0.0482","","","0.1123","0.1283","","","","","","1.01","","","","has coordinates","238585","2020-10-21","18:00:00",""
"1555381","22.182","0.004","22.337","0.005","14.877","0.003","90","","90","","90","","7371","3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C352 H320 N32 O80 -","16","2","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.1201","0.0679","","","0.1906","0.2788","","","","","","0.987","","","","has coordinates","238586","2020-10-21","18:00:00",""
"1555382","17.6141","0.0008","8.5636","0.0004","12.8104","0.0006","90","","107.202","0.002","90","","1845.89","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0631","0.043","","","0.134","0.1675","","","","","","1.166","","","","has coordinates","238588","2020-10-21","18:00:00",""
"1555383","17.188","0.006","9.172","0.004","13.025","0.005","90","","108.831","0.008","90","","1943.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0641","0.0427","","","0.0982","0.1098","","","","","","1.046","","","","has coordinates","238589","2020-10-21","18:00:00",""
"1555384","12.718","0.002","8.6639","0.0016","12.342","0.002","90","","101.101","0.003","90","","1334.5","0.4","293","2","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H32 B2 F4 N4 -","- C30 H32 B2 F4 N4 -","- C60 H64 B4 F8 N8 -","2","0.5","","Wang, Jun; Wu, Qinghua; Wang, Shaowu; Yu, Changjiang; Li, Jin; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes.","Organic letters","2015","17","21","5360","5363","10.1021/acs.orglett.5b02717","","","0.71073","MoKα","","0.1728","0.0614","","","0.1313","0.1804","","","","","","0.981","","","","has coordinates,has disorder","238591","2020-10-21","18:00:00",""
"1555385","17.6404","0.0015","8.5702","0.0008","20.1377","0.0017","90","","114.568","0.001","90","","2768.8","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B2 F4 N4 -","- C30 H34 B2 F4 N4 -","- C120 H136 B8 F16 N16 -","4","1","","Wang, Jun; Wu, Qinghua; Wang, Shaowu; Yu, Changjiang; Li, Jin; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes.","Organic letters","2015","17","21","5360","5363","10.1021/acs.orglett.5b02717","","","0.71073","MoKα","","0.0864","0.0571","","","0.1591","0.1764","","","","","","1.289","","","","has coordinates","238591","2020-10-21","18:00:00",""
"1555386","8.7914","0.0004","22.2498","0.0011","11.9566","0.0005","90","","90","","90","","2338.79","0.19","105","","105","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.049","0.0388","","","0.0922","0.0979","","","","","","1.05","","","","has coordinates","238593","2020-10-21","18:00:00",""
"1555387","7.8202","0.0005","15.433","0.0009","28.4386","0.0017","90","","90","","90","","3432.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C148 H168 N16 O24 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.046","0.0437","","","0.1225","0.1248","","","","","","1.022","","","","has coordinates,has disorder","238595","2020-10-21","18:00:00",""
"1555388","10.2983","0.0004","10.6899","0.0005","13.1072","0.0006","90","","94.794","0.003","90","","1437.89","0.11","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N4 O4 -","- C34 H34 N4 O4 -","- C68 H68 N8 O8 -","2","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.0576","0.0371","","","0.0778","0.0846","","","","","","1.03","","","","has coordinates,has disorder","238597","2020-10-21","18:00:00",""
"1555389","12.7295","0.0012","15.5318","0.0014","24.571","0.002","90","","90","","90","","4858","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br N2 O3 -","- C29 H25 Br N2 O3 -","- C232 H200 Br8 N16 O24 -","8","1","","Li, Falin; Chen, Jiangfei; Hou, Yading; Li, Yujie; Wu, Xin-Yan; Tong, Xiaofeng","1,3-Dipolar Cycloadditions of 4-Acetoxy Allenoates: Access to 2,3-Dihydropyrazoles, 2,3-Dihydroisoxazoles, and Indolizines.","Organic letters","2015","17","21","5376","5379","10.1021/acs.orglett.5b02724","","","0.71073","MoKα","","0.058","0.0371","","","0.0825","0.0917","","","","","","1.017","","","","has coordinates","238599","2020-10-21","18:00:00",""
"1555390","7.4977","0.0014","11.606","0.002","23.037","0.005","90","","91.639","0.003","90","","2003.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N S2 -","- C23 H25 N S2 -","- C92 H100 N4 S8 -","4","1","","Yamauchi, Takayuki; Shibahara, Fumitoshi; Murai, Toshiaki","Direct C-H Bond Arylation of Thienyl Thioamides Catalyzed by Pd-Phenanthroline Complexes.","Organic letters","2015","17","21","5392","5395","10.1021/acs.orglett.5b02742","","","0.71075","MoKα","","0.1112","0.0648","","","0.1384","0.1616","","","","","","1.088","","","","has coordinates","238601","2020-10-21","18:00:00",""
"1555391","11.7863","0.0001","15.6266","0.0002","27.3025","0.0004","90","","90","","90","","5028.57","0.11","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 Cl I2 N7 O -","- C48 H70 Cl I2 N7 O -","- C192 H280 Cl4 I8 N28 O4 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0358","0.0319","","","0.0595","0.061","","","","","","1.082","","","","has coordinates","238603","2020-10-21","18:00:00",""
"1555392","16.4441","0.0003","19.3772","0.0003","19.7044","0.0003","90","","90","","90","","6278.62","0.18","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54.5 H73 Cl5 I2 N8 -","- C54.5 H73 Cl5 I2 N8 -","- C218 H292 Cl20 I8 N32 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.089","0.0711","","","0.1608","0.1697","","","","","","1.153","","","","has coordinates,has disorder","238603","2020-10-21","18:00:00",""
"1555393","50.2116","0.0013","8.9517","0.0002","25.5239","0.0007","90","","111.754","0.001","90","","10655.4","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H35 I2 N7 -","- C37 H35 I2 N7 -","- C444 H420 I24 N84 -","12","1.5","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0534","0.049","","","0.108","0.1107","","","","","","1.145","","","","has coordinates,has disorder","238603","2020-10-21","18:00:00",""
"1555394","20.9995","0.0003","15.2694","0.0002","28.6315","0.0004","90","","90.725","0.004","90","","9179.9","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H108 Cl3 I4 N15 O4 -","- C91 H108 Cl3 I4 N15 O4 -","- C364 H432 Cl12 I16 N60 O16 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.04","0.0339","","","0.0735","0.0765","","","","","","1.087","","","","has coordinates","238603","2020-10-21","18:00:00",""
"1555395","17.3106","0.0003","15.673","0.0003","15.0038","0.0003","90","","109.469","0.0001","90","","3837.91","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 I2 N7 O2 -","- C37 H35 I2 N7 O2 -","- C148 H140 I8 N28 O8 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0343","0.0297","","","0.0701","0.072","","","","","","1.055","","","","has coordinates","238603","2020-10-21","18:00:00",""
"1555396","7.5247","0.0004","13.1309","0.0007","15.066","0.0008","90","","90","","90","","1488.61","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C52 H80 N8 O28 -","4","1","","Habibian, Maryam; Martínez-Montero, Saúl; Portella, Guillem; Chua, Zhijie; Bohle, D. Scott; Orozco, Modesto; Damha, Masad J.","Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties.","Organic letters","2015","17","21","5416","5419","10.1021/acs.orglett.5b02769","","","0.71073","MoKα","","0.0376","0.0353","","","0.0976","0.0993","","","","","","1.076","","","","has coordinates","238605","2020-10-21","18:00:00",""
"1555397","20.9278","0.0013","20.9278","0.0013","11.7428","0.0016","90","","90","","120","","4454","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C62 H73.33 N13 O12 -","- C62 H73.38 N13 O12 -","- C186 H220.14 N39 O36 -","3","0.166667","","Ren, Changliang; Shen, Jie; Zeng, Huaqiang","One-Pot Synthesis of Strained Macrocyclic Pyridone Hexamers and Their High Selectivity toward Cu(2+) Recognition.","Organic letters","2015","17","24","5946","5949","10.1021/acs.orglett.5b02780","","","0.71073","MoKα","","0.0989","0.0838","","","0.2494","0.2672","","","","","","1.108","","","","has coordinates,has disorder","238607","2020-10-21","18:00:00",""
"1555398","7.2207","0.0006","10.6225","0.0008","10.6751","0.0008","90","","101.193","0.004","90","","803.23","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MW5-023","sarpong110","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0266","0.0261","","","0.0663","0.0668","","","","","","1.026","","","","has coordinates","238609","2020-10-21","18:00:00",""
"1555399","7.5988","0.0004","8.4424","0.0004","21.953","0.001","90","","90","","90","","1408.33","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MW5128","sarpong118","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","0.71073","MoKα","","0.032","0.0314","","","0.0817","0.0823","","","","","","1.045","","","","has coordinates","238610","2020-10-21","18:00:00",""
"1555400","7.2672","0.0002","12.3762","0.0004","18.5597","0.0005","90","","90","","90","","1669.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kro4-035","sarpong115","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0296","0.0291","","","0.0748","0.0753","","","","","","1.089","","","","has coordinates","238613","2020-10-21","18:00:00",""
"1555401","7.5354","0.0006","8.5029","0.0008","11.9989","0.0011","90","","90.259","0.006","90","","768.79","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","MW5-085","sarpong114","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0691","0.0585","","","0.1491","0.1567","","","","","","1.064","","","","has coordinates","238614","2020-10-21","18:00:00",""
"1555402","6.5461","0.0002","8.998","0.0004","14.2101","0.0005","92.224","0.002","101.253","0.0019","92.809","0.002","818.92","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C44 H30 Cl2 O2 -","2","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.0448","0.0354","","","0.0863","0.0924","","","","","","1.049","","","","has coordinates","238616","2020-10-21","18:00:00",""
"1555403","6.253","0.0012","15.418","0.003","17.593","0.004","90","","92.18","0.007","90","","1694.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br O -","- C22 H15 Br O -","- C88 H60 Br4 O4 -","4","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.0538","0.0307","","","0.0585","0.065","","","","","","1.007","","","","has coordinates","238619","2020-10-21","18:00:00",""
"1555404","16.0902","0.0014","5.6098","0.0005","17.2424","0.0013","90","","94.43","0.003","90","","1551.7","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.084","0.0564","","","0.1189","0.1354","","","","","","1.075","","","","has coordinates","238621","2020-10-21","18:00:00",""
"1555405","25.273","0.003","6.4369","0.0009","12.9596","0.0018","90","","90","","90","","2108.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Liu, Hua-Chao; Liu, Kang; Xue, Zhi-Yong; He, Zhao-Lin; Wang, Chun-Jiang","Silver(I)-Catalyzed Enantioselective Desymmetrization of Cyclopentenediones: Access to Highly Functionalized Bicyclic Pyrrolidines.","Organic letters","2015","17","21","5440","5443","10.1021/acs.orglett.5b02810","","","0.71073","MoKα","","0.0722","0.0535","","","0.1133","0.1238","","","","","","0.987","","","","has coordinates","238622","2020-10-21","18:00:00",""
"1555406","7.5529","0.0015","11.091","0.002","10.123","0.002","90","","104.11","0.03","90","","822.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O6 S -","- C17 H15 N O6 S -","- C34 H30 N2 O12 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0475","0.044","","","0.0883","0.0903","","","","","","1.123","","","","has coordinates","238624","2020-10-21","18:00:00",""
"1555407","7.7963","0.0006","11.5859","0.0007","23.086","0.0017","90","","90","","90","","2085.3","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0465","0.0431","","","0.0905","0.0921","","","","","","1.108","","","","has coordinates","238625","2020-10-21","18:00:00",""
"1555408","11.974","0.002","5.7044","0.0011","15.451","0.003","90","","95.49","0.03","90","","1050.5","0.3","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br2 Cl2 N O5 S -","- C18 H15 Br2 Cl2 N O5 S -","- C36 H30 Br4 Cl4 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.048","0.0465","","","0.1222","0.1248","","","","","","1.076","","","","has coordinates","238627","2020-10-21","18:00:00",""
"1555409","7.7017","0.0015","8.4118","0.0015","27.288","0.005","90","","90","","90","","1767.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0418","0.0405","","","0.1247","0.1262","","","","","","1.018","","","","has coordinates","238629","2020-10-21","18:00:00",""
"1555410","8.3457","0.0017","10.924","0.002","9.879","0.002","90","","109.46","0.03","90","","849.2","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C34 H28 N8 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0382","0.0367","","","0.0907","0.0916","","","","","","1.074","","","","has coordinates","238631","2020-10-21","18:00:00",""
"1555411","8.091","0.006","6.973","0.005","15.224","0.011","90","","101.811","0.009","90","","840.7","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C34 H28 Br2 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.049","0.0477","","","0.119","0.1206","","","","","","1.137","","","","has coordinates","238633","2020-10-21","18:00:00",""
"1555412","6.8957","0.0019","12.551","0.003","22.629","0.006","90","","90","","90","","1958.5","0.9","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F2 N O5 S -","- C17 H12 Br F2 N O5 S -","- C68 H48 Br4 F8 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0425","0.0397","","","0.095","0.0976","","","","","","1.104","","","","has coordinates","238635","2020-10-21","18:00:00",""
"1555413","11.289","0.003","10.612","0.003","32.425","0.006","90","","90","","90","","3884.5","1.7","173.15","","173.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H17 N O5 S2 -","- C21 H17 N O5 S2 -","- C168 H136 N8 O40 S16 -","8","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0712","0.0696","","","0.1557","0.1564","","","","","","1.171","","","","has coordinates","238636","2020-10-21","18:00:00",""
"1555414","9.155","0.003","9.47","0.003","23.095","0.007","90","","90","","90","","2002.3","1.1","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br Cl N O5 S -","- C19 H17 Br Cl N O5 S -","- C76 H68 Br4 Cl4 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0493","0.0459","","","0.1068","0.1102","","","","","","1.097","","","","has coordinates","238638","2020-10-21","18:00:00",""
"1555415","6.5953","0.0015","9.079","0.002","21.403","0.005","90","","90","","90","","1281.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0512","0.0505","","","0.1765","0.1778","","","","","","1","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555416","7.2691","0.0008","11.4811","0.001","21.668","0.002","90","","90","","90","","1808.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0633","0.0497","","","0.1263","0.1379","","","","","","0.879","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555417","7.187","0.0004","8.7702","0.0004","11.015","0.0006","90","","98.176","0.005","90","","687.23","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0288","0.0279","","","0.0697","0.0702","","","","","","1.046","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555418","13.5602","0.0009","8.6298","0.0006","17.3709","0.0012","90","","92.1","0.002","90","","2031.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 O9 -","- C17 H16 F6 O9 -","- C68 H64 F24 O36 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.1225","0.0647","","","0.1477","0.1763","","","","","","1.019","","","","has coordinates,has disorder","238642","2020-10-21","18:00:00",""
"1555419","6.4697","0.0006","11.6627","0.0011","16.0124","0.0014","90","","93.278","0.003","90","","1206.23","0.19","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.1458","0.078","","","0.1823","0.2192","","","","","","1.047","","","","has coordinates","238644","2020-10-21","18:00:00",""
"1555420","13.9325","0.0008","8.4366","0.0005","16.9502","0.0009","90","","92.536","0.002","90","","1990.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F3 O9 -","- C17 H19 F3 O9 -","- C68 H76 F12 O36 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.0516","0.0395","","","0.093","0.1004","","","","","","1.043","","","","has coordinates,has disorder","238646","2020-10-21","18:00:00",""
"1555421","5.8376","0.0002","10.6992","0.0004","37.5454","0.0014","90","","90","","90","","2345","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Serpier, Fabien; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Access to Polyfunctionalized Chiral Piperidines through Enantioselective Addition-Carbocyclization Cascade Reaction Catalyzed by a Rhodium(I)-Diene Complex.","Organic letters","2015","17","21","5496","5499","10.1021/acs.orglett.5b02858","","","1.54178","CuKα","","0.0712","0.0447","","","0.0912","0.0994","","","","","","1.035","","","","has coordinates","238648","2020-10-21","18:00:00",""
"1555422","15.9311","0.001","9.7436","0.0006","9.2498","0.0006","90","","90","","90","","1435.81","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H18 Li N2 O -","- C16 H18 Li N2 O -","- C64 H72 Li4 N8 O4 -","4","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.0456","0.0415","","","0.1115","0.1142","","","","","","1.048","","","","has coordinates","238650","2020-10-21","18:00:00",""
"1555423","8.4866","0.0004","18.1483","0.0008","16.7017","0.0008","90","","97.928","0.001","90","","2547.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Si2 -","- C28 H32 N2 Si2 -","- C112 H128 N8 Si8 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.0358","0.0319","","","0.0856","0.0877","","","","","","1.049","","","","has coordinates","238650","2020-10-21","18:00:00",""
"1555424","26.34","0.003","11.0689","0.0003","18.748","0.004","90","","134.32","0.02","90","","3910.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Li2 N4 O2 -","- C44 H62 Li2 N4 O2 -","- C176 H248 Li8 N16 O8 -","4","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.1008","0.062","","","0.1468","0.1666","","","","","","1.028","","","","has coordinates,has disorder","238650","2020-10-21","18:00:00",""
"1555425","13.9869","0.0011","12.5966","0.0011","19.4789","0.0018","90","","90","","90","","3431.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H46 N2 Si2 -","- C39 H46 N2 Si2 -","- C156 H184 N8 Si8 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.034","0.0299","","","0.0721","0.074","","","","","","1.035","","","","has coordinates","238650","2020-10-21","18:00:00",""
"1555426","13.4038","0.0013","9.8242","0.0009","11.011","0.0011","90","","110.376","0.002","90","","1359.2","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 B F N O5 -","- C13.001 H15.001 B F N O5 -","- C52.004 H60.004 B4 F4 N4 O20 -","4","1","","St Denis, Jeffrey D.; Lee, C. Frank; Yudin, Andrei K.","Access to Cyclic Amino Boronates via Rhodium-Catalyzed Functionalization of Alkyl MIDA Boronates.","Organic letters","2015","17","23","5764","5767","10.1021/acs.orglett.5b02861","","","0.71073","MoKα","","0.0447","0.039","","","0.1028","0.1065","","","","","","1.055","","","","has coordinates,has disorder","238653","2020-10-21","18:00:00",""
"1555427","10.3226","0.0004","15.7804","0.0007","11.1047","0.0005","90","","107.792","0.001","90","","1722.38","0.13","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H20 B N2 O7.5 S -","- C15.5 H20 B N2 O7.5 S -","- C62 H80 B4 N8 O30 S4 -","4","1","","St Denis, Jeffrey D.; Lee, C. Frank; Yudin, Andrei K.","Access to Cyclic Amino Boronates via Rhodium-Catalyzed Functionalization of Alkyl MIDA Boronates.","Organic letters","2015","17","23","5764","5767","10.1021/acs.orglett.5b02861","","","0.71073","MoKα","","0.0325","0.0303","","","0.0819","0.0837","","","","","","1.029","","","","has coordinates,has disorder","238655","2020-10-21","18:00:00",""
"1555428","6.9371","0.0004","9.8082","0.0006","22.3442","0.0012","90","","90","","90","","1520.31","0.15","171.5","","171.5","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl2 O S2 -","- C15 H12 Cl2 O S2 -","- C60 H48 Cl8 O4 S8 -","4","0.5","","Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang","Synthesis of α,α-Disulfenylated Aldehydes via Oxidative Transformation of Tertiary Amines.","Organic letters","2015","17","21","5488","5491","10.1021/acs.orglett.5b02876","","","0.71073","MoKα","","0.0339","0.029","","","0.0747","0.0778","","","","","","1.095","","","","has coordinates,has disorder","238656","2020-10-21","18:00:00",""
"1555429","10.1789","0.0004","11.9937","0.0005","13.2135","0.0005","108.6","0.001","95.189","0.001","102.354","0.001","1471.38","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H54 N4 -","- C82 H54 N4 -","- C82 H54 N4 -","1","0.5","","Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang","Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties.","Organic letters","2015","17","24","6138","6141","10.1021/acs.orglett.5b02879","","","0.71073","MoKα","","0.0723","0.048","","","0.1244","0.1416","","","","","","1.018","","","","has coordinates","238658","2020-10-21","18:00:00",""
"1555430","10.0347","0.0008","11.9855","0.001","25.329","0.002","77.339","0.002","87.855","0.002","87.767","0.002","2968.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H54 N4 -","- C82 H54 N4 -","- C164 H108 N8 -","2","1","","Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang","Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties.","Organic letters","2015","17","24","6138","6141","10.1021/acs.orglett.5b02879","","","0.71073","MoKα","","0.0835","0.0527","","","0.1406","0.1671","","","","","","1.019","","","","has coordinates","238660","2020-10-21","18:00:00",""
"1555431","12.275","0.003","11.187","0.002","13.371","0.003","90","","104.835","0.004","90","","1774.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N2 O5 -","- C20 H15 Cl N2 O5 -","- C80 H60 Cl4 N8 O20 -","4","2","","Gao, Hang; Luo, Zhenli; Ge, Pingjin; He, Junqian; Zhou, Feng; Zheng, Peipei; Jiang, Jun","Direct Catalytic Asymmetric Synthesis of β-Hydroxy Acids from Malonic Acid.","Organic letters","2015","17","24","5962","5965","10.1021/acs.orglett.5b02891","","","0.71073","MoKα","","0.0273","0.0259","","","0.0739","0.087","","","","","","1.015","","","","has coordinates","238662","2020-10-21","18:00:00",""
"1555432","13.5437","0.0009","13.0346","0.0008","16.0277","0.0011","90","","102.411","0.002","90","","2763.4","0.3","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25.5 H31 Cl1.5 N2 O5 P S -","- C25.5 H31 Cl1.5 N2 O5 P S -","- C102 H124 Cl6 N8 O20 P4 S4 -","4","2","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Aldol-Cyclization Cascade of 3-Isothiocyanato Oxindoles with α-Ketophosphonates for the Enantioselective Synthesis of β-Amino-α-hydroxyphosphonates.","Organic letters","2015","17","21","5508","5511","10.1021/acs.orglett.5b02929","","","0.71073","MoKα","","0.0479","0.0445","","","0.1138","0.117","","","","","","1.069","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555433","8.9711","0.0012","9.9056","0.0012","10.1296","0.0013","90","","94.135","0.003","90","","897.8","0.2","130","","130","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H18 F3 N O2 S -","- C19 H18 F3 N O2 S -","- C38 H36 F6 N2 O4 S2 -","2","1","","Zhu, Zi-Zhong; Chen, Kai; Yu, Liu-Zhu; Tang, Xiang-Ying; Shi, Min","Copper(I)-Catalyzed Intramolecular Trifluoromethylation of Methylenecyclopropanes.","Organic letters","2015","17","24","5994","5997","10.1021/acs.orglett.5b02940","","","0.71073","MoKα","","0.0846","0.0743","","","0.1954","0.209","","","","","","1.02","","","","has coordinates","238665","2020-10-21","18:00:00",""
"1555434","7.63737","0.00019","22.5914","0.0007","15.1095","0.0004","90","","99.906","0.003","90","","2568.11","0.12","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 O3 -","- C40 H20 O3 -","- C160 H80 O12 -","4","1","","Shyam Sundar, M.; Bedekar, Ashutosh V.","Synthesis and Study of 7,12,17-Trioxa[11]helicene.","Organic letters","2015","17","23","5808","5811","10.1021/acs.orglett.5b02948","","","1.54184","CuKα","","0.0522","0.0427","","","0.1124","0.1209","","","","","","1.0523","","","","has coordinates","238667","2020-10-21","18:00:00",""
"1555435","23.0883","0.001","8.2485","0.0004","17.6035","0.0008","90","","90","","90","","3352.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","2","","Shyam Sundar, M.; Bedekar, Ashutosh V.","Synthesis and Study of 7,12,17-Trioxa[11]helicene.","Organic letters","2015","17","23","5808","5811","10.1021/acs.orglett.5b02948","","","0.71073","MoKα","","0.0788","0.0533","","","0.1055","0.1179","","","","","","1.034","","","","has coordinates","238668","2020-10-21","18:00:00",""
"1555436","37.9789","0.001","14.5891","0.0004","21.4715","0.0006","90","","119.848","0.0007","90","","10318.8","0.5","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C384 H384 N64 O48 -","16","4","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0672","0.0528","","","0.1326","0.1398","","","","","","1.059","","","","has coordinates,has disorder","238670","2020-10-21","18:00:00",""
"1555437","8.2785","0.0002","9.2956","0.0002","29.7576","0.0007","90","","90","","90","","2289.96","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N4 O5 -","- C25 H28 N4 O5 -","- C100 H112 N16 O20 -","4","1","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0909","0.04","","","0.0785","0.1047","","","","","","1.002","","","","has coordinates","238672","2020-10-21","18:00:00",""
"1555438","19.5349","0.0019","6.5541","0.0007","34.67","0.004","90","","95.943","0.005","90","","4415.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 N5 O11 -","- C44 H63 N5 O11 -","- C176 H252 N20 O44 -","4","1","","Tabor, M. Greg; Shenvi, Ryan A.","Synthesis of Lepadiformine Using a Hydroamination Transform.","Organic letters","2015","17","23","5776","5779","10.1021/acs.orglett.5b02992","","","0.71073","MoKα","","0.1006","0.0664","","","0.1364","0.15","","","","","","1.056","","","","has coordinates,has disorder","238674","2020-10-21","18:00:00",""
"1555439","7.0716","0.0005","6.6011","0.0003","13.3983","0.001","90","","92.659","0.006","90","","624.76","0.07","292","","292","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","","Vita, Maria Victoria; Caramenti, Paola; Waser, Jerome","Enantioselective Synthesis of Homoallylic Azides and Nitriles via Palladium-Catalyzed Decarboxylative Allylation.","Organic letters","2015","17","23","5832","5835","10.1021/acs.orglett.5b03002","","","1.54186","CuKα","","0.0409","0.0354","","","0.0918","0.0955","","","","","","1.131","","","","has coordinates","238676","2020-10-21","18:00:00",""
"1555440","8.9762","0.001","9.2143","0.001","15.8055","0.001","91.311","0.007","97.75","0.007","93.388","0.009","1292.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Br N3 O -","- C29 H30 Br N3 O -","- C58 H60 Br2 N6 O2 -","2","1","","Duan, Xiao-Yong; Yang, Xiu-Long; Jia, Pan-Pan; Zhang, Man; Han, Bing","Hydrazonyl Radical-Participated Tandem Reaction: A Strategy for the Synthesis of Pyrazoline-Functionalized Oxindoles.","Organic letters","2015","17","24","6022","6025","10.1021/acs.orglett.5b03003","","","0.71","MoKα","","0.0752","0.0646","","","0.1871","0.2043","","","","","","1.105","","","","has coordinates,has disorder","238678","2020-10-21","18:00:00",""
"1555441","9.2686","0.0015","16.156","0.003","9.4109","0.0016","90","","95.246","0.002","90","","1403.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Sengoku, Tetsuya; Murata, Yusuke; Aso, Yuwa; Kawakami, Ai; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-Catalyzed Amide Allylation of N-Carbonyl Imides: Formation of Azaspiro-γ-lactones via Ring Opening-Reclosure.","Organic letters","2015","17","23","5846","5849","10.1021/acs.orglett.5b03021","","","0.71073","","","0.0429","0.0379","","","0.0937","0.0969","","","","","","1.061","","","","has coordinates","238680","2020-10-21","18:00:00",""
"1555442","25.299","0.002","19.2324","0.0013","28.254","0.004","90","","91.806","0.009","90","","13740","2","120","10","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H170 Cl8 Cu2 N16 O17 -","- C104 H170 Cl8 Cu2 N16 O17 -","- C416 H680 Cl32 Cu8 N64 O68 -","4","0.5","","Ganss, Alexander; Belda, Raquel; Pitarch, Javier; Goddard, Richard; García-España, Enrique; Kubik, Stefan","Synthesis and Structural Characterization of a Cyclen-Derived Molecular Cage.","Organic letters","2015","17","23","5850","5853","10.1021/acs.orglett.5b03027","","","0.7107","MoKα","","0.1702","0.1148","","","0.2927","0.3454","","","","","","0.95","","","","has coordinates,has disorder","238682","2020-10-21","18:00:00",""
"1555443","16.0245","0.0009","8.5681","0.0005","19.233","0.0011","90","","95.076","0.002","90","","2630.3","0.3","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br N3 O3 -","- C28 H32 Br N3 O3 -","- C112 H128 Br4 N12 O12 -","4","1","","Douchez, Antoine; Lubell, William D.","Chemoselective Alkylation for Diversity-Oriented Synthesis of 1,3,4-Benzotriazepin-2-ones and Pyrrolo[1,2][1,3,4]benzotriazepin-6-ones, Potential Turn Surrogates.","Organic letters","2015","17","24","6046","6049","10.1021/acs.orglett.5b03046","","x-ray","1.34139","GaKα","","0.0292","0.0272","","","0.073","0.0746","","","","","","1.049","","","","has coordinates","238685","2020-10-21","18:00:00",""
"1555444","8.8959","0.0011","13.3302","0.0016","15.9639","0.0019","90","","91.132","0.005","90","","1892.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Br Cl N3 O3 -","- C20 H15 Br Cl N3 O3 -","- C80 H60 Br4 Cl4 N12 O12 -","4","1","","Douchez, Antoine; Lubell, William D.","Chemoselective Alkylation for Diversity-Oriented Synthesis of 1,3,4-Benzotriazepin-2-ones and Pyrrolo[1,2][1,3,4]benzotriazepin-6-ones, Potential Turn Surrogates.","Organic letters","2015","17","24","6046","6049","10.1021/acs.orglett.5b03046","","x-ray","1.34139","GaKα","","0.0434","0.0425","","","0.114","0.1149","","","","","","1.071","","","","has coordinates","238685","2020-10-21","18:00:00",""
"1555445","8.7322","0.0007","9.9954","0.0007","12.0561","0.001","78.166","0.007","89.574","0.007","82.698","0.006","1021.37","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Ramanathan, Mani; Wang, Yu-Hao; Liu, Shiuh-Tzung","One-Pot Reactions for Synthesis of 2,5-Substituted Tetrazoles from Aryldiazonium Salts and Amidines.","Organic letters","2015","17","23","5886","5889","10.1021/acs.orglett.5b03068","","","1.54178","CuKα","","0.0809","0.0524","","","0.1163","0.1365","","","","","","1.047","","","","has coordinates","238688","2020-10-21","18:00:00",""
"1555446","9.0068","0.0002","10.478","0.0003","16.4734","0.0004","90","","90","","90","","1554.65","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Lai, Zengwei; Wang, Zhaobin; Sun, Jianwei","Organocatalytic Asymmetric Nucleophilic Addition to o-Quinone Methides by Alcohols.","Organic letters","2015","17","24","6058","6061","10.1021/acs.orglett.5b03072","","x-ray","1.54184","CuKα","","0.0424","0.0352","","","0.0835","0.0883","","","","","","1","","","","has coordinates","238689","2020-10-21","18:00:00",""
"1555447","15.108","0.0007","7.54","0.0005","27.9119","0.0014","90","","90","","90","","3179.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-methoxy-1-(4-methoxyphenyl)-9H-fluoren-9-one","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.0806","0.0622","","","0.1677","0.1986","","","","","","1.052","","","","has coordinates","238690","2020-10-21","18:00:00",""
"1555448","7.8593","0.001","4.0079","0.0005","36.679","0.004","90","","93.567","0.011","90","","1153.1","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-dimethoxy-9H-fluoren-9-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.1158","0.0849","","","0.2458","0.2543","","","","","","1.361","","","","has coordinates","238691","2020-10-21","18:00:00",""
"1555449","20.0748","0.0007","6.8584","0.0003","25.9078","0.0009","90","","106.399","0.001","90","","3421.9","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0948","0.0936","","","0.2628","0.2745","","","","","","1.387","","","","has coordinates","238694","2020-10-21","18:00:00",""
"1555450","11.623","0.003","7.3026","0.0016","12.673","0.003","90","","95.271","0.003","90","","1071.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0631","0.0462","","","0.1051","0.1163","","","","","","1.033","","","","has coordinates","238696","2020-10-21","18:00:00",""
"1555451","31.775","0.005","7.261","0.0011","19.184","0.003","90","","104.026","0.002","90","","4294.1","1.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C192 H288 O32 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.077","0.0668","","","0.1888","0.1942","","","","","","1.101","","","","has coordinates","238698","2020-10-21","18:00:00",""
"1555452","10.27","0.002","7.257","0.0016","14.424","0.003","90","","92.479","0.003","90","","1074","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1018","","","","","","1.054","","","","has coordinates","238700","2020-10-21","18:00:00",""
"1555453","10.0955","0.0006","13.4185","0.0008","24.927","0.0015","90","","90","","90","","3376.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 O5 -","- C38 H54 O5 -","- C152 H216 O20 -","4","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0662","0.05","","","0.1464","0.1552","","","","","","1.104","","","","has coordinates","238702","2020-10-21","18:00:00",""
"1555454","8.2413","0.0004","12.7682","0.0006","15.6926","0.0006","80.64","0.003","82.824","0.003","75.922","0.004","1574.06","0.13","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H84 N8 O2 S2 Si4 -","- C62 H84 N8 O2 S2 Si4 -","- C62 H84 N8 O2 S2 Si4 -","1","0.5","","Cortizo-Lacalle, Diego; Gozalvez, Cristian; Olano, Mikel; Sun, Xiangnan; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","Bisthiadiazole-Fused Tetraazapentacenequinone: An Air-Stable Solution-Processable n-Type Organic Semiconductor.","Organic letters","2015","17","23","5902","5905","10.1021/acs.orglett.5b03099","","x-ray","1.54184","","","0.0671","0.0424","","","0.0833","0.0929","","","","","","0.982","","","","has coordinates","238705","2020-10-21","18:00:00",""
"1555455","9.8014","0.0013","12.1207","0.0015","13.323","0.003","99.552","0.015","106.402","0.016","111.742","0.012","1343.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Cl2 N O4 S -","- C31 H23 Cl2 N O4 S -","- C62 H46 Cl4 N2 O8 S2 -","2","1","","Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang","Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations.","Organic letters","2015","17","24","6078","6081","10.1021/acs.orglett.5b03100","","","0.71073","MoKα","","0.1619","0.0891","","","0.2108","0.264","","","","","","1.048","","","","has coordinates","238708","2020-10-21","18:00:00",""
"1555456","7.3264","0.0004","7.7051","0.0006","23.332","0.0014","84.594","0.001","88.837","0.002","82.404","0.001","1299.7","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Cl2 N O3 S -","- C30 H21 Cl2 N O3 S -","- C60 H42 Cl4 N2 O6 S2 -","2","1","","Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang","Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations.","Organic letters","2015","17","24","6078","6081","10.1021/acs.orglett.5b03100","","","0.71073","MoKα","","0.1809","0.1041","","","0.2512","0.2841","","","","","","1.093","","","","has coordinates","238710","2020-10-21","18:00:00",""
"1555457","9.5468","0.0005","10.4076","0.0006","11.3179","0.0007","103.653","0.005","93.612","0.005","114.414","0.006","978.53","0.12","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Dong, Yaxi; Wu, Yusheng; Kong, Xiangtao; Jiang, Ling; Wu, Yangjie","Copper(I)-Catalyzed Sulfonylation of 8-Aminoquinoline Amides with Sulfonyl Chlorides in Air.","Organic letters","2015","17","24","6086","6089","10.1021/acs.orglett.5b03114","","","1.54184","CuKα","","0.0597","0.0522","","","0.1423","0.1513","","","","","","1.051","","","","has coordinates","238713","2020-10-21","18:00:00",""
"1555458","7.398","0.002","11.831","0.003","25.874","0.007","90","","94.823","0.018","90","","2256.6","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F6 N6 -","- C56 H40 F6 N6 -","- C112 H80 F12 N12 -","2","0.5","","Tasior, Mariusz; Chotkowski, Maciej; Gryko, Daniel T.","Extension of Pyrrolopyrrole π-System: Approach to Constructing Hexacyclic Nitrogen-Containing Aromatic Systems.","Organic letters","2015","17","24","6106","6109","10.1021/acs.orglett.5b03129","","","1.54178","CuKα","","0.0862","0.0639","","","0.1661","0.184","","","","","","1.069","","","","has coordinates","238715","2020-10-21","18:00:00",""
"1555459","10.6194","0.0012","15.7603","0.0018","16.3359","0.0018","73.944","0.003","87.761","0.003","73.938","0.003","2522.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C136 H112 O -","- C136 H112 O -","- C136 H112 O -","1","0.5","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1677","0.0637","","","0.1181","0.1517","","","","","","1.01","","","","has coordinates","238717","2020-10-21","18:00:00",""
"1555460","9.9913","0.0007","15.4197","0.0012","15.7043","0.0013","102.428","0.003","92.308","0.003","99.776","0.002","2321","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C62.74 H45.48 Cl1.48 -","- C62.743 H45.486 Cl1.486 -","- C125.486 H90.972 Cl2.972 -","2","1","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1356","0.0583","","","0.1207","0.148","","","","","","1.01","","","","has coordinates,has disorder","238719","2020-10-21","18:00:00",""
"1555461","10.2023","0.0013","12.2529","0.0014","16.1191","0.0019","98.99","0.03","102.37","0.03","105.55","0.03","1846.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C104 H80 O -","- C104 H80 O -","- C104 H80 O -","1","0.5","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1839","0.0722","","","0.1547","0.2176","","","","","","1.073","","","","has coordinates","238721","2020-10-21","18:00:00",""
"1555462","10.11","0.002","10.19","0.002","36.97","0.007","91.2","0.03","94.1","0.03","95.6","0.03","3779.3","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 O0.5 -","- C52 H40 O0.5 -","- C208 H160 O2 -","4","2","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.2558","0.1127","","","0.273","0.341","","","","","","1.198","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555463","30.72","0.003","17.174","0.0011","16.373","0.0012","90","","97.824","0.003","90","","8557.7","1.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O -","- C58 H52 O -","- C464 H416 O8 -","8","1","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1893","0.1061","","","0.2099","0.2442","","","","","","1.188","","","","has coordinates,has disorder","238725","2020-10-21","18:00:00",""
"1555464","13.0804","0.0014","18.104","0.002","15.8995","0.0017","90","","102.512","0.003","90","","3675.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O1.425 -","- C19 H17 Cl N2 O1.42655 -","- C152 H136 Cl8 N16 O11.4124 -","8","2","","Jiang, Pingping; Li, Feng; Xu, Yongbao; Liu, Qingwen; Wang, Jing; Ding, Hong; Yu, Renfu; Wang, Qifeng","Aromaticity-Dependent Regioselectivity in Pd(II)-Catalyzed C-H Direct Arylation of Aryl Ureas.","Organic letters","2015","17","23","5918","5921","10.1021/acs.orglett.5b03153","","x-ray","0.71073","MoKα","","0.2165","0.091","","","0.2799","0.329","","","","","","0.918","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555465","9.2786","0.0015","23.641","0.004","7.5289","0.0011","90","","90","","90","","1651.5","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.067","0.0409","","","0.0893","0.1006","","","","","","0.936","","","","has coordinates","238731","2020-10-21","18:00:00",""
"1555466","13.899","0.003","6.5834","0.0012","14.579","0.003","90","","117.751","0.003","90","","1180.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0632","0.0468","","","0.1228","0.1326","","","","","","1.07","","","","has coordinates","238733","2020-10-21","18:00:00",""
"1555467","7.3238","0.0008","9.814","0.0011","19.747","0.002","90","","90","","90","","1419.3","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0784","0.0491","","","0.0937","0.1054","","","","","","0.998","","","","has coordinates","238735","2020-10-21","18:00:00",""
"1555468","10.271","0.0011","9.1771","0.001","11.2051","0.0012","90","","97.686","0.002","90","","1046.7","0.2","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0542","0.0434","","","0.1155","0.1237","","","","","","1.053","","","","has coordinates","238737","2020-10-21","18:00:00",""
"1555469","12.5409","0.0014","7.8473","0.0008","31.588","0.003","90","","90","","90","","3108.6","0.6","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0739","0.0467","","","0.1095","0.1241","","","","","","1.019","","","","has coordinates","238739","2020-10-21","18:00:00",""
"1555470","6.866","0.005","10.24","0.007","11.188","0.007","69.311","0.011","72.734","0.012","83.093","0.013","702.6","0.8","130","2","130","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.1169","0.0767","","","0.1861","0.223","","","","","","0.983","","","","has coordinates","238741","2020-10-21","18:00:00",""
"1555471","4.629","0.002","16.421","0.008","17.474","0.008","90","","91.158","0.01","90","","1328","1.1","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0896","0.068","","","0.1958","0.2214","","","","","","1.043","","","","has coordinates","238743","2020-10-21","18:00:00",""
"1555472","7.4224","0.0019","7.787","0.002","12.133","0.003","99.775","0.005","91.453","0.005","97.925","0.005","683.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C36 H24 O6 -","2","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0592","0.0485","","","0.1213","0.1295","","","","","","1.029","","","","has coordinates","238745","2020-10-21","18:00:00",""
"1555473","9.3725","0.001","21.712","0.002","9.3146","0.001","90","","106.094","0.002","90","","1821.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Hong, Jung-Ho; Atta, Ananta Kumar; Jung, Kwang-Bok; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu","Conformationally Locked Tolans, β-Sheet Structures, and Photophysical Properties.","Organic letters","2015","17","24","6222","6225","10.1021/acs.orglett.5b03205","","","0.71073","MoKα","","0.1887","0.0621","","","0.1486","0.2009","","","","","","0.965","","","","has coordinates","238747","2020-10-21","18:00:00",""
"1555474","8.5345","0.0004","8.8037","0.0004","11.0062","0.0007","90","","90.369","0.005","90","","826.94","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 N O3 S -","- C17 H22 N O3 S -","- C34 H44 N2 O6 S2 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0703","0.0527","","","0.1269","0.1409","","","","","","1.025","","","","has coordinates","238749","2020-10-21","18:00:00",""
"1555475","6.1187","0.0002","15.5628","0.0007","7.4298","0.0003","90","","90.617","0.004","90","","707.46","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N3 O4 -","- C13 H18 N3 O4 -","- C26 H36 N6 O8 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0365","0.0341","","","0.0887","0.0907","","","","","","1.068","","","","has coordinates","238751","2020-10-21","18:00:00",""
"1555476","6.642","0.0002","14.2879","0.0004","13.6807","0.0004","90","","91.605","0.002","90","","1297.79","0.07","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 O S2 Si -","- C10 H20 O S2 Si -","- C40 H80 O4 S8 Si4 -","4","2","","Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B","An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.","Organic letters","2015","17","24","6242","6245","10.1021/acs.orglett.5b03235","","","0.71073","MoKα","","0.0353","0.0307","","","0.0867","0.0999","","","","","","1.146","","","","has coordinates","238753","2020-10-21","18:00:00",""
"1555477","9.7683","0.0006","10.4783","0.0007","12.5293","0.0008","102.548","0.003","99.034","0.002","115.038","0.002","1088.3","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 O S4 Si -","- C18 H34 O S4 Si -","- C36 H68 O2 S8 Si2 -","2","1","","Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B","An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.","Organic letters","2015","17","24","6242","6245","10.1021/acs.orglett.5b03235","","","0.71073","MoKα","","0.0198","0.0194","","","0.0502","0.0506","","","","","","1.047","","","","has coordinates","238755","2020-10-21","18:00:00",""
"1555478","12.2975","0.0008","14.2131","0.0009","10.3046","0.0007","90","","107.61","0.005","90","","1716.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Taguchi, Masamitsu; Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Synthesis of Fused Carbazoles by Gold-Catalyzed Tricyclization of Conjugated Diynes via Rearrangement of an N-Propargyl Group.","Organic letters","2015","17","24","6250","6253","10.1021/acs.orglett.5b03254","","","1.54187","CuKα","","0.0466","0.0437","","","0.1168","0.1187","","","","","","1.082","","","","has coordinates","238758","2020-10-21","18:00:00",""
"1555480","10.094","0.003","14.285","0.004","11.689","0.003","90","","90.952","0.004","90","","1685.2","0.8","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N -","- C21 H18 Br N -","- C84 H72 Br4 N4 -","4","2","","Zhang, Zhenhua; Du, Haifeng","Enantioselective Metal-Free Hydrogenations of Disubstituted Quinolines.","Organic letters","2015","17","24","6266","6269","10.1021/acs.orglett.5b03307","","","0.71073","MoKα","","0.0402","0.0362","","","0.0687","0.0708","","","","","","1.083","","","","has coordinates","238762","2020-10-21","18:00:00",""
"1555481","9.0073","0.0002","29.18","0.0007","7.8919","0.0002","90","","104.587","0.001","90","","2007.39","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T.","Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration.","Organic letters","2015","17","24","6270","6273","10.1021/acs.orglett.5b03319","","","0.71073","MoKα","","0.0677","0.0569","","","0.1243","0.1293","","","","","","1.112","","","","has coordinates","238764","2020-10-21","18:00:00",""
"1555482","10.369","0.003","13.94","0.005","14.494","0.005","83.533","0.004","85.279","0.004","75.051","0.008","2008.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","2","","Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T.","Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration.","Organic letters","2015","17","24","6270","6273","10.1021/acs.orglett.5b03319","","","0.71073","MoKα","","0.1847","0.111","","","0.3108","0.4024","","","","","","1.341","","","","has coordinates","238766","2020-10-21","18:00:00",""
"1555483","8.73","0.0001","13.8357","0.0002","9.1173","0.0001","90","","93.75","0.001","90","","1098.88","0.02","140","2","140.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Zhang, Hua; Zhu, Kong-Kai; Han, Ying-Shan; Luo, Cheng; Wainberg, Mark A.; Yue, Jian-Min","Flueggether A and Virosinine A, Anti-HIV Alkaloids from Flueggea virosa.","Organic letters","2015","17","24","6274","6277","10.1021/acs.orglett.5b03320","","","1.54178","CuKα","","0.0376","0.0372","","","0.098","0.0985","","","","","","1.045","","","","has coordinates,has disorder","238768","2020-10-21","18:00:00",""
"1556257","13.389","0.003","7.794","0.0019","13.881","0.003","90","","90.579","0.004","90","","1448.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Liu, Shan; Wu, Anxin","Direct regioselective oxidative cross-coupling of indoles with methyl ketones: a novel route to C3-dicarbonylation of indoles.","Organic letters","2015","17","1","134","137","10.1021/ol503366r","","","0.71073","MoKα","","0.0567","0.0398","","","0.1124","0.1252","","","","","","1.037","","","","has coordinates","243603","2020-10-21","18:00:00",""
"1556264","9.7994","0.0003","12.6632","0.0003","14.5262","0.0004","96.185","0.001","99.296","0.002","109.868","0.001","1647.14","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 B2 O6 -","- C34 H52 B2 O6 -","- C68 H104 B4 O12 -","2","1","","Metzler, Lukas; Reichenbach, Thomas; Brügner, Oliver; Komber, Hartmut; Lombeck, Florian; Müllers, Stefan; Hanselmann, Ralf; Hillebrecht, Harald; Walter, Michael; Sommer, Michael","High molecular weight mechanochromic spiropyran main chain copolymers via reproducible microwave-assisted Suzuki polycondensation","Polymer Chemistry","2015","6","19","3694","","10.1039/C5PY00141B","","","0.71073","MoKα","","0.0541","0.0423","","","0.1169","0.1214","","","","","","1.057","","","","has coordinates","243783","2020-10-21","18:00:00",""
"1556467","12.1981","0.0017","15.362","0.002","16.187","0.002","94.44","0.007","91.523","0.006","97.826","0.007","2993.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Co I2 N O P2 -","- C24 H41.5 Co I1.985 N O0.64 P2 -","- C96 H166 Co4 I7.94 N4 O2.56 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.126","0.0843","","","0.2068","0.2291","","","","","","1.078","","","","has coordinates,has disorder","244953","2020-10-21","18:00:00",""
"1556468","12.128","0.004","15.363","0.005","15.542","0.005","93.512","0.007","91.976","0.007","99.812","0.007","2845.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Cl2 Co N O P2 -","- C24 H43 Cl1.995 Co N O0.5 P2 -","- C96 H172 Cl7.98 Co4 N4 O2 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.2223","0.0977","","","0.1905","0.243","","","","","","1.029","","","","has coordinates,has disorder","244954","2020-10-21","18:00:00",""
"1556469","12.3039","0.0014","15.2593","0.0017","15.815","0.0018","94.088","0.007","91.371","0.006","99.49","0.007","2919.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Br2 Co N O P2 -","- C24.125 H43 Br1.9985 Co N O0.3085 P2 -","- C96.5 H172 Br7.994 Co4 N4 O1.234 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.1348","0.0881","","","0.1972","0.2209","","","","","","1.088","","","","has coordinates,has disorder","244955","2020-10-21","18:00:00",""
"1556470","17.1928","0.0004","11.2469","0.0003","18.0925","0.0004","90","","96.108","0.001","90","","3478.61","0.15","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","dpg26","","","- C37 H30 Au Cl2 Hg I P2 -","- C37 H30 Au Cl2 Hg I P2 -","- C148 H120 Au4 Cl8 Hg4 I4 P8 -","4","1","","Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.","[AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter","Inorganics","2015","3","","27","39","10.3390/inorganics3010027","","x-ray","0.71073","MoKα","","0.0377","0.0278","","","0.0635","0.0678","","","","","","1.027","","","","has coordinates","244956","2020-10-21","18:00:00",""
"1556471","11.8078","0.0009","8.3564","0.0007","21.0767","0.0018","90","","99.052","0.006","90","","2053.8","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(bpy)(cod)(Me)][SbF6]","Methyl-2,2'-bipyridine-1,5-cyclooctadieneplatinum(II) hexafluoroantimonate","","- C19 H23 F6 N2 Pt Sb -","- C19 H23 F6 N2 Pt Sb -","- C76 H92 F24 N8 Pt4 Sb4 -","4","1","","Klein, A.; Neugebauer, M.; Krest, A.; Luning, A.; Garbe, S.; Arefyeva, N.; Schlorer, N.","Five Coordinate Platinum(II) in [Pt(bpy)(cod)(Me)][SbF6]: A Structural and Spectroscopic Study","Inorganics","2015","3","","118","138","10.3390/inorganics3020118","","","0.71073","MoKα","","0.0675","0.0644","","","0.1613","0.1629","","","","","","1.187","","","","has coordinates","244957","2020-10-21","18:00:00",""
"1556472","11.1262","0.0009","14.692","0.0014","14.7874","0.0014","70.037","0.009","85.302","0.008","81.302","0.007","2244.7","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 B2 Ce N14 -","- C42 H59 B2 Ce N14 -","- C84 H118 B4 Ce2 N28 -","2","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","0.71073","MoKα","","0.0845","0.0642","","","0.1312","0.1414","","","","","","1.037","","","","has coordinates","244958","2020-10-21","18:00:00",""
"1556473","14.2034","0.0004","20.625","0.0007","17.1106","0.0006","90","","95.066","0.003","90","","4992.9","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 B2 Ce N14 O2 -","- C48 H68 B2 Ce N14 O2 -","- C192 H272 B8 Ce4 N56 O8 -","4","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","0.71073","MoKα","","0.0746","0.0523","","","0.1058","0.1163","","","","","","1.035","","","","has coordinates,has disorder","244958","2020-10-21","18:00:00",""
"1556474","10.0579","0.0004","13.3606","0.0006","13.6905","0.0007","87.438","0.004","73.681","0.004","71.869","0.004","1676.1","0.14","100.01","0.12","100.01","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C62 H90 B4 Ce2 N20 O4 -","- C50 H74 B4 Ce2 N20 O2 -","- C50 H74 B4 Ce2 N20 O2 -","1","0.5","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","1.54184","CuKα","","0.0496","0.0448","","","0.1119","0.1153","","","","","","1.04","","","","has coordinates","244958","2020-10-21","18:00:00",""
"1556475","11.2609","0.0003","12.5209","0.0003","16.7464","0.0004","105.035","0.002","96.314","0.002","112.313","0.003","2051.38","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H52 B2 Ce N15 -","- C37 H52 B2 Ce N15 -","- C74 H104 B4 Ce2 N30 -","2","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","x-ray","0.71073","MoKα","","0.0654","0.0515","","","0.1456","0.1518","","","","","","1.097","","","","has coordinates","244958","2020-10-21","18:00:00",""
"1556736","7.2016","0.0004","9.7603","0.0004","12.2829","0.0004","95.4952","0.0016","92.51","0.002","101.346","0.002","840.86","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H22 S Si2 -","- C13 H22 S Si2 -","- C26 H44 S2 Si4 -","2","1","YC5004","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.0762","0.0524","","","0.0532","0.0549","","","","2.49","2.49","2.27","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556737","34.148","0.006","6.869","0.0012","10.3442","0.0018","90","","98.343","0.008","90","","2400.7","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 S2 Si2 -","- C22 H30 S2 Si2 -","- C88 H120 S8 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0424","0.0307","","","0.0435","0.0442","","","","2.41","2.41","2.19","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556738","6.8197","0.0003","12.1073","0.0005","16.1123","0.0007","92.3607","0.0019","93.9781","0.0019","98.3425","0.0019","1311.34","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C44 H60 O8 S4 Si4 -","2","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0512","0.035","","","0.0436","0.0443","","","","2.5","2.5","2.15","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556739","7.3096","0.0002","11.3935","0.0003","18.7425","0.0006","73.167","0.002","105.319","0.002","118.926","0.002","1293.21","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C44 H60 O8 S4 Si4 -","2","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.1083","0.074","","","0.0911","0.0925","","","","3.68","3.68","3.05","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556740","5.73","0.0003","10.2961","0.0005","10.9801","0.0006","85.9433","0.0017","79.7181","0.0016","80.115","0.0015","627.39","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","- C22 H30 O4 S2 Si2 -","1","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0417","0.03","","","0.0386","0.0393","","","","2.39","2.39","2.19","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556741","34.344","0.002","8.1665","0.0005","20.0791","0.0012","90","","100.532","0.002","90","","5536.7","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 O2 S3 Si2 -","- C22 H32 O2 S3 Si2 -","- C176 H256 O16 S24 Si16 -","8","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.0691","0.0489","","","0.058","0.0588","","","","3.43","3.43","3.02","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556742","33.63","0.01","8.271","0.002","19.717","0.006","90","","90","","90","","5484","3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H32 O2 S3 Si2 -","- C22 H32 O2 S3 Si2 -","- C176 H256 O16 S24 Si16 -","8","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.1288","0.0869","","","0.0816","0.0848","","","","3.8","3.8","3.22","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556743","31.8766","0.0008","8.4003","0.0005","10.0737","0.0003","90","","95.684","0.002","90","","2684.2","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 O2 S3 Si2 -","- C22 H30 O2 S3 Si2 -","- C88 H120 O8 S12 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.1097","0.0628","","","0.0639","0.0669","","","","2.95","2.95","2.36","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556744","10.5399","0.0004","13.8276","0.0005","19.9987","0.0008","79.94","0.002","84.589","0.002","89.771","0.002","2856.81","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 O8 S3 Si2 -","- C22 H30 O8 S3 Si2 -","- C88 H120 O32 S12 Si8 -","4","2","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.053","0.0372","","","0.0413","0.0422","","","","2.12","2.12","1.96","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556745","7.7849","0.0004","10.5146","0.0005","31.2712","0.0014","90","","90","","90","","2559.7","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 S2 Si2 -","- C22 H38 S2 Si2 -","- C88 H152 S8 Si8 -","4","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.028","0.0267","","","0.0399","0.04","","","","2.75","2.75","2.72","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556746","34.443","0.003","6.7415","0.0004","10.1978","0.0008","90","","96.889","0.005","90","","2350.8","0.3","100","","100","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H28 S3 Si2 -","- C20 H28 S3 Si2 -","- C80 H112 S12 Si8 -","4","0.5","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71069","MoKα","","0.1095","0.078","","","0.0608","0.0625","","","","2.84","2.84","2.56","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556760","6.5133","0.0003","8.1853","0.0005","11.4965","0.0006","103.458","0.005","93.925","0.004","113.018","0.005","539.85","0.06","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0324","0.0306","","","0.0819","0.0836","","","","","","1.056","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556761","6.7358","0.0008","6.9119","0.0008","12.3937","0.0009","74.468","0.009","85.298","0.008","73.28","0.01","532.43","0.1","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0579","0.0539","","","0.1454","0.1472","","","","","","1.256","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556762","6.7323","0.0002","12.1142","0.0005","21.2077","0.0008","90","","97.146","0.003","90","","1716.19","0.11","100","2","100","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O10 -","- C18 H17 N O10 -","- C72 H68 N4 O40 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0557","0.0439","","","0.0911","0.0963","","","","","","1.076","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556763","7.0213","0.0003","8.8214","0.0004","25.1416","0.0012","90","","90","","90","","1557.21","0.12","130","2","130","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O9 -","- C15 H16 N2 O9 -","- C60 H64 N8 O36 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0451","0.0393","","","0.0913","0.0958","","","","","","1.043","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556764","4.9225","0.0004","11.7839","0.001","13.854","0.0016","97.248","0.008","96.773","0.008","90.663","0.006","791.35","0.13","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C15 H16 N2 O9 -","- C15 H16 N2 O9 -","- C30 H32 N4 O18 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.1174","0.1002","","","0.2315","0.2373","","","","","","1.103","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556765","9.3161","0.0005","11.2092","0.0003","13.7362","0.0007","102.926","0.003","104.398","0.004","96.571","0.003","1332.01","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O17 -","- C25 H29 N O17 -","- C50 H58 N2 O34 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","","0.71073","MoKα","","0.0787","0.074","","","0.1716","0.1737","","","","","","1.207","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556766","10.8426","0.0008","6.5202","0.0004","16.1326","0.0013","90","","106.391","0.008","90","","1094.16","0.14","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C44 H36 N4 O20 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.107","0.1187","","","","","","1.029","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556767","12.5506","0.0004","6.6807","0.0002","26.1586","0.0008","90","","98.815","0.003","90","","2167.41","0.12","100","2","100","2","","","","","","","see text","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 N O6 -","- C11 H9 N O6 -","- C88 H72 N8 O48 -","8","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0567","0.0533","","","0.1334","0.1359","","","","","","1.164","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556768","9.3796","0.001","10.3981","0.0012","15.6415","0.0016","80.62","0.009","72.913","0.009","66.089","0.01","1331.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N O17 -","- C25 H27 N O17 -","- C50 H54 N2 O34 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","","0.71073","","","0.1272","0.0678","","","0.1569","0.1752","","","","","","0.908","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556769","40.692","0.003","5.4524","0.0003","16.3546","0.0009","90","","90","","90","","3628.6","0.4","100","2","100","2","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C152 H152 N8 O64 -","8","2","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0573","0.0483","","","0.1016","0.1079","","","","","","1.027","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556770","6.6761","0.0003","9.1128","0.0004","10.9447","0.0004","93.397","0.003","107.694","0.003","108.173","0.004","593.92","0.05","100","2","100","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C24 H26 N2 O12 -","2","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0334","0.0312","","","0.0869","0.0884","","","","","","1.058","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556771","18.451","0.009","10.54","0.005","8.157","0.004","90","","98.824","0.012","90","","1567.5","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1061","0.0549","","","0.1549","0.193","","","","","","1.098","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556772","17.899","0.003","4.8544","0.0009","9.5259","0.0016","90","","101.847","0.004","90","","810.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0551","0.0373","","","0.0707","0.1071","","","","","","1.214","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556773","20.243","0.005","4.9756","0.0014","20.839","0.006","90","","99.148","0.008","90","","2072.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1751","0.0785","","","0.1635","0.2013","","","","","","0.95","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556774","4.7315","0.001","9.213","0.002","16.39","0.004","90","","97.02","0.006","90","","709.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0536","0.0401","","","0.1211","0.1319","","","","","","0.969","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556775","9.353","0.0006","10.9015","0.0007","19.9985","0.0014","90","","94.547","0.002","90","","2032.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.099","0.0638","","","0.1882","0.203","","","","","","1.279","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556776","7.6364","0.0014","30.058","0.005","4.8885","0.0009","90","","95.523","0.006","90","","1116.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H26 N4 O4 -","- C44 H52 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.2052","0.0714","","","0.166","0.1999","","","","","","0.901","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556777","10.403","0.006","7.16","0.004","19.202","0.011","90","","101.156","0.017","90","","1403.2","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.121","0.043","","","0.0749","0.0801","","","","","","1.677","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556778","34.566","0.005","9.3338","0.0013","10.4191","0.0015","90","","100.401","0.004","90","","3306.3","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C144 H144 N32 O16 -","8","1","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0797","0.0585","","","0.1745","0.1886","","","","","","1.367","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556779","4.7967","0.0015","11.547","0.004","14.726","0.005","90","","96.451","0.01","90","","810.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.223","0.0646","","","0.1131","0.1403","","","","","","0.897","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556780","12.78","0.02","4.681","0.009","16.21","0.03","90","","93.42","0.03","90","","968","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.1335","0.0853","","","0.2055","0.2241","","","","","","0.947","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556781","7.372","0.0007","4.9035","0.0004","31.586","0.003","90","","90.197","0.003","90","","1141.78","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C44 H60 N8 O8 -","2","0.5","","Garai, Mousumi; Biradha, Kumar","Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.","IUCrJ","2015","2","Pt 5","523","533","10.1107/S2052252515009987","","","0.71073","MoKα","","0.0709","0.0599","","","0.2015","0.2079","","","","","","1.596","","","","has coordinates","246056","2020-10-21","18:00:00",""
"1556782","13.9735","0.0009","17.2451","0.0011","13.6166","0.0008","90","","105.489","0.002","90","","3162.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CS—AS-9‒3 4-I—F4-PhCHO oxime, 4-(Me2N)-pyridine","","- C14 H12 F4 I N3 O -","- C14 H12 F4 I N3 O -","- C112 H96 F32 I8 N24 O8 -","8","2","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0629","0.0431","","","0.1019","0.1109","","","","","","1.001","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556783","7.809","0.0011","9.6156","0.0014","11.452","0.0018","101.314","0.005","94.225","0.005","113.541","0.004","761.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","S—AV-14‒5 4-Br-PhCH(=NOH), 4-(1-pyrrolidinyl)-pyridine","","- C16 H18 Br N3 O -","- C16 H18 Br N3 O -","- C32 H36 Br2 N6 O2 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0397","0.0294","","","0.0706","0.0782","","","","","","1.106","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556784","9.3718","0.0006","9.6497","0.0006","14.1666","0.0009","98.672","0.003","105.769","0.002","110.884","0.003","1107.38","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","SD-1‒27-6‒4 4-(1-pyrrolidinyl)-pyridine, (4-Br-PhCOOH)2","","- C23 H22 Br2 N2 O4 -","- C23 H22 Br2 N2 O4 -","- C46 H44 Br4 N4 O8 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0999","0.0582","","","0.1139","0.1288","","","","","","1.043","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556785","13.5603","0.0012","8.17","0.0008","12.2863","0.0012","90","","92.157","0.003","90","","1360.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","D-1‒27-6‒2 4-(Me2N)-pyridine, 4-Br-PhCOOH","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0402","0.0282","","","0.0632","0.0671","","","","","","1.049","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556786","25.216","0.002","6.0746","0.0005","19.0419","0.0016","90","","107.453","0.003","90","","2782.5","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","SD—A-1‒4 4-I—F4-PhCOOH, 4-benzoylpyridine","","- C31 H19 F4 I N2 O4 -","- C31 H19 F4 I N2 O4 -","- C124 H76 F16 I4 N8 O16 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.09","0.0832","","","0.213","0.2173","","","","","","1.198","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556787","6.2888","0.0005","7.4027","0.0006","8.1348","0.0006","84.773","0.003","82.604","0.003","83.781","0.002","372.2","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CS—AE-5‒12 4-iodobenzoic acid, 4,4'-bipyridyl","","- C17 H13 I N2 O2 -","- C17 H13 I N2 O2 -","- C17 H13 I N2 O2 -","1","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0247","0.0232","","","0.0558","0.0563","","","","","","1.051","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556788","10.7653","0.0005","7.3634","0.0004","11.4066","0.0006","90","","109.025","0.002","90","","854.8","0.08","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","SD—A-1‒5 4-iodobenzoic acid, 1,2-bis(4-pyridyl)ethane","","- C19 H17 I N2 O2 -","- C19 H17 I N2 O2 -","- C38 H34 I2 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0703","0.0577","","","0.1428","0.1498","","","","","","1.117","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556789","4.4175","0.0004","12.5878","0.0013","13.4274","0.0014","80.827","0.004","82.672","0.003","87.809","0.004","730.96","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1‒20-12‒7 4-Br—F4-PhOH, 2,3,5,6-Me4-pyrazine","","- C14 H13 Br F4 N2 O -","- C14 H13 Br F4 N2 O -","- C28 H26 Br2 F8 N4 O2 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0681","0.0504","","","0.1241","0.137","","","","","","1.052","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556790","4.8727","0.0003","10.7621","0.0007","16.595","0.001","87.808","0.002","85.332","0.002","83.646","0.002","861.66","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1‒22-2‒5 4-Br—F4-PhCOOH, 1,2-bis(4-pyridyl)ethane","","- C19 H13 Br F4 N2 O2 -","- C19 H13 Br F4 N2 O2 -","- C38 H26 Br2 F8 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0414","0.0332","","","0.0772","0.082","","","","","","1.044","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556791","4.1573","0.0002","14.8817","0.0008","26.2084","0.0013","90","","91.345","0.001","90","","1621.01","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD-1‒20-9‒7 4-I—F4-PhCH=NOH, Me4-pyrazine","","- C15 H14 F4 I N3 O -","- C15 H14 F4 I N3 O -","- C60 H56 F16 I4 N12 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.029","0.0263","","","0.0689","0.0699","","","","","","1.227","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556792","6.2801","0.0009","11.2226","0.0015","26.846","0.004","90","","95.661","0.004","90","","1882.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AS-9‒11 4-I—F4-PhCHO oxime, 1,2-bis(4-pyridyl)ethane","","- C19 H14 F4 I N3 O -","- C19 H14 F4 I N3 O -","- C76 H56 F16 I4 N12 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0383","0.0287","","","0.0731","0.0787","","","","","","1.026","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556793","17.5616","0.001","14.8078","0.0009","6.1199","0.0003","90","","90","","90","","1591.47","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","SD-1‒8-1‒7 4-I—F4-PhCOOH, 2,3,5,6-Me4-pyrazine","","- C15 H13 F4 I N2 O2 -","- C15 H13 F4 I N2 O2 -","- C60 H52 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0727","0.0508","","","0.1326","0.1539","","","","","","1.066","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556794","12.1699","0.0006","11.1933","0.0006","12.2448","0.0006","90","","104.562","0.002","90","","1614.42","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD—A-5‒6 4-I—F4-PhCOOH, 4,4'-bipyridyl","","- C17 H9 F4 I N2 O2 -","- C17 H9 F4 I N2 O2 -","- C68 H36 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0256","0.0221","","","0.0561","0.0587","","","","","","1.055","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556795","7.1108","0.0004","7.4624","0.0004","11.2299","0.0006","93.434","0.002","94.022","0.002","103.373","0.002","576.53","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","SD-1‒27-6‒5 1,2-bis(4-pyridyl)ethane, (4-Br-PhCOOH)2","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","1","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0529","0.0388","","","0.0986","0.1065","","","","","","1.021","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556796","11.0467","0.0006","28.9658","0.0018","10.7956","0.0007","90","","110.603","0.002","90","","3233.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CS—AL-6‒12 4,4'-bipyridyl, (4-Br-PhCOOH)2","","- C24 H18 Br2 N2 O4 -","- C24 H18 Br2 N2 O4 -","- C144 H108 Br12 N12 O24 -","6","1.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.1333","0.0603","","","0.1319","0.1604","","","","","","1","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556797","5.837","0.0003","12.8464","0.0005","18.1146","0.0008","103.537","0.002","96.861","0.002","93.06","0.002","1306.46","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","SD-1‒20-10‒8 (4-Br—F4-PhCH=NOH,)2 1,2-bis(4-pyridyl)ethylene","","- C26 H14 Br2 F8 N4 O2 -","- C26 H14 Br2 F8 N4 O2 -","- C52 H28 Br4 F16 N8 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","1.54178","CuKα","","0.0339","0.0306","","","0.0984","0.1037","","","","","","0.862","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556798","13.6342","0.0015","5.8333","0.0006","13.3118","0.0014","90","","90.944","0.007","90","","1058.58","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD-1‒20-12‒6 (4-Br—F4-PhOH)2, 4,4-bipyridyl","","- C22 H10 Br2 F8 N2 O2 -","- C22 H10 Br2 F8 N2 O2 -","- C44 H20 Br4 F16 N4 O4 -","2","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.074","0.0441","","","0.1007","0.113","","","","","","1.057","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556799","25.9125","0.0016","4.6925","0.0003","20.0909","0.0012","90","","103.464","0.003","90","","2375.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","SD-1‒20-12‒5, 4-Br—F4-PhOH, 1,2-bis(4-pyridyl)ethane","","- C24 H14 Br2 F8 N2 O2 -","- C24 H14 Br2 F8 N2 O2 -","- C96 H56 Br8 F32 N8 O8 -","4","0.5","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0591","0.0385","","","0.0989","0.1085","","","","","","1.052","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556800","11.701","0.002","4.6121","0.0009","21.594","0.004","90","","103.591","0.006","90","","1132.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AP-11‒16 pyrazine 1-oxide, 4-I—F4-PhOH","","- C10 H5 F4 I N2 O2 -","- C10 H5 F4 I N2 O2 -","- C40 H20 F16 I4 N8 O8 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0287","0.0238","","","0.0596","0.0625","","","","","","1.009","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556801","12.7258","0.0015","4.9322","0.0006","20.729","0.002","90","","106.074","0.003","90","","1250.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AP-11‒2 4-I—F4-PhOH, isonicotinonitrile","","- C12 H5 F4 I N2 O -","- C12 H5 F4 I N2 O -","- C48 H20 F16 I4 N8 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0354","0.0317","","","0.083","0.087","","","","","","1.098","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556802","4.2485","0.0003","11.6204","0.0008","13.8288","0.001","110.206","0.002","95.97","0.001","98.531","0.001","624.68","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","SD-1‒8-1‒10 4-I—F4-PhCOOH, pyrazine 1-oxide","","- C11 H5 F4 I N2 O3 -","- C11 H5 F4 I N2 O3 -","- C22 H10 F8 I2 N4 O6 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0186","0.0181","","","0.0469","0.0472","","","","","","1.05","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556803","7.4234","0.0003","35.8851","0.0018","10.0949","0.0005","90","","101.028","0.002","90","","2639.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SD—A-5‒1 4-I—F4-PhCOOH, isonicotinonitrile","","- C13 H5 F4 I N2 O2 -","- C13 H5 F4 I N2 O2 -","- C104 H40 F32 I8 N16 O16 -","8","2","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0685","0.0476","","","0.1105","0.1224","","","","","","1.059","","","","has coordinates,has disorder","246058","2020-10-21","18:00:00",""
"1556804","7.363","0.0012","7.48","0.0012","12.446","0.002","80.617","0.008","84.893","0.007","62.018","0.005","597.17","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CS—AL-6‒2 4-Br-PhCOOH, isonicotinonitrile","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C26 H18 Br2 N4 O4 -","2","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0635","0.0499","","","0.1258","0.1351","","","","","","1.05","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556805","12.2763","0.0019","5.0037","0.0008","20.666","0.003","90","","106.425","0.004","90","","1217.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CS—AQ-12‒2 4-Br—F4-PhOH, isonicotinonitrile","","- C12 H5 Br F4 N2 O -","- C12 H5 Br F4 N2 O -","- C48 H20 Br4 F16 N8 O4 -","4","1","","Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John","A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.","IUCrJ","2015","2","Pt 5","498","510","10.1107/S2052252515010854","","","0.71073","MoKα","","0.0532","0.0423","","","0.108","0.1149","","","","","","1.059","","","","has coordinates","246058","2020-10-21","18:00:00",""
"1556806","26.7965","0.0005","7.1599","0.0001","14.1519","0.0003","90","","90","","90","","2715.19","0.09","20","2","20","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.35312","Synchrotron,monochromatic","","0.049","0.02","","","","0.039","","","","","","1.043","","","","has coordinates","246059","2020-10-21","18:00:00",""
"1556807","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt","Quantitative analysis of intermolecular interactions in orthorhombic rubrene.","IUCrJ","2015","2","Pt 5","563","574","10.1107/S2052252515012130","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.502","","","","has coordinates","246059","2020-10-21","18:00:00",""
"1559836","9.493","0.004","9.493","0.004","6.852","0.005","90","","90","","120","","534.8","0.5","571","2","571","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- O13 Si3 Tb4.66 -","- O13 Si3 Tb4.656 -","- O26 Si6 Tb9.312 -","2","0.166667","","Chen, Pengyun; Li, R.K.","Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13","Journal of Alloys and Compounds","2015","622","","859","864","10.1016/j.jallcom.2014.10.159","","","0.71073","MoKα","","0.0373","0.0319","","","0.057","0.0591","","","","","","1.149","","","","has coordinates","260053","2020-12-21","17:40:08",""
"1559837","9.2569","0.001","9.2569","0.001","6.8297","0.0012","90","","90","","120","","506.83","0.12","298","2","298.15","","","","","","","","","4","P 63/m","-P 6c","176","","","","- B O13 Si2 Tb5 -","- B0.9999 O13 Si2.0001 Tb5 -","- B1.9998 O26 Si4.0002 Tb10 -","2","0.166667","","Chen, Pengyun; Li, R.K.","Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13","Journal of Alloys and Compounds","2015","622","","859","864","10.1016/j.jallcom.2014.10.159","","","0.71073","MoKα","","0.0424","0.0396","","","0.0809","0.0821","","","","","","1.281","","","","has coordinates","260054","2020-12-21","17:45:39",""
"1560193","15.0063","0.0009","14.1711","0.0008","17.7959","0.0011","90","","91.705","0.001","90","","3782.7","0.4","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H41 N3 O6 Zn -","- C44 H41 N3 O6 Zn -","- C176 H164 N12 O24 Zn4 -","4","2","","Hijazi Abu Ali; Hadeel Fares; Mohanad Darawsheh; Emilia Rappocciolo; Mutaz Akkawi; Suhair Jaber","Synthesis, characterization and biological activity of new mixed ligand complexes of Zn(II) naproxen with nitrogen based ligands","European Journal of Medicinal Chemistry","2015","89","","67","76","10.1016/j.ejmech.2014.10.032","","","0.71073","MoKα","","0.0978","0.0698","","","0.1714","0.1878","","","","","","0.993","","","","has coordinates","261185","2021-01-25","09:30:53",""
"1561684","18.5696","0.0006","18.5696","0.0006","12.0128","0.0006","90","","90","","120","","3587.4","0.2","103","2","103","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C27 H9 Co3 O18 -","- C27 H9 Co3 O18 -","- C81 H27 Co9 O54 -","3","0.5","","Yu, Xianglin; Toh, Yong Siang; Zhao, Jun; Nie, Lina; Ye, Kaiqi; Wang, Yue; Li, Dongsheng; Zhang, Qichun","Surfactant-thermal method to prepare two new cobalt metal-organic frameworks","Journal of Solid State Chemistry","2015","232","","14","18","10.1016/j.jssc.2015.08.048","","","0.71073","MoKα","","0.0715","0.0456","","","0.1096","0.1202","","","","","","0.991","","","","has coordinates,has disorder","264083","2021-04-13","09:25:54",""
"1561685","9.5837","0.0003","12.643","0.0003","13.9294","0.0004","90","","110.093","0.0011","90","","1585.05","0.08","103","2","103","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H11 Co3 O18 -","- C27 H11 Co3 O18 -","- C54 H22 Co6 O36 -","2","0.5","","Yu, Xianglin; Toh, Yong Siang; Zhao, Jun; Nie, Lina; Ye, Kaiqi; Wang, Yue; Li, Dongsheng; Zhang, Qichun","Surfactant-thermal method to prepare two new cobalt metal-organic frameworks","Journal of Solid State Chemistry","2015","232","","14","18","10.1016/j.jssc.2015.08.048","","","0.71073","MoKα","","0.0378","0.0321","","","0.085","0.0872","","","","","","1.15","","","","has coordinates,has disorder","264084","2021-04-13","09:27:37",""
"1561686","26.92","0.02","8.139","0.006","8.981","0.007","90","","90","","90","","1968","3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba3 Cl K S9 Sb4 -","- Ba3 Cl K S9 Sb4 -","- Ba12 Cl4 K4 S36 Sb16 -","4","0.5","","Zhao, Hua-Jun; Liu, Peng-Fei","Synthesis, crystal and electronic structure, and optical property of the pentanary chalcohalide Ba3KSb4S9Cl","Journal of Solid State Chemistry","2015","232","","37","41","10.1016/j.jssc.2015.08.047","","","0.71073","MoKα","","0.0422","0.0381","","","0.0885","0.0912","","","","","","1.115","","","","has coordinates,has Fobs","264085","2021-04-13","09:32:12",""
"1561687","8.6589","0.0017","9.0853","0.0018","11.732","0.002","104.15","0.03","98.59","0.03","117.46","0.03","756.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Co3 N22 O10 -","- C14 H20 Co3 N22 O10 -","- C14 H20 Co3 N22 O10 -","1","0.5","","Hu, Bo-Wen; Zheng, Xiang-Yu; Ding, Cheng","Metal‒organic coordination architectures of tetrazole heterocycle ligands bearing acetate groups: Synthesis, characterization and magnetic properties","Journal of Solid State Chemistry","2015","232","","62","66","10.1016/j.jssc.2015.08.049","","","0.71073","MoKα","","0.1339","0.1053","","","0.259","0.2744","","","","","","1.16","","","","has coordinates","264086","2021-04-13","09:41:37",""
"1561688","14.406","0.003","8.3832","0.0017","9.4782","0.0019","90","","118.56","0.03","90","","1005.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N8 O4 -","- C6 H6 Co N8 O4 -","- C24 H24 Co4 N32 O16 -","4","0.5","","Hu, Bo-Wen; Zheng, Xiang-Yu; Ding, Cheng","Metal‒organic coordination architectures of tetrazole heterocycle ligands bearing acetate groups: Synthesis, characterization and magnetic properties","Journal of Solid State Chemistry","2015","232","","62","66","10.1016/j.jssc.2015.08.049","","","0.71073","MoKα","","0.0502","0.0388","","","0.0725","0.0755","","","","","","1.133","","","","has coordinates","264086","2021-04-13","09:41:37",""
"1561689","14.126","0.003","14.126","0.003","28.683","0.006","90","","90","","90","","5724","2","113","2","113","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C24 H12 Co2 N11 O5 -","- C24 H12 Co2 N11 O5 -","- C96 H48 Co8 N44 O20 -","4","0.25","","Ren, Guo-Jian; Liu, Yan-Qing; Liu, Sui-Jun","Two novel metal-organic frameworks based on linear dicarboxylic acid and 5-(4-pyridyl)tetrazole","Journal of Solid State Chemistry","2015","232","","79","82","10.1016/j.jssc.2015.09.005","","","0.71073","MoKα","","0.1021","0.0817","","","0.2338","0.2544","","","","","","1.121","","","","has coordinates","264087","2021-04-13","09:45:31",""
"1561690","14.2323","0.0009","14.2323","0.0009","28.235","0.003","90","","90","","90","","5719.2","0.8","113","2","113","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C24 H8 Co2 N12 O5 -","- C24 H8 Co2 N12 O5 -","- C96 H32 Co8 N48 O20 -","4","0.25","","Ren, Guo-Jian; Liu, Yan-Qing; Liu, Sui-Jun","Two novel metal-organic frameworks based on linear dicarboxylic acid and 5-(4-pyridyl)tetrazole","Journal of Solid State Chemistry","2015","232","","79","82","10.1016/j.jssc.2015.09.005","","","0.71073","MoKα","","0.1486","0.0589","","","0.152","0.1695","","","","","","0.804","","","","has coordinates","264087","2021-04-13","09:45:34",""
"1561691","16.172","0.004","16.172","0.004","16.423","0.007","90","","90","","120","","3720","2","113","2","113","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H50.4 N2 O15.2 Zn3 -","- C55.92 H30 N1.98 O15.18 Zn3 -","- C167.76 H90 N5.94 O45.54 Zn9 -","3","0.166667","","Yu, Zongchao; Wang, Fengqin; Lin, Xiangyi; Wang, Chengmiao; Fu, Yiyuan; Wang, Xiaojun; Zhao, Yongnan; Li, Guodong","Selective fluorescence sensors for detection of nitroaniline and metal Ions based on ligand-based luminescent metal-organic frameworks","Journal of Solid State Chemistry","2015","232","","96","101","10.1016/j.jssc.2015.09.010","","","0.71073","MoKα","","0.0505","0.0457","","","0.1255","0.1299","","","","","","1.075","","","","has coordinates,has disorder","264088","2021-04-13","10:01:50",""
"1561692","10.6374","0.0005","35.6605","0.0014","21.6572","0.001","90","","102.264","0.004","90","","8027.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 Ag3 N12 O40 P W12 -","- C60 H48 Ag3 N12 O40 P W12 -","- C240 H192 Ag12 N48 O160 P4 W48 -","4","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Lu, Chen; Chen, Xin; Zhang, Hong","Assembly of three new POM-based Ag(I) coordination polymers with antibacterial and photocatalytic properties","Journal of Solid State Chemistry","2015","232","","123","130","10.1016/j.jssc.2015.09.017","","","0.71073","MoKα","","0.0812","0.0434","","","0.0699","0.0836","","","","","","0.982","","","","has coordinates","264089","2021-04-13","10:10:09",""
"1561693","31.439","0.007","11.5223","0.0007","23.172","0.005","90","","133.22","0.04","90","","6117","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Ag5 N18 O44 P W12 -","- C24 H20 Ag5 N18 O44 P W12 -","- C96 H80 Ag20 N72 O176 P4 W48 -","4","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Lu, Chen; Chen, Xin; Zhang, Hong","Assembly of three new POM-based Ag(I) coordination polymers with antibacterial and photocatalytic properties","Journal of Solid State Chemistry","2015","232","","123","130","10.1016/j.jssc.2015.09.017","","","0.71073","MoKα","","0.0593","0.0476","","","0.1067","0.1152","","","","","","1.097","","","","has coordinates","264089","2021-04-13","10:10:10",""
"1561694","10.576","0.0007","22.672","0.005","12.439","0.0007","90","","100.79","0.03","90","","2929.9","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","- C48 H32 Ag14 N40 O80 P2 W24 -","2","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Lu, Chen; Chen, Xin; Zhang, Hong","Assembly of three new POM-based Ag(I) coordination polymers with antibacterial and photocatalytic properties","Journal of Solid State Chemistry","2015","232","","123","130","10.1016/j.jssc.2015.09.017","","","0.71073","MoKα","","0.0834","0.0686","","","0.1705","0.1908","","","","","","1.082","","","","has coordinates","264089","2021-04-13","10:10:10",""
"1561695","11.3584","0.0012","8.6091","0.0009","13.6816","0.0014","90","","93.456","0.002","90","","1335.4","0.2","283","2","283","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K2 O12 Se4 Zn3 -","- K2 O12 Se4 Zn3 -","- K8 O48 Se16 Zn12 -","4","0.5","","Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong","Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)","Journal of Solid State Chemistry","2015","232","","193","199","10.1016/j.jssc.2015.09.033","","","0.71073","MoKα","","0.0493","0.032","","","0.0636","0.0705","","","","","","1.088","","","","has coordinates","264090","2021-04-13","10:16:54",""
"1561696","8.123","0.004","9.139","0.004","7.938","0.003","90","","112.838","0.009","90","","543.1","0.4","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O14 Se4 Zn3 -","- O14 Se4 Zn3 -","- O28 Se8 Zn6 -","2","0.5","","Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong","Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)","Journal of Solid State Chemistry","2015","232","","193","199","10.1016/j.jssc.2015.09.033","","","0.71073","MoKα","","0.0267","0.0238","","","0.077","0.0787","","","","","","1.142","","","","has coordinates","264091","2021-04-13","10:17:59",""
"1561697","15.794","0.0018","6.5744","0.0008","14.6787","0.0017","90","","107.396","0.003","90","","1454.5","0.3","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H4 Na2 O14 Se4 Zn3 -","- H4 Na2 O14 Se4 Zn3 -","- H16 Na8 O56 Se16 Zn12 -","4","0.5","","Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong","Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)","Journal of Solid State Chemistry","2015","232","","193","199","10.1016/j.jssc.2015.09.033","","","0.71073","MoKα","","0.0412","0.0268","","","0.0498","0.0535","","","","","","1.038","","","","has coordinates","264092","2021-04-13","10:19:08",""
"1561698","10.005","0.003","7.833","0.002","19.18","0.005","90","","90","","90","","1503.1","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu O10 Re2 -","- C6 H16 Cu O10 Re2 -","- C24 H64 Cu4 O40 Re8 -","4","0.5","","Mikhailova, D.; Engel, J.M.; Schmidt, M.; Tsirlin, A.A.; Ehrenberg, H.","Copper(II) perrhenate Cu(C3H7OH)2(ReO4)2: Synthesis from isopropanol and CuReO4, structure and properties","Journal of Solid State Chemistry","2015","232","","264","269","10.1016/j.jssc.2015.08.042","","","0.71073","MoKα","","0.1303","0.0355","","","0.0338","0.0429","","","","","","0.803","","","","has coordinates","264093","2021-04-13","11:39:53",""
"1561709","18.064","0.003","6.9578","0.0012","11.446","0.002","90","","107.711","0.004","90","","1370.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- F Na3 O4 S -","- F Na3 O4 S -","- F12 Na36 O48 S12 -","12","3","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Krivovichev, Sergey V.","Order‒disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F","Journal of Solid State Chemistry","2015","231","","42","46","10.1016/j.jssc.2015.07.033","","","0.71073","MoKα","","0.0797","0.0581","","","0.1639","0.1813","","","","","","1.073","","","","has coordinates","264120","2021-04-14","07:07:09",""
"1561710","6.9814","0.001","6.9814","0.001","24.691","0.003","90","","90","","120","","1042.2","0.2","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- F1.5 Na4.5 O6 S1.5 -","- F1.5 Na4.5 O6 S1.5 -","- F9 Na27 O36 S9 -","6","0.166667","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Krivovichev, Sergey V.","Order‒disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F","Journal of Solid State Chemistry","2015","231","","42","46","10.1016/j.jssc.2015.07.033","","","0.71073","MoKα","","0.0644","0.0572","","","0.1692","0.1745","","","","","","1.212","","","","has coordinates","264120","2021-04-14","07:07:15",""
"1561711","9.2754","0.0006","6.9509","0.0004","22.0481","0.0013","90","","93.329","0.002","90","","1419.09","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 Mg N O8 -","- C32 H33 Mg N O8 -","- C64 H66 Mg2 N2 O16 -","2","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0527","0.0465","","","0.1046","0.1079","","","","","","1.146","","","","has coordinates,has disorder","264121","2021-04-14","07:11:05",""
"1561712","9.3196","0.0015","7.0236","0.0011","22.067","0.004","90","","93.105","0.004","90","","1442.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 Mg N O8 -","- C32 H33 Mg N O8 -","- C64 H66 Mg2 N2 O16 -","2","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0383","0.034","","","0.0824","0.0855","","","","","","1.103","","","","has coordinates,has disorder","264121","2021-04-14","07:11:08",""
"1561713","15.6909","0.0008","43.795","0.002","7.7177","0.0004","90","","90","","90","","5303.5","0.5","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H27 N O5 Zn -","- C32 H27 N O5 Zn -","- C256 H216 N8 O40 Zn8 -","8","1","","Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei","Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers","Journal of Solid State Chemistry","2015","231","","47","52","10.1016/j.jssc.2015.08.003","","","0.71073","MoKα","","0.0565","0.0405","","","0.0784","0.0845","","","","","","1.005","","","","has coordinates","264121","2021-04-14","07:11:13",""
"1561714","6.316","","7.755","","8.988","","90","","90","","90","","440.237","","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- Fe H4 O6 S -","- Fe H4 O6 S -","- Fe4 H16 O24 S4 -","4","0.5","","Zhao, Long; Liu, Wei; Cao, Lixin; Su, Ge; Gao, Rongjie; Yang, Hongzhan","A new member of ferrous sulfates, FeSO4·2H2O with PtS topology showing spin-canted long-range antiferromagnetic ordering","Journal of Solid State Chemistry","2015","231","","58","63","10.1016/j.jssc.2015.07.036","","","0.71073","MoKα","","0.0369","0.0359","","","0.1277","0.129","","","","","","1.046","","","","has coordinates","264122","2021-04-14","07:17:53",""
"1561715","21.523","0.002","22.114","0.002","8.7346","0.0009","90","","95.576","0.001","90","","4137.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F6 O8 Zn2 -","- C19 H14 F6 O8 Zn2 -","- C152 H112 F48 O64 Zn16 -","8","1","","Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang","Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","231","","70","79","10.1016/j.jssc.2015.08.006","","","0.71073","MoKα","","0.0352","0.0268","","","0.0642","0.0689","","","","","","1.058","","","","has coordinates","264123","2021-04-14","07:22:46",""
"1561716","7.1037","0.0006","12.7915","0.001","31.132","0.003","90","","90","","90","","2828.9","0.4","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C29 H22 F6 N2 O7 Zn -","- C29 H22 F6 N2 O7 Zn -","- C116 H88 F24 N8 O28 Zn4 -","4","1","","Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang","Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","231","","70","79","10.1016/j.jssc.2015.08.006","","","0.71073","MoKα","","0.0393","0.0318","","","0.0785","0.0823","","","","","","1.031","","","","has coordinates","264123","2021-04-14","07:22:47",""
"1561717","8.5455","0.0006","17.1099","0.0012","27.4862","0.0018","87.23","0.001","87.255","0.001","86.949","0.001","4004.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H54 F18 N4 O19 Zn3 -","- C81 H54 F18 N4 O19 Zn3 -","- C162 H108 F36 N8 O38 Zn6 -","2","1","","Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang","Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","231","","70","79","10.1016/j.jssc.2015.08.006","","","0.71073","MoKα","","0.0599","0.036","","","0.074","0.0828","","","","","","1.019","","","","has coordinates","264123","2021-04-14","07:22:47",""
"1561718","20.719","0.005","11.962","","38.552","0.008","90","","90","","90","","9555","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 F12 N2 O12 Zn2 -","- C48 H32 F12 N2 O12 Zn2 -","- C384 H256 F96 N16 O96 Zn16 -","8","1","","Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang","Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","231","","70","79","10.1016/j.jssc.2015.08.006","","","0.71073","MoKα","","0.086","0.0436","","","0.0869","0.1026","","","","","","1.053","","","","has coordinates","264123","2021-04-14","07:22:47",""
"1561719","14.0652","0.0004","5.8601","0.0002","21.268","0.0006","90","","95.213","0.002","90","","1745.73","0.09","173","0.2","173","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Ba N O7 S -","- C17 H15 Ba N O7 S -","- C68 H60 Ba4 N4 O28 S4 -","4","1","","Halake, Shobha; Ok, Kang Min","Crystal growth, differential gas adsorption, high thermal stability, and reversible coordination of two new barium-organic frameworks, Ba(SBA)(DMF)4 and Ba2(BTEC)(H2O)","Journal of Solid State Chemistry","2015","231","","132","137","10.1016/j.jssc.2015.08.021","","","0.71073","MoKα","","0.1378","0.0518","","","0.1059","0.1565","","","","","","0.822","","","","has coordinates","264124","2021-04-14","07:40:02",""
"1561720","7.7991","0.0002","17.5211","0.0004","9.06","0.0002","90","","114.524","0.002","90","","1126.35","0.05","173","0.2","173","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 Ba2 O9 -","- C10 H2 Ba2 O9 -","- C40 H8 Ba8 O36 -","4","0.5","","Halake, Shobha; Ok, Kang Min","Crystal growth, differential gas adsorption, high thermal stability, and reversible coordination of two new barium-organic frameworks, Ba(SBA)(DMF)4 and Ba2(BTEC)(H2O)","Journal of Solid State Chemistry","2015","231","","132","137","10.1016/j.jssc.2015.08.021","","","0.71073","MoKα","","0.0651","0.036","","","0.0677","0.0742","","","","","","0.922","","","","has coordinates","264124","2021-04-14","07:40:05",""
"1561721","10.335","0.0004","13.3823","0.0005","22.6623","0.0009","100.903","0.0009","91.359","0.001","104.331","0.0009","2973.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H61 Cl Cu3 N6 O21 S6 -","- C38 H35 Cl Cu3 N6 O13 S6 -","- C76 H70 Cl2 Cu6 N12 O26 S12 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Lezama, Luis; Vázquez-López, Ezequiel M.","External anion effect on the synthesis of new MOFs based on formate and a twisted divergent ligands","Journal of Solid State Chemistry","2015","231","","145","151","10.1016/j.jssc.2015.08.022","","","1.54178","CuKα","","0.0699","0.0668","","","0.1769","0.1798","","","","","","1.034","","","","has coordinates,has disorder","264125","2021-04-14","07:45:18",""
"1561722","12.42134","0.00017","5.7911","0.0001","9.50388","0.00014","90","","90","","90","","683.645","0.018","100","2","100","2","","","","","","","","3","I m m 2","I 2 -2","44","Ba3ThSe7","","","- Ba3 Se7 Th -","- Ba3 Se7 Th -","- Ba6 Se14 Th2 -","2","0.25","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba3ThSe3(Se2)2","Journal of Solid State Chemistry","2015","231","","163","168","10.1016/j.jssc.2015.08.012","","","0.71073","MoKα","","0.0083","0.008","","","0.0171","0.0172","","","","","","0.688","","","","has coordinates","264126","2021-04-14","07:49:51",""
"1561723","15.3439","0.0007","15.3439","0.0007","31.198","0.003","90","","90","","120","","6361.1","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H72 N12 Ni2 O25 V2 W4 -","- C72 H72 N12 Ni2 O25 V1.98 W4.02 -","- C216 H216 N36 Ni6 O75 V5.94 W12.06 -","3","0.166667","","Liu, Yunping; Zheng, Ran; Han, Zhangang; Gong, Kaining; He, Xueli; Zhai, Xueliang","Supramolecular hybrids of polytungstates and their adsorption properties for methylene blue","Journal of Solid State Chemistry","2015","231","","169","174","10.1016/j.jssc.2015.08.026","","","0.71073","MoKα","","0.0301","0.0274","","","0.0872","0.0904","","","","","","1.043","","","","has coordinates,has disorder","264127","2021-04-14","07:54:30",""
"1561724","13.3376","0.0007","13.2429","0.0007","27.0301","0.0015","90","","95.398","0.001","90","","4753.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H72 N12 Ni2 O40 V W12 -","- C72 H72 N12 Ni2 O40 V W12 -","- C144 H144 N24 Ni4 O80 V2 W24 -","2","0.5","","Liu, Yunping; Zheng, Ran; Han, Zhangang; Gong, Kaining; He, Xueli; Zhai, Xueliang","Supramolecular hybrids of polytungstates and their adsorption properties for methylene blue","Journal of Solid State Chemistry","2015","231","","169","174","10.1016/j.jssc.2015.08.026","","","0.71073","MoKα","","0.0668","0.0409","","","0.0904","0.1032","","","","","","1.068","","","","has coordinates","264127","2021-04-14","07:54:31",""
"1561725","8.3944","0.0007","17.7981","0.0012","16.6732","0.0015","90","","112.949","0.006","90","","2293.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B Cd N9 O3 -","- C17 H22 B Cd N9 O3 -","- C68 H88 B4 Cd4 N36 O12 -","4","1","","Liu, Liyang; Wen, Tian; Chen, Shumei; Zhang, Jian","A zeolitic Cd(II) boron imidazolate framework with sensing and catalytic properties","Journal of Solid State Chemistry","2015","231","","185","189","10.1016/j.jssc.2015.08.033","","","0.71073","MoKα","","0.0774","0.0551","","","0.1242","0.138","","","","","","1.073","","","","has coordinates","264128","2021-04-14","08:15:25",""
"1561726","4.13","0.0002","4.13","0.0002","20.816","0.0011","90","","90","","90","","355.06","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","lanthanum silver zinc arsenide (1/0.5/0.5/2)","lanthanum silver zinc arsenide (1/0.5/0.5/2)","","- Ag0.5 As2 La Zn0.5 -","- Ag0.5 As2 La Zn0.5 -","- Ag2 As8 La4 Zn2 -","4","0.125","","Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur","Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures","Journal of Solid State Chemistry","2015","231","","204","211","10.1016/j.jssc.2015.08.032","","","0.71073","MoKα","","0.0136","0.0134","","","0.0306","0.0307","","","","","","1.144","","","","has coordinates","264129","2021-04-14","08:22:30",""
"1561727","4.0495","0.0005","4.0495","0.0005","10.3571","0.0013","90","","90","","90","","169.84","0.04","296","2","296","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","neodymium silver zinc arsenide (1/0.5/0.5/2)","neodymium silver zinc arsenide (1/0.5/0.5/2)","","- Ag0.5 As2 Nd Zn0.5 -","- Ag0.5 As2 Nd Zn0.5 -","- Ag As4 Nd2 Zn -","2","0.125","","Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur","Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures","Journal of Solid State Chemistry","2015","231","","204","211","10.1016/j.jssc.2015.08.032","","","0.71073","MoKα","","0.0265","0.0252","","","0.0519","0.054","","","","","","1.286","","","","has coordinates","264129","2021-04-14","08:22:34",""
"1561728","4.0536","0.0004","4.0536","0.0004","10.3542","0.0009","90","","90","","90","","170.14","0.03","296","2","296","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","praseodymium silver zinc arsenide (1/0.5/0.5/2)","praseodymium silver zinc arsenide (1/0.5/0.5/2)","","- Ag0.5 As2 Pr Zn0.5 -","- Ag0.5 As2 Pr Zn0.5 -","- Ag As4 Pr2 Zn -","2","0.125","","Ramachandran, Krishna K.; Genet, Clément; Mar, Arthur","Quaternary rare-earth arsenides REAg1−Zn As2 (RE=La‒Nd, Sm, Gd‒Dy) with tetragonal SrZnBi2- and HfCuSi2-type structures","Journal of Solid State Chemistry","2015","231","","204","211","10.1016/j.jssc.2015.08.032","","","0.71073","MoKα","","0.0174","0.0167","","","0.0364","0.0366","","","","","","1.17","","","","has coordinates","264129","2021-04-14","08:22:34",""
"1561729","26.027","0.004","8.949","0.0013","27.097","0.004","90","","104.624","0.002","90","","6106.9","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Eu N O11 -","- C33 H22 Eu N O11 -","- C264 H176 Eu8 N8 O88 -","8","1","","Yang, Lu; Zhang, Sheng; Qu, Xiaoni; Yang, Qi; Liu, Xiangyu; Wei, Qing; Xie, Gang; Chen, Sanping","Synthesis, crystal structure and photoluminescence property of Eu/Tb MOFs with mixed polycarboxylate ligands","Journal of Solid State Chemistry","2015","231","","223","229","10.1016/j.jssc.2015.08.037","","","0.71073","MoKα","","0.0727","0.0466","","","0.1017","0.1116","","","","","","1.019","","","","has coordinates","264130","2021-04-14","08:31:14",""
"1561730","25.931","0.005","8.8865","0.0018","27.101","0.006","90","","104.459","0.004","90","","6047","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 N O11 Tb -","- C33 H22 N O11 Tb -","- C264 H176 N8 O88 Tb8 -","8","1","","Yang, Lu; Zhang, Sheng; Qu, Xiaoni; Yang, Qi; Liu, Xiangyu; Wei, Qing; Xie, Gang; Chen, Sanping","Synthesis, crystal structure and photoluminescence property of Eu/Tb MOFs with mixed polycarboxylate ligands","Journal of Solid State Chemistry","2015","231","","223","229","10.1016/j.jssc.2015.08.037","","","0.71073","MoKα","","0.1077","0.0542","","","0.0896","0.108","","","","","","0.955","","","","has coordinates","264130","2021-04-14","08:31:24",""
"1561731","10.161","0.002","11.539","0.002","21.719","0.004","90","","90","","90","","2546.5","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cu3 N3 S4 W -","- C14 H21 Cu3 N3 S4 W -","- C56 H84 Cu12 N12 S16 W4 -","4","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0486","0.0368","","","0.0706","0.076","","","","","","0.989","","","","has coordinates","264131","2021-04-14","08:40:06",""
"1561732","20.342","0.004","13.566","0.003","9.877","0.002","90","","90","","90","","2725.7","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 Cu4 N4 S4 W -","- C15 Cu4 N4 S4 W -","- C60 Cu16 N16 S16 W4 -","4","0.5","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.055","0.0506","","","0.1248","0.1283","","","","","","1.09","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561733","11.869","0.002","15.672","0.003","26.173","0.005","90","","90","","90","","4868.5","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Cu3 N3 O S3 W -","- C14 H28 Cu3 N3 O S3 W -","- C112 H224 Cu24 N24 O8 S24 W8 -","8","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0653","0.0543","","","0.1108","0.1164","","","","","","1.197","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561734","29.179","0.006","11.726","0.002","16.3","0.003","90","","100.21","0.03","90","","5488.8","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cu3 N3 O S3 W -","- C18 H36 Cu3 N3 O S3 W -","- C144 H288 Cu24 N24 O8 S24 W8 -","8","2","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0827","0.0597","","","0.0872","0.095","","","","","","1.153","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561735","11.482","0.002","15.535","0.003","15.861","0.003","90","","90","","90","","2829.2","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cu3 Mo N3 O S3 -","- C18 H36 Cu3 Mo N3 O S3 -","- C72 H144 Cu12 Mo4 N12 O4 S12 -","4","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0471","0.0447","","","0.1006","0.1032","","","","","","1.05","","","","has coordinates","264131","2021-04-14","08:40:09",""
"1561736","8.5807","0.0003","12.1887","0.0005","17.2541","0.0007","90","","100.885","0.001","90","","1772.1","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 Mn N2 O6 -","- C20 H14 Mn N2 O6 -","- C80 H56 Mn4 N8 O24 -","4","1","","Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz","Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand","Journal of Solid State Chemistry","2015","231","","239","247","10.1016/j.jssc.2015.08.036","","","0.71073","MoKα","","0.0402","0.0286","","","0.0676","0.0752","","","","","","1.066","","","","has coordinates,has Fobs","264133","2021-04-14","08:51:27",""
"1561737","8.7807","0.0004","12.3539","0.0005","16.9414","0.0007","90","","100.192","0.001","90","","1808.73","0.13","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 Cd N2 O6 -","- C20 H14 Cd N2 O6 -","- C80 H56 Cd4 N8 O24 -","4","1","","Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz","Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand","Journal of Solid State Chemistry","2015","231","","239","247","10.1016/j.jssc.2015.08.036","","","0.71073","MoKα","","0.0305","0.0226","","","0.0558","0.0646","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","264134","2021-04-14","08:53:05",""
"1561738","8.6613","0.0004","12.1142","0.0006","16.8936","0.0008","90","","102.081","0.004","90","","1733.3","0.15","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 Co N2 O6 -","- C20 H14 Co N2 O6 -","- C80 H56 Co4 N8 O24 -","4","1","","Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz","Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand","Journal of Solid State Chemistry","2015","231","","239","247","10.1016/j.jssc.2015.08.036","","","1.5418","CuKα","","0.077","0.0697","","","0.1718","0.181","","","","","","1.041","","","","has coordinates,has Fobs","264135","2021-04-14","08:54:50",""
"1561739","9.49","0.0019","12.24","0.002","13.78","0.003","90","","90","","90","","1600.7","0.5","100","2","100","2","","","","","","","","4","P n n m","-P 2 2n","58","Ba8PdU2Se16","","","- Ba8 Pd Se16 U2 -","- Ba8 Pd Se16 U2 -","- Ba16 Pd2 Se32 U4 -","2","0.25","","Prakash, Jai; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Synthesis, crystal structure, resistivity, and electronic structure of the U(V) quaternary polyselenide Ba8PdU2Se12(Se2)2","Journal of Solid State Chemistry","2015","230","","70","74","10.1016/j.jssc.2015.06.033","","","0.71073","MoKα","","0.0311","0.0293","","","0.0669","0.0677","","","","","","1.33","","","","has coordinates","264137","2021-04-14","09:21:15",""
"1561740","17.647","0.003","7.255","0.0015","9.1913","0.0018","90","","100.16","0.03","90","","1158.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Cu2 O13 P2 Te2 -","- Ba2 Cu2 O13 P2 Te2 -","- Ba8 Cu8 O52 P8 Te8 -","4","0.5","","Xia, Mingjun; Shen, Shipeng; Lu, Jun; Sun, Young; Li, R.K.","Ba2Cu2Te2P2O13: A new telluro-phosphate with S=1/2 Heisenberg chain","Journal of Solid State Chemistry","2015","230","","75","79","10.1016/j.jssc.2015.06.023","","","0.71073","MoKα","","0.0306","0.0253","","","0.0609","0.0867","","","","","","1.189","","","","has coordinates","264138","2021-04-14","09:24:08",""
"1561741","9.0395","0.0006","10.5638","0.0007","22.1117","0.0014","90","","98.054","0.001","90","","2090.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 Ag2 N4 O16 S2 -","- C46 H30 Ag2 N4 O16 S2 -","- C92 H60 Ag4 N8 O32 S4 -","2","0.5","","Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan","Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties","Journal of Solid State Chemistry","2015","230","","80","89","10.1016/j.jssc.2015.06.018","","","0.71073","MoKα","","0.0725","0.0601","","","0.1696","0.181","","","","","","1.065","","","","has coordinates,has disorder","264140","2021-04-14","09:30:56",""
"1561742","19.5","0.03","10.935","0.015","16.27","0.02","90","","93.73","0.016","90","","3462","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd3 N8 O21 S2 -","- C64 H48 Cd3 N8 O21 S2 -","- C128 H96 Cd6 N16 O42 S4 -","2","0.5","","Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan","Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties","Journal of Solid State Chemistry","2015","230","","80","89","10.1016/j.jssc.2015.06.018","","","0.71073","MoKα","","0.1731","0.0815","","","0.1818","0.221","","","","","","0.883","","","","has coordinates,has disorder","264140","2021-04-14","09:30:57",""
"1561743","32.067","0.004","8.4473","0.0009","26.724","0.003","90","","99.912","0.002","90","","7130.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 Mn N4 O10 S -","- C35 H28 Mn N4 O10 S -","- C280 H224 Mn8 N32 O80 S8 -","8","1","","Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan","Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties","Journal of Solid State Chemistry","2015","230","","80","89","10.1016/j.jssc.2015.06.018","","","0.71073","MoKα","","0.115","0.0549","","","0.149","0.17","","","","","","1.008","","","","has coordinates","264140","2021-04-14","09:30:57",""
"1561744","15.291","0.015","11.235","0.012","24.984","0.018","90","","115.28","0.04","90","","3881","6","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C74 H66 N10 Ni3 O30.5 S2 -","- C74 H56 N10 Ni3 O30.5 S2 -","- C148 H112 N20 Ni6 O61 S4 -","2","0.5","","Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan","Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties","Journal of Solid State Chemistry","2015","230","","80","89","10.1016/j.jssc.2015.06.018","","","0.71073","MoKα","","0.1898","0.0865","","","0.1997","0.2592","","","","","","0.965","","","","has coordinates","264140","2021-04-14","09:30:57",""
"1561745","20.198","0.003","10.4281","0.0014","16.582","0.002","90","","99.854","0.003","90","","3441.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H38 N8 O26 S2 Zn3 -","- C64 H38 N8 O26 S2 Zn3 -","- C128 H76 N16 O52 S4 Zn6 -","2","0.5","","Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan","Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties","Journal of Solid State Chemistry","2015","230","","80","89","10.1016/j.jssc.2015.06.018","","","0.71073","MoKα","","0.146","0.0926","","","0.1944","0.2114","","","","","","1.116","","","","has coordinates","264140","2021-04-14","09:30:57",""
"1561746","8.9175","0.0003","8.9175","0.0003","5.0364","0.0003","90","","90","","90","","400.5","0.03","293","","293","","","","2800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.324 -","- B50 Fe1.324 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0424","0.0382","","","0.0951","0.0991","","","","2.08","2.08","2.01","","","","has coordinates","264141","2021-04-14","09:36:40",""
"1561747","8.859","0.0003","8.859","0.0003","5.0042","0.0002","90","","90","","90","","392.74","0.02","293","","293","","","","6600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0425","0.0394","","","0.097","0.0991","","","","2.31","2.31","2.24","","","","has coordinates","264142","2021-04-14","09:38:41",""
"1561748","8.8178","0.0002","8.8178","0.0002","4.982","0.0002","90","","90","","90","","387.37","0.02","293","","293","","","","9800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0505","0.0482","","","0.1155","0.1168","","","","2.68","2.68","2.58","","","","has coordinates","264143","2021-04-14","09:44:02",""
"1561749","8.7426","0.0002","8.7426","0.0002","4.9395","0.0001","90","","90","","90","","377.541","0.014","293","","293","","","","16900000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0638","0.0602","","","0.1295","0.1301","","","","2.79","2.79","2.64","","","","has coordinates","264144","2021-04-14","09:45:18",""
"1561750","8.6807","0.0003","8.6807","0.0003","4.9043","0.0002","90","","90","","90","","369.56","0.02","293","","293","","","","22100000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0633","0.0595","","","0.1282","0.1295","","","","2.82","2.82","2.65","","","","has coordinates","264145","2021-04-14","09:47:22",""
"1561751","8.6397","0.0003","8.6397","0.0003","4.88","0.0003","90","","90","","90","","364.26","0.03","293","","293","","","","27500000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.1017","0.09","","","0.1773","0.1819","","","","2.79","2.79","2.53","","","","has coordinates","264146","2021-04-14","09:49:02",""
"1561752","8.5287","0.0004","8.5287","0.0004","4.8182","0.0003","90","","90","","90","","350.47","0.03","293","","293","","","","34100000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.074","0.0636","","","0.1337","0.1374","","","","2.46","2.46","2.29","","","","has coordinates","264147","2021-04-14","09:50:34",""
"1561753","8.5081","0.001","8.5081","0.001","4.8099","0.0008","90","","90","","90","","348.18","0.08","293","","293","","","","40900000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0915","0.0756","","","0.1542","0.1607","","","","2.4","2.4","2.19","","","","has coordinates","264148","2021-04-14","09:52:40",""
"1561754","8.4398","0.0008","8.4398","0.0008","4.775","0.0005","90","","90","","90","","340.12","0.06","293","","293","","","","47600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.324/50)","Iron Boron (1.324/50)","","- B50 Fe1.324 -","- B50 Fe1.3242 -","- B50 Fe1.3242 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0954","0.0768","","","0.1576","0.1682","","","","2.37","2.37","2.21","","","","has coordinates","264149","2021-04-14","09:54:13",""
"1561755","8.9731","0.0003","8.9731","0.0003","5.0587","0.0003","90","","90","","90","","407.31","0.03","296","2","296","2","","","","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.04/50)","Iron Boron (1.04/50)","","- B50 Fe1.04 -","- B50 Fe1.038 -","- B50 Fe1.038 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.71073","MoKα","","0.0617","0.0448","","","0.1076","0.1151","","","","","","1.154","","","","has coordinates","264150","2021-04-14","09:55:42",""
"1561756","16.9005","0.001","10.6248","0.0002","2.8834","0.0001","90","","90","","90","","517.76","0.04","293","","293","","","","3400000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0427","0.0359","","","0.0895","0.101","","","","1.87","1.87","1.95","","","","has coordinates","264151","2021-04-14","09:57:26",""
"1561757","16.846","0.0008","10.6107","0.0001","2.8751","0.0001","90","","90","","90","","513.92","0.03","293","","293","","","","5650000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0347","0.0295","","","0.0741","0.0827","","","","1.48","1.48","1.53","","","","has coordinates","264152","2021-04-14","09:59:01",""
"1561758","16.6754","0.001","10.5521","0.0002","2.8464","0.0001","90","","90","","90","","500.85","0.04","293","","293","","","","12500000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0415","0.0364","","","0.0843","0.0915","","","","1.92","1.92","1.92","","","","has coordinates","264153","2021-04-14","10:00:43",""
"1561759","16.6018","0.0011","10.529","0.0002","2.834","0.0001","90","","90","","90","","495.38","0.04","293","","293","","","","16100000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0425","0.0398","","","0.0872","0.0891","","","","2.08","2.08","1.97","","","","has coordinates","264154","2021-04-14","10:02:28",""
"1561760","16.5418","0.0013","10.5067","0.0002","2.8218","0.0001","90","","90","","90","","490.43","0.04","293","","293","","","","19200000","","","","","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0471","0.0393","","","0.0847","0.0905","","","","1.9","1.9","1.84","","","","has coordinates","264155","2021-04-14","10:04:02",""
"1561761","16.4469","0.0008","10.4785","0.0001","2.8089","0.0001","90","","90","","90","","484.08","0.03","293","","293","","","","23500000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0457","0.0404","","","0.0918","0.0949","","","","2.23","2.23","2.13","","","","has coordinates","264156","2021-04-14","10:05:34",""
"1561762","16.363","0.002","10.4485","0.0003","2.7948","0.0001","90","","90","","90","","477.82","0.06","293","","293","","","","28000000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0505","0.0404","","","0.0891","0.0944","","","","2.02","2.02","1.92","","","","has coordinates","264157","2021-04-14","10:07:25",""
"1561763","16.2755","0.0014","10.4254","0.0002","2.7831","0.0001","90","","90","","90","","472.23","0.04","293","","293","","","","32100000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0474","0.0398","","","0.0856","0.0896","","","","1.9","1.9","1.8","","","","has coordinates","264158","2021-04-14","10:08:45",""
"1561764","16.1899","0.0017","10.3983","0.0003","2.7692","0.0001","90","","90","","90","","466.19","0.05","293","","293","","","","37200000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.051","0.044","","","0.0937","0.0964","","","","2.25","2.25","2.14","","","","has coordinates","264159","2021-04-14","10:10:29",""
"1561765","16.1256","0.0017","10.3762","0.0003","2.7585","0.0001","90","","90","","90","","461.56","0.05","293","","293","","","","41100000","","","","high-pressure high-temperature synthesis","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0474","0.0413","","","0.0889","0.0939","","","","1.88","1.88","1.81","","","","has coordinates","264160","2021-04-14","10:12:52",""
"1561766","16.9699","0.0015","10.652","0.0009","2.8938","0.0003","90","","90","","90","","523.09","0.08","296","2","296","2","","","","","","","","2","P b a m","-P 2 2ab","55","diiron heptaboride","diiron heptaboride","","- B7 Fe2 -","- B7 Fe2 -","- B56 Fe16 -","8","1","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.71073","MoKα","","0.1024","0.0529","","","0.0736","0.0868","","","","","","0.978","","","","has coordinates","264161","2021-04-14","10:14:25",""
"1561767","8.9324","0.0003","8.9324","0.0003","5.0278","0.0003","90","","90","","90","","401.16","0.03","293","","293","","","","2800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.01 -","- B50 Fe1.01 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0626","0.0544","","","0.126","0.1336","","","","2.55","2.55","2.46","","","","has coordinates","264162","2021-04-14","10:15:57",""
"1561768","8.8731","0.0002","8.8731","0.0002","4.997","0.0002","90","","90","","90","","393.42","0.02","293","","293","","","","6600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0581","0.0532","","","0.1188","0.1224","","","","2.62","2.62","2.55","","","","has coordinates","264163","2021-04-14","10:17:31",""
"1561769","8.8236","0.0002","8.8236","0.0002","4.971","0.0001","90","","90","","90","","387.022","0.015","293","","293","","","","9700000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0549","0.0511","","","0.1185","0.1213","","","","2.6","2.6","2.51","","","","has coordinates","264164","2021-04-14","10:18:47",""
"1561770","8.7745","0.0002","8.7745","0.0002","4.9438","0.0002","90","","90","","90","","380.63","0.02","293","","293","","","","13500000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41441","synchrotron","","0.0537","0.0496","","","0.1179","0.1208","","","","2.6","2.6","2.47","","","","has coordinates","264165","2021-04-14","10:20:09",""
"1561771","8.7347","0.0001","8.7347","0.0001","4.9257","0.0001","90","","90","","90","","375.806","0.01","293","","293","","","","16800000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0518","0.0476","","","0.1133","0.1165","","","","2.55","2.55","2.47","","","","has coordinates","264166","2021-04-14","10:21:57",""
"1561772","8.6077","0.0005","8.6077","0.0005","4.8556","0.0003","90","","90","","90","","359.76","0.04","293","","293","","","","27600000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0844","0.076","","","0.1527","0.1561","","","","2.72","2.72","2.5","","","","has coordinates","264167","2021-04-14","10:23:21",""
"1561773","8.5446","0.0003","8.5446","0.0003","4.8209","0.0003","90","","90","","90","","351.97","0.03","293","","293","","","","34200000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0823","0.0764","","","0.1457","0.1492","","","","2.76","2.76","2.64","","","","has coordinates","264168","2021-04-14","10:24:31",""
"1561774","8.4765","0.0005","8.4765","0.0005","4.7855","0.0004","90","","90","","90","","343.84","0.04","293","","293","","","","40700000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0841","0.0719","","","0.1389","0.1416","","","","2.27","2.27","2.11","","","","has coordinates","264169","2021-04-14","10:25:37",""
"1561775","8.4155","0.0006","8.4155","0.0006","4.7516","0.0005","90","","90","","90","","336.51","0.05","293","","293","","","","47300000","","","","","2","P 42/n n m :2","-P 4ac 2bc","134","Iron Boron (1.01/50)","Iron Boron (1.01/50)","","- B50 Fe1.01 -","- B50 Fe1.0098 -","- B50 Fe1.0098 -","1","0.0625","","Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.","Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature","Journal of Solid State Chemistry","2015","230","","102","109","10.1016/j.jssc.2015.06.040","","x-ray","0.41409","synchrotron","","0.0888","0.0793","","","0.157","0.1595","","","","2.7","2.7","2.49","","","","has coordinates","264170","2021-04-14","10:26:35",""
"1561786","8.609","0.004","9.327","0.004","14.649","0.006","79.21","0.02","85.53","0.03","63.737","0.017","1036.2","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 La N6 S4 Sn -","- C10 H29 La N6 S4 Sn -","- C20 H58 La2 N12 S8 Sn2 -","2","1","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71075","MoKα","","0.0511","0.0505","","","0.0912","0.1023","","","","","","1.109","","","","has coordinates","264185","2021-04-15","07:14:09",""
"1561787","8.6215","0.0017","9.3724","0.0019","14.656","0.003","78.28","0.03","84.33","0.03","63.32","0.03","1036.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 N6 Nd S4 Sn -","- C10 H29 N6 Nd S4 Sn -","- C20 H58 N12 Nd2 S8 Sn2 -","2","1","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71073","MoKα","","0.0372","0.0346","","","0.0737","0.0752","","","","","","1.119","","","","has coordinates","264185","2021-04-15","07:14:15",""
"1561788","21.537","0.004","12.8635","0.0018","17.697","0.003","90","","124.308","0.002","90","","4049.8","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H50 N10 Nd2 O3 S6 Sn2 -","- C16 H38 N10 Nd2 O3 S6 Sn2 -","- C64 H152 N40 Nd8 O12 S24 Sn8 -","4","0.5","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71073","MoKα","","0.0396","0.0333","","","0.0689","0.0715","","","","","","1.127","","","","has coordinates","264185","2021-04-15","07:14:17",""
"1561789","21.487","0.002","12.8199","0.0008","17.7162","0.0016","90","","124.675","0.002","90","","4013.4","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H50 N10 O3 S6 Sm2 Sn2 -","- C16 H48 N10 O3 S6 Sm2 Sn2 -","- C64 H192 N40 O12 S24 Sm8 Sn8 -","4","0.5","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71075","MoKα","","0.0381","0.0313","","","0.0729","0.0759","","","","","","1.114","","","","has coordinates","264185","2021-04-15","07:14:19",""
"1561790","21.455","0.004","12.804","0.003","17.735","0.004","90","","124.81","0.03","90","","4000","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H50 Gd2 N10 O3 S6 Sn2 -","- C16 H48 Gd2 N10 O3 S6 Sn2 -","- C64 H192 Gd8 N40 O12 S24 Sn8 -","4","0.5","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71073","MoKα","","0.0614","0.0433","","","0.0912","0.106","","","","","","1.112","","","","has coordinates","264185","2021-04-15","07:14:19",""
"1561791","21.363","0.003","12.7168","0.0013","17.654","0.002","90","","124.915","0.002","90","","3932.8","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H50 Dy2 N10 O3 S6 Sn2 -","- C16 H48 Dy2 N10 O3 S6 Sn2 -","- C64 H192 Dy8 N40 O12 S24 Sn8 -","4","0.5","","Tang, Chunying; Lu, Jialin; Han, Jingyu; Liu, Yun; Shen, Yali; Jia, Dingxian","Complexations of Ln(III) with SnS4H and Sn2S6: Solvothermal syntheses and characterizations of lanthanide coordination polymers with thiostannate and polyamine mixed ligands","Journal of Solid State Chemistry","2015","230","","118","125","10.1016/j.jssc.2015.06.008","","","0.71073","MoKα","","0.061","0.0457","","","0.0712","0.0756","","","","","","1.12","","","","has coordinates","264185","2021-04-15","07:14:19",""
"1561792","12.2009","0.0004","12.3668","0.0006","23.6343","0.0009","101.074","0.004","97.532","0.003","91.374","0.003","3465.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H60 Cd2 F24 O29.5 Ti4 -","- C46 H60 Cd2 F24 O29.5 Ti4 -","- C92 H120 Cd4 F48 O59 Ti8 -","2","1","","Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad","Dye sensitized solar cell applications of CdTiO3‒TiO2 composite thin films deposited from single molecular complex","Journal of Solid State Chemistry","2015","230","","155","162","10.1016/j.jssc.2015.06.041","","","0.71073","MoKα","","0.1084","0.0816","","","0.1788","0.1936","","","","","","1.145","","","","has coordinates,has disorder","264186","2021-04-15","07:21:08",""
"1561793","7.3262","0.0008","12.518","0.002","11.3324","0.0014","90","","90","","90","","1039.3","0.2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cl4 Hg3 Se2 Zn -","- Cl4 Hg3 Se2 Zn -","- Cl16 Hg12 Se8 Zn4 -","4","0.5","","Zhang, Guodong; Xiong, Wei-Wei; Nie, Lina; Zhang, Qichun","Synthesis, crystal structure and optical property of a novel metal chalcohalide: ZnHg3Se2Cl4","Journal of Solid State Chemistry","2015","230","","182","185","10.1016/j.jssc.2015.06.032","","","0.71073","MoKα","","0.0993","0.0893","","","0.2547","0.2673","","","","","","1.091","","","","has coordinates,has disorder","264187","2021-04-15","07:24:59",""
"1561794","11.4795","0.0001","8.8862","0.0001","15.9648","0.0001","90","","93.708","0.001","90","","1625.15","0.03","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H35 Cu2 N5 O14 -","- C29 H35 Cu2 N5 O14 -","- C58 H70 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel","Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal","Journal of Solid State Chemistry","2015","230","","191","198","10.1016/j.jssc.2015.06.039","","","1.54184","CuKα","","0.0246","0.0242","","","0.0678","0.0681","","","","","","1.011","","","","has coordinates","264188","2021-04-15","07:31:11",""
"1561795","18.8827","0.0005","9.8114","0.0002","19.5013","0.0004","90","","108.692","0.003","90","","3422.36","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cu2 N4 O17 -","- C26 H22 Cu2 N4 O17 -","- C104 H88 Cu8 N16 O68 -","4","0.5","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel","Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal","Journal of Solid State Chemistry","2015","230","","191","198","10.1016/j.jssc.2015.06.039","","","0.71073","MoKα","","0.0472","0.0401","","","0.1013","0.1058","","","","","","1.098","","","","has coordinates,has disorder","264188","2021-04-15","07:31:14",""
"1561796","15.9219","0.0011","7.8232","0.0006","23.3545","0.0017","90","","93.096","0.001","90","","2904.8","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Co2 N3 O11 -","- C32 H25 Co2 N3 O11 -","- C128 H100 Co8 N12 O44 -","4","1","","Han, Min-Le; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Two new Co(II)-MOFs based on polymeric chain building units: Crystal structures, and magnetic properties","Journal of Solid State Chemistry","2015","230","","218","223","10.1016/j.jssc.2015.07.001","","","0.71073","MoKα","","0.0274","0.0245","","","0.071","0.0741","","","","","","1.018","","","","has coordinates","264189","2021-04-15","07:36:29",""
"1561797","13.797","0.006","8.86","0.004","30.359","0.014","90","","100.427","0.008","90","","3650","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 Co N3 O10 -","- C40 H31 Co N3 O10 -","- C160 H124 Co4 N12 O40 -","4","1","","Han, Min-Le; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Two new Co(II)-MOFs based on polymeric chain building units: Crystal structures, and magnetic properties","Journal of Solid State Chemistry","2015","230","","218","223","10.1016/j.jssc.2015.07.001","","","0.71073","MoKα","","0.0885","0.0645","","","0.1677","0.1862","","","","","","1.07","","","","has coordinates","264189","2021-04-15","07:36:29",""
"1561798","4.619","0.003","4.619","0.003","9.918","0.007","90","","90","","90","","211.6","0.2","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au Bi2 Ce -","- Au Bi2 Ce -","- Au2 Bi4 Ce2 -","2","0.125","","Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.","Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases","Journal of Solid State Chemistry","2015","230","","318","324","10.1016/j.jssc.2015.07.013","","","0.71073","MoKα","","0.0789","0.0568","","","0.1087","0.1194","","","","","","1.074","","","","has coordinates","264191","2021-04-15","07:48:39",""
"1561799","4.623","0.003","4.623","0.003","9.936","0.006","90","","90","","90","","212.4","0.2","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au Bi2 La -","- Au Bi2 La -","- Au2 Bi4 La2 -","2","0.125","","Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.","Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases","Journal of Solid State Chemistry","2015","230","","318","324","10.1016/j.jssc.2015.07.013","","","0.71073","MoKα","","0.0689","0.0529","","","0.1232","0.1286","","","","","","1.101","","","","has coordinates","264191","2021-04-15","07:48:39",""
"1561800","4.602","0.002","4.602","0.002","9.859","0.004","90","","90","","90","","208.8","0.15","100","2","100","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au Bi2 Nd -","- Au Bi2 Nd -","- Au2 Bi4 Nd2 -","2","0.125","","Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.","Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases","Journal of Solid State Chemistry","2015","230","","318","324","10.1016/j.jssc.2015.07.013","","","0.71073","MoKα","","0.0611","0.0473","","","0.111","0.1144","","","","","","1.15","","","","has coordinates","264191","2021-04-15","07:48:39",""
"1561801","4.6206","0.0003","4.6206","0.0003","9.8624","0.0006","90","","90","","90","","210.56","0.02","296","2","296","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au Bi2 Pr -","- Au Bi2 Pr -","- Au2 Bi4 Pr2 -","2","0.125","","Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.","Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases","Journal of Solid State Chemistry","2015","230","","318","324","10.1016/j.jssc.2015.07.013","","","0.71073","MoKα","","0.0371","0.0323","","","0.0789","0.081","","","","","","1.252","","","","has coordinates","264191","2021-04-15","07:48:39",""
"1561802","4.599","0.003","4.599","0.003","9.747","0.008","90","","90","","90","","206.2","0.3","301","2","301","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au Bi2 Sm -","- Au Bi2 Sm -","- Au2 Bi4 Sm2 -","2","0.125","","Seibel, Elizabeth M.; Xie, Weiwei; Gibson, Quinn D.; Cava, R.J.","Structure and magnetic properties of the REAuBi2 (RE=La‒Nd, Sm) phases","Journal of Solid State Chemistry","2015","230","","318","324","10.1016/j.jssc.2015.07.013","","","0.71073","MoKα","","0.0843","0.0508","","","0.1233","0.135","","","","","","1.186","","","","has coordinates","264191","2021-04-15","07:48:39",""
"1561803","7.3108","0.001","7.3108","0.001","10.364","0.002","90","","90","","90","","553.93","0.15","293","0.5","293","0.5","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Nb O6 Rb W -","- Nb0.956 O6 Rb W1.044 -","- Nb3.824 O24 Rb4 W4.176 -","4","0.25","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam; Sikora, Wiesława; Majchrowski, Andrzej","Modal disorder and phase transition in Rb0.91Nb0.96W1.04O5.98. Interpretation of X-ray diffuse scattering using the group theory approach","Journal of Solid State Chemistry","2015","230","","325","336","10.1016/j.jssc.2015.07.021","","","0.71073","MoKα","","0.0241","0.0235","","","0.0537","0.0546","","","","","","0.336","","","","has coordinates","264192","2021-04-15","07:52:34",""
"1561804","5.56275","0.00004","7.8416","0.00006","5.54642","0.00004","90","","90","","90","","241.94","0.003","50","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","2.6","","","","","","","has coordinates","264193","2021-04-15","08:13:42",""
"1561805","5.56489","0.00005","7.85248","0.00006","5.55497","0.00004","90","","90","","90","","242.742","0.003","275","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","2.5","","","","","","","has coordinates","264193","2021-04-15","08:13:44",""
"1561806","5.58483","0.0002","7.89328","0.0003","5.58514","0.00021","90","","90","","90","","246.208","0.016","775","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","1.88","","","","","","","has coordinates","264193","2021-04-15","08:13:47",""
"1561807","5.60478","0.00022","7.9347","0.0004","5.6185","0.00024","90","","90","","90","","249.867","0.019","1210","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","1.99","","","","","","","has coordinates","264193","2021-04-15","08:13:55",""
"1561808","5.62872","0.00005","5.62872","","13.68283","0.00017","90","","90","","120","","375.427","0.006","1270","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Fe La O3 -","- Fe La O3 -","- Fe6 La6 O18 -","6","0.166667","","Dixon, Charlotte A.L.; Kavanagh, Christopher M.; Knight, Kevin S.; Kockelmann, Winfried; Morrison, Finlay D.; Lightfoot, Philip","Thermal evolution of the crystal structure of the orthorhombic perovskite LaFeO3","Journal of Solid State Chemistry","2015","230","","337","342","10.1016/j.jssc.2015.07.019","powder diffraction","","","","","","","","","","","","","1.36","","","","","","","has coordinates","264193","2021-04-15","08:13:58",""
"1561809","11.2768","0.0011","5.4513","0.0002","11.055","0.003","90","","96.702","0.016","90","","674.9","0.2","150","0.1","150","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Bi6.5 Cu0.5 O15.2 V2 -","- Bi6.5 Cu0.5 O15.2 V2 -","- Bi13 Cu O30.4 V4 -","2","0.5","","Gupta, Akanksha; Uma, S.","Synthesis and crystal structure of Bi6(Bi0.5Cu0.5)V2O15+","Journal of Solid State Chemistry","2015","230","","369","373","10.1016/j.jssc.2015.07.038","","","0.71073","MoKα","","0.0669","0.06","","","","0.1518","","","","","","1.142","","","","has coordinates","264194","2021-04-15","08:25:19",""
"1561810","17.6604","0.0004","10.6264","0.0002","11.0262","0.0003","90","","95.59","0.002","90","","2059.41","0.08","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu(EIm)2[Fe(CN)4NO]","","","- C15 H16 Cu Fe N10 O -","- C15 Cu Fe N10 O -","- C60 Cu4 Fe4 N40 O4 -","4","1","","Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.","Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties","Journal of Solid State Chemistry","2015","230","","374","380","10.1016/j.jssc.2015.07.042","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","12.8609","1.627","","","","","","","has coordinates","264195","2021-04-15","08:32:52",""
"1561811","15.5053","0.0003","7.2535","0.0003","14.4102","0.0003","90","","90","","90","","1620.68","0.08","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cu(Im)2[Fe(CN)4NO]","","","- C11 H6 Cu Fe N10 O -","- C11 Cu Fe N10 O -","- C44 Cu4 Fe4 N40 O4 -","4","1","","Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.","Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties","Journal of Solid State Chemistry","2015","230","","374","380","10.1016/j.jssc.2015.07.042","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","14.1469","1.35","","","","","","","has coordinates","264195","2021-04-15","08:32:52",""
"1561812","13.5597","0.0003","18.3476","0.0004","7.5551","0.0001","90","","93.836","0.001","90","","1875.41","0.06","298","","298","","","","","","","","","5","I 1 a 1","I -2ya","9","Cu(Py)2[Fe(CN)5NO]","","","- C15 Cu Fe N8 O -","- C15 Cu Fe N8 O -","- C60 Cu4 Fe4 N32 O4 -","4","1","","Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.","Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties","Journal of Solid State Chemistry","2015","230","","374","380","10.1016/j.jssc.2015.07.042","powder diffraction","","1.5406","CuKα","","","","","","","","","9.7632","1.557","","","","","","","has coordinates","264195","2021-04-15","08:32:53",""
"1561813","17.6942","0.0004","34.1437","0.0006","10.04098","0.00018","90","","90","","90","","6066.2","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tridecabarium hexaboron tetrasilicon tetradecanitrogen","","- B12 Ba26 N27 Si5 -","- B12 Ba26 N27 Si5 -","- B48 Ba104 N108 Si20 -","4","0.25","","Takayuki, Hashimoto; Yamane, Hisanori; Becker, Nils; Dronskowski, Richard","Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells","Journal of Solid State Chemistry","2015","230","","390","396","10.1016/j.jssc.2015.07.022","","","0.71075","MoKα","","0.0174","0.0168","","","0.0382","0.0384","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1561814","7.5363","0.0007","12.2021","0.0011","16.7601","0.0016","90","","90","","90","","1541.2","0.2","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O11 Se2 U -","- C4 H18 N2 O11 Se2 U -","- C16 H72 N8 O44 Se8 U4 -","4","1","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0352","0.0311","","","0.0629","0.0639","","","","","","0.94","","","","has coordinates,has Fobs","264198","2021-04-15","09:10:25",""
"1561815","11.2154","0.0005","11.2263","0.0005","16.9138","0.0008","90","","90","","90","","2129.57","0.17","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O17 Se3 U2 -","- C4 H18 N2 O17 Se3 U2 -","- C16 H72 N8 O68 Se12 U8 -","4","1","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0376","0.0283","","","0.0484","0.05","","","","","","0.934","","","","has coordinates,has Fobs","264199","2021-04-15","09:12:47",""
"1561816","11.1679","0.0004","10.904","0.0004","17.9913","0.0006","90","","98.019","0.001","90","","2169.46","0.13","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H30 N7 O37.86 Se6 U4 -","- C8 H30 N7 O37.861 Se6 U4 -","- C16 H60 N14 O75.722 Se12 U8 -","2","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0485","0.033","","","0.0735","0.0771","","","","","","0.964","","","","has coordinates,has disorder,has Fobs","264200","2021-04-15","09:15:00",""
"1561817","12.451","0.005","31.126","0.005","14.197","0.004","90","","120.39","0.02","90","","4746","3","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H39 N3 O43 Se6 U4 -","- C6 H39 N3 O43 Se6 U4 -","- C24 H156 N12 O172 Se24 U16 -","4","1","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.1043","0.0482","","","0.106","0.1224","","","","","","0.875","","","","has coordinates,has Fobs","264201","2021-04-15","09:17:21",""
"1561818","8.3116","0.0004","18.6363","0.0008","11.5623","0.0005","90","","97.582","0.001","90","","1775.31","0.14","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H16 N2 O28.23 Se5.41 U3 -","- C4 H16 N2 O28.224 Se5.408 U3 -","- C8 H32 N4 O56.448 Se10.816 U6 -","2","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0549","0.0362","","","0.0935","0.0979","","","","","","1.083","","","","has coordinates,has Fobs","264202","2021-04-15","09:22:25",""
"1561819","8.941","0.002","19.3","0.004","11.377","0.003","90","","97.51","0.004","90","","1946.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H38 N3 O27.33 Se5 U3 -","- C12 H38 N3 O27.3333 Se5 U3 -","- C24 H76 N6 O54.6666 Se10 U6 -","2","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0986","0.0396","","","0.0583","0.0661","","","","","","0.733","","","","has coordinates,has disorder,has Fobs","264203","2021-04-15","09:24:33",""
"1561820","11.6591","0.0011","14.9556","0.0017","22.194","0.002","90","","90","","90","","3869.9","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 O26 Se5 U3 -","- C8 H8 N4 O26 Se5 U3 -","- C32 H32 N16 O104 Se20 U12 -","4","0.5","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0949","0.0602","","","0.0962","0.1053","","","","","","1.127","","","","has coordinates,has Fobs","264204","2021-04-15","09:28:17",""
"1561821","10.36393","0.0001","19.91575","0.00016","16.60841","0.00015","90","","93.5476","0.0009","90","","3421.5","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br4 N4 O4 Zn -","- C24 H18 Br4 N4 O4 Zn -","- C96 H72 Br16 N16 O16 Zn4 -","4","1","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","1.54184","CuKα","","0.0641","0.0565","","","0.1966","0.2064","","","","","","1.118","","","","has coordinates","264205","2021-04-15","09:36:12",""
"1561822","10.3691","0.0003","19.8798","0.0004","16.5489","0.0004","90","","92.975","0.002","90","","3406.72","0.15","292.14","0.1","292.14","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br4 Co N4 O4 -","- C24 H18 Br4 Co N4 O4 -","- C96 H72 Br16 Co4 N16 O16 -","4","1","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","1.54184","CuKα","","0.0785","0.063","","","0.2104","0.2266","","","","","","1.058","","","","has coordinates","264205","2021-04-15","09:36:15",""
"1561823","14.8105","0.0002","13.94092","0.00014","11.53789","0.00019","90","","112.742","0.0018","90","","2197.04","0.06","294.54","0.1","294.54","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 Cd Cl N4 O2 -","- C20 H18 Br2 Cd Cl N4 O2 -","- C80 H72 Br8 Cd4 Cl4 N16 O8 -","4","1","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","x-ray","1.54184","CuKα","","0.0295","0.0251","","","0.0614","0.0642","","","","","","1.091","","","","has coordinates","264205","2021-04-15","09:36:18",""
"1561824","18.3022","0.0003","8.84836","0.00016","17.5015","0.0003","90","","93.8224","0.0015","90","","2827.97","0.08","292.82","0.1","292.82","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H14 Br4 Cd N4 O4 -","- C22 H14 Br4 Cd N4 O4 -","- C88 H56 Br16 Cd4 N16 O16 -","4","1","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","1.54184","CuKα","","0.0642","0.0583","","","0.177","0.1862","","","","","","1.044","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1561825","8.952","0.0008","10.1519","0.0009","11.7454","0.0008","110.354","0.007","104.084","0.008","90.324","0.008","965.89","0.15","292.8","0.5","292.8","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Br4 Cd N8 O6 -","- C36 H32 Br4 Cd N8 O6 -","- C36 H32 Br4 Cd N8 O6 -","1","0.5","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","0.71073","MoKα","","0.0454","0.0351","","","0.0741","0.0795","","","","","","1.048","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1561826","8.9963","0.0013","10.0099","0.0012","11.5713","0.0016","110.563","0.012","103.836","0.013","90.157","0.011","943","0.2","292.82","0.1","292.82","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Br4 Co N8 O6 -","- C36 H32 Br4 Co N8 O6 -","- C36 H32 Br4 Co N8 O6 -","1","0.5","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","0.71073","MoKα","","0.0996","0.0497","","","0.0766","0.1034","","","","","","0.992","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1561827","9.7594","0.0006","20.6475","0.0006","16.4938","0.0007","90","","98.508","0.005","90","","3287","0.3","296.73","0.11","296.73","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Br4 Co N4 O4 -","- C22 H14 Br4 Co N4 O4 -","- C88 H56 Br16 Co4 N16 O16 -","4","1","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","0.71","MoKα","","0.1367","0.0952","","","0.2801","0.3167","","","","","","1.077","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1561828","20.4029","0.0005","17.331","0.0005","38.6793","0.0015","90","","91.038","0.003","90","","13674.9","0.7","292.82","0.1","292.82","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H17 Br4 Co N4 O5 -","- C24 H17 Br4 Co N4 O5 -","- C384 H272 Br64 Co16 N64 O80 -","16","2","","Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei","Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties","Journal of Solid State Chemistry","2015","229","","49","61","10.1016/j.jssc.2015.05.008","","","0.71","MoKα","","0.1284","0.0742","","","0.2293","0.2709","","","","","","1.044","","","","has coordinates","264205","2021-04-15","09:36:21",""
"1561829","11.1182","0.0008","11.2423","0.0009","11.6976","0.0009","65.31","0.002","74.889","0.002","72.067","0.002","1249.08","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N2 O4 S2 Zn -","- C22 H14 N2 O4 S2 Zn -","- C44 H28 N4 O8 S4 Zn2 -","2","1","","Sanda, Suresh; Biswas, Soumava; Parshamoni, Srinivasulu; Konar, Sanjit","Unraveling the multi-functional behavior in a series of Metal Organic Frameworks","Journal of Solid State Chemistry","2015","229","","103","111","10.1016/j.jssc.2015.05.012","","","0.71073","MoKα","","0.0868","0.059","","","0.1231","0.1321","","","","","","1.041","","","","has coordinates","264206","2021-04-15","09:44:26",""
"1561830","10.4806","0.0014","21.312","0.004","11.3293","0.0017","90","","94.497","0.004","90","","2522.8","0.7","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H16 Co N2 O6 S2 -","- C22 H16 Co N2 O6 S2 -","- C88 H64 Co4 N8 O24 S8 -","4","0.5","","Sanda, Suresh; Biswas, Soumava; Parshamoni, Srinivasulu; Konar, Sanjit","Unraveling the multi-functional behavior in a series of Metal Organic Frameworks","Journal of Solid State Chemistry","2015","229","","103","111","10.1016/j.jssc.2015.05.012","","","0.71073","MoKα","","0.038","0.0342","","","0.104","0.1067","","","","","","0.983","","","","has coordinates","264207","2021-04-15","09:45:57",""
"1561831","12.219","0.005","12.815","0.006","20.585","0.008","95.187","0.006","92.184","0.006","105.724","0.005","3083","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H33 Cd2 N6 O10 S6 -","- C54 H33 Cd2 N6 O10 S6 -","- C108 H66 Cd4 N12 O20 S12 -","2","1","","Sanda, Suresh; Biswas, Soumava; Parshamoni, Srinivasulu; Konar, Sanjit","Unraveling the multi-functional behavior in a series of Metal Organic Frameworks","Journal of Solid State Chemistry","2015","229","","103","111","10.1016/j.jssc.2015.05.012","","","0.71073","MoKα","","0.0657","0.0656","","","0.1444","0.1444","","","","","","1.114","","","","has coordinates","264208","2021-04-15","09:47:05",""
"1561845","10.626","0.01","10.626","0.01","6.392","0.006","90","","90","","120","","625","1","296","2","296","2","","","","","","","","4","P 63","P 6c","173","lanthanum copper gallium selenide (3/1/1/7)","lanthanum copper gallium selenide (3/1/1/7)","","- Cu Ga La3 Se7 -","- Cu Ga La3 Se7 -","- Cu2 Ga2 La6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0473","0.0394","","","0.0914","0.0953","","","","","","1.065","","","","has coordinates","264238","2021-04-16","08:20:34",""
"1561846","10.6007","0.0006","10.6007","0.0006","6.3775","0.0004","90","","90","","120","","620.65","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","cerium copper gallium selenide (3/1/1/7)","cerium copper gallium selenide (3/1/1/7)","","- Ce3 Cu Ga Se7 -","- Ce3 Cu Ga Se7 -","- Ce6 Cu2 Ga2 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0379","0.0304","","","0.0675","0.0706","","","","","","1.055","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561847","10.4181","0.0008","10.4181","0.0008","6.3743","0.0005","90","","90","","120","","599.16","0.08","296","2","296","2","","","","","","","","4","P 63","P 6c","173","praseodymium copper gallium selenide (3/1/1/7)","praseodymium copper gallium selenide (3/1/1/7)","","- Cu Ga Pr3 Se7 -","- Cu Ga Pr3 Se7 -","- Cu2 Ga2 Pr6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0318","0.0298","","","0.0685","0.0694","","","","","","1.11","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561848","10.3426","0.0009","10.3426","0.0009","6.3869","0.0006","90","","90","","120","","591.67","0.09","296","2","296","2","","","","","","","","4","P 63","P 6c","173","neodymium copper gallium selenide (3/1/1/7)","neodymium copper gallium selenide (3/1/1/7)","","- Cu Ga Nd3 Se7 -","- Cu Ga Nd3 Se7 -","- Cu2 Ga2 Nd6 Se14 -","2","0.333333","","Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur","Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La‒Nd; Ch=S, Se): An unexpected combination","Journal of Solid State Chemistry","2015","229","","150","159","10.1016/j.jssc.2015.05.016","","","0.71073","MoKα","","0.0358","0.03","","","0.0612","0.0631","","","","","","1.126","","","","has coordinates","264238","2021-04-16","08:20:36",""
"1561849","5.3909","0.0001","5.3909","0.0001","12.006","0.0005","90","","90","","90","","348.916","0.017","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Eu Mo O4 -","- Eu Mo O4 -","- Eu4 Mo4 O16 -","4","0.25","","Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad","Synthesis, characterization, and properties of reduced europium molybdates and tungstates","Journal of Solid State Chemistry","2015","229","","173","180","10.1016/j.jssc.2015.05.014","","","0.71073","MoKα","","0.0184","0.0155","","","0.0342","0.0357","","","","","","1.143","","","","has coordinates","264239","2021-04-16","08:25:31",""
"1561850","5.4145","0.0003","5.4145","0.0003","11.9494","0.0011","90","","90","","90","","350.32","0.04","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Eu O4 W -","- Eu O4 W -","- Eu4 O16 W4 -","4","0.25","","Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad","Synthesis, characterization, and properties of reduced europium molybdates and tungstates","Journal of Solid State Chemistry","2015","229","","173","180","10.1016/j.jssc.2015.05.014","","","0.71073","MoKα","","0.041","0.0263","","","0.0677","0.075","","","","","","1.13","","","","has coordinates","264239","2021-04-16","08:25:32",""
"1561851","5.3857","0.0002","5.3857","0.0002","11.9827","0.0006","90","","90","","90","","347.57","0.03","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu0.91 K0.09 Mo O4 -","- Eu0.906 K0.094 Mo O4 -","- Eu3.624 K0.376 Mo4 O16 -","4","0.25","","Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad","Synthesis, characterization, and properties of reduced europium molybdates and tungstates","Journal of Solid State Chemistry","2015","229","","173","180","10.1016/j.jssc.2015.05.014","","","0.71073","MoKα","","0.0189","0.016","","","0.0418","0.0434","","","","","","1.152","","","","has coordinates","264239","2021-04-16","08:25:32",""
"1561852","5.4101","0.0002","5.4101","0.0002","11.9246","0.0007","90","","90","","90","","349.02","0.03","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu0.9 K0.1 O4 W -","- Eu0.903 K0.097 O4 W -","- Eu3.612 K0.388 O16 W4 -","4","0.25","","Abeysinghe, Dileka; Gerke, Birgit; Morrison, Gregory; Hsieh, Chun H.; Smith, Mark D.; Pöttgen, Rainer; Makris, Thomas M.; zur Loye, Hans-Conrad","Synthesis, characterization, and properties of reduced europium molybdates and tungstates","Journal of Solid State Chemistry","2015","229","","173","180","10.1016/j.jssc.2015.05.014","","","0.71073","MoKα","","0.0254","0.0163","","","0.0347","0.0378","","","","","","1.072","","","","has coordinates","264239","2021-04-16","08:25:32",""
"1561853","5.9636","0.001","7.7537","0.0013","13.545","0.002","90","","97.902","0.002","90","","620.37","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Ce Cl O9 -","- C6 H6 Ce Cl O9 -","- C12 H12 Ce2 Cl2 O18 -","2","1","","Hu, Gonghao; Zhang, Haitao; Miao, Hao; Wang, Jiahong; Xu, Yan","Synthesis, structures and properties of two new chiral rare earth-organic frameworks constructed by l/d-tartaric acid","Journal of Solid State Chemistry","2015","229","","208","212","10.1016/j.jssc.2015.05.025","","","0.71073","MoKα","","0.0494","0.0485","","","0.1571","0.1581","","","","","","1.197","","","","has coordinates","264240","2021-04-16","08:33:00",""
"1561854","5.9625","0.0015","7.7353","0.0019","13.482","0.003","90","","97.483","0.003","90","","616.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2.4 H4.8 Ce0.4 Cl0.4 O3.6 -","- C2.4 H2.4 Ce0.4 Cl0.4 O3.6 -","- C12 H12 Ce2 Cl2 O18 -","5","2.5","","Hu, Gonghao; Zhang, Haitao; Miao, Hao; Wang, Jiahong; Xu, Yan","Synthesis, structures and properties of two new chiral rare earth-organic frameworks constructed by l/d-tartaric acid","Journal of Solid State Chemistry","2015","229","","208","212","10.1016/j.jssc.2015.05.025","","","0.71073","MoKα","","0.0544","0.0521","","","0.1393","0.1417","","","","","","1.064","","","","has coordinates","264240","2021-04-16","08:33:01",""
"1561855","12.3463","0.0003","2.9855","0.0001","9.4088","0.0002","90","","122.566","0.001","90","","292.279","0.014","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.369 Na0.85 O8 Ti0.511 -","- Ga4.3686 Na0.85 O8 Ti0.511 -","- Ga8.7372 Na1.7 O16 Ti1.022 -","2","0.25","","Hasegawa, Ryo; Okabe, Momoko; Asaka, Toru; Ishizawa, Nobuo; Fukuda, Koichiro","Structure and ionic conductivity of well-aligned polycrystalline sodium titanogallate grown by reactive diffusion","Journal of Solid State Chemistry","2015","229","","252","259","10.1016/j.jssc.2015.06.005","","","0.71073","MoKα","","0.0248","0.0205","","","0.0282","0.0287","","","","1.97","1.97","1.86","","","","has coordinates","264241","2021-04-16","08:39:32",""
"1561856","4.2754","0.0003","4.2754","0.0003","14.6855","0.0016","90","","90","","90","","268.44","0.04","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Ce2AgGe3","","","- Ag1.06 Ce2 Ge2.94 -","- Ag1.06 Ce2 Ge2.94 -","- Ag2.12 Ce4 Ge5.88 -","2","0.0625","","Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.","Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds","Journal of Solid State Chemistry","2015","229","","287","295","10.1016/j.jssc.2015.06.003","","","0.71073","MoKα","","0.0594","0.0553","","","0.1332","0.1364","","","","","","1.162","","","","has coordinates","264243","2021-04-16","08:51:24",""
"1561857","4.2401","0.0006","4.2401","0.0006","14.611","0.003","90","","90","","90","","262.68","0.08","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Pr2AgGe3","","","- Ag1.23 Ge2.77 Pr2 -","- Ag1.232 Ge2.768 Pr2 -","- Ag2.464 Ge5.536 Pr4 -","2","0.0625","","Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.","Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds","Journal of Solid State Chemistry","2015","229","","287","295","10.1016/j.jssc.2015.06.003","","","0.71073","MoKα","","0.0557","0.0506","","","0.1128","0.1165","","","","","","1.441","","","","has coordinates","264243","2021-04-16","08:51:25",""
"1561858","4.1886","0.0006","4.1886","0.0006","14.557","0.003","90","","90","","90","","255.39","0.07","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Nd2AgGe3","","","- Ag1.08 Ge2.92 Nd2 -","- Ag1.084 Ge2.916 Nd2 -","- Ag2.168 Ge5.832 Nd4 -","2","0.0625","","Sarkar, Sumanta; Mumbaraddi, Dundappa; Halappa, Pramod; Kalsi, Deepti; Rayaprol, Sudhindra; Peter, Sebastian C.","Structure and physical properties of RE2AgGe3 (RE=Ce, Pr, Nd) compounds","Journal of Solid State Chemistry","2015","229","","287","295","10.1016/j.jssc.2015.06.003","","","0.71073","MoKα","","0.0481","0.0474","","","0.108","0.1086","","","","","","1.256","","","","has coordinates","264243","2021-04-16","08:51:25",""
"1561859","6.219769","0.000017","6.219769","","20.02981","0.00009","90","","90","","120","","671.052","0.004","","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Bi O19 Ta7 -","- Bi O19 Ta7 -","- Bi2 O38 Ta14 -","2","0.166667","","Boltersdorf, Jonathan; Maggard, Paul A.","Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers","Journal of Solid State Chemistry","2015","229","","310","321","10.1016/j.jssc.2015.06.019","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","264244","2021-04-16","09:01:15",""
"1561860","6.237006","0.000015","6.237006","","36.86138","0.00014","90","","90","","120","","1241.81","0.006","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- O11 Pb Ta4 -","- O11 Pb Ta4 -","- O66 Pb6 Ta24 -","6","0.666667","","Boltersdorf, Jonathan; Maggard, Paul A.","Structural and electronic investigations of PbTa4O11 and BiTa7O19 constructed from α-U3O8 types of layers","Journal of Solid State Chemistry","2015","229","","310","321","10.1016/j.jssc.2015.06.019","","","","","","","","","","","","","","1.91","","","","","","","has coordinates","264244","2021-04-16","09:01:15",""
"1561861","9.261","0.017","16.11","0.03","9.821","0.018","90","","115.57","0.03","90","","1322","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H15 Co N O12 P3 -","- C3 H15 Co N O12 P3 -","- C12 H60 Co4 N4 O48 P12 -","4","1","","Guan, Lei; Wang, Ying","Hydrothermal synthesis, crystal structure and properties of a novel chain coordination polymer constructed by tetrafunctional phosphonate anions and cobalt ions","Journal of Solid State Chemistry","2015","228","","9","13","10.1016/j.jssc.2015.04.008","","","0.71073","MoKα","","0.1887","0.1033","","","0.218","0.2643","","","","","","1.037","","","","has coordinates","264245","2021-04-16","09:08:06",""
"1561862","13.199","0.0009","13.199","0.0009","13.199","0.0009","90","","90","","90","","2299.4","0.3","100","2","100","2","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Rh2 S15 U6 -","- Rh2 S15 U6 -","- Rh8 S60 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0261","0.0247","","","0.0947","0.0973","","","","","","1.829","","","","has coordinates","264246","2021-04-16","09:20:06",""
"1561863","14.0029","0.0004","14.0029","0.0004","14.0029","0.0004","90","","90","","90","","2745.71","0.14","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Se15 Ti2 U6 -","- Cs2.0004 Se15 Ti2 U6 -","- Cs8.0016 Se60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0183","0.0168","","","0.0497","0.0499","","","","","","2.047","","","","has coordinates","264247","2021-04-16","09:21:21",""
"1561864","13.9062","0.0008","13.9062","0.0008","13.9062","0.0008","90","","90","","90","","2689.2","0.3","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Se15 Ti2 U6 -","- Cs2.0007 Se15 Ti2 U6 -","- Cs8.0028 Se60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0217","0.0212","","","0.0667","0.0668","","","","","","2.835","","","","has coordinates","264248","2021-04-16","09:22:32",""
"1561865","13.9184","0.0003","13.9184","0.0003","13.9184","0.0003","90","","90","","90","","2696.3","0.1","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cr2 Cs2 Se15 U6 -","- Cr2 Cs1.9998 Se15 U6 -","- Cr8 Cs7.9992 Se60 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.0233","0.0196","","","0.0391","0.0397","","","","","","1.598","","","","has coordinates","264249","2021-04-16","09:23:43",""
"1561866","15.013","0.0004","15.013","0.0004","15.013","0.0004","90","","90","","90","","3383.78","0.16","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Cs2 Te15 Ti2 U6 -","- Cs1.9998 Te15 Ti2 U6 -","- Cs7.9992 Te60 Ti8 U24 -","4","0.0416667","","Ward, Matthew D.; Oh, George N.; Mesbah, Adel; Lee, Minseong; Sang Choi, Eun; Ibers, James A.","Syntheses and characterization of the cubic uranium chalcogenides Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15","Journal of Solid State Chemistry","2015","228","","14","19","10.1016/j.jssc.2015.04.005","","","0.71073","MoKα","","0.034","0.034","","","0.0855","0.0855","","","","","","4.656","","","","has coordinates,has Fobs","264250","2021-04-16","09:25:12",""
"1561867","10.0021","0.0004","9.601","0.004","10.67","0.0004","90","","90","","90","","1024.6","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga2 O5 Sr2 -","- Ga2 O5 Sr2 -","- Ga16 O40 Sr16 -","8","1","","Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela","High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14","Journal of Solid State Chemistry","2015","228","","27","35","10.1016/j.jssc.2015.04.016","","x-ray","0.71073","MoKα","","0.0263","0.0211","","","0.0503","0.0517","","","","","","1.166","","","","has coordinates","264251","2021-04-16","09:31:56",""
"1561868","8.1426","0.0003","8.1803","0.0003","10.8755","0.0004","90","","91.97","0.004","90","","723.98","0.05","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga6 O14 Sr5 -","- Ga6 O14 Sr5 -","- Ga12 O28 Sr10 -","2","0.5","","Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela","High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14","Journal of Solid State Chemistry","2015","228","","27","35","10.1016/j.jssc.2015.04.016","","x-ray","0.71073","MoKα","","0.0294","0.026","","","0.0658","0.0678","","","","","","0.998","","","","has coordinates","264251","2021-04-16","09:31:57",""
"1561869","26.0338","0.0008","26.3415","0.0007","27.5327","0.0007","90","","97.836","0.003","90","","18704.8","0.9","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H37 N13 O22 Zn4 -","- C51 H37 N13 O22 Zn4 -","- C408 H296 N104 O176 Zn32 -","8","1","","Moradpour, Tahereh; Abbasi, Alireza; Van Hecke, Kristof","A nanoporous 3D zinc(II) metal‒organic framework for selective absorption of benzaldehyde and formaldehyde","Journal of Solid State Chemistry","2015","228","","36","41","10.1016/j.jssc.2015.04.013","","","1.5418","CuKα","","0.0826","0.0625","","","0.1798","0.1946","","","","","","0.995","","","","has coordinates","264252","2021-04-16","09:35:45",""
"1561870","5.1975","0.0008","18.046","0.003","15.873","0.005","90","","93.614","0.013","90","","1485.8","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As2 F14 Hg2 O6 S2 -","- As2 F14 Hg2 O6 S2 -","- As8 F56 Hg8 O24 S8 -","4","1","","Mazej, Zoran; Goreshnik, Evgeny A.","Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)","Journal of Solid State Chemistry","2015","228","","53","59","10.1016/j.jssc.2015.04.025","","","0.71069","MoKα","","0.0737","0.0435","","","0.0881","0.0984","","","","","","0.922","","","","has coordinates","264253","2021-04-16","09:41:59",""
"1561871","9.4921","0.0008","9.2834","0.0006","10.5448","0.0007","90","","103.759","0.007","90","","902.53","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As2 F13 H Hg -","- As2 F13 H Hg -","- As8 F52 H4 Hg4 -","4","1","","Mazej, Zoran; Goreshnik, Evgeny A.","Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)","Journal of Solid State Chemistry","2015","228","","53","59","10.1016/j.jssc.2015.04.025","","x-ray","0.71073","MoKα","","0.076672","0.058123","","","","0.155796","","","","","","1.06074","","","","has coordinates","264253","2021-04-16","09:42:00",""
"1561872","5.0781","0.0003","6.6907","0.0005","7.7135","0.0005","84.045","0.005","79.277","0.005","80.612","0.006","253.32","0.03","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- As2 F14 H2 Hg -","- As2 F14 H2 Hg -","- As2 F14 H2 Hg -","1","0.5","","Mazej, Zoran; Goreshnik, Evgeny A.","Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)","Journal of Solid State Chemistry","2015","228","","53","59","10.1016/j.jssc.2015.04.025","","x-ray","0.71073","MoKα","","0.037471","0.033779","","","","0.085602","","","","","","1.04097","","","","has coordinates","264253","2021-04-16","09:42:00",""
"1561873","7.0645","0.0003","9.9023","0.0003","7.8686","0.0003","90","","102.96","0.004","90","","536.42","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As F7 Hg -","- As F7 Hg -","- As4 F28 Hg4 -","4","1","","Mazej, Zoran; Goreshnik, Evgeny A.","Synthesis and crystal structures of HgFAsF6, Hg(HF)2(AsF6)2, Hg(HF)(AsF6)2 and Hg(AsF6)(SO3F)","Journal of Solid State Chemistry","2015","228","","53","59","10.1016/j.jssc.2015.04.025","","x-ray","0.71073","MoKα","","0.0425","0.0388","","","0.0946","0.0966","","","","","","1.16","","","","has coordinates","264253","2021-04-16","09:42:00",""
"1561879","14.9539","0.0018","11.532","0.0014","20.406","0.002","90","","91.324","0.002","90","","3518","0.7","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55 H55 Ag5 B5 F20 N15 O10 -","- C55 H55 Ag5 B5 F20 N15 O10 -","- C110 H110 Ag10 B10 F40 N30 O20 -","2","0.5","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0801","0.0444","","","0.0968","0.1115","","","","","","1.001","","","","has coordinates,has disorder","264290","2021-04-19","07:01:06",""
"1561880","11.3985","0.001","22.943","0.002","23.982","0.002","90","","90","","90","","6271.7","0.9","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C22 H22 Ag2 F12 N6 O4 Sb2 -","- C22 H22 Ag2 F12 N6 O4 Sb2 -","- C176 H176 Ag16 F96 N48 O32 Sb16 -","8","1","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0624","0.0475","","","0.1207","0.131","","","","","","1.043","","","","has coordinates","264290","2021-04-19","07:01:07",""
"1561881","17.642","0.005","21.495","0.005","7.95","0.005","90","0.005","90","0.005","90","0.005","3015","2","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Cu4 I4 N6 O4 -","- C22 H22 Cu4 I4 N6 O4 -","- C88 H88 Cu16 I16 N24 O16 -","4","0.25","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71069","MoKα","","0.041","0.0313","","","0.0898","0.1125","","","","","","1.13","","","","has coordinates","264290","2021-04-19","07:01:10",""
"1561882","8.7584","0.0012","9.5342","0.0013","10.9036","0.0015","93.622","0.002","101.83","0.002","98.9","0.002","876.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cu6 I6 N6 O4 -","- C22 H22 Cu6 I6 N6 O4 -","- C22 H22 Cu6 I6 N6 O4 -","1","0.5","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.069","0.0658","","","0.1426","0.1446","","","","","","1.16","","","","has coordinates","264290","2021-04-19","07:01:10",""
"1561883","8.17","0.005","9.98","0.005","10.617","0.005","70.976","0.005","84.435","0.005","82.303","0.005","809.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O6 Pd -","- C15 H17 N3 O6 Pd -","- C30 H34 N6 O12 Pd2 -","2","1","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0656","0.0643","","","0.193","0.1945","","","","","","1.119","","","","has coordinates","264290","2021-04-19","07:01:10",""
"1561884","9.459","0.0012","11.1548","0.0014","10.5292","0.0013","90","","103.13","0.002","90","","1081.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N3 O2 Pd -","- C23 H19 Cl2 N3 O2 Pd -","- C46 H38 Cl4 N6 O4 Pd2 -","2","1","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0276","0.0241","","","0.0502","0.0524","","","","","","1.022","","","","has coordinates","264290","2021-04-19","07:01:13",""
"1561885","5.6699","0.0006","7.3754","0.0012","11.831","0.0013","86.199","0.011","80.625","0.009","88.7","0.011","487.03","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca3 K2 O10 Si3 -","- Ca3 K2 O10 Si3 -","- Ca6 K4 O20 Si6 -","2","1","","Schmidmair, Daniela; Kahlenberg, Volker; Perfler, Lukas; Tribus, Martina; Hildebrandt, Johannes; Többens, Daniel M.","On the ambient pressure polymorph of K2Ca3Si3O10—An unusual mixed-anion silicate and its structural and spectroscopic characterization","Journal of Solid State Chemistry","2015","228","","90","98","10.1016/j.jssc.2015.04.019","","","0.71073","MoKα","","0.0351","0.0261","","","0.0588","0.0622","","","","","","1.063","","","","has coordinates","264291","2021-04-19","07:06:44",""
"1561886","11.7078","0.0016","12.3962","0.0016","12.9998","0.0018","67.853","0.002","67.94","0.002","79.041","0.002","1617","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H50 Co2 N10 O16 -","- C74 H50 Co2 N10 O16 -","- C74 H50 Co2 N10 O16 -","1","0.5","","Wang, Yansong; Zhou, Zhimin","Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2015","228","","117","123","10.1016/j.jssc.2015.04.026","","","0.71073","MoKα","","0.063","0.0426","","","0.1003","0.1126","","","","","","1.005","","","","has coordinates","264292","2021-04-19","07:12:27",""
"1561887","12.708","0.0005","7.1786","0.0003","25.3307","0.001","90","","90","","90","","2310.81","0.16","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","","Wang, Yansong; Zhou, Zhimin","Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2015","228","","117","123","10.1016/j.jssc.2015.04.026","","","0.71073","MoKα","","0.035","0.0271","","","0.0658","0.0692","","","","","","1.061","","","","has coordinates","264292","2021-04-19","07:12:30",""
"1561888","6.8741","0.0018","16.612","0.005","9.609","0.003","90","","93.585","0.004","90","","1095.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C48 H44 N8 O8 Zn2 -","2","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0574","0.0448","","","0.1163","0.1825","","","","","","1.194","","","","has coordinates","264293","2021-04-19","07:21:34",""
"1561889","6.8694","0.0014","16.599","0.004","9.5874","0.0019","90","","93.485","0.003","90","","1091.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C48 H44 N8 O8 Zn2 -","2","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0505","0.0429","","","0.1132","0.143","","","","","","1.074","","","","has coordinates","264294","2021-04-19","07:22:03",""
"1561890","10.0426","0.0016","14.643","0.002","15.916","0.003","90","","99.718","0.002","90","","2306.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O5 Zn -","- C24 H22 N4 O5 Zn -","- C96 H88 N16 O20 Zn4 -","4","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0717","0.0661","","","0.226","0.2384","","","","","","1.125","","","","has coordinates","264295","2021-04-19","07:22:13",""
"1561891","10.0929","0.0015","14.736","0.002","16.01","0.002","90","","99.655","0.002","90","","2347.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd N4 O5 -","- C24 H24 Cd N4 O5 -","- C96 H96 Cd4 N16 O20 -","4","1","","Wu, Wei-Ping; Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping; Wang, Yao-Yu","Three luminescent d10 metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu2+ ion and nitrobenzene","Journal of Solid State Chemistry","2015","228","","124","130","10.1016/j.jssc.2015.04.009","","","0.71073","MoKα","","0.0501","0.0336","","","0.0982","0.1413","","","","","","1.022","","","","has coordinates","264296","2021-04-19","07:22:26",""
"1561892","6.24984","0.00011","9.20083","0.00016","6.87485","0.00014","90","","90","","90","","395.329","0.013","295","","295","","","","","","","","","4","P n a m","-P 2c 2n","62","Mg2Cl(OH)3; 3 Mg(OH)2 1 MgCl2","","","- Cl H3 Mg2 O3 -","- Cl Mg2 O3 -","- Cl4 Mg8 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0265","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561893","6.24078","0.000074","9.18474","0.0001","6.85454","0.000085","90","","90","","90","","392.902","0.008","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni0.17Mg1.83Cl(OH)3; 3 Ni0.09Mg0.91(OH)2 1 Ni0.09Mg0.91Cl2","","","- Cl H3 Mg1.83 Ni0.17 O3 -","- Cl Mg1.835 Ni0.165 O3 -","- Cl4 Mg7.34 Ni0.66 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0156","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561894","6.23212","0.0002","9.16774","0.00028","6.82108","0.00023","90","","90","","90","","389.72","0.02","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni0.42Mg1.58Cl(OH)3; 3 Ni0.21Mg0.79(OH)2 1 Ni0.21Mg0.79Cl2","","","- Cl H3 Mg1.58 Ni0.42 O3 -","- Cl Mg1.58 Ni0.42 O3 -","- Cl4 Mg6.32 Ni1.68 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0152","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561895","6.22523","0.00022","9.15312","0.00029","6.8045","0.00022","90","","90","","90","","387.72","0.02","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni0.62Mg1.38Cl(OH)3; 3 Ni0.31Mg0.69(OH)2 1 Ni0.31Mg0.69Cl2","","","- Cl H3 Mg1.38 Ni0.62 O3 -","- Cl Mg1.3841 Ni0.6159 O3 -","- Cl4 Mg5.5364 Ni2.4636 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0145","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561896","3.195741","0.000038","3.195741","0.000038","5.50343","0.00018","90","","90","","120","","48.6751","0.0018","295","","295","","","","","","","","","5","P -3 m 1","-P 3 2""","164","Ni0.70Mg0.30Cl0.58(OH)1.42; Ni0.70Mg0.30Cl0.58(OH)1.42 (ss-type-OH)","","","- Cl0.58 H1.42 Mg0.3 Ni0.7 O1.42 -","- Cl0.58 Mg0.3 Ni0.7 O1.42 -","- Cl0.58 Mg0.3 Ni0.7 O1.42 -","1","0.0833333","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0188","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561897","6.21836","0.00043","9.14547","0.00062","6.78414","0.00045","90","","90","","90","","385.81","0.05","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni0.80Mg1.20Cl(OH)3; 3 Ni0.40Mg0.60(OH)2 1 Ni0.40Mg0.60Cl2","","","- Cl H3 Mg1.2 Ni0.8 O3 -","- Cl Mg1.194 Ni0.806 O3 -","- Cl4 Mg4.776 Ni3.224 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0144","","","","","","","","","has coordinates","288184","2023-12-08","14:47:14",""
"1561898","6.2043","0.00013","9.11702","0.00019","6.75943","0.00014","90","","90","","90","","382.345","0.014","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni1.14Mg0.86Cl(OH)3; 3 Ni0.57Mg0.43(OH)2 1 Ni0.57Mg0.43Cl2","","","- Cl H3 Mg0.86 Ni1.14 O3 -","- Cl Mg0.8612 Ni1.1388 O3 -","- Cl4 Mg3.4448 Ni4.5552 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0117","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561899","6.19795","0.00011","9.10544","0.00015","6.74979","0.00011","90","","90","","90","","380.925","0.011","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni1.30Mg0.70Cl(OH)3; 3 Ni0.65Mg0.35(OH)2 1 Ni0.65Mg0.35Cl2","","","- Cl H3 Mg0.7 Ni1.3 O3 -","- Cl Mg0.701 Ni1.299 O3 -","- Cl4 Mg2.804 Ni5.196 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0108","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561900","6.190923","0.000096","9.09284","0.00014","6.73708","0.0001","90","","90","","90","","379.251","0.01","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni1.46Mg0.54Cl(OH)3; 3 Ni0.73Mg0.27(OH)2 1 Ni0.73Mg0.27Cl2","","","- Cl H3 Mg0.54 Ni1.46 O3 -","- Cl Mg0.535 Ni1.465 O3 -","- Cl4 Mg2.14 Ni5.86 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0105","","","","","","","","","has coordinates","264298","2021-04-19","07:35:24",""
"1561901","6.180622","0.000078","9.07382","0.00011","6.723513","0.000083","90","","90","","90","","377.067","0.008","295","","295","","","","","","","","","5","P n a m","-P 2c 2n","62","Ni1.77Mg0.23Cl(OH)3; 3 Ni0.89Mg0.11(OH)2 1 Ni0.89Mg0.11Cl2","","","- Cl H3 Mg0.23 Ni1.77 O3 -","- Cl Mg0.23 Ni1.77 O3 -","- Cl4 Mg0.92 Ni7.08 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0099","","","","","","","","","has coordinates","264298","2021-04-19","07:35:25",""
"1561902","6.17913","0.00022","9.06844","0.00031","6.71721","0.00024","90","","90","","90","","376.4","0.02","295","","295","","","","","","","","","4","P n a m","-P 2c 2n","62","Ni2Cl(OH)3; 3 Ni(OH)2 1 NiCl2","","","- Cl H3 Ni2 O3 -","- Cl Ni2 O3 -","- Cl4 Ni8 O12 -","4","0.5","","Bette, Sebastian; Dinnebier, Robert E.; Röder, Christian; Freyer, Daniela","A solid solution series of atacamite type Ni2Mg2−2Cl(OH)3","Journal of Solid State Chemistry","2015","228","","131","140","10.1016/j.jssc.2015.04.015","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0281","","","","","","","","","has coordinates","264298","2021-04-19","07:35:25",""
"1561903","12.3741","0.0006","12.3741","0.0006","12.3741","0.0006","90","","90","","90","","1894.7","0.16","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2.5 Ni2 O12 V3 -","- Ca2.49 Ni2 O12 V3 -","- Ca19.92 Ni16 O96 V24 -","8","0.0833333","","Wang, Nannan; He, Zhangzhen; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; Tang, Yingying","Syntheses, structure and magnetic properties of two vanadate garnets Ca5M4V6O24 (M=Co, Ni)","Journal of Solid State Chemistry","2015","228","","245","249","10.1016/j.jssc.2015.05.004","","","0.71073","MoKα","","0.0263","0.0263","","","0.095","0.095","","","","","","1.293","","","","has coordinates","264299","2021-04-19","07:55:01",""
"1561904","12.4394","0.0004","12.4394","0.0004","12.4394","0.0004","90","","90","","90","","1924.86","0.11","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Ca5 Co4 O24 V6 -","- Ca5.04 Co4 O24 V6 -","- Ca20.16 Co16 O96 V24 -","4","0.0416667","","Wang, Nannan; He, Zhangzhen; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; Tang, Yingying","Syntheses, structure and magnetic properties of two vanadate garnets Ca5M4V6O24 (M=Co, Ni)","Journal of Solid State Chemistry","2015","228","","245","249","10.1016/j.jssc.2015.05.004","","","0.71073","MoKα","","0.0346","0.0346","","","0.0761","0.0761","","","","","","1.188","","","","has coordinates","264299","2021-04-19","07:55:04",""
"1561905","5.8376","0.0004","26.6895","0.0012","5.8393","0.0003","90","","118.843","0.0015","90","","796.92","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","barium europium aluminum silicon nitride","0.99barium 0.01europium trialuminum tetrasilicon nonanitrogen","","- Al3 Ba0.99 Eu0.01 N9 Si4 -","- Al3.00015 Ba0.99 Eu0.01 N9 Si3.99985 -","- Al12.0006 Ba3.96 Eu0.04 N36 Si15.9994 -","4","2","","Yamane, Hisanori; Yoshimura, Fumitaka","Synthesis, crystal structure and photoluminescence of (Ba0.99Eu0.01)Al3Si4N9","Journal of Solid State Chemistry","2015","228","","258","265","10.1016/j.jssc.2015.04.046","","","0.71075","MoKα","","0.1266","0.0922","","","0.1991","0.2323","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1561906","10.028","0.002","53.353","0.009","5.9215","0.0011","90","","90","","90","","3168.1","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","barium aluminum silicon nitride","monobarium trialuminum tetrasilicon nonanitrogen","","- Al3 Ba0.99 Eu0.01 N9 Si4 -","- Al3.0002 Ba0.99 Eu0.01 N9 Si3.9998 -","- Al48.0032 Ba15.84 Eu0.16 N144 Si63.9968 -","16","1","","Yamane, Hisanori; Yoshimura, Fumitaka","Synthesis, crystal structure and photoluminescence of (Ba0.99Eu0.01)Al3Si4N9","Journal of Solid State Chemistry","2015","228","","258","265","10.1016/j.jssc.2015.04.046","","","0.71073","MoKα","","0.115","0.0785","","","0.1942","0.2203","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1561907","10.37","0.003","10.37","0.003","5.7549","0.0019","90","","90","","120","","536","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- La3 S7 Sb0.33 Si -","- La3 S7 Sb0.33 Si -","- La6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0274","0.0271","","","0.0757","0.0758","","","","","","1.221","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1561908","10.224","0.004","10.224","0.004","5.711","0.003","90","","90","","120","","517","0.4","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Pr3 S7 Sb0.33 Si -","- Pr3 S7 Sb0.33 Si -","- Pr6 S14 Sb0.66 Si2 -","2","0.333333","","Zhao, Hua-Jun","Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)","Journal of Solid State Chemistry","2015","227","","5","9","10.1016/j.jssc.2015.03.010","","","0.71073","MoKα","","0.0211","0.0192","","","0.0435","0.0566","","","","","","1.248","","","","has coordinates","264301","2021-04-19","08:18:23",""
"1561909","9.1081","0.0007","9.1081","0.0007","2.9522","0.0002","90","","90","","90","","244.91","0.03","100","2","100","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- B2 Ru5 Si0.9 Ti2.11 -","- B2 Ru5 Si0.89 Ti2.11 -","- B4 Ru10 Si1.78 Ti4.22 -","2","0.125","","Xie, Weiwei; Fuccillo, M.K.; Phelan, B.F.; Luo, H.; Cava, R.J.","Stabilization of the Ti3Co5B2-type structure for Ti3−Si Ru5B2 through Si‒Ti substitution","Journal of Solid State Chemistry","2015","227","","92","97","10.1016/j.jssc.2015.03.029","","","0.71073","MoKα","","0.0144","0.0139","","","0.0312","0.0313","","","","","","1.372","","","","has coordinates","264302","2021-04-19","08:28:41",""
"1561910","8.2162","0.0001","8.2162","0.0001","14.3022","0.0005","90","","90","","90","","965.48","0.04","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba2 Cl Na S4 Sn -","- Ba2 Cl Na S4 Sn -","- Ba8 Cl4 Na4 S16 Sn4 -","4","0.125","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0379","0.0345","","","0.0782","0.0811","","","","","","1.179","","","","has coordinates","264303","2021-04-19","08:52:27",""
"1561911","8.3552","0.0007","8.3552","0.0007","14.454","0.002","90","","90","","90","","1009.02","0.18","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba2 Cl K S4 Sn -","- Ba2.01 Cl K0.99 S4 Sn -","- Ba8.04 Cl4 K3.96 S16 Sn4 -","4","0.125","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0251","0.0236","","","0.0581","0.0594","","","","","","1.303","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561912","12.5124","0.0004","9.8275","0.0002","8.8142","0.0003","90","","90","","90","","1083.84","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 Br K S4 Sn -","- Ba1.998 Br K1.002 S4 Sn -","- Ba7.992 Br4 K4.008 S16 Sn4 -","4","0.5","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0319","0.0277","","","0.0644","0.0664","","","","","","1.07","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561913","9.946","0.002","8.7928","0.0018","12.532","0.003","90","","90.75","0.03","90","","1095.9","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl Cs S4 Sn -","- Ba2 Cl Cs S4 Sn -","- Ba8 Cl4 Cs4 S16 Sn4 -","4","1","","Li, Chao; Feng, Kai; Tu, Heng; Yao, Jiyong; Wu, Yicheng","Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties","Journal of Solid State Chemistry","2015","227","","104","109","10.1016/j.jssc.2015.03.013","","","0.71073","MoKα","","0.0473","0.0389","","","0.0845","0.0885","","","","","","1.117","","","","has coordinates","264303","2021-04-19","08:52:28",""
"1561914","19.352","0.001","19.352","0.001","14.838","0.001","90","","90","","119.87","0.02","4818.6","1.1","293","2","293","2","","","","","","","","3","P 1 1 21/b","-P 2bc","14","CsCe2Cl7","","","- Ce8 Cl28 Cs4 -","- Ce8 Cl28 Cs4 -","- Ce32 Cl112 Cs16 -","4","1","","Zhuravleva, M.; Lindsey, A.; Chakoumakos, B.C.; Custelcean, R.; Meilleur, F.; Hughes, R.W.; Kriven, W.M.; Melcher, C.L.","Crystal structure and thermal expansion of a CsCe2Cl7 scintillator","Journal of Solid State Chemistry","2015","227","","142","149","10.1016/j.jssc.2015.03.032","","","0.71073","MoKα","","0.0734","0.0662","","","0.1459","0.15","","","","","","1.094","","","","has coordinates","264304","2021-04-19","08:58:23",""
"1561915","10.7796","0.0004","10.7796","0.0004","27.5862","0.0012","90","","90","","120","","2776.05","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce Mo16 O44 -","- Ce Mo16 O44 -","- Ce3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1353","0.0612","","0.0277","0.0224","0.0224","","","","","","1.0615","","","","has coordinates","264305","2021-04-19","09:09:10",""
"1561916","10.766","0.0007","10.766","0.0007","27.396","0.002","90","","90","","120","","2750","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Dy Mo16 O44 -","- Dy Mo16 O44 -","- Dy3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1454","0.0866","","0.1225","0.0896","0.0896","","","","","","1.1118","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561917","10.7737","0.0004","10.7737","0.0004","27.4062","0.0013","90","","90","","120","","2754.92","0.19","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ho Mo16 O44 -","- Ho Mo16 O44 -","- Ho3 Mo48 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1006","0.0908","","0.0469","0.0442","0.0442","","","","","","1.1782","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561918","10.7683","0.0003","10.7683","0.0003","27.5217","0.0007","90","","90","","120","","2763.76","0.13","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 Nd O44 -","- Mo16 Nd O44 -","- Mo48 Nd3 O132 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.1241","0.0693","","0.048","0.0326","0.0326","","","","","","1.2344","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561919","10.7597","0.0007","10.7597","0.0007","27.517","0.002","90","","90","","120","","2758.9","0.3","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Pr -","- Mo16 O44 Pr -","- Mo48 O132 Pr3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.2083","0.0768","","0.0397","0.016","0.016","","","","","","1.0872","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561920","10.76743","0.00019","10.76743","0.00019","27.4399","0.0006","90","","90","","120","","2755.1","0.09","293","","293","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo16 O44 Tb -","- Mo16 O44 Tb -","- Mo48 O132 Tb3 -","3","0.166667","","Schneemeyer, L.F.; Siegrist, T.; Besara, T.; Lundberg, M.; Sun, J.; Singh, D.J.","A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units","Journal of Solid State Chemistry","2015","227","","178","185","10.1016/j.jssc.2015.03.028","","","0.71073","MoKα","","0.0786","0.0588","","0.0613","0.0513","0.0513","","","","","","1.1749","","","","has coordinates","264305","2021-04-19","09:09:11",""
"1561921","6.4422","0.0013","9.038","0.0018","12.725","0.003","76.5","0.03","83.71","0.03","79.75","0.03","707.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Co3 N6 O20 P4 -","- C14 H28 Co3 N6 O20 P4 -","- C14 H28 Co3 N6 O20 P4 -","1","0.5","","Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin","Two novel metal‒organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties","Journal of Solid State Chemistry","2015","227","","212","218","10.1016/j.jssc.2015.03.036","","","0.71073","MoKα","","0.0581","0.035","","","0.0818","0.137","","","","","","0.964","","","","has coordinates","264306","2021-04-19","09:17:21",""
"1561922","18.122","0.004","8.9119","0.0018","15.697","0.003","90","","92.45","0.03","90","","2532.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Cd2 N2 O10 P2 -","- C6 H9 Cd2 N2 O10 P2 -","- C48 H72 Cd16 N16 O80 P16 -","8","1","","Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin","Two novel metal‒organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties","Journal of Solid State Chemistry","2015","227","","212","218","10.1016/j.jssc.2015.03.036","","","0.71073","MoKα","","0.0461","0.034","","","0.0844","0.109","","","","","","0.745","","","","has coordinates","264306","2021-04-19","09:17:21",""
"1561923","6.049","0.006","6.049","0.006","6.049","0.006","90","","90","","90","","221.3","0.4","828","5","828","5","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium antimony telluride","","","- Ge0.555 Sb0.297 Te -","- Ge0.55 Sb0.3 Te -","- Ge2.2 Sb1.2 Te4 -","4","0.0208333","","Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver","Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides","Journal of Solid State Chemistry","2015","227","","223","231","10.1016/j.jssc.2015.04.007","","x-ray","0.40663","synchrotron","","0.0284","0.0238","","","0.0363","0.0389","","","","1.24","1.24","1.28","","","","has coordinates","264307","2021-04-19","09:24:15",""
"1561924","5.979","0.004","5.979","0.004","5.979","0.004","90","","90","","90","","213.7","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium antimony telluride","","","- Ge0.605 Sb0.263 Te -","- Ge0.608 Sb0.264 Te -","- Ge2.432 Sb1.056 Te4 -","4","0.0208333","","Urban, Philipp; Schneider, Matthias N.; Oeckler, Oliver","Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides","Journal of Solid State Chemistry","2015","227","","223","231","10.1016/j.jssc.2015.04.007","","x-ray","0.40681","synchrotron","","0.0373","0.0365","","","0.051","0.0513","","","","1.87","1.87","1.85","","","","has coordinates","264307","2021-04-19","09:24:15",""
"1561925","6.6291","0.0002","15.0616","0.0009","15.4615","0.001","91.482","0.003","90.113","0.004","90.967","0.004","1543.01","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 O8 Tb -","- C13 H19 O8 Tb -","- C52 H76 O32 Tb4 -","4","2","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0471","0.036","","","0.0899","0.0931","","","","","","1.13","","","","has coordinates,has disorder","264308","2021-04-19","09:29:24",""
"1561926","23.9695","0.0014","6.7843","0.0005","9.2303","0.0003","90","","90","","90","","1501","0.15","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H19 O7 Tb -","- C14 H19 O7 Tb -","- C56 H76 O28 Tb4 -","4","0.5","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0591","0.0542","","","0.1359","0.1388","","","","","","1.26","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561927","12.5906","0.0005","14.9088","0.0006","21.9753","0.0006","82.214","0.002","85.027","0.002","70.73","0.002","3854.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H108 O36 Tb4 -","- C72 H108 O36 Tb4 -","- C144 H216 O72 Tb8 -","2","1","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0688","0.035","","","0.0745","0.0833","","","","","","0.937","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561928","15.283","0.0002","24.9021","0.0006","10.6168","0.0003","90","","90","","90","","4040.53","0.16","150","2","150","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C60 H88 N26 O38 Tb2 -","- C60 H88 N26 O38 Tb2 -","- C120 H176 N52 O76 Tb4 -","2","0.25","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0418","0.036","","","0.1059","0.1083","","","","","","1.072","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561929","16.9255","0.0009","11.4336","0.0004","21.2979","0.001","90","","111.818","0.003","90","","3826.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 N26 O31 Tb2 -","- C68 H90 N26 O31 Tb2 -","- C136 H180 N52 O62 Tb4 -","2","0.5","","Thuéry, Pierre","Structural variations in terbium(III) complexes with 1,3-adamantanedicarboxylate and diverse co-ligands","Journal of Solid State Chemistry","2015","227","","265","272","10.1016/j.jssc.2015.01.036","","","0.71073","MoKα","","0.0634","0.0344","","","0.07","0.0764","","","","","","0.963","","","","has coordinates","264308","2021-04-19","09:29:25",""
"1561930","16.079","0.003","18.774","0.003","14.286","0.002","90","","90","","90","","4312.5","1.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H32 Mn2 N4 O18 S4 -","- C24 H32 Mn2 N4 O18 S4 -","- C96 H128 Mn8 N16 O72 S16 -","4","0.5","","Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping","In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","227","","87","91","10.1016/j.jssc.2015.03.008","","","0.71073","MoKα","","0.0898","0.0746","","","0.1914","0.2006","","","","","","1.087","","","","has coordinates","264309","2021-04-19","09:35:26",""
"1561931","20.624","0.003","4.6502","0.0006","18.568","0.002","90","","116.223","0.002","90","","1597.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 Ni O8 S2 -","- C12 H14 N2 Ni O8 S2 -","- C48 H56 N8 Ni4 O32 S8 -","4","0.5","","Han, Yinfeng; Wang, Chang-an; Zheng, Zebao; Sun, Jiafeng; Nie, Kun; Zuo, Jian; Zhang, Jianping","In situ ligand generation for novel Mn(II) and Ni(II) coordination polymers with disulfide ligand: Solvothermal syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","227","","87","91","10.1016/j.jssc.2015.03.008","","","0.71073","MoKα","","0.0626","0.0584","","","0.1562","0.1589","","","","","","1.108","","","","has coordinates","264309","2021-04-19","09:35:30",""
"1561932","7.0501","0.0012","8.2312","0.0011","30.203","0.002","90","","94.8","0.001","90","","1746.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Mn N4 O5 -","- C17 H14 Mn N4 O5 -","- C68 H56 Mn4 N16 O20 -","4","1","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1481","0.0969","","","0.2295","0.2796","","","","","","1.08","","","","has coordinates","264310","2021-04-19","09:40:57",""
"1561933","5.0151","0.0004","6.6806","0.0006","18.6429","0.0017","94.205","0.001","97.497","0.001","106.517","0.002","589.7","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Fe N6 O10 -","- C22 H19 Fe N6 O10 -","- C22 H19 Fe N6 O10 -","1","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1387","0.084","","","0.1449","0.1672","","","","","","1.134","","","","has coordinates","264310","2021-04-19","09:40:58",""
"1561934","5.0376","0.0004","6.6411","0.0007","18.578","0.0017","81.14","0.002","82.46","0.002","73.137","0.001","585.24","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N6 O10 -","- C22 H20 Co N6 O10 -","- C22 H20 Co N6 O10 -","1","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1812","0.1183","","","0.297","0.3649","","","","","","1.114","","","","has coordinates","264310","2021-04-19","09:40:58",""
"1561935","5.0781","0.0006","6.7011","0.0007","18.2742","0.0017","94.294","0.001","97.715","0.001","107.295","0.002","584.01","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N6 O10 Zn -","- C22 H20 N6 O10 Zn -","- C22 H20 N6 O10 Zn -","1","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1291","0.118","","","0.3202","0.3257","","","","","","1.176","","","","has coordinates","264310","2021-04-19","09:41:00",""
"1561936","10.252","0.003","13.228","0.003","20.553","0.005","90","","90","","90","","2787.3","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H22 N6 O13 Zn3 -","- C22 H20 N6 O12 Zn3 -","- C88 H80 N24 O48 Zn12 -","4","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.0816","0.0574","","","0.1681","0.1914","","","","","","1.096","","","","has coordinates","264310","2021-04-19","09:41:11",""
"1561937","5.0066","0.0004","6.9794","0.0005","17.8542","0.001","94.191","0.005","94.702","0.005","104.881","0.006","598.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N6 O10 -","- C22 H20 Cd N6 O10 -","- C22 H20 Cd N6 O10 -","1","0.5","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.0428","0.0351","","","0.062","0.0644","","","","","","1.027","","","","has coordinates","264310","2021-04-19","09:41:13",""
"1561938","19.181","0.0017","6.7195","0.0005","9.9133","0.0007","90","","90","","90","","1277.69","0.17","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C17 H13 Cd N4 O4 -","- C17 H12 Cd N4 O4 -","- C34 H24 Cd2 N8 O8 -","2","0.25","","Mu, Bao; Li, Qian; Lv, Lei; Yang, Dan-Dan; Wang, Qing; Huang, Ru-Dan","Assembly and property research on seven 0D‒3D complexes derived from imidazole dicarboxylate and 1,2-bi(pyridin-4-yl)ethene","Journal of Solid State Chemistry","2015","226","","1","10","10.1016/j.jssc.2015.01.032","","","0.71073","MoKα","","0.1307","0.1122","","","0.277","0.2929","","","","","","1.102","","","","has coordinates","264310","2021-04-19","09:41:16",""
"1561939","19.8431","0.0005","9.1292","0.0002","20.7267","0.0005","90","","106.359","0.003","90","","3602.67","0.16","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Co2 N4 O12 -","- C36 H32 Co2 N4 O12 -","- C144 H128 Co8 N16 O48 -","4","1","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","One-dimensional Co(II)/Ni(II) complexes of 2-hydroxyisophthalate: Structures and magnetic properties","Journal of Solid State Chemistry","2015","226","","36","41","10.1016/j.jssc.2015.01.029","","","0.71073","MoKα","","0.0376","0.0306","","","0.0762","0.0814","","","","","","1.1","","","","has coordinates","264311","2021-04-19","09:46:46",""
"1561940","10.34","0.0005","9.0163","0.0003","20.0629","0.0007","90","","101.415","0.004","90","","1833.44","0.13","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 Ni O6 -","- C18 H16 N2 Ni O6 -","- C72 H64 N8 Ni4 O24 -","4","1","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","One-dimensional Co(II)/Ni(II) complexes of 2-hydroxyisophthalate: Structures and magnetic properties","Journal of Solid State Chemistry","2015","226","","36","41","10.1016/j.jssc.2015.01.029","","","0.71073","MoKα","","0.0484","0.032","","","0.0621","0.0653","","","","","","0.9433","","","","has coordinates","264311","2021-04-19","09:46:46",""
"1561958","7.217","0.0014","9.295","0.0019","16.374","0.003","89.88","0.03","85.25","0.03","87.35","0.03","1093.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 N2 O14 S U -","- C14 H20 N2 O14 S U -","- C28 H40 N4 O28 S2 U2 -","2","1","","Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.","Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence","Journal of Solid State Chemistry","2015","226","","42","49","10.1016/j.jssc.2015.01.033","","","0.7108","Synchrotron","","0.0501","0.0386","","","0.1117","0.1232","","","","","","0.975","","","","has coordinates","264366","2021-04-21","09:29:54",""
"1561959","12.647","0.003","13.284","0.003","24.926","0.005","90","","90","","90","","4187.6","1.6","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C5 H N O16.83 U3 -","- C5 H N O16.8331 U3 -","- C40 H8 N8 O134.665 U24 -","8","1","","Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.","Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence","Journal of Solid State Chemistry","2015","226","","42","49","10.1016/j.jssc.2015.01.033","","","0.7293","Synchrotron","","0.0627","0.0612","","","0.1416","0.1424","","","","","","1.149","","","","has coordinates","264367","2021-04-21","09:30:07",""
"1561960","11.683","0.002","16.583","0.003","22.832","0.005","90","","90","","90","","4423.5","1.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H4 O30 U3 -","- C20 H4 O30 U3 -","- C80 H16 O120 U12 -","4","0.5","","Zhang, Yingjie; Bhadbhade, Mohan; Karatchevtseva, Inna; Price, Jason R.; Liu, Hao; Zhang, Zhaoming; Kong, Linggen; Čejka, Jiří; Lu, Kim; Lumpkin, Gregory R.","Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence","Journal of Solid State Chemistry","2015","226","","42","49","10.1016/j.jssc.2015.01.033","","","0.7293","Synchrotron","","0.0471","0.0452","","","0.1193","0.1206","","","","","","1.055","","","","has coordinates","264368","2021-04-21","09:31:25",""
"1561961","16.4076","0.0011","13.8565","0.001","14.147","0.001","90","","90","","90","","3216.3","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Co2 N4 O11 -","- C38 H28 Co2 N4 O11 -","- C152 H112 Co8 N16 O44 -","4","0.5","","Lin, Hong-Yan; Lu, Huizhe; Le, Mao; Luan, Jian; Wang, Xiu-Li; Liu, Guocheng; Zhang, Juwen","Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers","Journal of Solid State Chemistry","2015","226","","66","73","10.1016/j.jssc.2015.02.002","","","0.71073","MoKα","","0.0397","0.033","","","0.0962","0.1003","","","","","","1.052","","","","has coordinates","264369","2021-04-21","09:36:06",""
"1561962","11.3517","0.0006","13.3887","0.0007","16.9501","0.0009","90","","97.721","0.001","90","","2552.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Co N4 O7 -","- C28 H24 Co N4 O7 -","- C112 H96 Co4 N16 O28 -","4","1","","Lin, Hong-Yan; Lu, Huizhe; Le, Mao; Luan, Jian; Wang, Xiu-Li; Liu, Guocheng; Zhang, Juwen","Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers","Journal of Solid State Chemistry","2015","226","","66","73","10.1016/j.jssc.2015.02.002","","","0.71073","MoKα","","0.0424","0.0364","","","0.1019","0.1046","","","","","","1.034","","","","has coordinates","264369","2021-04-21","09:36:06",""
"1561963","10.1798","0.0004","14.193","0.0006","17.2866","0.0007","90","","92.457","0.001","90","","2495.3","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Co N4 O6 -","- C30 H20 Co N4 O6 -","- C120 H80 Co4 N16 O24 -","4","1","","Lin, Hong-Yan; Lu, Huizhe; Le, Mao; Luan, Jian; Wang, Xiu-Li; Liu, Guocheng; Zhang, Juwen","Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers","Journal of Solid State Chemistry","2015","226","","66","73","10.1016/j.jssc.2015.02.002","","","0.71073","MoKα","","0.0375","0.0298","","","0.0775","0.0815","","","","","","1.025","","","","has coordinates","264369","2021-04-21","09:36:06",""
"1561964","6.7784","0.0014","11.68","0.002","7.6622","0.0016","90","","107.271","0.003","90","","579.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Eu2 Na8 S12 Si4 -","- Eu2 Na8 S12 Si4 -","- Eu2 Na8 S12 Si4 -","1","0.125","","Choudhury, Amitava; Ghosh, Kartik; Grandjean, Fernande; Long, Gary J.; Dorhout, Peter K.","Structural, optical, and magnetic properties of Na8Eu2(Si2S6)2 and Na8Eu2(Ge2S6)2: Europium(II) quaternary chalcogenides that contain an ethane-like (Si2S6)6− or (Ge2S6)6− moiety","Journal of Solid State Chemistry","2015","226","","74","80","10.1016/j.jssc.2015.02.006","","","0.71073","MoKα","","0.0671","0.0606","","","0.1375","0.14","","","","","","1.392","","","","has coordinates","264370","2021-04-21","09:39:33",""
"1561965","6.8487","0.0014","11.812","0.002","7.7352","0.0016","90","","107.164","0.003","90","","597.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Eu2 Ge4 Na8 S12 -","- Eu2 Ge4 Na8 S12 -","- Eu2 Ge4 Na8 S12 -","1","0.125","","Choudhury, Amitava; Ghosh, Kartik; Grandjean, Fernande; Long, Gary J.; Dorhout, Peter K.","Structural, optical, and magnetic properties of Na8Eu2(Si2S6)2 and Na8Eu2(Ge2S6)2: Europium(II) quaternary chalcogenides that contain an ethane-like (Si2S6)6− or (Ge2S6)6− moiety","Journal of Solid State Chemistry","2015","226","","74","80","10.1016/j.jssc.2015.02.006","","","0.71073","MoKα","","0.0392","0.0305","","","0.0657","0.0683","","","","","","1.082","","","","has coordinates","264370","2021-04-21","09:39:34",""
"1561966","7.2438","0.0003","10.0815","0.0004","49.0616","0.0017","90","","90","","90","","3582.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Li3 O25 W7 -","- As Li3 O25 W7 -","- As8 Li24 O200 W56 -","8","1","","Zhao, Pei; Mangir Murshed, M.; Huq, Ashfia; Grossmann, Henrike K.; Mädler, Lutz; Alekseev, Evgeny V.; Gesing, Thorsten M.","Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization","Journal of Solid State Chemistry","2015","226","","81","87","10.1016/j.jssc.2015.02.009","","","0.71073","MoKα","","0.0825","0.0552","","","0.133","0.1433","","","","","","1.141","","","","has coordinates","264371","2021-04-21","09:44:27",""
"1561967","22.2664","0.0005","22.2664","0.0005","12.561","0.0005","90","","90","","120","","5393.3","0.3","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108 H160 Cu6 Mo36 N48 O130 P3 -","- C108 H159.96 Cu6 Mo36 N48 O129.98 P3 -","- C108 H159.96 Cu6 Mo36 N48 O129.98 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.1458","0.0909","","","0.2222","0.2604","","","","","","1.036","","","","has coordinates,has disorder","264372","2021-04-21","09:47:08",""
"1561968","22.2807","0.0009","22.2807","0.0009","12.6044","0.0007","90","","90","","120","","5418.9","0.4","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C108 H160 Cu6 Mo36 N48 O122 P3 -","- C108 H159.96 Cu6 Mo36 N48 O121.96 P3 -","- C108 H159.96 Cu6 Mo36 N48 O121.96 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.134","0.0854","","","0.2107","0.2544","","","","","","1.048","","","","has coordinates,has disorder","264372","2021-04-21","09:47:09",""
"1561969","22.2555","0.0009","22.2555","0.0009","12.5854","0.0008","90","","90","","120","","5398.5","0.5","293","2","293","2","","","","","","","","8","P -3","-P 3","147","","","","- C108 H156 Cl Mo36 N48 Ni6 O126 P3 -","- C108 H156 Cl Mo36 N48 Ni6 O126.02 P3 -","- C108 H156 Cl Mo36 N48 Ni6 O126.02 P3 -","1","0.166667","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.1749","0.0973","","","0.2307","0.2978","","","","","","1.025","","","","has coordinates,has disorder","264372","2021-04-21","09:47:09",""
"1561970","12.1343","0.0007","13.5519","0.0009","18.7733","0.0018","68.895","0.007","73.968","0.007","69.981","0.006","2664.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H86 Co5 N16 O80 P2 W18 -","- C40 H86 Co5 N16 O80 P2 W18 -","- C40 H86 Co5 N16 O80 P2 W18 -","1","0.5","","Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan","Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands","Journal of Solid State Chemistry","2015","226","","88","93","10.1016/j.jssc.2015.02.005","","","0.71073","MoKα","","0.1199","0.0718","","","0.1334","0.1701","","","","","","1.031","","","","has coordinates","264372","2021-04-21","09:47:09",""
"1561974","9.7937","0.0002","9.7937","0.0002","5.7492","0.0002","90","","90","","90","","551.44","0.02","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ag4 Eu In8 -","- Ag4 Eu In8 -","- Ag8 Eu2 In16 -","2","0.0625","","Subbarao, Udumula; Sarkar, Sumanta; Peter, Sebastian C.","Crystal structure and properties of tetragonal EuAg4In8 grown by metal flux technique","Journal of Solid State Chemistry","2015","226","","126","132","10.1016/j.jssc.2015.02.013","","","0.71073","MoKα","","0.0366","0.0359","","","0.0856","0.0862","","","","","","1.181","","","","has coordinates","264392","2021-04-22","07:18:02",""
"1561975","10.0009","0.0016","15.472","0.003","18.563","0.003","90","","91.811","0.002","90","","2870.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 Co N4 O9 -","- C22 H26 Co N4 O9 -","- C88 H104 Co4 N16 O36 -","4","1","","Ye, Jing; Gou, Yongxia; Xu, Zhen-Liang; Xu, Haitao","Selectively catalytic micro- and nanocrystals of metal‒organic framework [Co(4-bpdh)(HIA)]∝","Journal of Solid State Chemistry","2015","226","","142","146","10.1016/j.jssc.2014.12.012","","","0.71073","MoKα","","0.1559","0.1092","","","0.2948","0.3293","","","","","","1.069","","","","has coordinates","264393","2021-04-22","07:21:54",""
"1561976","17.5919","0.001","8.4719","0.0005","8.5825","0.0005","90","","98.919","0.001","90","","1263.64","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N8 O6 Zn -","- C6 H10 N8 O6 Zn -","- C24 H40 N32 O24 Zn4 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Xu, Ya-Ping; Shen, Ping; Hu, Shao-Jun; Sui, Yan","Synthesis, structures, and properties of three Zn(II), Mn(II), and Cd(II) compounds based on tetrazole-1-acetic ligand","Journal of Solid State Chemistry","2015","226","","186","191","10.1016/j.jssc.2015.02.024","","","0.71073","MoKα","","0.0258","0.0223","","","0.0573","0.0596","","","","","","1.072","","","","has coordinates","264394","2021-04-22","07:51:39",""
"1561977","15.8873","0.001","4.9282","0.0003","30.1864","0.0019","90","","100.735","0.001","90","","2322.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N16 O10 -","- C12 H18 Mn N16 O10 -","- C48 H72 Mn4 N64 O40 -","4","0.5","","Liu, Dong-Sheng; Chen, Wen-Tong; Xu, Ya-Ping; Shen, Ping; Hu, Shao-Jun; Sui, Yan","Synthesis, structures, and properties of three Zn(II), Mn(II), and Cd(II) compounds based on tetrazole-1-acetic ligand","Journal of Solid State Chemistry","2015","226","","186","191","10.1016/j.jssc.2015.02.024","","","0.71073","MoKα","","0.0338","0.0301","","","0.0723","0.0756","","","","","","1.054","","","","has coordinates","264394","2021-04-22","07:51:40",""
"1561978","14.764","0.004","8.8529","0.0019","9.509","0.002","90","","118.494","0.004","90","","1092.3","0.4","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cd N8 O4 -","- C6 H6 Cd N8 O4 -","- C24 H24 Cd4 N32 O16 -","4","0.5","","Liu, Dong-Sheng; Chen, Wen-Tong; Xu, Ya-Ping; Shen, Ping; Hu, Shao-Jun; Sui, Yan","Synthesis, structures, and properties of three Zn(II), Mn(II), and Cd(II) compounds based on tetrazole-1-acetic ligand","Journal of Solid State Chemistry","2015","226","","186","191","10.1016/j.jssc.2015.02.024","","","0.71073","MoKα","","0.024","0.0235","","","0.0559","0.0562","","","","","","1.131","","","","has coordinates","264394","2021-04-22","07:51:40",""
"1561979","17.0824","0.0012","11.8393","0.001","19.2662","0.001","90","","106.856","0.004","90","","3729.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H50 Cu4 F12 N6 O20 -","- C74 H42 Cu4 F12 N6 O20 -","- C148 H84 Cu8 F24 N12 O40 -","2","0.5","","Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing","New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates","Journal of Solid State Chemistry","2015","226","","206","214","10.1016/j.jssc.2015.02.028","","","0.71073","MoKα","","0.0561","0.0336","","","0.0839","0.0926","","","","","","0.994","","","","has coordinates","264395","2021-04-22","07:57:12",""
"1561980","24.815","0.005","13.262","0.003","14.236","0.003","90","","90","","90","","4685","1.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C43 H40 Co2 F6 N4 O13 -","- C43 H22 Co2 F6 N4 O13 -","- C172 H88 Co8 F24 N16 O52 -","4","0.5","","Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing","New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates","Journal of Solid State Chemistry","2015","226","","206","214","10.1016/j.jssc.2015.02.028","","","0.71073","MoKα","","0.1162","0.0684","","","0.1659","0.1909","","","","","","1.03","","","","has coordinates","264395","2021-04-22","07:57:24",""
"1561981","24.19","0.002","11.8942","0.0013","8.6837","0.0007","90","","97.969","0.006","90","","2474.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 Ni O10 -","- C28 H14 N2 Ni O10 -","- C112 H56 N8 Ni4 O40 -","4","0.5","","Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing","New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates","Journal of Solid State Chemistry","2015","226","","206","214","10.1016/j.jssc.2015.02.028","","","0.71073","MoKα","","0.0602","0.0492","","","0.1365","0.1457","","","","","","1.079","","","","has coordinates","264395","2021-04-22","07:57:28",""
"1561982","17.751","0.0009","17.5007","0.0011","18.028","0.0009","90","","108.108","0.0019","90","","5323.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 N8 O14 Ru Zn2 -","- C58 H42 N8 O14 Ru Zn2 -","- C232 H168 N32 O56 Ru4 Zn8 -","4","1","","Xu, Hui; Gao, Junkuo; Wang, Jiangpeng; Qian, Xuefeng; Song, Ruijing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","Surfactant-thermal method to synthesize a new Zn(II)-trimesic MOF with confined Ru(bpy)32+ complex","Journal of Solid State Chemistry","2015","226","","295","298","10.1016/j.jssc.2015.03.012","","","0.71073","MoKα","","0.1239","0.061","","","0.1272","0.1827","","","","","","1.038","","","","has coordinates","264396","2021-04-22","08:06:53",""
"1561983","4.008","0.0002","21.3652","0.0008","10.6229","0.0004","90","","90","","90","","909.66","0.07","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Sc Se5 U -","- Cs Sc Se5 U -","- Cs4 Sc4 Se20 U4 -","4","0.25","","Ward, Matthew D.; Lee, Minseong; Choi, Eun Sang; Ibers, James A.","Synthesis and characterization of the quaternary scandium uranium selenide CsScUSe3(Se2)","Journal of Solid State Chemistry","2015","226","","307","311","10.1016/j.jssc.2015.03.011","","","0.71073","MoKα","","0.0564","0.0437","","","0.1077","0.1165","","","","","","1.14","","","","has coordinates","264397","2021-04-22","08:32:31",""
"1561984","6.8166","0.0014","8.0452","0.0016","11.276","0.002","97.33","0.03","106.82","0.03","112.17","0.03","528.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Cu N7 O2 -","- C8 H5 Cu N7 O2 -","- C16 H10 Cu2 N14 O4 -","2","1","","Zhang, Shu-Ming; Chen, Yu-Huan; Wang, Li-Hua; Wang, Gui-Xiang","Two novel azido-copper(II) complexes with 4-(1H-tetrazol-1-yl) carboxylate: Synthesis, crystal structure, and magnetism","Journal of Solid State Chemistry","2015","226","","201","205","10.1016/j.jssc.2015.02.025","","","0.71073","MoKα","","0.0397","0.0295","","","0.0678","0.071","","","","","","1.09","","","","has coordinates","264398","2021-04-22","08:38:37",""
"1561985","13.58","0.003","13.704","0.003","17.22","0.003","90","","101.41","0.03","90","","3141.3","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cu3 N20 O7 -","- C19 H18 Cu3 N20 O7 -","- C76 H72 Cu12 N80 O28 -","4","1","","Zhang, Shu-Ming; Chen, Yu-Huan; Wang, Li-Hua; Wang, Gui-Xiang","Two novel azido-copper(II) complexes with 4-(1H-tetrazol-1-yl) carboxylate: Synthesis, crystal structure, and magnetism","Journal of Solid State Chemistry","2015","226","","201","205","10.1016/j.jssc.2015.02.025","","","0.71073","MoKα","","0.0745","0.0512","","","0.0981","0.1055","","","","","","1.139","","","","has coordinates,has disorder","264398","2021-04-22","08:38:40",""
"1561986","22.052","0.007","9.528","0.003","16.899","0.006","90","","96.897","0.004","90","","3525","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N2 O10 Sm -","- C14 H12 Ag N2 O10 Sm -","- C112 H96 Ag8 N16 O80 Sm8 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0681","0.0484","","","0.1185","0.1313","","","","","","1.039","","","","has coordinates","264399","2021-04-22","08:50:10",""
"1561987","22.117","0.003","9.525","0.0013","16.865","0.002","90","","97.126","0.002","90","","3525.4","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag Eu N2 O10 -","- C14 H12 Ag Eu N2 O10 -","- C112 H96 Ag8 Eu8 N16 O80 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0404","0.0339","","","0.0881","0.0929","","","","","","1.039","","","","has coordinates","264399","2021-04-22","08:50:13",""
"1561988","22.13","0.004","9.5164","0.0019","16.828","0.003","90","","97.086","0.002","90","","3516.9","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag Gd N2 O10 -","- C14 H12 Ag Gd N2 O10 -","- C112 H96 Ag8 Gd8 N16 O80 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0428","0.0349","","","0.087","0.0932","","","","","","1.064","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561989","22.137","0.004","9.5064","0.0018","16.788","0.003","90","","96.953","0.002","90","","3506.9","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N2 O10 Tb -","- C14 H12 Ag N2 O10 Tb -","- C112 H96 Ag8 N16 O80 Tb8 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0367","0.0317","","","0.0747","0.0772","","","","","","1.008","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561990","22.2","0.008","9.49","0.003","16.783","0.006","90","","96.537","0.004","90","","3513","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag Dy N2 O10 -","- C14 H12 Ag Dy N2 O10 -","- C112 H96 Ag8 Dy8 N16 O80 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0474","0.0394","","","0.0955","0.0994","","","","","","1.037","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561991","22.162","0.009","9.459","0.004","16.683","0.007","90","","96.586","0.005","90","","3474","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag Ho N2 O10 -","- C14 H12 Ag Ho N2 O10 -","- C112 H96 Ag8 Ho8 N16 O80 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0719","0.0497","","","0.1222","0.1374","","","","","","1.021","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561992","22.075","0.007","9.446","0.003","16.685","0.005","90","","96.828","0.004","90","","3454.5","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N2 O10 Y -","- C14 H12 Ag N2 O10 Y -","- C112 H96 Ag8 N16 O80 Y8 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0812","0.0526","","","0.1319","0.1455","","","","","","1.062","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561993","22.09","0.01","9.378","0.004","16.508","0.007","90","","96.735","0.006","90","","3396","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N2 O10 Yb -","- C14 H12 Ag N2 O10 Yb -","- C112 H96 Ag8 N16 O80 Yb8 -","8","1","","Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang","Syntheses, crystal structures and properties of series of 4d‒4f ln(III)‒Ag(I) heterometallic coordination polymers","Journal of Solid State Chemistry","2015","225","","24","30","10.1016/j.jssc.2014.11.022","","","0.71073","MoKα","","0.0858","0.0589","","","0.1574","0.1744","","","","","","1.065","","","","has coordinates","264399","2021-04-22","08:50:14",""
"1561994","8.311","0.002","21.674","0.006","13.501","0.004","90","","103.323","0.005","90","","2366.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl8 Mn N12 O8 -","- C38 H32 Cl8 Mn N12 O8 -","- C76 H64 Cl16 Mn2 N24 O16 -","2","0.5","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.1877","0.0754","","","0.1842","0.2385","","","","","","0.936","","","","has coordinates","264400","2021-04-22","08:54:26",""
"1561995","15.323","0.003","8.5227","0.0017","19.819","0.004","90","","109.58","0.03","90","","2438.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Mn N14 -","- C24 H20 Mn N14 -","- C96 H80 Mn4 N56 -","4","0.5","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.0536","0.0427","","","0.0841","0.0875","","","","","","1.137","","","","has coordinates","264400","2021-04-22","08:54:29",""
"1561996","7.5757","0.0015","11.849","0.002","13.93","0.003","90","","97.95","0.03","90","","1238.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Mn N8 O4 -","- C26 H22 Mn N8 O4 -","- C52 H44 Mn2 N16 O8 -","2","0.5","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.1308","0.0771","","","0.1537","0.1776","","","","","","1.076","","","","has coordinates","264400","2021-04-22","08:54:29",""
"1561997","7.5943","0.0015","16.96","0.003","10.497","0.002","90","","92.01","0.03","90","","1351.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H26 Mn N8 O4 -","- C28 H26 Mn N8 O4 -","- C56 H52 Mn2 N16 O8 -","2","0.25","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.03","0.0276","","","0.0641","0.0651","","","","","","1.106","","","","has coordinates","264400","2021-04-22","08:54:30",""
"1561998","10.045","0.003","10.241","0.003","12.436","0.003","108.938","0.005","104.409","0.005","93.332","0.005","1158.4","0.6","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H28 Cl8 F6 Mn N8 O6 S2 -","- C30 H28 Cl8 F6 Mn N8 O6 S2 -","- C30 H28 Cl8 F6 Mn N8 O6 S2 -","1","0.5","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.0778","0.0632","","","0.1663","0.18","","","","","","1.025","","","","has coordinates","264400","2021-04-22","08:54:30",""
"1561999","19.78","0.02","9.754","0.012","11.84","0.014","90","","97.39","0.02","90","","2265","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Mn N8 O4 S -","- C24 H20 Mn N8 O4 S -","- C96 H80 Mn4 N32 O16 S4 -","4","0.5","","Ye, Gan; Zou, Kang-Yu; Yang, Ying; Wang, Jun-Jie; Gou, Xiao-Feng; Li, Zuo-Xi","Anion effect on the topological frameworks of a series of manganese coordination polymers based on 1,4-bis(imidazol-1-yl)-benzene: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2015","225","","31","40","10.1016/j.jssc.2014.11.015","","","0.71073","MoKα","","0.0342","0.0308","","","0.0789","0.0818","","","","","","1.052","","","","has coordinates","264400","2021-04-22","08:54:30",""
"1562000","9.6065","0.0016","14.179","0.002","10.494","0.0018","90","","92.379","0.002","90","","1428.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cu N2 O8 -","- C30 H32 Cu N2 O8 -","- C60 H64 Cu2 N4 O16 -","2","0.5","","Jin, Xin; Zhou, Pei; Zheng, Chunying; Li, Hui","A new coordination mode of (E)-3-(3-hydroxyl-phenyl)-acrylic acid in copper complex: Crystal structure and magnetic properties","Journal of Solid State Chemistry","2015","225","","41","44","10.1016/j.jssc.2014.11.021","","","0.71073","MoKα","","0.0355","0.031","","","0.0762","0.079","","","","","","1.004","","","","has coordinates","264402","2021-04-22","08:58:39",""
"1562001","17.0919","0.0008","10.2916","0.0008","20.2494","0.0016","90","","92.743","0.006","90","","3557.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Bi2 Mn O13 -","- C18 H6 Bi2 Mn O13 -","- C144 H48 Bi16 Mn8 O104 -","8","1","","Shi, Fa-Nian; Rosa Silva, Ana; Bian, Liang","Bi‒Mn mixed metal organic oxide: A novel 3d-6p mixed metal coordination network","Journal of Solid State Chemistry","2015","225","","45","52","10.1016/j.jssc.2014.11.027","","","0.71073","MoKα","","0.0835","0.0531","","","0.106","0.1183","","","","","","1.045","","","","has coordinates","264403","2021-04-22","09:01:43",""
"1562002","5.4344","0.0003","7.3793","0.0004","7.984","0.0004","103.243","0.003","109.27","0.004","87.391","0.002","294.04","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","lithium sodium boron phosphorous oxide","dilithium monosodium triboron monophosphorous oxide","","- B Li2 Na O8 P2 -","- B Li2 Na O8 P2 -","- B2 Li4 Na2 O16 P4 -","2","1","","Hasegawa, Toru; Yamane, Hisanori","Synthesis and crystal structure analysis of Li2NaBP2O8 and LiNa2B5P2O14","Journal of Solid State Chemistry","2015","225","","65","71","10.1016/j.jssc.2014.11.024","","","0.71075","MoKα","","0.0256","0.0231","","","0.0651","0.0669","","","","","","1.081","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"1562003","8.208","0.003","9.151","0.003","8.349","0.003","90","","115.709","0.007","90","","565","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lithium sodium boron phosphorous oxide","monolithium disodium pentaboron diphosphorous oxide","","- B5 Li Na2 O14 P2 -","- B5 Li Na2 O14 P2 -","- B10 Li2 Na4 O28 P4 -","2","0.5","","Hasegawa, Toru; Yamane, Hisanori","Synthesis and crystal structure analysis of Li2NaBP2O8 and LiNa2B5P2O14","Journal of Solid State Chemistry","2015","225","","65","71","10.1016/j.jssc.2014.11.024","","","0.71075","MoKα","","0.0548","0.0424","","","0.0896","0.0985","","","","","","1.059","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"1562004","12.917","0.002","12.917","0.002","5.0944","0.0007","90","","90","","120","","736.12","0.19","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Co7 H4 O19 V4 -","- Co7 O19 V3.996 -","- Co14 O38 V7.992 -","2","0.166667","","Zhang, Su-Yun; Guo, Wen-Bin; Yang, Ming; Tang, Ying-Ying; Wang, Nan-Nan; Huang, Rong-Rong; Cui, Mei-Yan; He, Zhang-Zhen","Synthesis, crystal structure and magnetic property of a new cobalt(II) vanadate","Journal of Solid State Chemistry","2015","225","","78","82","10.1016/j.jssc.2014.12.004","","","0.71073","MoKα","","0.0492","0.0466","","","0.1136","0.1155","","","","","","1.164","","","","has coordinates","264407","2021-04-22","09:51:37",""
"1562011","10.46087","0.00007","10.46087","0.00007","10.46087","0.00007","90","","90","","90","","1144.73","0.013","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi1.765 Ni0.805 O7 Sb1.33 -","- Bi1.7652 Ni0.8044 O7 Sb1.33 -","- Bi14.1216 Ni6.4352 O56 Sb10.64 -","8","0.0416667","","Egorysheva, A. V.; Ellert, O. G.; Zubavichus, Y. V.; Gajtko, O. M.; Efimov, N. N.; Svetogorov, R. D.; Murzin, V. Yu.","New complex bismuth oxides in the Bi2O3–NiO–Sb2O5 system and their properties","Journal of Solid State Chemistry","2015","225","","97","104","10.1016/j.jssc.2014.12.001","powder diffraction","x-ray","0.68886","","","0.0315","0.0141","","0.0407","0.0311","","","","0.05","","","","","","","has coordinates","275234","2022-05-08","23:43:24",""
"1562012","9.54721","0.00002","9.54721","0.00002","9.54721","0.00002","90","","90","","90","","870.221","0.003","293","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi12 Ni2.666 O44 Sb9.334 -","- Bi11.9992 Ni2.6664 O44 Sb9.3336 -","- Bi11.9992 Ni2.6664 O44 Sb9.3336 -","1","0.0416667","","Egorysheva, A. V.; Ellert, O. G.; Zubavichus, Y. V.; Gajtko, O. M.; Efimov, N. N.; Svetogorov, R. D.; Murzin, V. Yu.","New complex bismuth oxides in the Bi2O3–NiO–Sb2O5 system and their properties","Journal of Solid State Chemistry","2015","225","","97","104","10.1016/j.jssc.2014.12.001","powder diffraction","x-ray","0.68886","","","0.0315","0.0249","","0.0266","0.0236","","","","0.05","","","","","","","has coordinates","275234","2022-05-08","23:43:24",""
"1562013","6.7473","0.0013","9.4352","0.0019","11.035","0.002","90","","90","","90","","702.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag3 B5 O9 -","- Ag3 B5 O9 -","- Ag12 B20 O36 -","4","1","","Sohr, Gerhard; Falkowski, Viktoria; Huppertz, Hubert","The new silver borate Ag3B5O9","Journal of Solid State Chemistry","2015","225","","114","119","10.1016/j.jssc.2014.12.002","","","0.71073","MoKα","","0.0496","0.0367","","","0.0557","0.0587","","","","","","1.052","","","","has coordinates","264449","2021-04-23","07:46:37",""
"1562014","23.1122","0.0017","13.4105","0.0011","12.7412","0.001","90","","94.662","0.001","90","","3936","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Co N5 O4 -","- C19 H22 Co N5 O4 -","- C152 H176 Co8 N40 O32 -","8","1","","Lun, Huijie; Yang, Jinghe; Jin, Linyu; Cui, Sasa; Bai, Yanlong; Zhang, Xudong; Li, Yamin","Syntheses, structures and properties of two new coordination polymers based on d-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine","Journal of Solid State Chemistry","2015","225","","135","140","10.1016/j.jssc.2014.12.011","","","0.71073","MoKα","","0.0852","0.0517","","","0.1122","0.1245","","","","","","1.039","","","","has coordinates","264450","2021-04-23","07:56:59",""
"1562015","23.3968","0.0011","13.144","0.0006","12.9666","0.0007","90","","96.877","0.001","90","","3958.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23.25 N5 Ni O4.13 -","- C19 H22 N5 Ni O4.125 -","- C152 H176 N40 Ni8 O33 -","8","1","","Lun, Huijie; Yang, Jinghe; Jin, Linyu; Cui, Sasa; Bai, Yanlong; Zhang, Xudong; Li, Yamin","Syntheses, structures and properties of two new coordination polymers based on d-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine","Journal of Solid State Chemistry","2015","225","","135","140","10.1016/j.jssc.2014.12.011","","","0.71073","MoKα","","0.0699","0.0524","","","0.1111","0.117","","","","","","1.182","","","","has coordinates","264450","2021-04-23","07:57:00",""
"1562016","5.09611","0.00017","5.09611","0.00017","41.264","0.0017","90","","90","","120","","928.07","0.06","295","2","295","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Ca2 Li2 O7 Si2 -","- Ca2 Li2 O7 Si2 -","- Ca12 Li12 O42 Si12 -","6","0.5","","Kahlenberg, Volker; Brunello, Emanuele; Hejny, Clivia; Krüger, Hannes; Schmidmair, Daniela; Tribus, Martina; Többens, Daniel M.","Li2Ca2Si2O7: Structural, spectroscopic and computational studies on a sorosilicate","Journal of Solid State Chemistry","2015","225","","155","167","10.1016/j.jssc.2014.12.009","","x-ray","0.71073","MoKα","","0.0283","0.026","","","0.069","0.0697","","","","","","1.38","","","","has coordinates","264451","2021-04-23","08:01:48",""
"1562017","10.007","0.002","11.666","0.002","6.0011","0.0012","90","","90","","90","","700.6","0.2","293","2","293","2","","","","","","","","3","I b a m","-I 2 2c","72","Eu2Pt3Si5","","","- Eu2 Pt3 Si5 -","- Eu2 Pt3 Si5 -","- Eu8 Pt12 Si20 -","4","0.25","","Sarkar, Sumanta; Subbarao, Udumula; Joseph, Boby; Peter, Sebastian C.","Mixed valence and metamagnetism in a metal flux grown compound Eu2Pt3Si5","Journal of Solid State Chemistry","2015","225","","181","186","10.1016/j.jssc.2014.12.023","","","0.71073","MoKα","","0.027","0.0249","","","0.0547","0.084","","","","","","1.475","","","","has coordinates","264452","2021-04-23","08:06:52",""
"1562018","7.5193","0.0005","8.9432","0.0009","13.6434","0.0013","98.17","0.008","96.39","0.007","97.416","0.007","892.68","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetracyanidoplatinate(II) di-copper(II)-tetrakis(1,2-diaminopropane- κ^2^<i>N,N'</i>-bis(μ~2~-cyanido)-dicyanido-platinum(II), dihydrate","","- C10 H22 Cu N8 O Pt -","- C10 H22 Cu N8 O Pt -","- C20 H44 Cu2 N16 O2 Pt2 -","2","1","","Vavra, Martin; Potočňák, Ivan; Dušek, Michal; Čižmár, Erik; Ozerov, Mykhaylo; Zvyagin, Sergei A.","Low-dimensional compounds containing cyanido groups. XXVIII. Crystal structure, spectroscopic and magnetic properties of two copper(II) tetracyanidoplatinate complexes with 1,2-diaminopropane","Journal of Solid State Chemistry","2015","225","","202","208","10.1016/j.jssc.2014.12.019","","","0.71073","MoKα","","0.04","0.0193","","","0.0382","0.0431","","","","","","0.956","","","","has coordinates","264453","2021-04-23","08:18:36",""
"1562019","11.2588","0.0002","9.08","0.0002","13.0313","0.0003","90","","103.631","0.002","90","","1294.67","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(copper(II)-1,2-diaminopropane-κ^2^<i>N,N'</i>- tris(μ~2~-cyanido)-cyanido-platinum(II), monohydrate)","","- C7 H12 Cu N6 O Pt -","- C7 H12 Cu N6 O Pt -","- C28 H48 Cu4 N24 O4 Pt4 -","4","1","","Vavra, Martin; Potočňák, Ivan; Dušek, Michal; Čižmár, Erik; Ozerov, Mykhaylo; Zvyagin, Sergei A.","Low-dimensional compounds containing cyanido groups. XXVIII. Crystal structure, spectroscopic and magnetic properties of two copper(II) tetracyanidoplatinate complexes with 1,2-diaminopropane","Journal of Solid State Chemistry","2015","225","","202","208","10.1016/j.jssc.2014.12.019","","","0.71073","MoKα","","0.04","0.0377","","","0.0963","0.0971","","","","","","1.459","","","","has coordinates,has disorder","264453","2021-04-23","08:18:37",""
"1562020","9.8319","0.0014","7.4275","0.0011","14.158","0.002","90","","102.97","0.002","90","","1007.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Eu N2 O8 -","- C6 H7 Eu N2 O8 -","- C24 H28 Eu4 N8 O32 -","4","1","","Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi","Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide","Journal of Solid State Chemistry","2015","225","","216","221","10.1016/j.jssc.2014.12.026","","","0.71073","MoKα","","0.0226","0.0212","","","0.0567","0.0577","","","","","","1.062","","","","has coordinates","264454","2021-04-23","08:38:30",""
"1562021","9.7504","0.0009","7.2804","0.0007","14.0849","0.0013","90","","103.079","0.001","90","","973.91","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 O8 Tb -","- C6 H7 N2 O8 Tb -","- C24 H28 N8 O32 Tb4 -","4","1","","Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi","Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide","Journal of Solid State Chemistry","2015","225","","216","221","10.1016/j.jssc.2014.12.026","","","0.71073","MoKα","","0.0216","0.0193","","","0.0492","0.0507","","","","","","1.071","","","","has coordinates","264454","2021-04-23","08:38:31",""
"1562022","9.742","0.002","7.2774","0.0016","14.09","0.003","90","","103.074","0.002","90","","973","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Er N2 O8 -","- C6 H7 Er N2 O8 -","- C24 H28 Er4 N8 O32 -","4","1","","Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi","Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide","Journal of Solid State Chemistry","2015","225","","216","221","10.1016/j.jssc.2014.12.026","","","0.71073","MoKα","","0.0176","0.0171","","","0.0512","0.0517","","","","","","1.062","","","","has coordinates","264454","2021-04-23","08:38:31",""
"1562023","6.8938","0.0013","22.7","0.004","7.4502","0.0014","90","","103.327","0.002","90","","1134.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 Nd O10 -","- C6 H10 N2 Nd O10 -","- C24 H40 N8 Nd4 O40 -","4","1","","Jin, Jun-Cheng; Tong, Wen-Quan; Fu, Ai-Yun; Xie, Cheng-Gen; Chang, Wen-Gui; Wu, Ju; Xu, Guang-Nian; Zhang, Ya-Nan; Li, Jun; Li, Yong; Yang, Peng-Qi","Four unexpected lanthanide coordination polymers involving in situ reaction of solvent N, N-Dimethylformamide","Journal of Solid State Chemistry","2015","225","","216","221","10.1016/j.jssc.2014.12.026","","","0.71073","MoKα","","0.0313","0.0273","","","0.0949","0.1002","","","","","","1.079","","","","has coordinates","264454","2021-04-23","08:38:31",""
"1562030","10.3201","0.0013","10.8466","0.0014","12.7508","0.0017","94.475","0.002","96.731","0.002","106.684","0.002","1348.4","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cu3 N12 O19 -","- C60 H48 Cu3 N12 O19 -","- C60 H48 Cu3 N12 O19 -","1","0.5","","Mizzi, Jessica E.; Staples, Richard J.; LaDuca, Robert L.","Temperature-dependent polymorphism and magnetic properties of three-dimensional copper pyromellitate coordination polymers containing 4,4′-dipyridylamine","Journal of Solid State Chemistry","2015","225","","222","230","10.1016/j.jssc.2014.12.021","","","0.71073","MoKα","","0.0723","0.0441","","","0.0942","0.1071","","","","","","1.028","","","","has coordinates","264461","2021-04-23","08:46:44",""
"1562031","7.9985","0.0011","9.7296","0.0014","10.8506","0.0015","84.315","0.002","78.168","0.002","75.064","0.002","797.6","0.19","173","2","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 Cu3 N3 O21.5 -","- C30 H26 Cu3 N3 O21.5 -","- C30 H26 Cu3 N3 O21.5 -","1","1","","Mizzi, Jessica E.; Staples, Richard J.; LaDuca, Robert L.","Temperature-dependent polymorphism and magnetic properties of three-dimensional copper pyromellitate coordination polymers containing 4,4′-dipyridylamine","Journal of Solid State Chemistry","2015","225","","222","230","10.1016/j.jssc.2014.12.021","","","0.71073","MoKα","","0.0932","0.0675","","","0.16","0.1737","","","","","","0.97","","","","has coordinates,has disorder","264461","2021-04-23","08:46:55",""
"1562032","9.6604","0.0004","7.7187","0.0003","16.7897","0.0006","90","","90.852","0.002","90","","1251.8","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Mn N8 -","- C10 H8 Mn N8 -","- C40 H32 Mn4 N32 -","4","1","","Mudsainiyan, R.K.; Jassal, Amanpreet Kaur; Chawla, S.K.","Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis","Journal of Solid State Chemistry","2015","225","","249","255","10.1016/j.jssc.2014.12.028","","","0.71073","MoKα","","0.0593","0.0344","","","0.0795","0.0904","","","","","","1.005","","","","has coordinates","264462","2021-04-23","08:54:43",""
"1562033","10.1059","0.0001","5.7094","0.0001","6.977","0.0001","90","","93.107","0.001","90","","401.972","0.01","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","barium iron oxide fluoride","- Ba3 F Fe3 O7 -","- Ba3 F Fe3 O7 -","- Ba6 F2 Fe6 O14 -","2","0.5","","Clemens, Oliver","Structural characterization of a new vacancy ordered perovskite modification found for Ba3Fe3O7F (BaFeO2.333F0.333): Towards understanding of vacancy ordering for different perovskite-type ferrites","Journal of Solid State Chemistry","2015","225","","261","270","10.1016/j.jssc.2014.12.027","powder diffraction","","1.54176","CuKα","","","","","","","","","0.055","","","","","","","","has coordinates","264463","2021-04-23","09:07:17",""
"1562034","9.51521","0.00002","9.51521","0.00002","9.51521","0.00002","90","","90","","90","","861.5","0.003","293","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi3 Fe O11 Sb2 -","- Bi2.9998 Fe0.9999 O11 Sb2.0001 -","- Bi11.9992 Fe3.9996 O44 Sb8.0004 -","4","0.166667","","Egorysheva, A.V.; Ellert, O.G.; Gajtko, O.M.; Efimov, N.N.; Svetogorov, R.D.; Zubavichus, Y.V.; Grigorieva, A.V.","The Bi2O3‒Fe2O3‒Sb2O5 system phase diagram refinement, Bi3FeSb2O11 structure peculiarities and magnetic properties","Journal of Solid State Chemistry","2015","225","","278","284","10.1016/j.jssc.2014.12.032","powder diffraction","x-ray","0.68886","","","0.031","0.0269","","0.0349","0.0321","","","","0.13","","","","","","","has coordinates","264464","2021-04-23","09:11:27",""
"1562035","11.333","0.0002","16.698","0.0003","8.603","0.0002","90","","98.003","0.002","90","","1612.16","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N2 O6 P Zn -","- C15 H15 N2 O6 P Zn -","- C60 H60 N8 O24 P4 Zn4 -","4","1","","Fernández-Zapico, Eva; Montejo-Bernardo, Jose; Fernández-González, Alfonso; García, José R.; García-Granda, Santiago","Hydrothermal synthesis of zinc(II)-phosphonate coordination polymers with different dimensionality (0D, 2D, 3D) and dimensionality change in the solid phase (0D→3D) induced by temperature","Journal of Solid State Chemistry","2015","225","","285","296","10.1016/j.jssc.2015.01.001","","","1.5418","CuKα","","0.0476","0.0391","","","0.1069","0.1128","","","","","","1.075","","","","has coordinates","264465","2021-04-23","09:16:50",""
"1562036","8.258","0.0005","10.348","0.0006","16.572","0.0009","73.081","0.005","77.36","0.005","71.278","0.005","1270.81","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20.8 N2 O13.4 P2 Zn3 -","- C18 H20.8 N2 O13.4 P2 Zn3 -","- C36 H41.6 N4 O26.8 P4 Zn6 -","2","1","","Fernández-Zapico, Eva; Montejo-Bernardo, Jose; Fernández-González, Alfonso; García, José R.; García-Granda, Santiago","Hydrothermal synthesis of zinc(II)-phosphonate coordination polymers with different dimensionality (0D, 2D, 3D) and dimensionality change in the solid phase (0D→3D) induced by temperature","Journal of Solid State Chemistry","2015","225","","285","296","10.1016/j.jssc.2015.01.001","","","0.71073","MoKα","","0.1072","0.0633","","","0.0803","0.0923","","","","","","1.025","","","","has coordinates","264465","2021-04-23","09:16:51",""
"1562037","28.471","0.005","12.118","0.005","17.366","0.005","90","","93.526","0.005","90","","5980","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H50.64 N8 O20.32 P4 Zn5 -","- C60 H50.64 N8 O20.32 P4 Zn5 -","- C240 H202.56 N32 O81.28 P16 Zn20 -","4","0.5","","Fernández-Zapico, Eva; Montejo-Bernardo, Jose; Fernández-González, Alfonso; García, José R.; García-Granda, Santiago","Hydrothermal synthesis of zinc(II)-phosphonate coordination polymers with different dimensionality (0D, 2D, 3D) and dimensionality change in the solid phase (0D→3D) induced by temperature","Journal of Solid State Chemistry","2015","225","","285","296","10.1016/j.jssc.2015.01.001","","","1.54184","CuKα","","0.0413","0.0376","","","0.1039","0.1074","","","","","","1.055","","","","has coordinates","264465","2021-04-23","09:16:51",""
"1562038","10.3809","0.0004","10.0687","0.0005","7.1115","0.0004","90","","98.281","0.004","90","","735.56","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 Fe N2 O6 -","- C12 H10 Br2 Fe N2 O6 -","- C24 H20 Br4 Fe2 N4 O12 -","2","0.5","","Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai","Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers","Journal of Solid State Chemistry","2015","225","","297","304","10.1016/j.jssc.2015.01.002","","","0.71073","MoKα","","0.0404","0.0315","","","0.0678","0.0721","","","","","","1.075","","","","has coordinates","264466","2021-04-23","09:21:24",""
"1562039","21.7368","0.0016","11.7951","0.0004","12.3028","0.0004","90","","104.538","0.005","90","","3053.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Br4 N4 Ni2 O8 -","- C24 H12 Br4 N4 Ni2 O8 -","- C96 H48 Br16 N16 Ni8 O32 -","4","1","","Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai","Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers","Journal of Solid State Chemistry","2015","225","","297","304","10.1016/j.jssc.2015.01.002","","","0.71073","MoKα","","0.062","0.0449","","","0.0911","0.0981","","","","","","1.022","","","","has coordinates","264466","2021-04-23","09:21:25",""
"1562040","9.5038","0.0006","13.1974","0.0008","13.3924","0.0008","63.396","0.006","82.883","0.005","72.256","0.005","1430.3","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C22 H27 Br2 N4 Ni O10.50","","","- C22 H27 Br2 N4 Ni O10.5 -","- C22 H18 Br2 N4 Ni O10.5 -","- C44 H36 Br4 N8 Ni2 O21 -","2","1","","Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai","Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers","Journal of Solid State Chemistry","2015","225","","297","304","10.1016/j.jssc.2015.01.002","","","0.71073","MoKα","","0.0626","0.0443","","","0.1097","0.1198","","","","","","1.053","","","","has coordinates","264466","2021-04-23","09:21:25",""
"1562041","11.3778","0.0005","12.2675","0.0007","15.2299","0.0007","86.196","0.004","72.141","0.004","77.692","0.005","1976.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Br3 Co2 N7 O8 -","- C38 H26 Br3 Co2 N7 O8 -","- C76 H52 Br6 Co4 N14 O16 -","2","1","","Li, Wenjie; Li, Guoting; Lv, Lulu; Zhao, Hong; Wu, Benlai","Syntheses, crystal structures, and properties of new metal‒5-bromonicotinate coordination polymers","Journal of Solid State Chemistry","2015","225","","297","304","10.1016/j.jssc.2015.01.002","","","1.54184","CuKα","","0.0849","0.0751","","","0.1856","0.1927","","","","","","1.094","","","","has coordinates","264466","2021-04-23","09:21:25",""
"1562042","8.319","0.004","18.261","0.008","30.925","0.015","90","","93.84","0.01","90","","4687","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Co N10 O14 -","- C40 H26 Co N10 O14 -","- C160 H104 Co4 N40 O56 -","4","1","","Yin, Fei; Chen, Jing; Liang, Yongfeng; Zou, Yang; Yinzhi, Jiang; Xie, Jingli","Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene","Journal of Solid State Chemistry","2015","225","","310","314","10.1016/j.jssc.2014.12.022","","","0.71073","MoKα","","0.0863","0.0504","","","0.1031","0.1133","","","","","","0.935","","","","has coordinates","264467","2021-04-23","09:31:26",""
"1562043","8.397","0.002","17.812","0.005","31.257","0.007","90","","94.24","0.02","90","","4662","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N10 O14 Zn -","- C40 H26 N10 O14 Zn -","- C160 H104 N40 O56 Zn4 -","4","1","","Yin, Fei; Chen, Jing; Liang, Yongfeng; Zou, Yang; Yinzhi, Jiang; Xie, Jingli","Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene","Journal of Solid State Chemistry","2015","225","","310","314","10.1016/j.jssc.2014.12.022","","","0.71073","MoKα","","0.2009","0.1317","","","0.356","0.3936","","","","","","1.083","","","","has coordinates","264467","2021-04-23","09:31:26",""
"1562044","5.154","0.0004","5.154","0.0004","33.901","0.003","90","","90","","120","","779.89","0.11","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba Hf O6 -","- B2 Ba Hf O6 -","- B12 Ba6 Hf6 O36 -","6","0.333333","","Mączka, Mirosław; Szymborska-Małek, Katarzyna; Gągor, Anna; Majchrowski, Andrzej","Growth and characterization of acentric BaHf(BO3)2 and BaZr(BO3)2","Journal of Solid State Chemistry","2015","225","","330","334","10.1016/j.jssc.2015.01.008","","","0.71073","MoKα","","0.0214","0.0101","","","0.0169","0.0178","","","","","","0.869","","","","has coordinates","264468","2021-04-23","09:36:15",""
"1562045","9.03867","0.00008","10.60721","0.00008","8.30654","0.00007","90","","90","","90","","796.39","0.011","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Li Mg3 (P O4) P2 O7","","","- Li Mg3 O11 P3 -","- Li Mg3 O11 P3 -","- Li4 Mg12 O44 P12 -","4","0.5","","Kim, Sung-Chul; Lee, Mi-Sun; Kang, Jinyeong; Kim, Young-Il; Kim, Seung-Joo","Crystal structure and ion conductivity of a new mixed-anion phosphate LiMg3(PO4)P2O7","Journal of Solid State Chemistry","2015","225","","335","339","10.1016/j.jssc.2015.01.011","powder diffraction","","0.413077","Synchrotron","","","","","","","","","4.5534","1.301","","","","","","","has coordinates","264469","2021-04-23","09:40:36",""
"1562046","12.3102","0.0017","17.633","0.002","15.978","0.002","90","","97.623","0.003","90","","3437.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N9 Nd O7 -","- C40 H22 N9 Nd O7 -","- C160 H88 N36 Nd4 O28 -","4","1","","Che, Guang-Bo; Liu, Shu-Yu; Zhang, Qing; Liu, Chun-Bo; Zhang, Xing-Jing","Syntheses, structures and photoluminescence of lanthanide-organic frameworks assembled from multifunctional N,O-donor ligand","Journal of Solid State Chemistry","2015","225","","378","382","10.1016/j.jssc.2015.01.015","","","0.71073","MoKα","","0.1081","0.0524","","","0.0894","0.1125","","","","","","0.975","","","","has coordinates","264470","2021-04-23","09:49:18",""
"1562047","12.4034","0.001","17.6913","0.0015","15.9823","0.0013","90","","97.359","0.002","90","","3478.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 La N9 O7 -","- C40 H22 La N9 O7 -","- C160 H88 La4 N36 O28 -","4","1","","Che, Guang-Bo; Liu, Shu-Yu; Zhang, Qing; Liu, Chun-Bo; Zhang, Xing-Jing","Syntheses, structures and photoluminescence of lanthanide-organic frameworks assembled from multifunctional N,O-donor ligand","Journal of Solid State Chemistry","2015","225","","378","382","10.1016/j.jssc.2015.01.015","","","0.71073","MoKα","","0.0824","0.0465","","","0.0957","0.1112","","","","","","0.989","","","","has coordinates","264470","2021-04-23","09:49:28",""
"1562048","12.308","0.005","17.729","0.005","16.151","0.005","90","0.005","98.042","0.005","90","0.005","3490","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N9 O7 Sm -","- C40 H22 N9 O7 Sm -","- C160 H88 N36 O28 Sm4 -","4","1","","Che, Guang-Bo; Liu, Shu-Yu; Zhang, Qing; Liu, Chun-Bo; Zhang, Xing-Jing","Syntheses, structures and photoluminescence of lanthanide-organic frameworks assembled from multifunctional N,O-donor ligand","Journal of Solid State Chemistry","2015","225","","378","382","10.1016/j.jssc.2015.01.015","","","0.71073","MoKα","","0.1258","0.0532","","","0.104","0.1308","","","","","","0.979","","","","has coordinates","264470","2021-04-23","09:49:30",""
"1562049","12.286","0.003","17.634","0.004","16.052","0.003","90","","97.85","0.03","90","","3445.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 Eu N9 O7 -","- C40 H22 Eu N9 O7 -","- C160 H88 Eu4 N36 O28 -","4","1","","Che, Guang-Bo; Liu, Shu-Yu; Zhang, Qing; Liu, Chun-Bo; Zhang, Xing-Jing","Syntheses, structures and photoluminescence of lanthanide-organic frameworks assembled from multifunctional N,O-donor ligand","Journal of Solid State Chemistry","2015","225","","378","382","10.1016/j.jssc.2015.01.015","","","0.71073","MoKα","","0.1226","0.0984","","","0.1687","0.1817","","","","","","1.23","","","","has coordinates","264470","2021-04-23","09:49:33",""
"1562059","14.6335","0.0017","7.2189","0.0008","19.945","0.002","90","","104.207","0.001","90","","2042.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F6 O7 Pb -","- C19 H14 F6 O7 Pb -","- C76 H56 F24 O28 Pb4 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0266","0.0196","","","0.0471","0.0505","","","","","","1.06","","","","has coordinates","264521","2021-04-26","06:50:32",""
"1562060","7.9567","0.0009","31.578","0.004","11.5957","0.0014","90","","95.646","0.001","90","","2899.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 F6 N2 O6 Pb -","- C31 H20 F6 N2 O6 Pb -","- C124 H80 F24 N8 O24 Pb4 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0528","0.0415","","","0.106","0.1116","","","","","","1.078","","","","has coordinates","264521","2021-04-26","06:50:33",""
"1562061","7.7234","0.0006","15.8745","0.0013","17.5868","0.0015","93.387","0.001","94.288","0.001","100.706","0.001","2106.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H28 F12 N O12 Pb2 -","- C43 H28 F12 N O12 Pb2 -","- C86 H56 F24 N2 O24 Pb4 -","2","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0553","0.034","","","0.0752","0.0837","","","","","","1.008","","","","has coordinates","264521","2021-04-26","06:50:33",""
"1562062","7.4806","0.0004","33.068","0.0019","11.682","0.0007","90","","94.107","0.001","90","","2882.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cd F6 N2 O6 -","- C31 H20 Cd F6 N2 O6 -","- C124 H80 Cd4 F24 N8 O24 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0403","0.0306","","","0.0536","0.0568","","","","","","1.095","","","","has coordinates","264521","2021-04-26","06:50:33",""
"1562063","15.621","0.0009","7.5954","0.0004","23.4798","0.0014","90","","102.53","0.001","90","","2719.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cd F6 N2 O7 -","- C29 H22 Cd F6 N2 O7 -","- C116 H88 Cd4 F24 N8 O28 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0552","0.0327","","","0.0703","0.079","","","","","","1.018","","","","has coordinates","264521","2021-04-26","06:50:33",""
"1562064","15.184","0.002","7.7697","0.0011","23.302","0.003","90","","101.929","0.002","90","","2689.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F6 Mn N2 O7 -","- C29 H22 F6 Mn N2 O7 -","- C116 H88 F24 Mn4 N8 O28 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Liu, Hong; Robbins, Julianne; Zhang, Z. John; Yin, Hong-Shan; Wen, Hui-Liang; Wang, Yu-Hua","Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties","Journal of Solid State Chemistry","2015","225","","391","401","10.1016/j.jssc.2014.12.013","","","0.71073","MoKα","","0.0462","0.0387","","","0.1073","0.1132","","","","","","1.009","","","","has coordinates","264521","2021-04-26","06:50:33",""
"1562065","10.4299","0.0005","13.3456","0.0007","13.9782","0.0007","90","","103.792","0.001","90","","1889.57","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Eu2 O17 -","- C14 H12 Eu2 O17 -","- C56 H48 Eu8 O68 -","4","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.0394","0.025","","","0.0562","0.0634","","","","","","0.943","","","","has coordinates","264522","2021-04-26","06:58:48",""
"1562066","8.2509","0.0009","8.3435","0.0009","8.7321","0.0016","97.78","0.001","110.783","0.001","116.452","0.001","471.25","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 O18 Pr2 -","- C14 H4 O18 Pr2 -","- C14 H4 O18 Pr2 -","1","0.5","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","","","0.0181","0.0173","","","0.0475","0.0496","","","","","","1.565","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562067","10.5072","0.0005","13.2728","0.0006","14.6621","0.0007","107.101","0.001","93.723","0.001","102.07","","1893.6","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H0.25 O20 Tb -","- C13 O19 Tb2 -","- C52 O76 Tb8 -","4","2","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.1527","0.0966","","","0.196","0.2521","","","","","","2.165","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562068","15.122","0.002","9.3656","0.0014","20.29","0.003","90","","90","","90","","2873.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Eu O11 -","- C12 H7 Eu O11 -","- C96 H56 Eu8 O88 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.0386","0.0237","","","0.0608","0.0669","","","","","","0.715","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562069","15.0789","0.0015","9.2997","0.0009","20.287","0.002","90","","90","","90","","2844.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 O11 Tb -","- C12 H7 O11 Tb -","- C96 H56 O88 Tb8 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.053","0.0298","","","0.0577","0.0619","","","","","","1.028","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562070","15.1948","0.0007","3.6337","0.0002","9.1941","0.0004","90","","101.239","0.002","90","","497.9","0.04","90","2","90","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ge P -","- Ge P -","- Ge12 P12 -","12","1.5","","Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill","GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides","Journal of Solid State Chemistry","2015","224","","62","70","10.1016/j.jssc.2014.04.021","","","0.71073","MoKα","","0.0188","0.0167","","","0.0399","0.0409","","","","","","1.077","","","","has coordinates","264523","2021-04-26","07:10:42",""
"1562071","15.284","0.009","3.622","0.002","9.207","0.005","90","","101.787","0.013","90","","498.9","0.5","90","2","90","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ge0.93 P0.95 Sn0.12 -","- Ge0.932667 P0.945667 Sn0.121333 -","- Ge11.192 P11.348 Sn1.456 -","12","1.5","","Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill","GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides","Journal of Solid State Chemistry","2015","224","","62","70","10.1016/j.jssc.2014.04.021","","","0.71073","MoKα","","0.0821","0.0513","","","0.1179","0.1346","","","","","","1.087","","","","has coordinates","264523","2021-04-26","07:10:43",""
"1562072","15.7562","0.0004","15.3399","0.0007","18.3765","0.0008","90","","103.319","0.001","90","","4322.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H72 N8 O Ru -","- C37 H72 N8 O Ru -","- C148 H288 N32 O4 Ru4 -","4","1","","Peresypkina, Eugenia V.; Samsonenko, Denis G.; Vostrikova, Kira E.","Heterobimetallic coordination polymers involving 3 d metal complexes and heavier transition metals cyanometallates","Journal of Solid State Chemistry","2015","224","","107","114","10.1016/j.jssc.2014.08.033","","x-ray","0.71073","MoKα","","0.0716","0.0374","","","0.0811","0.0885","","","","","","1.014","","","","has coordinates","264524","2021-04-26","07:18:20",""
"1562073","19.2399","0.0009","31.119","0.0014","15.4479","0.0007","90","","120.389","0.001","90","","7978.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H37 Cd N8 O6 -","- C46 H33 Cd N8 O6 -","- C368 H264 Cd8 N64 O48 -","8","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.091","0.0663","","","0.1902","0.2072","","","","","","1.029","","","","has coordinates,has disorder","264525","2021-04-26","07:24:47",""
"1562074","10.822","0.0006","15.2723","0.0009","12.2901","0.0007","90","","104.224","0.001","90","","1969","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cd Cl N4 O2 -","- C23 H17 Cd Cl N4 O2 -","- C92 H68 Cd4 Cl4 N16 O8 -","4","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0469","0.0336","","","0.0607","0.0646","","","","","","1.056","","","","has coordinates","264525","2021-04-26","07:24:56",""
"1562075","32.0209","0.0011","11.405","0.002","12.5363","0.0014","90","","98.478","0.003","90","","4528.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H70 Cu6 N18 O15 -","- C92 H70 Cu6 N18 O15 -","- C184 H140 Cu12 N36 O30 -","2","0.25","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.056","0.043","","","0.0933","0.0961","","","","","","1.113","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562076","8.7238","0.0009","11.396","0.0012","23.211","0.003","90","","97.59","0.002","90","","2287.3","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C92 H86 Cu4 N16 O23 S2 -","- C92 H78.8 Cu4 N16 O23 S2 -","- C92 H78.8 Cu4 N16 O23 S2 -","1","0.25","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0624","0.0549","","","0.155","0.1598","","","","","","1.075","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562077","25.355","0.005","10.802","0.005","18.594","0.005","90","0.005","108.575","0.005","90","0.005","4827","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Cu2 N8 O11 -","- C54 H44 Cu2 N8 O11 -","- C216 H176 Cu8 N32 O44 -","4","0.5","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0503","0.037","","","0.1001","0.1074","","","","","","1.043","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562078","15.739","0.005","18.612","0.005","18.628","0.004","90","","121.439","0.018","90","","4656","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 Cu2 N8 O8 -","- C54 H40 Cu2 N8 O8 -","- C216 H160 Cu8 N32 O32 -","4","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.1457","0.0688","","","0.1838","0.2258","","","","","","1.039","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562079","11.9116","0.0006","16.5708","0.0008","21.2554","0.001","90","","90","","90","","4195.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N4 O2 Zn -","- C23 H17 Cl N4 O2 Zn -","- C184 H136 Cl8 N32 O16 Zn8 -","8","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0463","0.0335","","","0.0881","0.0948","","","","","","1.044","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562080","14.5968","0.0009","18.1364","0.0009","17.1584","0.001","90","","93.611","0.001","90","","4533.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N8 O12 S Zn2 -","- C46 H34 N8 O12.001 S Zn2 -","- C184 H136 N32 O48.004 S4 Zn8 -","4","0.5","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0868","0.0506","","","0.1327","0.1446","","","","","","1.029","","","","has coordinates,has disorder","264525","2021-04-26","07:24:59",""
"1562081","5.2933","0.0003","28.014","0.001","12.4125","0.0006","90","","95.283","0.004","90","","1832.79","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Hg I2 N2 O4 -","- C14 H12 Hg I2 N2 O4 -","- C56 H48 Hg4 I8 N8 O16 -","4","1","","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Llanos, Jaime; Bolte, Michael; López-Rodríguez, Matías","Mercury coordination polymers with flexible ethane-1,2-diyl-bis-(pyridyl-3-carboxylate): Synthesis, structures, thermal and luminescent properties","Journal of Solid State Chemistry","2015","223","","17","22","10.1016/j.jssc.2014.03.022","","","0.71073","MoKα","","0.0342","0.0335","","","0.0867","0.0871","","","","","","1.23","","","","has coordinates","264527","2021-04-26","07:47:56",""
"1562082","22.7861","0.0014","4.9181","0.0004","15.3032","0.001","90","","104.238","0.005","90","","1662.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Br2 Hg N2 O4 -","- C14 H12 Br2 Hg N2 O4 -","- C56 H48 Br8 Hg4 N8 O16 -","4","0.5","","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Llanos, Jaime; Bolte, Michael; López-Rodríguez, Matías","Mercury coordination polymers with flexible ethane-1,2-diyl-bis-(pyridyl-3-carboxylate): Synthesis, structures, thermal and luminescent properties","Journal of Solid State Chemistry","2015","223","","17","22","10.1016/j.jssc.2014.03.022","","","0.71073","MoKα","","0.0365","0.0354","","","0.0915","0.0925","","","","","","1.111","","","","has coordinates","265221","2021-05-14","10:01:31",""
"1562083","8.644","0.004","10.479","0.005","16.369","0.008","95.523","0.008","102.341","0.008","102.103","0.008","1400.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 Cd3 N12 O18 -","- C54 H54 Cd3 N12 O18 -","- C54 H54 Cd3 N12 O18 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Parmar, Bhavesh; Suresh, Eringathodi","Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II) nodes for selective detection of organic nitro compounds and iodine capture","Journal of Solid State Chemistry","2015","223","","23","31","10.1016/j.jssc.2014.05.012","","","0.71073","MoKα","","0.0925","0.0564","","","0.1123","0.1322","","","","","","0.988","","","","has coordinates","264528","2021-04-26","07:52:49",""
"1562084","23.22","0.002","18.0739","0.0019","15.262","0.0016","90","","120.638","0.002","90","","5511","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 N12 O18 Zn3 -","- C54 H50 N12 O18 Zn3 -","- C216 H200 N48 O72 Zn12 -","4","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Parmar, Bhavesh; Suresh, Eringathodi","Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II) nodes for selective detection of organic nitro compounds and iodine capture","Journal of Solid State Chemistry","2015","223","","23","31","10.1016/j.jssc.2014.05.012","","","0.71073","MoKα","","0.0546","0.0465","","","0.1036","0.1073","","","","","","1.1","","","","has coordinates","264528","2021-04-26","07:52:50",""
"1562085","13.989","0.003","9.6728","0.0017","16.707","0.003","90","","108.66","0.02","90","","2141.8","0.8","293","","293","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co3 N2 O16 -","- C30 H24 Co3 N2 O16 -","- C60 H48 Co6 N4 O32 -","2","0.5","","Bagherzadeh, Mojtaba; Ashouri, Fatemeh; Đaković, Marijana","Synthesis, characterizations and catalytic studies of a new two-dimensional metal−organic framework based on Co‒carboxylate secondary building units","Journal of Solid State Chemistry","2015","223","","32","37","10.1016/j.jssc.2014.05.011","","x-ray","0.71073","MoKα","","0.2609","0.2132","","","0.5007","0.5168","","","","","","1.803","","","","has coordinates","264529","2021-04-26","07:58:26",""
"1562086","9.977","0.005","23.146","0.012","11.944","0.006","90","","90.182","0.01","90","","2758","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cu N8 O6 -","- C28 H22 Cu N8 O6 -","- C112 H88 Cu4 N32 O24 -","4","1","","Liu, Yong-Liang; Wu, Ya-Pan; Li, Dong-Sheng; Dong, Wen-Wen; Zhou, Chun-Sheng","Two interpenetrating CuII/NiII-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","223","","38","43","10.1016/j.jssc.2014.05.022","","","0.71073","MoKα","","0.1212","0.0742","","","0.1408","0.1621","","","","","","1.078","","","","has coordinates","264530","2021-04-26","08:03:31",""
"1562087","21.156","0.011","8.726","0.005","15.847","0.009","90","","90","","90","","2925","3","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C28 H20 N8 Ni O5 -","- C28 H18 N8 Ni O5 -","- C112 H72 N32 Ni4 O20 -","4","0.5","","Liu, Yong-Liang; Wu, Ya-Pan; Li, Dong-Sheng; Dong, Wen-Wen; Zhou, Chun-Sheng","Two interpenetrating CuII/NiII-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2015","223","","38","43","10.1016/j.jssc.2014.05.022","","","0.71073","MoKα","","0.0588","0.0507","","","0.1359","0.1438","","","","","","1.094","","","","has coordinates","264530","2021-04-26","08:03:34",""
"1562088","18.2988","0.0006","8.929","0.0003","15.5317","0.0008","90","","90","","90","","2537.72","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H38 Cd N2 O7 -","- C24 H38 Cd N2 O7 -","- C96 H152 Cd4 N8 O28 -","4","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0323","0.0261","","","0.0605","0.0635","","","","","","1.038","","","","has coordinates","264531","2021-04-26","08:13:48",""
"1562089","14.3563","0.0003","14.3563","0.0003","8.2827","0.0004","90","","90","","120","","1478.39","0.08","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Cd N O5 -","- C7 H9 Cd N O5 -","- C42 H54 Cd6 N6 O30 -","6","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0448","0.0299","","","0.0742","0.1052","","","","","","1.088","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562090","11.5178","0.0005","12.4126","0.0005","13.1708","0.0005","94.261","0.003","92.978","0.003","93.134","0.003","1871.99","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd3 N3 O19 -","- C27 H24 Cd3 N3 O19 -","- C54 H48 Cd6 N6 O38 -","2","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0485","0.0361","","","0.0797","0.0881","","","","","","1.106","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562091","16.8094","0.0007","14.4553","0.0007","10.4397","0.0003","90","","90","","90","","2536.69","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H17 Cd N4 O6 -","- C26 H17 Cd N4 O6 -","- C104 H68 Cd4 N16 O24 -","4","0.5","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0578","0.0436","","","0.1333","0.1482","","","","","","1.206","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562092","8.7154","0.0002","13.1045","0.0005","14.501","0.0003","90","","90","","90","","1656.17","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 Cd2 N2 O11 -","- C14 H8 Cd2 N2 O11 -","- C56 H32 Cd8 N8 O44 -","4","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0241","0.0234","","","0.0637","0.0641","","","","","","1.034","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562093","16.0445","0.0009","11.8985","0.0006","18.3896","0.001","90","","104.452","0.005","90","","3399.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Mn2 N5 O14 -","- C32 H32 Mn2 N5 O14 -","- C128 H128 Mn8 N20 O56 -","4","0.5","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0606","0.052","","","0.1619","0.1671","","","","","","1.178","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562094","15.4035","0.0009","16.2311","0.001","26.268","0.003","90","","95.187","0.007","90","","6540.5","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H6 Mn3 N4 O15 -","- C32 H6 Mn3 N4 O15 -","- C256 H48 Mn24 N32 O120 -","8","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.1022","0.0629","","","0.1588","0.1906","","","","","","1.092","","","","has coordinates","264531","2021-04-26","08:13:50",""
"1562095","11.3718","0.0002","22.5945","0.0003","16.5955","0.0003","90","","91.902","0.002","90","","4261.7","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Mg3 N3 O17 -","- C40 H39 Mg3 N3 O17 -","- C160 H156 Mg12 N12 O68 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Feng, Mei-Ling; Du, Cheng-Feng; Huang, Xiao-Ying","A magnesium-carboxylate framework showing luminescent sensing for CS2 and nitroaromatic compounds","Journal of Solid State Chemistry","2015","223","","59","64","10.1016/j.jssc.2014.06.018","","","1.54178","CuKα","","0.0616","0.0541","","","0.1459","0.1528","","","","","","1.007","","","","has coordinates,has disorder","264532","2021-04-26","08:18:01",""
"1562096","11.2384","0.0006","14.8696","0.0013","16.6683","0.0008","90","","100.852","0.005","90","","2735.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Cu3 N12 O9.5 -","- C10 H6 Cu3 N12 O8 -","- C40 H24 Cu12 N48 O32 -","4","0.5","","Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming","Selective adsorption in two porous triazolate‒oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid","Journal of Solid State Chemistry","2015","223","","73","78","10.1016/j.jssc.2014.06.016","","","0.71073","MoKα","","0.0542","0.0365","","","0.0989","0.1057","","","","","","1.024","","","","has coordinates","264533","2021-04-26","08:23:23",""
"1562097","11.8929","0.0008","12.7046","0.0011","14.8173","0.0011","79.434","0.007","80.124","0.006","68.569","0.007","2035.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Co5 N17 O17 -","- C16 H7 Co5 N16 O16 -","- C32 H14 Co10 N32 O32 -","2","1","","Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming","Selective adsorption in two porous triazolate‒oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid","Journal of Solid State Chemistry","2015","223","","73","78","10.1016/j.jssc.2014.06.016","","","0.71073","MoKα","","0.1308","0.0921","","","0.2585","0.2766","","","","","","1.073","","","","has coordinates","264533","2021-04-26","08:23:24",""
"1562098","10.4638","0.0008","10.9965","0.0009","11.9148","0.001","79.825","0.001","83.867","0.001","79.339","0.001","1322.22","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 Ag2 F6 N6 O7 Si -","- C17 H26 Ag2 F6 N6 O7 Si -","- C34 H52 Ag4 F12 N12 O14 Si2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Guo, Wei; Du, Miao","Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole","Journal of Solid State Chemistry","2015","223","","95","103","10.1016/j.jssc.2014.06.038","","","0.71073","MoKα","","0.0512","0.0379","","","0.095","0.1064","","","","","","1.049","","","","has coordinates","264535","2021-04-26","08:42:26",""
"1562099","9.711","0.004","10.574","0.004","12.856","0.005","104.398","0.006","94.772","0.007","91.577","0.006","1272.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Ag2 F6 N6 O6 -","- C21 H16 Ag2 F6 N6 O6 -","- C42 H32 Ag4 F12 N12 O12 -","2","1","","Li, Cheng-Peng; Chen, Jing; Guo, Wei; Du, Miao","Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole","Journal of Solid State Chemistry","2015","223","","95","103","10.1016/j.jssc.2014.06.038","","","0.71073","MoKα","","0.0488","0.0418","","","0.0921","0.0964","","","","","","1.059","","","","has coordinates,has disorder","264535","2021-04-26","08:42:40",""
"1562100","10.436","0.004","13.084","0.006","13.348","0.005","103.658","0.007","92.736","0.006","91.166","0.007","1768.1","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Ag2 N14 O7 -","- C34 H26 Ag2 N14 O7 -","- C68 H52 Ag4 N28 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Guo, Wei; Du, Miao","Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole","Journal of Solid State Chemistry","2015","223","","95","103","10.1016/j.jssc.2014.06.038","","","0.71073","MoKα","","0.0477","0.0339","","","0.0736","0.081","","","","","","1.024","","","","has coordinates","264535","2021-04-26","08:43:11",""
"1562101","10.3414","0.0017","10.6765","0.0018","12.985","0.002","97.749","0.003","106.757","0.003","93.601","0.003","1352.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Ag2 N7 O8 -","- C24 H19 Ag2 N7 O8 -","- C48 H38 Ag4 N14 O16 -","2","1","","Li, Cheng-Peng; Chen, Jing; Guo, Wei; Du, Miao","Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole","Journal of Solid State Chemistry","2015","223","","95","103","10.1016/j.jssc.2014.06.038","","","0.71073","MoKα","","0.072","0.0489","","","0.1187","0.1336","","","","","","1.023","","","","has coordinates,has disorder","264535","2021-04-26","08:43:18",""
"1562102","12.0568","0.0006","13.519","0.0012","13.6902","0.0007","105.784","0.001","115.961","0.001","102.497","0.001","1779.6","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H24.5 Ag F3 N12 O3.25 S -","- C35 H24 Ag F3 N12 O3.25 S -","- C70 H48 Ag2 F6 N24 O6.5 S2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Guo, Wei; Du, Miao","Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole","Journal of Solid State Chemistry","2015","223","","95","103","10.1016/j.jssc.2014.06.038","","","0.71073","MoKα","","0.0391","0.0336","","","0.087","0.0916","","","","","","1.067","","","","has coordinates","264535","2021-04-26","08:43:34",""
"1562103","30.2029","0.0013","30.2029","0.0013","30.2029","0.0013","90","","90","","90","","27552","2","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H26 N0 O16 Zr3 -","- C48 H24 O16 Zr3 -","- C384 H192 O128 Zr24 -","8","0.0416667","","Lv, Xiu-Liang; Tong, Minman; Huang, Hongliang; Wang, Bin; Gan, Lei; Yang, Qingyuan; Zhong, Chongli; Li, Jian-Rong","A high surface area Zr(IV)-based metal‒organic framework showing stepwise gas adsorption and selective dye uptake","Journal of Solid State Chemistry","2015","223","","104","108","10.1016/j.jssc.2014.07.001","","","0.71073","MoKα","","0.0718","0.0565","","","0.1744","0.1827","","","","","","1.119","","","","has coordinates","264536","2021-04-26","08:48:03",""
"1562104","16.483","0.004","23.43","0.006","19.877","0.005","90","","90.027","0.006","90","","7676","3","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H86 Fe2 N3 Ni O16 S3 -","- C61 H86 Fe2 N3 Ni O16 S3 -","- C244 H344 Fe8 N12 Ni4 O64 S12 -","4","1","","Lytvynenko, Anton S.; Kiskin, Mikhail A.; Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V.; Eremenko, Igor L.; Novotortsev, Vladimir M.","Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior","Journal of Solid State Chemistry","2015","223","","122","130","10.1016/j.jssc.2014.07.025","","","0.71073","MoKα","","0.306","0.1038","","","0.2544","0.3016","","","","","","0.692","","","","has coordinates,has disorder","264537","2021-04-26","08:53:23",""
"1562105","16.59","0.02","16.79","0.02","23.58","0.04","90","","90","","90","","6568","16","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 Fe2 N3 Ni O14 S -","- C57 H77 Fe2 N3 Ni O14 S -","- C228 H308 Fe8 N12 Ni4 O56 S4 -","4","1","","Lytvynenko, Anton S.; Kiskin, Mikhail A.; Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V.; Eremenko, Igor L.; Novotortsev, Vladimir M.","Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior","Journal of Solid State Chemistry","2015","223","","122","130","10.1016/j.jssc.2014.07.025","","","0.71073","MoKα","","0.3379","0.0853","","","0.1691","0.2832","","","","","","0.899","","","","has coordinates","264537","2021-04-26","08:53:24",""
"1562106","7.2628","0.0018","7.3933","0.0018","10.49","0.003","81.604","0.003","83.479","0.003","77.488","0.003","542","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O5 Pb -","- C10 H10 O5 Pb -","- C20 H20 O10 Pb2 -","2","1","","Wu, Yunlong; Zhao, Yanqing; Yang, Guo-Ping; Guo, Yanjun; Wang, Yao-Yu; Shi, Qi-Zhen","Influence of the steric effect of flexible isomeric phenylenediacetic acids on the resultant lead(II) coordination polymers","Journal of Solid State Chemistry","2015","223","","131","137","10.1016/j.jssc.2014.07.018","","","0.71073","MoKα","","0.0443","0.0398","","","0.1035","0.1159","","","","","","1.094","","","","has coordinates","264539","2021-04-26","09:19:08",""
"1562107","7.3228","0.0012","9.0811","0.0015","16.657","0.003","90","","90","","90","","1107.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Pb -","- C10 H10 O5 Pb -","- C40 H40 O20 Pb4 -","4","1","","Wu, Yunlong; Zhao, Yanqing; Yang, Guo-Ping; Guo, Yanjun; Wang, Yao-Yu; Shi, Qi-Zhen","Influence of the steric effect of flexible isomeric phenylenediacetic acids on the resultant lead(II) coordination polymers","Journal of Solid State Chemistry","2015","223","","131","137","10.1016/j.jssc.2014.07.018","","","0.71073","MoKα","","0.0438","0.0407","","","0.1062","0.1082","","","","","","1.074","","","","has coordinates","264539","2021-04-26","09:19:09",""
"1562108","8.2095","0.0016","12.047","0.002","12.653","0.002","78.026","0.004","82.467","0.004","89.128","0.005","1213.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Gd N2 O7 -","- C30 H19 Gd N2 O7 -","- C60 H38 Gd2 N4 O14 -","2","1","","Fang, Ming; Li, Xiuhua; Cui, Ping; Zhao, Bin","Ferromagnetic interactions and slow magnetic relaxation behaviors of two lanthanide coordination polymers bridged by 2,6-naphthalenedicarboxylate ligand","Journal of Solid State Chemistry","2015","223","","138","143","10.1016/j.jssc.2014.07.020","","","0.71075","MoKα","","0.0967","0.0691","","","0.1348","0.1501","","","","","","1.117","","","","has coordinates","264540","2021-04-26","09:22:59",""
"1562109","10.8237","0.0011","12.1862","0.0013","12.2493","0.0012","94.301","0.003","106.53","0.004","101.281","0.003","1504.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H21 Dy N2 O8 -","- C36 H21 Dy N2 O8 -","- C72 H42 Dy2 N4 O16 -","2","1","","Fang, Ming; Li, Xiuhua; Cui, Ping; Zhao, Bin","Ferromagnetic interactions and slow magnetic relaxation behaviors of two lanthanide coordination polymers bridged by 2,6-naphthalenedicarboxylate ligand","Journal of Solid State Chemistry","2015","223","","138","143","10.1016/j.jssc.2014.07.020","","","0.71075","MoKα","","0.054","0.0448","","","0.098","0.1114","","","","","","1.107","","","","has coordinates","264540","2021-04-26","09:23:00",""
"1562110","3.82844","0.00013","3.82843","0.00013","15.89661","0.00071","90","","90","","120","","201.78","0.013","","","298","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Calcium Silicide","","- Ca Si2 -","- Ca0.083 Si0.334 -","- Ca0.249 Si1.002 -","3","0.0833333","","Nedumkandathil, Reji; Benson, Daryn E.; Grins, Jekabs; Spektor, Kristina; Häussermann, Ulrich","The 3R polymorph of CaSi2","Journal of Solid State Chemistry","2015","222","","18","24","10.1016/j.jssc.2014.10.033","powder diffraction","","0.207059","X-ray","","","","","","","","","4.6937","","","","","","","","has coordinates","264541","2021-04-26","09:30:43",""
"1562111","13.7364","0.0002","9.2666","0.0002","11.5678","0.0002","90","","90","","90","","1472.46","0.05","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","Dicesium copper dioxovanadium (IV) Bis (diphosphate (V))","","","- Cs8 Cu4.4 O63.6 P16 V7.6 -","- Cs8 Cu4.4 O63.6 P16 V7.6 -","- Cs8 Cu4.4 O63.6 P16 V7.6 -","1","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Bychkov, Andrey; Shcherbakov, Vasiliy; Golovanov, Alexey; Zvereva, Elena; Volkova, Olga; Vasiliev, Alexander","A cesium copper vanadyl-diphosphate: Synthesis, crystal structure and physical properties","Journal of Solid State Chemistry","2015","222","","44","52","10.1016/j.jssc.2014.11.004","","","0.7107","MoKα","","0.0361","0.0295","","","0.06","0.063","","","","","","1.068","","","","has coordinates,has Fobs","264543","2021-04-26","09:36:32",""
"1562112","5.03371","0.00011","5.03371","0.00011","9.9437","0.0004","90","","90","","90","","251.956","0.013","200","","200","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ba2 O Te -","- Ba2 O Te -","- Ba4 O2 Te2 -","2","0.125","","Besara, T.; Ramirez, D.; Sun, J.; Whalen, J.B.; Tokumoto, T.D.; McGill, S.A.; Singh, D.J.; Siegrist, T.","Ba2TeO: A new layered oxytelluride","Journal of Solid State Chemistry","2015","222","","60","65","10.1016/j.jssc.2014.11.003","","","0.71073","MoKα","","0.0751","0.0557","","0.0769","0.0721","0.0769","","","","","","1.2831","","","","has coordinates","264544","2021-04-26","09:40:26",""
"1562113","5.56175","0.00001","7.14749","0.00001","5.46875","0.00001","90","","90","","90","","217.397","0.0006","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ag Ga O2 -","- Ag Ga O2 -","- Ag4 Ga4 O8 -","4","1","","Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Omata, Takahisa","Structure of β-AgGaO2; ternary I‒III‒VI2 oxide semiconductor with a wurtzite-derived structure","Journal of Solid State Chemistry","2015","222","","66","70","10.1016/j.jssc.2014.11.012","","","0.65273","synchrotronradiation","","","","","","","","","","","","","","","","","has coordinates","264545","2021-04-26","09:43:24",""
"1562131","17.977","0.004","11.648","0.002","24.687","0.005","90","","91.54","0.03","90","","5167.5","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cl2 Fe N8 O18 -","- C40 H34 Cl2 Fe N8 O18 -","- C160 H136 Cl8 Fe4 N32 O72 -","4","0.5","","Luo, Yang-Hui; Liu, Qing-Ling; Yang, Li-Jing; Ling, Yang; Wang, Wei; Sun, Bai-Wang","Ligand field and intermolecular interactions tuning the magnetic properties of spin-crossover Fe(II) polymer with 4,4′-bipyridine","Journal of Solid State Chemistry","2015","222","","76","83","10.1016/j.jssc.2014.11.006","","","0.71073","MoKα","","0.1594","0.1094","","","0.3166","0.3518","","","","","","1.199","","","","has coordinates","264573","2021-04-27","07:29:07",""
"1562132","38.903","0.006","4.0877","0.0007","15.37","0.003","90","","90","","90","","2444.2","0.7","150","2","150","2","","","","","","","synthesized by the authors","3","P n m a","-P 2ac 2n","62","Gallium(7)Germanium(3)Tellurium(11)","","","- Ga7 Ge3 Te11 -","- Ga7 Ge3 Te11 -","- Ga28 Ge12 Te44 -","4","0.5","","Drasar, Cestmir; Cisarova, Ivana; Kucek, Vladimir; Benes, Ludvik; Prokleska, Jan; Kratochvilova, Marie","Synthesis of new Ga7Ge3Te11—One-dimensional phase in Ga‒Ge‒Te ternary system: Crystal structure and physical properties","Journal of Solid State Chemistry","2015","222","","90","95","10.1016/j.jssc.2014.11.013","","","0.71073","MoKα","","0.0964","0.0449","","","0.0815","0.0961","","","","","","0.981","","","","has coordinates","264574","2021-04-27","07:33:07",""
"1562133","16.4886","0.0015","23.079","0.002","13.811","0.002","90","","124.366","0.002","90","","4338.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Cu N4 O8 -","- C24 H14 Cu N4 O8 -","- C192 H112 Cu8 N32 O64 -","8","1","","Liu, Jiancai; Zhang, Yudong; Shang, Sensen; Li, Yanzhou; Chen, Lijuan; Zhao, Junwei","Syntheses, structures and properties of three metal‒organic complexes containing 2,2′-dipyridyl-5,5′-dicarboxylate ligands","Journal of Solid State Chemistry","2015","221","","5","13","10.1016/j.jssc.2014.09.006","","","0.71073","MoKα","","0.0653","0.0404","","","0.094","0.1024","","","","","","1.027","","","","has coordinates","264575","2021-04-27","07:41:46",""
"1562134","11.9004","0.0016","8.349","0.0011","16.2815","0.0016","90","","129.965","0.006","90","","1239.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 Ni O6 -","- C12 H6 N2 Ni O6 -","- C48 H24 N8 Ni4 O24 -","4","1","","Liu, Jiancai; Zhang, Yudong; Shang, Sensen; Li, Yanzhou; Chen, Lijuan; Zhao, Junwei","Syntheses, structures and properties of three metal‒organic complexes containing 2,2′-dipyridyl-5,5′-dicarboxylate ligands","Journal of Solid State Chemistry","2015","221","","5","13","10.1016/j.jssc.2014.09.006","","","0.71073","MoKα","","0.0347","0.0298","","","0.0872","0.0894","","","","","","1.052","","","","has coordinates","264575","2021-04-27","07:41:49",""
"1562135","13.123","0.003","6.4658","0.0012","17.959","0.004","90","","98.151","0.003","90","","1508.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 Ni O10 S -","- C12 H8 N2 Ni O10 S -","- C48 H32 N8 Ni4 O40 S4 -","4","1","","Liu, Jiancai; Zhang, Yudong; Shang, Sensen; Li, Yanzhou; Chen, Lijuan; Zhao, Junwei","Syntheses, structures and properties of three metal‒organic complexes containing 2,2′-dipyridyl-5,5′-dicarboxylate ligands","Journal of Solid State Chemistry","2015","221","","5","13","10.1016/j.jssc.2014.09.006","","","0.71073","MoKα","","0.0686","0.0667","","","0.2259","0.2267","","","","","","1.079","","","","has coordinates","264575","2021-04-27","07:41:52",""
"1562136","10.472","0.005","10.737","0.007","11.509","0.004","82.26","0.02","78.11","0.02","70.85","0.02","1193.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H17 Dy N2 O7 S -","- C26 H17 Dy N2 O7 S -","- C52 H34 Dy2 N4 O14 S2 -","2","1","","Zhong, Jie-Cen; Wan, Fang; Sun, Yan-Qiong; Chen, Yi-Ping","Luminescent hybrid lanthanide sulfates and lanthanide sulfonate-carboxylates with 1,10-phenanthroline involving in-situ oxidation of 2-mercaptonbenzoic acid","Journal of Solid State Chemistry","2015","221","","14","20","10.1016/j.jssc.2014.08.037","","","0.71073","MoKα","","0.0249","0.0221","","","0.0765","0.0853","","","","","","1.003","","","","has coordinates","264576","2021-04-27","07:48:31",""
"1562137","10.506","0.005","10.763","0.007","11.545","0.006","82.092","0.002","78.125","0.002","71","0.02","1204.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H17 Eu N2 O7 S -","- C26 H17 Eu N2 O7 S -","- C52 H34 Eu2 N4 O14 S2 -","2","1","","Zhong, Jie-Cen; Wan, Fang; Sun, Yan-Qiong; Chen, Yi-Ping","Luminescent hybrid lanthanide sulfates and lanthanide sulfonate-carboxylates with 1,10-phenanthroline involving in-situ oxidation of 2-mercaptonbenzoic acid","Journal of Solid State Chemistry","2015","221","","14","20","10.1016/j.jssc.2014.08.037","","","0.71073","MoKα","","0.0228","0.0208","","","0.0607","0.0616","","","","","","0.996","","","","has coordinates","264576","2021-04-27","07:48:35",""
"1562138","10.228","0.006","12.302","0.005","12.516","0.006","72.36","0.017","75.74","0.014","83.322","0.017","1453.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 Nd2 O14 S3 -","- C24 H20 N4 Nd2 O14 S3 -","- C48 H40 N8 Nd4 O28 S6 -","2","1","","Zhong, Jie-Cen; Wan, Fang; Sun, Yan-Qiong; Chen, Yi-Ping","Luminescent hybrid lanthanide sulfates and lanthanide sulfonate-carboxylates with 1,10-phenanthroline involving in-situ oxidation of 2-mercaptonbenzoic acid","Journal of Solid State Chemistry","2015","221","","14","20","10.1016/j.jssc.2014.08.037","","","0.71073","MoKα","","0.0271","0.0238","","","0.0781","0.0866","","","","","","1.029","","","","has coordinates","264576","2021-04-27","07:48:46",""
"1562139","10.195","0.009","12.316","0.011","12.552","0.01","71.92","0.03","75.75","0.04","83.6","0.05","1451","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O14 S3 Sm2 -","- C24 H20 N4 O14 S3 Sm2 -","- C48 H40 N8 O28 S6 Sm4 -","2","1","","Zhong, Jie-Cen; Wan, Fang; Sun, Yan-Qiong; Chen, Yi-Ping","Luminescent hybrid lanthanide sulfates and lanthanide sulfonate-carboxylates with 1,10-phenanthroline involving in-situ oxidation of 2-mercaptonbenzoic acid","Journal of Solid State Chemistry","2015","221","","14","20","10.1016/j.jssc.2014.08.037","","","0.71073","MoKα","","0.0565","0.0476","","","0.1313","0.1421","","","","","","1.067","","","","has coordinates","264576","2021-04-27","07:48:49",""
"1562140","10.511","0.006","10.774","0.006","11.548","0.008","82.098","0.002","78.14","0.002","70.975","0.002","1206.4","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H17 N2 O7 S Sm -","- C26 H17 N2 O7 S Sm -","- C52 H34 N4 O14 S2 Sm2 -","2","1","","Zhong, Jie-Cen; Wan, Fang; Sun, Yan-Qiong; Chen, Yi-Ping","Luminescent hybrid lanthanide sulfates and lanthanide sulfonate-carboxylates with 1,10-phenanthroline involving in-situ oxidation of 2-mercaptonbenzoic acid","Journal of Solid State Chemistry","2015","221","","14","20","10.1016/j.jssc.2014.08.037","","","0.71073","MoKα","","0.0287","0.0257","","","0.065","0.0757","","","","","","1.008","","","","has coordinates","264576","2021-04-27","07:48:59",""
"1562141","13.208","0.003","9.1067","0.0018","12.325","0.003","90","","90","","90","","1482.5","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Potassium-sodiumhydroxoborate-nitrate","","","- B6 H3 K3 N Na O15 -","- B6 H3 K3 N Na O15 -","- B24 H12 K12 N4 Na4 O60 -","4","0.5","","Ortner, Teresa S.; Wurst, Klaus; Perfler, Lukas; Tribus, Martina; Huppertz, Hubert","Hydrothermal synthesis and characterization of the first mixed alkali borate-nitrate K3Na[B6O9(OH)3]NO3","Journal of Solid State Chemistry","2015","221","","66","72","10.1016/j.jssc.2014.09.016","","","0.71073","MoKα","","0.0654","0.0457","","","0.1266","0.1371","","","","","","1.042","","","","has coordinates","264577","2021-04-27","07:54:45",""
"1562142","7.0054","0.001","17.5092","0.0003","7.3053","0.001","90","","92.299","0.01","90","","895.34","0.18","298","0.2","298","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Bi2 H2 O19 Se6 Sr3 -","- Bi2 O19 Se6 Sr3 -","- Bi4 O38 Se12 Sr6 -","2","0.5","","Ahn, Hyun Sun; Lee, Eun Pyo; Chang, Hong-Young; Lee, Dong Woo; Ok, Kang Min","Sr3Bi2(SeO3)6·H2O: A novel anionic layer consisting of second-order Jahn‒Teller (SOJT) distortive cations","Journal of Solid State Chemistry","2015","221","","73","78","10.1016/j.jssc.2014.09.018","","","0.71073","MoKα","","0.0502","0.0363","","","0.0975","0.1012","","","","","","1.073","","","","has coordinates","264578","2021-04-27","08:12:44",""
"1562143","9.7811","0.0015","13.126","0.002","17.998","0.003","90","","90","","90","","2310.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cd N6 O7 -","- C18 H26 Cd N6 O7 -","- C72 H104 Cd4 N24 O28 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0726","0.0547","","","0.1303","0.15","","","","","","1.029","","","","has coordinates","264579","2021-04-27","08:17:50",""
"1562144","10.864","0.0014","12.6272","0.0015","19.317","0.002","90","","90","","90","","2649.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cd N7 O8 -","- C20 H27 Cd N7 O8 -","- C80 H108 Cd4 N28 O32 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0509","0.0424","","","0.1034","0.1095","","","","","","1.059","","","","has coordinates","264579","2021-04-27","08:17:51",""
"1562145","10.979","0.004","14.684","0.005","16.958","0.006","90","","90","","90","","2733.9","1.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Cd N6 O11 -","- C19 H36 Cd N6 O11 -","- C76 H144 Cd4 N24 O44 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0656","0.0542","","","0.138","0.145","","","","","","1.046","","","","has coordinates","264579","2021-04-27","08:17:54",""
"1562146","9.906","0.0019","14.876","0.003","30.268","0.006","90","","90","","90","","4460.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cd2 N12 O14 -","- C36 H52 Cd2 N12 O14 -","- C144 H208 Cd8 N48 O56 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0682","0.0407","","","0.058","0.0649","","","","","","1.007","","","","has coordinates","264579","2021-04-27","08:17:56",""
"1562147","9.873","0.009","13.949","0.014","15.792","0.015","90","","95.248","0.013","90","","2166","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H52 Cd2 N12 O14 -","- C36 H52 Cd2 N12 O14 -","- C72 H104 Cd4 N24 O28 -","2","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.1165","0.0672","","","0.1341","0.1569","","","","","","1.033","","","","has coordinates","264579","2021-04-27","08:17:57",""
"1562148","6.8","0.003","7.8168","0.001","8.718","0.002","108.032","0.01","108.48","0.03","100.11","0.02","398.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- As3 Co2 Na O10 -","- As3 Co2 Na O10 -","- As6 Co4 Na2 O20 -","2","1","","Ben Smida, Y.; Marzouki, R.; Guesmi, A.; Georges, S.; Zid, M.F.","Synthesis, structural and electrical properties of a new cobalt arsenate NaCo2As3O10","Journal of Solid State Chemistry","2015","221","","132","139","10.1016/j.jssc.2014.09.029","","","0.71073","MoKα","","0.0275","0.0216","","","0.0529","0.0551","","","","","","1.077","","","","has coordinates","264580","2021-04-27","08:22:41",""
"1562149","15.1696","0.0008","15.688","0.0007","16.5878","0.0008","67.193","0.004","67.5","0.005","63.632","0.005","3152.6","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H112 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H112 Cu2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.0885","0.0587","","","0.1099","0.1219","","","","","","1.02","","","","has coordinates","264581","2021-04-27","08:32:48",""
"1562150","15.2127","0.0006","15.7164","0.0006","16.6713","0.0007","67.182","0.004","67.534","0.004","64.152","0.004","3195.5","0.3","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Cu2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.0753","0.0479","","","0.0969","0.1043","","","","","","1.082","","","","has coordinates,has disorder","264581","2021-04-27","08:32:48",""
"1562151","15.3287","0.0011","15.8229","0.0011","16.815","0.001","67.155","0.006","67.603","0.006","64.738","0.007","3283.6","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Cu2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Cu2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.1193","0.0692","","","0.1439","0.1743","","","","","","1.026","","","","has coordinates,has disorder","264581","2021-04-27","08:32:48",""
"1562152","15.1646","0.0006","15.6356","0.0005","16.6409","0.0004","67.172","0.002","67.267","0.003","64.004","0.003","3155.2","0.2","99.95","0.1","99.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.049","0.0362","","","0.0677","0.071","","","","","","1.047","","","","has coordinates","264581","2021-04-27","08:32:48",""
"1562153","15.2361","0.0005","15.6887","0.0004","16.7453","0.0006","67.104","0.003","67.13","0.003","64.552","0.003","3209.4","0.2","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.0554","0.0387","","","0.0816","0.0872","","","","","","1.027","","","","has coordinates","264581","2021-04-27","08:32:48",""
"1562154","15.357","0.002","15.7839","0.0017","16.858","0.0018","66.933","0.01","67.387","0.012","64.923","0.013","3286.1","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","- C48 H98 Ag2 I22 N16 O16 Pb7 Y2 -","1","0.5","","Li, Honghong; Yu, Tanlai; An, Li; Wang, Yilin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Heterometal silver/copper(I) modulated thermochromism of two isostructural iodoplumbates","Journal of Solid State Chemistry","2015","221","","140","144","10.1016/j.jssc.2014.09.036","","","0.71073","MoKα","","0.1318","0.0701","","","0.1531","0.1913","","","","","","1.037","","","","has coordinates,has disorder","264581","2021-04-27","08:32:49",""
"1562155","22.43472","0.00013","22.43472","0.00013","5.33154","0.00004","90","","90","","120","","2323.94","0.03","293","","","","","","","","","","","5","P 3","P 3","143","","","","- Mn3 O14 P2 Pb3 Te -","- Mn7 O32.6667 P4.66666 Pb7 Te2.33333 -","- Mn21 O98 P14 Pb21 Te6.99999 -","3","1","","Silverstein, Harlyn J.; Huq, Ashfia; Lee, Minseong; Choi, Eun Sang; Zhou, Haidong; Wiebe, Christopher R.","Nuclear and magnetic supercells in the multiferroic candidate: Pb3TeMn3P2O14","Journal of Solid State Chemistry","2015","221","","216","223","10.1016/j.jssc.2014.10.007","powder diffraction","","","X-ray","","","","","","","","","3.4011","","","","","","","","has coordinates","264584","2021-04-27","08:45:08",""
"1562156","9.58199","0.00002","8.95501","0.00001","5.50344","0.00002","90","","90.6858","0.00001","90","","472.199","0.002","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Caesium Magnesium Phosphate","","","- Cs Mg O4 P -","- Cs Mg O4 P -","- Cs4 Mg4 O16 P4 -","4","1","","Orlova, Maria; Khainakov, Sergey; Michailov, Dmitriy; Perfler, Lukas; Langes, Christoph; Kahlenberg, Volker; Orlova, Albina","Low temperature phase transition and crystal structure of CsMgPO4","Journal of Solid State Chemistry","2015","221","","224","229","10.1016/j.jssc.2014.09.037","powder diffraction","","0.39983","synchrotron","","","","","","","","","4.5571","2.0282","","","","","","","has coordinates","264585","2021-04-27","08:50:17",""
"1562157","6.6161","0.0007","6.6161","0.001","9.788","0.003","90","","90","","120","","371.05","0.13","298","2","298","2","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Co K O9 P3 -","- Co K O9 P3 -","- Co2 K2 O18 P6 -","2","0.166667","","Ben Smida, Y.; Guesmi, A.; Georges, S.; Zid, M.F.","Synthesis, crystal structure and electrical proprieties of new phosphate KCoP3O9","Journal of Solid State Chemistry","2015","221","","278","284","10.1016/j.jssc.2014.09.026","","","0.71073","MoKα","","0.0142","0.0141","","","0.0382","0.0383","","","","","","1.231","","","","has coordinates","264586","2021-04-27","09:17:36",""
"1562158","14.429","0.003","17.916","0.004","17.441","0.004","90","","90","","90","","4508.7","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C50 H37 Cd2 N6 O11.5 S -","- C50 H35 Cd2 N6 O11.5 S -","- C200 H140 Cd8 N24 O46 S4 -","4","1","","Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair","A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics","Journal of Solid State Chemistry","2015","221","","345","350","10.1016/j.jssc.2014.10.002","","","0.71073","MoKα","","0.0605","0.0465","","","0.1123","0.1225","","","","","","1.06","","","","has coordinates,has disorder","264587","2021-04-27","09:19:11",""
"1562159","14.424","0.003","17.798","0.004","17.195","0.003","90","","90","","90","","4414.3","1.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C50 H35.5 Mn2 N6 O10.75 S -","- C50 H35.5 Mn2 N6 O10.75 S -","- C200 H142 Mn8 N24 O43 S4 -","4","1","","Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair","A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics","Journal of Solid State Chemistry","2015","221","","345","350","10.1016/j.jssc.2014.10.002","","","0.71073","MoKα","","0.0481","0.0383","","","0.1092","0.1296","","","","","","1.107","","","","has coordinates","264587","2021-04-27","09:19:12",""
"1562160","22.1995","0.0005","15.3403","0.0005","16.6948","0.0005","90","","130.303","0.001","90","","4335.9","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21.5 Cd Cl N3 O5.75 -","- C22 H21.5 Cd Cl N3 O5.75 -","- C176 H172 Cd8 Cl8 N24 O46 -","8","1","","Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair","A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics","Journal of Solid State Chemistry","2015","221","","345","350","10.1016/j.jssc.2014.10.002","","","0.71073","MoKα","","0.0488","0.0349","","","0.0956","0.1141","","","","","","1.121","","","","has coordinates","264587","2021-04-27","09:19:12",""
"1562161","13.9189","0.0006","13.9189","0.0006","23.7641","0.0011","90","","90","","90","","4604","0.4","100","2","100","2","","","","","","","","4","I 4 c m","I 4 -2c","108","","","","- Ag10 Ba9 S24 U4 -","- Ag10 Ba9 S24 U4 -","- Ag40 Ba36 S96 U16 -","4","0.25","","Mesbah, Adel; Stojko, Wojciech; Lebègue, Sébastien; Malliakas, Christos D.; Frazer, Laszlo; Ibers, James A.","The U5+ compound Ba9Ag10U4S24: Synthesis, structure, and electronic properties","Journal of Solid State Chemistry","2015","221","","398","404","10.1016/j.jssc.2014.10.014","","","0.71073","MoKα","","0.0257","0.0227","","","0.0447","0.0454","","","","","","1.61","","","","has coordinates","264588","2021-04-27","09:25:31",""
"1562162","6.4972","0.0014","6.9659","0.0015","6.7769","0.0014","90","","105.066","0.003","90","","296.17","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Huttonite","","","- O4 Si Th -","- O4 Si Th -","- O16 Si4 Th4 -","4","1","","Jin, Geng Bang; Soderholm, L.","Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates","Journal of Solid State Chemistry","2015","221","","405","410","10.1016/j.jssc.2014.10.018","","","0.71073","MoKα","","0.0238","0.0211","","","0.0467","0.0476","","","","","","1.016","","","","has coordinates","264589","2021-04-27","09:29:34",""
"1562163","7.497","0.002","7.497","0.002","14.886","0.004","90","","90","","90","","836.7","0.4","100","2","100","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","Calcium sodium thorium silicate","","","- Ca Na2 O20 Si8 Th -","- Ca Na2 O20 Si8 Th -","- Ca2 Na4 O40 Si16 Th2 -","2","0.125","","Jin, Geng Bang; Soderholm, L.","Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates","Journal of Solid State Chemistry","2015","221","","405","410","10.1016/j.jssc.2014.10.018","","","0.71073","MoKα","","0.0349","0.0231","","","0.051","0.0563","","","","","","1.164","","","","has coordinates","264589","2021-04-27","09:29:37",""
"1562164","7.4379","0.0016","7.4379","0.0016","14.888","0.003","90","","90","","90","","823.6","0.3","100","2","100","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","Calcium sodium uranium silicate","","","- Ca Na2 O20 Si8 U -","- Ca Na2 O20 Si8 U -","- Ca2 Na4 O40 Si16 U2 -","2","0.125","","Jin, Geng Bang; Soderholm, L.","Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates","Journal of Solid State Chemistry","2015","221","","405","410","10.1016/j.jssc.2014.10.018","","","0.71073","MoKα","","0.0388","0.0292","","","0.0727","0.0793","","","","","","1.267","","","","has coordinates","264589","2021-04-27","09:29:42",""
"1562165","7.9685","0.0002","25.2773","0.0005","9.17","0.0007","90","","109.674","0.008","90","","1739.22","0.17","163","2","163","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C28 H20 I4 N8 Pb2 -","- C28 H19 I4 N8 Pb2 -","- C56 H38 I8 N16 Pb4 -","2","","","Saghatforoush, Lotfali; Bakhtiari, Akbar; Gheleji, Hojjat","Synthesis, X-ray crystal structure, optical properties and DFT studies of a new 2D layered iodide bridged Pb(II) coordination polymer with 2,3-bis(2-pyridyl)pyrazine","Journal of Solid State Chemistry","2015","221","","433","440","10.1016/j.jssc.2014.10.023","","","1.54178","","","0.083","0.0636","","","0.1419","0.1815","","","","","","1.159","","","","has coordinates","264590","2021-04-27","09:34:26",""
"1564814","9.2619","0.0003","16.0548","0.0003","9.757","0.0003","90","","115.685","0.004","90","","1307.49","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Fe N O12 P3 -","- C3 H16 Fe N O12 P3 -","- C12 H64 Fe4 N4 O48 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Shumilova, M.A.; Aleksandrov, V.A.; Petrov, V.G.","Synthesis, Structure, and Properties of Nitrilo-tris(methylenephosphonato)-triaquairon(II) {Fe[μ-NH(CH2PO3H)3](H2O)3}, as an Ingredient of Anticorrosive Protective Coatings on the Steel Surface","Crystallography Reports","2015","60","6","853","859","10.1134/S1063774515060334","","x-ray","0.71073","MoKα","","0.0198","0.0191","","","0.0511","0.0514","","","","","","1.103","","","","has coordinates","269860","2021-10-08","06:14:47",""
"1564816","13.53204","0.00018","28.1457","0.0003","23.0424","0.0003","90","","104.551","0.0014","90","","8494.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 La N3 O6 -","- C84 H120 La N3 O6 -","- C336 H480 La4 N12 O24 -","4","1","","Maleev, A. A.; Trofimova, O.Yu.; Pushkarev, A.P.; Somov, N.V.; Travkin, V.V.; Pakhomov, G.L.; Piskunov, A.V.; Bochkareva, M.N.","Photovoltaic Properties of Zn, Al, La, Sm, and Yb Complexes with o-Iminobenzoquinone Ligands","Nanotechnologies in Russia","2015","10","7-8","613","620","10.1134/S1995078015040138","","","1.54184","CuKα","","0.033","0.026","","","0.0643","0.0655","","","","","","0.947","","","","has coordinates","269558","2021-10-05","09:59:04",""
"1564817","9.2092","0.0002","16.054","0.0002","9.7445","0.0002","90","","115.778","0.003","90","","1297.3","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 Co N O12 P3 -","- C3 H13 Co N O12 P3 -","- C12 H52 Co4 N4 O48 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.","Synthesis and Structure of Cobalt(II) Complexes with Nitrilotris(methylenephosphonic) Acid [Co(H2O)3{NH(CH2PO3H)3}] and Na4[Co{N(CH2PO3)3}] 13H2O","Russian Journal of Coordination Chemistry","2015","41","12","798","804","10.1134/S1070328415110081","","x-ray","0.71073","MoKα","","0.03","0.0258","","","0.0684","0.0704","","","","","","1.087","","","","has coordinates","269559","2021-10-05","09:59:23",""
"1566121","9.6854","0.0002","9.9691","0.0002","10.4536","0.0002","87.793","0.002","63.452","0.002","85.496","0.002","900.12","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1581 M6 Ligand L1, H4Me2hybeb","1,2-bis(2-hydroxybenzamido)-4,5-dimethylbenzene, (H4Me2hybeb)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C44 H40 N4 O8 -","2","1","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0458","0.0406","","","0.1116","0.1179","","","","","","1.018","","","","has coordinates","272222","2022-01-25","10:25:38",""
"1566122","27.3312","0.0009","12.3272","0.0004","17.8035","0.0006","90","","125.968","0.002","90","","4854.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1580 M5 Ligand L2, H4Me2hybeb","1,2-bis(2-hydroxynaphthyl-3-carboxamido)-4,5-dimethylbenzene, (H4Me2hybeb)","","- C30 H24 N2 O4 -","- C30 H24 N2 O4 -","- C240 H192 N16 O32 -","8","1","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0567","0.0427","","","0.1104","0.1237","","","","","","1.037","","","","has coordinates","272222","2022-01-25","10:25:49",""
"1566123","12.0549","0.0006","12.4484","0.0006","12.7005","0.0006","65.574","0.003","63.112","0.003","85.976","0.003","1531.6","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1598 SM2prime [Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)","[Co4(μ3-OH)2(μ2-Me2hybeb)2(CH3CN)6].2H2O.2(CH3CN)","","- C60 H62 Co4 N12 O12 -","- C56 H52 Co4 N10 O12 -","- C56 H52 Co4 N10 O12 -","1","0.5","","Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt","Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids","Comptes Rendus Chimie","2015","18","6","654","661","10.1016/j.crci.2014.11.001","","","0.71073","MoKα","","0.0937","0.0542","","","0.1372","0.1575","","","","","","1.09","","","","has coordinates","272222","2022-01-25","10:26:01",""
"1566261","9.0664","0.0012","9.0664","0.0012","6.911","0.0006","90","","90","","120","","491.97","0.1","302","2","302","","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C3 Na8 O22 S2 U -","- C3 Na8 O22.0002 S1.9998 U -","- C3 Na8 O22.0002 S1.9998 U -","1","0.0833333","","Jakub Plasil; Jan Hlousek; Anatoly V. Kasatkin; Dmitry I. Belakovskiy; Jiri Cejka; Dmitry Chernyshov","Jezekite, Na8[(UO2)(CO3)3](SO4)2 . 3H2O, a new uranyl mineral from Jachymov, Czech Republic","Journal of GeoSciences","2015","60","","259","267","10.3190/jgeosci.203","","x-ray","0.71073","MoKα","","0.0454","0.0426","","","0.0832","0.0846","","","","1.43","1.43","1.41","","","","has coordinates","272424","2022-02-02","10:16:52",""
"1566262","17.8589","0.0006","17.8589","0.0006","23.6935","0.0008","90","","90","","120","","6544.4","0.4","293","","293","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C3 H10.492 Ca Na2 O16.246 U -","- C3 Ca Na2 O16.3333 U -","- C54 Ca18 Na36 O294 U18 -","18","0.5","","Jakub Plasil; Jiri Cejka","A note on the molecular water content in uranyl carbonate mineral andersonite","Journal of GeoSciences","2015","60","","181","187","10.3190/jgeosci.193","","x-ray","0.71073","MoKα","","0.0336","0.0286","","","0.0837","0.0879","","","","1.18","1.18","1.16","","","","has coordinates","272425","2022-02-02","10:26:18",""
"1566263","12.785","0.0003","8.2683","0.0004","11.2163","0.0003","90","","90","","90","","1185.68","0.07","300","","300","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- Ca0 K2 Mg Na0 O28 S4 U2 -","- K2 Mg O28 S4 U2 -","- K4 Mg2 O56 S8 U4 -","2","0.5","","Jakub Plasil; Jan Hlousek; Anatoly V. Kasatkin; Milan Novak; Jiri Cejka; Ladislav Lapcak","Svornostite, K2Mg[(UO2)(SO4)2]2 . 8H2O, a new uranyl sulfate mineral from Jachymov, Czech Republic","Journal of GeoSciences","2015","60","","113","121","10.3190/jgeosci.192","","x-ray","0.71073","MoKα","","0.028","0.023","","","0.0567","0.0587","","","","1.38","1.38","1.34","","","","has coordinates","272426","2022-02-02","10:32:40",""
"1566264","8.6653","0.0004","8.8499","0.0005","9.9908","0.0006","72.103","0.006","70.512","0.005","76.07","0.005","679.12","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Cu3 H26 O34 S2 U4 -","- Cu3 O34 S2 U4 -","- Cu3 O34 S2 U4 -","1","0.5","","Jakub Plasil","Crystal structure refinement of pseudojohannite, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12, from the type locality - Jachymov, Czech Republic","Journal of GeoSciences","2015","60","","123","127","10.3190/jgeosci.190","","x-ray","0.7107","MoKα","","0.0476","0.0385","","","0.0818","0.0865","","","","1.3","1.3","1.23","","","","has coordinates","272427","2022-02-02","10:37:28",""
"1566265","8.7122","0.0006","13.8368","0.0004","7.0465","0.00017","90","","112.126","0.008","90","","786.89","0.08","","","293","2","","","","","","","Blue Lizard mine, Utah","5","P 1 21/c 1","-P 2ybc","14","","","plasilite","- H4 Na O9 S U -","- H5 Na O9 S U -","- H20 Na4 O36 S4 U4 -","4","1","","Anthony R. Kampf; Anatoly V. Kasatkin; Jiri Cejka; Joe Marty","Plasilite, Na(UO2)(SO4)(OH) . 2H2O, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA","Journal of GeoSciences","2015","60","","1","10","10.3190/jgeosci.184","","","0.71075","MoKα","","0.0231","0.0194","","","0.0446","0.0462","","","","","","1.081","","","","has coordinates","272428","2022-02-02","10:52:54",""
"2019744","19.392","0.004","7.5431","0.0015","22.754","0.005","90","","90","","90","","3328.4","1.2","294","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-\ 4-yl]diazenyl}phenyl)ethanone","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.0698","0.0409","","","0.0971","0.1051","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019745","14.076","0.005","30.549","0.012","7.539","0.003","90","","90","","90","","3242","2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(<i>E</i>)-1-(4-Chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","","- C17 H14 Cl N5 O2 -","- C17 H14 Cl N5 O2 -","- C136 H112 Cl8 N40 O16 -","8","1","YF3075","Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo","On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614024619","","","0.71073","MoKα","","0.065","0.0382","","","0.086","0.093","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019746","5.3065","0.0008","8.446","0.0014","12.1459","0.0019","91.81","0.013","92.977","0.013","94.585","0.013","541.54","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone dimethyl sulfoxide monosolvate","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C18 H24 N4 O6 S2 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.094","0.0776","","","0.2173","0.2319","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019747","7.1268","0.0014","7.5481","0.0013","12.774","0.002","89.486","0.013","75.62","0.014","65.679","0.013","603.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-Cyano-6-hydroxy-4-methyl-2-pyridone <i>N</i>,<i>N</i>-dimethylacetamide monosolvate","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C22 H30 N6 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0837","0.0499","","","0.1109","0.1229","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019748","7.1928","0.0006","8.1316","0.0007","13.6009","0.0011","93.219","0.007","99.114","0.007","108.395","0.006","740.53","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-dimethylamino-6-methylpyrimidin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate","","- C14 H18 N6 O2 -","- C14 H18 N6 O2 -","- C28 H36 N12 O4 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.046","0.0361","","","0.0961","0.1004","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019749","7.659","0.0006","10.2703","0.0008","13.9231","0.0011","105.134","0.006","104.921","0.006","98.267","0.006","995.08","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-dimethylamino-1,3,5-triazin-1-ium 5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-olate‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C16 H25 N9 O3 -","- C16 H25 N9 O3 -","- C32 H50 N18 O6 -","2","1","UK3106","Gerhardt, Valeska; Bolte, Michael","3-Cyano-6-hydroxy-4-methyl-2-pyridone: two new pseudopolymorphs and two cocrystals with products of anin situnucleophilic aromatic substitution","Acta Crystallographica Section C Structural Chemistry","2015","71","1","","","10.1107/S2053229614025819","","","0.71073","MoKα","","0.0502","0.044","","","0.1217","0.126","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019750","4.1389","0.0004","4.1389","0.0004","7.1055","0.0011","90","","90","","90","","121.72","0.03","293","2","293","2","","","","","","","","3","P -4 m 2","P -4 -2","115","","dilithium diboron carbide","","- C B2 Li2 -","- C B2 Li2 -","- C2 B4 Li4 -","2","0.25","FN3184","Pavlyuk, Volodymyr; Milashys, Viktoriya; Dmytriv, Grygoriy; Ehrenberg, Helmut","A new tetragonal structure type for Li~2~B~2~C","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025510","","","0.71073","MoKα","","0.0236","0.0172","","","0.0466","0.057","","","","","","1.444","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019751","15.1034","0.0011","23.9203","0.0017","9.5545","0.0007","90","","111.666","0.005","90","","3208","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)naphthalene-1,4-dicarboxamide-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~4~-phthalato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2'^)copper(II)]","","- C38 H24 Cu2 N4 O10 -","- C38 H24 Cu2 N4 O10 -","- C152 H96 Cu8 N16 O40 -","4","0.5","WQ3081","Lin, Rong-Guang; Wang, Yu-Lin; Liang, Qian","Structure and magnetic properties of a mixed-ligand copper(II) complex","Acta Crystallographica Section C","2015","71","1","","","10.1107/S205322961402556X","","","0.71073","MoKα","","0.0476","0.0359","","","0.0826","0.0882","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019752","12.7421","0.0011","16.6345","0.0014","20.278","0.003","90","","90","","90","","4298.1","0.8","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate","","- C22 H20 B F6 Fe N2 P -","- C22 H20 B F6 Fe N2 P -","- C176 H160 B8 F48 Fe8 N16 P8 -","8","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0592","0.0349","","","0.0762","0.086","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019753","7.2461","0.0013","8.849","0.002","17.9","0.003","96.99","0.02","98.218","0.018","98.624","0.017","1111.1","0.4","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridyl)(<i>tert</i>-butylamino)(ferrocenyl)boronium bromide","","- C24 H27 B Br Fe N3 -","- C24 H27 B Br Fe N3 -","- C48 H54 B2 Br2 Fe2 N6 -","2","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0714","0.043","","","0.0897","0.0988","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019754","13.0348","0.0018","23.772","0.002","17.7107","0.0015","90","","92.499","0.009","90","","5482.7","1","146","2","146","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridyl)(ferrocenyl)(4-methoxyphenylamino)boronium hexafluoridophosphate acetonitrile hemisolvate","","- C28 H26.5 B F6 Fe N3.5 O P -","- C28 H26.5 B F6 Fe N3.5 O P -","- C224 H212 B8 F48 Fe8 N28 O8 P8 -","8","2","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0722","0.0424","","","0.0828","0.0936","","","","","","1.018","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019755","9.881","0.003","8.5193","0.0017","20.81","0.004","90","","91.19","0.02","90","","1751.4","0.7","146","2","146","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1,1'-Bis[(2,2'-bipyridyl)(cyanomethyl)boronium]ferrocene bis(hexafluoridophosphate)","","- C34 H28 B2 F12 Fe N6 P2 -","- C34 H28 B2 F12 Fe N6 P2 -","- C68 H56 B4 F24 Fe2 N12 P4 -","2","0.5","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0746","0.0383","","","0.0702","0.0814","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019756","7.0133","0.0005","17.8399","0.0013","25.0044","0.0018","90","","90","","90","","3128.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)","","- C16 H22 Br0.34 Cl0.66 N O3 -","- C16 H22 Br0.3432 Cl0.6568 N O3 -","- C128 H176 Br2.7456 Cl5.2544 N8 O24 -","8","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0277","0.0246","","","0.0641","0.0662","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019757","7.128","0.0001","21.3335","0.0005","10.5243","0.0002","90","","95.118","0.001","90","","1594","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0433","0.042","","","0.1327","0.1338","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019758","10.5046","0.0004","11.1534","0.0004","17.5193","0.0006","90","","90","","90","","2052.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one tetrachloridoaurate","","- C16 H22 Au Cl4 N O3 -","- C16 H22 Au Cl4 N O3 -","- C64 H88 Au4 Cl16 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0403","0.0393","","","0.0953","0.0959","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019759","10.6159","0.0004","7.106","0.0003","17.6348","0.0006","90","","105.331","0.0018","90","","1282.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{1-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)carbonyl]ethyl}ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.041","0.0386","","","0.1047","0.1068","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019760","15.8084","0.0003","11.4143","0.0002","11.6289","0.0002","90","","107.42","0.0009","90","","2002.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hydroxonium 1-(benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one dichloride","","- C16 H29 Cl2 N O6 -","- C16 H29 Cl2 N O6 -","- C64 H116 Cl8 N4 O24 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0504","0.0484","","","0.1491","0.1512","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019761","7.6971","0.0011","12.4656","0.0018","15.915","0.002","90","","102.171","0.002","90","","1492.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II)","","- C12 H12 Cl4 Co N2 -","- C12 H12 Cl4 Co N2 -","- C48 H48 Cl16 Co4 N8 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0224","0.022","","","0.049","0.0491","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019762","7.7074","0.0007","12.468","0.0011","15.9344","0.0014","90","","102.173","0.001","90","","1496.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II)","","- C12 H12 Cl4 N2 Zn -","- C12 H12 Cl4 N2 Zn -","- C48 H48 Cl16 N8 Zn4 -","4","1","WQ3078","Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana","Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025650","","","0.71073","MoKα","","0.0274","0.026","","","0.0629","0.0637","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019763","11.0094","0.0004","12.7915","0.0005","14.5418","0.0005","85.567","0.002","83.815","0.002","69.15","0.002","1900.96","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (4<i>RS</i>)-4-(4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","2","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0516","0.0397","","","0.1083","0.1178","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019764","18.1455","0.0006","7.3171","0.0002","25.0493","0.0008","90","","102.008","0.001","90","","3253.08","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate 0.105-hydrate","","- C15 H18.21 N2 O3.105 S -","- C15 H18.21 N2 O3.105 S -","- C120 H145.68 N16 O24.84 S8 -","8","1","SK3572","Sarojini, Balladka K.; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4<i>RS</i>)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026758","","","0.71073","MoKα","","0.0431","0.0358","","","0.0958","0.1014","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019765","12.238","0.002","17.073","0.003","12.782","0.003","90","","90.95","0.03","90","","2670.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","","- C26 H20 Cd N9 P -","- C26 H20 Cd N9 P -","- C104 H80 Cd4 N36 P4 -","4","1","SK3571","Li, Qiang","A three-dimensional anionic metal‒dicyanamide network in poly[ethyltriphenylphosphonium [tri-μ~2~-dicyanamidato-cadmium(II)]]","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027090","","","0.71073","MoKα","","0.0398","0.0324","","","0.0775","0.0818","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019766","13.4478","0.0002","7.9458","0.0001","19.7535","0.0003","90","","90","","90","","2110.73","0.05","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenylindolin-2-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.046","0.0416","","","0.1161","0.1214","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019767","3.9581","0.0001","21.574","0.0007","13.2045","0.0004","90","","95.287","0.002","90","","1122.76","0.06","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1-phenylindolin-2-one","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C56 H40 Br4 N4 O4 -","4","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.04","0.0282","","","0.0629","0.067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019768","8.1164","0.0003","13.3844","0.0005","22.7824","0.0008","90","","90","","90","","2474.92","0.16","90","2","90","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","5-Iodo-1-phenylindolin-2-one","","- C14 H10 I N O -","- C14 H10 I N O -","- C112 H80 I8 N8 O8 -","8","","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.039","0.0297","","","0.0678","0.0719","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019769","10.1924","0.0003","10.8732","0.0003","16.9675","0.0006","97.926","0.002","93.711","0.002","107.729","0.002","1762.6","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","chalcone","(<i>E</i>)-1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","SU5021","Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","1","1","","10.1107/S2056989014025110","","","0.71073","MoKα","","0.1325","0.062","","","0.1671","0.2129","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019770","13.938","0.005","7.941","0.003","5.056","0.0017","90","","90.817","0.004","90","","559.5","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","taikanite-type","Tricalcium zinc germanium dioxide dodecaoxidotetragermanate","","- Ca3 Ge5 O14 Zn -","- Ca3 Ge5 O14 Zn -","- Ca6 Ge10 O28 Zn2 -","2","0.5","FP3002","Redhammer, Günther J.","Ca~3~ZnGeO~2~[Ge~4~O~12~]: a Ca‒Zn germanate related to the mineral taikanite","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027466","","","0.71073","MoKα","","0.0301","0.0297","","","","0.076","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019771","8.774","0.002","17.046","0.003","14.168","0.003","90","","102.04","0.03","90","","2072.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethoprim‒glutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒piperidine-2,6-dione (1/1)","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0552","0.0411","","","0.0995","0.1044","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019772","7.361","0.002","12.032","0.002","14.132","0.003","109.59","0.03","92.48","0.03","99.14","0.03","1157.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim‒3,3-dimethylglutarimide (1/1)","5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine‒4,4-dimethylpiperidine-2,6-dione (1/1)","","- C21 H29 N5 O5 -","- C21 H29 N5 O5 -","- C42 H58 N10 O10 -","2","1","SK3574","Ton, Quoc Cuong; Egert, Ernst","Cocrystals of the antibiotic trimethoprim with glutarimide and 3,3-dimethylglutarimide held together by three hydrogen bonds","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614027193","","","0.71073","MoKα","","0.0495","0.0375","","","0.1018","0.1064","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019773","5.9506","0.0002","8.1608","0.0003","27.0175","0.001","90","","90.379","0.005","90","","1311.99","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridinium 3-hydroxy-2,4,6-trinitrophenolate","","- C11 H8 N4 O8 -","- C11 H8 N4 O8 -","- C44 H32 N16 O32 -","4","1","SU5046","Muthulakshmi, Selvarasu; Kalaivani, Doraisamyraja","Crystal structure and thermal behaviour of pyridinium styphnate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","117","","10.1107/S2056989014027704","","","0.71073","MoKα","","0.0767","0.0593","","","0.1768","0.1979","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019774","26.173","0.003","6.3586","0.0007","8.1089","0.0008","90","","90","","90","","1349.5","0.3","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-\ κ^2^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V)","","- C12 H10 N3 O7 V -","- C12 H10 N3 O7 V -","- C48 H40 N12 O28 V4 -","4","0.5","WQ3079","Hejrani-Dalir, Ali; Tabatabaee, Masumeh; Sheibani, Ali","Synthesis and crystal structure of 2-amino-3-hydroxypyridinium dioxido(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)vanadate(V) and its conversion to nanostructured V~2~O~5~","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027983","","","0.71073","MoKα","","0.0374","0.0347","","","0.082","0.0832","","","","","","1.178","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019775","9.002","0.002","16.553","0.004","7.8865","0.0018","90","","90.212","0.004","90","","1175.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~4~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-3-yl]butanedioato}zinc(II)]","","- C12 H9 N3 O4 Zn -","- C12 H9 N3 O4 Zn -","- C48 H36 N12 O16 Zn4 -","4","1","YO3002","Cai, Hua; Guo, Ying; Li, Jian-Gang","A two-dimensional zinc(II) coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028198","","","0.71073","MoKα","","0.0698","0.0423","","","0.0826","0.092","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019776","9.1376","0.0008","12.1229","0.0011","13.4135","0.0012","86.649","0.002","87.233","0.002","70.502","0.001","1397.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] dihydrate]","","- C26 H20 Bi Cu N5 O14 -","- C26 H20 Bi Cu N5 O14 -","- C52 H40 Bi2 Cu2 N10 O28 -","2","1","UK3108","Yue, Zi-Long; Feng, Yu-Quan; Ng, Seik Weng","A linear heterometallic bismuth‒copper coordination polymer containing two types of organic ligands","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028125","","","0.71073","MoKα","","0.0661","0.0472","","","0.11","0.1194","","","","","","1.01","","","","has coordinates,has Fobs","211403","2020-10-21","18:00:00",""
"2019777","7.4519","0.0001","7.4519","0.0001","31.8705","0.0007","90","","90","","120","","1532.69","0.04","173","2","173","2","","","","","","","","4","P 61","P 61","169","","4-Amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C66 H78 N18 O6 -","6","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.033","","","","0.0832","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019778","11.2061","0.0014","7.4638","0.0008","19.044","0.002","90","","106.655","0.004","90","","1526","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Methyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0393","","","","0.1084","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019779","13.427","0.002","10.1086","0.0014","12.2801","0.0018","90","","101.69","0.005","90","","1632.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]but-2-enoate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0397","","","","0.1145","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019780","7.3857","0.0002","9.2159","0.0003","13.7494","0.0004","85.898","0.001","84.499","0.001","85.21","0.001","926.4","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]cyclohex-1-enecarboxylate","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C40 H50 N6 O6 -","2","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.039","","","","0.1067","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019781","8.4851","0.0007","12.4253","0.001","18.0314","0.0018","90","","92.282","0.003","90","","1899.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Ethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]-3-phenylacrylate","","- C22 H23 N3 O3 -","- C22 H23 N3 O3 -","- C88 H92 N12 O12 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0374","","","","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019782","6.9996","0.0008","12.335","0.0016","15.8345","0.0019","90","","99.666","0.004","90","","1347.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0359","","","","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019783","32.7563","0.001","6.9258","0.0002","16.4002","0.0005","90","","106.032","0.001","90","","3575.9","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)amino]methyl}benzoate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C160 H152 N24 O24 -","8","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.0402","","","","0.1103","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019784","8.0015","0.0016","9.5135","0.0019","9.846","0.002","96.9","0.03","98.16","0.03","96.51","0.03","730","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis(trichlorido{1-[(1<i>H</i>-tetrazol-5-yl-κ<i>N</i>^2^)methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II))","","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","- C16 H32 Cd2 Cl8 N12 -","1","0.5","LF3001","Li, Qiang; Wang, Hui-Ting; Zhou, Lin","A new three-dimensional Cd^II^ supramolecular framework constructed from the 1-[(1<i>H</i>-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028009","","","0.71073","MoKα","","0.0319","0.0279","","","0.0843","0.0863","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019785","14.2226","0.0012","19.0094","0.0018","7.5203","0.0005","90","","94.727","0.007","90","","2026.3","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,3,5-Triiodo-2,4,6-trifluorobenzene‒pyridine <i>N</i>-oxide‒water (1/2/1)","","- C16 H12 F3 I3 N2 O3 -","- C16 H12 F3 I3 N2 O3 -","- C64 H48 F12 I12 N8 O12 -","4","0.5","SK3575","Raffo, Pablo A.; Cukiernik, Fabio D.; Baggio, Ricardo F.","The three-component cocrystal 1,3,5-trifluoro-2,4,6-triiodobenzene‒pyridineN-oxide‒water (1/2/1) built up by halogen bonds, hydrogen bonds and π‒π interactions","Acta Crystallographica Section C Structural Chemistry","2015","71","2","","","10.1107/S205322961402796X","","","0.71069","MoKα","","0.05","0.0354","","","0.0825","0.0962","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019786","14.1037","0.0007","7.4955","0.0004","14.5827","0.0008","90","","107.053","0.002","90","","1473.82","0.14","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichlorido{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}manganese(II)","","- C12 H11 Cl2 Mn N5 O -","- C12 H11 Cl2 Mn N5 O -","- C48 H44 Cl8 Mn4 N20 O4 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0305","0.0277","","","0.0652","0.0669","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019787","12.379","0.0007","19.2445","0.0013","9.8987","0.0006","90","","90","","90","","2358.1","0.3","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>]manganese(II)","","- C24 H20 Mn N10 O2 -","- C24 H20 Mn N10 O2 -","- C96 H80 Mn4 N40 O8 -","4","","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0713","0.041","","","0.0826","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019788","10.4215","0.0004","10.5323","0.0004","22.2477","0.001","90","","90","","90","","2441.96","0.17","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>'){μ~3~-<i>N</i>'-[1-(pyrazin-2-yl-κ^2^<i>N</i>^1^:<i>N</i>^4^)ethylidene]nicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^}cadmium(II)] chloroform disolvate]","","- C16 H15 Cd Cl6 N5 O3 -","- C16 H15 Cd Cl6 N5 O3 -","- C64 H60 Cd4 Cl24 N20 O12 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0239","0.0221","","","0.0524","0.0534","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019789","14.427","0.0003","15.635","0.0003","6.442","0.0001","90","","115.789","0.002","90","","1308.37","0.05","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^-[diaquamanganese(II)]-bis(μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^)],","","- C24 H22 Mn2 N4 O12 -","- C24 H22 Mn2 N4 O12 -","- C48 H44 Mn4 N8 O24 -","2","0.25","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","0.71073","MoKα","","0.0246","0.0235","","","0.0647","0.0655","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019790","6.7148","0.0002","10.79","0.0003","11.762","0.0005","69.565","0.003","75.167","0.003","81.404","0.003","770.25","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquacopper(II)]-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-copper(II)-μ-aqua-μ-hydroxido-μ-terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^1'^-[aquacopper(II)]-μ-2,2'-bipyrimidine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^] tetrahydrate]","","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","- C24 H32 Cu3 N4 O18 -","1","0.5","SK3573","Poleti, Dejan; Rogan, Jelena; Rodić, Marko V.; Radovanović, Lidija","Mixed-ligand Mn^II^ and Cu^II^ complexes with alternating 2,2'-bipyrimidine and terephthalate bridges","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614028113","","","1.54178","CuKα","","0.0314","0.0302","","","0.0854","0.0864","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019791","12.4549","0.0003","15.5837","0.0004","21.1975","0.0005","90","","94.5206","0.0011","90","","4101.5","0.17","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)(2-{[3,5-bis(4-methoxyphenyl)-2<i>H</i>-\ pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-\ 3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-\ κ<i>N</i>^1^)tricarbonylrhenium(I)‒hexane‒acetonitrile (2/1/2)","","- C46 H43 N5 O7 Re -","- C46 H43 N5 O7 Re -","- C184 H172 N20 O28 Re4 -","4","1","OV3057","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0426","0.0399","","","0.1031","0.1058","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019792","10.7054","0.0004","10.933","0.0004","16.7416","0.0007","78.195","0.002","81.029","0.002","75.883","0.002","1848.46","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-(2-{[3,5-Bis(4-methoxyphenyl)-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>^1^]amino}-3,5-bis(4-methoxyphenyl)-1<i>H</i>-pyrrol-1-ido-κ<i>N</i>^1^)tricarbonyl(dimethyl sulfoxide-κ<i>O</i>)rhenium(I),","","- C41 H36 N3 O8 Re S -","- C41 H36 N3 O8 Re S -","- C82 H72 N6 O16 Re2 S2 -","2","1","","Cibian, Mihaela; Bessette, André; O'Connor, Andrew; Ferreira, Janaina G.; Hanan, Garry S.","Two <i>fac</i>-tricarbonylrhenium(I) azadipyrromethene (ADPM) complexes: ligand-substitution effect on crystal structure","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027673","","","1.54178","CuKα","","0.0318","0.0316","","","0.0883","0.0885","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019793","9.4272","0.0002","7.0774","0.0002","18.2519","0.0004","90","","90","","90","","1217.77","0.05","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0277","0.0274","","0.0801","0.0787","0.0801","","","","","","1.0067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019794","9.1478","0.0003","6.9826","0.0003","17.6799","0.0004","90","","90","","90","","1129.31","0.07","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0371","0.0352","","0.081","0.0797","0.081","","","","","","1.0429","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019795","8.8661","0.0005","6.9379","0.0004","17.12","0.003","90","","90","","90","","1053.1","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.033","0.0308","","0.0708","0.07","0.0708","","","","","","1.0252","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019796","8.4895","0.0002","6.8759","0.0002","16.6225","0.0014","90","","90","","90","","970.3","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0294","0.0269","","0.0623","0.0613","0.0623","","","","","","0.9648","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019797","8.4043","0.0002","6.8578","0.0002","16.5271","0.0012","90","","90","","90","","952.54","0.08","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0241","0.0216","","0.0546","0.0534","0.0546","","","","","","1.0195","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019798","8.3242","0.0004","6.8403","0.0003","16.447","0.002","90","","90","","90","","936.49","0.13","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0294","0.0255","","0.0583","0.0573","0.0583","","","","","","1.0191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019799","8.3325","0.0008","6.814","0.002","16.4416","0.0016","90","","90","","90","","933.5","0.3","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.","The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","","","10.1107/S2052520614026389","","","0.71073","MoKα","","0.0474","0.0426","","0.1062","0.1045","0.1062","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019800","9.295","0.003","13.713","0.005","11.81","0.004","90","","101.638","0.005","90","","1474.4","0.9","100","2","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 2-octynoate","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.1562","0.0604","","","0.1241","0.1583","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019801","11.9391","0.0011","11.3093","0.001","11.7865","0.0011","90","","118.531","0.002","90","","1398.2","0.2","100.1","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-1<i>H</i>-benzimidazolium 3-phenylpropynoate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","EG3173","Arderne, Charmaine; Olivier, Denise K.; Ndinteh, Derek T.","Charge-assisted hydrogen bonding in salts of 2-amino-1<i>H</i>-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615001047","","","0.71073","MoKα","","0.0465","0.0363","","","0.0872","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019802","13.87","0.003","19.023","0.004","19.238","0.004","90","","90","","90","","5075.9","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","","- C24 H15 N2 O10 Zn2 -","- C24 H13 N2 O10 Zn2 -","- C192 H104 N16 O80 Zn16 -","8","1","FA3357","Wen, Meng; Xiao, Zu-Ping; Wang, Chun-Ya; Huang, Xi-He","A three-dimensional coordination polymer based on the Zn~4~(μ~3~-OH)~2~ unit: poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000467","","","0.71073","MoKα","","0.064","0.0595","","","0.1092","0.1112","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019803","15.104","0.001","15.1212","0.001","9.2948","0.0006","90","","90","","90","","2122.8","0.2","294","2","294","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Cytosine","4-Aminopyrimidin-2(1<i>H</i>)-one","","- C4 H5 N3 O -","- C4 H5 N3 O -","- C64 H80 N48 O16 -","16","2","CU3072","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","The first polymorph in the family of nucleobases: a second form of cytosine","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000492","","","0.71073","MoKα","","0.056","0.0515","","","0.1328","0.1362","","","","","","1.203","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019804","7.8705","0.0004","4.9984","0.0003","30.9367","0.0017","90","","90.343","0.005","90","","1217.03","0.12","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (2,4-dichlorophenoxy)acetate trihydrate","Poly[[aqua[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^3^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:]lithium(I)] dihydrate]","","- C8 H11 Cl2 Li O6 -","- C8 H11 Cl2 Li O6 -","- C32 H44 Cl8 Li4 O24 -","4","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0383","0.0325","","","0.0723","0.0754","","","","","","1.071","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2019805","37.254","0.002","4.3589","0.0003","13.2378","0.001","90","","103.231","0.007","90","","2092.6","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","rubidium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>Cl</i>]dirubidium(I)]","","- C8 H6 Cl2 O3.5 Rb -","- C8 H6 Cl2 O3.5 Rb -","- C64 H48 Cl16 O28 Rb8 -","8","1","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0331","0.0274","","","0.0618","0.0646","","","","","","1.086","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2019806","8.9877","0.0004","7.3441","0.0002","32.825","0.0013","90","","90","","90","","2166.67","0.14","200","1","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","caesium (2,4-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2^:<i>Cl</i>]-dicaesium(I)]","","- C8 H6 Cl2 Cs O3.5 -","- C8 H6 Cl2 Cs O3.5 -","- C64 H48 Cl16 Cs8 O28 -","8","2","KY3071","Smith, Graham","Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)","Acta Crystallographica Section C","2015","71","2","","","10.1107/S205322961500056X","","","0.71073","MoKα","","0.0326","0.0293","","","0.0571","0.0586","","","","","","1.14","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019807","8.9129","0.0004","13.9987","0.0007","32.2568","0.0016","90","","90","","90","","4024.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C23H19CuN3O3","(Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate","","- C23 H19 Cu N3 O3 -","- C23 H19 Cu N3 O3 -","- C184 H152 Cu8 N24 O24 -","8","1","JJ2192","Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn","Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m38","","10.1107/S2056989015001279","","","0.71073","MoKα","","0.0774","0.0377","","","0.0797","0.0925","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019808","8.7146","0.0003","12.3963","0.0004","16.6117","0.0006","90","","101.523","0.002","90","","1758.37","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Shreevidhyaa Suressh, V.; Prathebha, K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G.","Crystal structure of 2-chloro-1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o135","","10.1107/S205698901500122X","","","0.71073","MoKα","","0.072","0.0503","","","0.1971","0.2363","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019809","11.035","0.007","9.073","0.006","12.859","0.008","90","","91.69","0.02","90","","1286.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(1-Methyl-5-nitro-1<i>H</i>-imidazol-2-yl)methyl]pyridinium iodide","","- C10 H11 I N4 O2 -","- C10 H11 I N4 O2 -","- C40 H44 I4 N16 O8 -","4","1","HG5425","Belguedj, Roumaissa; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane","Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]pyridinium iodide","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o133","","10.1107/S2056989015001541","","","0.71073","MoKα","","0.0764","0.0292","","","0.0561","0.0666","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019810","6.4237","0.0008","8.8412","0.0011","11.7799","0.0015","88.606","0.006","76.588","0.006","70.193","0.005","611.19","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}benzene-1,2-diol","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","HB7353","Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem","Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o137","","10.1107/S2056989015001401","","","0.71073","MoKα","","0.0791","0.0524","","","0.1372","0.1637","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019811","10.0605","0.0003","12.7027","0.0004","23.1455","0.0006","90","","94.107","0.003","90","","2950.3","0.15","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butyl-2-{2-[<i>N</i>-(3,3-dimethyl-2-oxobutyl)-<i>N</i>-isopropylcarbamoyl]phenyl}-1-isopropyl-1<i>H</i>-imidazol-3-ium perchlorate","","- C26 H40 Cl N3 O6 -","- C26 H40 Cl N3 O6 -","- C104 H160 Cl4 N12 O24 -","4","1","LH5748","Hordiyenko, Olga V.; Zubatyuk, Roman I.","Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","223","","10.1107/S2056989015001486","","","0.71073","MoKα","","0.0805","0.0596","","","0.1627","0.1788","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019812","26.2042","0.0009","15.312","0.0005","16.793","0.0005","90","","90","","90","","6738","0.4","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II) dichloride chloroform pentasolvate","","- C59 H57 Cl17 P4 Pt -","- C59 H57 Cl17 P4 Pt -","- C236 H228 Cl68 P16 Pt4 -","4","0.5","GG2144","Anderson, Bradley G.; Hoyte, Sarah A.; Spencer, John L.","Crystal structure of bis[1,3-bis(diphenylphosphanyl)propane-κ2P,P′]platinum(II) dichloride chloroform pentasolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m37","","10.1107/S205698901500136X","","","0.71073","MoKα","","0.0602","0.0373","","","0.0661","0.0728","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019813","18.324","0.0002","7.166","0.0001","19.508","0.0002","90","","109.341","0.004","90","","2417.03","0.08","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ-<i>N</i>,<i>N</i>'-Dibenzyldithiooxamidato-κ<i>N</i>,<i>S</i>:<i>N</i>',<i>S</i>')bis[(η^3^-crotyl)palladium(II)]","","- C24 H28 N2 Pd2 S2 -","- C24 H28 N2 Pd2 S2 -","- C96 H112 N8 Pd8 S8 -","4","0.5","ZS2324","Bruno, Giuseppe; Lanza, Santo; Giannetto, Antonino; Sacca, Alessandro; Amiri Rudbari, Hadi","Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)]","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m40","","10.1107/S2056989015001292","","","0.71073","MoKα","","0.0338","0.0314","","","","0.0846","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019814","5.3068","0.0003","26.711","0.0018","9.4679","0.0006","90","","117.431","0.003","90","","1191.18","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2-phenylchroman-4-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","LH5747","Belguedj, Roumaissa; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Bouraiou, Abdelmalek","Crystal structure of (2S/2R,3S/3R)-3-hydroxy-2-phenylchroman-4-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o131","","10.1107/S2056989015001346","","","0.71073","MoKα","","0.0921","0.0575","","","0.1319","0.1482","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019815","15.0519","0.0006","15.1758","0.0005","17.9186","0.0008","90","","107.886","0.002","90","","3895.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate","","- C38 H38 Ag N5 O3 P2 S2 -","- C38 H38 Ag N5 O3 P2 S2 -","- C152 H152 Ag4 N20 O12 P8 S8 -","4","1","HB7352","Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed","Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","220","","10.1107/S2056989015001395","","","0.71073","MoKα","","0.1395","0.0507","","","0.0663","0.0881","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019816","7.3171","0.0013","9.8692","0.0018","10.2416","0.0018","68.401","0.003","84.964","0.003","70.617","0.003","648.2","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","","- C13 H10 Cu N4 O3 -","- C13 H10 Cu N4 O3 -","- C26 H20 Cu2 N8 O6 -","2","1","LG3154","Wang, Jiang-Yun","Structural and spectropscopic studies of a three-dimensional hydrogen-bonded copper(II) complex: aqua[bis(pyridin-2-ylcarbonyl)amidato]cyanidocopper(II)","Acta Crystallographica Section C Structural Chemistry","2015","71","2","165","","10.1107/S2053229615001692","","","0.71073","MoKα","","0.0411","0.032","","","0.0762","0.0811","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019817","6.2897","0.0001","17.0161","0.0003","15.3522","0.0003","90","","90","","90","","1643.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isocyano-4-methylphenyl diphenylacetate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","CU3073","Boyarskaya, Dina; Avdontceva, Margarita; Chulkova, Tatiana","Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide","Acta Crystallographica Section C Structural Chemistry","2015","71","2","155","","10.1107/S2053229615001588","","","1.54184","CuKα","","0.0485","0.0466","","","0.1143","0.1157","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019818","13.4605","0.00018","14.6661","0.0002","16.2419","0.00019","90","","91.917","0.0011","90","","3204.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyltriphenylphosphonium bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobaltate(1-)","","- C31 H22 Cl4 Co P S4 -","- C31 H22 Cl4 Co P S4 -","- C124 H88 Cl16 Co4 P4 S16 -","4","1","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.0766","0.0409","","","0.083","0.0956","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019819","13.94737","0.00014","11.53304","0.00011","16.4799","0.00017","90","","90.6983","0.0009","90","","2650.69","0.05","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(methyltriphenylphosphonium) bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(2-) dimethyl sulfoxide disolvate","","- C54 H52 Cl4 Cu O2 P2 S6 -","- C54 H52 Cl4 Cu O2 P2 S6 -","- C108 H104 Cl8 Cu2 O4 P4 S12 -","2","0.5","KU3148","Herich, Peter; Fronc, Marek; Kožíšek, Jozef","New isostructural transition metal complexes with a non-innocent dithiolate ligand","Acta Crystallographica Section C Structural Chemistry","2015","71","2","159","","10.1107/S2053229615001436","","","0.71073","MoKα","","0.1146","0.051","","","0.0998","0.1193","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019820","8.344","0.002","9.859","0.002","11.273","0.003","90","","91.493","0.004","90","","927","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^)copper(II)]","","- C16 H18 Cu N4 O8 -","- C16 H18 Cu N4 O8 -","- C32 H36 Cu2 N8 O16 -","2","0.5","LF3006","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Lian, Ping; Luo, Xu-Zhong","A two-dimensional copper(II) coordination polymer based on 2-propyl-1H-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C Structural Chemistry","2015","71","2","152","","10.1107/S2053229615000546","","","0.71073","MoKα","","0.0302","0.0277","","","0.0754","0.077","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019821","15.865","0.0012","9.0396","0.0003","14.8223","0.0018","90","","120.82","0.007","90","","1825.5","0.3","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium monohydrate","","- C9 H29 Cl3 O P3 Rh -","- C9 H29 Cl3 O P3 Rh -","- C36 H116 Cl12 O4 P12 Rh4 -","4","1","PK2543","Merola, Joseph S.; Franks, Marion A.","Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","226","","10.1107/S2056989015001516","","","0.71073","MoKα","","0.0233","0.023","","","0.0583","0.0585","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019822","16.0993","0.0016","15.591","0.0009","16.4152","0.0014","90","","115.084","0.013","90","","3731.7","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Trichloridotris(trimethylphosphane-κ<i>P</i>)rhodium methanol hemisolvate","","- C9.5 H29 Cl3 O0.5 P3 Rh -","- C9.5 H29 Cl3 O0.5 P3 Rh -","- C76 H232 Cl24 O4 P24 Rh8 -","8","2","","Merola, Joseph S.; Franks, Marion A.","Crystal structures offac-trichloridotris(trimethylphosphane-κP)rhodium(III) monohydrate andfac-trichloridotris(trimethylphosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","226","","10.1107/S2056989015001516","","","0.71073","MoKα","","0.0375","0.0286","","","0.0671","0.0709","","","","","","1.079","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019823","10.3522","0.0006","13.001","0.0008","21.9803","0.0014","99.823","0.002","99.061","0.002","102.677","0.002","2784.8","0.3","115","","115","","","","","","","","","8","P -1","-P 1","2","","Tricarbonyl(μ-diphenylphosphido-κ^2^<i>P</i>:<i>P</i>)(methyldiphenylsilyl-κ<i>Si</i>)bis(triphenylphosphane-κ<i>P</i>)iron(II)platinum(0)(<i>Fe</i>—<i>Pt</i>) dichloromethane hemisolvate","","- C64.5 H54 Cl Fe O3 P3 Pt Si -","- C64.5 H54 Cl Fe O3 P3 Pt Si -","- C129 H108 Cl2 Fe2 O6 P6 Pt2 Si2 -","2","1","GK2624","Mohamed, Ahmed Said; Jourdain, Isabelle; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of tricarbonyl(μ-diphenylphosphido-κ2P:P)(methyldiphenylsilyl-κSi)bis(triphenylphosphane-κP)iron(II)platinum(0)(Fe—Pt)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","241","","10.1107/S2056989015001565","","","0.71073","MoKα","","0.037","0.0271","","","0.0595","0.0626","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019824","28.0866","0.001","9.0052","0.0003","7.4023","0.0002","90","","90","","90","","1872.23","0.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Amino-5-nitropyridinium sulfamate","","- C5 H8 N4 O5 S -","- C5 H8 N4 O5 S -","- C40 H64 N32 O40 S8 -","8","1","SU5048","Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand","Crystal structure of 2-amino-5-nitropyridinium sulfamate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","231","","10.1107/S2056989015000365","","","0.71073","MoKα","","0.0582","0.0552","","","0.1089","0.1108","","","","","","1.284","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019825","10.5568","0.0014","4.0728","0.0006","19.257","0.003","90","","95.28","0.003","90","","824.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-methoxy(pyridin-2-yl)methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]bis[chloridocopper(II)]","","- C14 H16 Cl2 Cu2 N2 O4 -","- C14 H16 Cl2 Cu2 N2 O4 -","- C28 H32 Cl4 Cu4 N4 O8 -","2","0.5","CQ2013","Boonlue, Sujirat; Sirikulkajorn, Anchalee; Chainok, Kittipong","Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)]","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m44","","10.1107/S2056989015001310","","","0.71073","MoKα","","0.0838","0.0454","","","0.0962","0.1076","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019826","7.9947","0.0006","13.9384","0.0018","19.923","0.002","72.942","0.01","82.968","0.007","87.936","0.008","2106.5","0.4","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","(Acetone-κ<i>O</i>)tris(μ-ferrocene-1,1'-dicarbonitrile-κ^2^<i>N</i>:<i>N</i>')dicopper(I) bis(tetrafluoridoborate) acetone monosolvate","","- C42 H36 B2 Cu2 F8 Fe3 N6 O2 -","- C42 H36 B2 Cu2 F8 Fe3 N6 O2 -","- C84 H72 B4 Cu4 F16 Fe6 N12 O4 -","2","1","WM5104","Strehler, Frank; Korb, Marcus; Lang, Heinrich","Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η5-C5H4C[triple-bond]N)2}3](BF4)2·(CH3)2CO","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","244","","10.1107/S2056989015001760","","","1.54184","CuKα","","0.0441","0.0407","","","0.1044","0.1071","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019827","7.8655","0.0004","7.8655","0.0004","7.7938","0.0006","90","","90","","90","","482.17","0.05","293","2","293","2","","","","","","","Langban, Sweden","4","P 42/n :2","-P 4bc","86","Tetrawickmanite","Manganese(II) tin(IV) hexahydroxide]","Tetrawickmanite","- H6 Mn O6 Sn -","- H6 Mn O6 Sn -","- H24 Mn4 O24 Sn4 -","4","0.5","WM5112","Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.","Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","234","237","10.1107/S2056989015001632","","","0.71073","MoKα","","0.0516","0.0205","","","0.046","0.0557","","","","","","1.004","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:06",""
"2019828","4.98211","0.0001","12.5624","0.0003","11.8156","0.0003","90","","91.1262","0.0014","90","","739.36","0.03","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","β-<i>D,L</i>-Allose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ishii, Tomohiko; Senoo, Tatsuya; Kozakai, Taro; Fukada, Kazuhiro; Sakane, Genta","Crystal structure of β-D,L-allose","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o139","","10.1107/S2056989015000353","","","1.54187","CuKα","","","0.0374","","","","0.1015","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019829","9.6432","0.0005","10.796","0.001","16.1673","0.001","90.899","0.006","97.203","0.005","91.2","0.006","1669.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","Benzyl (<i>E</i>)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C68 H72 N8 O8 S8 -","4","2","SU5044","Tan, Yew-Fung; Break, Mohammed Khaled bin; Tahir, M. Ibrahim M.; Khoo, Teng-Jin","Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","238","","10.1107/S205698901500095X","","","1.5418","CuKα","","0.0437","0.0365","","0.1055","0.0985","0.1055","","","","","","0.9887","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019830","29.265","0.005","7.5671","0.0013","18.811","0.003","90","","99.271","0.007","90","","4111.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II)","","- C22 H17 Cl2 Hg N3 -","- C22 H17 Cl2 Hg N3 -","- C176 H136 Cl16 Hg8 N24 -","8","1","WM5117","Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.","Crystal structure of dichlorido{N1-phenyl-N4-[(quinolin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m46","","10.1107/S2056989015001620","","","0.71073","MoKα","","0.0885","0.0381","","","0.0739","0.0865","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019831","11.8412","0.0003","12.7764","0.0003","13.8298","0.0003","67.217","0.001","66.915","0.001","85.51","0.001","1767.88","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(cyanido-κ<i>C</i>)(29<i>H</i>,31<i>H</i>-tetrabenzo[<i>b</i>,<i>g</i>,<i>l</i>,<i>q</i>]porphinato-κ^4^<i>N</i>^29^,<i>N</i>^30^,<i>N</i>^31^,<i>N</i>^32^)ferrate(II) acetone disolvate","","- C92 H72 Fe N6 O2 P2 -","- C92 H72 Fe N6 O2 P2 -","- C92 H72 Fe N6 O2 P2 -","1","0.5","","Nishi, Miki; Matsuda, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Crystal structure of bis(tetraphenylphosphonium) bis(cyanido-κC)(29H,31H-tetrabenzo[b,g,l,q]porphinato-κ4N29,N30,N31,N32)ferrate(II) acetone disolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m48","","10.1107/S2056989015001735","","","1.54187","CuKα","","0.1009","0.0681","","","0.1676","0.1975","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019832","17.763","0.003","17.652","0.003","20.145","0.004","90","","110.57","0.004","90","","5913.8","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>}iron(III)","","- C64 H64 Cl Fe N8 O4 -","- C64 H64 Cl Fe N8 O4 -","- C256 H256 Cl4 Fe4 N32 O16 -","4","1","","Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.","Crystal structure of chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ4N}iron(III)","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m42","","10.1107/S205698901500153X","","","0.71073","MoKα","","0.1693","0.0923","","","0.2449","0.2798","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019833","11.92","0.002","6.7919","0.0013","12.144","0.003","90","","101.659","0.006","90","","962.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,4<i>R</i>,9<i>S</i>,11<i>S</i>,12<i>R</i>)-9α-Hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C19 H29 N O4 S -","- C19 H29 N O4 S -","- C38 H58 N2 O8 S2 -","2","1","HB7355","Benharref, Ahmed; Akssira, Mohamed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of (1S,2R,4R,9S,11S,12R)-9α-hydroxy-4,8-dimethyl-12-[(thiomorpholin-4-yl)methyl]-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o140","","10.1107/S205698901500170X","","","0.71073","MoKα","","0.0334","0.0314","","","0.0811","0.0829","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019834","7.2944","0.0005","7.1464","0.0005","9.2736","0.0007","90","","101.546","0.004","90","","473.64","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[silver(I)-μ-<i>L</i>-tyrosinato-κ^2^<i>O</i>:<i>N</i>]","","- C9 H10 Ag N O3 -","- C9 H10 Ag N O3 -","- C18 H20 Ag2 N2 O6 -","2","1","IM2459","Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed","Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m50","","10.1107/S2056989015001905","","","0.71073","MoKα","","0.0237","0.0222","","","0.0512","0.052","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019835","12.6068","0.0005","9.9798","0.0004","22.7581","0.0009","90","","100.174","0.002","90","","2818.25","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[trimethyltin(IV)]-μ-2-(2-nitrophenyl)acetato-κ^2^<i>O</i>:<i>O</i>']","","- C11 H15 N O4 Sn -","- C11 H15 N O4 Sn -","- C88 H120 N8 O32 Sn8 -","8","1","HB7359","Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad","Crystal structure ofcatena-poly[[trimethyltin(IV)]-μ-2-(2-nitrophenyl)acetato-κ2O:O′]","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m52","","10.1107/S205698901500198X","","","0.71073","MoKα","","0.0292","0.0246","","","0.0539","0.0569","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019836","7.518","0.0005","9.7274","0.0005","30.2035","0.0015","90","","90","","90","","2208.8","0.2","283","2","283","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3<i>S</i>)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","(3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>)-10,13-Dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","HB7357","Zhou, Shengjun; Huang, Huaqi; Huang, Rongbin","Crystal structure of (3S)-3-acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o146","","10.1107/S2056989015001966","","","0.71073","MoKα","","0.0789","0.0558","","","0.1162","0.1282","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019837","23.7049","0.0011","8.2632","0.0003","22.1003","0.0008","90","","102.337","0.002","90","","4229","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ethyl 1',1''-dimethyl-2'',3-dioxo-1'',2''-dihydro-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indole]-4'-carboxylate","Ethyl 1',1''-dimethyl-2'',3-dioxo-3<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","1","SU5065","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o142","","10.1107/S2056989015002042","","","0.71073","MoKα","","0.0472","0.0378","","","0.0979","0.105","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019838","16.5301","0.0013","6.0573","0.0004","17.0036","0.0012","90","","100.81","0.004","90","","1672.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[(Naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","GK2626","Danish, Muhammad; Tahir, Muhammad Nawaz; Hussain, Asif; Ashfaq, Muhammad; Sadiq, Muhammad Nadeem","Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o145","","10.1107/S2056989015002054","","","0.71073","MoKα","","0.0838","0.0454","","","0.1004","0.1173","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019839","6.5067","0.0002","9.7385","0.0002","21.078","0.0005","90","","97.154","0.001","90","","1325.22","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(4-Methylphenyl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>rac</i>-3-Hydroxy-2-(<i>p</i>-tolyl)-2,3,3a,4,7,7a-hexahydro-1<i>H</i>-4,7-methanoisoindol-1-one","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","SU5074","Aslantaş, Mehmet; Çelik, Cumali; Çelik, Ömer; Karayel, Arzu","Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o143","","10.1107/S2056989015001942","","","0.71073","MoKα","","0.0816","0.0626","","","0.1602","0.1795","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019840","20.25","0.0014","12.0868","0.0008","9.0389","0.0005","90","","90.337","0.001","90","","2212.3","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ^3^<i>O</i>,<i>N</i>,<i>S</i>)ferrate(III)","","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C16 H12 Br2 Cs Fe N6 O2 S2 -","- C64 H48 Br8 Cs4 Fe4 N24 O8 S8 -","4","1","KY3069","Powell, Robyn Elizabeth; Schwalbe, Carl H.; Tizzard, Graham J.; Koningsbruggen, Petra J. van","Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ3O,N,S)ferrate(III): supramolecular arrangement of low-spin FeIIIcomplex anions mediated by Cs+cations","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001928","","","0.71075","MoKα","","0.043","0.0326","","","0.0812","0.0859","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019841","8.4147","0.0003","9.1827","0.0003","15.2673","0.0005","87.174","0.003","89.87","0.003","83.631","0.003","1170.99","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(Pyridin-2-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-2-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0648","0.0451","","","0.101","0.1141","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019842","23.24","0.004","9.4869","0.0015","10.7258","0.0017","90","","105.82","0.002","90","","2275.2","0.6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","4-(Pyridin-3-yl)-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","<i>N</i>-(Pyridin-3-yl)-<i>exo</i>-norbornene-5,6-dicarboximide","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","KY3070","Vazquez-Vuelvas, Oscar F.; Hernández-Madrigal, Julia V.; Pineda-Contreras, Armando; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","Exoconformers ofN-(pyridin-2-yl)- andN-(pyridin-3-yl)norbornene-5,6-dicarboximide crystals","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615001886","","","0.71073","MoKα","","0.0709","0.0596","","","0.1339","0.1388","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019843","18.035","0.002","5.9874","0.0007","16.236","0.002","90","","105.133","0.003","90","","1692.4","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Acetophenone <i>O</i>-diphenylphosphoryl oxime","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","LF3007","Majer, Sean H.; Tanski, Joseph M.","Synthesis and crystal structure of a novel prochiral ketoimine: (E)-acetophenoneO-diphenylphosphoryl oxime","Acta Crystallographica Section C Structural Chemistry","2015","71","3","","","10.1107/S2053229615002351","","","1.54178","CuKα","","0.0343","0.0339","","","0.0909","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019844","13.0433","0.0006","12.27","0.0005","13.4981","0.0007","90","","114.269","0.002","90","","1969.34","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PPBD","<i>N</i>^1^-Phenyl-<i>N</i>^4^-[(<i>E</i>)-(pyren-1-yl)methylidene]benzene-1,4-diamine","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","1","SU5072","Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.","Crystal structure ofN1-phenyl-N4-[(E)-(pyren-1-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","261","","10.1107/S2056989015001814","","","0.71073","MoKα","","0.1123","0.0562","","","0.115","0.1357","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019845","7.133","0.0014","8.7013","0.0016","11.979","0.002","103.969","0.002","101.052","0.002","100.882","0.003","686.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaqua(μ~2~-triethylenetetraminehexaacetato)dizinc tetrahydrate","","- C18 H38 N4 O18 Zn2 -","- C18 H38 N4 O18 Zn2 -","- C18 H38 N4 O18 Zn2 -","1","0.5","HB7351","Liu, Huan; Lu, Li-Ping","Crystal structure of diaqua(μ2-triethylenetetraminehexaacetato)dizinc tetrahydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m55","","10.1107/S2056989015002108","","","0.71073","MoKα","","0.0389","0.0342","","","0.087","0.0888","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019846","16.311","0.005","11.103","0.005","23.585","0.005","90","0.005","98.354","0.005","90","0.005","4226","2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Ethyl 1',5-dimethyl-2'',3-dioxo-3<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","2","SU5064","Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o152","","10.1107/S2056989015001528","","","0.71073","MoKα","","0.1083","0.0542","","","0.1523","0.1822","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019847","13.0774","0.0005","13.4537","0.0005","26.5153","0.0009","90","","90","","90","","4665.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride","","- C23 H27 Cl3 N3 Rh -","- C23 H27 Cl3 N3 Rh -","- C184 H216 Cl24 N24 Rh8 -","8","1","RZ5146","Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno","Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","248","","10.1107/S205698901500184X","","","0.71073","MoKα","","0.0587","0.0318","","","0.0501","0.0535","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019848","9.7935","0.0016","11.2141","0.0018","19.57","0.003","103.601","0.004","90.867","0.003","108.24","0.004","1974.9","0.5","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","[1-(2,6-Diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ^2^<i>N</i>^1^,<i>N</i>^5^](triphenylphosphane-κ<i>P</i>)copper(I)","","- C39 H53 Cu N5 P Si -","- C39 H53 Cu N5 P Si -","- C78 H106 Cu2 N10 P2 Si2 -","2","1","","Li, Feiguang; Yan, Lei; Tong, Hongbo; Zhou, Meisu","Crystal structure of [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m54","","10.1107/S2056989015002169","","","0.71073","MoKα","","0.1189","0.0509","","","0.0748","0.0891","","","","","","0.749","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019849","11.2426","0.0003","11.4899","0.0003","30.372","0.0009","79.121","0.001","88.628","0.002","81.85","0.001","3813.91","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-(1-Benzyl-2-oxoindolin-3-ylidene)-<i>N</i>-phenylhydrazine-1-carbothioamide","","- C22 H18 N4 O S -","- C22 H18 N4 O S -","- C176 H144 N32 O8 S8 -","8","4","SU5069","Vimala, G.; Haribabu, J.; Karvembu, R.; Kumar, B. V. N. Phani; SubbiahPandi, A.","Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o160","","10.1107/S2056989015002248","","","0.71073","MoKα","","0.167","0.0525","","","0.1116","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019850","10.7726","0.0006","9.7572","0.0003","12.2084","0.0005","90","","115.547","0.006","90","","1157.77","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one","3-[2-(Thiophen-3-yl)ethynyl]-2<i>H</i>-chromen-2-one","","- C15 H8 O2 S -","- C15 H8 O2 S -","- C60 H32 O8 S4 -","4","1","","Caracelli, Ignez; Maganhi, Stella H.; Stefani, Hélio A.; Gueogjian, Karina; Tiekink, Edward R. T.","Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o154","","10.1107/S2056989015002157","","","1.54184","CuKα","","0.0548","0.0504","","","0.1499","0.1557","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019851","10.8336","0.0011","11.7927","0.0011","13.7275","0.0014","90","","108.357","0.002","90","","1664.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methylamino-3-nitro-4-<i>p</i>-tolylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","HB7345","Govindaraj, J.; AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o158","","10.1107/S205698901500225X","","","0.71073","MoKα","","0.0931","0.0498","","","0.1188","0.1508","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019852","10.85","0.01","9.51","0.009","11.2","0.011","90","","94.85","0.02","90","","1151.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-{<i>N</i>-[<i>N</i>-Acetyl-(<i>S</i>)-leucyl]-(<i>S</i>)-leucyl}norleucinal","","- C20 H37 N3 O4 -","- C20 H37 N3 O4 -","- C40 H74 N6 O8 -","2","1","GK2625","Czerwinski, Andrzej; Basava, Channa; Dauter, Miroslawa; Dauter, Zbigniew","Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","254","","10.1107/S2056989015002091","","","0.6199","synchrotron","","0.0417","0.0412","","","0.1142","0.115","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019853","34.883","0.005","8.3956","0.0009","6.583","0.0008","90","","95.65","0.011","90","","1918.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol)","1-({3-[(2-Hydroxynaphthalen-1-yl)methyl]imidazolidin-1-yl}methyl)naphthalen-2-ol","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","0.5","","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,1′-[imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","258","","10.1107/S2056989015002078","","","0.71073","MoKα","","0.0686","0.0546","","","0.1503","0.1585","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019854","11.8894","0.0005","10.2181","0.0004","17.5044","0.0008","90","","97.991","0.002","90","","2105.91","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 2'',3-dioxo-1'',2'',3',3'a,4',6'-hexahydro-3<i>H</i>-dispiro[1-benzothiophene-2,2'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-1',3''-indole]-3'-carboxylate","2'',3-Dioxo-7',7a'-dihydro-1'<i>H</i>,3<i>H</i>,3'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,6'-pyrrolo[1,2-<i>c</i>]thiazole-5',3''-indoline]-7'-carboxylate","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C92 H80 N8 O16 S8 -","4","1","SU5067","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o148","","10.1107/S2056989015002030","","","0.71073","MoKα","","0.0397","0.0319","","","0.0806","0.0877","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019855","13.877","0.002","11.8999","0.0019","15.426","0.004","90","","116.463","0.004","90","","2280.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ethyl 5''-fluoro-2'',3-dioxo-1'',2',2'',5',6',7',8',8'a-\ octahydro-3<i>H</i>-dispiro[1-benzothiophene-2,1'-indolizine-3',3''-\ indole]-2'-carboxylate","Ethyl 5''-fluoro-2'',3-dioxo-6',7',8',8a'-tetrahydro-\ 2'<i>H</i>,3<i>H</i>,5'<i>H</i>-dispiro[benzo[<i>b</i>]thiophene-2,1'-\ indolizine-3',3''-indoline]-2'-carboxylate","","- C25 H23 F N2 O4 S -","- C25 H23 F N2 O4 S -","- C100 H92 F4 N8 O16 S4 -","4","1","SU5063","Raja, R.; Govindaraj, J.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a'-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o156","","10.1107/S2056989015002121","","","0.71073","MoKα","","0.0656","0.0438","","","0.1039","0.1188","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019856","9.8527","0.0001","9.8527","0.0001","9.8527","0.0001","90","","90","","90","","956.458","0.017","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium rubidium cobalt(II)/titanium(IV) tris(orthophosphate)","","- Co0.293 K0.845 O12 P3 Rb0.743 Ti1.707 -","- Co0.2927 K0.844 O12 P3 Rb0.743 Ti1.7073 -","- Co1.1708 K3.376 O48 P12 Rb2.972 Ti6.8292 -","4","0.333333","BR2246","Strutynska, Nataliia Yu.; Bondarenko, Marina A.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","Crystal structure of langbeinite-related Rb0.743K0.845Co0.293Ti1.707(PO4)3","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","251","","10.1107/S2056989015001826","","","0.71073","MoKα","","0.0306","0.0258","","","","0.0514","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019857","9.4184","0.0003","9.8804","0.0004","12.5401","0.0005","95.341","0.002","107.535","0.002","99.94","0.002","1082.87","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","20-(Naphthalen-1-yl)-19-oxa-8,17-diazapentacyclo[8.7.3.0^1,10^.0^2,7^.0^12,17^]icosa-2(7),3,5-triene-9,18-dione","15-(Naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-<i>c</i>]quinoline-6,13(5<i>H</i>)-dione","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","SU5066","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of 15-(naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-c]quinoline-6,13(5H)-dione","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o150","","10.1107/S2056989015002017","","","0.71073","MoKα","","0.057","0.0402","","","0.1146","0.1573","","","","","","0.872","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019858","7.432","0.0003","11.9278","0.0003","15.3152","0.0006","90","","90","","90","","1357.65","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,8-Trimethyldodecahydroazuleno[6,5-<i>b</i>]furan-2,5-dione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.","Crystal structure of pseudoguainolide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o162","","10.1107/S2056989015002510","","","0.71073","MoKα","","0.0637","0.0474","","","0.099","0.107","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019859","9.9727","0.0015","31.971","0.005","10.2162","0.0015","90","","110.022","0.002","90","","3060.4","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)(thiocyanato-κ<i>N</i>)copper(I)","","- C31 H34 Cu N3 P2 S2 -","- C31 H34 Cu N3 P2 S2 -","- C124 H136 Cu4 N12 P8 S8 -","4","2","LH5751","Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira","Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m61","","10.1107/S2056989015002479","","","0.71073","MoKα","","0.0511","0.0454","","","0.1084","0.1106","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019860","5.4431","0.0003","6.4313","0.0004","28.5697","0.0015","90","","92.762","0.002","90","","998.96","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquabis[2-(2-nitrophenyl)acetato-κ<i>O</i>]cobalt(II)","","- C16 H20 Co N2 O12 -","- C16 H20 Co N2 O12 -","- C32 H40 Co2 N4 O24 -","2","0.5","WM5121","Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad","Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m59","","10.1107/S2056989015002467","","","0.71073","MoKα","","0.0323","0.0277","","","0.0677","0.0704","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019861","18.3559","0.0011","9.6747","0.0005","10.3368","0.0006","90","","116.81","0.002","90","","1638.37","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)","","- C30 H42 N4 Pd S4 -","- C30 H42 N4 Pd S4 -","- C60 H84 N8 Pd2 S8 -","2","0.5","","Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m63","","10.1107/S2056989015002236","","","1.54187","CuKα","","0.0989","0.0905","","","0.2136","0.2245","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019862","8.019","0.006","9.562","0.008","9.984","0.008","88.937","0.013","76.254","0.012","71.586","0.013","704.2","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one","","- C15 H11 Cl2 N O S -","- C15 H11 Cl2 N O S -","- C30 H22 Cl4 N2 O2 S2 -","2","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0393","0.0359","","","0.0956","0.0987","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019863","7.1094","0.0017","20.94","0.005","20.94","","90","","90","","90","","3117.4","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","","- C15 H11 Cl2 N O2 S -","- C15 H11 Cl2 N O2 S -","- C120 H88 Cl16 N8 O16 S8 -","8","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0791","0.0513","","","0.1263","0.1381","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019864","9.3108","0.0004","10.1943","0.0004","13.4745","0.0005","81.557","0.002","79.143","0.002","77.797","0.003","1220.03","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II)‒1-methyl-1<i>H</i>-imidazole (1/2)","","- C60 H52 Fe N12 -","- C60 H52 Fe N12 -","- C60 H52 Fe N12 -","1","0.5","","Guan, Ye; Powell, Douglas R.; Richter-Addo, George B.","Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2)","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","m57","","10.1107/S2056989015002364","","","0.71073","MoKα","","0.0469","0.0402","","","0.1121","0.1191","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019865","14.7029","0.0012","16.6256","0.0014","18.8428","0.0015","90","","90","","90","","4606","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7,10-Bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","","- C39 H48 Cl6 O17 -","- C39 H48 Cl6 O17 -","- C156 H192 Cl24 O68 -","4","1","QS3041","Wang, Li; Li, Ya-jun; Li, Zheng-wei","Towards validating new enzymatic routes for synthetic conversion: 7,10-bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229614027399","","","0.71073","MoKα","","0.0895","0.0527","","","0.0998","0.1152","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019866","21.5898","0.0009","12.3292","0.0003","43.403","0.002","90","","104.129","0.005","90","","11203.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(tri-<i>o</i>-tolylphosphite-κ<i>P</i>)nickel(II)","","- C63 H63 Ni O9 P3 -","- C63 H63 Ni O9 P3 -","- C504 H504 Ni8 O72 P24 -","8","1","FG3327","Kampmann, Sven S.; Skelton, Brian W.; Wild, Duncan A.; Koutsantonis, George A.; Stewart, Scott G.","Tris(tri-<i>o</i>-tolyl phosphite-κ<i>P</i>)nickel: a coordinatively unsaturated nickel(0) complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615001680","","","1.54178","CuKα","","0.1144","0.0994","","","0.2454","0.2586","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019867","15.7293","0.0008","15.7293","0.0008","27.901","0.0014","90","","90","","90","","6903","0.6","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","Dodeca-μ~2~-acetato-κ^24^-<i>O</i>:<i>O</i>'-tetraaquatetra-μ~2~-nitro-κ^8^<i>O</i>:<i>O</i>'-octa-μ~3~-oxido-tetra-μ~2~-oxido-tetramanganese(IV)octamanganese(III) nitromethane tetrasolvate","","- C28 H56 Mn12 N8 O60 -","- C28 H56 Mn12 N8 O60 -","- C112 H224 Mn48 N32 O240 -","4","","FA3358","Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A.","[Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002326","","","0.71073","MoKα","","0.0348","0.0255","","","0.0635","0.0662","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019868","12.8008","0.0015","9.5323","0.0011","22.906","0.003","90","","92.817","0.003","90","","2791.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-{4-[(9,9-Dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","","- C35 H31 N Si -","- C35 H31 N Si -","- C140 H124 N4 Si4 -","4","1","LY3008","Lee, Ah-Rang; Han, Won-Sik","Incorporating two different chromophores onto a silicon atom: the crystal structure and photophysical properties of 9-{4-[(9,9-dimethyl-9<i>H</i>-fluoren-2-yl)dimethylsilyl]phenyl}-9<i>H</i>-carbazole","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002624","","","0.71073","MoKα","","0.2061","0.0586","","","0.1412","0.2215","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019869","11.2986","0.0003","4.8997","0.0001","21.6179","0.0005","90","","102.636","0.001","90","","1167.78","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyloxycarbonyl-<i>L</i>-valyl-<i>L</i>-tyrosine methyl ester","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C46 H56 N4 O12 -","2","1","YF3079","Nicholas, Sumesh","The peptide NCbz-Val-Tyr-OMe and aromatic π‒π interactions","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002739","","","0.71073","MoKα","","0.046","0.0355","","","0.0897","0.0985","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019870","6.8001","0.0001","8.8015","0.0002","17.4805","0.0003","90","","90","","90","","1046.23","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","captopril","(2<i>S</i>)-1-[(2<i>S</i>)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0195","0.0195","","","0.052","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019871","6.6678","0.0004","11.068","0.0006","14.4219","0.0008","90","","91.925","0.002","90","","1063.72","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","captopril disulfide","1,1'-{Disulfanediylbis[(2<i>S</i>)-2-methyl-1-oxopropane-3,1-diyl]}bis-<i>L</i>-proline","","- C18 H28 N2 O6 S2 -","- C18 H28 N2 O6 S2 -","- C36 H56 N4 O12 S4 -","2","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0414","0.0411","","","0.1051","0.1054","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019872","17.9322","0.0004","10.4961","0.0003","13.2006","0.0004","90","","95.896","0.002","90","","2471.45","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cyclohexyl-5-ethylbarbituric acid form I","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","0.71073","MoKα","","0.0874","0.0611","","","0.1108","0.1246","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019873","12.5071","0.0007","21.0741","0.0009","10.331","0.0005","90","","116.989","0.005","90","","2426.5","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Cyclohexyl-5-ethylbarbituric acid form II","5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","1","CU3074","Gelbrich, Thomas; Meischberger, Isabella; Griesser, Ulrich J.","Two polymorphs of 5-cyclohexyl-5-ethylbarbituric acid and their packing relationships with other barbiturates","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002880","","","1.5418","CuKα","","0.0388","0.0345","","","0.0961","0.0988","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019874","10.193","0.003","23.924","0.002","7.284","0.003","90","","90","","90","","1776.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","<i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate]","","","- C4 H16 Mg2 N18 O7 -","- C4 H16 Mg2 N18 O7 -","- C16 H64 Mg8 N72 O28 -","4","1","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0599","0.0468","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019875","7.868","0.002","8.268","0.003","8.608","0.002","63.59","0.02","68.56","0.03","80.47","0.02","466.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[5-(pyrazin-2-yl)tetrazolate] hexaaquamagnesium(II)","","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","- C10 H18 Mg N12 O6 -","1","0.5","","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane","Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002727","","","0.71073","MoKα","","0.0752","0.0516","","","","0.1124","","","","","","1.139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019876","13.9475","0.0005","8.1618","0.0003","40.9157","0.0014","90","","98.148","0.003","90","","4610.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒1-methylpyrrolidin-2-one (1/1/2)","","- C19 H30 N8 O3 S -","- C19 H30 N8 O3 S -","- C152 H240 N64 O24 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0486","0.0442","","","0.1183","0.1218","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019877","6.9996","0.0008","19.223","0.002","17.143","0.002","90","","90","","90","","2306.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/1)","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C72 H96 N48 O8 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.11","0.0522","","","0.0951","0.1113","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019878","8.2095","0.0007","12.8069","0.0011","14.3391","0.0013","89.914","0.007","76.23","0.007","83.418","0.007","1454.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylacetamide (2/1/2)","","- C22 H36 N10 O4 S2 -","- C22 H36 N10 O4 S2 -","- C44 H72 N20 O8 S4 -","2","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0481","0.0386","","","0.1007","0.1045","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019879","14.9786","0.0015","8.201","0.0011","22.568","0.002","90","","99.899","0.008","90","","2731","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒dimethylformamide (2/1/2)","","- C10 H16 N5 O2 S -","- C10 H16 N5 O2 S -","- C80 H128 N40 O16 S8 -","8","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0582","0.0395","","","0.089","0.0953","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019880","8.268","0.0008","6.6","0.0004","25.043","0.002","90","","98.887","0.007","90","","1350.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,4,6-Triaminopyrimidinium 6-methyl-2-thiouracilate‒6-methyl-2-thiouracil‒dimethylformamide (1/1/1)","","- C20 H33 N11 O4 S2 -","- C20 H33 N11 O4 S2 -","- C40 H66 N22 O8 S4 -","2","0.5","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0413","0.0367","","","0.0994","0.1019","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019881","7.3559","0.0006","30.068","0.002","8.1263","0.0007","90","","115.534","0.006","90","","1621.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethylformamide (1/1/1)","","- C12 H19 N7 O3 S -","- C12 H19 N7 O3 S -","- C48 H76 N28 O12 S4 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.053","0.0468","","","0.1315","0.1367","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019882","8.252","0.0007","23.9532","0.0019","8.2133","0.0006","90","","102.496","0.006","90","","1585","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒dimethyl sulfoxide (1/1/1)","","- C11 H18 N6 O3 S2 -","- C11 H18 N6 O3 S2 -","- C44 H72 N24 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Egert, Ernst","Cocrystals of 6-methyl-2-thiouracil: presence of the acceptor‒donor‒acceptor/donor‒acceptor‒donor synthon","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002867","","","0.71073","MoKα","","0.0593","0.0471","","","0.1079","0.1131","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019883","15.0889","0.0004","5.2252","0.0001","33.5535","0.0009","90","","99.449","0.001","90","","2609.55","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trioctylphosphine oxide","Trioctylphosphine oxide","","- C24 H51 O P -","- C24 H51 O P -","- C96 H204 O4 P4 -","4","1","FN3187","Doan-Nguyen, Vicky V. T.; Carroll, Patrick J.; Murray, Christopher B.","Structure determination and modeling of monoclinic trioctylphosphine oxide","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615003009","","","0.71073","MoKα","","0.0477","0.0386","","","0.0968","0.1026","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019884","16.2389","0.0005","15.3506","0.0005","16.5549","0.0005","90","","99.3892","0.0017","90","","4071.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) monohydrate","","- C40 H30 F12 Mn N8 O P2 -","- C40 H28 F12 Mn N8 O P2 -","- C160 H112 F48 Mn4 N32 O4 P8 -","4","1","HG5428","Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.","Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E Crystallographic Communications","2015","71","4","330","","10.1107/S2056989015003503","","","0.71073","MoKα","","0.1174","0.0885","","","0.2176","0.2444","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019885","18.0996","0.0015","27.47","0.002","8.5734","0.0006","90","","90","","90","","4262.7","0.6","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) acetone monosolvate","","- C43 H34 F12 Mn N8 O P2 -","- C43 H34 F12 Mn N8 O P2 -","- C172 H136 F48 Mn4 N32 O4 P8 -","4","0.5","","Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.","Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E Crystallographic Communications","2015","71","4","330","","10.1107/S2056989015003503","","","0.71073","MoKα","","0.1446","0.1036","","","0.2439","0.27","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019886","10.252","0.002","5.8362","0.0012","12.656","0.003","90","","106.29","0.03","90","","726.8","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C24 H22 Cl2 N4 O16 -","2","0.5","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0824","0.0785","","","0.2523","0.2578","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019887","20.904","0.004","11.953","0.002","12.018","0.002","90","","108.18","0.03","90","","2853","1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","","- C12 H11 Cl N2 O8 -","- C12 H11 Cl N2 O8 -","- C96 H88 Cl8 N16 O64 -","8","1","KU3149","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing","Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003691","","","0.71073","MoKα","","0.0618","0.057","","","0.1594","0.1648","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019888","10.516","0.003","14.796","0.005","10.62","0.003","90","","101.986","0.004","90","","1616.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetrahydroberberine","9,10-Dimethoxy-5,8,13,13a-tetrahydro-6<i>H</i>-benzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizine","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","KY3073","Pingali, Subramanya; Donahue, James P.; Payton-Stewart, Florastina","Tetrahydroberberine, a pharmacologically active naturally occurring alkaloid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004076","","","0.71073","MoKα","","0.0732","0.05","","","0.1201","0.1322","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019889","6.6312","0.0014","9.717","0.002","12.837","0.003","76.136","0.004","89.521","0.004","81.162","0.004","793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[copper(II)-di-μ-chlorido-μ-proline-κ^2^<i>O</i>:<i>O</i>']","","- C5 H9 Cl2 Cu N O2 -","- C5 H9 Cl2 Cu N O2 -","- C20 H36 Cl8 Cu4 N4 O8 -","4","2","YF3081","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","Unexpected proline coordination in the copper chain polymer [Cu(μ-Cl)~2~(μ-<small>DL</small>-proline-κ^2^<i>O</i>:<i>O</i>')]^1^~{\ιnfty ~}","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500426X","","","0.71073","MoKα","","0.0575","0.0432","","","0.0845","0.0905","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019890","6.90225","0.00016","7.13","0.00016","25.4692","0.0005","90","","90","","90","","1253.42","0.05","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","SK3581","Cameron, T. Stanley; Grossert, J. Stuart; Maheux, Chad R.; Alarcon, Idralyn Q.; Copeland, Catherine R.; Linden, Anthony","Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004295","","","1.54184","CuKα","","0.0697","0.0667","","","0.1772","0.18","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019891","10.1149","0.0005","8.1266","0.0004","23.1765","0.0012","90","","91.889","0.001","90","","1904.07","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrapropylammonium carbamothioyl(carbamothioylamino)azanide","","- C14 H33 N5 S2 -","- C14 H33 N5 S2 -","- C56 H132 N20 S8 -","4","1","YO3004","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0475","0.0393","","","0.1061","0.1121","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019892","9.4151","0.0001","9.6835","0.0001","13.4189","0.0001","77.679","0.001","89.246","0.001","77.692","0.001","1167.1","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Tetrabutylammonium carbamothioyl(carbamothioylamino)azanide","","- C18 H41 N5 S2 -","- C18 H41 N5 S2 -","- C36 H82 N10 S4 -","2","1","","Guo, Hao; Wu, Jinfeng","N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds","Acta Crystallographica Section C Structural Chemistry","2015","71","4","","","10.1107/S2053229615003095","","","0.71073","MoKα","","0.0855","0.0582","","","0.1553","0.1755","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019893","10.8804","0.0003","11.4335","0.0003","12.5387","0.0003","66.319","0.002","78.224","0.002","69.035","0.002","1330.59","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","","- C26 H29 Cl N4 Ni O7 -","- C26 H29 Cl N4 Ni O7 -","- C52 H58 Cl2 N8 Ni2 O14 -","2","1","KY3074","Farkašová, Nela; Černák, Juraj; Falvello, Larry R.; Orendáč, Martin; Boča, Roman","Synthesis, crystal structure and magnetic properties of (acetato-κ^2^<i>O</i>,<i>O</i>')bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) perchlorate monohydrate","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003952","","","0.71073","MoKα","","0.0415","0.0357","","","0.0898","0.093","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019894","14.751","0.003","10.014","0.002","16.418","0.004","90","","106.13","0.03","90","","2329.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","","- C24 H24 Ag As N O4 P -","- C24 H24 Ag As N O4 P -","- C96 H96 Ag4 As4 N4 O16 P4 -","4","1","KU3147","Xiao, Zu-Ping; Wen, Meng; Wang, Chun-Ya; Huang, Xi-He","A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(μ~3~-4-aminophenylarsonato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>)(triphenylphosphane-κ<i>P</i>)silver(I)] monohydrate]","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615003885","","","0.71073","MoKα","","0.0491","0.0433","","","0.0773","0.0794","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019895","6.2201","0.0006","22.964","0.002","16.8626","0.0016","90","","92.879","0.008","90","","2405.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8,10,12-Triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate","","- C23 H30 N6 O6 -","- C23 H30 N6 O6 -","- C92 H120 N24 O24 -","4","2","LG3159","Rivera, Augusto; Uribe, Juan Manuel; Ríos-Motta, Jaime; Osorio, Hector Jairo; Bolte, Michael","Evidence for stereoelectronic effects in the N—C—N group of 8,10,12-triaza-1-azoniatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane 4-nitrophenolate 4-nitrophenol monosolvate from the protonation of aminal (2<i>R</i>,7<i>R</i>)-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecane: X-ray and natural bond orbital analysis","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004829","","","0.71073","MoKα","","0.0611","0.044","","","0.0999","0.1065","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019896","13.3384","0.0019","13.3384","0.0019","24.957","0.005","90","","90","","120","","3845.3","1.1","293","2","293","2","","","","","","","","5","P 61","P 61","169","","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate]","","- C16 H15.5 Cd2 N12 O5.75 -","- C16 H14 Cd2 N12 O5.75 -","- C96 H84 Cd12 N72 O34.5 -","6","1","QS3042","Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang","A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004258","","","0.71073","MoKα","","0.0462","0.0456","","","0.1046","0.1051","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019897","4.1667","0.0004","12.6657","0.0011","20.3238","0.0018","90","","90","","90","","1072.57","0.17","120","","120","","","","","","","","","4","P b c m","-P 2c 2b","57","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","0.5","LG3157","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0665","0.054","","","0.1364","0.149","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019898","6.0184","0.0004","7.4714","0.0005","12.0911","0.0007","84.371","0.001","89.906","0.001","76.094","0.002","525.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","Pyrimidin-2-amine‒glutaric acid (1/1)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.051","0.0416","","","0.114","0.1258","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019899","10.2625","0.0004","15.0558","0.0006","11.1755","0.0004","90","","113.032","0.001","90","","1589.08","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrimidin-2-amine‒glutaric acid (2/1)","","- C13 H18 N6 O4 -","- C13 H18 N6 O4 -","- C52 H72 N24 O16 -","4","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0642","0.0431","","","0.1114","0.1232","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019900","5.4848","0.0003","11.1944","0.0005","22.9123","0.0011","91.781","0.001","92.371","0.001","103.011","0.001","1368.32","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyrimidinium) glutarate‒glutaric acid (1/2)","","- C23 H34 N6 O12 -","- C23 H34 N6 O12 -","- C46 H68 N12 O24 -","2","1","","Odiase, Isaac; Nicholson, Catherine E.; Ahmad, Ruksanna; Cooper, Jerry; Yufit, Dmitry S.; Cooper, Sharon J.","Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004283","","","0.71073","MoKα","","0.0488","0.0391","","","0.1025","0.1105","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019901","8.153","0.011","9.866","0.012","9.969","0.012","90.179","0.012","96.892","0.014","109.15","0.02","751.3","1.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","Tetrakis(1-methyl-2,3-dihydro-1<i>H</i>-imidazole-2-thione-κ<i>S</i>)gold(III) trichloride sesquihydrate","","- C16 H27 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","- C16 H24 Au Cl3 N8 O1.5 S4 -","1","0.5","","Lynch, Will E.; Padgett, Clifford W.; Quillian, Brandon; Haddock, John","A square-planar hydrated cationic tetrakis(methimazole)gold(III) complex","Acta Crystallographica Section C","2015","71","4","","","10.1107/S205322961500474X","","","0.71075","MoKα","","","0.0413","","","","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019902","8.2892","0.001","8.3401","0.0007","11.0225","0.0013","90","","108.75","0.013","90","","721.58","0.15","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","Dendrocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-1-Hydroxy-6,6,9a-\ trimethyldodecahydronaphtho[1,2-<i>c</i>]furan-3-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","YP3088","Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004994","","","0.71073","MoKα","","0.0705","0.0429","","","0.0852","0.0969","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019903","8.5138","0.0011","10.5593","0.0013","12.2415","0.0015","66.699","0.002","74.443","0.002","85.953","0.002","972.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')yttrium(III)]-\ μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","- C36 H46 N2 O14 Y2 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0337","0.0281","","","0.0654","0.0679","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019904","8.516","0.002","10.546","0.003","12.139","0.003","66.473","0.004","74.612","0.005","86.407","0.004","962.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-μ-4,4'-(ethane-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","- C36 H46 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0189","0.0183","","","0.0454","0.0458","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019905","8.5736","0.0019","10.436","0.002","11.995","0.003","66.935","0.004","74.909","0.004","86.261","0.004","952.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ bis(μ-but-2-enoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:\ <i>O</i>,<i>O</i>-[aquabis(but-2-enoato-κ^2^<i>O</i>:<i>O</i>')\ gadolinium(III)]-\ μ-4,4'-(ethene-1,2-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","- C36 H44 Gd2 N2 O14 -","1","0.5","FP3007","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004751","","","0.71073","MoKα","","0.0244","0.0225","","","0.0533","0.0542","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019906","8.0054","0.0016","9.972","0.002","11.451","0.002","80.91","0.03","71.17","0.03","81.95","0.03","850.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis({1-[(1<i>H</i>-benzoimidazol-2-yl-\ κ<i>N</i>^3^)methyl]-1<i>H</i>-tetrazole}zinc(II))-bis(μ~4~-pentane-1,5-\ dioato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^5^:<i>O</i>^5'^)] methanol disolvate]","","- C15 H18 N6 O5 Zn -","- C15 H18 N6 O5 Zn -","- C30 H36 N12 O10 Zn2 -","2","1","SK3580","Huang, Qiu-Ying; Zhang, Yu-Hong; Meng, Xiang-Ru","A one-dimensional zinc(II) coordination polymer based on mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005422","","","0.71073","MoKα","","0.0379","0.034","","","0.0738","0.0766","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019907","13.5177","0.0013","7.8151","0.0007","16.3815","0.0016","90","","105.988","0.001","90","","1663.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[aquacalcium(II)]-μ-aqua-μ~3~-<i>DL</i>-proline-μ~2~-<i>DL</i>-proline]","","- C10 H22 Br2 Ca N2 O6 -","- C10 H22 Br2 Ca N2 O6 -","- C40 H88 Br8 Ca4 N8 O24 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0353","0.0277","","","0.0587","0.061","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019908","20.598","0.004","7.679","0.0014","9.7974","0.0017","90","","95.553","0.003","90","","1542.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)]","","- C10 H18 Br2 Ca N2 O4 -","- C10 H18 Br2 Ca N2 O4 -","- C40 H72 Br8 Ca4 N8 O16 -","4","1","YP3093","Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli","One- and two-dimensional polymers from proline and calcium bromide","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005008","","","0.71073","MoKα","","0.0482","0.0419","","","0.0947","0.0983","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019909","10.319","0.002","15.029","0.003","9.954","0.002","90","","100.02","0.03","90","","1520.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-(dimethylamino)pyridin-1-ium [di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-thiocyanato-κ<i>N</i>-cadmium(II)]]","","- C10 H11 Cd N5 S3 -","- C10 H11 Cd N5 S3 -","- C40 H44 Cd4 N20 S12 -","4","1","WQ3086","Wang, Hui-Ting; Wang, Xiao-Li","A new two-dimensional anionic cadmium(II) polymer constructed through thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615005239","","","0.71073","MoKα","","0.0471","0.0326","","","0.0677","0.0738","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019910","12.0229","0.0002","12.1092","0.0003","13.2095","0.0002","98.921","0.001","115.403","0.001","108.241","0.001","1553.23","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4,6-dimethyl pyrimidin-1-ium thiobarbiturate trihydrate","","- C10 H19 N5 O5 S -","- C10 H19 N5 O5 S -","- C40 H76 N20 O20 S4 -","4","2","ZB5044","Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas","Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","2","","","10.1107/S2052520615001729","","","0.71073","MoKα","","0.0755","0.0474","","","0.1308","0.1476","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019911","10.2941","0.0005","10.9564","0.0004","14.3656","0.0006","77.876","0.002","86.712","0.003","75.243","0.002","1531.84","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4,6-dimethoxy pyrimidin-1-ium thiobarbiturate dihydrate","","- C10 H16 N5 O5.75 S -","- C10 H16 N5 O5.75 S -","- C40 H64 N20 O23 S4 -","4","2","ZB5044","Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas","Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","2","","","10.1107/S2052520615001729","","","0.71073","MoKα","","0.0663","0.0448","","","0.121","0.1385","","","","","","1.031","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2019912","7.8329","0.0001","15.2433","0.0002","17.7173","0.0002","90","","101.925","0.001","90","","2069.78","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-5-(3,4,5-trimethoxybenzyl) pyrimidine thiobarbiturate","","- C18 H22 N6 O5 S -","- C18 H22 N6 O5 S -","- C72 H88 N24 O20 S4 -","4","1","ZB5044","Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas","Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","2","","","10.1107/S2052520615001729","","","0.71073","MoKα","","0.058","0.0436","","","0.1234","0.1343","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019913","16.703","0.0013","8.0515","0.0006","17.0919","0.0013","90","","90","","90","","2298.6","0.3","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-methoxy-2-phenylacetate","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.0757","0.0739","","","0.1663","0.1672","","","","","","1.308","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019914","11.2274","0.0014","13.3892","0.0017","16.849","0.002","91.475","0.002","92.646","0.002","106.889","0.002","2419","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-ethoxy-2-phenylacetate","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","2","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.1187","0.0646","","","0.1306","0.1537","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019915","13.9402","0.0012","16.538","0.0015","14.3279","0.0013","90","","116.042","0.001","90","","2967.8","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-[(4-methoxybenzyl)oxy]-2-phenylacetate","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.059","0.0475","","","0.1239","0.1331","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019916","18.2606","0.0017","9.8976","0.0009","18.5364","0.0017","90","","99.31","0.002","90","","3306.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(anthracen-9-yl)methoxy]-2-{3-[(<i>tert</i>-butoxycarbonyl)amino]-1-methyl-2-oxoindolin-3-yl}-2-phenylacetate","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C152 H144 N8 O24 -","4","1","LG3161","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Rajasekaran, Tamilselvan; Reddy, Basi Venkata Subba","Four oxoindole-linked α-alkoxy-β-amino acid derivatives","Acta Crystallographica Section C","2015","71","4","322","329","10.1107/S2053229615005604","","","0.71073","MoKα","","0.073","0.0474","","","0.1144","0.1285","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019917","5.5114","0.0011","8.3524","0.0017","13.106","0.003","90","","91.01","0.03","90","","603.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Strontium zinc diarsenic heptaoxide","","- As2 O7 Sr Zn -","- As2 O7 Sr Zn -","- As8 O28 Sr4 Zn4 -","4","1","SK3577","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0408","0.0318","","","0.0711","0.0743","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019918","5.7343","0.0011","8.4722","0.0017","13.071","0.003","90","","91.12","0.03","90","","634.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Barium copper diarsenic heptaoxide","","- As2 Ba Cu O7 -","- As2 Ba Cu O7 -","- As8 Ba4 Cu4 O28 -","4","1","","Kovač, Sabina; Karanović, Ljiljana; Dordević, Tamara","An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs~2~O~7~ and BaCuAs~2~O~7~","Acta Crystallographica Section C","2015","71","4","330","337","10.1107/S2053229615005616","","","0.71073","MoKα","","0.0265","0.0247","","","0.0588","0.0594","","","","","","1.204","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019919","19.1669","0.001","4.9965","0.0002","21.2416","0.0011","90","","101.946","0.004","90","","1990.2","0.17","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tribenzylphosphorothioic triamide","","- C21 H24 N3 P S -","- C21 H24 N3 P S -","- C84 H96 N12 P4 S4 -","4","1","FN3190","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Marandi, Pari; Dušek, Michal; Eigner, Václav","A new phosphorothioic triamide structure: P(S)[NHCH~2~C~6~H~5~]~3~","Acta Crystallographica Section C","2015","71","4","338","343","10.1107/S2053229615004453","","","1.54184","CuKα","","0.0617","0.0549","","","0.1315","0.1375","","","","","","1.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019920","14.707","0.005","14.707","0.005","19.175","0.007","90","","90","","120","","3592","2","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Double hexakismolybdate(VI) de chrome et de nonasodium","Nonasodium chromium(III) hexakis[molybdate(VI)]","","- Cr Mo6 Na9 O24 -","- Cr Mo6 Na9 O24 -","- Cr6 Mo36 Na54 O144 -","6","0.166667","RU2063","Dridi, Wassim; Ennajeh, Ines; Zid, Mohamed Faouzi","Synthèse et étude structurale de Na9Cr(MoO4)6","Acta Crystallographica Section E Crystallographic Communications","2015","71","5","435","","10.1107/S2056989015005976","","","0.71073","MoKα","","0.0518","0.0282","","","0.0729","0.0779","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019921","3.805","0.0003","8.6739","0.0007","9.9138","0.0008","114.334","0.003","96.159","0.003","98.995","0.003","289.05","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine-1,1'-diium ethynedicarboxylate","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","1","0.5","EG3178","Chen, Xiaocui; Wang, Yue; Han, Shumin; Wei, Yongju; Wang, Ruiyao","4,4'-Bipyridine-1,1'-diium acetylenedicarboxylate: a new member of the (H~2~bipy)[Cu(ox)~2~] (bipy is 4,4'-bipyridine and ox is oxalate) family","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006336","","","0.71073","MoKα","","0.0438","0.0384","","","0.106","0.1102","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019922","11.0057","0.0002","7.64555","0.00014","18.6746","0.0003","90","","103.671","0.001","90","","1526.85","0.05","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,7-Dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C76 H60 F4 O12 -","4","1","YF3082","Mohri, Saki; Ohisa, Shinji; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Hydrogen bonding between aromatic H and F groups leading to a stripe structure withR- andS-columns: the crystal structure of (2,7-dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone and comparison with its 1-aroylnaphthalene analogues","Acta Crystallographica Section C Structural Chemistry","2015","71","5","","","10.1107/S2053229615005720","","","1.54187","CuKα","","0.0433","0.0363","","","0.0969","0.1005","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019923","20.656","0.004","17.666","0.004","31.305","0.006","90","","90","","90","","11423","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^2N,N')chromium(III) perchlorate","","- C10 H28 Br2 Cl Cr N4 O4 -","- C10 H28 Br2 Cl Cr N4 O4 -","- C240 H672 Br48 Cl24 Cr24 N96 O96 -","24","3","EG3179","Moon, Dohyun; Choi, Jong-Ha","Synthesis, crystal structure and spectroscopic properties of <i>trans</i>-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N,N</i>')chromium(III) perchlorate","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006026","","","0.62998","synchrotron","","0.0362","0.0308","","","0.0831","0.086","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019924","21.369","0.002","20.489","0.003","6.7444","0.001","90","","95.978","0.01","90","","2936.8","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Cyclohexylamino-3-methyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","0.71073","MoKα","","0.0959","0.0492","","","0.1001","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019925","7.3348","0.0003","7.3614","0.001","29.2335","0.0006","91.243","0.003","92.678","0.01","101.004","0.004","1547","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-4-[(Cyclohexylamino)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","2","QS3046","Orrego Hernandez, Jessica; Portilla, Jaime; Cobo, Justo; Glidewell, Christopher","Two different reaction products from the reaction of 1-aryl-5-chloro-3-methyl-1<i>H</i>-pyrazole-4-carbaldehyde with cyclohexylamine when the aryl substituent is phenyl or pyridin-2-yl: hydrogen-bonded sheets <i>versus</i> dimers","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006403","","","1.54184","CuKα","","0.0583","0.0458","","","0.1342","0.1389","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019926","7.1305","0.0005","12.5719","0.001","27.745","0.002","90","","90","","90","","2487.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methylpiperazine-1,4-diium bis(dihydrogen phosphate)","","- C5 H18 N2 O8 P2 -","- C5 H18 N2 O8 P2 -","- C40 H144 N16 O64 P16 -","8","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0656","0.041","","","0.0968","0.1106","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019927","17.3885","0.0007","10.4019","0.0005","8.3927","0.0003","90","","96.881","0.003","90","","1507.08","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","","- C10 H14 N2 O8 P2 -","- C10 H14 N2 O8 P2 -","- C40 H56 N8 O32 P8 -","4","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0677","0.0387","","","0.0876","0.1044","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019928","10.366","0.003","8.774","0.003","27.071","0.007","90","","101.48","0.01","90","","2412.9","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[diaquatris(μ~3~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)benzimidazole]tricadmium(II)","","- C48 H52 Cd3 N6 O14 -","- C48 H52 Cd3 N6 O14 -","- C96 H104 Cd6 N12 O28 -","2","0.5","LY3010","Yang, Xiu-Hong; Yang, Ming-Xing; Chen, Li-Juan; Guo, Jing; Lin, Shen","A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ~4~-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1<i>H</i>-benzimidazole]tricadmium(II)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615005823","","","0.71073","MoKα","","0.044","0.0384","","","0.1036","0.1094","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019929","10.5197","0.0005","6.7783","0.0004","15.039","0.0007","90","","103.807","0.004","90","","1041.38","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-<i>O</i>-[1-(2-Fluorophenyl)-4-methoxypiperidin-4-yl]‒β-<i>D</i>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","","- C21 H26 F N3 O7 -","- C21 H26 F N3 O7 -","- C42 H52 F2 N6 O14 -","2","1","FP3005","Kruszynski, Rafal; Czestkowski, Wojciech","The first structurally analysed nucleic acid building block containing the Reese protecting group: 2'-<i>O</i>-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]-β-<small>D</small>-(1'<i>R</i>,2'<i>R</i>,3'<i>R</i>,4'<i>R</i>)-uridine","Acta Crystallographica Section C","2015","71","5","402","406","10.1107/S2053229615006646","","","0.71073","MoKα","","0.0284","0.0281","","","0.0706","0.0708","","","","","","1.084","","","","has coordinates,has Fobs","136355","2020-10-21","18:00:00",""
"2019930","6.3846","0.0018","3.6024","0.0009","14.387","0.004","90","","110.636","0.01","90","","309.67","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0264","0.0259","","","0.0778","0.0786","","","","","","1.084","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019931","6.4","0.005","3.614","0.002","14.453","0.012","90","","110.369","0.01","90","","313.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F8 Na4 O8 V4 -","4","1","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0523","0.0509","","","0.155","0.1574","","","","","","1.041","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019932","6.369","0.005","3.625","0.002","7.196","0.006","90","","110.37","0.04","90","","155.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Sodium vanadium dioxide difluoride","","- F2 Na O2 V -","- F2 Na O2 V -","- F4 Na2 O4 V2 -","2","0.5","YP3086","Yu, Zi-Qun; Wang, Jing-Quan; Huang, Ya-Xi; Botis, Sanda M.; Pan, Yuanming; Mi, Jin-Xiao","Polymorphism of NaVO~2~F~2~: a <i>P</i>2~1~/<i>c</i> superstructure with pseudosymmetry of <i>P</i>2~1~/<i>m</i> in the subcell","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008530","","","0.71073","MoKα","","0.0286","0.0281","","","0.0778","0.0782","","","","","","1.089","","","","has coordinates,has Fobs","136356","2020-10-21","18:00:00",""
"2019933","7.4376","0.0004","8.0321","0.0004","11.422","0.0006","80.98","0.004","87.261","0.004","64.488","0.005","608.05","0.06","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)","","- C11 H10 Cu N4 O5 -","- C11 H10 Cu N4 O5 -","- C22 H20 Cu2 N8 O10 -","2","1","FA3361","Yousefi, Zakieh; Eshtiagh-Hosseini, Hossein; Salimi, Alireza; Soleimannejad, Janet","(2-Aminopyrimidine-κ<i>N</i>^1^)aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N,O</i>^6^)copper(II): X-ray and DFT calculated structure","Acta Crystallographica Section C","2015","71","5","386","393","10.1107/S2053229615005331","","","0.71073","MoKα","","0.0402","0.031","","","0.0707","0.0744","","","","","","1.06","","","","has coordinates,has Fobs","136357","2020-10-21","18:00:00",""
"2019934","11.162","0.002","9.1537","0.0018","16.348","0.005","90","","127.64","0.02","90","","1322.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ~2~-2,6-bis(imidazol-1-yl)pyridine-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(thiocyanato-κ<i>N</i>)manganese]","","- C24 H18 Mn N12 S2 -","- C24 H18 Mn N12 S2 -","- C48 H36 Mn2 N24 S4 -","2","0.5","FP3010","Wang, Yin-Lin; Long, Ling-Liang; Zhang, Jin-Fang","The crystal structure, luminescence and nitrobenzene-sensing properties of a two-dimensional Mn^II^ coordination polymer based on 2,6-bis(imidazol-1-yl)pyridine","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008529","","","0.71073","MoKα","","0.0401","0.0332","","","0.0786","0.0821","","","","","","1.049","","","","has coordinates,has Fobs","136358","2020-10-21","18:00:00",""
"2019935","12.2352","0.0008","26.1845","0.0018","4.0769","0.0003","90","","90","","90","","1306.13","0.16","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2<i>H</i>-1,3-dithiole-4,5-dicarboxylate","","- C13 H10 O6 S2 -","- C13 H10 O6 S2 -","- C52 H40 O24 S8 -","4","1","CU3076","Lissau, Henriette; Jevric, Martyn; Madsen, Anders Østergaard; Nielsen, Mogens Brøndsted","Synthesis of dithiafulvene‒quinone donor‒acceptor systems: isolation of a Michael adduct","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008578","","","0.71073","MoKα","","0.0514","0.0351","","","0.0708","0.077","","","","","","1.0601","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2019936","11.2934","0.0009","13.0083","0.001","15.8655","0.0013","91.083","0.004","110.514","0.004","99.713","0.004","2144","0.3","100","0.2","100.15","","","","","","","","","8","P -1","-P 1","2","","3-(Nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-\ 1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","","- C40.2 H45.4 B9 Cl4.4 N O3 P2 Rh -","- C38 H41 B9 N O3 P2 Rh -","- C76 H82 B18 N2 O6 P4 Rh2 -","2","1","FA3366","Rosair, Georgina M.; Scott, Greig; Welch, Alan J.","The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κ<i>O</i>)-3,3-bis(triphenylphosphane-κ<i>P</i>)-3-rhoda-1,2-dicarba-<i>closo</i>-dodecaborane(11) dichloromethane 2.2-solvate","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008724","","","0.71073","MoKα","","0.0445","0.0353","","","0.0858","0.089","","","","","","1.045","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019937","6.1299","0.0006","8.7431","0.0009","26.054","0.003","91.701","0.008","91.617","0.008","106.471","0.009","1337.5","0.3","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","Di-μ-aqua-bis[tetraaquasodium(I)] bis[4-(2,4,6-triisopropylbenzoyl)benzoate] dihydrate","","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","- C46 H78 Na2 O18 -","1","0.5","KU3156","Konieczny, Krzysztof; Bakowicz, Julia; Turowska-Tyrk, Ilona","The crystal and molecular structure of sodium 4-(2,4,6-triisopropylbenzoyl)benzoate in terms of the photochemical behaviour of the anion","Acta Crystallographica Section C","2015","71","5","410","414","10.1107/S2053229615008141","","","0.71073","MoKα","","0.1505","0.0787","","","0.1383","0.1629","","","","","","1.087","","","","has coordinates,has Fobs","136361","2020-10-21","18:00:00",""
"2019938","15.304","0.0005","12.9458","0.0004","26.6596","0.0009","90","","92.282","0.002","90","","5277.7","0.3","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","niclosamide","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide","","- C13 H8 Cl2 N2 O4 -","- C13 H8 Cl2 N2 O4 -","- C208 H128 Cl32 N32 O64 -","16","4","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.0499","0.0311","","","0.072","0.0763","","","","","","0.916","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019939","7.3426","0.0012","13.165","0.003","17.457","0.004","97.432","0.005","99.39","0.007","93.071","0.006","1646.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetone solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetone (1/1)","","- C16 H14 Cl2 N2 O5 -","- C16 H14 Cl2 N2 O5 -","- C64 H56 Cl8 N8 O20 -","4","2","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","0.71073","MoKα","","0.1386","0.0525","","","0.0773","0.0953","","","","","","0.924","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019940","3.8301","0.0002","11.7321","0.0005","16.9034","0.0007","87.976","0.002","87.124","0.002","84.077","0.003","754.2","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","niclosamide acetonitrile solvate","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide‒acetonitrile (1/1)","","- C15 H11 Cl2 N3 O4 -","- C15 H11 Cl2 N3 O4 -","- C30 H22 Cl4 N6 O8 -","2","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","","","1.54178","CuKα","","0.1216","0.0818","","","0.2011","0.2281","","","","","","0.998","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019941","3.81342","0.00019","16.1428","0.0007","23.065","0.0011","90","","92.874","0.002","90","","1418.08","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","niclosamide monohydrate A","5-chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide monohydrate","","- C13 H10 Cl2 N2 O5 -","- C13 H10 Cl2 N2 O5 -","- C52 H40 Cl8 N8 O20 -","4","1","FA3363","Sovago, Ioana; Bond, Andrew D.","Expanding the structural landscape of niclosamide: a high <i>Z</i>' polymorph, two new solvates and monohydrate H~<i>A~</i>","Acta Crystallographica Section C","2015","71","5","394","401","10.1107/S2053229615005847","powder diffraction","","1.5418","CuKα","","0.014","","","","","","","","1.42","","","","","","","has coordinates,has Fobs","136362","2020-10-21","18:00:00",""
"2019942","11.021","0.002","14.95","0.003","15.893","0.003","90","","113.47","0.03","90","","2402","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis[<i>P</i>,<i>P</i>,<i>P</i>',<i>P</i>'-tetraphenylditelluridoimidodiphosphinato-κ^2^<i>Te</i>]tellurium(II)","2,2,4,4,8,8,10,10-Octaphenyl-1λ^3^,5,6λ^4^,7λ^3^,11-pentatellura-3,9-diaza-2λ^5^,4λ^5^,8λ^5^,10λ^5^-tetraphosphaspiro[5.5]undeca-1,3,7,9-tetraene","","- C48 H40 N2 P4 Te5 -","- C48 H40 N2 P4 Te5 -","- C96 H80 N4 P8 Te10 -","2","0.5","YP3092","Chivers, Tristram; Ritch, Jamie S.","A square-planar tellurium(II) complex with <i>Te</i>,<i>Te</i>'-chelating ligands","Acta Crystallographica Section C","2015","71","5","407","409","10.1107/S2053229615007949","","","0.71073","MoKα","","0.0583","0.0342","","","0.0717","0.0825","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","136363","2020-10-21","18:00:00",""
"2019943","10.0579","0.0004","16.3027","0.0006","16.7074","0.0006","110.037","0.003","104.524","0.003","103.208","0.003","2337.83","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene-2κ<i>C</i>^2^]dicarbonyl-1κ<i>C</i>-(1η^5^-cyclopentadienyl)gold(0)iron(II)(<i>Au</i>—<i>Fe</i>) benzene trisolvate","","- C52 H59 Au Fe N2 O2 -","- C52 H59 Au Fe N2 O2 -","- C104 H118 Au2 Fe2 N4 O4 -","2","1","EG3184","Bechtoldt, Alexander; Lerner, Hans-Wolfram; Bolte, Michael","The first example of a two-coordinated Au^I^ atom bonded to an Fe^II^ atom and an N-heterocyclic carbene (NHC) ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500892X","","","0.71073","MoKα","","0.0356","0.0333","","","0.0862","0.0877","","","","","","1.08","","","","has coordinates,has Fobs","136364","2020-10-21","18:00:00",""
"2019944","9.3993","0.0003","4.8638","0.00013","13.2395","0.0004","90","","105.249","0.003","90","","583.95","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0363","0.0317","","","0.0782","0.082","","","","","","1.058","","","","has coordinates,has Fobs","136365","2020-10-21","18:00:00",""
"2019945","9.3382","0.00011","4.84411","0.00005","13.16136","0.00014","90","","105.077","0.0012","90","","574.865","0.011","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","<i>L</i>-Argininium phosphite","<i>L</i>-Argininium phosphite","","- C6 H17 N4 O5 P -","- C6 H17 N4 O5 P -","- C12 H34 N8 O10 P2 -","2","1","YF3083","Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.","<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials","Acta Crystallographica Section C","2015","71","5","415","421","10.1107/S2053229615006956","","","0.71073","MoKα","","0.0326","0.0281","","","0.0675","0.0699","","","","","","1.068","","","","has coordinates","136365","2020-10-21","18:00:00",""
"2019946","6.223","0.001","7.178","0.002","19.732","0.005","90","","90","","90","","881.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Imino-λ^4^-sulfanylidene)[(4-methylphenyl)sulfanyl]amine","4-(4-Methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene","","- C7 H8 N2 S2 -","- C7 H8 N2 S2 -","- C28 H32 N8 S8 -","4","1","QS3045","Jones, Ray","The structure of the first stable monosubstituted sulfur diimide","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008645","","","1.54178","CuKα","","0.0407","0.0373","","","0.0626","0.0651","","","","","","0.996","","","","has coordinates,has Fobs","136366","2020-10-21","18:00:00",""
"2019947","7.2358","0.0001","10.5895","0.0002","17.2664","0.0003","90","","90.674","0.0011","90","","1322.92","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(<i>Z</i>)-2-((<i>E</i>)-1-{6-[1-({[Amino(sulfanidyl-κ<i>S</i>)methylidene]amino}imino-κ<i>N</i>)ethyl]pyridin-2-yl-κ<i>N</i>}ethylidene)-1-cyanohydrazinido-κ<i>N</i>^1^]copper(II)","","- C11 H11 Cu N7 S -","- C11 H11 Cu N7 S -","- C44 H44 Cu4 N28 S4 -","4","1","KU3154","Vieira, Rafael P.; Thompson, John R.; Beraldo, Heloisa; Storr, Tim","Partial conversion of thioamide into nitrile in a copper(II) complex of 2,6-diacetylpyridine bis(thiosemicarbazone), a drug prototype for Alzheimer's disease","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500813X","","","1.54178","CuKα","","0.04","0.0351","","","0.0924","0.0963","","","","","","1.09","","","","has coordinates,has Fobs","136367","2020-10-21","18:00:00",""
"2019948","16.667","0.003","6.48","0.001","10.241","0.002","90","","90","","90","","1106.1","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl <i>N</i>-(2-acetylphenyl)oxalamate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","0.5","UK3109","Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I.","Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation","Acta Crystallographica Section C","2015","71","5","381","385","10.1107/S2053229615006725","","","0.71073","MoKα","","0.0368","0.0323","","","0.0802","0.0833","","","","","","1.046","","","","has coordinates,has Fobs","136368","2020-10-21","18:00:00",""
"2019949","28.4","0.006","9.038","0.0018","14.39","0.003","90","","90","","90","","3693.6","1.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)rhenium(I) methanol monosolvate","","- C17 H18 N3 O5 Re -","- C17 H18 N3 O5 Re -","- C136 H144 N24 O40 Re8 -","8","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0409","0.0275","","","","0.068","","","","","","1.023","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019950","7.4262","0.0011","9.0038","0.0012","13.078","0.0018","108.494","0.004","104.058","0.005","93.363","0.004","795.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(2-{[2-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)ethyl]iminomethyl}-5-methylphenolato-κ<i>O</i>)manganese(I)","","- C16 H14 Mn N3 O4 -","- C16 H14 Mn N3 O4 -","- C32 H28 Mn2 N6 O8 -","2","1","LY3011","Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice","Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate","Acta Crystallographica Section C Structural Chemistry","2015","71","6","","","10.1107/S2053229615008360","","","0.71073","MoKα","","0.0306","0.0274","","","","0.076","","","","","","1.058","","","","has coordinates,has Fobs","136369","2020-10-21","18:00:00",""
"2019951","8.0357","0.0003","5.5554","0.0002","12.8733","0.0005","90","","101.312","0.001","90","","563.52","0.04","100","","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","(<i>E</i>)-2-Hydroxy-4'-methoxyazastilbene","(<i>E</i>)-2-[(4-Methoxybenzylidene)amino]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","SU5124","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene","Acta Crystallographica Section E Crystallographic Communications","2015","71","6","571","","10.1107/S2056989015008348","","","0.71073","MoKα","","0.0369","0.0366","","","0.0993","0.0996","","","","","","1.09","","","","has coordinates,has Fobs","136425","2020-10-21","18:00:00",""
"2019952","14.566","0.0004","15.8567","0.0003","11.0472","0.0003","90","","104.872","0.003","90","","2466.08","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride monohydrate","","- C28 H30 Cl O4 P -","- C28 H30 Cl O4 P -","- C112 H120 Cl4 O16 P4 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0477","0.0427","","","0.1122","0.1166","","","","","","1.037","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019953","17.034","0.0007","5.0747","0.0002","22.6111","0.001","90","","110.917","0.005","90","","1825.75","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2,2',4,4',5,5'-Hexamethoxystilbene","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","FA3369","Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher","A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009110","","","1.54184","CuKα","","0.0605","0.0483","","","0.1389","0.147","","","","","","1.088","","","","has coordinates,has Fobs","136662","2020-10-21","18:00:00",""
"2019954","10.7971","0.0005","11.0286","0.0005","13.7963","0.0006","90","","94.45","0.0016","90","","1637.87","0.13","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Rubidium sodium decavanadate","Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate,","","- H21 Na O38 Rb4 V10 -","- H21 Na O38 Rb4 V10 -","- H42 Na2 O76 Rb8 V20 -","2","0.5","RA5004","Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V.","One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500844X","","","0.71073","MoKα","","0.0413","0.0317","","","0.0635","0.0645","","","","","","1.702","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019955","7.9867","0.0016","8.3516","0.0017","11.604","0.002","90.5","0.03","103.76","0.03","101.4","0.03","735.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-1-[(1<i>H</i>-benzimidazolyl)methyl]-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^}(μ~4~-butanedioato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)(μ~2~-butanedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)dicadmium]","","- C13 H12 Cd N6 O4 -","- C13 H12 Cd N6 O4 -","- C26 H24 Cd2 N12 O8 -","2","1","","Huang, Qiu-Ying; Su, Ming-Yang; Meng, Xiang-Ru","A two-dimensional layered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating mixed multidentate <i>N</i>- and <i>O</i>-donor ligands","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009043","","","0.71073","MoKα","","0.0249","0.0231","","","0.0533","0.0543","","","","","","1.087","","","","has coordinates,has Fobs","136664","2020-10-21","18:00:00",""
"2019956","15.1241","0.0009","6.0111","0.0004","14.3212","0.0009","90","","110.268","0.002","90","","1221.36","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(<i>p</i>-tolyl)-4<i>H</i>-benzo[<i>e</i>][1,3]thiazine","2-(4-Methylphenyl)-4<i>H</i>-1,3-benzothiazine","","- C15 H13 N S -","- C15 H13 N S -","- C60 H52 N4 S4 -","4","1","IS5385","Sandhya, N. C.; Chandra,; Suresha, G. P.; Lokanath, N. K.; Mahendra, M.","Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o74","","10.1107/S205698901402725X","","","1.54178","CuKα","","0.0372","0.0359","","","0.1008","0.1019","","","","","","1.054","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019957","14.0819","0.0007","9.747","0.0005","24.0399","0.0012","90","","90","","90","","3299.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C160 H128 Br8 N8 O16 -","8","1","SU5042","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o121","","10.1107/S2056989014028266","","","1.54178","CuKα","","0.0566","0.0459","","","0.1228","0.1341","","","","","","1.043","","","","has coordinates,has Fobs","136871","2020-10-21","18:00:00",""
"2019958","17.6546","0.0005","6.1464","0.0002","30.0234","0.0009","90","","99.899","0.004","90","","3209.4","0.17","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","chalcone","(<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","SU5060","Shanthi, D.; Vidhyasagar, T.; Rajeswari, K.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o119","","10.1107/S2056989015000523","","","0.71073","MoKα","","0.0649","0.0486","","","0.1252","0.1379","","","","","","1.081","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019959","7.9925","0.0003","12.1761","0.0005","14.2313","0.0006","93.549","0.002","95.52","0.002","101.602","0.002","1345.67","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]benzo[<i>de</i>]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate","","- C30 H25 Cl N2 O5 S -","- C30 H25 Cl N2 O5 S -","- C60 H50 Cl2 N4 O10 S2 -","2","1","HB7354","Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer","Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o129","","10.1107/S2056989015001425","","","0.71073","MoKα","","0.0786","0.0608","","","0.172","0.1907","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","136884","2020-10-21","18:00:00",""
"2019960","6.871","0.0004","10.7188","0.0006","14.9178","0.0007","103.569","0.004","93.094","0.004","105.878","0.005","1019.03","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[1-(2-Hydroxypropyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]benzoic acid","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","HB7338","Jasinski, Jerry P.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o77","","10.1107/S2056989014027078","","","1.54184","CuKα","","0.0574","0.0482","","","0.1269","0.1358","","","","","","1.02","","","","has coordinates,has Fobs","136888","2020-10-21","18:00:00",""
"2019961","12.3449","0.0006","13.4266","0.0006","15.7404","0.0007","72.926","0.004","67.39","0.004","76.824","0.004","2282.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Nitrobenzylidene)amino]phenol","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","4","HB7349","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan","Crystal structure of 4-[(E)-(4-nitrobenzylidene)amino]phenol","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o113","","10.1107/S2056989015000511","","","0.71073","MoKα","","0.1366","0.0697","","","0.1665","0.1967","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","136895","2020-10-21","18:00:00",""
"2019962","10.3202","0.0013","14.3929","0.0013","23.679","0.003","90","","99.157","0.004","90","","3472.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-3,3'-(diazenediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>']cadmium(II)] monohydrate]","","- C34 H38 Cd N10 O5 -","- C34 H38 Cd N10 O5 -","- C136 H152 Cd4 N40 O20 -","4","0.5","YF3085","Zhong, Ya-Qiang; Chen, Si-Chun; Zhang, Lei; Jing, Chu-Yue; Zhang, Kou-Lin","Synthesis, structure and properties of a new three-dimensional interpenetrated metal‒organic framework with 3,3'-azodibenzoic acid (H~2~azdc) and 1,4-bis(1<i>H</i>-imidazol-1-yl)butane (bimb): {[Cd(azdc)(bimb)~2~]·H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009869","","","0.71073","MoKα","","0.076","0.0644","","","0.1516","0.1561","","","","","","1.29","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019963","12.3059","0.0007","12.3943","0.0007","20.45","0.0012","94.385","0.001","97.292","0.001","101.074","0.001","3019.9","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,4-Bibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform semisolvate","(4-Hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone) chloroform hemisolvate","","- C38.5 H32.5 Cl1.5 O3 -","- C38.5 H32.5 Cl1.5 O3 -","- C154 H130 Cl6 O12 -","4","2","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","0.71073","MoKα","","0.0691","0.0455","","","0.1062","0.1157","","","","","","1.033","","","","has coordinates,has Fobs","137438","2020-10-21","18:00:00",""
"2019964","13.653","0.0003","12.0003","0.0002","19.1982","0.0004","90","","90","","90","","3145.43","0.11","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexanol","(4-Hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl)bis(phenylmethanone)","","- C40 H36 O5 -","- C40 H36 O5 -","- C160 H144 O20 -","4","1","BG2554","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.","A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615009857","","","1.54178","CuKα","","0.0362","0.0338","","","0.087","0.0886","","","","","","1.027","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019965","5.8217","0.0004","6.9692","0.0005","23.8602","0.0016","90","","97.299","0.006","90","","960.23","0.12","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitrobenzoate dihydrate","Poly[μ~2~-aqua-aqua-μ~3~-(4-nitrobenzoato)-potassium]","","- C7 H8 K N O6 -","- C7 H8 K N O6 -","- C28 H32 K4 N4 O24 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.033","0.0299","","","0.0712","0.0734","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019966","5.9355","0.0005","7.0456","0.0007","24.204","0.002","90","","98.739","0.008","90","","1000.44","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium 4-nitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-rubidium]","","- C7 H8 N O6 Rb -","- C7 H8 N O6 Rb -","- C28 H32 N4 O24 Rb4 -","4","1","KY3080","Smith, Graham","The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand","Acta Crystallographica Section C","2015","71","6","","","10.1107/S205322961500947X","","","0.71073","MoKα","","0.0432","0.034","","","0.0768","0.0823","","","","","","0.966","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019967","7.787","0.0003","8.1899","0.0002","22.0975","0.0006","90","","90","","90","","1409.26","0.07","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C48 H84 N4 O12 Si4 -","4","1","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0527","0.0472","","","0.1122","0.1163","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019968","15.3969","0.0003","8.1763","0.0001","22.1067","0.0005","90","","90.01","0.002","90","","2783.01","0.09","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C96 H168 N8 O24 Si8 -","8","4","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0432","0.0394","","","0.1017","0.1066","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019969","22.9355","0.0007","8.1571","0.0002","22.123","0.0005","90","","90","","90","","4138.93","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C144 H252 N12 O36 Si12 -","12","3","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0521","0.0426","","","0.0963","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","137549","2020-10-21","18:00:00",""
"2019970","14.8841","0.0001","14.8841","0.0001","3.685","0.0001","90","","90","","120","","706.99","0.02","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Hexaerbium triacontacobalt enneakaidecasilicide","","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","- Co30 Er6 Si19 -","1","0.0833333","","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Misztal, Renata; Pavlyuk, Volodymyr","Grown from lithium flux, the ErCo~5~Si~3.17~ silicide is a combination of disordered derivatives of the UCo~5~Si~3~ and Yb~6~Co~30~P~19~ structure types","Acta Crystallographica Section C","2015","71","6","506","510","10.1107/S2053229615009791","","","0.71073","MoKα","","0.0184","0.0163","","","0.0367","0.0376","","","","","","1.154","","","","has coordinates,has Fobs","137550","2020-10-21","18:00:00",""
"2019971","8.1623","0.0007","12.5953","0.0009","13.251","0.0008","90","","90.226","0.003","90","","1362.28","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate","","- C13 H12 Br N3 O3 -","- C13 H12 Br N3 O3 -","- C52 H48 Br4 N12 O12 -","4","1","SU5132","Sravya, S.; Sruthy, S.; Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","7","734","","10.1107/S2056989015009627","","","0.71073","MoKα","","0.0671","0.036","","","0.0909","0.1022","","","","","","0.989","","","","has coordinates,has Fobs","138433","2020-10-21","18:00:00",""
"2019972","29.2238","0.0013","8.2252","0.0004","12.8789","0.0006","90","","90","","90","","3095.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(I) 0.18-hydrate","","- C15 H17.355 Cl Cu N3 O0.18 -","- C15 H17.3558 Cl Cu N3 O0.178 -","- C120 H138.846 Cl8 Cu8 N24 O1.424 -","8","2","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0533","0.0336","","","0.0586","0.0644","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019973","10.2961","0.0005","10.7435","0.0006","17.5025","0.0009","90","","94.932","0.003","90","","1928.89","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(I)-μ~2~-(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>C</i>^2^,<i>C</i>^3^] perchlorate acetonitrile monosolvate]","","- C17 H20 Cl Cu N4 O4 -","- C17 H20 Cl Cu N4 O4 -","- C68 H80 Cl4 Cu4 N16 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0388","0.0321","","","0.0848","0.0885","","","","","","1.062","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019974","8.3756","0.0003","11.038","0.0004","21.6954","0.0009","90","","100.749","0.001","90","","1970.54","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) dichloromethane monosolvate","","- C16 H19 Cl4 Cu N3 -","- C16 H19 Cl4 Cu N3 -","- C64 H76 Cl16 Cu4 N12 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0432","0.0347","","","0.0814","0.0855","","","","","","1.033","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019975","8.426","0.0012","14.832","0.002","14.007","0.002","90","","101.677","0.002","90","","1714.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Chlorido{(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II) perchlorate","","- C15 H17 Cl2 Cu N3 O4 -","- C15 H17 Cl2 Cu N3 O4 -","- C60 H68 Cl8 Cu4 N12 O16 -","4","1","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0495","0.0397","","","0.0929","0.0981","","","","","","0.977","","","","has coordinates,has Fobs","139182","2020-10-21","18:00:00",""
"2019976","10.3914","0.0002","12.2672","0.0003","26.0083","0.0006","90","","91.485","0.001","90","","3314.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis({(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)) bis(tetraphenylborate)","","- C78 H74 B2 Cl2 Cu2 N6 -","- C78 H74 B2 Cl2 Cu2 N6 -","- C156 H148 B4 Cl4 Cu4 N12 -","2","0.5","SK3587","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010335","","","0.71073","MoKα","","0.0409","0.0319","","","0.0836","0.0894","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","139182","2020-10-21","18:00:00",""
"2019977","7.622","0.005","10.341","0.005","13.682","0.005","85.003","0.005","86.125","0.005","73.369","0.005","1028.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[aqua(μ~4~-benzene-1,2,3-tricarboxylato)[μ~2~-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ~3~-hydroxido)dizinc(II)]","","- C21 H16 N4 O8 Zn2 -","- C21 H16 N4 O8 Zn2 -","- C42 H32 N8 O16 Zn4 -","2","1","FP3012","Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong","A two-dimensional Zn^II^ coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methylidene]hydrazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010657","","","0.71073","MoKα","","0.045","0.0331","","","0.0798","0.0893","","","","","","1.006","","","","has coordinates,has Fobs","139183","2020-10-21","18:00:00",""
"2019978","7.6296","0.0003","7.8839","0.0003","18.1151","0.0008","90","","90","","90","","1089.64","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ~2~-pyrimidine-2-thiolato-κ^4^<i>N</i>^1^,<i>S</i>:<i>S</i>,<i>N</i>^3^)lead(II)]","","- C8 H6 N4 Pb S2 -","- C8 H6 N4 Pb S2 -","- C32 H24 N16 Pb4 S8 -","4","1","SK3588","Schwade, Vania Denise; Lang, Ernesto Schulz; Floriano, Luana","A three-dimensional metal‒organic polymer: poly[bis(μ2-pyrimidine-2-thiolato-κ4N1,S:S,N3)lead(II)]","Acta Crystallographica Section C Structural Chemistry","2015","71","7","1","","10.1107/S2053229615010359","","","0.71073","MoKα","","0.0242","0.0206","","","0.0455","0.0475","","","","","","0.687","","","","has coordinates,has Fobs","139184","2020-10-21","18:00:00",""
"2019979","17.2598","0.0003","21.299","0.0003","22.7585","0.0003","90","","96.378","0.002","90","","8314.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(Cryptand-222)potassium chlorido[<i>meso</i>-tetra(α,α,α,α-<i>o</i>-\ pivalamidophenyl)porphyrinato]manganese tetrahydrofuran monosolvate","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium chlorido[<i>meso</i>-5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato(2-)]manganese(II) tetrahydrofuran monosolvate","","- C86 H108 Cl K Mn N10 O11 -","- C86 H108 Cl K Mn N10 O11 -","- C344 H432 Cl4 K4 Mn4 N40 O44 -","4","1","SK3589","Yu, Qiang; Li, Xiangjun; Liu, Diansheng; Li, Jianfeng","Structural study of a manganese(II) `picket-fence' porphyrin complex","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615009304","","","0.71073","MoKα","","0.069","0.0469","","","0.102","0.1132","","","","","","1.02","","","","has coordinates,has Fobs","139185","2020-10-21","18:00:00",""
"2019980","6.8024","0.0011","10.218","0.002","12.926","0.002","67.584","0.003","87.521","0.004","70.632","0.003","780","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(pipzH~2~)(pyzdc) 4.5(H~2~O)","Piperazine-1,4-diium pyrazine-2,3-dicarboxylate 4.5-hydrate","","- C10 H23 N4 O8.5 -","- C10 H23 N4 O8.5 -","- C20 H46 N8 O17 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0671","0.0517","","","0.1363","0.1502","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2019981","10.2828","0.0005","12.711","0.0007","20.2387","0.001","96.671","0.003","98.2","0.003","112.923","0.004","2368.3","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[pipH2]2[Zn(pyrdc)2(H2O)]2.10H2O","Bis(piperazine-1,4-diium) bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^-bis[aqua(pyrazine-2,3-dicarboxylato-κ^2^<i>N</>^1^,<i>O</i>^2^)zinc(II)] decahydrate","","- C32 H56 N12 O28 Zn2 -","- C32 H56 N12 O28 Zn2 -","- C64 H112 N24 O56 Zn4 -","2","1","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0301","0.0236","","","0.0711","0.0756","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","139186","2020-10-21","18:00:00",""
"2019982","6.5238","0.0002","17.3808","0.0005","10.6599","0.0003","90","","100.656","0.003","90","","1187.87","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^] hexahydrate]","","- C16 H28 Co N6 O14 -","- C16 H28 Co N6 O14 -","- C32 H56 Co2 N12 O28 -","2","0.5","","Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi","Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010761","","","0.71073","MoKα","","0.0283","0.0255","","","0.0661","0.0677","","","","","","1.076","","","","has coordinates,has Fobs","139186","2020-10-21","18:00:00",""
"2019983","13.8742","0.0005","16.5419","0.0006","18.5356","0.0009","90","","110.547","0.001","90","","3983.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua(μ~5~-1,1'-biphenyl-2,2',5,5'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dicadmium(II)] dihydrate]","","- C40 H32 Cd2 N8 O11 -","- C40 H32 Cd2 N8 O11 -","- C160 H128 Cd8 N32 O44 -","4","1","OV3059","Su, Feng; Lu, Li-Ping","A three-dimensional Cd^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',5,5'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010992","","","0.71073","MoKα","","0.0531","0.0335","","","0.0757","0.084","","","","","","1.007","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019984","9.271","0.003","15.786","0.005","17.035","0.006","90","","95.322","0.005","90","","2482.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzil dihydrazone-N,N'-bis(2-chloro-1-formylbenzene)","1-(2-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.0925","0.0501","","","0.1278","0.1495","","","","","","0.952","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019985","11.619","0.004","23.173","0.008","9.165","0.003","90","","90","","90","","2467.6","1.4","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(3-chloro-1-formylbenzene)","1-(3-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C112 H80 Cl8 N16 -","4","0.5","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1266","0.049","","","0.1203","0.1513","","","","","","0.984","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019986","9.661","0.005","11.492","0.006","13.018","0.007","111.04","0.007","109.532","0.007","93.954","0.007","1241.6","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(4-chloro-1-formylbenzene)","1-(4-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine","","- C28 H20 Cl2 N4 -","- C28 H20 Cl2 N4 -","- C56 H40 Cl4 N8 -","2","1","LF3010","Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie","Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010682","","","0.71073","MoKα","","0.1003","0.0578","","","0.1372","0.1582","","","","","","0.914","","","","has coordinates,has Fobs","139273","2020-10-21","18:00:00",""
"2019987","11.7178","0.0014","8.2765","0.0009","37.404","0.004","90","","99.806","0.005","90","","3574.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3-Amino-4-carboxybenzene-1-sulfonato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) 3-amino-4-carboxybenzene-1-sulfonate monohydrate","","- C38 H30 Cu N6 O11 S2 -","- C38 H30 Cu N6 O11 S2 -","- C152 H120 Cu4 N24 O44 S8 -","4","1","YF3088","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0668","0.0428","","","0.0994","0.1093","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019988","8.4858","0.0009","9.9337","0.0011","14.5512","0.0013","90","","120.445","0.005","90","","1057.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquacopper(II)]-μ-3-amino-4-carboxylatobenzene-1-sulfonato-κ^2^<i>O</i>^4^:<i>O</i>^4'^]","","- C7 H9 Cu N O7 S -","- C7 H9 Cu N O7 S -","- C28 H36 Cu4 N4 O28 S4 -","4","1","","Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin","Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011432","","","0.71073","MoKα","","0.0282","0.0237","","","0.0629","0.0653","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019989","7.1462","0.0002","13.1927","0.0005","13.6379","0.0005","94.905","0.003","104.416","0.003","101.579","0.003","1207.42","0.08","298","2","298","","","","","","","","","6","P -1","-P 1","2","","1-(7-Chloroquinolin-4-yl)thiosemicarbazide‒methanol‒water (2/1/1)","","- C10.5 H12 Cl N4 O S -","- C10.5 H12 Cl N4 O S -","- C42 H48 Cl4 N16 O4 S4 -","4","2","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.053","0.0336","","0.0893","","0.0893","","","0.973","","","0.973","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2019990","9.4517","0.0006","7.8839","0.0005","16.5172","0.001","90","","98.477","0.005","90","","1217.35","0.13","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(7-Chloro-1,4-dihydroquinolin-4-ylidene)azaniumyl]thiourea chloride","","- C10 H10 Cl2 N4 S -","- C10 H10 Cl2 N4 S -","- C40 H40 Cl8 N16 S4 -","4","1","FN3197","Machado, Rafael C.; Grazul, Richard M.; Diniz, Renata","1-(7-Chloro-1,4-dihydroquinolin-4-ylidene)thiosemicarbazide and its hydrochloride: evidence for the existence of a stable imine tautomer in the solid state of 4-aminoquinoline free bases, an anomalous case in nitrogen heterocycles","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010311","","","0.7107","MoKα","","0.0934","0.0479","","0.1009","0.0829","0.1029","","","1.05","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019991","10.04","0.002","29.5","0.006","10.966","0.002","90","","94.58","0.03","90","","3237.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-carboxymethyl-4-(dimethylamino)pyridinium [cadmium(II)-tri-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] [[[4-(dimethylamino)pyridinium-1-acetate-κ^2^<i>O</i>,<i>O</i>]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]]","","- C23 H25 Cd2 N9 O4 S5 -","- C23 H25 Cd2 N9 O4 S5 -","- C92 H100 Cd8 N36 O16 S20 -","4","1","YO3008","Wang, Hui-Ting; Zhou, Lin","A one-dimensional Cd^II^ coordination polymer constructed from 4-(dimethylamino)pyridinium-1-acetate ligands and thiocyanate coordination bridges","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011298","","","0.71073","MoKα","","0.1534","0.0708","","","0.0928","0.1106","","","","","","1.062","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2019992","11.441","0.007","3.781","0.002","20.553","0.012","90","","97.444","0.01","90","","881.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]","(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-3-(2-nitrophenyl)prop-2-en-1-ylidene]ethane-1,2-diamine","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","0.5","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.6727","synchrotron","","0.0619","0.0488","","","0.1209","0.1245","","","","","","0.972","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019993","9.1038","0.0008","13.8186","0.0012","15.2972","0.0014","104.783","0.0014","102.678","0.0014","91.3","0.0014","1809","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{(1<i>E</i>,1'<i>E</i>,2<i>E</i>,2'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-\ diyl)bis[3-(2-nitrophenyl)prop-2-en-1-imine]-\ κ^2^<i>N</i>,<i>N</i>'}(thiocyanato-κ<i>N</i>)(triphenylphosphane-\ κ<i>P</i>)copper(I)]","","- C39 H33 Cu N5 O4 P S -","- C39 H33 Cu N5 O4 P S -","- C78 H66 Cu2 N10 O8 P2 S2 -","2","1","LG3171","Clegg, William; Harrington, Ross W.; Barati, Kazem; Habibi, Mohammad Hossein; Montazerozohori, Morteza; Lalegani, Arash","Synthesis, characterization and crystal structures of the bidentate Schiff base <i>N</i>,<i>N</i>'-bis(2-nitrocinnamaldehyde)ethylenediamine and its complex with CuNCS and triphenylphosphane","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010815","","","0.71073","MoKα","","0.0754","0.0687","","","0.1274","0.1296","","","","","","1.346","","","","has coordinates,has Fobs","139368","2020-10-21","18:00:00",""
"2019994","21.7231","0.0019","5.6603","0.0004","32.075","0.003","90","","98.95","0.008","90","","3895.9","0.6","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Leucinium hydrogen maleate","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C120 H204 N12 O72 -","12","3","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.2503","0.0868","","","0.1129","0.1624","","","","","","0.94","","","","has coordinates,has Fobs","139369","2020-10-21","18:00:00",""
"2019995","11.5217","0.0009","5.9974","0.0003","19.3426","0.0012","90","","95.848","0.006","90","","1329.62","0.15","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Lisinium hydrogen maleate hemihydrate","","- C10 H18 N O6.5 -","- C10 H18 N O6.5 -","- C40 H72 N4 O26 -","4","2","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.1134","0.0643","","","0.1006","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2019996","12.2269","0.0006","5.30779","0.00017","15.4678","0.0006","90","","113.055","0.005","90","","923.65","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Norvalinium hydrogen maleate‒<i>L</i>-norvaline (1/1)","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","1","SK3586","Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.","New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615010888","","","0.71073","MoKα","","0.0569","0.048","","","0.1058","0.1136","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","139369","2020-10-21","18:00:00",""
"2019997","12.4953","0.001","10.8683","0.0008","6.8075","0.0005","90","","90","","90","","924.48","0.12","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride","","- Gd4 O9 Si2 Te -","- Gd4 O9 Si2 Te -","- Gd16 O36 Si8 Te4 -","4","0.5","FP3011","Daszkiewicz, Marek; Gulay, Lubomir D.","Accidental formation of Gd~4~(SiO~4~)~2~OTe: crystal structure and spectroscopic properties","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011651","","","0.71073","MoKα","","0.0293","0.0199","","","0.0363","0.0385","","","","","","1.1","","","","has coordinates,has Fobs","139464","2020-10-21","18:00:00",""
"2019998","13.4314","0.0004","8.2405","0.0004","29.9252","0.0009","90","","90","","90","","3312.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one","","- C18 H14 Cl2 O -","- C18 H14 Cl2 O -","- C144 H112 Cl16 O8 -","8","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0994","0.058","","","0.1747","0.2063","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2019999","6.6259","0.0008","8.6868","0.0011","30.472","0.004","90","","91.765","0.004","90","","1753.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5<i>RS</i>)-3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]cyclohex-2-en-1-one","","- C21 H21 Cl O -","- C21 H21 Cl O -","- C84 H84 Cl4 O4 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.114","0.059","","","0.1174","0.1376","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020000","17.4871","0.0011","11.59","0.0008","10.0167","0.0007","90","","95.3","0.002","90","","2021.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>, 6<i>SR</i>)-4-(4-chlorophenyl)-6-[4-(propan-2-yl)phenyl]-2-oxocyclohex-3-ene-1-carboxylate","","- C23 H23 Cl O3 -","- C23 H23 Cl O3 -","- C92 H92 Cl4 O12 -","4","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.091","0.0592","","","0.1372","0.1609","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020001","10.0725","0.0003","12.5793","0.0003","14.9438","0.0004","104.332","0.001","92.467","0.001","94.565","0.001","1824.84","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4''-bromo-4-fluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C21 H16 Br F O3 -","- C21 H16 Br F O3 -","- C84 H64 Br4 F4 O12 -","4","2","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0771","0.0426","","","0.103","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","139704","2020-10-21","18:00:00",""
"2020002","23.461","0.005","5.5965","0.0013","17.068","0.003","90","","96.544","0.013","90","","2226.4","0.8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-((2-(pyridin-2-yl)hydrazono)methyl)pyridin-2-yl)methanol","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C96 H96 N32 O8 -","8","1","","Soto-Monsalve, Monica; Cabrera-Espinoza, Andrea; Grande, Carlos D.; D'Vries, Richard F.; Chaur, Manuel N.","Synthesis and characterization of (6-{[2-(pyridin-2-yl)hydrazinylidene]methyl}pyridin-2-yl)methanol: a supramolecular and topological study","Acta Crystallographica Section C","2015","71","7","631","635","10.1107/S2053229615010062","","","0.71073","MoKα","","0.0929","0.043","","","0.098","0.1088","","","","","","0.833","","","","has coordinates","171462","2020-10-21","18:00:00",""
"2020003","23.1681","0.0011","13.0753","0.0006","13.2643","0.0006","90","","97.251","0.003","90","","3986","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-<i>N</i>^1^,<i>N</i>^4^-bis(pyridin-3-yl)terephthalamide]bis(μ~3~-4,4'-oxydibenzoato)dizinc(II)]","","- C46 H30 N4 O12 Zn2 -","- C46 H30 N4 O12 Zn2 -","- C184 H120 N16 O48 Zn8 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0285","0.0251","","","0.0707","0.0725","","","","","","1.052","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020004","27.0043","0.001","7.9145","0.0003","17.9803","0.0006","90","","129.491","0.002","90","","2965.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-<i>N</i>^4^,<i>N</i>^4'^-bis(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide]dicadmium(II)] dihydrate]","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C128 H104 Cd4 N16 O32 -","4","0.5","WQ3090","Luo, Feng; Zhang, Xiao-Jing; Wu, Xiao-Liu; Feng, Xue-Feng","Synthesis, structure and luminescence properties of two new acylamide metal‒organic frameworks showing 4-connected CdSO~4~ and a threefold interpenetrating <b>dia</b> net","Acta Crystallographica Section C","2015","71","7","636","642","10.1107/S2053229615011699","","","0.71073","MoKα","","0.0599","0.0566","","","0.1751","0.1809","","","","","","1.059","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020005","33.2283","0.0019","6.6469","0.0004","7.4241","0.0004","90","","91.299","0.005","90","","1639.3","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-phenylalaninato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C17 H17 N O4 Zn -","- C17 H17 N O4 Zn -","- C68 H68 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0465","0.0382","","","0.0732","0.0778","","","","","","0.986","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020006","6.479","0.0004","7.6577","0.0004","30.7746","0.0019","90","","90","","90","","1526.86","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-leucinato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C14 H19 N O4 Zn -","- C14 H19 N O4 Zn -","- C56 H76 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0739","0.0689","","","0.1315","0.135","","","","","","1.166","","","","has coordinates,has Fobs","139728","2020-10-21","18:00:00",""
"2020007","3.8106","0.0003","3.8106","0.0003","21.719","0.002","90","","90","","120","","273.12","0.04","291.6","0.8","291.6","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium scandium sulfide","","- K S2 Sc -","- K S2 Sc -","- K3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0285","0.025","","","0.0625","0.0638","","","","","","1.92","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020008","3.8299","0.0006","3.8299","0.0006","22.656","0.003","90","","90","","120","","287.8","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rubidium scandium sulfide","","- Rb S2 Sc -","- Rb S2 Sc -","- Rb3 S6 Sc3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.033","0.0329","","","0.0677","0.0677","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020009","4.1626","0.0003","4.1626","0.0003","21.8996","0.0019","90","0.006","90","0.006","120","0.007","328.62","0.05","301.2","0.4","301.2","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium neodymium sufide","","- K Nd S2 -","- K Nd S2 -","- K3 Nd3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0096","0.0096","","","0.0098","0.0098","","","","","","0.6","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020010","4.1174","0.0006","4.1174","0.0006","21.888","0.003","90","","90","","120","","321.35","0.08","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium samarium sulfide","","- K S2 Sm -","- K S2 Sm -","- K3 S6 Sm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0312","0.0312","","","0.0686","0.0686","","","","","","1.86","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020011","4.0523","0.0007","4.0523","0.0007","21.885","0.003","90","","90","","120","","311.23","0.09","295","0.9","295","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium terbium sulfide","","- K S2 Tb -","- K S2 Tb -","- K3 S6 Tb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0167","0.0167","","","0.0351","0.0351","","","","","","0.97","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020012","4.0315","0.0011","4.0315","0.0011","21.89","0.005","90","","90","","120","","308.11","0.14","293.5","0.6","293.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium dysprosium sulfide","","- Dy K S2 -","- Dy K S2 -","- Dy3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0519","0.0516","","","0.105","0.105","","","","","","2.32","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020013","4.0098","0.0004","4.0098","0.0004","21.878","0.002","90","","90","","120","","304.64","0.05","303.3","0.3","303.3","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium holmium sulfide","","- Ho K S2 -","- Ho K S2 -","- Ho3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0308","0.0204","","","0.0497","0.0597","","","","","","1.56","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020014","3.9935","0.0004","3.9935","0.0004","21.866","0.002","90","","90","","120","","302","0.05","296","6","296","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium erbium sulfide","","- Er K S2 -","- Er K S2 -","- Er3 K3 S6 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0267","0.0267","","","0.0642","0.0642","","","","","","1.81","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020015","3.9761","0.0005","3.9761","0.0005","21.841","0.003","90","","90","","120","","299.03","0.07","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium thulium sulfide","","- K S2 Tm -","- K S2 Tm -","- K3 S6 Tm3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0162","0.0162","","","0.0395","0.0395","","","","","","1.12","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020016","3.9615","0.0008","3.9615","0.0008","21.81","0.003","90","","90","","120","","296.42","0.09","301","0.15","301","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium ytterbium sulfide","","- K S2 Yb -","- K S2 Yb -","- K3 S6 Yb3 -","3","0.0833333","FA3364","Havlák, Lubomír; Fábry, Jan; Henriques, Margarida; Dušek, Michal","Structure determination of KScS~2~, RbScS~2~ and KLnS~2~ (Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal‒chemical discussion","Acta Crystallographica Section C","2015","71","7","623","630","10.1107/S2053229615011833","","","0.71073","MoKα","","0.0287","0.0287","","","0.0691","0.0691","","","","","","1.65","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020017","22.2647","0.0016","14.6139","0.0011","18.6288","0.0014","90","","102.447","0.001","90","","5918.9","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[1,1'''-Bis(pyrimidin-2-yl)-4,4':2',2'':4'',4'''-quaterpyridine-1,1'''-diium-κ^2^<i>N</i>^1'^,<i>N</i>^1''^]bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","","- C56 H45 F18 Ir N13 P3 -","- C56 H45 F18 Ir N13 P3 -","- C224 H180 F72 Ir4 N52 P12 -","4","1","ZL2625","Coe, Benjamin J.; Peers, Martyn K.; Raftery, James; Scrutton, Nigel S.","Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","8","879","","10.1107/S2056989015012463","","","0.71073","MoKα","","0.052","0.0407","","","0.0891","0.0926","","","","","","0.998","","","","has coordinates,has Fobs","139968","2020-10-21","18:00:00",""
"2020018","7.9551","0.0007","8.878","0.0008","13.9793","0.0012","101.246","0.0012","90.5899","0.0012","115.42","0.001","869.65","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.047","0.0415","","","0.1097","0.1158","","","","","","1.056","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020019","7.9881","0.0012","8.9052","0.0013","14.053","0.003","101.185","0.003","90.964","0.003","114.909","0.002","884","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.0648","0.0508","","","0.1351","0.1475","","","","","","1.066","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020020","8.0257","0.0009","8.9366","0.0011","14.1268","0.0017","101.023","0.0019","91.2751","0.0019","114.542","0.0017","898.78","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1)","2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C34 H44 N4 O8 S2 -","2","1","FN3199","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both?","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012826","","","0.71073","MoKα","","0.077","0.0552","","","0.1458","0.1655","","","","","","1.017","","","","has coordinates,has Fobs","140983","2020-10-21","18:00:00",""
"2020021","7.8881","0.0009","14.0296","0.0017","20.81","0.003","90","","91.749","0.007","90","","2301.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.1662","0.0702","","","0.1492","0.1862","","","","","","0.92","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020022","15.7925","0.0011","13.7715","0.0004","11.3887","0.0003","90","","94.35","0.007","90","","2469.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C96 H96 Cl8 N24 O24 -","8","2","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71075","MoKα","","0.0395","0.0337","","","0.0847","0.087","","","","","","1.074","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020023","9.274","0.004","4.1096","0.0018","16.104","0.007","90","","97.813","0.009","90","","608.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C12 H12 Cl N3 O3 -","- C12 H12 Cl N3 O3 -","- C24 H24 Cl2 N6 O6 -","2","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","1.54187","CuKα","","0.0362","0.0343","","","0.0814","0.0822","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020024","19.7273","0.0013","7.6749","0.0003","9.3882","0.0003","90","","90","","90","","1421.42","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4<i>S</i>)-<i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]-<i>N</i>,3-dimethyl-2-oxo-1,3-oxazolidine-4-carbohydrazide","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","1","UK3114","Nogueira, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Weak C—H···O and C—H···π hydrogen bonds and π‒π stacking interactions in a series of four <i>N</i>'-[(<i>E</i>)-(aryl)methylidene]-<i>N</i>-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012450","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.058","","","","","","1.061","","","","has coordinates,has Fobs","140984","2020-10-21","18:00:00",""
"2020025","35.847","0.003","7.3242","0.0005","22.995","0.002","90","","117.882","0.003","90","","5336.5","0.8","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide)","","- C28 H20 N10 O2 -","- C28 H20 N10 O2 -","- C224 H160 N80 O16 -","8","1","LY3016","Setifi, Fatima; Geiger, David K.; Abdul Razak, Ibrahim; Setifi, Zouaoui","Multiple N—H···NC, C—H···NC and nitrile···π interactions in 4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): structure determination and DFT calculations of anion···π cation interaction energies","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012437","","","0.71073","MoKa","","0.0562","0.0384","","","0.104","0.1183","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","140985","2020-10-21","18:00:00",""
"2020036","13.4809","0.0006","14.3767","0.0007","6.2095","0.0003","90","","95.57","0.001","90","","1197.79","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","anisole","Methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","YF3090","Seidel, Rüdiger W.; Goddard, Richard","Anisole at 100K: the first crystal structure determination","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012553","","","1.54178","CuKα","","0.0384","0.0372","","","0.1109","0.1119","","","","","","1.127","","","","has coordinates,has Fobs","141456","2020-10-21","18:00:00",""
"2020037","6.9826","0.0014","14.909","0.003","10.417","0.002","90","","99.3","0.03","90","","1070.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]]","","- C7 H10 Cd Cl2 N2 O2 -","- C7 H10 Cd Cl2 N2 O2 -","- C28 H40 Cd4 Cl8 N8 O8 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0236","0.0201","","","0.051","0.0526","","","","","","1.095","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020038","15.338","0.003","6.1963","0.0012","20","0.008","90","","121.09","0.02","90","","1627.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-poly[[[aquacadmium(II)]-bis(μ-4-aminobenzoato)-\ κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>] monohydrate]","","- C14 H16 Cd N2 O6 -","- C14 H16 Cd N2 O6 -","- C56 H64 Cd4 N8 O24 -","4","0.5","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0311","0.0299","","","0.0796","0.0807","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020039","21.143","0.004","8.0696","0.0016","21.473","0.004","90","","90","","90","","3663.6","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C38 H34 Cd2 N6 O8 -","- C38 H34 Cd2 N6 O8 -","- C152 H136 Cd8 N24 O32 -","4","1","LF3012","Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng","Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012371","","","0.71073","MoKα","","0.0372","0.0304","","","0.0661","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","141457","2020-10-21","18:00:00",""
"2020040","14.1963","0.0008","14.8203","0.0009","18.7386","0.0009","90","","102.663","0.005","90","","3846.6","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-1'-{<i>N</i>-[1-(Anthracen-9-yl)-2-(<i>tert</i>-butylamino)-2-oxoethyl]-<i>N</i>-(4-methoxyphenyl)carbamoyl}ferrocene-1-carboxylic acid dichloromethane disolvate","","- C41 H40 Cl4 Fe N2 O5 -","- C41 H40 Cl4 Fe N2 O5 -","- C164 H160 Cl16 Fe4 N8 O20 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.1111","0.0638","","","0.1231","0.1588","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020041","13.0787","0.0003","14.4271","0.0004","16.1873","0.0004","90","","93.491","0.002","90","","3048.68","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>S</i>)-2-(Anthracen-9-yl)-<i>N</i>-<i>tert</i>-butyl-2-[<i>N</i>-(4-methylphenyl)ferrocenylformamido]acetamide","","- C38 H36 Fe N2 O2 -","- C38 H36 Fe N2 O2 -","- C152 H144 Fe4 N8 O8 -","4","1","KY3081","Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun","Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012322","","","0.7107","MoKα","","0.0596","0.0413","","","0.0802","0.0908","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020049","10.174","0.002","20.843","0.004","13.274","0.003","90","","100.4","0.03","90","","2768.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[{μ-1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>'}(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] dimethylformamide monosolvate pentahydrate]","","- C23 H31 N5 O12 Zn -","- C23 H31 N5 O12 Zn -","- C92 H124 N20 O48 Zn4 -","4","1","","Huang, Qiu-Ying; Yang, Yi; Meng, Xiang-Ru","A new two-dimensional Zn^II^ coordination polymer constructed by a multidentate N-heterocyclic ligand and 5-carboxybenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013224","","","0.71073","MoKα","","0.0694","0.0598","","","0.1444","0.1517","","","","","","1.064","","","","has coordinates,has Fobs","152104","2020-10-21","18:00:00",""
"2020050","5.4","0.0016","5.6093","0.0017","9.132","0.003","80.688","0.006","72.99","0.005","80.08","0.005","258.73","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimercury(II) divanadium(V) ditellurium(IV) undecaoxide","","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","- Hg2 O11 Te2 V2 -","1","0.5","KY3085","Weil, Matthias","A linear bridging angle in the pyrovanadate group within the crystal structure of Hg~2~V~2~Te~2~O~11~","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013406","","","0.71073","MoKα","","0.028","0.0269","","","0.0656","0.0661","","","","","","1.044","","","","has coordinates,has Fobs","152105","2020-10-21","18:00:00",""
"2020051","8.4892","0.0001","12.1555","0.0002","12.0631","0.0002","90","","90","","90","","1244.8","0.03","300","2","299.93","","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","0.5","LG3170","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0201","0.0193","","","0.0521","0.0529","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","152106","2020-10-21","18:00:00",""
"2020052","16.7032","0.0006","12.0743","0.0004","12.0288","0.0004","90","","90","","90","","2425.96","0.14","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C48 H144 Cl8 Co8 N48 O32 -","8","1","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0194","0.0179","","","0.0548","0.0563","","","","","","1.074","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020053","8.856","0.004","11.95","0.005","11.75","0.004","90","","90","0.013","90","","1243.5","0.9","100","","100","","","","","","","","","6","A 2 1 1","A 2y","5","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C24 H72 Cl4 Co4 N24 O16 -","4","","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0365","0.0337","","","0.0687","0.0701","","","","","","1.053","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020054","8.887","0.006","9.118","0.005","10.099","0.004","111.034","0.013","115.407","0.009","92.872","0.013","669.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[chloridobismuth(III)]-μ~3~-1,10-phenanthroline-2,9-dicarboxylato-κ^5^<i>O</i>^2^:<i>N</i>^1^,<i>N</i>^10^,<i>O</i>^9^:<i>O</i>^9^]","","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","- C28 H12 Bi2 Cl2 N4 O8 -","1","0.5","KU3161","Feng, Yu-Quan; Hu, Yu-Long; Wang, Hong-Wei; Cao, Feng-Pu","A new linear bismuth coordination polymer based on 1,10-phenanthroline-2,9-dicarboxylic acid: ionothermal synthesis, crystal structure and fluorescence properties","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501308X","","","0.71073","MoKα","","0.0308","0.0272","","","0.0666","0.0684","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2020055","16.4083","0.0009","17.639","0.002","21.6604","0.0013","90","","94.477","0.006","90","","6250","0.9","100","0.2","100","0.2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[copper(I)-μ-1,3-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propane] methanesulfonate dichloromethane 0.6-solvate]","","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C26.6 H19.2 Cl1.2 Cu F3 N6 O5 S3 -","- C212.8 H153.6 Cl9.6 Cu8 F24 N48 O40 S24 -","8","1","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0767","0.0554","","","0.1491","0.1648","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020056","11.1554","0.0008","11.509","0.0009","13.6722","0.0011","68.55","0.008","81.603","0.006","76.089","0.006","1582.6","0.2","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1.5/1)","","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","- C54.5 H47 B2 Cl3 Cu2 F8 N12 O5 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.0934","0.0669","","","0.1735","0.1983","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2020057","11.2499","0.0011","11.5798","0.0011","13.6976","0.0015","67.635","0.01","81.106","0.009","75.524","0.008","1594.3","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Bis(μ-1,4-bis{[5-(quinolin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}butane)dicopper(I) bis(perchlorate)‒dichloromethane‒methanol (1/2/1)","","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","- C55 H48 Cl6 Cu2 N12 O13 S4 -","1","0.5","WQ3091","Wu, Xiang-Wen; Wu, Wan-Fu; Yin, Shi; Ma, Jian-Ping","Syntheses and structures of one Cu^I^-containing coordination polymer and two macrocyclic supramolecular complexes based on flexible 1,3,4-oxadiazole-containing ligands","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615012929","","","0.7107","MoKα","","0.1627","0.0855","","","0.1923","0.2513","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","152108","2020-10-21","18:00:00",""
"2020058","9.5274","0.0008","15.4463","0.0013","12.7366","0.0011","90","","98.731","0.001","90","","1852.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tris(diglyme-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')potassium 1,2-dihydrocorannulenide","Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']potassium hexacyclo[11.5.2.0^4,17^.0^7,16^.0^10,15^.0^14,18^]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide","","- C38 H54 K O9 -","- C38 H54 K O9 -","- C76 H108 K2 O18 -","2","1","FA3372","Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A.","Monoreduced 1,2-dihydrocorannulene <i>versus</i> the parent corannulene","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013145","","","0.71073","MoKα","","0.1038","0.0666","","","0.156","0.1774","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","152109","2020-10-21","18:00:00",""
"2020059","10.334","0.0002","15.9714","0.0004","25.3074","0.0007","90","","93.277","0.001","90","","4170.12","0.18","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[]bis(methanolato-κ<i>O</i>)[μ~5~-5,10,15,20-tetrakis(pyridin-4-yl)porphyrin-κ^8^1κ<i>N</i>^5^:1'κ<i>N</i>^10^:1''κ<i>N</i>^15^:1'''κ<i>N</i>^20^:2κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(I)tin(II)] dichloridocuprate(I)],","","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C42 H30 Cl2 Cu2 N8 O2 Sn -","- C168 H120 Cl8 Cu8 N32 O8 Sn4 -","4","1","YO3011","Titi, Hatem M.; Goldberg, Israel","Diamondoid framework solid with Sn(OCH~3~)~2~‒tetrapyridylporphyrin linkers, Cu^I^ nodes and [Cu^I^Cl~2~]^{-^} counter-ions","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013327","","","0.71073","MoKα","","0.0619","0.0499","","","0.1304","0.1353","","","","","","1.039","","","","has coordinates,has Fobs","152110","2020-10-21","18:00:00",""
"2020060","9.5268","0.0012","13.0566","0.0017","13.4593","0.0017","94.401","0.002","97.385","0.002","107.762","0.002","1569.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 4'-(4-bromophenyl)-1''-methyl-2,2''-dioxo-5'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C36 H31 Br N2 O5 -","- C36 H31 Br N2 O5 -","- C72 H62 Br2 N4 O10 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.1187","0.0664","","","0.1714","0.2032","","","","","","0.991","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020061","9.0986","0.0007","9.7185","0.0007","16.5056","0.0013","78.915","0.001","75.763","0.001","67.687","0.001","1300.77","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","5'-(4-Bromophenyl)-1,1''-dimethyl-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C32 H25 Br N2 O3 -","- C32 H25 Br N2 O3 -","- C64 H50 Br2 N4 O6 -","2","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.0573","0.0413","","","0.101","0.1089","","","","","","1.024","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020062","10.1226","0.0009","14.3682","0.0013","21.353","0.002","90","","91.799","0.002","90","","3104.1","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 1''-methyl-2,2''-dioxo-4'-phenyl-5'-(<i>p</i>-tolyl)-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-1-carboxylate","","- C37 H34 N2 O5 -","- C37 H34 N2 O5 -","- C148 H136 N8 O20 -","4","1","LG3172","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three structures of dispirooxindole derivatives generated <i>in situ</i> through a three-component one-pot strategy with complete regio- and stereoselectivity","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013273","","","0.71073","MoKα","","0.059","0.049","","","0.1266","0.1344","","","","","","1.036","","","","has coordinates,has Fobs","152266","2020-10-21","18:00:00",""
"2020063","7.7042","0.0015","14.457","0.003","17.549","0.004","90","","90","","90","","1954.6","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Poly[4-dimethylamino-1-ethylpyridin-1-ium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C15 H15 Cd N11 -","- C15 H15 Cd N11 -","- C60 H60 Cd4 N44 -","4","0.5","YO3009","Wang, Hui-Ting; Zhou, Lin; Wang, Xiao-Li","A two-dimensional anionic Cd^II^ polymer constructed through dicyanamide coordination bridges","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013315","","","0.71073","MoKα","","0.0602","0.0448","","","0.0923","0.0982","","","","","","1.188","","","","has coordinates,has Fobs","152267","2020-10-21","18:00:00",""
"2020064","10.44","0.002","7.7444","0.0015","18.161","0.004","90","","95.16","0.03","90","","1462.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Cd N O -","- C8 H20 Br3 Cd N O -","- C32 H80 Br12 Cd4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0582","0.0446","","","0.0985","0.1037","","","","","","1.213","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020065","10.373","0.002","7.862","0.0016","17.984","0.004","90","","94.85","0.03","90","","1461.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]]","","- C8 H20 Br3 Hg N O -","- C8 H20 Br3 Hg N O -","- C32 H80 Br12 Hg4 N4 O4 -","4","1","WQ3095","Wang, Dong-Yan; Hou, Xue-Li; Li, Xue-Nan","Isostructural organic‒inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013303","","","0.71073","MoKα","","0.0763","0.0492","","","0.1028","0.1115","","","","","","1.115","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020066","11.873","0.0006","5.2291","0.0002","15.3459","0.0009","90","","106.602","0.004","90","","913.03","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(<i>L</i>-cysteinium) <i>L</i>-cysteine difluoride hydrogen fluoride","Bis(<i>L</i>-cysteinium) difluoride‒<i>L</i>-cysteine‒hydrogen fluoride (1/1/1)","","- C9 H24 F3 N3 O6 S3 -","- C9 H24 F3 N3 O6 S3 -","- C18 H48 F6 N6 O12 S6 -","2","1","YF3089","Minkov, V. S.; Ghazaryan, V. V.; Boldyreva, E. V.; Petrosyan, A. M.","Unusual hydrogen bonding in <small>L</small>-cysteine hydrogen fluoride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013601","","","0.71073","MoKα","","0.0334","0.0288","","","0.0626","0.0638","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020067","7.994","0.0004","9.0648","0.0004","10.7692","0.0006","109.136","0.004","109.397","0.004","97.32","0.004","670.52","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.094","0.0515","","","0.1257","0.1503","","","","","","1.002","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020068","12.2264","0.0011","9.8581","0.0007","15.8735","0.0013","90","","112.129","0.01","90","","1772.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4<i>H</i>)-one","","- C9 H7 N O2 S -","- C9 H7 N O2 S -","- C72 H56 N8 O16 S8 -","8","2","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0748","0.0437","","","0.0948","0.1107","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020069","8.846","0.0002","9.9951","0.0002","11.2435","0.0002","114.481","0.001","98.564","0.001","105.891","0.001","830.15","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-phenyl-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C20 H15 N3 O S -","- C20 H15 N3 O S -","- C40 H30 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0568","0.0409","","","0.1021","0.1131","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020070","9.1697","0.0005","10.7939","0.0005","11.0837","0.0006","66.424","0.002","66.147","0.003","67.934","0.002","889.13","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C42 H34 N6 O2 S2 -","2","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0506","0.0436","","","0.0938","0.1001","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020071","8.2717","0.0002","17.453","0.0003","23.3501","0.0005","90","","90","","90","","3370.96","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C19 H13 N3 O S2 -","- C19 H13 N3 O S2 -","- C152 H104 N24 O8 S16 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0543","0.0428","","","0.1098","0.1195","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020072","16.6123","0.0003","9.7589","0.0002","17.7543","0.0004","90","","90","","90","","2878.29","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (2<i>Z</i>)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0632","0.0454","","","0.1066","0.1177","","","","","","1.065","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020073","7.1457","0.0014","26.002","0.005","10.043","0.002","90","","94.36","0.03","90","","1860.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κ^4^<i>N</i>)octakis-μ~2~-thiocyanato-κ^8^<i>N</i>:<i>S</i>;κ^8^<i>S</i>:<i>N</i>-tricadmium(II)]","","- C24 H28 Cd3 N14 S8 -","- C24 H28 Cd3 N14 S8 -","- C48 H56 Cd6 N28 S16 -","2","0.5","KU3162","Wang, Hui-Ting; Li, Qiang; Zhou, Lin","A two-dimensional cadmium(II) coordination polymer based on 1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S205322961501431X","","","0.71073","MoKα","","0.0575","0.0391","","","0.0622","0.0666","","","","","","1.078","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020074","10.3336","0.0004","14.3984","0.001","15.2649","0.0008","90.673","0.005","98.12","0.004","110.761","0.005","2097.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[(dimethylformamide-κ<i>O</i>)[μ~3~-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^](methanol-κ<i>O</i>)manganese(III)] dimethylformamide monosolvate]","","- C47 H41 Mn N3 O9 -","- C47 H41 Mn N3 O9 -","- C94 H82 Mn2 N6 O18 -","2","1","DT3035","Wang, Jing; Jia, Chunmei; Feng, Xiao; Yuan, Wenbing","A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014217","","","0.71073","MoKα","","0.0762","0.0463","","","0.0921","0.1058","","","","","","1.043","","","","has coordinates,has Fobs","153017","2020-10-21","18:00:00",""
"2020075","10.7466","0.0003","10.7589","0.0003","15.0842","0.0004","103.436","0.002","93.315","0.002","108.019","0.002","1597.19","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl","","- C44 H34 O2 -","- C44 H34 O2 -","- C88 H68 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0779","0.0422","","","0.097","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020076","9.1196","0.0005","9.5474","0.0005","11.992","0.0006","105.682","0.002","90.853","0.002","117.642","0.002","878.39","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","2,2''-Bis(hydroxydiphenylmethyl)-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C47 H41 N O3 -","- C47 H41 N O3 -","- C47 H41 N O3 -","1","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0721","0.0703","","","0.1988","0.2001","","","","","","1.067","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020077","9.4052","0.0003","13.1823","0.0005","15.6828","0.0005","79.371","0.002","80.965","0.002","74.371","0.002","1828.49","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl","","- C48 H42 O2 -","- C48 H42 O2 -","- C96 H84 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0932","0.0474","","","0.0991","0.1194","","","","","","1.003","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020078","8.9604","0.0003","10.8542","0.0004","22.0219","0.0008","92.689","0.002","93.978","0.002","113.2","0.002","1957.42","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl dimethylformamide monosolvate","","- C51 H49 N O3 -","- C51 H49 N O3 -","- C102 H98 N2 O6 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.0686","0.0477","","","0.1255","0.1419","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","153310","2020-10-21","18:00:00",""
"2020079","7.9452","0.0002","14.2079","0.0004","17.8589","0.0005","83.687","0.002","78.583","0.002","76.417","0.002","1916.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2''-Bis[hydroxybis(4-methylphenyl)methyl]-1,1':4',1''-terphenyl acetonitrile monosolvate","","- C50 H45 N O2 -","- C50 H45 N O2 -","- C100 H90 N2 O4 -","2","1","LY3017","Klien, Hendrik; Seichter, Wilhelm; Skobridis, Konstantinos; Weber, Edwin","Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014035","","","0.71073","MoKα","","0.1003","0.0582","","","0.1368","0.1591","","","","","","1.02","","","","has coordinates,has Fobs","153310","2020-10-21","18:00:00",""
"2020080","10.2561","0.0018","17.088","0.003","22.205","0.004","90","","90","","90","","3891.6","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II)","","- C18 H17 Co I N4 O4 -","- C18 H17 Co I N4 O4 -","- C144 H136 Co8 I8 N32 O32 -","8","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.0756","0.04","","","0.0789","0.0895","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020081","7.991","0.0009","17.8363","0.0019","18.2004","0.0017","90","","110.08","0.004","90","","2436.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-iodobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] trihydrate]","","- C18 H23 I N4 O7 Zn -","- C18 H23 I N4 O7 Zn -","- C72 H92 I4 N16 O28 Zn4 -","4","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.1309","0.0646","","","0.1735","0.2161","","","","","","0.973","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020082","10.0302","0.0003","10.6172","0.0003","16.2428","0.0006","90","","90","","90","","1729.74","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C13 H22 N2 S Si2 -","- C13 H22 N2 S Si2 -","- C52 H88 N8 S4 Si8 -","4","1","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.0975","0.0479","","","0.0883","0.1041","","","","","","1.012","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020083","9.8057","0.0002","15.8032","0.0004","15.8658","0.0005","90","","93.859","0.001","90","","2453.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Trimethylsilyl-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C10 H14 N2 S Si -","- C10 H14 N2 S Si -","- C80 H112 N16 S8 Si8 -","8","2","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.1082","0.0493","","","0.1139","0.1376","","","","","","1.002","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020084","7.4534","0.0003","17.4357","0.0005","10.7079","0.0004","90","","101.479","0.004","90","","1363.71","0.09","100.4","0.6","100.4","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","- C15 H14 Cl N O S -","- C15 H14 Cl N O S -","- C60 H56 Cl4 N4 O4 S4 -","4","1","DT3034","Rodríguez-Lugo, Rafael E.; Urdaneta, Neudo; Pribanic, Bruno; Landaeta, Vanessa R.","The solid-state emmissive chalcone (2<i>E</i>)-1-(5-chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014205","","","0.71073","MoKα","","0.0615","0.0497","","","0.1149","0.1209","","","","","","1.107","","","","has coordinates,has Fobs","153367","2020-10-21","18:00:00",""
"2020085","10.9786","0.0003","10.9374","0.0003","23.5429","0.0005","90","","97.554","0.002","90","","2802.43","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6,12,12-Tetrachlorotricyclo[8.2.0.0^4,7^]dodecane-5,11-dione","","- C12 H12 Cl4 O2 -","- C12 H12 Cl4 O2 -","- C96 H96 Cl32 O16 -","8","2","XU5862","Turan Akın, Esra; Hökelek, Tuncer","Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione","Acta Crystallographica Section E Crystallographic Communications","2015","71","9","1000","","10.1107/S2056989015014383","","","0.71073","MoKα","","0.1102","0.0643","","","0.116","0.1309","","","","","","1.104","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020086","8.9219","0.0005","12.4145","0.0007","15.565","0.0009","89.659","0.003","79.993","0.004","76.92","0.003","1652.72","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>rac</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)] tetrahydrofuran disolvate","","- C22 H48 B20 Co2 O2 -","- C22 H48 B20 Co2 O2 -","- C44 H96 B40 Co4 O4 -","2","1","KY3086","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0683","0.044","","","0.0991","0.1095","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","153455","2020-10-21","18:00:00",""
"2020087","43.247","0.005","8.8497","0.0009","13.4476","0.0014","90","","90.104","0.006","90","","5146.7","1","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>meso</i>-[1-{1'-4'-Cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)]","","- C14 H32 B20 Co2 -","- C14 H32 B20 Co2 -","- C112 H256 B160 Co16 -","8","1","","Mandal, Dipendu; Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Synthesis and crystal structures of the <i>racemic</i> and <i>meso</i> forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba-<i>closo</i>-dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba-<i>closo</i>-dodecaborane(10)], the former as its tetrahydrofuran disolvate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014539","","","0.71073","MoKα","","0.0987","0.0873","","","0.1521","0.1565","","","","","","1.253","","","","has coordinates,has Fobs","153455","2020-10-21","18:00:00",""
"2020088","13.6198","0.0019","13.962","0.002","26.646","0.004","85.035","0.002","89.776","0.002","86.223","0.002","5037","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[sesqui(μ~2~-4,4'-bipyridine)bis(dimethylformamide)bis(μ~4~-4,4',4''-nitrilotribenzoato)trizinc(II)]","","- C63 H50 N7 O14 Zn3 -","- C63 H50 N7 O14 Zn3 -","- C126 H100 N14 O28 Zn6 -","2","1","YO3010","Zhao, Meng; Su, Jian; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","A zinc(II) metal‒organic framework with a novel topology formed from 4,4',4''-nitrilotribenzoate and 4,4'-bipyridine ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014813","","","0.71073","MoKα","","0.1003","0.0709","","","0.2014","0.2163","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","153456","2020-10-21","18:00:00",""
"2020089","23.198","0.003","26.327","0.003","7.288","0.001","90","","90","","90","","4451","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylacetamide (1/1)","","- C8 H16 N6 O -","- C8 H16 N6 O -","- C128 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0787","0.066","","","0.1531","0.1589","","","","","","1.136","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020090","23.178","0.002","26.3327","0.0017","7.3428","0.0005","90","","90","","90","","4481.6","0.6","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2,4-Diamino-6-methyl-1,3,5-triazine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H16 N6 O -","- C9 H16 N6 O -","- C144 H256 N96 O16 -","16","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0613","0.0519","","","0.1007","0.1034","","","","","","1.216","","","","has coordinates,has Fobs","153656","2020-10-21","18:00:00",""
"2020091","5.0318","0.0007","8.5779","0.0011","15.008","0.002","93.929","0.011","96.214","0.011","100.121","0.011","631.41","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-6-methyl-1,3,5-triazine‒2,6-dichlorophenol (1/1)","","- C10 H11 Cl2 N5 O -","- C10 H11 Cl2 N5 O -","- C20 H22 Cl4 N10 O2 -","2","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0484","0.0332","","","0.0766","0.0809","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","153656","2020-10-21","18:00:00",""
"2020092","8.1456","0.0005","9.2289","0.0006","14.9731","0.0009","90","","96.463","0.005","90","","1118.45","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Aminoisocytosine‒<i>N</i>-methylpyrrolidin-2-one (1/1)","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒<i>N</i>-methylpyrrolidin-2-one (1/1)","","- C9 H15 N5 O2 -","- C9 H15 N5 O2 -","- C36 H60 N20 O8 -","4","1","SK3598","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0694","0.065","","","0.1752","0.179","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020093","8.106","0.0005","9.0448","0.0005","12.5656","0.0008","90","","102.859","0.005","90","","898.17","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aminoisocytosine‒2,6-dichloroaniline‒<i>N</i>,<i>N</i>-dimethylacetamide","2,6-Diaminopyrimidin-4(3<i>H</i>)-one‒2,6-dichloroaniline‒\ <i>N</i>,<i>N</i>-dimethylacetamide (1/1/1)","","- C14 H20 Cl2 N6 O2 -","- C14 H20 Cl2 N6 O2 -","- C28 H40 Cl4 N12 O4 -","2","1","","Gerhardt, Valeska; Bolte, Michael","Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015119","","","0.71073","MoKα","","0.0332","0.0305","","","0.079","0.08","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2020094","24.174","0.005","9.85","0.002","7.6135","0.0015","90","","92.44","0.03","90","","1811.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[bis(nicotinic acid-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium(II)] monohydrate]","","- C14 H12 Cd N4 O5 S2 -","- C14 H12 Cd N4 O5 S2 -","- C56 H48 Cd4 N16 O20 S8 -","4","0.5","YO3012","Zhou, Lin; Wang, Hui-Ting","A two-dimensional cadmium(II) polymer based on nicotinic acid and thiocyanate ligands","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615015156","","","0.71073","MoKα","","0.0377","0.03","","","0.0813","0.0854","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020095","11.144","","11.599","","13.529","","104.05","","97.18","","108.05","","1574.49","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","","- C26 H32 Cd2 N2 O17 -","- C26 H32 Cd2 N2 O17 -","- C52 H64 Cd4 N4 O34 -","2","1","OV3061","Liu, Fang; Zhang, Jing-Jing; Lei, Ming-Yuan; Zhang, Qing-Fu","A two-dimensional cadmium(II) coordination polymer based on 5-(pyridin-4-yl)isophthalic acid: poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]","Acta Crystallographica Section C","2015","71","9","834","838","10.1107/S2053229615015612","","","0.71073","MoKα","","0.162","0.0743","","","0.1463","0.1951","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2020096","5.4126","0.0002","12.7656","0.0005","22.6827","0.0008","90","","90","","90","","1567.26","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0479","0.0368","","","0.0746","0.0817","","","","","","1.06","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020097","7.5484","0.0007","9.9887","0.001","11.2112","0.001","100.624","0.008","98.405","0.007","95.661","0.008","815.01","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(4-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C32 H26 Cl2 N4 O8 S2 -","2","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0776","0.0442","","","0.0961","0.1168","","","","","","1.022","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020098","5.5652","0.0002","25.5022","0.0012","11.5536","0.0005","90","","97.8","0.004","90","","1624.57","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0563","0.0398","","","0.0911","0.1009","","","","","","1.037","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020099","11.8547","0.0005","13.5312","0.0004","15.3394","0.0006","91.849","0.003","98.378","0.003","94.991","0.003","2422.56","0.16","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline acetonitrile hemisolvate","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate","","- C25 H31.5 N3.5 P S -","- C25 H31.5 N3.5 P S -","- C100 H126 N14 P4 S4 -","4","2","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.059","0.0419","","","0.0485","0.0526","","","","","","1.45","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2020100","14.2245","0.0002","14.2802","0.0003","14.8887","0.0003","90","","109.293","0.0016","90","","2854.48","0.1","119.97","0.1","119.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>N</i>-{Bis[(3,4-dimethylphenyl)amino](sulfanylidene)-λ^5^-phosphanyl}-3,4-dimethylaniline‒3-methylpiperidinium chloride (1/1)","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(4-methylphenyl)phosphorothioic triamide‒3-methylpiperidinium chloride (1/1)","","- C27 H38 Cl N4 P S -","- C27 H38 Cl N4 P S -","- C108 H152 Cl4 N16 P4 S4 -","4","1","","Alamdar, Amir Hossein; Pourayoubi, Mehrdad; Saneei, Anahid; Dušek, Michal; Kučeráková, Monika; Henriques, Margarida S.","Hirshfeld surface analysis of two new phosphorothioic triamide structures","Acta Crystallographica Section C","2015","71","9","824","833","10.1107/S2053229615014527","","","1.54184","CuKα","","0.0325","0.0288","","","0.0908","0.0941","","","","","","1.76","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020101","8.1452","0.0016","9.6282","0.0019","11.736","0.002","105.69","0.03","98.02","0.03","111.68","0.03","793.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaqua-1κ^2^<i>O</i>-tetrakis(μ~3~-pyridine-2,3-dicarboxylato)-2:1:2'κ^10^<i>N</i>,<i>O</i>^2^:O</i>^2'^,O</i>^3^:O</i>^3'^;2:1:2'κ^8^<i>O</i>^3^:O</i>^3'^:<i>N</i>,O</i>^2^-diiron(III)strontium(II)] dihydrate]","","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","- C28 H20 Fe2 N4 O20 Sr -","1","0.5","WQ3100","Yang, Yongfeng; Li, Tao; Chen, Yanmei","The first three-dimensional Fe^III^‒Sr^II^ heterometallic coordination polymer: poly[[diaquatetrakis(μ~3~-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016617","","","0.71073","MoKα","","0.0395","0.0276","","","0.0654","0.0709","","","","","","1.019","","","","has coordinates","158187","2020-10-21","18:00:00",""
"2020102","10.9815","0.0009","10.8697","0.001","11.1525","0.0009","90","","111.135","0.009","90","","1241.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DABCO BrCF2CF2Br adduct","1,2-Dibromo-1,1,2,2-tetrafluoroethane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C8 H12 Br2 F4 N2 -","- C8 H12 Br2 F4 N2 -","- C32 H48 Br8 F16 N8 -","4","0.5","YF3093","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016472","","","0.71073","MoKα","","0.0519","0.0367","","","0.0622","0.0688","","","","","","1.029","","","","has coordinates,has Fobs","158188","2020-10-21","18:00:00",""
"2020103","7.7531","0.001","15.2639","0.0019","16.29","0.002","100.775","0.001","98.323","0.001","99.464","0.001","1837.1","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Diaqua[1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pent-1-en-3-ol]cobalt(II) dinitrate dihydrate","","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","- C60 H76 Cl8 Co N14 O14 -","1","0.5","LF3016","Xi, Teng; Li, Jie; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","A new Co^II^ complex of diniconazole: synthesis, crystal structure and antifungal activity","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016241","","","0.71073","MoKα","","0.0402","0.0341","","","0.1149","0.1339","","","","","","1.106","","","","has coordinates,has Fobs","158189","2020-10-21","18:00:00",""
"2020104","13.0174","0.0004","14.3273","0.0008","24.1557","0.0013","80.946","0.004","79.029","0.004","87.039","0.003","4366.6","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[K(222)][Fe(TpivPP)Cl](C6H14)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium(I) [5,10,15,20-tetrakis(2-<i>tert</i>-butanamidophenyl)porphyrinato]iron(II) n-hexane monosolvate","","- C88 H114 Cl Fe K N10 O10 -","- C88 H114 Cl Fe K N10 O10 -","- C176 H228 Cl2 Fe2 K2 N20 O20 -","2","1","FN3203","Yu, Qiang; Liu, Diansheng; Li, Xiangjun; Li, Jianfeng","A moderate distortion of the `picket-fence' porphyrin (cryptand-222)potassium chlorido[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-pivalamidophenyl)porphyrinato]ferrate(II) <i>n</i>-hexane monosolvate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015478","","","0.71073","MoKα","","0.1262","0.0685","","","0.1411","0.1681","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","208159","2020-10-21","18:00:00",""
"2020105","11.5408","0.0002","11.7953","0.0002","9.7964","0.0002","90","","110.299","0.002","90","","1250.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acrylamido-2,2,6,6-tetramethylpiperidine-1-oxyl","","- C12 H21 N2 O2 -","- C12 H21 N2 O2 -","- C48 H84 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.038","0.0341","","","0.0831","0.087","","","","","","1.035","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020106","11.9763","0.0003","10.3132","0.0002","11.855","0.0003","90","","114.527","0.003","90","","1332.13","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide monohydrate","","- C12 H24 N2 O2 -","- C12 H24 N2 O2 -","- C48 H96 N8 O8 -","4","1","UK3117","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structure and packing of aminoxyl and piperidinyl acrylamide monomers","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015946","","","1.54184","CuKα","","0.0727","0.0567","","","0.13","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","158191","2020-10-21","18:00:00",""
"2020107","14.1011","0.001","14.1011","0.001","10.085","0.0009","90","","90","","120","","1736.7","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)rubidium hexachloridoantimonate(V)","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0292","0.0263","","","0.0635","0.0649","","","","","","1.051","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020108","14.0782","0.001","14.0782","0.001","10.623","0.0008","90","","90","","120","","1823.4","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)caesium hexachloridoantimonate(V)","","- C12 H24 Cl6 Cs O6 Sb -","- C12 H24 Cl6 Cs O6 Sb -","- C36 H72 Cl18 Cs3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0353","0.031","","","0.0761","0.0789","","","","","","1.09","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020109","14.1069","0.0009","14.1069","0.0009","10.1908","0.0008","90","","90","","120","","1756.3","0.2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","Ammonium hexachloridoantimonate(V)‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C12 H28 Cl6 N O6 Sb -","- C12 H28 Cl6 N O6 Sb -","- C36 H84 Cl18 N3 O18 Sb3 -","3","0.166667","EG3188","Ponomarova, Vira V.; Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.","Unusual centrosymmetric structure of [<i>M</i>(18-crown-6)]^+^ (<i>M</i> = Rb, Cs and NH~4~) complexes stabilized in an environment of hexachloridoantimonate(V) anions","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615015430","","","0.71073","MoKα","","0.0236","0.0217","","","0.0547","0.0556","","","","","","1.135","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020110","5.6396","0.0004","16.3917","0.0011","16.9602","0.0012","69.427","0.004","89.995","0.005","87.286","0.005","1465.98","0.18","100","2","100","2","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-Amphetamine hydrochloride","(2<i>S</i>)-1-Phenylpropan-2-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C54 H84 Cl6 N6 -","6","6","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71073","MoKα","","0.0638","0.0547","","","0.1252","0.1293","","","","","","1.031","","","","has coordinates,has Fobs","158193","2020-10-21","18:00:00",""
"2020111","5.2366","0.0004","8.4264","0.0005","11.3895","0.0008","90","","94.079","0.002","90","","501.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>S</i>)-Amphetamine hydrobromide","(2<i>S</i>)-1-Phenylpropan-2-aminium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C18 H28 Br2 N2 -","2","1","FM3034","Dennany, Lynn; Kennedy, Alan R.; Walker, Brandon","The hydrochloride and hydrobromide salt forms of (S)-amphetamine","Acta Crystallographica Section C Structural Chemistry","2015","71","10","","","10.1107/S2053229615015867","","","0.71069","MoKα","","0.02","0.0197","","","0.0513","0.0515","","","","","","1.082","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020112","7.6647","0.0005","26.6935","0.0014","7.535","0.0005","90","","111.787","0.007","90","","1431.52","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[tetraaqua[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~2~-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^)dicadmium(II)] dihydrate]","","- C20 H28 Cd2 N10 O14 -","- C20 H28 Cd2 N10 O14 -","- C40 H56 Cd4 N20 O28 -","2","0.5","LF3020","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0365","0.0301","","","0.0734","0.0767","","","","","","1.106","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020113","7.0219","0.0014","8.4215","0.0017","10.913","0.002","81.75","0.03","84.05","0.03","75.12","0.03","615.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~2~-1,2-bis(1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis(μ~3~-pyrazine-2,3-dicarboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^3'^)dicadmium(II)] dihydrate]","","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","- C18 H20 Cd2 N10 O12 -","1","0.5","","Xia, Jun; Gong, Xiao-Lin; Fan, Xing","Two new cadmium(II) coordination polymers based on bis(1,2,4-triazol-1-yl)alkane ligands and pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016496","","","0.71073","MoKα","","0.0469","0.0294","","","0.0649","0.0704","","","","","","0.944","","","","has coordinates,has Fobs","158194","2020-10-21","18:00:00",""
"2020114","7.334","0.0001","9.911","0.0001","12.68","0.0002","90","","96.649","0.001","90","","915.48","0.02","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-acetyl-4-hydroxycoumarin","3-Acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","QS3049","Ghouili, Afef; Brahmia, Ameni; Ben Hassen, Rached","Polymorphism in 3-acetyl-4-hydroxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016083","","","0.71073","MoKα","","0.1017","0.0561","","","0.1651","0.1987","","","","","","1.047","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020115","14.46","0.003","21.116","0.004","19.607","0.004","90","","94","0.03","90","","5972","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis[6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolato-1:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;3:2κ^8^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]trizinc(II) hexafluoridophosphate methanol monosolvate","","- C57 H56 F12 N8 O5 P2 Zn3 -","- C57 H56 F12 N8 O5 P2 Zn3 -","- C228 H224 F48 N32 O20 P8 Zn12 -","4","1","YO3013","Kim, Young-Inn; Song, Young-Kwang; Kim, Daeyoung; Kang, Sung Kwon","Photoluminescence properties of a cationic trinuclear zinc(II) complex with the tetradentate Schiff base ligand 6-methyl-2-({[(pyridin-2-yl)methyl]imino}methyl)phenolate","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615017015","","","0.71073","MoKα","","0.1872","0.0709","","","0.1629","0.2137","","","","","","1.01","","","","has coordinates,has Fobs","158197","2020-10-21","18:00:00",""
"2020116","13.6864","0.0005","20.6309","0.0009","14.1328","0.0008","90","","90","","90","","3990.6","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(tetraethylammonium) dichloride dodecachlorohexasilane","","- C16 H40 Cl14 N2 Si6 -","- C16 H40 Cl14 N2 Si6 -","- C64 H160 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0597","0.0375","","","0.0645","0.0702","","","","","","1.016","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020117","11.1071","0.0009","14.3992","0.0012","16.7434","0.0012","89.672","0.006","88.689","0.006","89.854","0.006","2677.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrabutylammonium tributylmethylammonium dichloride dodecachlorohexasilane","","- C29 H66 Cl14 N2 Si6 -","- C29 H66 Cl14 N2 Si6 -","- C58 H132 Cl28 N4 Si12 -","2","1","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0874","0.053","","","0.121","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020118","15.4687","0.0004","18.5439","0.0005","22.8784","0.0007","90","","90","","90","","6562.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetrabutylammonium) dichloride dodecachlorohexasilane benzene disolvate","","- C44 H84 Cl14 N2 Si6 -","- C44 H84 Cl14 N2 Si6 -","- C176 H336 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0745","0.0578","","","0.1398","0.1499","","","","","","1.079","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020119","11.0097","0.0017","12.7082","0.0018","13.0269","0.0018","61.618","0.01","72.804","0.011","71.605","0.011","1498.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzyltriphenylphosphonium) dichloride dodecachlorohexasilane","","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","- C50 H44 Cl14 P2 Si6 -","1","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.136","0.0711","","","0.1426","0.165","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","158198","2020-10-21","18:00:00",""
"2020120","4.701","0.0003","4.701","0.0003","7.5431","0.0011","90","","90","","120","","144.36","0.02","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Lanthanum trilithium dibismuthide","","- Bi2 La Li3 -","- Bi2 La Li3 -","- Bi2 La Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0131","0.0125","","","0.0259","0.0261","","","","","","1.156","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020121","4.679","0.0006","4.679","0.0006","7.4776","0.0017","90","","90","","120","","141.77","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cerium trilithium dibismuthide","","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","- Bi2 Ce Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0138","0.0126","","","0.026","0.0261","","","","","","1.171","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020122","4.6672","0.0007","4.6672","0.0007","7.435","0.002","90","","90","","120","","140.26","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Praseodymium trilithium dibismuthide","","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","- Bi2 Li3 Pr -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0155","0.0147","","","0.0268","0.0269","","","","","","1.221","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020123","4.6596","0.0008","4.6596","0.0008","7.422","0.002","90","","90","","120","","139.56","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Neodymium trilithium dibismuthide","","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","- Bi2 Li3 Nd -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0247","0.0218","","","0.0412","0.0419","","","","","","1.132","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020124","4.6398","0.0005","4.6398","0.0005","7.3624","0.0016","90","","90","","120","","137.26","0.04","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Samarium trilithium dibismuthide","","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","- Bi2 Li3 Sm -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0162","0.0154","","","0.0336","0.0342","","","","","","1.17","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020125","4.6188","0.0007","4.6188","0.0007","7.328","0.002","90","","90","","120","","135.39","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Gadolinium trilithium dibismuthide","","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","- Bi2 Gd Li3 -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0266","0.0233","","","0.0467","0.0475","","","","","","1.084","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020126","4.6165","0.0009","4.6165","0.0009","7.3087","0.0014","90","","90","","120","","134.9","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Terbium trilithium dibismuthide","","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","- Bi2 Li3 Tb -","1","0.0833333","SK3600","Prakash, Jai; Schäfer, Marion C.; Bobev, Svilen","Synthesis and structure determination of seven ternary bismuthides: crystal chemistry of the <i>RE</i>Li~3~Bi~2~ family (<i>RE</i> = La‒Nd, Sm, Gd, and Tb)","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016393","","","0.71073","MoKα","","0.0185","0.0184","","","0.0393","0.0394","","","","","","1.174","","","","has coordinates,has Fobs","158199","2020-10-21","18:00:00",""
"2020127","9.682","0.0006","10.654","0.0003","23.3676","0.0007","90","","97.184","0.01","90","","2391.49","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-<i>N</i>-[(1<i>RS</i>,2<i>RS</i>,4<i>RS</i>)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]acetamide","","- C12 H21 N O -","- C12 H21 N O -","- C96 H168 N8 O8 -","8","2","","Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris","Crystal structures of two (±)-exo-N-isobornylacetamides","Acta Crystallographica Section E Crystallographic Communications","2015","71","10","1117","","10.1107/S2056989015015984","","","0.71073","MoKα","","0.1175","0.0647","","","0.1441","0.1594","","","","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020128","9.6852","0.0002","10.7589","0.0003","23.7261","0.0008","90","","90","","90","","2472.31","0.12","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","(±)-2-Chloro-<i>N</i>-[(1<i>RS</i>,2<i>RS</i>,4<i>RS</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide","","- C12 H20 Cl N O -","- C12 H20 Cl N O -","- C96 H160 Cl8 N8 O8 -","8","1","","Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris","Crystal structures of two (±)-exo-N-isobornylacetamides","Acta Crystallographica Section E Crystallographic Communications","2015","71","10","1117","","10.1107/S2056989015015984","","","0.71073","MoKα","","0.1575","0.0726","","","0.1335","0.1596","","","","","","1.021","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020129","4.8929","0.0003","4.4195","0.0002","14.1348","0.0007","90","","92.721","0.003","90","","305.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-Iodouracil","5-Iodo-1<i>H</i>-pyrimidine-2,4-dione","","- C4 H3 I N2 O2 -","- C4 H3 I N2 O2 -","- C8 H6 I2 N4 O4 -","2","1","SK3601","Lutz, Martin; de Klein, Thomas J. S.; Huijben, Jeroen","5-Iodouracil: structure of a reflection twin","Acta Crystallographica Section C","2015","71","10","912","915","10.1107/S2053229615017167","","","0.71073","MoKα","","0.0211","0.0189","","","0.0449","0.0455","","","","","","1.087","","","","has coordinates,has Fobs","159066","2020-10-21","18:00:00",""
"2020130","12.4152","0.001","8.9071","0.0006","16.5072","0.0012","90","","107.194","0.002","90","","1743.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-cyano-5-oxo-5-phenyl-3-(piperidin-1-yl)pent-2-enoate","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","FN3205","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.101","0.0518","","","0.1198","0.1403","","","","","","1.024","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020131","8.3337","0.0007","8.6333","0.0007","24.7075","0.0019","90","","90","","90","","1777.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-cyano-5-(4-methoxyphenyl)-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0809","0.0472","","","0.0976","0.1096","","","","","","1.013","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020132","4.952","0.0003","13.6151","0.0007","25.8916","0.0015","90","","90","","90","","1745.66","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-(4-chlorophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C19 H21 Cl N2 O3 -","- C19 H21 Cl N2 O3 -","- C76 H84 Cl4 N8 O12 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0405","0.0336","","","0.0808","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020202","14.063","0.002","17.869","0.003","7.877","0.0012","90","","100.296","0.002","90","","1947.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}-bis(methanylylidene))bis(thiosemicarbazide)","","- C18 H20 N6 O2 S2 -","- C18 H20 N6 O2 S2 -","- C72 H80 N24 O8 S8 -","4","0.5","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0377","0.0343","","","0.0942","0.0973","","","","","","1.077","","","","has coordinates,has Fobs","167920","2020-10-21","18:00:00",""
"2020203","11.6081","0.0016","18.136","0.003","14.186","0.002","90","","101.801","0.002","90","","2923.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-({[(ethane-1,2-diyl)dioxy](1,2- phenylene)}bis(methanylylidene))bis(thiosemicarbazide) bis(N,N-dimethylformamide) solvate","","- C24 H34 N8 O4 S2 -","- C24 H34 N8 O4 S2 -","- C96 H136 N32 O16 S8 -","4","1","FA3376","Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher","The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018744","","","0.71073","MoKα","","0.0481","0.0394","","","0.1051","0.1107","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","167920","2020-10-21","18:00:00",""
"2020204","8.356","0.0003","26.8244","0.001","11.8293","0.0004","90","","109.73","0.001","90","","2495.82","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfameter III","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","2","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0572","0.0405","","","0.1002","0.1108","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020205","8.0609","0.0003","19.5195","0.0007","11.2668","0.0004","90","","98.672","0.001","90","","1752.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfameter dioxane solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide 1,4-dioxane monosolvate","","- C15 H20 N4 O5 S -","- C15 H20 N4 O5 S -","- C60 H80 N16 O20 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.0848","0.0742","","","0.223","0.2413","","","","","","1.03","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020206","8.0255","0.0002","19.1956","0.0005","11.1829","0.0003","90","","98.886","0.001","90","","1702.1","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfapyridine tetrahydrofuran solvate","4-Amino-<i>N</i>-(5-methoxypyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","CU3084","Tailor, Sanjay M.; Patel, Urmila H.","Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017520","","","0.71073","MoKα","","0.05","0.0438","","","0.1195","0.1276","","","","","","1.041","","","","has coordinates,has Fobs","167921","2020-10-21","18:00:00",""
"2020207","8.88472","0.00016","12.2592","0.0002","23.7676","0.0007","90","","90","","90","","2588.76","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose pentahydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose pentahydrate","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0343","0.0321","","","0.0768","0.0785","","","","","","1.078","","","","has coordinates,has Fobs","167922","2020-10-21","18:00:00",""
"2020208","8.91348","0.00016","12.2915","0.0002","23.6567","0.0007","90","","90","","90","","2591.83","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose 4.433-hydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.433-hydrate","","- C18 H40.866 O20.433 -","- C18 H40.866 O20.433 -","- C72 H163.464 O81.732 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0479","0.0461","","","0.1011","0.1018","","","","","","1.19","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020209","8.91926","0.00016","12.3038","0.0002","23.6118","0.0007","90","","90","","90","","2591.18","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.289-hydrate","","- C18 H40.578 O20.289 -","- C18 H40.578 O20.289 -","- C72 H162.312 O81.156 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0438","0.0423","","","0.1038","0.1046","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020210","8.93444","0.00016","12.3196","0.0002","23.6037","0.0004","90","","90","","90","","2598.03","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.127-hydrate","","- C18 H40.254 O20.127 -","- C18 H40.254 O20.127 -","- C72 H161.016 O80.508 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0364","0.0344","","","0.0884","0.0897","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020211","6.5589","0.0002","16.9199","0.0006","12.7585","0.0005","90","","100.69","","90","","1391.31","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dicarbonyldichlorido(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)","","- C13 H6 Cl2 N2 O3 Ru -","- C13 H6 Cl2 N2 O3 Ru -","- C52 H24 Cl8 N8 O12 Ru4 -","4","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0314","0.029","","","0.074","0.0758","","","","","","1.013","","","","has coordinates","167923","2020-10-21","18:00:00",""
"2020212","7.458","0.002","9.701","0.002","11.594","0.009","90.43","0.03","108.6","0.04","98.41","0.02","785.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonyldichlorido(4,5-diazafluoren-9-one-κ<i>N</i>)ruthenium(II)","","- C14 H6 Cl2 N2 O4 Ru -","- C14 H6 Cl2 N2 O4 Ru -","- C28 H12 Cl4 N4 O8 Ru2 -","2","1","OV3067","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018100","","","0.71073","MoKα","","0.0562","0.0372","","","0.0552","0.0596","","","","","","1.127","","","","has coordinates,has Fobs","167923","2020-10-21","18:00:00",""
"2020213","9.882","0.004","11.07","0.003","12.287","0.004","66.194","0.018","78.01","0.02","63.966","0.016","1104.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-)(μ~4~-homophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(pyridine-κ<i>N</i>)dicopper(II)]","","- C19 H16 Cu2 N8 O4 -","- C19 H16 Cu2 N8 O4 -","- C38 H32 Cu4 N16 O8 -","2","1","WQ3099","Ma, Jie; Wang, Deng-Feng; Fan, Li-Qun; Zhou, Kang","Structure and magnetic properties of a copper(II) coordination polymer based on azide, pyridine and homophthalic acid","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018173","","","0.71073","MoKα","","0.0478","0.036","","","0.0851","0.0923","","","","","","1.024","","","","has coordinates,has Fobs","167924","2020-10-21","18:00:00",""
"2020253","10.273","0.002","15.081","0.003","7.7654","0.0016","90","","93.06","0.03","90","","1201.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ~2~-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C9 H12 Cd Cl2 N2 O2 -","- C9 H12 Cd Cl2 N2 O2 -","- C36 H48 Cd4 Cl8 N8 O8 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0328","0.0267","","","0.0584","0.0603","","","","","","1.157","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020254","8.4937","0.0017","8.2364","0.0016","22.015","0.004","90","","91.57","0.03","90","","1539.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane [[dichloridocadmium(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate]","","- C10 H17 Cd Cl2 N3 O5 -","- C10 H17 Cd Cl2 N3 O5 -","- C40 H68 Cd4 Cl8 N12 O20 -","4","1","KU3167","Hou, Xue-Li; Wang, Hui-Ting","Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018264","","","0.71073","MoKα","","0.0704","0.0541","","","0.1418","0.1495","","","","","","1.08","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020255","7.548","0.005","13.066","0.005","15.815","0.005","90","","90","","90","","1559.7","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0462","0.0379","","","0.0953","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020256","6.6616","0.0012","4.8577","0.001","19.099","0.004","90","","99.821","0.006","90","","609","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-Benzyl-5-fluoroindoline-2,3-dione","","- C15 H10 F N O2 -","- C15 H10 F N O2 -","- C30 H20 F2 N2 O4 -","2","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0877","0.0547","","","0.0734","0.08","","","","","","1.162","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020257","8.3961","0.0004","9.8673","0.0005","11.068","0.0007","66.137","0.005","83.459","0.004","79.546","0.004","823.81","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine 3-hydroxypyridin-1-ium-2-carboxylate (1/1)","<i>N</i>^6^-Benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1)","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C36 H28 N12 O8 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0687","0.0477","","","0.1151","0.1299","","","","","","1.036","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020258","7.5844","0.0007","10.0175","0.0009","11.9658","0.001","111.669","0.008","93.488","0.007","98.845","0.007","827.95","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N6-benzoyladenine <i>DL</i>-tartaric acid (1/1)","<i>N</i>^6^-benzoyladenine‒<i>DL</i>-tartaric acid (1/1),","","- C16 H15 N5 O7 -","- C16 H15 N5 O7 -","- C32 H30 N10 O14 -","2","1","KU3164","Karthikeyan, Ammasai; Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in two cocrystals of the N(7)‒H tautomeric form of <i>N</i>^6^-benzoyladenine: <i>N</i>^6^-benzoyladenine‒3-hydroxypyridinium-2-carboxylate (1/1) and <i>N</i>^6^-benzoyladenine‒<small>DL</small>-tartaric acid (1/1)","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018094","","","0.71073","MoKα","","0.0692","0.0472","","","0.1098","0.1261","","","","","","1.046","","","","has coordinates,has Fobs","169161","2020-10-21","18:00:00",""
"2020274","17.966","0.005","17.966","0.005","4.0448","0.0006","90","","90","","120","","1130.7","0.5","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","aluminide","Trigadolinium heptanickel tetradecaaluminide","","- Al14 Gd3 Ni7 -","- Al14 Gd3 Ni7 -","- Al42 Gd9 Ni21 -","3","0.25","KU3165","Pukas, Svitlana; Gladyshevskii, Roman","The new structure type Gd~3~Ni~7~Al~14~","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018082","","","0.71073","MoKα","","0.0322","0.0226","","","0.0296","0.0306","","","","","","0.805","","","","has coordinates,has Fobs","169730","2020-10-21","18:00:00",""
"2020275","9.681","0.0019","10.257","0.002","18.424","0.004","99.16","0.03","101.87","0.03","94.06","0.03","1757.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[zinc(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^3^:<i>N</i>^3'^;<i>N</i>^3'^:<i>N</i>^3^-zinc(II)-bis(μ-benzene-1,2-dicarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^]","","- C38 H28 N8 O8 Zn2 -","- C38 H28 N8 O8 Zn2 -","- C76 H56 N16 O16 Zn4 -","2","1","WQ3101","Huang, Qiu-Ying; Liu, Wei; Yang, Yi; Meng, Xiang-Ru","A new one-dimensional Zn^II^ coordination polymer based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate","Acta Crystallographica Section C","2015","71","11","","","10.1107/S205322961501966X","","","0.71073","MoKα","","0.0654","0.046","","","0.0862","0.0947","","","","","","1.098","","","","has coordinates,has Fobs","169771","2020-10-21","18:00:00",""
"2020276","10.1099","0.001","11.3367","0.0011","17.0315","0.0017","74.755","0.002","78.503","0.002","65.557","0.002","1705.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1,1''-Dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C44 H33 Cl N2 O3 -","- C44 H33 Cl N2 O3 -","- C88 H66 Cl2 N4 O6 -","2","1","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0795","0.0658","","","0.1471","0.1551","","","","","","1.133","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020277","11.983","0.0005","12.926","0.0006","21.5664","0.001","76.33","0.001","76.522","0.001","77.553","0.001","3110.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1''-Acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H29 Cl N2 O4 -","- C39 H29 Cl N2 O4 -","- C156 H116 Cl4 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.1184","0.0681","","","0.1382","0.16","","","","","","1.044","","","","has coordinates","169772","2020-10-21","18:00:00",""
"2020278","9.7565","0.001","16.6868","0.0016","19.9593","0.0019","71.653","0.002","81.657","0.002","89.314","0.002","3049.7","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione","","- C39 H30 N2 O4 -","- C39 H30 N2 O4 -","- C156 H120 N8 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.113","0.0698","","","0.1322","0.1489","","","","","","1.093","","","","has coordinates,has Fobs","169772","2020-10-21","18:00:00",""
"2020279","9.694","0.0005","18.581","0.001","20.1552","0.0011","114.872","0.002","98.465","0.002","99.397","0.002","3153.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione acetonitrile hemisolvate","","- C40 H31.5 N2.5 O4 -","- C40 H31.5 N2.5 O4 -","- C160 H126 N10 O16 -","4","2","EG3191","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Structural consequences of weak interactions in dispirooxindole derivatives","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019610","","","0.71073","MoKα","","0.0849","0.0582","","","0.1325","0.147","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","169772","2020-10-21","18:00:00",""
"2020280","7.9293","0.0008","15.1231","0.0016","10.249","0.0012","90","","100.862","0.006","90","","1207","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1)","Pyrazine-2-carboxamide‒4-aminobenzoic acid (1/1)","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C48 H48 N16 O12 -","4","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0476","0.0366","","","0.0886","0.0954","","","","","","1.053","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020281","6.0535","0.0005","7.4159","0.0006","13.2548","0.001","85.612","0.005","81.9","0.005","66.398","0.005","539.69","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-(Pyrazine-2-carboxamido)benzoic acid","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","WQ3103","Thorat, Shridhar H.; Sahu, Sanjay Kumar; Gonnade, Rajesh G.","Crystal structures of the pyrazinamide‒<i>p</i>-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)benzoic acid in the molten state","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019828","","","0.71073","MoKα","","0.0785","0.0537","","","0.1221","0.1343","","","","","","1.063","","","","has coordinates,has Fobs","169773","2020-10-21","18:00:00",""
"2020282","11.0317","0.001","11.8701","0.001","11.122","0.0009","90","","118.675","0.002","90","","1277.78","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5-Chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-<i>b</i>]pyridin-5-yl)methanone","","- C14 H9 Cl N2 O3 -","- C14 H9 Cl N2 O3 -","- C56 H36 Cl4 N8 O12 -","4","1","SU5220","Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone","Acta Crystallographica Section E Crystallographic Communications","2015","71","11","o875","","10.1107/S2056989015019635","","","0.71073","MoKα","","0.0669","0.0477","","","0.0905","0.1103","","","","","","1.131","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020283","12.5223","0.0008","7.6646","0.0004","15.1729","0.0013","90","","101.044","0.004","90","","1429.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","OV3068","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","(5<i>RS</i>)-6<i>H</i>-Spiro[pyrazolo[1,5-<i>c</i>]quinazoline-5,4'-thiochroman]: efficient synthesis under mild conditions, molecular structure and supramolecular assembly","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615020136","","","0.71073","MoKα","","0.0596","0.0451","","","0.1112","0.1214","","","","","","1.064","","","","has coordinates,has Fobs","169873","2020-10-21","18:00:00",""
"2020284","19.3847","0.001","9.0716","0.0004","30.3953","0.0012","90","","90","","90","","5345","0.4","170","2","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C224 H320 O48 -","16","2","FN3208","Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.","Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019919","","","0.71073","MoKα","","0.129","0.0665","","","0.1475","0.1892","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","169874","2020-10-21","18:00:00",""
"2020285","11.6622","0.0009","14.0738","0.0011","15.6906","0.001","82.472","0.006","84.831","0.006","75.009","0.007","2462","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1',6,6'-Tetrahydroxy-5,5'-diisopropyl-8,8'-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3'-dimethyl-2,2'-binaphthalene-7,7'-diolate","","- C44 H44 N2 O8 -","- C44 H44 N2 O8 -","- C88 H88 N4 O16 -","2","1","HB7516","Honkeldieva, Muhabbat T.; Talipov, Samat A.; Kunafiev, Rishad; Ibragimov, Bakhtiyar T.","Crystal structure of bis-p-anizidinegossypol with an unknown solvate","Acta Crystallographica Section E Crystallographic Communications","2015","71","12","1421","","10.1107/S2056989015020393","","","1.54184","CuKα","","0.1381","0.0507","","","0.1081","0.1243","","","","","","0.649","","","","has coordinates,has Fobs","170174","2020-10-21","18:00:00",""
"2020286","3.8229","0.0015","8.972","0.003","11.645","0.004","75.011","0.006","89.036","0.006","81.735","0.006","381.7","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","β-Resorcylic acid monohydrate","2,4-Dihydroxybenzoic acid monohydrate","","- C7 H8 O5 -","- C7 H8 O5 -","- C14 H16 O10 -","2","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.0542","0.048","","","0.1272","0.1325","","","","","","1.103","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020287","26.534","0.002","6.5377","0.0006","7.6136","0.0007","90","","90","","90","","1320.7","0.2","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Thymine‒β-resorcylic acid‒water (1/1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒2,4-dihydroxybenzoic acid‒water (1/1/1)","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","CU3091","Sridhar, Balasubramanian","Synthon preference in a hydrated β-resorcylic acid structure and its cocrystal with thymine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020628","","","0.71073","MoKα","","0.034","0.0328","","","0.0864","0.0873","","","","","","1.038","","","","has coordinates,has Fobs","170205","2020-10-21","18:00:00",""
"2020288","7.2045","0.001","15.049","0.002","12.1405","0.0016","90","","91.65","0.002","90","","1315.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C30 H34 N4 Ni -","- C30 H34 N4 Ni -","- C60 H68 N8 Ni2 -","2","0.5","DT3036","Su, Bi-Yun; Li, Xiao-Teng; Wang, Jia-Xiang; Wang, Xu-Dong","Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>')nickel(II): a supramolecular structure formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020781","","","0.71073","MoKα","","0.0552","0.037","","","0.0958","0.1046","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020289","9.5706","0.0005","10.2415","0.0005","11.6998","0.0005","94.507","0.004","110.27","0.004","111.616","0.005","971.75","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[Benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","","- C16 H24 O8 P2 -","- C16 H24 O8 P2 -","- C32 H48 O16 P4 -","2","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0378","0.0323","","","0.0847","0.0896","","","","","","1.054","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020290","9.8434","0.0002","11.3589","0.0003","26.6986","0.0008","90","","90","","90","","2985.18","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C10 H20 O7 P2 -","- C10 H20 O7 P2 -","- C80 H160 O56 P16 -","8","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0527","0.0464","","","0.0918","0.0944","","","","","","1.136","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020291","15.464","0.002","8.663","0.001","9.912","0.002","90","","112.832","0.002","90","","1223.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","","- C13 H12 Ag N3 -","- C13 H12 Ag N3 -","- C52 H48 Ag4 N12 -","4","0.5","FM3029","Piromchom, Jureepan; Othong, Jintana; Boonmak, Jaursup; Mutikainen, Ilpo; Youngme, Sujittra","A novel one-dimensional metal‒organic framework with a μ-cyanido-argentate group: <i>catena</i>-poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')silver(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]","Acta Crystallographica Section C","2015","71","12","1","0","10.1107/S2053229615020288","","","0.71073","MoKα","","0.0318","0.0285","","","0.0688","0.0708","","","","","","1.139","","","","has coordinates,has disorder,has Fobs","170208","2020-10-21","18:00:00",""
"2020292","18.0782","0.0007","5.8922","0.0003","15.8365","0.0003","90","","93.7245","0.0007","90","","1683.35","0.11","296","","296","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-chlorido-[bis(ethylenediamine)platinum(IV)]-μ-chlorido] tetrakis{4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate} dihydrate]","","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","- C56 H72 Cl2 N16 O18 Pt2 S4 -","1","0.25","UK3120","Matsushita, Nobuyuki; Taira, Ayako","A one-dimensional chloride-bridged PtII/PtIVmixed-valence complex with a 4-[(4-hydroxyphenyl)diazenyl]benzenesulfonate counter-ion","Acta Crystallographica Section C Structural Chemistry","2015","71","12","","","10.1107/S2053229615019877","","","0.7107","MoKα","","0.0512","0.0303","","","0.0552","0.0615","","","","","","1.042","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2020293","11.8634","0.0007","12.6803","0.0006","17.1975","0.0009","90","","90","","90","","2587","0.2","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate","","- C19 H28 B2 F8 Fe N10 O -","- C19 H28 B2 F8 Fe N10 O -","- C76 H112 B8 F32 Fe4 N40 O4 -","4","1","EG3192","Struch, Niklas; Schnakenburg, Gregor; Lützen, Arne","A novel crystal structure of {tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020409","","","0.71073","MoKα","","0.0483","0.0373","","","0.0824","0.0864","","","","","","1.05","","","","has coordinates,has disorder","170210","2020-10-21","18:00:00",""
"2020294","8.657","0.0005","8.8622","0.0017","9.0321","0.0011","92.649","0.013","113.635","0.009","100.632","0.012","618.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(6<i>RS</i>)-4-Chloro-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 -","- C14 H14 Cl N3 -","- C28 H28 Cl2 N6 -","2","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0858","0.0528","","","0.1163","0.1362","","","","","","1.082","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020295","8.0251","0.0007","21.551","0.0017","8.0709","0.0006","90","","116.216","0.006","90","","1252.27","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-hydroxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.0729","0.0461","","","0.0937","0.104","","","","","","1.136","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020296","8.2148","0.0007","12.9078","0.0008","15.0778","0.0006","90","","122.774","0.005","90","","1344.27","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C15 H16 Cl N3 O -","- C15 H16 Cl N3 O -","- C60 H64 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1017","0.0516","","","0.0921","0.1089","","","","","","1.043","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020297","13.9431","0.0008","9.2078","0.001","14.802","0.004","90","","106.521","0.008","90","","1821.9","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>)-4-Chloro-8-methoxy-6,11-dimethyl-2-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C21 H20 Cl N3 O -","- C21 H20 Cl N3 O -","- C84 H80 Cl4 N12 O4 -","4","1","YF3094","Acosta, Lina M.; Jurado, Jorge; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five closely related 4-chloro-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: similar molecular structures but different supramolecular assemblies","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020811","","","0.71073","MoKα","","0.1115","0.057","","","0.0991","0.1197","","","","","","1.079","","","","has coordinates,has Fobs","170285","2020-10-21","18:00:00",""
"2020298","7.2367","0.0006","8.4193","0.0006","11.7507","0.0008","73.617","0.005","85.522","0.006","69.492","0.005","643.17","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","9α,21-Dichloro-11β,17α-dihydroxy-16α-methyl-3,20-dioxodipregna-1,4-dien-17-yl furan-2-carboxylate monohydrate","","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","- C27 H32 Cl2 O7 -","1","1","OV3071","Müller, Peter","Mometasone furoate revisited, or how did the hydrate get in the bottle?","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021476","","","1.54178","CuKα","","0.0473","0.0412","","","0.0979","0.1002","","","","","","1.032","","","","has coordinates,has Fobs","170373","2020-10-21","18:00:00",""
"2020299","3.7097","0.0003","9.5406","0.001","22.841","0.002","90","","90","","90","","808.41","0.13","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TGN-020","2-Nicotinamido-1,3,4,-thiadiazole","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","1","YP3101","Burnett, Marianne E.; Johnston, Hannah M.; Green, Kayla N.","Structural characterization of the aquaporin inhibitor 2-nicotinamido-1,3,4-thiadiazole","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021130","","","0.71073","MoKα","","0.0655","0.0441","","","0.075","0.0799","","","","","","1.052","","","","has coordinates,has Fobs","170374","2020-10-21","18:00:00",""
"2020300","12.6613","0.0009","8.0054","0.0006","12.8345","0.0009","90","","117.89","0.0009","90","","1149.79","0.14","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-11-oxo-9,10,17λ^5^-triaza-1λ^4^-boratetracyclo[8.7.0.0^2,7^.0^12,17^]heptadeca-3,5,7,12,14,16-hexaen-17-ylium-1-uide","","- C13 H10 B N3 O2 -","- C13 H10 B N3 O2 -","- C52 H40 B4 N12 O8 -","4","1","YP3108","Sarina, Evan A.; Olmstead, Marilyn M.; Kanichar, Divya; Groziak, Michael P.","A zwitterion produced by a strong intramolecular N→B interaction in 1-hydroxy-2-(pyridin-2-ylcarbonyl)benzo[<i>d</i>][1,2,3]diazaborinine","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021841","","","0.71073","MoKα","","0.0382","0.036","","","0.1014","0.1034","","","","","","1.043","","","","has coordinates,has Fobs","170561","2020-10-21","18:00:00",""
"2020301","10.169","0.003","7.858","0.002","13.818","0.004","90","","105.757","0.004","90","","1062.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[dibromidozinc(II)]-μ-[3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione-κ^2^<i>N</i>:<i>N</i>']]","","- C24 H14 Br2 N2 O2 Zn -","- C24 H14 Br2 N2 O2 Zn -","- C48 H28 Br4 N4 O4 Zn2 -","2","0.5","UK3122","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.0495","0.0325","","","0.0528","0.0554","","","","","","0.851","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020302","23.138","0.009","10.921","0.004","16.49","0.007","90","","108.931","0.007","90","","3941","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bromido[μ~3~-10-hydroxy-3,6-bis(pyridin-4-yl)phenanthren-9-olato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>^9^]zinc(II)] hemihydrate]","","- C24 H16 Br N2 O2.5 Zn -","- C24 H16 Br N2 O2.5 Zn -","- C192 H128 Br8 N16 O20 Zn8 -","8","2","","Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping","Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022159","","","0.71073","MoKα","","0.1413","0.0508","","","0.0594","0.0713","","","","","","0.824","","","","has coordinates","170562","2020-10-21","18:00:00",""
"2020303","7.9382","0.0016","7.3484","0.0015","25.847","0.005","90","","90.05","0.03","90","","1507.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2'<i>E</i>,2'<i>E</i>)-2,2'-(Propane-1,2-diylidene)bis[1-(2-nitrophenyl)hydrazine]","","- C15 H14 N6 O4 -","- C15 H14 N6 O4 -","- C60 H56 N24 O16 -","4","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.0609","0.0377","","","0.0865","0.0917","","","","","","0.866","","","","has coordinates,has Fobs","170589","2020-10-21","18:00:00",""
"2020304","27.312","0.006","7.5929","0.0016","20.625","0.004","90","","106.241","0.007","90","","4106.5","1.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>Z</i>,3<i>Z</i>)-Ethyl 3-[2-(2-nitrophenyl)hydrazinylidene]-2-[2-(4-nitrophenyl)hydrazinylidene]butanoate tetrahydrofuran hemisolvate","","- C20 H22 N6 O6.5 -","- C20 H22 N6 O6.5 -","- C160 H176 N48 O52 -","8","1","FP3020","Bustos, Carlos; Alvarez-Thon, Luis; Baggio, Ricardo","Structural aspects of two α-dihydrazones displaying a complete survey of intermolecular interactions","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021944","","","0.71073","MoKα","","0.1055","0.062","","","0.1494","0.168","","","","","","1.335","","","","has coordinates,has disorder,has Fobs","170589","2020-10-21","18:00:00",""
"2020305","9.35","0.0019","15.95","0.003","26.07","0.005","90","","90","","90","","3887.9","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Glycyl-α-aminoisobutyryl-glycyl-α-aminoisobutyric acid <i>tert</i>-butyl ester","","- C16 H30 N4 O5 -","- C16 H30 N4 O5 -","- C128 H240 N32 O40 -","8","1","LG3179","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The first N-terminal unprotected (Gly-Aib)~<i>n~</i> peptide: H-Gly-Aib-Gly-Aib-O<i>t</i>Bu","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022597","","","0.65253","synchrotron","","0.0613","0.059","","","0.1486","0.1505","","","","","","1.111","","","","has coordinates,has Fobs","170590","2020-10-21","18:00:00",""
"2020306","9.2871","0.0003","19.633","0.0007","7.3663","0.0003","90","","108.604","0.002","90","","1272.94","0.08","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ferrocenylmethyl methacrylate","","- C15 H16 Fe O2 -","- C15 H16 Fe O2 -","- C60 H64 Fe4 O8 -","4","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0365","0.0286","","","0.0679","0.0711","","","","","","1.047","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020307","8.7326","0.0003","10.3037","0.0003","11.0775","0.0004","64.245","0.002","77.333","0.002","77.167","0.002","866.7","0.05","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(methylene) dimethacrylate","","- C20 H22 Fe O4 -","- C20 H22 Fe O4 -","- C40 H44 Fe2 O8 -","2","1","UK3123","McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Structures and packing of ferrocenylmethyl methacrylate and ferrocene-1,1'-diylbis(methylene) dimethacrylate","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022512","","","0.71073","MoKα","","0.0403","0.0336","","","0.0842","0.0882","","","","","","1.05","","","","has coordinates,has Fobs","170591","2020-10-21","18:00:00",""
"2020316","7.827","0.003","15.534","0.005","15.886","0.006","88.82","0.02","89.093","0.018","77.266","0.018","1883.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","pyrazoxyfen","2-{[4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-1<i>H</i>-pyrazol-5-yl]oxy}-1-phenylethan-1-one","","- C20 H16 Cl2 N2 O3 -","- C20 H16 Cl2 N2 O3 -","- C80 H64 Cl8 N8 O12 -","4","2","HG5466","Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of pyrazoxyfen","Acta Crystallographica Section E Crystallographic Communications","2015","71","12","o1033","","10.1107/S2056989015023233","","","0.71073","MoKα","","0.099","0.0486","","","0.0949","0.1087","","","","","","0.989","","","","has coordinates,has Fobs","171470","2020-10-21","18:00:00",""
"2020858","6.9132","0.0008","8.9917","0.001","36.898","0.004","90","","90","","90","","2293.6","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thymine‒catechol (1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2-diol (1/1)","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0613","0.0511","","","0.1283","0.1342","","","","","","1.17","","","","has coordinates,has Fobs","199944","2020-10-21","18:00:00",""
"2020859","6.9499","0.0007","9.0237","0.001","26.828","0.003","90","","90","","90","","1682.5","0.3","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Thymine‒catechol (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,3-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.059","0.0518","","","0.1302","0.1347","","","","","","1.103","","","","has coordinates,has Fobs","199945","2020-10-21","18:00:00",""
"2020860","14.204","0.003","6.9634","0.0013","8.4505","0.0015","90","","97.639","0.003","90","","828.4","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thymine‒hydroquinone (2/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,4-diol (2/1)","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","0.5","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0452","0.0423","","","0.1201","0.1232","","","","","","1.062","","","","has coordinates,has Fobs","199946","2020-10-21","18:00:00",""
"2020861","6.9652","0.0013","10.2125","0.0019","12.951","0.002","97.218","0.003","99.189","0.003","108.549","0.003","846.7","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Thymine‒pyrogallol (1/2)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2,3-triol (1/2)","","- C17 H18 N2 O8 -","- C17 H18 N2 O8 -","- C34 H36 N4 O16 -","2","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0488","0.0427","","","0.1239","0.1311","","","","","","1.046","","","","has coordinates,has Fobs","199947","2020-10-21","18:00:00",""
"2020862","18.757","0.0005","18.757","0.0005","36.092","0.002","90","","90","","90","","12698.1","0.9","110","2","110","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","PCN-427","","","- C32 H22 Cu2 N0 O10 -","- C32 H22 Cu2 O10 -","- C256 H176 Cu16 O80 -","8","0.5","XW5001","Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai","Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","6","613","610","10.1107/S205252061501584X","","","0.71073","MoKα","","0.1009","0.0705","","","0.1452","0.1579","","","","","","1.007","","","","has coordinates,has Fobs","200029","2020-10-21","18:00:00",""
"2020863","40.9779","0.0008","40.9779","0.0008","40.9779","0.0008","90","","90","","90","","68810","2","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","PCN-426(Ni)","","","- C32 H22 N0 Ni3.17 O16 -","- C32 H22 Ni3.16667 O16 -","- C768 H528 Ni76 O384 -","24","0.125","","Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai","Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","6","613","","10.1107/S205252061501584X","","","0.71073","MoKα","","0.1415","0.0908","","","0.2133","0.2392","","","","","","1.003","","","","has coordinates,has Fobs","200030","2020-10-21","18:00:00",""
"2020864","17.6373","0.0005","9.4076","0.0004","14.7798","0.0005","90","","118.396","0.002","90","","2157.27","0.14","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,2,3-trimethylpyridnium) tetrabromidocuprate(II)","","- C16 H24 Br4 Cu N2 -","- C16 H24 Br4 Cu N2 -","- C64 H96 Br16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0544","0.028","","","0.0593","0.0645","","","","","","0.948","","","","has coordinates,has Fobs","200031","2020-10-21","18:00:00",""
"2020865","16.9587","0.0003","7.8858","0.0001","13.8774","0.0003","90","","90","","90","","1855.87","0.06","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(2,6-dimethylpyridinium) tetrachloridocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0454","0.0308","","","0.0716","0.0782","","","","","","1.082","","","","has coordinates,has Fobs","200032","2020-10-21","18:00:00",""
"2020866","14.551","0.0003","7.8249","0.0002","17.0624","0.0003","90","","97.54","0.001","90","","1925.93","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2,6-dimethylpyridinium) tetrabromidocuprate(II)","","- C14 H20 Br4 Cu N2 -","- C14 H20 Br4 Cu N2 -","- C56 H80 Br16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0689","0.0398","","","0.0865","0.0982","","","","","","1.048","","","","has coordinates,has Fobs","200033","2020-10-21","18:00:00",""
"2020867","14.6041","0.0003","7.9883","0.0002","17.1986","0.0003","90","","97.345","0.001","90","","1989.96","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2,6-dimethylpyridinium) tetrabromidocuprate(II)","","- C14 H20 Br4 Cu N2 -","- C14 H20 Br4 Cu N2 -","- C56 H80 Br16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0435","0.0298","","","0.0679","0.0736","","","","","","1.056","","","","has coordinates,has Fobs","200034","2020-10-21","18:00:00",""
"2020868","14.3451","0.0003","7.5569","0.0002","16.6038","0.0003","90","","96.309","0.001","90","","1789.03","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound X","bis(2,6-dimethylpyridinium) tetrachlorocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0514","0.0328","","","0.0708","0.0783","","","","","","1.03","","","","has coordinates,has Fobs","200035","2020-10-21","18:00:00",""
"2020869","14.4831","0.0003","7.7267","0.0002","16.6432","0.0003","90","","95.84","0.001","90","","1852.82","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2,6-dimethylpyridinium)tetrachloridocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71069","MoKα","","0.0518","0.0346","","","0.085","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","200036","2020-10-21","18:00:00",""
"2020870","16.9411","0.0005","8.2218","0.0002","13.8212","0.0004","90","","90","","90","","1925.1","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(2,6-dimethylpyridinium) tetrachloridocuprate(II)","","- C14 H20 Cl4 Cu N2 -","- C14 H20 Cl4 Cu N2 -","- C56 H80 Cl16 Cu4 N8 -","4","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0462","0.0326","","","0.0876","0.098","","","","","","1.062","","","","has coordinates,has Fobs","200037","2020-10-21","18:00:00",""
"2020871","13.0879","0.0012","9.4953","0.001","8.7957","0.0009","90","","113.631","0.006","90","","1001.41","0.18","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(1,2,6-trimethylpyridinium) tetrabromidocuprate(II)","","- C16 H24 Br4 Cu N2 -","- C16 H24 Br4 Cu N2 -","- C32 H48 Br8 Cu2 N4 -","2","0.25","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0715","0.0598","","","0.1729","0.183","","","","","","1.214","","","","has coordinates,has Fobs","200038","2020-10-21","18:00:00",""
"2020872","8.0517","0.0002","9.3247","0.0003","16.4524","0.0005","75.997","0.002","88.567","0.002","65.757","0.002","1088.97","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(1,2,6-trimethylpyridinium) tetrabromidocuprate(II)","","- C16 H24 Br4 Cu N2 -","- C16 H24 Br4 Cu N2 -","- C32 H48 Br8 Cu2 N4 -","2","1","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0684","0.0378","","","0.0764","0.0886","","","","","","1.034","","","","has coordinates,has Fobs","200039","2020-10-21","18:00:00",""
"2020873","12.9074","0.0004","9.2262","0.0004","8.6377","0.0003","90","","114.925","0.002","90","","932.82","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(1,2,6-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C32 H48 Cl8 Cu2 N4 -","2","0.25","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0291","0.0244","","","0.0625","0.0646","","","","","","1.079","","","","has coordinates,has Fobs","200040","2020-10-21","18:00:00",""
"2020874","13.191","0.0006","9.2068","0.0004","8.7242","0.0004","90","","114.595","0.002","90","","963.4","0.08","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(1,2,6-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C32 H48 Cl8 Cu2 N4 -","2","0.25","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0502","0.0379","","","0.0994","0.1077","","","","","","1.033","","","","has coordinates,has Fobs","200041","2020-10-21","18:00:00",""
"2020875","7.9236","0.0004","9.1502","0.0004","16.1341","0.0008","75.409","0.002","86.964","0.003","64.493","0.003","1019.63","0.09","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","bis(1,2,6-trimethylpyridinium) tetrachloridocuprate(II)","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C32 H48 Cl8 Cu2 N4 -","2","1","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0889","0.0621","","","0.2022","0.2231","","","","","","1.071","","","","has coordinates,has Fobs","200042","2020-10-21","18:00:00",""
"2020876","6.4234","0.0001","22.4819","0.0004","8.4552","0.0001","90","","116.314","0.001","90","","1094.49","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(methyl(2-phenylethyl)ammonium tetrachloridocuprate(II)","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","OG5072","Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R.","The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2015","71","1","48","60","10.1107/S205252061402664X","","","0.71073","MoKα","","0.0329","0.0234","","","0.055","0.0572","","","","","","1.063","","","","has coordinates,has Fobs","200043","2020-10-21","18:00:00",""
"2105998","7.6726","0.0001","7.6726","0.0001","9.191","0.0002","90","","90","","90","","541.063","0.015","15","","15","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","BM5068","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane ‒ in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.71073","MoKα","","0.013","0.013","","","","0.032","","","","","","2.134","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105999","7.6619","0.0001","7.6619","0.0001","9.183","0.0002","90","","90","","90","","539.085","0.015","15","","15","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane ‒ in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.3936","synchrotron","","0.017","0.017","","","","0.035","","","","","","1.364","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106000","7.6761","0.0001","7.6761","0.0001","9.1966","0.0002","90","","90","","90","","541.887","0.015","35","","35","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","Paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane ‒ in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.71073","MoKα","","0.012","0.012","","","","0.027","","","","","","2.783","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106001","7.6648","0.0001","7.6648","0.0001","9.1858","0.0002","90","","90","","90","","539.658","0.015","35","","35","2","","","","","","","","2","P -4 n 2","P -4 -2n","118","paracyclophane","[2,2]-Paracyclophane","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.25","","Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar","Charge density investigations on [2,2]-paracyclophane ‒ in data we trust","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026080","","","0.3936","synchrotron","","0.016","0.016","","","","0.035","","","","","","1.804","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106002","8.2876","0.0006","11.1324","0.0009","11.9121","0.0009","90","","90","","90","","1099.02","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl4 Co N2 -","- C4 H12 Cl4 Co N2 -","- C16 H48 Cl16 Co4 N8 -","4","1","HW5038","Decaroli, C.; Arevalo-Lopez, A. M.; Woodall, C. H.; Rodriguez, E. E.; Attfield, J. P.; Parker, S. F.; Stock, C.","(C~4~H~12~N~2~)[CoCl~4~]: tetrahedrally coordinated Co^2+^ without the orbital degeneracy","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614024809","","","0.71073","MoKα","","0.0436","0.0321","","","0.069","0.074","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106003","7.476","0.0001","35.981","0.0005","11.359","0.0002","90","","90.944","0.001","90","","3055.09","0.08","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid","","- C34 H50 O7 -","- C34 H50 O7 -","- C136 H200 O28 -","4","2","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0356","0.0353","","","0.0952","0.0954","","","","","","1.032","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106004","13.064","0.0003","7.319","0.0002","18.617","0.0004","90","","103.515","0.002","90","","1730.78","0.07","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid propionic acid solvate","","- C37 H56 O9 -","- C37 H56 O9 -","- C74 H112 O18 -","2","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0394","0.0376","","","0.0966","0.0988","","","","","","1.022","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106005","7.2834","0.0002","11.6425","0.0003","41.9069","0.0015","90","","90","","90","","3553.58","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid dimethoxyethan solvate","","- C38 H60 O9 -","- C38 H60 O9 -","- C152 H240 O36 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0709","0.0559","","","0.1307","0.1382","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106006","7.3497","0.0001","11.8061","0.0001","42.4208","0.0004","90","","92.476","0.001","90","","3677.47","0.07","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid : monosodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid water/butan-2-one solvate","","- C76 H119 Na O18 -","- C76 H119 Na O18 -","- C152 H238 Na2 O36 -","2","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0555","0.0551","","","0.1526","0.1531","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2106007","6.9798","0.0009","3.8107","0.0006","32.79","0.005","90","","93.901","0.008","90","","870.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","HNA","","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","RY5063","Zhang, Qi; Li, Meiqi; Mei, Xuefeng","A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026134","","","0.71073","MoKα","","0.0618","0.0377","","","0.0851","0.0969","","","","","","0.961","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106008","20.92","0.005","6.9926","0.0014","14.688","0.003","90","","125.339","0.01","90","","1752.7","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","HNA","","","- C11 H8 O3 -","- C11 H8 O3 -","- C88 H64 O24 -","8","1","","Zhang, Qi; Li, Meiqi; Mei, Xuefeng","A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026134","","","0.71073","MoKα","","0.1018","0.0683","","","0.1902","0.2263","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106009","11.0421","0.0011","11.0421","0.0011","11.0421","0.0011","90","","90","","90","","1346.3","0.2","293","","293","","","","","","","","","4","P n -3 n :1","P 4 2 3 -1n","222","","","","- Mo2.603 Nd4.365 O16.47 Pb0.335 -","- Mo2.6034 Nd4.3648 O16.4752 Pb0.3348 -","- Mo10.4136 Nd17.4592 O65.9008 Pb1.3392 -","4","0.0833333","BP5077","Antipin, Alexander M.; Sorokina, Natalia I.; Alekseeva, Olga A.; Kuskova, Alexandra N.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Voronkova, Valentina I.","Structure of fluorite-like compound based on Nd~5~Mo~3~O~16~ with lead partly substituting for neodymium","Acta Crystallographica Section B","2015","71","2","","","10.1107/S2052520615003315","","","0.71073","MoKα","","0.0303","0.0204","","","0.0519","0.0571","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2106010","7.98355","0.00031","10.0084","0.0004","7.47952","0.00027","90","","100.321","0.0031","90","","587.96","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba O6.84 Si2 Ti -","- Ba O6.843 Si2 Ti -","- Ba4 O27.372 Si8 Ti4 -","4","1","PO5015","Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco","Structure and stability of BaTiSi~2~O~7~","Acta Crystallographica Section B","2015","71","2","","","10.1107/S2052520615002942","powder diffraction","","0.70448","synchrotron","","","","","","","","","","11.41","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106011","7.99385","0.00004","10.01017","0.00005","7.47514","0.00004","90.0836","0.0003","100.368","0.0003","89.9368","0.0003","588.392","0.005","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- Ba O7 Si2 Ti -","- Ba O7 Si2 Ti -","- Ba4 O28 Si8 Ti4 -","4","2","PO5015","Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco","Structure and stability of BaTiSi~2~O~7~","Acta Crystallographica Section B","2015","71","2","","","10.1107/S2052520615002942","powder diffraction","","0.70448","synchrotron","","","","","","","","","","11.41","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106012","9.445","0.0006","10.3974","0.0007","13.3661","0.0008","77.188","0.005","89.846","0.005","67.043","0.005","1173.4","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cl N9 O5 -","- C18 H30 Cl N9 O5 -","- C36 H60 Cl2 N18 O10 -","2","1","AO5001","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0913","0.0836","","","0.2394","0.2437","","","","","","1.125","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106013","7.6291","0.0004","21.0118","0.0008","10.969","0.0006","90","","98.95","0.004","90","","1736.93","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 N8 O3 -","- C13 H26 N8 O3 -","- C52 H104 N32 O12 -","4","1","AO5001","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0544","0.044","","","0.1125","0.1176","","","","","","1.103","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106014","6.997","0.0005","8.614","0.0005","13.8513","0.0009","85.725","0.005","84.516","0.005","75.572","0.005","803.7","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Cl N8 O3 -","- C12 H19 Cl N8 O3 -","- C24 H38 Cl2 N16 O6 -","2","1","AO5001","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0428","0.0383","","","0.102","0.1041","","","","","","1.164","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106015","7.1719","0.0011","8.6197","0.0011","13.5029","0.0019","94.574","0.011","92.707","0.012","99.84","0.011","818.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Cl N8 O4 -","- C11 H19 Cl N8 O4 -","- C22 H38 Cl2 N16 O8 -","2","1","AO5001","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0863","0.0618","","","0.1556","0.1687","","","","","","1.048","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106016","8.4573","0.001","9.3488","0.001","10.8269","0.0011","72.144","0.008","77.879","0.009","77.444","0.009","785.79","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cl2 N8 O3 -","- C10 H14 Cl2 N8 O3 -","- C20 H28 Cl4 N16 O6 -","2","1","","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0622","0.0377","","","0.076","0.0827","","","","","","0.981","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106017","11.9691","0.0007","12.3455","0.0007","12.4618","0.0007","109.385","0.004","96.199","0.005","111.598","0.004","1558.47","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cl2 N8 O3 -","- C10 H14 Cl2 N8 O3 -","- C40 H56 Cl8 N32 O12 -","4","2","","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0583","0.0496","","","0.1332","0.1388","","","","","","1.063","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106018","4.4135","0.0006","15.78","0.003","9.0645","0.0014","90","","92.025","0.012","90","","630.9","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N2 O2 -","- C5 H5 Cl N2 O2 -","- C20 H20 Cl4 N8 O8 -","4","1","","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0429","0.0316","","","0.0685","0.0722","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2106019","18.6341","0.0015","13.0507","0.001","12.3166","0.001","90","","101.365","0.007","90","","2936.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H36 Cl4 N16 O3 -","- C17 H36 Cl4 N16 O3 -","- C68 H144 Cl16 N64 O12 -","4","0.5","","Gerhardt, Valeska; Egert, Ernst","Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives","Acta Crystallographica Section B","2015","71","2","209","220","10.1107/S2052520615003790","","","0.71073","MoKα","","0.0888","0.0666","","","0.1642","0.1738","","","","","","1.167","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106020","11.153","0.002","7.7691","0.0014","15.408","0.003","90","","90","","90","","1335.1","0.4","273","","293","","","","","","","","","7","P c a 21","P 2c -2ac","29","","MoZTS","","- C3 H12 Mo0.2 N6 O4 S4 Zn0.75 -","- C3 H12 Mo0.2 N6 O4 S4 Zn0.75 -","- C12 H48 Mo0.8 N24 O16 S16 Zn3 -","4","1","AO5002","Rajasekar, M.; Muthu, K.; Aditya Prasad, A.; Agilandeshwari, R.; Meenakshisundaram, SP","Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals","Acta Crystallographica Section B","2015","71","3","","","10.1107/S2052520615005922","","","0.71073","MoKα","","0.035","0.0321","","","0.0777","0.0803","","","","","","1.041","","","","has coordinates,has Fobs","209313","2020-10-21","18:00:00",""
"2106021","7.6281","0.0002","7.6281","0.0002","9.8562","0.0004","90","","90","","120","","496.68","0.03","296","","296","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Lithium Sodium Sulphate","","- Li Na O4 S -","- Li Na O4 S -","- Li6 Na6 O24 S6 -","6","1","GW5036","Karppinen, Markku","Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K","Acta Crystallographica Section B","2015","71","3","334","341","10.1107/S2052520615006836","","","0.71073","MoKα","","0.0192","0.0192","","","","0.0481","","","","","","1.0162","","","","has coordinates,has Fobs","137578","2020-10-21","18:00:00",""
"2106022","8.1345","0.0008","8.1345","0.0008","8.1345","0.0008","90","","90","","90","","538.26","0.09","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F6 K2 Si -","- F6 K2 Si -","- F24 K8 Si4 -","4","0.0208333","XK5019","Göbel, Ole F.; ten Elshof, Johan E.; Kaminsky, Werner; Hannss, Matthias","Optical anomaly in artificial cubic hieratite, K~2~[SiF~6~]","Acta Crystallographica Section B","2015","71","3","328","333","10.1107/S2052520615007507","","","0.71073","MoKα","","0.0162","0.0159","","","0.0425","0.0425","","","","","","1.12","","","","has coordinates,has Fobs","137579","2020-10-21","18:00:00",""
"2106620","7.3914","0.0002","11.6712","0.001","12.5913","0.0009","90","","91.455","0.004","90","","1085.86","0.12","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.0776","0.0561","","","0.1342","0.1477","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2106621","13.3114","0.001","6.0032","0.0004","24.1094","0.0015","90","","101.854","0.005","90","","1885.5","0.2","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C64 H80 N16 O40 -","8","1","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.0877","0.0482","","","0.1111","0.1296","","","","","","1.013","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2106622","4.9634","0.0004","12.9992","0.0011","16.5405","0.0017","75.125","0.008","88.907","0.007","87.706","0.006","1030.56","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","2","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.108","0.0546","","","0.1003","0.1181","","","","","","1.008","","","","has coordinates,has Fobs","152103","2020-10-21","18:00:00",""
"2106623","11.9635","0.0007","11.9635","0.0007","11.9635","0.0007","90","","90","","90","","1712.28","0.17","193","2","193","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- F5 H12 N3 O2 W -","- F7 H12 N3 W -","- F56 H96 N24 W8 -","8","0.333333","BP5078","Udovenko, Anatoly; Laptash, Natalia","Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder","Acta Crystallographica Section B","2015","71","4","478","483","10.1107/S2052520615010835","","","0.71073","MoKα","","0.0601","0.0373","","","0.0851","0.1009","","","","","","0.979","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106624","6.0298","0.0001","6.0298","0.0001","6.0298","0.0001","90","","90","","90","","219.234","0.006","296","2","297","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- F5 H12 N3 O2 W -","- F6.9988 N3 W0.96 -","- F6.9988 N3 W0.96 -","1","0.0208333","","Udovenko, Anatoly; Laptash, Natalia","Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder","Acta Crystallographica Section B","2015","71","4","478","483","10.1107/S2052520615010835","","","0.71073","MoKα","","0.0157","0.0157","","","0.0348","0.0348","","","","","","1.21","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106625","6.21664","0.00007","8.77789","0.00009","6.23629","0.00009","90","","90","","90","","340.308","0.007","298","1","298","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106626","6.21664","0.00007","8.77789","0.00009","6.23629","0.00009","90","","90","","90","","340.308","0.007","298","1","298","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba4 Ce4 O12 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.0796","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106627","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba3.32 Ce3.8 O12 Pr0.68 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106628","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba0.83 Ce0.95 O3 Pr0.17 -","- Ba3.32 Ce3.8 O12 Pr0.68 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106629","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba Ce0.8 O3 Pr0.2 -","- Ba4 Ce3.2 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106630","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba Ce0.8 O3 Pr0.2 -","- Ba4 Ce3.2 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106631","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba0.999 Ce0.799 O3 Pr0.2 -","- Ba3.996 Ce3.196 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106632","6.21025","0.00007","8.76826","0.00009","6.22886","0.00009","90","","90","","90","","339.181","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.8 O3 Pr0.2 -","- Ba0.999 Ce0.799 O3 Pr0.2 -","- Ba3.996 Ce3.196 O12 Pr0.8 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106633","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba2.84 Ce3.68 O12 Pr1.16 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106634","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba0.71 Ce0.92 O3 Pr0.29 -","- Ba2.84 Ce3.68 O12 Pr1.16 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106635","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.6 O3 Pr0.4 -","- Ba Ce0.6 O3 Pr0.4 -","- Ba4 Ce2.4 O12 Pr1.6 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106636","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.6 O3 Pr0.4 -","- Ba Ce0.6 O3 Pr0.4 -","- Ba4 Ce2.4 O12 Pr1.6 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106637","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.995 Ce0.597 O3 Pr0.4 -","- Ba0.995 Ce0.597 O3 Pr0.399 -","- Ba3.98 Ce2.388 O12 Pr1.596 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106638","6.20345","0.00007","8.75952","0.00009","6.22537","0.00009","90","","90","","90","","338.282","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.995 Ce0.597 O3 Pr0.4 -","- Ba0.995 Ce0.597 O3 Pr0.399 -","- Ba3.98 Ce2.388 O12 Pr1.596 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106639","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba2.5 Ce3.6 O12 Pr1.5 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106640","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba0.625 Ce0.9 O3 Pr0.375 -","- Ba2.5 Ce3.6 O12 Pr1.5 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106641","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.4 O3 Pr0.6 -","- Ba Ce0.4 O3 Pr0.6 -","- Ba4 Ce1.6 O12 Pr2.4 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106642","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.4 O3 Pr0.6 -","- Ba Ce0.4 O3 Pr0.6 -","- Ba4 Ce1.6 O12 Pr2.4 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106643","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba3.964 Ce1.584 O12 Pr2.376 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106644","6.19647","0.00007","8.74999","0.00009","6.22045","0.00009","90","","90","","90","","337.267","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba0.991 Ce0.396 O3 Pr0.594 -","- Ba3.964 Ce1.584 O12 Pr2.376 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106645","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba2.24 Ce3.544 O12 Pr1.76 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106646","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba0.56 Ce0.886 O3 Pr0.44 -","- Ba2.24 Ce3.544 O12 Pr1.76 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106647","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.2 O3 Pr0.8 -","- Ba Ce0.2 O3 Pr0.8 -","- Ba4 Ce0.8 O12 Pr3.2 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106648","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Ce0.2 O3 Pr0.8 -","- Ba Ce0.2 O3 Pr0.8 -","- Ba4 Ce0.8 O12 Pr3.2 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106649","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.99 Ce0.2 O3 Pr0.79 -","- Ba0.985 Ce0.197 O3 Pr0.788 -","- Ba3.94 Ce0.788 O12 Pr3.152 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","1.24014","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106650","6.18949","0.00007","8.74009","0.00009","6.21421","0.00009","90","","90","","90","","336.168","0.007","298","1","298","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba0.99 Ce0.2 O3 Pr0.79 -","- Ba0.985 Ce0.197 O3 Pr0.788 -","- Ba3.94 Ce0.788 O12 Pr3.152 -","4","0.5","ZB5046","Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V.","Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ}","Acta Crystallographica Section B","2015","71","4","455","462","10.1107/S2052520615010203","powder diffraction","","2.07941","synchrotron","","","","","","","","","","","","","","","","","has coordinates","152531","2020-10-21","18:00:00",""
"2106651","12.8666","0.0001","13.6966","0.0001","16.2049","0.0001","90","","100.686","0.001","90","","2806.24","0.04","112","4","112","4","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(Diethylamino)-N-(2,6-dimethylphenyl)-acetamide","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C112 H176 N16 O8 -","8","4","DQ5012","Gryl, Marlena","Charge density and optical properties of multicomponent crystals containing active pharmaceutical ingredients or their analogues","Acta Crystallographica Section B","2015","71","4","392","405","10.1107/S2052520615013505","","","0.71073","MoKα","","0.068","0.0458","","","0.1114","0.1186","","","","","","1.059","","","","has coordinates","152532","2020-10-21","18:00:00",""
"2106776","8.4551","0.0007","10.012","0.001","17.073","0.002","90","","101.643","0.009","90","","1415.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicesium copper tetraaluminate","","- Al12 Cs6 Cu3 O24 -","- Al4 Cs2 Cu O8 -","- Al24 Cs12 Cu6 O48 -","6","1.5","RA5007","Shvanskaya, Larisa; Yakubovich, Olga; Massa, Werner; Vasiliev, Alexander","Two-dimensional zeolite-like network in the new caesium copper aluminate Cs~2~CuAl~4~O~8~","Acta Crystallographica Section B","2015","71","5","","","10.1107/S2052520615014699","","","0.71073","MoKα","","0.0296","0.0271","","","0.0571","0.0581","","","","","","1.231","","","","has coordinates,has Fobs","158231","2020-10-21","18:00:00",""
"2106777","21.658","0.004","5.6648","0.0009","15.092","0.003","90","","119.433","0.011","90","","1612.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Bi-sulfate","","- Bi14 O36 S5 -","- Bi14 O34 S5 -","- Bi28 O68 S10 -","2","0.5","DK5037","Pinto, Daniela; Garavelli, Anna; Bindi, Luca","Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~","Acta Crystallographica Section B","2015","71","5","","","10.1107/S205252061501358X","","","0.71073","MoKα","","0.1557","0.1241","","","0.311","0.3419","","","","","","1.187","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2106778","5.67","0.003","13.9408","0.0009","22.7908","0.0018","80.903","0.005","82.854","0.014","78.27","0.02","1733.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- As2 Bi30 O77 S9 -","- As0.42 Bi7.5 O15.3 S2.33 -","- As1.68 Bi30 O61.2 S9.32 -","4","4","","Pinto, Daniela; Garavelli, Anna; Bindi, Luca","Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~","Acta Crystallographica Section B","2015","71","5","","","10.1107/S205252061501358X","","","0.71073","MoKα","","0.239","0.1189","","","0.2719","0.3741","","","","","","0.967","","","","has coordinates,has Fobs","201369","2020-10-21","18:00:00",""
"2106805","12.56","0.007","7.667","0.005","14.624","0.009","90","","109.259","0.016","90","","1329.4","1.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-furylfulgide with isopropylidene-1E","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro","Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group","Acta Crystallographica Section B","2015","71","5","535","542","10.1107/S2052520615015267","","","0.71075","MoKα","","0.0637","0.0478","","","0.1278","0.1412","","","","","","1.084","","","","has coordinates,has Fobs","159532","2020-10-21","18:00:00",""
"2106806","12.6826","0.0009","7.9499","0.0006","14.9392","0.0011","90","","107.531","0.002","90","","1436.29","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-furylfulgide with-2-butylidene-2E","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro","Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group","Acta Crystallographica Section B","2015","71","5","535","542","10.1107/S2052520615015267","","","0.71075","MoKα","","0.1104","0.0606","","","0.1683","0.2066","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","159532","2020-10-21","18:00:00",""
"2106807","12.3175","0.0007","8.1863","0.0004","15.1293","0.0008","90","","106.327","0.001","90","","1464.04","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-furylfulgide with cyclopentylidene-3E","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro","Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group","Acta Crystallographica Section B","2015","71","5","535","542","10.1107/S2052520615015267","","","0.71075","MoKα","","0.053","0.0452","","","0.1211","0.1269","","","","","","1.084","","","","has coordinates,has Fobs","159532","2020-10-21","18:00:00",""
"2106808","9.6047","0.0007","14.4631","0.001","11.3814","0.0008","90","","91.355","0.002","90","","1580.59","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-furylfulgide with cyclohexylidene-4E","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro","Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group","Acta Crystallographica Section B","2015","71","5","535","542","10.1107/S2052520615015267","","","0.71075","MoKα","","0.0966","0.0419","","","0.1042","0.1298","","","","","","1.041","","","","has coordinates,has Fobs","159532","2020-10-21","18:00:00",""
"2107266","8.152889","0.000013","8.152889","0.000013","8.152889","0.000013","90","","90","","90","","541.919","0.0015","293","","293","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Li0.5 Mn2 O4 -","- Li0.5 Mn2 O4 -","- Li4 Mn16 O32 -","8","0.666667","KC5017","Bianchini, Matteo; Fauth, François; Suard, Emmanuelle; Leriche, Jean-Bernard; Masquelier, Christian; Croguennec, Laurence","Spinel materials for Li-ion batteries: new insights obtained by <i>operando</i> neutron and synchrotron X-ray diffraction","Acta Crystallographica Section B","2015","71","6","","","10.1107/S2052520615017199","powder diffraction","","0.9534","","","","","","","","","","8.0573","6.84","","","","","","","has coordinates,has Fobs","170284","2020-10-21","18:00:00",""
"2107267","8.5992","0.0003","8.9125","0.0003","15.8039","0.0006","90","","95.502","0.003","90","","1205.64","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-chlorobenzylammonium lead iodide","","","- C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 -","- C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 -","- C28 H36 Cl4 I8 N4 Pb2 -","5","2.5","PS5046","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0361","0.0307","","","0.0511","0.0538","","","","","","0.872","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107268","7.7839","0.0003","14.1821","0.0005","15.3644","0.0007","90","","90.434","0.004","90","","1696.06","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridyl lead iodide","","","- C10 H10 I4 N2 Pb -","- C10 H10 I4 N2 Pb -","- C40 H40 I16 N8 Pb4 -","4","0.5","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0342","0.0284","","","0.0513","0.0542","","","","","","0.974","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107269","8.0519","0.0001","23.4398","0.0003","32.8901","0.0005","90","","90","","90","","6207.51","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","1,2-bis(4-pyridyl)ethane lead iodide","","","- C7.47 H11.73 I3.2 N1.07 O1.07 Pb1.07 S1.07 -","- C7.46667 H11.7333 I3.2 N1.06667 O1.06667 Pb1.06667 S1.06667 -","- C112 H176 I48 N16 O16 Pb16 S16 -","15","1.875","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0454","0.0332","","","0.0602","0.0658","","","","","","1.051","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107270","11.8465","0.0004","17.6887","0.0006","8.1762","0.0003","90","","98.798","0.003","90","","1693.16","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-Bis(4-pyridyl)ethane lead iodide","","","- C18 H26 I6 N4 O2 Pb2 -","- C18 H26 I6 N4 O2 Pb2 -","- C36 H52 I12 N8 O4 Pb4 -","2","0.5","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0604","0.0437","","","0.0855","0.0934","","","","","","1.016","","","","has coordinates,has Fobs","199861","2020-10-21","18:00:00",""
"2107271","15.0068","0.0015","16.9568","0.0015","8.1667","0.0005","90","","95.491","0.009","90","","2068.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1,2-di(4-pyridyl)ethylene lead iodide","","","- C10 H18 I3 N O2 Pb S2 -","- C10 H18 I3 N O2 Pb S2 -","- C40 H72 I12 N4 O8 Pb4 S8 -","4","1","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.1531","0.0891","","","0.163","0.1973","","","","","","1.073","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107272","15.5643","0.0006","15.5643","0.0006","8.0123","0.0005","90","","90","","120","","1680.92","0.14","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","imidazolium lead iodide","","","- C3 H5 I3 N2 Pb -","- C3 H5 I3 N2 Pb -","- C18 H30 I18 N12 Pb6 -","6","0.5","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.1182","0.0956","","","0.2107","0.2254","","","","","","1.121","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107273","9.8058","0.0003","9.2603","0.0003","12.4081","0.0004","90","","93.553","0.003","90","","1124.55","0.06","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","piperazinium lead iodide","","","- C3.2 H9.6 I2.4 N1.6 Pb0.4 -","- C3.2 H9.6 I2.4 N1.6 Pb0.4 -","- C16 H48 I12 N8 Pb2 -","5","1.25","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0334","0.0271","","","0.0468","0.0486","","","","","","1.043","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107274","16.633","","16.633","","16.633","","90","","90","","90","","4601.63","","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Bi23 O46.5 W4 -","- Bi23 O46.5 W4 -","- Bi92 O186 W16 -","4","0.0416667","XW5002","Wind, Julia; Auckett, Josie E.; Withers, Ray L.; Piltz, Ross O.; Maljuk, Andrey; Ling, Chris D.","Type II Bi~1{-~<i>x</i>}W<i>~x~</i>O~1.5+1.5<i>x~</i>: a (3+3)-dimensional commensurate modulation that stabilizes the fast-ion conducting delta phase of bismuth oxide","Acta Crystallographica Section B","2015","71","6","679","687","10.1107/S2052520615018351","","","1","Neutron","","0.249","0.249","","","0.2732","0.2732","","","","","","11.69","","","","has coordinates,has Fobs","170698","2020-10-21","18:00:00",""
"2107275","23.9426","0.0004","10.4477","0.0002","14.9833","0.0002","90","","106.145","0.002","90","","3600.18","0.11","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N4 -","- C24 H16 N4 -","- C192 H128 N32 -","8","2","EB5043","Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo","A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine","Acta Crystallographica Section B","2015","71","6","805","813","10.1107/S205252061501937X","","","0.71073","MoKα","","0.0687","0.0444","","","0.1135","0.1267","","","","","","1.088","","","","has coordinates,has Fobs","170699","2020-10-21","18:00:00",""
"2107276","24.0305","0.0005","10.4656","0.0002","15.0315","0.0004","90","","106.303","0.002","90","","3628.32","0.15","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N4 -","- C24 H16 N4 -","- C192 H128 N32 -","8","2","EB5043","Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo","A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine","Acta Crystallographica Section B","2015","71","6","805","813","10.1107/S205252061501937X","","","0.71073","MoKα","","0.084","0.0488","","","0.116","0.135","","","","","","1.015","","","","has coordinates,has Fobs","170699","2020-10-21","18:00:00",""
"2107277","24.2412","0.0012","10.4907","0.0004","15.0278","0.0009","90","","106.656","0.005","90","","3661.3","0.3","274","2","274","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N4 -","- C24 H16 N4 -","- C192 H128 N32 -","8","2","EB5043","Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo","A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine","Acta Crystallographica Section B","2015","71","6","805","813","10.1107/S205252061501937X","","","0.71073","MoKα","","0.1173","0.062","","","0.1444","0.1756","","","","","","1.103","","","","has coordinates,has Fobs","170699","2020-10-21","18:00:00",""
"2107278","12.2957","0.0002","10.5239","0.0002","14.925","0.0003","90","","107.508","0.002","90","","1841.81","0.06","277","2","277","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 -","- C24 H16 N4 -","- C96 H64 N16 -","4","1","EB5043","Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo","A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine","Acta Crystallographica Section B","2015","71","6","805","813","10.1107/S205252061501937X","","","0.71073","MoKα","","0.0703","0.0455","","","0.1054","0.118","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","170699","2020-10-21","18:00:00",""
"2107279","12.3277","0.0003","10.5211","0.0002","14.9441","0.0004","90","","107.638","0.002","90","","1847.15","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 -","- C24 H16 N4 -","- C96 H64 N16 -","4","1","EB5043","Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo","A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine","Acta Crystallographica Section B","2015","71","6","805","813","10.1107/S205252061501937X","","","0.71073","MoKα","","0.0685","0.0475","","","0.12","0.1344","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","170699","2020-10-21","18:00:00",""
"2107280","6.0104","0.0017","6.0104","0.0017","8.162","0.004","90","","90","","120","","255.35","0.16","295","","295","","","","","","","","","3","R 3 m :H","R 3 -2""","160","Potasium bromate","","","- Br K O3 -","- Br1.00002 K1.00002 O3 -","- Br3.00006 K3.00006 O9 -","3","0.166667","EB5041","Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso","Crystal behavior of potassium bromate under compression","Acta Crystallographica Section B","2015","71","6","798","804","10.1107/S2052520615018156","powder diffraction","","","MoKα","","","","","","","","","11.6302","","","","","","","","has coordinates","170700","2020-10-21","18:00:00",""
"2107281","10.7965","0.0004","12.2449","0.0003","13.7452","0.0005","104.778","0.003","91.462","0.003","108.35","0.003","1656.57","0.1","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C60 H108 B2 Br2 F8 N4 O4 P4 Ru2 -","2","1","EB5042","Casaretto, Nicolas; Pillet, Sébastien; Bendeif, El-Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo","Photocrystallography and IR spectroscopy of light-induced linkage NO isomers in [RuBr(NO)~2~(PCyp~3~)~2~]BF~4~","Acta Crystallographica Section B","2015","71","6","788","797","10.1107/S2052520615018132","","","0.71073","MoKα","","0.0527","0.0408","","","0.0991","0.1084","","","","","","1.044","","","","has coordinates,has Fobs","170701","2020-10-21","18:00:00",""
"2107282","10.7862","0.0004","12.2712","0.0005","13.7402","0.0005","104.562","0.003","91.987","0.003","108.301","0.003","1658.37","0.12","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C60 H108 B2 Br2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, Nicolas; Pillet, Sébastien; Bendeif, El-Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo","Photocrystallography and IR spectroscopy of light-induced linkage NO isomers in [RuBr(NO)~2~(PCyp~3~)~2~]BF~4~","Acta Crystallographica Section B","2015","71","6","788","797","10.1107/S2052520615018132","","","0.71073","MoKα","","0.0552","0.0433","","","0.1029","0.1108","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","170701","2020-10-21","18:00:00",""
"2107283","5.5235","0.0003","5.5235","0.0003","4.3634","0.0003","90","","90","","90","","133.123","0.014","295","","295","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- Mn2 Si3.5 -","- Mn2.004 Si5.856 -","- Mn4.008 Si11.712 -","2","0.0625","KC5025","Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu.","Disorder in the composite crystal structure of the manganese `disilicide' MnSi~1.73~ from powder X-ray diffraction data","Acta Crystallographica Section B","2015","71","6","707","712","10.1107/S2052520615019757","powder diffraction","x-ray","1.54061","CuKα~1~","","","","","","","","","","1.02","","","","","","","has coordinates","170702","2020-10-21","18:00:00",""
"2107284","8.6439","0.00003","8.6439","0.00003","12.50773","0.00008","90","","90","","90","","934.54","0.008","17","","17","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.354 P1.65 S12 Si1.35 -","- Li20.708 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107285","8.68385","0.00005","8.68385","0.00005","12.55589","0.0001","90","","90","","90","","946.83","0.011","300","","300","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.354 P1.65 S12 Si1.35 -","- Li20.708 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107286","8.76517","0.00005","8.76517","0.00005","12.67003","0.00012","90","","90","","90","","973.416","0.012","800","","800","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li10.35 P1.65 S12 Si1.35 -","- Li10.348 P1.65 S12 Si1.35 -","- Li20.696 P3.3 S24 Si2.7 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107287","8.70054","0.00003","8.70054","0.00003","12.6861","0.00008","90","","90","","90","","960.33","0.008","12","","12","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.806 P2.19 S12 Sn0.81 -","- Li19.612 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107288","8.73764","0.00003","8.73764","0.00003","12.7166","0.00007","90","","90","","90","","970.866","0.007","300","","300","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.808 P2.19 S12 Sn0.81 -","- Li19.616 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107289","8.81049","0.00003","8.81049","0.00003","12.79398","0.00007","90","","90","","90","","993.129","0.007","800","","800","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Li9.81 P2.19 S12 Sn0.81 -","- Li9.804 P2.19 S12 Sn0.81 -","- Li19.608 P4.38 S24 Sn1.62 -","2","0.125","","Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji","Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure","Acta Crystallographica Section B","2015","71","6","727","736","10.1107/S2052520615022283","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates,has Fobs","171838","2020-10-21","18:00:00",""
"2107290","2.9977","0.0002","2.9977","0.0002","3.056","0.0003","90","","90","","120","","23.783","0.003","295","","295","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- B2 V -","- B2 V -","- B2 V -","1","0.0416667","PI5025","Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri","On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~","Acta Crystallographica Section B","2015","71","6","777","787","10.1107/S2052520615018363","","","0.560871","AgKα","","0.0058","0.0058","","","0.0063","0.0063","","","","","","1.02","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107291","3.0616","0.0002","8.0495","0.0003","2.9733","0.0002","90","","90","","90","","73.275","0.007","295","","295","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B V -","- B V -","- B4 V4 -","4","0.25","PI5025","Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri","On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~","Acta Crystallographica Section B","2015","71","6","777","787","10.1107/S2052520615018363","","","0.560871","AgKα","","0.0093","0.0093","","","0.0094","0.0094","","","","","","1.01","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107292","2.9821","0.0002","3.0601","0.0002","13.2251","0.0005","90","","90","","90","","120.686","0.012","295","","295","","","","","","","","","2","I m m m","-I 2 2","71","","","","- B4 V3 -","- B4 V3 -","- B8 V6 -","2","0.125","PI5025","Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri","On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~","Acta Crystallographica Section B","2015","71","6","777","787","10.1107/S2052520615018363","","","0.560871","AgKα","","0.0186","0.0186","","","0.0133","0.0133","","","","","","1.03","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107293","13.6028","0.0014","12.3072","0.0013","7.8426","0.0008","90","","90","","90","","1312.9","0.2","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Cs F7 Y2 -","- Cs F7 Y2 -","- Cs8 F56 Y16 -","8","1","BP5082","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0442","0.0347","","","0.0734","0.078","","","","","","1.137","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107294","13.9359","0.0016","12.2412","0.0013","7.9329","0.0008","90","","90","","90","","1353.3","0.3","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- F7 Rb Sm2 -","- F7 Rb Sm2 -","- F56 Rb8 Sm16 -","8","1","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0499","0.0426","","","0.0983","0.1025","","","","","","1.115","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107295","13.828","0.003","12.415","0.003","7.9681","0.0016","90","","90","","90","","1367.9","0.5","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- Cs F7 Gd2 -","- Cs F7 Gd2 -","- Cs8 F56 Gd16 -","8","1","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.054","0.0528","","","0.113","0.1135","","","","","","1.101","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107296","11.5439","0.0013","11.5439","0.0013","11.5439","0.0013","90","","90","","90","","1538.4","0.3","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F10 K Y3 -","- F10 K Y3 -","- F80 K8 Y24 -","8","0.0416667","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0251","0.0251","","","0.0553","0.0553","","","","","","1.189","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107297","8.1976","0.0012","8.1976","0.0012","13.384","0.003","90","","90","","120","","778.9","0.2","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- F10 Rb Y3 -","- F10 Rb Y3 -","- F40 Rb4 Y12 -","4","0.333333","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0324","0.0303","","","0.0845","0.0857","","","","","","1.16","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107298","11.8576","0.0014","11.8576","0.0014","11.8576","0.0014","90","","90","","90","","1667.2","0.3","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- F10 Rb Sm3 -","- F10 Rb Sm3 -","- F80 Rb8 Sm24 -","8","0.0416667","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0303","0.0303","","","0.1052","0.1052","","","","","","1.176","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107299","8.354","0.0012","8.354","0.0012","13.649","0.003","90","","90","","120","","824.9","0.2","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- F10 Gd3 Rb -","- F10 Gd3 Rb -","- F40 Gd12 Rb4 -","4","0.333333","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0348","0.0346","","","0.0833","0.0834","","","","","","1.184","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107300","8.042","0.0011","8.042","0.0011","13.154","0.003","90","","90","","120","","736.7","0.2","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- F10 K Lu3 -","- F10 K Lu3 -","- F40 K4 Lu12 -","4","0.333333","","McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W.","Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides","Acta Crystallographica Section B","2015","71","6","768","776","10.1107/S2052520615017916","","","0.71073","MoKα","","0.0288","0.0285","","","0.0758","0.0759","","","","","","1.187","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2107479","5.077","0.0004","5.077","0.0004","13.9621","0.0014","90","","90","","120","","311.67","0.05","298","2","298","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr Fe O3 -","- Cr Fe O3 -","- Cr6 Fe6 O18 -","6","0.333333","BP5080","Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi","At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO~3~","Acta Crystallographica Section B","2015","71","5","555","561","10.1107/S2052520615015838","","","0.71073","MoKα","","0.0236","0.0202","","","0.0565","0.0592","","","","","","1.114","","","","has coordinates,has Fobs","178106","2020-10-21","18:00:00",""
"2107480","31.781","0.003","18.012","0.005","18.262","0.003","90","","90","","90.004","0.002","10454","4","100","","100","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","","","- C23 H41 Fe N3 O2 P2 -","- C23 H40.9998 Fe N3 O2 P2 -","- C368 H655.997 Fe16 N48 O32 P32 -","16","4","UM5003","Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory","Acta Crystallographica Section B","2015","71","5","524","534","10.1107/S2052520615015097","","","0.71073","MoKα","","0.0818","0.0633","","","0.0784","0.0792","","","","","","3.87","","","","has coordinates","178107","2020-10-21","18:00:00",""
"2107481","9.2939","0.0016","11.7224","0.0018","18.307","0.003","90","","94.999","0.01","90","","1986.9","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Br2 Fe N3 O P2 -","- C14 H25 Br2 Fe N3 O P2 -","- C56 H100 Br8 Fe4 N12 O4 P8 -","4","1","UM5003","Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory","Acta Crystallographica Section B","2015","71","5","524","534","10.1107/S2052520615015097","","","0.71069","MoKα","","0.1767","0.0897","","","0.1178","0.1283","","","","","","1.61","","","","has coordinates","178107","2020-10-21","18:00:00",""
"2107482","9.3389","0.0007","10.3155","0.0008","24.3224","0.0018","96.277","0.003","92.393","0.003","90.009","0.002","2327","0.3","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H55 Cl2 Fe N3 O5 P2 -","- C46 H55 Cl2 Fe N3 O5 P2 -","- C92 H110 Cl4 Fe2 N6 O10 P4 -","2","2","UM5003","Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory","Acta Crystallographica Section B","2015","71","5","524","534","10.1107/S2052520615015097","","","0.71069","MoKα","","0.0602","0.0513","","","0.069","0.0703","","","","","","1.76","","","","has coordinates","178107","2020-10-21","18:00:00",""
"2240267","21.434","0.005","5.715","0.004","23.87","0.005","90","","101.091","0.004","90","","2869","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-3-(4-Methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C136 H120 N8 O16 S8 -","8","1","TK5350","Vinayagam, V.; Mohan Raj, J.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","Crystal structure of (<i>Z</i>)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2015","71","1","o21","o22","10.1107/S2056989014026267","","","0.71073","MoKα","","0.0731","0.0449","","","0.1201","0.1389","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240268","8.068","0.005","14.037","0.005","15.221","0.005","99.801","0.005","96.04","0.005","98.533","0.005","1664.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-{1-[2-(Carbamothioyl)hydrazin-1-ylidene]ethyl}phenyl 4-methylbenzoate","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","2","HB7334","Mani, Karthik Ananth; Viswanathan, Vijayan; Narasimhan, S.; Velmurugan, Devadasan","Crystal structure of (<i>E</i>)-4-{1-[2-(carbamothioyl)hydrazin-1-ylidene]ethyl}phenyl 4-methylbenzoate","Acta Crystallographica Section E","2015","71","1","o43","o44","10.1107/S2056989014026942","","","0.71073","MoKα","","0.0527","0.0404","","","0.1073","0.1176","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240269","17.8579","0.0009","8.1257","0.0004","9.8317","0.0005","90","","90","","90","","1426.66","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-Methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Zukerman-Schpector, Julio; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.","Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one","Acta Crystallographica Section E","2015","71","1","o3","o4","10.1107/S205698901402550X","","","0.71073","MoKα","","0.0685","0.0418","","","0.0779","0.09","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240270","13.092","0.0017","19.198","0.003","15.827","0.002","90","","90","","90","","3978","1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5,5-Bis(4-methylbenzyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione monohydrate","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","2","CV5478","Ravi Kiran, Bhaskarachar; Suchetan, Parameshwar Adimule; Amar, Hosamani; Vijayakumar, Giriyapura R.","Crystal structure of 5,5-bis(4-methylbenzyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione monohydrate","Acta Crystallographica Section E","2015","71","1","19","21","10.1107/S205698901402619X","","","0.71073","MoKα","","0.1054","0.0491","","","0.1164","0.1346","","","","","","0.98","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240271","7.3058","0.0002","6.0582","0.0001","22.6041","0.0006","90","","91.1","0.002","90","","1000.27","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dihydroxybenzaldehyde 4-methylthiosemicarbazone","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C36 H44 N12 O8 S4 -","4","1","SU5033","Salam, M. A.; Hussein, Mouayed A.; Tiekink, Edward R. T.","Crystal structure of a new monoclinic polymorph of 2,4-dihydroxybenzaldehyde 4-methylthiosemicarbazone","Acta Crystallographica Section E","2015","71","1","58","61","10.1107/S2056989014026498","","","0.71073","MoKα","","0.0434","0.0347","","","0.0793","0.0861","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240272","5.7999","0.0002","10.0103","0.0006","30.405","0.0018","90","","90","","90","","1765.28","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitromethyl-1-[(<i>S</i>)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C68 H88 N8 O16 S4 -","4","1","SU5036","Zárate, Araceli; Aparicio, David; Palillero, Angel; Mendoza, Angel","Crystal structure of (2<i>S</i>,4<i>R</i>)-ethyl 4-nitromethyl-1-[(<i>S</i>)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate","Acta Crystallographica Section E","2015","71","1","o41","o42","10.1107/S2056989014026711","","","0.71073","MoKα","","0.0954","0.056","","","","0.1044","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240273","20.7745","0.0015","16.0107","0.0012","13.3084","0.001","90","","91.657","0.001","90","","4424.7","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate","","- C40 H26 F12 Fe N8 O9 S4 -","- C40 H26 F12 Fe N8 O9 S4 -","- C160 H104 F48 Fe4 N32 O36 S16 -","4","0.5","WM5100","Teramoto, Kazunori; Kawasaki, Takeshi; Nishide, Toshikazu; Ikeda, Yasuhisa","Crystal structure of tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate","Acta Crystallographica Section E","2015","71","1","m8","m9","10.1107/S2056989014026966","","","0.71073","MoKα","","0.0881","0.0484","","","0.1072","0.1218","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240274","14.5263","0.0006","13.5383","0.0004","16.0726","0.0007","90","","105.535","0.003","90","","3045.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate","","- C32 H24 Mn N8 S2 -","- C32 H24 Mn N8 S2 -","- C128 H96 Mn4 N32 S8 -","4","1","WM5090","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate","Acta Crystallographica Section E","2015","71","1","m3","m4","10.1107/S205698901402516X","","","0.71073","MoKα","","0.0489","0.0405","","","0.0902","0.0941","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240275","7.2495","0.0002","9.3759","0.0003","13.5949","0.0003","90","","94.454","0.001","90","","921.26","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Carbamothioylpyridinium thiocyanate","","- C7 H7 N3 S2 -","- C7 H7 N3 S2 -","- C28 H28 N12 S8 -","4","1","BQ2397","Bouchareb, Hasna; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Chtoun, El Hossain","Crystal structure of 3-carbamothioylpyridinium thiocyanate","Acta Crystallographica Section E","2015","71","1","o30","o31","10.1107/S2056989014026437","","","0.71073","MoKα","","0.0577","0.0451","","","0.1299","0.1396","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240276","16.014","0.0005","13.825","0.0005","7.572","0.0002","90","","102.946","0.002","90","","1633.78","0.09","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Poly[dodeca-μ-cyanido-diiron(III)triplatinum(II)]","","- C12 Fe2 N12 Pt3 -","- C12 Fe2 N12 Pt3 -","- C24 Fe4 N24 Pt6 -","2","0.25","WM5094","Seredyuk, Maksym; Muñoz, M. Carmen; Real, José A.; Iskenderov, Turganbay S.","Crystal structure of the coordination polymer [Fe^III^~2~{Pt^II^(CN)~4~}~3~]","Acta Crystallographica Section E","2015","71","1","i1","i2","10.1107/S2056989014026188","","","0.71073","MoKα","","0.0512","0.0383","","","0.0979","0.1059","","","","","","0.968","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240277","12.8054","0.0008","13.5328","0.0009","7.1888","0.0006","90","","112.239","0.008","90","","1153.1","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium sodium cobalt tris(molybdate)","","- Co K0.4 Mo3 Na3.6 O12 -","- Co K0.402 Mo3 Na3.597 O12 -","- Co4 K1.608 Mo12 Na14.388 O48 -","4","0.5","BR2244","Nasri, Rawia; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi","Structure cristalline de type alluaudite K~0.4~Na~3.6~Co(MoO~4~)~3~","Acta Crystallographica Section E","2015","71","1","4","7","10.1107/S2056989014025894","","","0.71073","MoKα","","0.0286","0.0217","","","0.0538","0.0558","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240278","15.1993","0.0006","6.9377","0.0004","7.8771","0.0007","90","","93.869","0.003","90","","828.73","0.09","233","2","233","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","3-Bromo-4-dimethylamino-1-methyl-1,2,4-triazol-5(4<i>H</i>)-one","","- C5 H9 Br N4 O -","- C5 H9 Br N4 O -","- C20 H36 Br4 N16 O4 -","4","0.5","FJ2686","Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Schottenberger, Herwig","Crystal structure of 3-bromo-4-dimethylamino-1-methyl-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","1","o23","","10.1107/S205698901402636X","","","0.71073","MoKα","","0.0334","0.0283","","","0.0631","0.065","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240279","11.497","0.0018","11.4527","0.0018","14.867","0.002","90","","109.615","0.004","90","","1844","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,9-Dimethyl-7<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one 0.40-hydrate","","- C7 H9.8 N5 O1.4 -","- C7 H9.8 N5 O1.4 -","- C56 H78.4 N40 O11.2 -","8","1","RZ5141","Harmaoui, Abdellah; Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 6,9-dimethyl-7<i>H</i>-[1,2,4]triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one 0.40-hydrate","Acta Crystallographica Section E","2015","71","1","o1","o2","10.1107/S2056989014025687","","","0.71073","MoKα","","0.0556","0.0424","","","0.1126","0.1246","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240280","12.608","0.0001","13.6849","0.0002","8.4467","0.0001","90","","102.051","0.001","90","","1425.27","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1,3-Dioxoindan-2-yl)isoquinoline-1,3,4-trione","","- C18 H9 N O5 -","- C18 H9 N O5 -","- C72 H36 N4 O20 -","4","1","","Ghalib, Raza Murad; Chidan Kumar, C. S.; Hashim, Rokiah; Sulaiman, Othman; Fun, Hoong-Kun","Crystal structure of 2-(1,3-dioxoindan-2-yl)isoquinoline-1,3,4-trione","Acta Crystallographica Section E","2015","71","1","o6","o7","10.1107/S2056989014025997","","","1.54178","CuKα","","0.036","0.0346","","","0.0922","0.0934","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240281","11.046","0.002","12.2941","0.0015","14.0978","0.0016","90","","94.74","0.016","90","","1907.9","0.5","298","2","298","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridopalladium nitrate","","- C14 H23 Cl N6 O3 Pd -","- C14 H23 Cl N6 O3 Pd -","- C56 H92 Cl4 N24 O12 Pd4 -","4","1","WM5076","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures","Acta Crystallographica Section E","2015","71","1","22","27","10.1107/S205698901402595X","","","0.71073","MoKα","","0.1064","0.0601","","","0.1331","0.1575","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240282","10.934","0.006","12.443","0.004","14.112","0.006","90","","94.76","0.04","90","","1913.3","1.5","298","2","298","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}bromidopalladium nitrate","","- C14 H23 Br N6 O3 Pd -","- C14 H23 Br N6 O3 Pd -","- C56 H92 Br4 N24 O12 Pd4 -","4","1","WM5076","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures","Acta Crystallographica Section E","2015","71","1","22","27","10.1107/S205698901402595X","","","0.71073","MoKα","","0.0807","0.0508","","","0.1252","0.1484","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240283","12.013","0.004","12.089","0.004","15.162","0.005","106.17","0.02","97.34","0.03","106.79","0.03","1972.1","1.3","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","{Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}iodidopalladium iodide hemihydrate","","- C14 H24 I2 N5 O0.5 Pd -","- C14 H24 I2 N5 O0.5 Pd -","- C56 H96 I8 N20 O2 Pd4 -","4","2","WM5076","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures","Acta Crystallographica Section E","2015","71","1","22","27","10.1107/S205698901402595X","","","0.71073","MoKα","","0.0763","0.0396","","","0.0832","0.1012","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240284","8.132","0.003","22.851","0.005","11.372","0.003","90","","109.03","0.02","90","","1997.7","1","296","2","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Azido{bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}palladium azide monohydrate","","- C14 H25 N11 O Pd -","- C14 H25 N11 O Pd -","- C56 H100 N44 O4 Pd4 -","4","1","WM5076","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures","Acta Crystallographica Section E","2015","71","1","22","27","10.1107/S205698901402595X","","","0.71073","MoKα","","0.0425","0.036","","","0.091","0.0971","","","","","","1.076","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240285","9.0286","0.0017","10.532","0.002","13.066","0.003","94.838","0.014","100.947","0.012","103.989","0.013","1172.5","0.4","298","2","298","1","","","","","","","","5","P -1","-P 1","2","","Bis[{bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-\ κ<i>N</i>}(thiocyanato-κ<i>N</i>)palladium] tetrakis(thiocyanato-κ<i>S</i>)palladate","","- C34 H46 N16 Pd3 S6 -","- C34 H46 N16 Pd3 S6 -","- C34 H46 N16 Pd3 S6 -","1","0.5","WM5076","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures","Acta Crystallographica Section E","2015","71","1","22","27","10.1107/S205698901402595X","","","0.71073","MoKα","","0.0425","0.0389","","","0.1027","0.1069","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240286","18.2073","0.0005","11.7758","0.0003","9.995","0.0003","90","","93.226","0.001","90","","2139.59","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[2-((1<i>E</i>)-{(1<i>E</i>)-2-[2-(2-ethoxy-2-oxoethoxy)benzylidene]hydrazin-1-ylidene}methyl)phenoxy]acetate","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","0.5","HB7321","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Omran, Omran A.","Crystal structure of ethyl 2-[2-((1<i>E</i>)-{(1<i>E</i>)-2-[2-(2-ethoxy-2-oxoethoxy)benzylidene]hydrazin-1-ylidene}methyl)phenoxy]acetate","Acta Crystallographica Section E","2015","71","1","o16","","10.1107/S2056989014025584","","","1.54178","CuKα","","0.0419","0.0346","","","0.0877","0.0935","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240287","5.9548","0.0003","10.551","0.0004","8.5747","0.0003","90","","100.568","0.002","90","","529.6","0.04","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2-Dichloro-1-(piperidin-1-yl)butane-1,3-dione","","- C9 H13 Cl2 N O2 -","- C9 H13 Cl2 N O2 -","- C18 H26 Cl4 N2 O4 -","2","1","","Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)butane-1,3-dione","Acta Crystallographica Section E","2015","71","1","o19","","10.1107/S2056989014026164","","","0.71073","MoKα","","0.0244","0.0239","","","0.0587","0.0592","","","","","","1.087","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240288","12.7055","0.0006","15.5909","0.0005","8.1035","0.0003","90","","93.982","0.003","90","","1601.35","0.11","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-cyclopentadienyl)(2,3-diethylbutane-1,4-diyl)hafnium(IV)","","- C18 H26 Hf -","- C18 H26 Hf -","- C72 H104 Hf4 -","4","1","","Burlakov, Vladimir V.; Baumann, Wolfgang; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe","Crystal structure of bis(η^5^-cyclopentadienyl)(2,3-diethylbutane-1,4-diyl)hafnium(IV)","Acta Crystallographica Section E","2015","71","1","m7","","10.1107/S2056989014026929","","","0.71073","MoKα","","0.0414","0.0319","","","0.0666","0.0688","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240289","8.971","0.0003","9.3794","0.0004","24.9788","0.0009","90","","99.002","0.002","90","","2075.89","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzylamino-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","","- C24 H22 Br N3 -","- C24 H22 Br N3 -","- C96 H88 Br4 N12 -","4","1","SU5027","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structures of 2-benzylamino-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile and 2-benzylamino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","1","12","15","10.1107/S2056989014025936","","","0.71073","MoKα","","0.0648","0.0405","","","0.0871","0.0988","","","","","","1.095","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240290","9.002","0.005","10.097","0.005","11.856","0.005","94.939","0.005","108.204","0.005","101.272","0.005","991.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylamino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","","- C24 H22 Cl N3 -","- C24 H22 Cl N3 -","- C48 H44 Cl2 N6 -","2","1","SU5027","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structures of 2-benzylamino-4-(4-bromophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile and 2-benzylamino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","1","12","15","10.1107/S2056989014025936","","","0.71073","MoKα","","0.0522","0.037","","","0.0936","0.1048","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240291","14.9115","0.0006","6.6899","0.0003","15.6215","0.0007","90","","102.956","0.002","90","","1518.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate","","- C14 H21 Cl N2 O2 -","- C14 H21 Cl N2 O2 -","- C56 H84 Cl4 N8 O8 -","4","1","","Prathebha, K.; Reuben Jonathan, D.; Revathi, B. K; Sathya, S.; Usha, G.","Crystal structure of 4-chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate","Acta Crystallographica Section E","2015","71","1","o39","o40","10.1107/S2056989014026851","","","0.71073","MoKα","","0.1088","0.0506","","","0.1268","0.1604","","","","","","1.013","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240292","9.942","0.003","11.907","0.003","17.726","0.005","90","","100.52","0.03","90","","2063.1","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>O</i>-Isopropyl [bis(trimethylsilyl)amino](<i>tert</i>-butylamino)phosphinothioate","","- C13 H35 N2 O P S Si2 -","- C13 H35 N2 O P S Si2 -","- C52 H140 N8 O4 P4 S4 Si8 -","4","1","","Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Brusylovets, Oleksii A.; Lis, Tadeusz","Crystal structure of <i>O</i>-isopropyl [bis(trimethylsilyl)amino](<i>tert</i>-butylamino)phosphinothioate","Acta Crystallographica Section E","2015","71","1","o37","o38","10.1107/S205698901402622X","","","0.71073","MoKα","","0.0552","0.0408","","","0.1101","0.1154","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240293","7.3668","0.0011","8.9833","0.0012","9.9733","0.0018","75.0136","0.0017","77.2716","0.0017","88.5706","0.0018","621.54","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium monohydrate","","- C9 H14 N2 O8 P2 -","- C9 H14 N2 O8 P2 -","- C18 H28 N4 O16 P4 -","2","1","SU5037","Airoldi, Annalisa; Bettoni, Piergiorgio; Donnola, Monica; Calestani, Gianluca; Rizzoli, Corrado","Crystal structure of zwitterionic 3-(2-hydroxy-2-phosphonato-2-phosphonoethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium monohydrate (minodronic acid monohydrate): a redetermination","Acta Crystallographica Section E","2015","71","1","51","54","10.1107/S2056989014026863","","","0.71073","MoKα","","0.0415","0.0346","","","0.0969","0.1007","","","","","","1.072","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240294","6.0101","0.0004","7.176","0.0005","9.8528","0.0006","90","","93.19","0.004","90","","424.28","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","γ-Methy-<i>L</i>-glutamate <i>N</i>-carboxy anhydride","(<i>S</i>)-4-[2-(Methoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione","","- C7 H9 N O5 -","- C7 H9 N O5 -","- C14 H18 N2 O10 -","2","1","IS5376","Kanazawa, Hitoshi; Inada, Aya; Sakon, Aya; Uekusa, Hidehiro","Crystal structure of γ-methyl <small>L</small>-glutamate <i>N</i>-carboxy anhydride","Acta Crystallographica Section E","2015","71","1","48","50","10.1107/S2056989014026917","","","1.54186","CuKα","","0.0594","0.0421","","","0.0826","0.0881","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240295","8.2884","0.0009","17.4526","0.0014","13.2715","0.0014","90","","107.838","0.003","90","","1827.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Bis(μ-β-alanine-κ^2^<i>O</i>:<i>O</i>')bis[trichloridorhenium(III)](<i>Re</i>‒<i>Re</i>) sesquihydrate","","- C6 H17 Cl6 N2 O5.5 Re2 -","- C6 H16 Cl6 N2 O5.5 Re2 -","- C24 H64 Cl24 N8 O22 Re8 -","4","1","","Golichenko, Alexander A.; Domasevitch, Konstantin V.; Kytova, Dina E.; Shtemenko, Alexander V.","Crystal structure of <i>cis</i>-bis(μ-β-alanine-κ^2^<i>O</i>:<i>O</i>')bis[trichloridorhenium(III)](<i>Re</i>‒<i>Re</i>) sesquihydrate","Acta Crystallographica Section E","2015","71","1","45","47","10.1107/S2056989014026620","","","0.71073","MoKα","","0.0332","0.0308","","","0.0739","0.0748","","","","","","1.258","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240296","5.6782","0.0002","11.9822","0.0004","20.2528","0.0007","90","","90.891","0.002","90","","1377.78","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Azaniumyl-3-bromo-6-oxo-5,6-dihydropyrido[1,2-<i>a</i>]quinoxalin-11-ium dibromide","","- C12 H10 Br3 N3 O -","- C12 H10 Br3 N3 O -","- C48 H40 Br12 N12 O4 -","4","1","XU5829","Faizi, Md. Serajul Haque; Sharkina, Natalia O.; Iskenderov, Turganbay S.","Crystal structure of 2-azaniumyl-3-bromo-6-oxo-5,6-dihydropyrido[1,2-<i>a</i>]quinoxalin-11-ium dibromide","Acta Crystallographica Section E","2015","71","1","o17","o18","10.1107/S2056989014026127","","","0.71073","MoKα","","0.0621","0.0472","","","0.1248","0.1295","","","","","","0.968","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240297","10.075","0.004","14.549","0.006","24.208","0.008","90","","90.662","0.008","90","","3548","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2,6-Dimethylphenyl)benzenecarboximidamide tetrahydrofuran monosolvate","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","2","","Zhao, Jian-Ping; Liu, Rui-Qin; Jiang, Zhi-Hao; Bai, Sheng-Di","Crystal structure of <i>N</i>'-(2,6-dimethylphenyl)benzenecarboximidamide tetrahydrofuran monosolvate","Acta Crystallographica Section E","2015","71","1","o28","o29","10.1107/S2056989014026255","","","0.71073","MoKα","","0.1431","0.0537","","","0.1228","0.1589","","","","","","1.003","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240298","13.5604","0.0007","9.7578","0.0006","9.3079","0.0004","90","","95.194","0.003","90","","1226.56","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Frambione-Thiosemicarbazone","(<i>E</i>)-2-[4-(4-Hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C44 H60 N12 O4 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; Feitosa, Bárbara Regina Santos; Rocha, Fillipe Vieira","Crystal structure of (<i>E</i>)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2015","71","1","o33","o34","10.1107/S2056989014026401","","","0.71073","MoKα","","0.0986","0.0434","","","0.0979","0.1163","","","","","","0.977","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240299","7.281","0.005","15.148","0.011","10.903","0.008","90","","90","","90","","1202.5","1.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(<i>N</i>,<i>N</i>-dimethylacetamide-κ<i>O</i>)(μ~4~-5-methylisophthalato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')manganese(II)]","","- C12 H13 Mn N O5 -","- C12 H13 Mn N O5 -","- C48 H52 Mn4 N4 O20 -","4","1","","Jin, Lan; Zha, Li-Li; Gao, San; Yang, Shi-Yao; Huang, Rong-Bin","Crystal structure of poly[(<i>N</i>,<i>N</i>-dimethylacetamide-κ<i>O</i>)(μ~4~-5-methylisophthalato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')manganese(II)]","Acta Crystallographica Section E","2015","71","1","m1","m2","10.1107/S2056989014025626","","","0.71073","MoKα","","0.0252","0.024","","","0.0589","0.0593","","","","","","1.071","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240300","9.1617","0.0006","12.5518","0.0008","13.9305","0.0008","84.669","0.003","88.468","0.003","72.364","0.003","1520.05","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","8-[7,8-Bis(4-chlorobenzoyl)-7<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-9-yl]\ naphthalene-1-carboxylic acid","","- C40 H22 Cl2 O4 -","- C40 H22 Cl2 O4 -","- C80 H44 Cl4 O8 -","2","1","HB7324","Jacob, Jomon P.; Sithambaresan, M.; Kunjachan, Christy; Kurup, M. R. Prathapachandra","Crystal structure of 8-[7,8-bis(4-chlorobenzoyl)-7<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-9-yl]naphthalene-1-carboxylic acid","Acta Crystallographica Section E","2015","71","1","38","41","10.1107/S2056989014026334","","","0.71073","MoKα","","0.0706","0.0546","","","0.1323","0.1537","","","","","","1.162","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240301","13.3438","0.0012","13.3438","0.0012","40.237","0.007","90","","90","","90","","7164.5","1.5","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","<i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-Oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate","","- C36 H36 N4 O4.75 S2 -","- C36 H36 N4 O4.75 S2 -","- C288 H288 N32 O38 S16 -","8","1","HB7315","Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.","Crystal structure of <i>N</i>-[(2<i>S</i>,5<i>R</i>)-4-oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate","Acta Crystallographica Section E","2015","71","1","62","64","10.1107/S2056989014026425","","","0.71073","MoKα","","0.0903","0.0662","","","0.198","0.216","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240302","8.7927","0.0004","12.5979","0.0006","10.9254","0.0004","90","","106.098","0.003","90","","1162.75","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","","- C11 H13 N3 O2 S -","- C11 H13 N3 O2 S -","- C44 H52 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Näther, Christian; Jess, Inke; de Farias, Renan Lira; Ribeiro, Iasmin Alves","Crystal structure of (<i>E</i>)-2-[1-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide","Acta Crystallographica Section E","2015","71","1","o35","o36","10.1107/S2056989014026395","","","0.71073","MoKα","","0.0472","0.038","","","0.0914","0.0957","","","","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240303","5.5865","0.0002","9.2195","0.0004","10.1924","0.0004","85.798","0.002","84.686","0.002","77.166","0.002","508.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1-Methanesulfonyl-1,2,3,4-tetrahydroquinoline","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","HB7314","Jeyaseelan, S.; Nagendra Babu, S. L.; Venkateshappa, G.; Raghavendra Kumar, P.; Palakshamurthy, B. S.","Crystal structure of 1-methanesulfonyl-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2015","71","1","o20","","10.1107/S2056989014025353","","","0.71073","MoKα","","0.0398","0.0376","","","0.1031","0.1055","","","","","","1.069","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240304","9.3402","0.0007","9.7999","0.0007","10.2132","0.0008","65.755","0.003","69.983","0.002","89.212","0.003","792.08","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(Dimethylamino)pyridinium 4-aminobenzoate dihydrate","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C28 H42 N6 O8 -","2","1","HB7333","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Crystal structure of 4-(dimethylamino)pyridinium 4-aminobenzoate dihydrate","Acta Crystallographica Section E","2015","71","1","o26","o27","10.1107/S2056989014026310","","","0.71073","MoKα","","0.0863","0.0539","","","0.1384","0.1678","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240305","8.21","0.0016","11.53","0.002","14.516","0.003","108.67","0.03","98.5","0.03","100.81","0.03","1246.4","0.5","297","","297","","","","","","","","","5","P -1","-P 1","2","","Dioxidobis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')[1-phenyl-3-(pyridin-4-yl)propane-κ<i>N</i>]uranium(VI)","","- C24 H29 N O6 U -","- C24 H29 N O6 U -","- C48 H58 N2 O12 U2 -","2","1","CQ2012","Kawasaki, Takeshi; Kitazawa, Takafumi","Crystal structure of dioxidobis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')[1-phenyl-3-(pyridin-4-yl)propane-κ<i>N</i>]uranium(VI)","Acta Crystallographica Section E","2015","71","1","42","44","10.1107/S2056989014026607","","","0.71073","MoKα","","0.0347","0.0268","","","0.0539","0.056","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240306","7.704","0.006","16.706","0.012","11.617","0.009","90","","93.88","0.014","90","","1492","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","PAIMP","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}phenol","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","SU5028","Faizi, Md. Serajul Haque; Iskenderov, Turganbay S.; Sharkina, Natalia O.","Crystal structure of (<i>E</i>)-2-{[(4-anilinophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","1","28","30","10.1107/S2056989014026309","","","0.71073","MoKα","","0.0596","0.0448","","","0.1102","0.1267","","","","","","0.971","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240307","13.192","0.0006","5.3176","0.0002","16.8641","0.0007","90","","100.288","0.002","90","","1163.99","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Cyclopropyl-6-methyl-<i>N</i>-phenylpyrimidin-2-amine","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","HG5422","Jeon, Youngeun; Kang, Gihaeng; Cho, Seonghwa; Kim, Tae Ho","Crystal structure of cyprodinil","Acta Crystallographica Section E","2015","71","1","o5","","10.1107/S2056989014025742","","","0.71073","MoKα","","0.0643","0.0564","","","0.1601","0.1655","","","","","","1.143","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240308","6.93986","0.00015","7.6629","0.0005","13.9475","0.0005","83.945","0.003","87.6039","0.0016","85.117","0.004","734.5","0.06","190","","190","2","","","","","","","","5","P -1","-P 1","2","","Isoquinoline113-chloro-2-nitrobenzoic acid (1/1)","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of isoquinoline‒3-chloro-2-nitrobenzoic acid (1/1) and isoquinolinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2015","71","1","31","34","10.1107/S2056989014026152","","","0.71075","MoKα","","0.0398","0.0337","","","0.0925","0.0977","","","","","","1.077","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2240309","7.5916","0.0003","7.7607","0.0003","13.0456","0.0004","74.836","0.0011","80.1736","0.001","80.3642","0.0013","724.84","0.05","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","Isoquinolinium 4-chloro-2-nitrobenzoate","","- C16 H11 Cl N2 O4 -","- C16 H11 Cl N2 O4 -","- C32 H22 Cl2 N4 O8 -","2","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of isoquinoline‒3-chloro-2-nitrobenzoic acid (1/1) and isoquinolinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2015","71","1","31","34","10.1107/S2056989014026152","","","0.71075","MoKα","","0.0455","0.0392","","","0.1122","0.1171","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240310","8.0701","0.0001","9.8661","0.0002","8.9944","0.0002","90","","115.242","0.001","90","","647.76","0.02","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Magnesium copper(II) bis[orthophosphate(V)] monohydrate","","- Cu1.35 H2 Mg1.65 O9 P2 -","- Cu1.343 H2 Mg1.657 O9 P2 -","- Cu5.372 H8 Mg6.628 O36 P8 -","4","1","WM5097","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of magnesium copper(II) bis[orthophosphate(V)] monohydrate","Acta Crystallographica Section E","2015","71","1","55","57","10.1107/S2056989014026930","","","0.71073","MoKα","","0.0212","0.0201","","","0.0578","0.0584","","","","","","1.242","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240311","8.9905","0.0018","11.351","0.002","11.482","0.002","119.52","0.03","94.51","0.03","90.23","0.03","1015.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,7,8,9-Tetrachloro-4-(3,5-dichlorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C17 H11 Cl6 N O4 -","- C17 H11 Cl6 N O4 -","- C34 H22 Cl12 N2 O8 -","2","1","CV5477","Liu, He; Zhong, Jia-liang; Sun, Wen-xia; Gong, Yan-qing; Liu, Li-hong","Crystal structure of 1,7,8,9-tetrachloro-4-(3,5-dichlorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2015","71","1","o14","o15","10.1107/S2056989014025961","","","0.71073","MoKα","","0.0513","0.0428","","","0.1054","0.1107","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240312","12.4554","0.0006","8.2204","0.0004","30.6681","0.0017","90","","90","","90","","3140.1","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","HB7328","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","Acta Crystallographica Section E","2015","71","1","o24","o25","10.1107/S2056989014026292","","","0.71073","MoKα","","0.0718","0.0429","","","0.0963","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240313","20.5663","0.0012","15.2878","0.0009","14.5689","0.0008","90","","107.938","0.004","90","","4358","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-Benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one","","- C27 H26 O3 -","- C27 H26 O3 -","- C216 H208 O24 -","8","2","","Sathya, S.; Reuben Jonathan, D.; Sidharthan, J.; Vasanthi, R.; Usha, G.","Crystal structure of 5-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one","Acta Crystallographica Section E","2015","71","1","16","18","10.1107/S2056989014025390","","","0.71073","MoKα","","0.1517","0.0633","","","0.1656","0.1929","","","","","","0.994","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240314","8.1653","0.0003","27.6113","0.0011","29.6818","0.0013","90","","90","","90","","6691.9","0.5","150","2","150","2","","","","","","","","4","F 2 d d","F -2d 2","43","","(<i>Z</i>)-2-[(<i>E</i>)-2-Benzylidenehydrazin-1-ylidene]-1,2-diphenylethanone","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C336 H256 N32 O16 -","16","1","SU5029","Bouchama, Abdelaziz; Yahiaoui, Messaoud; Chiter, Chaabane; Setifi, Zouaoui; Simpson, Jim","Crystal structure of (<i>Z</i>)-2-[(<i>E</i>)-2-benzylidenehydrazin-1-ylidene]-1,2-diphenylethanone","Acta Crystallographica Section E","2015","71","1","35","37","10.1107/S2056989014026358","","","0.71073","MoKα","","0.0438","0.0386","","","0.091","0.0939","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240315","8.5947","0.0006","18.2401","0.0017","16.9272","0.0013","90","","90","","90","","2653.6","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","[<i>N</i>,<i>N</i>'-Bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>'](nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)","","- C28 H28 N5 O5 Tb -","- C28 H28 N5 O5 Tb -","- C112 H112 N20 O20 Tb4 -","4","0.5","LH5741","Gregório, Thaiane; Rüdiger, André Luis; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structure of an eight-coordinate terbium(III) ion chelated by <i>N</i>,<i>N</i>'-bis(2-hydroxybenzyl)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen^2{-^}) and nitrate","Acta Crystallographica Section E","2015","71","1","65","68","10.1107/S2056989014026826","","","0.71073","MoKα","","0.0105","0.0102","","","0.0265","0.0266","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240316","9.6397","0.0006","13.6008","0.0008","15.0461","0.001","83.6966","0.0019","77.488","0.002","77.9768","0.0018","1879.2","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(4<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-4-[(1<i>RS</i>,2<i>RS</i>,3<i>RS</i>,6<i>RS</i>)-3-Benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate","","- C42 H50 O10 -","- C42 H50 O10 -","- C84 H100 O20 -","2","1","IS5382","Oishi, Takeshi; Yamaguchi, Yuu; Fukaya, Keisuke; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structure of (±)-(4<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-4-[(1<i>RS</i>,2<i>RS</i>,3<i>RS</i>,6<i>RS</i>)-3-benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate","Acta Crystallographica Section E","2015","71","1","8","11","10.1107/S2056989014026048","","","0.71073","MoKα","","0.059","0.0419","","","0.1224","0.1506","","","","","","0.932","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240317","21.137","0.005","6.4979","0.0014","16.235","0.004","90","","121.949","0.002","90","","1892","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[3-(1<i>H</i>-Benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I)","","- C20 H19 Cu N4 O4 -","- C20 H19 Cu N4 O4 -","- C80 H76 Cu4 N16 O16 -","4","0.5","","Liu, Zhimin; Zheng, Shengrun; Feng, Sisi","Crystal structure of [3-(1<i>H</i>-benzimidazol-2-yl)propanoato-κ<i>N</i>^3^][3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid-κ<i>N</i>^3^]copper(I)","Acta Crystallographica Section E","2015","71","1","m5","m6","10.1107/S2056989014026656","","","0.71073","MoKα","","0.0565","0.0382","","","0.0906","0.1011","","","","","","1.009","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240318","11.8549","0.0004","11.607","0.0005","13.1591","0.0005","90","","107.425","0.003","90","","1727.6","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-4-[1-(4-Acetylanilino)ethylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","HB7330","Mahfouz, Refaat M.; Demircioğlu, Zeynep; Abbady, Mohamed S.; Büyükgüngör, Orhan","Crystal structure of (<i>Z</i>)-4-[1-(4-acetylanilino)ethylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","1","94","96","10.1107/S2056989014026899","","","0.71073","MoKα","","0.069","0.0498","","","0.1172","0.1264","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240319","7.9415","0.0016","8.5796","0.0017","12.756","0.003","77.08","0.03","79.5","0.03","67.83","0.03","779.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-[Bis(methylsulfonyl)methyl]-1,3-dimethyl-5-(methylsulfonyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C10 H16 N2 O9 S3 -","- C10 H16 N2 O9 S3 -","- C20 H32 N4 O18 S6 -","2","1","","Mallah, Eyad; Al-Sheikh, Ahmed; Sweidan, Kamal; Abu Dayyih, Wael; Steimann, Manfred","Crystal structure of 5-[bis(methylsulfonyl)methyl]-1,3-dimethyl-5-(methylsulfonyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","Acta Crystallographica Section E","2015","71","1","o58","o59","10.1107/S2056989014027455","","","0.71073","MoKα","","0.0802","0.0598","","","0.0994","0.1049","","","","","","1.241","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240320","6.33","0.0001","22.0241","0.0005","10.1179","0.0002","90","","95.2083","0.0012","90","","1404.74","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,4<i>S</i>)-1-[(Morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","2","RZ5144","Outouch, Rachid; Oubaassine, Saadia; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke","Crystal structure of (1<i>S</i>,2<i>R</i>,4<i>S</i>)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol","Acta Crystallographica Section E","2015","71","1","79","81","10.1107/S2056989014027169","","","0.71073","MoKα","","0.0326","0.031","","","0.081","0.0823","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240321","6.6213","0.0005","7.0517","0.0005","14.0864","0.001","101.957","0.007","90.047","0.006","106.657","0.007","615.17","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Fluorophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 F N O3 -","- C16 H10 F N O3 -","- C32 H20 F2 N2 O6 -","2","1","LH5743","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides","Acta Crystallographica Section E","2015","71","1","88","93","10.1107/S2056989014027054","","","0.71075","MoKα","","0.0494","0.0442","","","0.1291","0.1348","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240322","6.6325","0.0012","7.0577","0.0012","14.671","0.003","103.536","0.007","89.714","0.006","105.589","0.007","641.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chlorophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 Cl N O3 -","- C16 H10 Cl N O3 -","- C32 H20 Cl2 N2 O6 -","2","1","LH5743","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides","Acta Crystallographica Section E","2015","71","1","88","93","10.1107/S2056989014027054","","","0.71075","MoKα","","0.0697","0.056","","","0.1347","0.1454","","","","","","0.988","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240323","6.6505","0.0005","9.358","0.0007","11.006","0.0008","100.28","0.006","90.461","0.006","100.884","0.006","661.23","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Bromophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C32 H20 Br2 N2 O6 -","2","1","LH5743","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides","Acta Crystallographica Section E","2015","71","1","88","93","10.1107/S2056989014027054","","","0.71075","MoKα","","0.034","0.0267","","","0.0569","0.058","","","","","","0.936","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240324","6.675","0.0005","9.4166","0.0007","11.2673","0.0008","100.974","0.006","90.769","0.006","100.062","0.006","683.77","0.09","120","2","120","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Iodophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 I N O3 -","- C16 H10 I N O3 -","- C32 H20 I2 N2 O6 -","2","1","LH5743","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides","Acta Crystallographica Section E","2015","71","1","88","93","10.1107/S2056989014027054","","","0.71075","MoKα","","0.02","0.0177","","","0.0432","0.0435","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240325","6.2972","0.0001","15.4896","0.0002","9.3709","0.0002","90","","108.92","0.001","90","","864.66","0.03","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2-Dichloro-1-(piperidin-1-yl)ethanone","","- C7 H11 Cl2 N O -","- C7 H11 Cl2 N O -","- C28 H44 Cl8 N4 O4 -","4","1","","Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)ethanone","Acta Crystallographica Section E","2015","71","1","o47","","10.1107/S205698901402708X","","","0.71073","MoKα","","0.0212","0.0202","","","0.0507","0.0513","","","","","","1.067","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240326","7.989","0.0002","8.8411","0.0003","8.3434","0.0002","90","","90","","90","","589.31","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[μ~4~-tartrato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^4^:<i>O</i>^4'^-lead]","","- C4 H4 O6 Pb -","- C4 H4 O6 Pb -","- C16 H16 O24 Pb4 -","4","1","","Weil, Matthias","Crystal structure of lead(II) tartrate: a redetermination","Acta Crystallographica Section E","2015","71","1","82","84","10.1107/S2056989014027376","","","0.71073","MoKα","","0.0309","0.0205","","","0.0391","0.0415","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240327","8.1219","0.0004","4.4962","0.0002","21.5327","0.0009","90","","96.706","0.003","90","","780.94","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,4'-Diamino-3,3',5,5'-tetrabromobibenzyl","4,4'-(Ethane-1,2-diyl)bis(2,6-dibromoaniline)","","- C14 H12 Br4 N2 -","- C14 H12 Br4 N2 -","- C28 H24 Br8 N4 -","2","0.5","","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 4,4'-(ethane-1,2-diyl)bis(2,6-dibromoaniline)","Acta Crystallographica Section E","2015","71","1","97","99","10.1107/S2056989014027182","","","0.71073","MoKα","","0.0274","0.0228","","","0.0554","0.0573","","","","","","1.05","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240328","20.354","0.005","7.534","0.005","21.801","0.005","90","0.005","90","0.005","90","0.005","3343","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","DQMBD","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","HG5416","Faizi, Md. Serajul Haque; Siddiqui, Nazia; Javed, Saleem","Crystal structure of <i>N</i>^1^,<i>N</i>^1^-diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2015","71","1","o49","o50","10.1107/S2056989014027108","","","0.71073","MoKα","","0.1322","0.0839","","","0.1725","0.1952","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240329","12.6808","0.0006","9.3857","0.0005","16.3974","0.0007","90","","106.187","0.002","90","","1874.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-(4-Chlorophenyl)(phenyl)methylidene]-4-methylbenzenesulfonohydrazide","","- C20 H17 Cl N2 O2 S -","- C20 H17 Cl N2 O2 S -","- C80 H68 Cl4 N8 O8 S4 -","4","1","ZS2319","Balaji, J.; Prabu, S.; Xavier, J. J. F.; Srinivasan, P.","Crystal structure of <i>N</i>'-[(<i>E</i>)-(4-chlorophenyl)(phenyl)methylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","1","o45","o46","10.1107/S2056989014026723","","","0.71073","MoKα","","0.0625","0.0389","","","0.0869","0.1046","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240330","18.3667","0.0008","5.7898","0.0002","19.771","0.0007","90","","110.87","0.004","90","","1964.5","0.14","140","2","140","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F N O3 P -","- C22 H21 F N O3 P -","- C88 H84 F4 N4 O12 P4 -","4","1","SU5030","Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L.","Crystal structure of (<i>E</i>)-1-{2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]naphthalen-1-yl}-<i>N</i>-(4-fluorophenyl)methanimine","Acta Crystallographica Section E","2015","71","1","85","87","10.1107/S2056989014026838","","","0.71073","Mo-Kα","","0.0614","0.0441","","","0.0909","0.0968","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240331","23.722","0.001","8.8117","0.0003","10.3903","0.0005","90","","90","","90","","2171.9","0.16","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","0.5","MW2128","Ouari, Kamel; Bendia, Sabrina; Merzougui, Moufida; Bailly, Corinne","1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","Acta Crystallographica Section E","2015","71","1","o51","o52","10.1107/S2056989014027236","","","0.71073","MoKα","","0.133","0.0538","","","0.1232","0.1603","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240332","6.8397","0.0007","9.1952","0.0008","9.7562","0.001","76.121","0.008","73.935","0.009","78.517","0.008","566.59","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(3-bromopyridine-κ<i>N</i>)bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)","","- C16 H18 Br2 N2 Ni O2 S4 -","- C16 H18 Br2 N2 Ni O2 S4 -","- C16 H18 Br2 N2 Ni O2 S4 -","1","0.5","","Kant, Rajni; Kour, Gurvinder; Anthal, Sumati; Neerupama; Sachar, Renu","Crystal structure of bis(3-bromopyridine-κ<i>N</i>)bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section E","2015","71","1","m12","m13","10.1107/S2056989014027339","","","0.71073","MoKα","","0.0782","0.0485","","","0.0969","0.112","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240333","12.8943","0.0008","13.6295","0.0009","7.1809","0.0007","90","","112.437","0.005","90","","1166.46","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium pentasodium trimanganese hexakis(molybdate)","","- K Mn3 Mo6 Na5 O24 -","- K Mn3 Mo6 Na5 O24 -","- K2 Mn6 Mo12 Na10 O48 -","2","0.25","BR2245","Bouzidi, Chahira; Frigui, Wafa; Zid, Mohamed Faouzi","Structure cristalline de type alluaudite KNa~5~Mn~3~(MoO~4~)~6~","Acta Crystallographica Section E","2015","71","1","69","72","10.1107/S2056989014027030","","","0.71073","MoKα","","0.025","0.0209","","","0.0536","0.0551","","","","","","1.126","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240334","15.152","0.013","13.704","0.012","8.014","0.007","90","","90","","90","","1664","3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)","","- C15 H12 Cl3 Cr N4 -","- C15 H12 Cl3 Cr N4 -","- C60 H48 Cl12 Cr4 N16 -","4","0.5","WM5095","Yamaguchi-Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio","Crystal structure of <i>fac</i>-trichlorido[tris(pyridin-2-yl-<i>N</i>)amine]chromium(III)","Acta Crystallographica Section E","2015","71","1","73","75","10.1107/S2056989014027066","","","0.71073","MoKα","","0.0525","0.0377","","","0.1001","0.1126","","","","","","1.203","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240335","10.4965","0.0005","12.8118","0.0006","10.881","0.0004","90","","107.771","0.005","90","","1393.45","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>N</i>^3^,<i>O</i>^2'^] hemihydrate]","","- C5 H6 Li N2 O3.5 -","- C5 H6 Li N2 O3.5 -","- C40 H48 Li8 N16 O28 -","8","4","BG2542","Starosta, Wojciech; Leciejewicz, Janusz","Crystal structure of <i>catena</i>-poly[[[aqualithium(I)]-μ-pyrimidine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>N</i>^3^,<i>O</i>^2'^] hemihydrate]","Acta Crystallographica Section E","2015","71","1","76","78","10.1107/S2056989014026735","","","1.54184","CuKα","","0.0841","0.0606","","","0.1527","0.1773","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240336","7.9048","0.0002","8.7521","0.0002","22.7094","0.0005","90","","90","","90","","1571.12","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3,4-Bis(acetyloxy)-5-iodo-3,4-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","","- C12 H15 I O7 -","- C12 H15 I O7 -","- C48 H60 I4 O28 -","4","1","","Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A.; Shamim, Anwar; Tiekink, Edward R.T.","Crystal structure of [(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3,4-bis(acetyloxy)-5-iodo-3,4-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","Acta Crystallographica Section E","2015","71","1","o53","o54","10.1107/S205698901402564X","","","0.71073","MoKα","","0.0338","0.0282","","","0.0677","0.0709","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240337","12.0578","0.0012","14.5824","0.0015","22.275","0.002","90","","102.36","0.001","90","","3825.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zinc mesitycarboxylate","<i>catena</i>-Poly[[tris(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc]-μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C40 H44 O8 Zn2 -","- C40 H44 O8 Zn2 -","- C160 H176 O32 Zn8 -","4","1","","Yamamura, Masaki; Nabeshima, Tatsuya","Crystal structure of the one-dimensional metal‒organic polymer <i>catena</i>-poly[[tris(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc]-μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2015","71","1","m14","m15","10.1107/S2056989014027418","","","0.71073","MoKα","","0.0482","0.0344","","","0.0737","0.0796","","","","","","1.009","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240338","4.347","0.003","13.583","0.002","16.411","0.003","90","","90","","90","","969","0.7","294","","294","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichlorido{4-[(<i>E</i>)-(methoxyimino-κ<i>N</i>)methyl]-1,3-thiazol-2-amine-κ<i>N</i>^3^}palladium(II)","","- C5 H7 Cl2 N3 O Pd S -","- C5 H7 Cl2 N3 O Pd S -","- C20 H28 Cl8 N12 O4 Pd4 S4 -","4","1","WM5096","Dyakonenko, Viktorita V.; Zholob, Olga O.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.","Crystal structure of dichlorido{4-[(<i>E</i>)-(methoxyimino-κ<i>N</i>)methyl]-1,3-thiazol-2-amine-κ<i>N</i>^3^}palladium(II)","Acta Crystallographica Section E","2015","71","1","m10","m11","10.1107/S2056989014026619","","","0.71073","MoKα","","0.0238","0.0219","","","0.0464","0.0473","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240339","8.5805","0.0003","10.1281","0.0004","12.5883","0.0004","79.498","0.002","82.93","0.002","83.485","0.002","1062.82","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-{3,5-Dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]phenyl}-3-(2,6-difluorobenzoyl)urea","","- C20 H9 Cl3 F5 N3 O3 -","- C20 H9 Cl3 F5 N3 O3 -","- C40 H18 Cl6 F10 N6 O6 -","2","1","SJ5431","Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of chlorfluazuron","Acta Crystallographica Section E","2015","71","1","o55","","10.1107/S2056989014026632","","","0.71073","MoKα","","0.0614","0.0462","","","0.1171","0.1271","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240340","14.631","0.004","7.0633","0.0019","8.786","0.002","90","","93.53","0.004","90","","906.3","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dimethylphenyl)urea","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","SU5043","Jayalakshmi, L.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S.","Crystal structure of 1-(2,4-dimethylphenyl)urea","Acta Crystallographica Section E","2015","71","1","o60","o61","10.1107/S2056989014027431","","","0.71073","MoKα","","0.1095","0.0995","","","0.3206","0.3486","","","","","","1.586","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240341","8.479","0.0003","9.6751","0.0003","15.4488","0.0005","90","","90","","90","","1267.34","0.07","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4-Carbamoyl-4-(1,3-dioxoisoindolin-2-yl)butanoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","IS5381","Otogawa, Kohei; Ishikawa, Kazuhiko; Shiro, Motoo; Asahi, Toru","Crystal structure of (<i>S</i>)-4-carbamoyl-4-(1,3-dioxoisoindolin-2-yl)butanoic acid","Acta Crystallographica Section E","2015","71","1","107","109","10.1107/S2056989014027121","","","1.54187","CuKα","","0.0279","0.027","","","0.0664","0.0674","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240342","7.362","0.0002","11.9369","0.0004","16.6755","0.0005","90","","100.191","0.003","90","","1442.31","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{[(Cyanoimino)(methylsulfanyl)methyl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C14 H15 N5 O S -","- C14 H15 N5 O S -","- C56 H60 N20 O4 S4 -","4","1","PK2542","Elgemeie, Galal H.; Abouzeid, Mamdouh; Jones, Peter G.","Crystal structure of 4-{[(cyanoimino)(methylsulfanyl)methyl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2015","71","1","104","106","10.1107/S2056989014027601","","","0.71073","MoKα","","0.0397","0.0333","","","0.08","0.0833","","","","","","1.075","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240343","10.126","0.009","15.096","0.014","15.355","0.013","90","","90","","90","","2347","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclic ester of phenylalanylalanylglycylphenylalanyl(2-aminopropane)","3,12-Dibenzyl-9,14-dimethyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11-tetrone","","- C26 H32 N4 O5 -","- C26 H32 N4 O5 -","- C104 H128 N16 O20 -","4","1","LH5744","Guéret, Stéphanie M.; Wagner, Trixie","A cyclic carbo-isosteric penta-depsipeptide: <i>cyclo</i>(Phe^1^‒<small>D</small>-Ala^2^‒Gly^3^‒Phe^4^‒APO^5^)","Acta Crystallographica Section E","2015","71","1","113","116","10.1107/S2056989014027406","","","1.54178","CuKα","","0.05","0.0467","","","0.1091","0.112","","","","","","1.085","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240344","7.687","0.0015","13.853","0.003","14.56","0.003","92.74","0.03","92.76","0.03","90.21","0.03","1546.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate","","- C12 H32 Cl4 Cr2 N12 S4 Zn -","- C12 H32 Cl4 Cr2 N12 S4 Zn -","- C24 H64 Cl8 Cr4 N24 S8 Zn2 -","2","1","SJ5433","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate from synchrotron data","Acta Crystallographica Section E","2015","71","1","100","103","10.1107/S2056989014027479","","","0.62998","synchrotron","","0.0182","0.0175","","","0.0485","0.0486","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240345","17.867","0.002","17.867","0.002","5.329","0.0006","90","","90","","120","","1473.3","0.3","103","2","103","2","","","","","","","","3","P 32","P 32","145","","(<i>Z</i>)-1-Phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol","","- C25 H24 O -","- C25 H24 O -","- C75 H72 O3 -","3","1","","Ganguly, Rakesh; Sally; Chan, Philip Wai Hong","Crystal structure of (<i>Z</i>)-1-phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol","Acta Crystallographica Section E","2015","71","1","o64","","10.1107/S205698901402742X","","","0.71073","MoKα","","0.1215","0.0578","","","0.1033","0.1287","","","","","","0.976","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240346","7.9337","0.0019","20.581","0.005","5.8405","0.0014","90","","90","","90","","953.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","γ-Ethyl-<i>L</i>-glutamate <i>N</i>-carboxy anhydride","(<i>S</i>)-4-[2-(Ethoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of γ-ethyl-<small>L</small>-glutamate <i>N</i>-carboxy anhydride","Acta Crystallographica Section E","2015","71","1","110","112","10.1107/S2056989014027170","","","0.71069","MoKα","","0.0364","0.0338","","","0.0801","0.0814","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240347","23.4036","0.0006","23.4036","0.0006","8.3373","0.0002","90","","90","","120","","3954.77","0.17","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Cyclohexylammonium thiocyanate","","- C7 H14 N2 S -","- C7 H14 N2 S -","- C126 H252 N36 S18 -","18","1","SJ5432","Bagabas, Abdulaziz A.; Alhoshan, Sultan B.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of cyclohexylammonium thiocyanate","Acta Crystallographica Section E","2015","71","1","o62","o63","10.1107/S2056989014027297","","","1.54178","CuKα","","0.04","0.0375","","","0.0978","0.1001","","","","","","1.056","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240348","17.3297","0.0015","7.3058","0.0007","12.4632","0.001","90","","111.034","0.003","90","","1472.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{(<i>E</i>)-[2-(Pyridin-4-ylcarbonyl)hydrazin-1-ylidene]methyl}phenyl acetate monohydrate","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","SJ5434","Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of 4-{(<i>E</i>)-[2-(pyridin-4-ylcarbonyl)hydrazin-1-ylidene]methyl}phenyl acetate monohydrate","Acta Crystallographica Section E","2015","71","2","o79","o80","10.1107/S2056989014027819","","","0.71073","MoKα","","0.0473","0.0369","","","0.1008","0.1126","","","","","","0.943","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240349","10.3629","0.0005","13.4156","0.0007","14.1777","0.0008","90","","92.864","0.002","90","","1968.59","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-Bromomethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone","","- C22 H16 Br N O3 S -","- C22 H16 Br N O3 S -","- C88 H64 Br4 N4 O12 S4 -","4","1","SU5047","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of (2-bromomethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone","Acta Crystallographica Section E","2015","71","2","o86","o87","10.1107/S2056989014028084","","","0.71073","MoKα","","0.1051","0.0454","","","0.1068","0.1456","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240350","14.465","0.003","18.742","0.004","4.323","0.0009","90","","90","","90","","1172","0.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,6-Bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine","","- C11 H11 N7 -","- C11 H11 N7 -","- C44 H44 N28 -","4","1","","Guino-o, Marites A.; Folstad, Matthew J.; Janzen, Daron E.","Crystal structures of 2,6-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide","Acta Crystallographica Section E","2015","71","2","128","132","10.1107/S2056989014027881","","","0.71075","MoKα","","0.062","0.0467","","","0.0951","0.1005","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240351","13.784","0.003","10.01","0.003","16.709","0.004","90","","102.648","0.007","90","","2249.5","1","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,1-[Pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide","","- C13 H17 I4 N7 -","- C13 H17 I4 N7 -","- C52 H68 I16 N28 -","4","0.5","","Guino-o, Marites A.; Folstad, Matthew J.; Janzen, Daron E.","Crystal structures of 2,6-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide","Acta Crystallographica Section E","2015","71","2","128","132","10.1107/S2056989014027881","","","0.71075","MoKα","","0.0446","0.0359","","","0.0766","0.0799","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240352","19.8896","0.0002","8.8743","0.0001","15.5361","0.0002","90","","104.087","0.001","90","","2659.75","0.05","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-Diethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dithione","","- C13 H16 N2 S2 -","- C13 H16 N2 S2 -","- C104 H128 N16 S16 -","8","1","TK5353","Lamkaddem, Abderrahman; Harcharras, Mohamed; Shaim, Abdelillah; Zouihri, Hafid; Echchahed, Bousselham; Bi, Wenhua","Crystal structure of 1,5-diethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dithione","Acta Crystallographica Section E","2015","71","2","o83","","10.1107/S205698901402790X","","","0.71073","MoKα","","0.0331","0.029","","","0.0793","0.0831","","","","","","1.05","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240353","22.422","0.0013","14.3498","0.0009","17.2811","0.0009","90","","116.847","0.002","90","","4960.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1',1''-Dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>- indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","","- C30 H27 Cl N4 O -","- C30 H27 Cl N4 O -","- C240 H216 Cl8 N32 O8 -","8","1","ZQ2230","Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 1',1''-dimethyl-4'-(4-cholorophenyl)dispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","Acta Crystallographica Section E","2015","71","2","o68","o69","10.1107/S2056989014027698","","","0.71073","MoKα","","0.063","0.0408","","","0.1006","0.1155","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240354","7.3069","0.0001","8.3267","0.0001","11.2461","0.0001","90.109","0.001","95.156","0.001","101.276","0.001","668.183","0.014","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C24 H28 N4 O4 S4 -","2","1","TK5352","Suresh, M.; Padusha, M. Syed Ali; Novina, J. Josephine; Vasuki, G.; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2015","71","2","o81","o82","10.1107/S2056989014027741","","","0.71073","MoKα","","0.0681","0.0598","","","0.1787","0.1889","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240355","13.662","0.005","14.928","0.006","15.356","0.01","95.459","0.011","106.226","0.011","116.524","0.008","2601","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-ethoxy-1-{4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]benzyl}-1<i>H</i>-1,3-benzodiazole-7-carboxylate ethyl acetate hemisolvate","","- C28 H26 N4 O6 -","- C28 H26 N4 O6 -","- C112 H104 N16 O24 -","4","2","HB7346","Li, Zhengyi; Liu, Rong; Zhu, Meilan; Chen, Liang; Sun, Xiaoqiang","Crystal structure of azilsartan methyl ester ethyl acetate hemisolvate","Acta Crystallographica Section E","2015","71","2","o84","o85","10.1107/S2056989014028023","","","0.71073","MoKα","","0.0923","0.064","","","0.1923","0.2214","","","","","","1.006","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240356","15.8019","0.0004","5.5675","0.0001","20.4756","0.0005","90","","102.093","0.002","90","","1761.41","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(8<i>E</i>)-12-Methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate","","- C21 H17 N5 O2 -","- C21 H17 N5 O2 -","- C84 H68 N20 O8 -","4","1","HB7340","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of <i>N</i>-[(8<i>E</i>)-12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2015","71","2","o75","o76","10.1107/S2056989014027285","","","1.54178","CuKα","","0.1067","0.0603","","","0.1422","0.1658","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240357","8.9989","0.0007","11.0036","0.0009","18.4209","0.0016","90","","90","","90","","1824","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","IS5387","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of [2-methyl-1-(phenylsulfonyl)-1<i>H</i>-indol-3-yl](phenyl)methanone","Acta Crystallographica Section E","2015","71","2","133","135","10.1107/S2056989014028059","","","0.71073","MoKα","","0.0749","0.036","","","0.0751","0.091","","","","","","1.023","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240358","20.062","0.002","9.4284","0.001","10.5882","0.0013","90","","118.734","0.005","90","","1756.2","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Tetraaquadichloridocobalt(II) sulfolane disolvate","","- C8 H24 Cl2 Co O8 S2 -","- C8 H24 Cl2 Co O8 S2 -","- C32 H96 Cl8 Co4 O32 S8 -","4","0.5","IM2458","Boudraa, Mhamed; Bouacida, Sofiane; Bouchareb, Hasna; Merazig, Hocine; Chtoun, El Hossain","Crystal structure of <i>cis</i>-tetraaquadichloridocobalt(II) sulfolane disolvate","Acta Crystallographica Section E","2015","71","2","m16","m17","10.1107/S2056989014027753","","","0.71073","MoKα","","0.073","0.0426","","","0.1189","0.1285","","","","","","1.009","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240359","5.75","0.0007","7.8504","0.0003","10.0884","0.0006","79.141","0.006","84.534","0.017","71.774","0.009","424.47","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Bis adeninium hexafluorosilicate(VI) hydrate","Bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate","","- C10 H16 F6 N10 O2 Si -","- C10 H16 F6 N10 O2 Si -","- C10 H16 F6 N10 O2 Si -","1","0.5","","Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Chtoun, El Hossain","Crystal structure of bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate","Acta Crystallographica Section E","2015","71","2","o72","o73","10.1107/S2056989014027005","","","0.71073","MoKα","","0.0338","0.0303","","","0.0794","0.0817","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240360","15.152","0.0018","22.1306","0.0017","6.731","0.0014","90","","101.8","0.02","90","","2209.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1-(2,3-Dimethyl-5-oxido-1-phenyl-1<i>H</i>-pyrazol-2-ium-4-yl-κ<i>O</i>)-2-[3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene-κ<i>O</i>]hydrazinido-κ<i>N</i>^1^}chloridocopper(II)","","- C21 H19 Cl Cu N6 O2 -","- C21 H19 Cl Cu N6 O2 -","- C84 H76 Cl4 Cu4 N24 O8 -","4","1","VN2088","Kovalchukova, Olga; Nguen, Van; Strashnova, Svetlana; Kuznetsov, Dmitry; Berikashvili, Teimuraz","Crystal structure of {1-(2,3-dimethyl-5-oxido-1-phenyl-1<i>H</i>-pyrazol-2-ium-4-yl-κ<i>O</i>)-2-[3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene-κ<i>O</i>]hydrazinido-κ<i>N</i>^1^}chloridocopper(II) from laboratory X-ray powder data","Acta Crystallographica Section E","2015","71","2","124","127","10.1107/S205698901402756X","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.317","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240361","33.9423","0.0007","11.388","0.0002","7.8049","0.0002","90","","99.439","0.001","90","","2976.02","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)ethanedithioamide","","- C32 H32 N4 S4 -","- C32 H32 N4 S4 -","- C128 H128 N16 S16 -","4","0.5","HB7339","Giannetto, Antonino; Lanza, Santo; Bruno, Giuseppe; Nicoló, Francesco; Amiri Rudbari, Hadi","Crystal structure of <i>N</i>,<i>N</i>'-bis(4-methylphenyl)dithiooxamide","Acta Crystallographica Section E","2015","71","2","o67","","10.1107/S2056989014027911","","","0.71073","MoKα","","0.0916","0.0553","","","","0.1516","","","","","","1.109","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240362","13.0731","0.0006","14.7989","0.0008","17.3092","0.0011","90","","90","","90","","3348.8","0.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","","- C26 H40 N10 Ni O4 S2 -","- C26 H40 N10 Ni O4 S2 -","- C104 H160 N40 Ni4 O16 S8 -","4","0.5","PK2540","Suckert, Stefan; Wriedt, Mario; Jess, Inke; Näther, Christian","Crystal structure of tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","Acta Crystallographica Section E","2015","71","2","m18","","10.1107/S2056989014026991","","","0.71073","MoKα","","0.0506","0.0361","","","0.0921","0.1001","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240363","17.6846","0.0004","4.8645","0.0001","19.2235","0.0004","90","","107.357","0.001","90","","1578.43","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(2-{(1<i>E</i>)-[(<i>E</i>)-2-(2-hydroxybenzylidene)hydrazin-1-ylidene]methyl}phenoxy)acetate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","XU5832","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Ahmed, Eman A.; Albayati, Mustafa R.","Crystal structure of ethyl 2-(2-{(1<i>E</i>)-[(<i>E</i>)-2-(2-hydroxybenzylidene)hydrazin-1-ylidene]methyl}phenoxy)acetate","Acta Crystallographica Section E","2015","71","2","o70","o71","10.1107/S2056989014027273","","","1.54178","CuKα","","0.0481","0.0379","","","0.1014","0.109","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240364","9.399","0.004","6.916","0.003","17.967","0.007","90","","97.37","0.03","90","","1158.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dibromacetyl-2H-chromenone","3-(2,2-Dibromoacetyl)-4-hydroxy-2<i>H</i>-chromen-2-one","","- C11 H6 Br2 O4 -","- C11 H6 Br2 O4 -","- C44 H24 Br8 O16 -","4","1","CV5480","Brahmia, Ameni; Ghouili, Afef; Ben Hassen, Rached","Crystal structure of 3-(2,2-dibromoacetyl)-4-hydroxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2015","71","2","121","123","10.1107/S2056989014027947","","","0.71073","MoKα","","0.2233","0.0566","","","0.0951","0.1331","","","","","","0.963","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240365","21.0726","0.0012","6.0393","0.0003","18.6087","0.001","90","","92.096","0.002","90","","2366.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Amoxapine acetate acetic acid monosolvate cyclohexane hemisolvate","4-(2-Chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)piperazin-1-ium acetate‒acetic acid‒cyclohexane (2/2/1)","","- C24 H30 Cl N3 O5 -","- C24 H30 Cl N3 O5 -","- C96 H120 Cl4 N12 O20 -","4","1","SU5039","Bhardwaj, Rajni M.; Raval, Vishal; Oswald, Iain D. H.; Florence, Alastair J.","Crystal structure of a mixed solvated form of amoxapine acetate","Acta Crystallographica Section E","2015","71","2","139","141","10.1107/S2056989014028096","","","0.71073","MoKα","","0.0377","0.0304","","","0.0764","0.0817","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240366","4.79244","0.00009","11.379","0.0002","14.5382","0.0003","100.167","0.0007","91.2117","0.0007","94.6754","0.0007","777.26","0.03","173","","173","","","","","","","","","4","P -1","-P 1","2","","<i>S</i>-Hexyl (<i>E</i>)-3-(4-methylbenzylidene)dithiocarbazate","","- C15 H22 N2 S2 -","- C15 H22 N2 S2 -","- C30 H44 N4 S4 -","2","1","","Howlader, M. B. H.; Begum, M. S.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of <i>S</i>-hexyl (<i>E</i>)-3-(4-methylbenzylidene)dithiocarbazate","Acta Crystallographica Section E","2015","71","2","o103","o104","10.1107/S2056989015000080","","","1.54187","CuKα","","","0.0463","","","","0.1285","","","","","","1.043","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240367","7.1921","0.0005","18.072","0.003","24.093","0.004","90","","90","","90","","3131.5","0.8","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","","- C18 H10 Cl2 N4 -","- C18 H10 Cl2 N4 -","- C144 H80 Cl16 N32 -","8","1","","Crundwell, Guy; Glagovich, Neil M.; King, Melissa E.","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","Acta Crystallographica Section E","2015","71","2","o107","","10.1107/S2056989015000055","","","0.71073","MoKα","","0.0608","0.034","","","0.0825","0.0858","","","","","","0.902","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240368","6.6198","0.0008","16.8318","0.0018","7.9506","0.0009","90","","97.141","0.011","90","","879.01","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-<i>N</i>'-{[(1<i>R</i>,3<i>R</i>)-3-Isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide","","- C17 H24 N2 O3 S -","- C17 H24 N2 O3 S -","- C34 H48 N4 O6 S2 -","2","1","","Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of (<i>E</i>)-<i>N</i>'-{[(1<i>R</i>,3<i>R</i>)-3-isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","2","o99","o100","10.1107/S2056989014026747","","","0.71073","MoKα","","0.0561","0.0437","","","0.085","0.0911","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240369","16.1742","0.0004","4.5667","0.0001","16.3259","0.0004","90","","106.548","0.001","90","","1155.93","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Aminophenyl)-3-phenylurea","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","SU5051","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of 1-(2-aminophenyl)-3-phenylurea","Acta Crystallographica Section E","2015","71","2","o88","o89","10.1107/S2056989014028175","","","1.54178","CuKα","","0.0553","0.0494","","","0.1288","0.136","","","","","","1.112","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240370","8.4631","0.0004","9.5968","0.0005","10.83","0.0006","76.604","0.002","89.155","0.002","83.195","0.002","849.56","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-{[2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate","","- C13 H16 Cl3 N3 O4 -","- C13 H16 Cl3 N3 O4 -","- C26 H32 Cl6 N6 O8 -","2","1","BQ2398","Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali","Crsytal structure of (<i>E</i>)-3-{[2-(2,4-dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate","Acta Crystallographica Section E","2015","71","2","o105","o106","10.1107/S2056989015000286","","","0.71073","MoKα","","0.0607","0.0425","","","0.1114","0.1236","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240371","13.2434","0.0007","9.6402","0.0005","17.7628","0.0013","90","","98.626","0.002","90","","2242.1","0.2","292","2","292","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","Bis(tetramethylammonium) decaaquadi-μ~4~oxido-tetra-μ~3~-oxido-hexadeca-μ~2~-oxido-hexaoxidodimanganesedecavanadate pentahydrate","","- C8 H54 Mn2 N2 O43 V10 -","- C8 H48 Mn2 N2 O43 V10 -","- C16 H96 Mn4 N4 O86 V20 -","2","0.25","HB7337","Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.","Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O","Acta Crystallographica Section E","2015","71","2","146","150","10.1107/S2056989014028230","","","0.71073","MoKα","","0.0222","0.02","","","0.0581","0.0597","","","","","","1.093","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"2240372","19.3147","0.0008","9.7733","0.0004","22.7952","0.001","90","","96.392","0.001","90","","4276.3","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{[tris(hydroxymethyl)methyl]ammonium} decaaquadi-μ~4~oxido-tetra-μ~3~-oxido-hexadeca-μ~2~-oxido-hexaoxidodimanganesedecavanadate dihydrate","","- C8 H48 Mn2 N2 O46 V10 -","- C8 H48 Mn2 N2 O46 V10 -","- C32 H192 Mn8 N8 O184 V40 -","4","0.5","HB7337","Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.","Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O","Acta Crystallographica Section E","2015","71","2","146","150","10.1107/S2056989014028230","","","0.71073","MoKα","","0.0625","0.0515","","","0.1103","0.1135","","","","","","1.118","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2240373","8.4695","0.0002","10.6759","0.0002","14.5208","0.0002","90","","98.093","0.002","90","","1299.89","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[2-(4-Methylphenyl)ethynyl]-2<i>H</i>-chromen-2-one","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Caracelli, Ignez; Maganhi, Stella H.; Stefani, Hélio A.; Gueogjian, Karina; Tiekink, Edward R. T.","Crystal structure of 3-[2-(4-methylphenyl)ethynyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2015","71","2","o90","o91","10.1107/S2056989014027790","","","1.54184","CuKα","","0.0415","0.0379","","","0.1024","0.1053","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240374","15.6836","0.0016","15.2523","0.0013","9.3283","0.0008","90","","105.016","0.002","90","","2155.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Isobutyl 4-(2-chlorophenyl)-5-cyano-6-{(<i>E</i>)-[(dimethylamino)methylidene]amino}-2-methyl-4<i>H</i>-pyran-3-carboxylate","","- C21 H24 Cl N3 O3 -","- C21 H24 Cl N3 O3 -","- C84 H96 Cl4 N12 O12 -","4","1","HB7341","Mohandas, T.; Kumar, C. Udhaya; Devi, S. Aruna; Prakasam, B. Arul; Sakthivel, P.; Vidhyasagar, T.","Crystal structure of isobutyl 4-(2-chlorophenyl)-5-cyano-6-{(<i>E</i>)-[(dimethylamino)methylidene]amino}-2-methyl-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section E","2015","71","2","o101","o102","10.1107/S2056989015000079","","","0.71073","MoKα","","0.1253","0.0605","","","0.1655","0.2173","","","","","","0.998","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240375","16.0084","0.0006","8.901","0.0003","20.806","0.0008","90","","90.288","0.001","90","","2964.63","0.19","115","","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(cyclohexylammonium) diphenyldioxalatostannate(IV)","","- C28 H38 N2 O8 Sn -","- C28 H38 N2 O8 Sn -","- C112 H152 N8 O32 Sn4 -","4","1","WM5103","Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of bis(cyclohexylammonium) diphenyldioxalatostannate(IV)","Acta Crystallographica Section E","2015","71","2","151","153","10.1107/S2056989014027716","","","0.71073","MoKα","","0.0251","0.0198","","","0.0451","0.0476","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240376","7.64","0.0003","16.17","0.0005","21.3406","0.0009","90","","90","","90","","2636.39","0.17","150","2","150","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","7,7-Dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","","Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.","Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid","Acta Crystallographica Section E","2015","71","2","o94","","10.1107/S2056989014028254","","","0.71073","MoKα","","0.0696","0.0469","","","0.0932","0.1027","","","","","","1.073","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240377","9.4626","0.0006","12.2687","0.0008","29.6074","0.0018","90","","90","","90","","3437.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cholesteryl 2,4-dimethoxy-3-methylcinnamate","Cholest-5-en-3β-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate","","- C39 H58 O4 -","- C39 H58 O4 -","- C156 H232 O16 -","4","1","SU5049","Bugenhagen, Bernhard; Munk, Ariane; Vill, Volkmar; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate","Acta Crystallographica Section E","2015","71","2","o92","o93","10.1107/S2056989014028278","","","0.71073","MOKα","","0.0634","0.0459","","","0.101","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240378","4.4953","0.0012","29.14","0.008","6.3889","0.0016","90","","97.86","0.009","90","","829","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,5-Dibenzyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4(5<i>H</i>)-thione","","- C19 H16 N4 S -","- C19 H16 N4 S -","- C38 H32 N8 S2 -","2","1","TK5354","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","The crystal structure of 1,5-dibenzyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4(5<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","2","o95","o96","10.1107/S205698901402828X","","","0.71073","MoKα","","0.0745","0.0407","","","0.0742","0.084","","","","","","0.974","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240379","6.033","0.004","7.393","0.005","17.527","0.011","90","","90.836","0.011","90","","781.7","0.9","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Prop-2-yn-1-yloxy)benzonitrile","","- C10 H7 N O -","- C10 H7 N O -","- C40 H28 N4 O4 -","4","1","HB7326","Kanagawa, Mayu; Okuno, Tsunehisa","Crystal structure of 4-(prop-2-yn-1-yloxy)benzonitrile","Acta Crystallographica Section E","2015","71","2","o97","o98","10.1107/S2056989014028035","","","0.71075","MoKα","","0.0676","0.0504","","","0.1106","0.1196","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240380","17.1572","0.0003","17.232","0.0003","17.2966","0.0003","90","","90","","90","","5113.79","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Di-<i>n</i>-butylbis(<i>η</i>^5^-pentamethylcyclopentadienyl)hafnium(IV)","","- C28 H48 Hf -","- C28 H48 Hf -","- C224 H384 Hf8 -","8","2","","Arndt, Perdita; Schubert, Kathleen; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe","Crystal structure of di-<i>n</i>-butylbis(<i>{η</i>}^5^-pentamethylcyclopentadienyl)hafnium(IV)","Acta Crystallographica Section E","2015","71","2","m19","m20","10.1107/S2056989015000092","","","0.71073","MoKα","","0.0208","0.0177","","","0.037","0.038","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240381","11.0165","0.0012","13.2508","0.0015","16.4285","0.0019","77.812","0.004","76.924","0.004","88.367","0.004","2282.9","0.4","192","2","192","2","","","","","","","","8","P -1","-P 1","2","","Bis(2,2'-bipyridine)[<i>N</i>'-(quinolin-2-ylmethylidene)pyridine-\ 2-carbohydrazide]ruthenium(II) bis(tetrafluoridoborate) dichloromethane trisolvate","","- C39 H34 B2 Cl6 F8 N8 O Ru -","- C39 H34 B2 Cl6 F8 N8 O Ru -","- C78 H68 B4 Cl12 F16 N16 O2 Ru2 -","2","1","WM5107","Mori, Asami; Suzuki, Takayoshi; Nakajima, Kiyohiko","Crystal structure of bis(2,2'-bipyridine)[<i>N</i>'-(quinolin-2-ylmethylidene)pyridine-2-carbohydrazide]ruthenium(II) bis(tetrafluoridoborate) dichloromethane trisolvate","Acta Crystallographica Section E","2015","71","2","142","145","10.1107/S2056989015000122","","","0.71075","MoKα","","0.0806","0.0686","","","0.1955","0.2076","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240382","8.223","0.0016","8.36","0.0017","10.039","0.002","92.87","0.03","96.12","0.03","116.6","0.03","609.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(perchlorato-κ<i>O</i>)copper(II)","","- C16 H38 Cl2 Cu N6 O8 -","- C16 H38 Cl2 Cu N6 O8 -","- C16 H38 Cl2 Cu N6 O8 -","1","0.5","SJ5435","Kim, Dae-Woong; Shin, Jong Won; Moon, Dohyun","Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(perchlorato-κ<i>O</i>)copper(II) from synchrotron data","Acta Crystallographica Section E","2015","71","2","136","138","10.1107/S2056989014028047","","","0.62998","synchrotron","","0.0476","0.0338","","","0.0861","0.091","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240383","4.6738","0.0003","10.5132","0.0005","16.4789","0.0008","86.522","0.003","84.85","0.003","79.057","0.003","791","0.07","173","","173","","","","","","","","","5","P -1","-P 1","2","","Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C30 H42 N4 Ni S4 -","- C30 H42 N4 Ni S4 -","- C30 H42 N4 Ni S4 -","1","0.5","","Howlader, M. B. H.; Begum, M. S.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","Acta Crystallographica Section E","2015","71","2","m26","m27","10.1107/S2056989015000328","","","1.54187","CuKα","","0.0898","0.0708","","","0.2006","0.2181","","","","","","1.085","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240384","7.7981","0.0003","8.241","0.0003","20.1555","0.0007","90","","93.141","0.002","90","","1293.33","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-\ κ^2^<i>N</i>^2^,<i>N</i>^3^]nickel(II)","","- C24 H16 N14 Ni S2 -","- C24 H16 N14 Ni S2 -","- C48 H32 N28 Ni2 S4 -","2","0.5","WM5108","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]nickel(II)","Acta Crystallographica Section E","2015","71","2","m24","m25","10.1107/S2056989015000201","","","0.71073","MoKα","","0.0431","0.0357","","","0.0942","0.0998","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240385","8.1784","0.0002","10.1741","0.0002","9.0896","0.0002","90","","114.142","0.001","90","","690.17","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimanganese(II) zinc bis[orthophosphate(V)] monohydrate","","- H2 Mn2 O9 P2 Zn -","- H2 Mn2 O9 P2 Zn -","- H8 Mn8 O36 P8 Zn4 -","4","1","WM5102","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of dimanganese(II) zinc bis[orthophosphate(V)] monohydrate","Acta Crystallographica Section E","2015","71","2","154","156","10.1107/S2056989015000341","","","0.71073","MoKα","","0.0198","0.0186","","","0.0516","0.0524","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240386","15.5115","0.0017","14.6022","0.0016","16.4765","0.0019","90","","101.835","0.001","90","","3652.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-{4-[Ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate","","- C18 H24 N3 O4.5 -","- C18 H24 N3 O4.5 -","- C144 H192 N24 O36 -","8","2","","Zhang, Hui; Peng, Mu-Hua; Wang, Xiao-Juan; Li, Xiao-Ying","Crystal structure of (<i>E</i>)-4-{4-[ethyl(2-hydroxyethyl)amino]styryl}-1-methylpyridinium nitrate hemihydrate","Acta Crystallographica Section E","2015","71","2","o111","o112","10.1107/S2056989015000067","","","0.71073","MoKα","","0.0817","0.057","","","0.1617","0.1767","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240387","4.5731","0.0004","14.326","0.0016","16.7472","0.0015","90","","95.611","0.005","90","","1091.92","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(1,2-Phenylene)bis(2-chloroacetamide)","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","1","GK2623","Tariq, Javaria; Murtaza, Shahzad; Tahir, Muhammad Nawaz; Zaheer, Muhammad","Crystal structure of <i>N</i>,<i>N</i>'-(1,2-phenylene)bis(2-chloroacetamide)","Acta Crystallographica Section E","2015","71","2","o108","","10.1107/S2056989015000304","","","0.71073","MoKα","","0.0504","0.0352","","","0.0761","0.0834","","","","","","1.031","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240388","32.7291","0.0016","4.7499","0.0004","11.6479","0.0008","90","","98.016","0.007","90","","1793.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloridobis(4-ethylaniline-κ<i>N</i>)zinc","","- C16 H22 Cl2 N2 Zn -","- C16 H22 Cl2 N2 Zn -","- C64 H88 Cl8 N8 Zn4 -","4","0.5","FF2133","Govindaraj, J.; Thirumurugan, S.; Reddy, D. Snehalatha; Anbalagan, K.; SubbiahPandi, A.","Crystal structure of dichloridobis(4-ethylaniline-κ<i>N</i>)zinc","Acta Crystallographica Section E","2015","71","2","m21","m22","10.1107/S2056989014027832","","","0.71073","MoKα","","0.0315","0.0284","","","0.0722","0.0771","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240389","9.4299","0.0006","10.5453","0.0007","12.6914","0.0008","90","","104.64","0.007","90","","1221.07","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~2~-5-hydroxynicotinato-κ^2^<i>N</i>:<i>O</i>^3^)zinc]","","- C12 H8 N2 O6 Zn -","- C12 H8 N2 O6 Zn -","- C48 H32 N8 O24 Zn4 -","4","1","WM5106","Wang, Wen-Bing; Xu, Shan-Shan; Chen, Hong-Ji","Crystal structure of poly[bis(μ~2~-5-hydroxynicotinato-κ^2^<i>N</i>:<i>O</i>^3^)zinc]","Acta Crystallographica Section E","2015","71","2","m23","","10.1107/S2056989015000249","","","0.71073","MoKα","","0.0469","0.0332","","","0.0671","0.0749","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240390","5.7708","0.0002","8.0867","0.0003","19.6929","0.0008","81.844","0.002","86.664","0.003","85.662","0.003","906.05","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(<i>E</i>)-1-[4-({4-[(4-Methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C44 H38 N2 O4 S2 -","2","2","","Hebbachi, Rabihe; Djedouani, Amel; Kadri, Soumia; Mousser, Hénia; Mousser, Abdelhamid","Crystal structure of (<i>E</i>)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one","Acta Crystallographica Section E","2015","71","2","o109","o110","10.1107/S205698901500033X","","","0.71073","MoKα","","0.0574","0.0394","","","0.0697","0.0764","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240391","10.1224","0.0005","10.7849","0.0005","11.0445","0.0005","76.156","0.013","73.96","0.013","89.059","0.014","1123.52","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl <i>N</i>-ferrocenylcarbamate","","- C12 H13 Fe N O2 -","- C12 H13 Fe N O2 -","- C48 H52 Fe4 N4 O8 -","4","2","","Rodríguez, Alan J.; Quirke, J. Martin. E.; Diouf, Aida O.","Crystal structure of methyl <i>N</i>-ferrocenylcarbamate","Acta Crystallographica Section E","2015","71","2","m30","","10.1107/S2056989015000043","","","0.71073","MoKα","","0.0409","0.0301","","","0.0663","0.0713","","","","","","0.988","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240392","8.5359","0.0005","9.0337","0.0005","15.7575","0.001","90","","90","","90","","1215.07","0.12","293","2","293","2","","","","","","","","5","P b c 21","P 2c -2b","29","","Bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)","","- C4 H8 Hg N6 S4 -","- C4 H8 Hg N6 S4 -","- C16 H32 Hg4 N24 S16 -","4","1","SU5058","Baskaran, A.; Rajarajan, K.; NizamMohideen, M.; Sagayaraj, P.","Crystal structure of bis(thiocyanato-κ<i>S</i>)bis(thiourea-κ<i>S</i>)mercury(II)","Acta Crystallographica Section E","2015","71","2","m28","m29","10.1107/S2056989015000584","","","0.71073","MoKα","","0.0353","0.0291","","","0.0704","0.0752","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240393","11.1646","0.0003","5.13891","0.00009","13.0301","0.0002","90","","112.35","0.0011","90","","691.43","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Crotonaldehyde semicarbazone","(<i>E</i>)-2-[(<i>E</i>)-But-2-en-1-ylidene]hydrazinecarboxamide","","- C5 H9 N3 O -","- C5 H9 N3 O -","- C20 H36 N12 O4 -","4","1","CV5481","Arfan, Atef; Rukiah, Mwaffak","Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data","Acta Crystallographica Section E","2015","71","2","168","172","10.1107/S2056989015000663","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.27","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2240394","5.8665","0.00017","8.0313","0.0002","9.0795","0.0004","104.141","0.0018","101.04","0.0019","106.351","0.0017","382.16","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","Crotonaldehyde thiosemicarbazone","(<i>E</i>)-2-[(<i>E</i>)-But-2-en-1-yldene]hydrazinecarbothioamide","","- C5 H9 N3 S -","- C5 H9 N3 S -","- C10 H18 N6 S2 -","2","1","CV5481","Arfan, Atef; Rukiah, Mwaffak","Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data","Acta Crystallographica Section E","2015","71","2","168","172","10.1107/S2056989015000663","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.29","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2240395","4.81267","0.00018","22.1919","0.0008","18.7012","0.0007","90","","97.392","0.003","90","","1980.73","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C23 H20 Br N O3 S -","- C23 H20 Br N O3 S -","- C92 H80 Br4 N4 O12 S4 -","4","1","SU5055","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Glidewell, Christopher; Byrappa, K.","Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section E","2015","71","2","176","179","10.1107/S2056989015000195","","","1.54184","CuKα","","0.0426","0.0396","","","0.1065","0.1082","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240396","9.9617","0.0004","12.1247","0.0006","18.91","0.0009","92.441","0.003","94.699","0.002","108.186","0.002","2157.01","0.17","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate","","- C54 H40 Cl Mn N8 -","- C54 H40 Cl Mn N8 -","- C108 H80 Cl2 Mn2 N16 -","2","1","","Harhouri, Wafa; Dhifaoui, Salma; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib","Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate","Acta Crystallographica Section E","2015","71","2","165","167","10.1107/S205698901500050X","","","0.71073","MoKα","","0.0576","0.0407","","","0.0974","0.107","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240397","9.6982","0.0014","7.4802","0.0012","10.8293","0.0017","90","","111.252","0.005","90","","732.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ethyl 5-methoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2(7),3,5-triene-13-carboxylate","Ethyl (2<i>S</i>)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2<i>H</i>- 2,6-methanobenzo[<i>g</i>][1,3,5]oxadiazocine-11-carboxylate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","SU5057","Dhandapani, A.; Manivarman, S.; Subashchandrabose, S.; Gunasekaran, B.","Crystal structure of ethyl (2<i>S</i>)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2<i>H</i>- 2,6-methanobenzo[<i>g</i>][1,3,5]oxadiazocine-11-carboxylate","Acta Crystallographica Section E","2015","71","2","o117","o118","10.1107/S2056989015000559","","","0.71073","MoKα","","0.1091","0.0713","","","0.1621","0.1749","","","","","","1.14","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240398","7.8858","0.0005","7.9226","0.0008","13.0182","0.0013","104.267","0.009","103.576","0.007","91.967","0.007","762.54","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Benserazide substitute","2,2'-Oxybis(4-methylquinoline)","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Tilborg, Anaelle","Crystal structure of 2,2'-oxybis(4-methylquinoline)","Acta Crystallographica Section E","2015","71","2","180","183","10.1107/S2056989015000717","","","0.71073","MoKα","","0.0619","0.0463","","","0.1181","0.1332","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240399","10.4588","0.0002","10.8553","0.0002","12.6287","0.0003","99.296","0.001","94.469","0.001","99.283","0.001","1388.44","0.05","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","Dipotassium heptahydrogen hexamolybdochromate(III) octahydrate","","- Cr H23 K2 Mo6 O32 -","- Cr H23 K2 Mo6 O32 -","- Cr2 H46 K4 Mo12 O64 -","2","1","BR2242","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of the Anderson-type heteropolyoxometalate; K~2~[H~7~Cr^III^Mo~6~O~24~]·8H~2~O: a redetermination revealing the position of the extra H atom in the polyanion","Acta Crystallographica Section E","2015","71","2","157","160","10.1107/S2056989015000390","","","0.71073","MoKα","","0.0244","0.0238","","","0.064","0.0644","","","","","","1.112","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2240400","9.5296","0.0007","10.1383","0.0007","11.1595","0.0007","90","","103.922","0.006","90","","1046.49","0.13","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Furan-2-yl)-1-phenylprop-2-en-1-one","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","RZ5145","Vázquez-Vuelvas, Oscar F.; Enríquez-Figueroa, René A.; García-Ortega, Héctor; Flores-Alamo, Marcos; Pineda-Contreras, Armando","Crystal structure of the chalcone (<i>E</i>)-3-(furan-2-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2015","71","2","161","164","10.1107/S205698901500047X","","","0.71073","MoKα","","0.0716","0.0449","","","0.0999","0.1145","","","","","","1.035","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240401","23.1302","0.0005","23.1302","0.0005","6.41","0.0002","90","","90","","90","","3429.39","0.15","150","","150","","","","","","","","","5","I -4","I -4","82","","3-(Adamantan-1-yl)-4-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H20 Cl N3 S -","- C18 H20 Cl N3 S -","- C144 H160 Cl8 N24 S8 -","8","1","SJ5439","Al-Wabli, Reem I.; El-Emam, Ali A.; Alroqi, Obaid S.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","2","o115","o116","10.1107/S2056989015000596","","","0.71073","MoKα","","0.0353","0.0304","","","0.0792","0.0818","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240402","24.04","0.005","12.923","0.003","8.717","0.0017","90","","98.94","0.03","90","","2675.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(5-methyltetrazolato-κ<i>N</i>^2^)nickel(II)","","- C20 H44 N14 Ni -","- C20 H44 N14 Ni -","- C80 H176 N56 Ni4 -","4","0.5","IS5389","Kim, Dae-Woong; Shin, Jong Won; Kim, Jin Hong; Moon, Dohyun","Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(5-methyltetrazolato-κ<i>N</i>)nickel(II) from synchrotron data","Acta Crystallographica Section E","2015","71","2","173","175","10.1107/S2056989015000651","","","0.62998","synchrotron","","0.0406","0.0321","","","0.0868","0.0899","","","","","","1.079","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240403","14.686","0.004","8.384","0.002","20.157","0.006","90","","97.785","0.005","90","","2459","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>){2-(1<i>H</i>-indol-3-yl)-<i>N</i>-[(quinolin-2-yl-κ<i>N</i>)methylidene]ethanamine-κ<i>N</i>}cadmium","","- C23 H24 Br2 Cd N4 O -","- C23 H24 Br2 Cd N4 O -","- C92 H96 Br8 Cd4 N16 O4 -","4","1","GG2145","Faizi, Md. Serajul Haque; Sharkina, Natalia O.; Davydenko, Yuliya M.","Crystal structure of dibromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>){2-(1<i>H</i>-indol-3-yl)-<i>N</i>-[(quinolin-2-yl-κ<i>N</i>)methylidene]ethanamine-κ<i>N</i>}cadmium","Acta Crystallographica Section E","2015","71","2","m31","m32","10.1107/S2056989015000778","","","0.71073","MoKα","","0.0578","0.0359","","","0.0815","0.0923","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240404","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid‒4-methylpyridine (1/1)","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","HB7348","Kumar, M. Krishna; Pandi, P.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of 4-aminobenzoic acid‒4-methylpyridine (1/1)","Acta Crystallographica Section E","2015","71","2","o125","o126","10.1107/S2056989015000791","","","0.71073","MoKα","","0.0739","0.038","","","0.0873","0.1079","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240405","11.7968","0.0002","14.829","0.0003","16.1406","0.0003","90","","90","","90","","2823.55","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<i>L</i>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II) pentahydrate","","- C25 H37 N3 Ni O9 -","- C25 H37 N3 Ni O9 -","- C100 H148 N12 Ni4 O36 -","4","1","FF2134","Faizi, Md. Serajul Haque; Sharkina, Natalia O.","Crystal structure of aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<small>L</small>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) pentahydrate","Acta Crystallographica Section E","2015","71","2","195","198","10.1107/S2056989015001085","","","0.71073","MoKα","","0.0229","0.0215","","","0.0564","0.0573","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240406","12.2264","0.0011","9.8581","0.0007","15.8735","0.0013","90","","112.129","0.01","90","","1772.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4<i>H</i>)-one","","- C9 H7 N O2 S -","- C9 H7 N O2 S -","- C72 H56 N8 O16 S8 -","8","2","","Sharma, Preetika; Subbulakshmi, K. N.; Narayana, B.; Byrappa, K.; Kant, Rajni","Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","2","o123","o124","10.1107/S2056989015000833","","","0.71073","MoKα","","0.0699","0.045","","","0.1095","0.1256","","","","","","1.035","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240407","8.5971","0.0009","12.908","0.0013","17.1114","0.0016","90","","100.501","0.005","90","","1867.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C84 H96 Cl4 N4 O4 -","4","1","","Shreevidhyaa Suressh, V.; Revathi, B. K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G.","Crystal structure of 2-chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone","Acta Crystallographica Section E","2015","71","2","o122","","10.1107/S2056989015000444","","","0.71073","MoKα","","0.0953","0.0637","","","0.1945","0.2256","","","","","","1.007","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240408","19.7086","0.0005","20.3099","0.0007","8.8443","0.0004","90","","90","","90","","3540.2","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Gossypol hemiacetal tetramethyl ether","5,5'-Diisopropyl-2,2',3,3'-tetramethoxy-7,7'-dimethyl-2<i>H</i>,2'<i>H</i>-8,8'-bi[naphtho[1,8-<i>bc</i>]furan]-4,4'-diol","","- C34 H38 O8 -","- C34 H38 O8 -","- C136 H152 O32 -","4","0.5","CV5482","Honkeldieva, Muhabbat; Talipov, Samat; Mardanov, Rustam; Ibragimov, Bakhtiyar","Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate","Acta Crystallographica Section E","2015","71","2","184","187","10.1107/S2056989015000171","","","1.54184","CuKα","","0.1004","0.056","","","0.1426","0.1618","","","","","","0.928","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240409","8.6826","0.0004","17.7282","0.0009","12.04","0.0006","90","","94.253","0.002","90","","1848.18","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile","","- C23 H21 N3 -","- C23 H21 N3 -","- C92 H84 N12 -","4","1","SU5061","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 2-benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","2","192","194","10.1107/S2056989015000572","","","0.71073","MoKα","","0.0943","0.0577","","","0.1612","0.1918","","","","","","1.076","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240410","4.81703","0.0001","14.8104","0.0003","29.4801","0.0006","90","","91.3715","0.0018","90","","2102.57","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Aminophenyl)-1,3-benzoxazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","2","HB7320","Pérez-Pérez, Imelda; Martínez-Otero, Diego; Rojas-Lima, Susana; López-Ruiz, Heraclio","Crystal structure of 2-(2-aminophenyl)-1,3-benzoxazole","Acta Crystallographica Section E","2015","71","2","188","191","10.1107/S2056989015000481","","","1.54184","CuKα","","0.0497","0.0425","","","0.1137","0.1205","","","","","","1.023","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240411","7.0305","0.001","7.0305","0.001","28.995","0.006","90","","90","","90","","1433.2","0.4","301","2","301","2","","","","","","","","5","I 41/a","-I 4ad","88","","Bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III)","","- C14 H10 Cr N3 O8 -","- C14 H10 Cr N3 O8 -","- C56 H40 Cr4 N12 O32 -","4","","SJ5438","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III) from synchrotron data","Acta Crystallographica Section E","2015","71","2","210","212","10.1107/S2056989015001152","","","0.62998","synchrotron","","0.0334","0.0279","","","0.08","0.081","","","","","","1.207","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240412","10.1891","0.0008","13.4961","0.0011","7.4491","0.0005","90","","90","","90","","1024.35","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[cadmium(II)-di-μ~2~-bromido-μ~2~-<i>L</i>-proline-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C5 H11 Br2 Cd N O3 -","- C5 H11 Br2 Cd N O3 -","- C20 H44 Br8 Cd4 N4 O12 -","4","1","CV5483","Sathiskumar, S.; Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.","Crystal structure of <i>catena</i>-poly[[cadmium(II)-di-μ~2~-bromido-μ~2~-<small>L</small>-proline-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2015","71","2","217","219","10.1107/S2056989015001176","","","0.71073","MoKα","","0.0603","0.0412","","","0.0828","0.0892","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240413","8.0173","0.0008","24.9","0.002","10.2186","0.0009","90","","96.738","0.002","90","","2025.9","0.3","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-<i>tert</i>-Butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C88 H76 F16 N4 O16 -","4","1","","Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher","Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","Acta Crystallographica Section E","2015","71","2","199","202","10.1107/S2056989015000936","","","0.71073","MoKα","","0.0383","0.0335","","","0.081","0.0839","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240414","19.299","0.0007","9.5345","0.0003","24.2188","0.0007","90","","90","","90","","4456.4","0.2","100","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C200 H176 F24 N8 O40 -","8","1","","Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher","Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","Acta Crystallographica Section E","2015","71","2","199","202","10.1107/S2056989015000936","","","0.71073","MoKα","","0.0431","0.035","","","0.0806","0.0858","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240415","7.7502","0.0006","7.9792","0.0005","12.6881","0.001","93.713","0.006","96.226","0.006","113.314","0.007","711.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Methohexital","5-Allyl-5-(hex-3-yn-2-yl)-1-methylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C28 H36 N4 O6 -","2","1","WM5105","Gelbrich, Thomas; Griesser, Ulrich J.","Crystal structure of the α-racemate of methohexital","Acta Crystallographica Section E","2015","71","2","206","209","10.1107/S205698901500105X","","","0.71073","MoKα","","0.0696","0.0489","","","0.1215","0.1353","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240416","14.971","0.0003","6.7026","0.0001","10.8673","0.0002","90","","99.486","0.001","90","","1075.56","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquadioxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')molybdenum(VI)","","- C9 H11 Mo N O5 -","- C9 H11 Mo N O5 -","- C36 H44 Mo4 N4 O20 -","4","1","","Parimala, Sowmianarayanan; Selvam, Parasuraman","Crystal structure of aquadioxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')molybdenum(VI)","Acta Crystallographica Section E","2015","71","2","m35","m36","10.1107/S2056989015001231","","","0.71073","MoKα","","0.0177","0.0162","","","0.0412","0.0422","","","","","","1.096","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240417","28.96","0.005","5.5627","0.0011","11.205","0.002","90","","95.442","0.004","90","","1796.9","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,9-Bis(2,6-difluorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C19 H16 F4 O4 -","- C19 H16 F4 O4 -","- C76 H64 F16 O16 -","4","0.5","SU5070","Chen, Liang; Li, Zhengyi; Jin, Linlin; Sun, Xiaoqiang; Wang, Zhiming","Crystal structure of <i>rac</i>-3,9-bis(2,6-difluorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2015","71","2","o127","o128","10.1107/S2056989015001206","","","0.71073","MoKα","","0.0554","0.0501","","","0.1423","0.1483","","","","","","1.005","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240418","10.6478","0.0004","7.199","0.0003","13.9283","0.0005","90","","104.9","0.002","90","","1031.75","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C20 H22 Br2 Cu N2 O2 -","- C20 H22 Br2 Cu N2 O2 -","- C40 H44 Br4 Cu2 N4 O4 -","2","0.5","WM5116","Ourari, Ali; Zoubeidi, Chahinaz; Bouacida, Sofiane; Derafa, Wassila; Merazig, Hocine","Crystal structure of bis(2-{[(3-bromopropyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2015","71","2","m33","m34","10.1107/S2056989015001309","","","0.71073","MoKα","","0.0447","0.0323","","","0.0826","0.0888","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240419","8.049","0.0016","8.3","0.0017","11.175","0.002","81.16","0.03","87.14","0.03","86.68","0.03","735.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-\ κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)\ bis(isonicotinato-κ<i>O</i>)copper(II)","","- C28 H46 Cu N8 O4 -","- C28 H46 Cu N8 O4 -","- C28 H46 Cu N8 O4 -","1","0.5","WM5115","Shin, Jong Won; Kim, Dae-Woong; Kim, Jin Hong; Moon, Dohyun","Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(isonicotinato-κ<i>O</i>)copper(II) from synchrotron data","Acta Crystallographica Section E","2015","71","2","203","205","10.1107/S2056989015001115","","","0.63","synchrotron","","0.0327","0.03","","","0.085","0.0862","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240420","7.1679","0.0011","10.9915","0.0017","11.2041","0.0016","75.491","0.004","83.148","0.005","86.424","0.005","848","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,8-Bis(thiophen-2-yl)-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^]tetradeca-2(7),3,5-trien-10-one","","- C21 H16 O2 S2 -","- C21 H16 O2 S2 -","- C42 H32 O4 S4 -","2","1","BG2544","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures and conformations of two Diels‒Alder adduct derivatives: 1,8-bis(thiophen-2-yl)-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^]tetradeca-2(7),3,5-trien-10-one and 1,8-diphenyl-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^] tetradeca-2,4,6-trien-10-one","Acta Crystallographica Section E","2015","71","2","213","216","10.1107/S2056989015001073","","","0.71073","MoKα","","0.0747","0.0638","","","0.1914","0.2061","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240421","7.861","0.0002","16.7327","0.0005","14.226","0.0004","90","","91.583","0.002","90","","1870.51","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Diphenyl-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^] tetradeca-2,4,6-trien-10-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","BG2544","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures and conformations of two Diels‒Alder adduct derivatives: 1,8-bis(thiophen-2-yl)-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^]tetradeca-2(7),3,5-trien-10-one and 1,8-diphenyl-14-oxatetracyclo[6.5.1.0^2,7^.0^9,13^] tetradeca-2,4,6-trien-10-one","Acta Crystallographica Section E","2015","71","2","213","216","10.1107/S2056989015001073","","","0.71073","MoKα","","0.0724","0.0479","","","0.1195","0.1415","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240422","31.413","0.01","10.073","0.003","23.677","0.007","90","","119.451","0.014","90","","6524","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaguanidinium nonahydrogen bis[α-hexamolybdoplatinate(IV)] heptahydrate","","- C7 H65 Mo12 N21 O55 Pt2 -","- C7 H65 Mo12 N21 O55 Pt2 -","- C28 H260 Mo48 N84 O220 Pt8 -","4","0.5","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of heptaguanidinium nonahydrogen bis[α-hexamolybdoplatinate(IV)] heptahydrate","Acta Crystallographica Section E","2015","71","3","268","271","10.1107/S2056989015002601","","","0.71073","MoKα","","0.0366","0.0278","","","0.0661","0.0725","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240423","11.4765","0.0003","17.5504","0.0004","11.6397","0.0002","90","","104.275","0.001","90","","2272.05","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1,3-Dithian-2-yl)-2<i>H</i>-1,3-benzodioxole","","- C11 H12 O2 S2 -","- C11 H12 O2 S2 -","- C88 H96 O16 S16 -","8","2","","Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A.; Gozhina, Olga; Tiekink, Edward R. T.","Crystal structure of 5-(1,3-dithian-2-yl)-2<i>H</i>-1,3-benzodioxole","Acta Crystallographica Section E","2015","71","3","o167","o168","10.1107/S2056989015002455","","","0.71073","MoKα","","0.038","0.0346","","","0.0883","0.0917","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240424","10.6909","0.0005","29.3658","0.0013","15.6179","0.0006","90","","130.283","0.002","90","","3740.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(4-Benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione","","- C18 H20 N4 O S2 -","- C18 H20 N4 O S2 -","- C144 H160 N32 O8 S16 -","8","2","SJ5443","Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Quah, Ching Kheng; Fun, Hoong-Kun","Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2015","71","3","o175","o176","10.1107/S2056989015002273","","","0.71073","MoKα","","0.067","0.0593","","","0.119","0.1221","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240425","18.7923","0.0006","18.8289","0.0005","11.6689","0.0003","90","","93.162","0.002","90","","4122.6","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Chloroacetyl)-3,3-dimethyl-2,6-di-<i>p</i>-tolylpiperidin-4-one","","- C23 H26 Cl N O2 -","- C23 H26 Cl N O2 -","- C184 H208 Cl8 N8 O16 -","8","1","","Jothivel, S.; Kotoky, Jibon; Kabilan, S.","Crystal structure of 1-(2-chloroacetyl)-3,3-dimethyl-2,6-di-<i>p</i>-tolylpiperidin-4-one","Acta Crystallographica Section E","2015","71","3","o173","o174","10.1107/S2056989015002613","","","0.71073","MoKα","","0.0569","0.0412","","","0.1103","0.124","","","","","","1.029","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240426","17.1008","0.0016","12.4737","0.0012","17.907","0.0017","90","","111.276","0.002","90","","3559.4","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4<i>Z</i>)-4-{[(2-Chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C168 H128 Cl8 N24 O16 -","8","1","","Zhang, Heng-Qiang; Yang, Xing; Wu, Qiong; Chen, Hong-Li","Crystal structure of (4<i>Z</i>)-4-{[(2-chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","Acta Crystallographica Section E","2015","71","3","o177","o178","10.1107/S2056989015002698","","","0.71073","MoKα","","0.0501","0.0363","","","0.0873","0.0945","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240427","9.241","0.0006","9.2595","0.0005","16.4106","0.001","87.77","0.001","88.819","0.001","72.823","0.001","1340.5","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[1-(Biphenyl-4-yl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]dichloridozinc","","- C30 H24 Cl2 N4 Zn -","- C30 H24 Cl2 N4 Zn -","- C60 H48 Cl4 N8 Zn2 -","2","1","WM5118","Liu, Xiao-Xiao; Wang, Yuan","Crystal structure and luminescent properties of [1-(biphenyl-4-yl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]dichloridozinc","Acta Crystallographica Section E","2015","71","3","272","274","10.1107/S2056989015002807","","","0.71073","MoKα","","0.055","0.0368","","","0.0816","0.0911","","","","","","0.998","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240428","9.5242","0.0002","11.5173","0.0002","16.3357","0.0003","90","","104.821","0.001","90","","1732.3","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Butyl-2,3-dimethylimidazolium dicarba-7,8-<i>nido</i>-undecaborate","","- C11 H29 B9 N2 -","- C11 H29 B9 N2 -","- C44 H116 B36 N8 -","4","1","HB7327","Klemes, M. J.; Soderstrom, L.; Hunting, J. L.; Larsen, A. S.","Crystal structure of 1-butyl-2,3-dimethylimidazolium dicarba-7,8-<i>nido</i>-undecaborate","Acta Crystallographica Section E","2015","71","3","o183","","10.1107/S2056989015002765","","","0.71073","MoKα","","0.0473","0.043","","","0.1151","0.12","","","","","","1.0503","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240429","10.8547","0.0002","13.2655","0.0003","8.0891","0.0002","90","","109.087","0.001","90","","1100.74","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Nitrophenyl)-1,3-dithiane","","- C10 H11 N O2 S2 -","- C10 H11 N O2 S2 -","- C40 H44 N4 O8 S8 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Stefani, Hélio A.; Gozhina, Olga; Tiekink, Edward R. T.","Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2015","71","3","o181","o182","10.1107/S2056989015002844","","","0.71073","MoKα","","0.0349","0.0314","","","0.0851","0.0887","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240430","8.9821","0.0004","11.3871","0.0005","11.055","0.0005","90","","99.604","0.003","90","","1114.86","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Bromophenyl)-1,3-dithiane","","- C10 H11 Br S2 -","- C10 H11 Br S2 -","- C40 H44 Br4 S8 -","4","1","","Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A.; Gozhina, Olga; Tiekink, Edward R. T.","Crystal structure of 2-(3-bromophenyl)-1,3-dithiane","Acta Crystallographica Section E","2015","71","3","o179","o180","10.1107/S2056989015002832","","","0.71073","MoKα","","0.0358","0.0305","","","0.0785","0.0815","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240431","8.5531","0.0006","8.8379","0.0007","9.6492","0.0009","115.166","0.009","92.105","0.007","113.288","0.008","587.68","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,2'-[((1<i>E</i>,1'<i>E</i>)-{[(1<i>R</i>,4<i>R</i>)-cyclohexane-1,4-diyl]bis(azanylylidene)}bis(methanylylidene))bis(1<i>H</i>-pyrrole-2,1-diyl)]diacetate","","- C24 H32 N4 O4 -","- C24 H32 N4 O4 -","- C24 H32 N4 O4 -","1","0.5","","Alshawi, Jasim; Yousif, Muoayed; Zangana, Karzan H.; Vitorica Yrezabal, Inigo J.; Winpenny, Richard; Al-Jeboori, Mohamad J.","Crystal structure of diethyl 2,2'-[((1<i>E</i>,1'<i>E</i>)-{[(1<i>R</i>,4<i>R</i>)-cyclohexane-1,4-diyl]bis(azanylylidene)}bis(methanylylidene))bis(1<i>H</i>-pyrrole-2,1-diyl)]diacetate","Acta Crystallographica Section E","2015","71","3","o165","o166","10.1107/S2056989015002674","","","0.71073","MoKα","","0.0944","0.0553","","","0.1009","0.1239","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240432","5.7908","0.0003","7.6004","0.0004","15.9073","0.0007","94.716","0.002","96.52","0.003","92.732","0.002","692.09","0.06","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","4-Bromoanilinium 4-methylbenzenesulfonate","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C26 H28 Br2 N2 O6 S2 -","2","1","SU5079","Sivakumar, P. K.; Kumar, M. Krishna; Kumar, R. Mohan; Chakkaravarthi, G.; Kanagadurai, R.","Crystal structure of 4-bromoanilinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2015","71","3","o163","o164","10.1107/S2056989015002686","","","0.71073","MoKα","","0.0419","0.0326","","","0.0796","0.0828","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240433","14.4338","0.0005","10.4786","0.0003","12.4045","0.0004","90","","101.593","0.003","90","","1837.86","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-((Bis(2-hydroxyethyl)amino)methyl)-2-hydroxy-5-methylsalicylaldoxime","2-Hydroxy-<i>N</i>-(2-hydroxyethyl)-<i>N</i>-{2-hydroxy-3-[(<i>E</i>)-<i>N</i>-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate","","- C16 H28 N2 O7 -","- C16 H28 N2 O7 -","- C64 H112 N8 O28 -","4","1","HB7350","Nichol, Gary S.; Frost, Jamie M.; Sanz, Sergio; Brechin, Euan K.","Crystal structure of 2-hydroxy-<i>N</i>-(2-hydroxyethyl)-<i>N</i>-{2-hydroxy-3-[(<i>E</i>)-<i>N</i>-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate","Acta Crystallographica Section E","2015","71","3","o186","o187","10.1107/S2056989015002418","","","0.71073","MoKα","","0.0722","0.0537","","","0.1208","0.1293","","","","","","1.088","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240434","10.552","0.0002","11.6936","0.0003","11.1938","0.0002","90","","101.576","0.0013","90","","1353.12","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium 2-amino-6-oxo-6,7-dihydro-1<i>H</i>-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","PK2539","Gur, Dvir; Shimon, Linda J. W.","Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1<i>H</i>-purine-1,7-diide heptahydrate","Acta Crystallographica Section E","2015","71","3","281","283","10.1107/S2056989015003163","","","0.71073","MoKα","","0.0679","0.0485","","","0.1298","0.1465","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240435","7.7256","0.0004","19.003","0.0009","29.8162","0.0015","90","","90","","90","","4377.3","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-<i>N</i>-methoxy-<i>N</i>-methylpropanamide","","- C24 H39 N O3 -","- C24 H39 N O3 -","- C192 H312 N8 O24 -","8","2","HB7343","Viktorsson, Elvar Ørn; Åstrand, Ove Alexander Høgmoen; Haseeb, Rasha Sabah; Görbitz, Carl Henrik; Rongved, Pål","Crystal structure of (<i>S</i>)-2-[(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-<i>N</i>-methoxy-<i>N</i>-methylpropanamide (Fernholz Weinreb amide)","Acta Crystallographica Section E","2015","71","3","275","277","10.1107/S2056989015001747","","","0.71073","MoKα","","0.0846","0.0476","","","0.0874","0.0977","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240436","8.9597","0.0004","12.5586","0.0006","20.0796","0.0009","98.228","0.004","95.86","0.004","97.183","0.004","2201.95","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>^1^](phenyl)methyl} pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)iridium(III) tetraphenylborate","","- C52 H49 B Cl2 Ir N3 -","- C52 H49 B Cl2 Ir N3 -","- C104 H98 B2 Cl4 Ir2 N6 -","2","1","RZ5149","Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno","Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>^1^](phenyl)methyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)iridium(III) tetraphenylborate","Acta Crystallographica Section E","2015","71","3","m65","m66","10.1107/S2056989015003023","","","0.71073","MoKα","","0.0319","0.0258","","","0.0572","0.0583","","","","","","0.95","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240437","12.8472","0.0004","13.6212","0.0004","7.1972","0.0003","90","","90","","90","","1259.47","0.08","290","1","290","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Niobium vanadium phosphorus decasulfide","","- Nb1.18 P S10 V0.82 -","- Nb1.1745 P S10 V0.8255 -","- Nb4.698 P4 S40 V3.302 -","4","1","","Sun, Joobin; Heo, Jiyun; Yun, Hoseop","Crystal structure of the mixed-metal thiophosphate Nb~1.18~V~0.82~PS~10~","Acta Crystallographica Section E","2015","71","3","278","280","10.1107/S2056989015003072","","","0.71073","MoKα","","0.0725","0.0449","","","0.0864","0.1034","","","","","","1.127","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240438","6.9596","0.0006","7.0326","0.0007","17.909","0.006","87.654","0.006","87.442","0.006","79.299","0.007","860","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Silver(I) trimanganese(II) aluminium pentakis[tetraoxidomolybdate(VI)]","","- Ag Al0.74 Mn3.26 Mo5 O20 -","- Ag0.986 Al0.739 Mn3.261 Mo5 O20 -","- Ag1.972 Al1.478 Mn6.522 Mo10 O40 -","2","1","RU2061","Bouzidi, Chahira; Frigui, Wafa; Zid, Mohamed Faouzi","Synthèse et structure cristalline d'un matériau noir AgMn^II^~3~(Mn^III^~0,26~Al~0,74~)(MoO~4~)~5~","Acta Crystallographica Section E","2015","71","3","299","304","10.1107/S2056989015003345","","","0.71073","MoKα","","0.0274","0.0245","","","0.0624","0.0637","","","","","","1.232","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240439","4.8158","0.0001","4.8158","0.0001","16.0488","0.0006","90","","90","","120","","322.337","0.015","295","2","295","2","","","","","","","","5","R -3","-R 3","148","","Calcium magnesium cobalt dicarbonate","","- C2 Ca Co0.17 Mg0.83 O6 -","- C2 Ca Co0.172 Mg0.828 O6 -","- C6 Ca3 Co0.516 Mg2.484 O18 -","3","","","Perchiazzi, Natale","Crystal structure study of a cobaltoan dolomite from Kolwezi, Democratic Republic of Congo","Acta Crystallographica Section E","2015","71","3","i3","","10.1107/S2056989015003126","","","0.71073","MoKα","","0.0188","0.0188","","","0.059","0.059","","","","","","0.962","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240440","8.271","0.0017","19.535","0.004","16.934","0.003","90","","100.55","0.03","90","","2689.8","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate","","- C24 H20 Cl5 Cr N4 O2 Zn -","- C24 H20 Cl5 Cr N4 O2 Zn -","- C96 H80 Cl20 Cr4 N16 O8 Zn4 -","4","1","WM5123","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>cis</i>-aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate from synchrotron data","Acta Crystallographica Section E","2015","71","3","288","290","10.1107/S2056989015003266","","","0.62998","synchrotron","","0.0426","0.0398","","","0.1057","0.1074","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240441","11.4678","0.0009","11.4919","0.0009","13.3404","0.0013","71.692","0.008","75.572","0.008","74.303","0.007","1580.7","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","2-Methylpiperazine-1,4-diium bis(hydrogen maleate)","2-Methylpiperazine-1,4-diium bis(<i>cis</i>-3-carboxyprop-2-enoate)","","- C13 H20 N2 O8 -","- C13 H20 N2 O8 -","- C52 H80 N8 O32 -","4","2","","Wecharine, Intissar; Valkonen, Arto; Rzaigui, Mohamed; Smirani Sta, Wajda","Crystal structure of 2-methylpiperazine-1,4-diium bis(hydrogen maleate)","Acta Crystallographica Section E","2015","71","3","o193","o194","10.1107/S2056989015003102","","","0.71073","MoKα","","0.0719","0.0494","","","0.1153","0.1329","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240442","8.2858","0.0002","12.5422","0.0004","14.352","0.0005","114.379","0.002","95.751","0.003","94.2","0.002","1340.81","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-Ethyl-2-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]hydrazinecarbothioamide hemihydrate","","- C13 H14 N3 O2.5 S -","- C13 H14 N3 O2.5 S -","- C52 H56 N12 O10 S4 -","4","2","SU5078","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structures of two hydrazinecarbothioamide derivatives: (<i>E</i>)-<i>N</i>-ethyl-2-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]hydrazinecarbothioamide hemihydrate and (<i>E</i>)-2-[(4-chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2015","71","3","305","308","10.1107/S2056989015003369","","","0.71073","MoKα","","0.1185","0.0477","","","0.1087","0.1367","","","","","","0.936","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240443","10.3176","0.0003","5.7589","0.0002","27.0364","0.0007","90","","96.564","0.002","90","","1595.92","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(4-Chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-phenylhydrazinecarbothioamide","","- C17 H14 Cl N3 O S -","- C17 H14 Cl N3 O S -","- C68 H56 Cl4 N12 O4 S4 -","4","1","SU5078","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structures of two hydrazinecarbothioamide derivatives: (<i>E</i>)-<i>N</i>-ethyl-2-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]hydrazinecarbothioamide hemihydrate and (<i>E</i>)-2-[(4-chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2015","71","3","305","308","10.1107/S2056989015003369","","","0.71073","MoKα","","0.1099","0.047","","","0.0995","0.1238","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240444","9.2592","0.001","10.5339","0.001","12.3995","0.0012","106.94","0.011","92.788","0.009","112.439","0.01","1051.7","0.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H22 Ag B F4 N6 O7 -","- C13 H22 Ag B F4 N6 O7 -","- C26 H44 Ag2 B2 F8 N12 O14 -","2","1","","Palmer, Joshua H.; Upmacis, Rita K.","Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^]silver(I) tetrafluoridoborate methanol monosolvate","Acta Crystallographica Section E","2015","71","3","284","287","10.1107/S2056989015002819","","","0.71073","MoKα","","0.0298","0.0282","","","0.066","0.0668","","","","","","1.117","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2240445","11.3893","0.0005","15.1181","0.0007","16.7136","0.0007","90","","100.766","0.002","90","","2827.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate","","- C35 H27 N3 O3 S -","- C35 H27 N3 O3 S -","- C140 H108 N12 O12 S4 -","4","1","HB7364","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structure of ethyl (2<i>S</i>,2'<i>R</i>)-1'-benzyl-3-oxo-3<i>H</i>-dispiro[1-benzothiophene-2,3'-pyrrolidine-2',11''-indeno[1,2-<i>b</i>]quinoxaline]-4'-carboxylate","Acta Crystallographica Section E","2015","71","3","o195","o196","10.1107/S2056989015003187","","","0.71073","MoKα","","0.0739","0.0466","","","0.1092","0.1277","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240446","12.6931","0.0008","10.9284","0.0006","18.8915","0.0012","90","","90","","90","","2620.5","0.3","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","","- C16 H13 N5 -","- C16 H13 N5 -","- C128 H104 N40 -","8","1","LH5746","Price, Ivy K.; Rougeot, Celine; Hein, Jason E.","Crystal structure of 5,7-diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2015","71","3","o192","","10.1107/S2056989015002984","","","1.54178","CuKα","","0.041","0.0349","","","0.0883","0.0927","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240447","7.1059","0.0004","13.6075","0.0006","14.2631","0.0007","90","","100.816","0.005","90","","1354.65","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyridine-1,1'-diium tetrachloridozincate","","- C10 H10 Cl4 N2 Zn -","- C10 H10 Cl4 N2 Zn -","- C40 H40 Cl16 N8 Zn4 -","4","1","WM5125","Govindaraj, Jeyaraman; Thirumurugan, Subramani; Clara, Antoni Samy; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalathevar","Crystal structure of 2,2'-bipyridine-1,1'-diium tetrachloridozincate","Acta Crystallographica Section E","2015","71","3","m67","m68","10.1107/S2056989015003175","","","0.71073","MoKα","","0.0311","0.0247","","","0.0536","0.0559","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240448","16.3925","0.0019","17.225","0.002","18.678","0.002","90","","91.6077","0.0019","90","","5271.9","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4301","(18-Crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I)","","- C26 H40 Co K O6 -","- C26 H40 Co K O6 -","- C208 H320 Co8 K8 O48 -","8","2","BH2504","Brennessel, William W.; Ellis, John E.","Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I)","Acta Crystallographica Section E","2015","71","3","291","295","10.1107/S2056989015003151","","","0.71073","MoKα","","0.0723","0.0425","","","0.0744","0.0837","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240449","7.4817","0.0005","7.5928","0.0005","15.7908","0.001","78.673","0.003","78.404","0.003","65.37","0.003","792.36","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-{[(Naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","SJ5445","Govindhan, Muniyappan; Subramanian, Kathavarayan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure of 2-{[(naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2015","71","3","o190","o191","10.1107/S2056989015003205","","","0.71073","MoKα","","0.0679","0.0468","","","0.1241","0.1397","","","","","","1.035","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240450","8.6471","0.0003","18.0807","0.0005","12.0395","0.0004","90","","94.719","0.002","90","","1875.94","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-4-(4-bromophenyl)-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile","","- C22 H18 Br N3 -","- C22 H18 Br N3 -","- C88 H72 Br4 N12 -","4","1","HB7365","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 2-benzylamino-4-(4-bromophenyl)-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","3","296","298","10.1107/S2056989015002820","","","0.71073","MoKα","","0.0644","0.0364","","","0.0833","0.0993","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240451","11.6814","0.0007","5.6106","0.0004","16.5299","0.0011","90","","108.713","0.002","90","","1026.09","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (<i>E</i>)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","SU5085","Savithri, M. P.; Yuvaraj, P. S.; Reddy, B. S. R.; Raja, R.; SubbiahPandi, A.","Crystal structure of methyl (<i>E</i>)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate","Acta Crystallographica Section E","2015","71","3","o188","o189","10.1107/S2056989015003217","","","0.71073","MoKα","","0.0424","0.0332","","","0.085","0.0925","","","","","","1.054","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240452","20.1594","0.0011","17.8088","0.0012","5.612","0.0003","90","","90","","90","","2014.8","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Chloro-2-({3-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]imidazolidin-1-yl}methyl)-3,5-dimethylphenol","4,4'-Dichloro-3,3',5,5'-tetramethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C21 H26 Cl2 N2 O2 -","- C21 H26 Cl2 N2 O2 -","- C84 H104 Cl8 N8 O8 -","4","1","","Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael","Crystal structure of the di-Mannich base 4,4'-dichloro-3,3',5,5'-tetramethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2015","71","3","312","314","10.1107/S2056989015002212","","","0.71073","MoKα","","0.0407","0.0348","","","0.0793","0.0819","","","","","","0.996","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240453","5.6565","0.0003","10.3682","0.0005","15.3358","0.0007","81.604","0.004","80.006","0.004","85.34","0.004","874.83","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-{2-[(2-Methoxyphenyl)selanyl]phenyl}-4-phenyl-1<i>H</i>-1,2,3-triazole","","- C21 H17 N3 O Se -","- C21 H17 N3 O Se -","- C42 H34 N6 O2 Se2 -","2","1","","Camargo, Leandro R. S.; Zukerman-Schpector, Julio; Deobald, Anna M.; Braga, Antonio L.; Tiekink, Edward R. T.","Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2015","71","3","o202","o203","10.1107/S2056989015003230","","","0.71073","MoKα","","0.0351","0.0278","","","0.0612","0.0639","","","","","","1.009","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240454","21.3924","0.0004","6.9332","0.0001","12.9204","0.0002","90","","92.231","0.002","90","","1914.87","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-1-{2-[(2,4,6-trimethylphenyl)selanyl]phenyl}-1<i>H</i>-1,2,3-triazole","","- C23 H21 N3 Se -","- C23 H21 N3 Se -","- C92 H84 N12 Se4 -","4","1","","Camargo, Leandro R. S.; Zukerman-Schpector, Julio; Deobald, Anna M.; Braga, Antonio L.; Tiekink, Edward R. T.","Crystal structure of 4-phenyl-1-{2-[(2,4,6-trimethylphenyl)selanyl]phenyl}-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2015","71","3","o204","o205","10.1107/S2056989015003229","","","0.71073","MoKα","","0.037","0.0296","","","0.0599","0.0633","","","","","","1.031","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240455","4.55596","0.00008","12.4224","0.0003","14.9619","0.0003","75.73","0.0009","84.7599","0.001","84.6141","0.0009","814.99","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","<i>S</i>-Hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","","- C15 H22 N2 O S2 -","- C15 H22 N2 O S2 -","- C30 H44 N4 O2 S4 -","2","1","","Begum, M. S.; Howlader, M. B. H.; Miyatake, R.; Zangrando, E.; Sheikh, M. C.","Crystal structure of <i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2015","71","3","o199","","10.1107/S2056989015003199","","","1.54187","CuKα","","","0.0509","","","","0.1313","","","","","","1.075","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240456","22.1614","0.0013","11.5738","0.0005","16.453","0.0007","90","","108.771","0.001","90","","3995.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(But-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''} dichloridocopper(II) diethyl ether hemisolvate","","- C18 H24 Cl2 Cu N3 O0.5 -","- C18 H24 Cl2 Cu N3 O0.5 -","- C144 H192 Cl16 Cu8 N24 O4 -","8","1","","Bussey, Katherine A.; Connell, Jennifer R.; McGlone, Annie R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.","Crystal structure of {(but-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridocopper(II) diethyl ether hemisolvate","Acta Crystallographica Section E","2015","71","3","309","311","10.1107/S2056989015003448","","","0.71073","MoKα","","0.0392","0.0276","","","0.0667","0.0721","","","","","","1.026","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240457","10.1447","0.0003","10.1919","0.0002","10.8724","0.0002","117.882","0.001","101.371","0.001","105.498","0.001","886.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","ZS2327","Novina, J. J.; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali","Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2015","71","3","o206","o207","10.1107/S2056989015003576","","","0.71073","MoKα","","0.0596","0.0497","","","0.1439","0.1542","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240458","10.748","0.0004","13.7497","0.0006","13.8849","0.0005","112.432","0.004","92.889","0.003","104.059","0.003","1816.28","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-{1-[2-(Phenylselanyl)phenyl]-1<i>H</i>-1,2,3-triazol-4-yl}cyclohexan-1-ol","","- C20 H21 N3 O Se -","- C20 H21 N3 O Se -","- C80 H84 N12 O4 Se4 -","4","2","","Camargo, Leandro R. S.; Zukerman-Schpector, Julio; Deobald, Anna M.; Braga, Antonio L.; Tiekink, Edward R. T.","Crystal structure of 1-{1-[2-(phenylselanyl)phenyl]-1<i>H</i>-1,2,3-triazol-4-yl}cyclohexan-1-ol","Acta Crystallographica Section E","2015","71","3","o200","o201","10.1107/S2056989015003242","","","1.54184","CuKα","","0.0405","0.039","","","0.1046","0.1065","","","","","","1.076","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240459","11.557","0.005","21.663","0.005","11.579","0.005","90","","105.974","0.005","90","","2787","1.8","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","","- C29 H25 Cl3 Fe Ir N5 -","- C29 H25 Cl3 Fe Ir N5 -","- C116 H100 Cl12 Fe4 Ir4 N20 -","4","1","WM5126","Davaasuren, Bambar; Padhy, Harihara; Rothenberger, Alexander","Crystal structure of trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","Acta Crystallographica Section E","2015","71","3","m69","m70","10.1107/S2056989015003473","","","0.71073","MoKα","","0.0666","0.0359","","","0.0661","0.0758","","","","","","1.019","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240460","14.8313","0.001","14.8313","","9.3966","0.0008","90","","90","","90","","2066.9","0.2","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","Diaqua[5,10,15,20-tetrakis(4‒bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium","","- C44 H28 Br4 Mg N4 O2 -","- C44 H28 Br4 Mg N4 O2 -","- C88 H56 Br8 Mg2 N8 O4 -","2","0.125","","Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib","Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium","Acta Crystallographica Section E","2015","71","3","m73","m74","10.1107/S2056989015003722","","","0.71073","MoKα","","0.0504","0.0309","","","0.0676","0.0732","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240461","8.1171","0.0004","7.6028","0.0004","18.1345","0.001","90","","99.2668","0.0006","90","","1104.52","0.1","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Bromo-2-(phenylselenyl)benzene","","- C12 H9 Br Se -","- C12 H9 Br Se -","- C48 H36 Br4 Se4 -","4","1","LH5753","Charette, Bronte J.; Ritch, Jamie S.","Crystal structure of 1-bromo-2-(phenylselenyl)benzene","Acta Crystallographica Section E","2015","71","3","327","329","10.1107/S205698901500345X","","","0.71073","MoKα","","0.019","0.0166","","","0.041","0.0417","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240462","8.4901","0.0004","14.2281","0.0007","15.3864","0.0007","90","","98.659","0.004","90","","1837.46","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzamido-<i>N</i>-(2,2-diethoxyethyl)benzamide","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","LH5750","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bolte, Michael","Crystal structure of 2-benzamido-<i>N</i>-(2,2-diethoxyethyl)benzamide","Acta Crystallographica Section E","2015","71","3","o214","o215","10.1107/S2056989015003370","","","0.71073","MoKα","","0.0463","0.0409","","","0.1067","0.11","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240463","22.2429","0.0005","5.5039","0.0001","32.834","0.0008","90","","102.914","0.001","90","","3917.96","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C176 H152 N8 O32 S8 -","8","1","","Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate","Acta Crystallographica Section E","2015","71","3","o212","o213","10.1107/S2056989015003898","","","0.71073","MoKα","","0.1003","0.0666","","","0.2047","0.2419","","","","","","1.036","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240464","7.694","0.004","13.399","0.007","9.739","0.005","90","","105.169","0.009","90","","969","0.9","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1<i>H</i>-purin-9-ido)magnesium(II)","","- C14 H22 Mg N8 O8 -","- C14 H22 Mg N8 O8 -","- C28 H44 Mg2 N16 O16 -","2","0.5","","Shi, Yabin; Lou, Benyong","Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1<i>H</i>-purin-9-ido)magnesium","Acta Crystallographica Section E","2015","71","3","321","323","10.1107/S2056989015003758","","","0.71073","MoKα","","0.0639","0.049","","","0.1137","0.1227","","","","","","1.094","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240465","12.8896","0.0005","13.6334","0.0005","16.5466","0.0006","86.73","0.003","75.389","0.003","77.581","0.003","2747.84","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate]","","- C58 H30 B2 F30 O Zr -","- C58 H30 B2 F30 O Zr -","- C116 H60 B4 F60 O2 Zr2 -","2","1","","Burlakov, Vladimir V.; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","Crystal structure of bis(η^5^-cyclopentadienyl)(1,4-di-<i>tert</i>-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ~2~-hydroxido-bis[tris(pentafluorophenyl)borate]","Acta Crystallographica Section E","2015","71","3","m71","m72","10.1107/S2056989015003710","","","0.71073","MoKα","","0.0661","0.0371","","","0.078","0.0833","","","","","","0.839","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240466","5.7207","0.0003","10.6225","0.0006","10.8103","0.0006","83.908","0.005","79.913","0.005","87.029","0.005","642.74","0.06","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C24 H30 N6 O4 S2 -","2","1","","de Oliveira, Adriano Bof; Lira de Farias, Renan; Näther, Christian; Jess, Inke","Crystal structure of (<i>E</i>)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide","Acta Crystallographica Section E","2015","71","3","o208","o209","10.1107/S2056989015003837","","","0.71073","MoKα","","0.0491","0.0394","","","0.1114","0.1163","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240467","16.4163","0.0015","15.8838","0.0015","13.5669","0.0013","90","","90","","90","","3537.6","0.6","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-Methoxypyrene","","- C17 H12 O -","- C17 H12 O -","- C204 H144 O12 -","12","3","SU5089","Morales-Espinoza, Eric G.; Rivera, Ernesto; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","Crystal structure of 1-methoxypyrene","Acta Crystallographica Section E","2015","71","3","o210","o211","10.1107/S2056989015003783","","","0.71073","MoKα","","0.0914","0.0584","","","0.1467","0.1703","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240468","6.6585","0.0013","6.6585","0.0013","9.962","0.003","90","","90","","120","","382.5","0.16","105","","105","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","Octadecanickel dodecagermanide","","- Ge11.87 Ni18.06 -","- Ge11.868 Ni18.064 -","- Ge11.868 Ni18.064 -","1","0.0833333","RU2062","Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Structure cristalline du composé intermétallique Ni~18~Ge~12~","Acta Crystallographica Section E","2015","71","3","318","320","10.1107/S2056989015003680","","","0.71073","MoKα","","0.1119","0.0622","","","0.0735","0.0905","","","","","","1.26","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240469","4.9857","0.0006","19.372","0.002","19.476","0.002","90","","90","","90","","1881.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-[2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)acetamido]pentanoic acid","<i>N</i>-(Benzyloxycarbonyl)glycylglycyl-<i>L</i>-norvaline","","- C17 H23 N3 O6 -","- C17 H23 N3 O6 -","- C68 H92 N12 O24 -","4","1","RZ5147","Nicholas, Sumesh","Crystal structure of the tripeptide <i>N</i>-(benzyloxycarbonyl)glycylglycyl-<small>L</small>-norvaline","Acta Crystallographica Section E","2015","71","3","o216","o217","10.1107/S205698901500393X","","","0.71073","MoKα","","0.1489","0.083","","","0.2037","0.2487","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240470","9.6863","0.0001","20.846","0.0002","13.1387","0.0001","90","","109.29","","90","","2504.03","0.04","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-4-<i>tert</i>-butyl-2-formylphenolato)-1:2κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;3:4κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^-bis(4-<i>tert</i>-butyl-2-formylphenolato)-2κ^2^<i>O</i>^1^,<i>O</i>^2^;4κ^2^<i>O</i>^1^,<i>O</i>^2^-di-μ~3~-methoxido-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-di-μ~2~-methoxido-1:4κ^2^<i>O</i>;2:3κ^2^<i>O</i>-tetracopper(II)","","- C48 H64 Cu4 O12 -","- C48 H64 Cu4 O12 -","- C96 H128 Cu8 O24 -","2","0.5","","Bugenhagen, Bernhard Eberhard Christian; Prosenc, Marc Heinrich","Crystal structure of bis(μ~2~-4-<i>tert</i>-butyl-2-formylphenolato)-1:2κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;3:4κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^-bis(4-<i>tert</i>-butyl-2-formylphenolato)-2κ^2^<i>O</i>^1^,<i>O</i>^2^;4κ^2^<i>O</i>^1^,<i>O</i>^2^-di-μ~3~-methoxido-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-di-μ~2~-methoxido-1:4κ^2^<i>O</i>;2:3κ^2^<i>O</i>-tetracopper(II)","Acta Crystallographica Section E","2015","71","3","324","326","10.1107/S205698901500376X","","","0.71073","MoKα","","0.0359","0.0255","","","0.066","0.0713","","","","","","1.002","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2240471","11.5297","0.0012","6.186","0.0006","20.657","0.002","90","","101.431","0.002","90","","1444.1","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-[(4-methylpyridin-2-yl)carbamothioyl]benzamide","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","HB7367","Adam, Farook; Ameram, Nadiah; Eltayeb, Naser Eltaher","Crystal structure of 4-methyl-<i>N</i>-[(4-methylpyridin-2-yl)carbamothioyl]benzamide","Acta Crystallographica Section E","2015","71","3","315","317","10.1107/S2056989015003412","","","0.71073","MoKα","","0.0771","0.048","","","0.1419","0.1636","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240472","12.9766","0.0004","10.5867","0.0003","33.5943","0.0009","90","","93.2592","0.0019","90","","4607.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido{2,6-bis[(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine}cobalt(II)","","- C25 H21 Cl2 Co N5 -","- C25 H21 Cl2 Co N5 -","- C200 H168 Cl16 Co8 N40 -","8","1","TK5360","Son, Kyung-sun; Woo, Jeong Oh; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of dichlorido{2,6-bis[(3-phenyl-1<i>H</i>-pyrazol-1-yl)methyl]pyridine}cobalt(II)","Acta Crystallographica Section E","2015","71","4","m75","m76","10.1107/S2056989015003862","","","0.71073","MoKα","","0.101","0.0576","","","","0.1318","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240473","8.975","0.005","13.268","0.005","16.528","0.005","90","","90","","90","","1968.2","1.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","","- C4 H32 Co N2 O16 S2 -","- C4 H32 Co N2 O16 S2 -","- C16 H128 Co4 N8 O64 S8 -","4","0.5","FK2085","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2015","71","4","m77","m78","10.1107/S2056989015003400","","","0.71073","MoKα","","0.1203","0.0393","","","0.0878","0.1109","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240474","8.7736","0.0002","8.8396","0.0002","17.681","0.0004","90","","98.822","0.0009","90","","1355.03","0.05","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>S</i>)-5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","HB7347","Price, Ivy K.; Rougeot, Celine; Hein, Jason E.","Crystal structure of (<i>S</i>)-5,7-diphenyl-4,7-dihydrotetrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2015","71","4","o220","o221","10.1107/S2056989015002996","","","1.54178","CuKα","","0.0548","0.0542","","","0.1193","0.1205","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240475","9.7755","0.0008","12.3986","0.001","14.1827","0.0011","86.293","0.003","84.328","0.002","86.816","0.002","1704.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","7-[(2<i>E</i>)-2-Benzylidene-3-oxobutoxy]-4-methyl-2<i>H</i>-chromen-2-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","2","","Caracelli, Ignez; Zukerman-Schpector, Julio; Moran, Paulo J. S.; de Paula, Bruno R. S.; Tiekink, Edward R. T.","Crystal structure of 7-[(2<i>E</i>)-2-benzylidene-3-oxobutoxy]-4-methyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2015","71","4","o222","o223","10.1107/S2056989015003084","","","0.71073","MoKα","","0.0499","0.0423","","","0.1157","0.1235","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240476","15.5868","0.0005","14.6323","0.0004","17.0439","0.0006","90","","90","","90","","3887.2","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","","- C19 H26 Br N3 O -","- C19 H26 Br N3 O -","- C152 H208 Br8 N24 O8 -","8","1","RZ5148","Quo, Qi; Yang, Liangru; Mao, Pu; Xiao, Yongmei; Yuan, Jinwei","Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","Acta Crystallographica Section E","2015","71","4","o224","","10.1107/S2056989015003989","","","0.7107","MoKα","","0.0923","0.0509","","","0.1152","0.1341","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240477","22.1623","0.0006","7.1193","0.0002","12.2911","0.0003","90","","94.432","0.001","90","","1933.49","0.09","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)cobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C20 H18 Co N2 O8 -","- C20 H18 Co N2 O8 -","- C80 H72 Co4 N8 O32 -","4","0.5","WM5129","Aşkın, Gülçin Şefiye; Çelik, Fatih; Dilek, Nefise; Necefoğlu, Hacali; Hökelek, Tuncer","Crystal structure of <i>catena</i>-poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)cobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2015","71","4","339","341","10.1107/S205698901500403X","","","0.71073","MoKα","","0.0263","0.025","","","0.0701","0.0714","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240478","7.3483","0.0002","12.2233","0.0003","13.9847","0.0004","95.323","0.001","90.281","0.002","99.802","0.001","1232.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Amino-PEG4-substituted-5-aryl-1,2,5-thiadiazolidin-3-one 1,1-dioxides","5-{4'-[(2-{2-[2-(2-Ammonioethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-4-methoxy-[1,1'-biphenyl]-3-yl}-3-oxo-1,2,5-thiadiazolidin-2-ide 1,1-dioxide","","- C24 H32 N4 O8 S -","- C24 H32 N4 O8 S -","- C48 H64 N8 O16 S2 -","2","1","","Ruddraraju, Kasi Viswanatharaju; Hillebrand, Roman; Barnes, Charles L.; Gates, Kent S.","Crystal structure of 5-{4'-[(2-{2-[2-(2-ammonioethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-4-methoxy-[1,1'-biphenyl]-3-yl}-3-oxo-1,2,5-thiadiazolidin-2-ide 1,1-dioxide: a potential inhibitor of the enzyme protein tyrosine phosphatase 1B (PTP1B)","Acta Crystallographica Section E","2015","71","4","336","338","10.1107/S2056989015003850","","","1.54178","CuKα","","0.0413","0.0394","","","0.1094","0.1113","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240479","11.8548","0.0012","11.4463","0.0011","9.8317","0.0009","90","","93.124","0.003","90","","1332.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-[(pyrrolidin-1-yl)carbothioyl]benzamide","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","1","SU5083","Suhud, Khairi; Heng, Lee Yook; Hasbullah, Siti Aishah; Ahmad, Musa; Kassim, Mohammad B.","Crystal structure of 4-methoxy-<i>N</i>-[(pyrrolidin-1-yl)carbothioyl]benzamide","Acta Crystallographica Section E","2015","71","4","o225","o226","10.1107/S2056989015003813","","","0.71073","MoKα","","0.0678","0.0493","","","0.1185","0.1302","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240482","9.3626","0.0016","10.5812","0.0018","18.648","0.003","90","","100.961","0.003","90","","1813.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] naphthalene-2,6-dicarboxylate hexahydrate","","- C36 H40 Cu2 N4 O14 -","- C36 H40 Cu2 N4 O14 -","- C72 H80 Cu4 N8 O28 -","2","0.5","XU5835","Arias-Zárate, Daniela; Ballesteros-Rivas, María Fernanda; Toscano, Rubén A.; Valdés-Martínez, Jesús","Crystal structure of di-μ-hydroxido-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] naphthalene-2,6-dicarboxylate hexahydrate","Acta Crystallographica Section E","2015","71","4","360","362","10.1107/S2056989015004338","","","0.71073","MoKα","","0.0592","0.0369","","","0.0756","0.0871","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240483","5.9396","0.0001","10.3243","0.0002","23.5474","0.0005","90","","96.952","0.002","90","","1433.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzylsulfonyl-1,2,3,4-tetrahydroquinoline","","- C15 H16 N2 S2 -","- C15 H16 N2 S2 -","- C60 H64 N8 S8 -","4","1","","Aziz, NurFadhilah Abdul; Yusof, Enis Nadia Md; Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.","Crystal structure of benzyl 3-(3-methylphenyl)dithiocarbazate","Acta Crystallographica Section E","2015","71","4","o233","o234","10.1107/S2056989015004764","","","1.5418","CuKα","","0.0377","0.0361","","","0.1021","0.1037","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240484","6.706","0.003","13.237","0.006","7.769","0.003","90","","96.5","0.03","90","","685.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Xenon_bis_fluorosulfate","Bis(fluorosulfato-κ<i>O</i>)xenon(II)","","- F2 O6 S2 Xe -","- F2 O6 S2 Xe -","- F8 O24 S8 Xe4 -","4","1","WM5134","Malischewski, Moritz; Seppelt, Konrad","Crystal structure of bis(fluorosulfato-κ<i>O</i>)xenon(II), Xe(SO~3~F)~2~","Acta Crystallographica Section E","2015","71","4","363","365","10.1107/S2056989015004788","","","0.71073","MoKα","","0.0146","0.0132","","","0.0321","0.0326","","","","","","1.108","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240485","6.9547","0.0007","9.7733","0.0009","10.1859","0.0009","117.449","0.01","94.978","0.011","93.379","0.011","608.23","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Bis(4-acetylpyridine-κ<i>N</i>)bis(ethanol-κ<i>O</i>)bis(thiocyanato-\ κ<i>N</i>)manganese(II)","Bis(ethanol-κ<i>O</i>)bis[1-(pyridin-4-yl)ethan-1-one-\ κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)manganese(II)","","- C20 H26 Mn N4 O4 S2 -","- C20 H26 Mn N4 O4 S2 -","- C20 H26 Mn N4 O4 S2 -","1","0.5","WM5131","Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(4-acetylpyridine-κ<i>N</i>)bis(ethanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2015","71","4","m81","m82","10.1107/S2056989015004533","","","0.71073","MoKα","","0.0414","0.0327","","","0.0848","0.0879","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240486","9.5707","0.0009","8.4181","0.0007","22.872","0.0019","90","","100.703","0.008","90","","1810.7","0.3","170.1","","170.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5'<i>S</i>,8'<i>S</i>)-3-(2,5-Dimethylphenyl)-8-methoxy-3-nitro-1-azaspiro[4.5]decane-2,4-dione","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","HB7342","Hu, Gao-Bo; Jiang, Da-Wei; Li, Jiang-Yan; Rao, Yan; Jiang, Li-Yuan","Crystal structure of (5'<i>S</i>,8'<i>S</i>)-3-(2,5-dimethylphenyl)-8-methoxy-3-nitro-1-azaspiro[4.5]decane-2,4-dione","Acta Crystallographica Section E","2015","71","4","o238","o239","10.1107/S2056989015004715","","","0.71073","MoKα","","0.0662","0.05","","","0.1259","0.139","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240487","7.5924","0.0005","21.9212","0.0014","9.3475","0.0005","90","","124.963","0.004","90","","1274.97","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-{1-[(<i>E</i>)-(4-fluorobenzyl)imino]ethyl}phenolato-κ^2^<i>N</i>,<i>O</i>)palladium(II)","","- C30 H26 F2 N2 O2 Pd -","- C30 H26 F2 N2 O2 Pd -","- C60 H52 F4 N4 O4 Pd2 -","2","0.5","SJ5444","Mohd Tajuddin, Amalina; Bahron, Hadariah; Mohd Zaki, Hamizah; Kassim, Karimah; Chantrapromma, Suchada","Crystal structure of bis(2-{1-[(<i>E</i>)-(4-fluorobenzyl)imino]ethyl}phenolato-κ^2^<i>N</i>,<i>O</i>)palladium(II)","Acta Crystallographica Section E","2015","71","4","350","353","10.1107/S2056989015004405","","","0.71073","MoKα","","0.0346","0.0341","","","0.0721","0.0725","","","","","","1.3","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240488","10.4324","0.0004","14.0786","0.0005","11.0356","0.0004","90","","98.741","0.002","90","","1602.01","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Khanapure, Sharanbasappa; Rashinkar, Gajanan; Chhowala, Tarulata; Anthal, Sumati; Kant, Rajni","Crystal structure of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide","Acta Crystallographica Section E","2015","71","4","o235","","10.1107/S2056989015004661","","","0.71073","MoKα","","0.0495","0.0413","","","0.1124","0.1221","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240489","24.713","0.003","9.6794","0.001","8.9445","0.001","90","","92.257","0.005","90","","2137.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyloxycarbonyl-β-glycylglycylglycine benzyl ester","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","LR2132","Nicholas, Sumesh","The tripeptide <i>N</i>-Cbz-βGly-Gly-Gly-Obz","Acta Crystallographica Section E","2015","71","4","o240","o241","10.1107/S2056989015004272","","","0.71073","MoKα","","0.1399","0.0958","","","0.2792","0.3257","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240490","16.2892","0.0009","15.0782","0.0008","11.684","0.0006","90","","110.018","0.0008","90","","2696.4","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate","","- C26 H24 N8 O7 Zn -","- C26 H24 N8 O7 Zn -","- C104 H96 N32 O28 Zn4 -","4","0.5","TK5361","Kim, Yongtae; Kang, Sung Kwon","Crystal structure of aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate","Acta Crystallographica Section E","2015","71","4","m85","m86","10.1107/S2056989015004636","","","0.71073","MoKα","","0.0317","0.0273","","","","0.078","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240491","7.8871","0.0019","7.9499","0.0019","9.891","0.002","76.807","0.004","73.241","0.004","60.652","0.003","514.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dihydridobis[tris(dimethylamino)phosphane-κ<i>P</i>]platinum(II)","","- C12 H38 N6 P2 Pt -","- C12 H38 N6 P2 Pt -","- C12 H38 N6 P2 Pt -","1","0.5","PK2545","Downs, Emma L.; Zakharov, Lev N.; Tyler, David R.","Crystal structure of <i>trans</i>-dihydridobis[tris(dimethylamino)phosphane-κ<i>P</i>]platinum(II)","Acta Crystallographica Section E","2015","71","4","m83","m84","10.1107/S2056989015004351","","","0.71073","MoKα","","0.0229","0.0229","","","0.059","0.059","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240492","8.7602","0.0005","9.1784","0.0005","9.2032","0.0005","67.206","0.002","71.67","0.003","75.195","0.002","639.98","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","9-methacryloylanthracene","1-(Anthracen-9-yl)-2-methylprop-2-en-1-one","","- C18 H14 O -","- C18 H14 O -","- C36 H28 O2 -","2","1","HB7286","Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J.","Crystal structure of 9-methacryloylanthracene","Acta Crystallographica Section E","2015","71","4","357","359","10.1107/S2056989015004090","","","0.71073","MoKα","","0.0394","0.0364","","","0.1028","0.106","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240493","7.4236","0.0004","7.5062","0.0004","16.3519","0.0008","77.092","0.003","77.494","0.003","66.734","0.003","807.51","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole","","- C20 H15 F N2 O2 -","- C20 H15 F N2 O2 -","- C40 H30 F2 N4 O4 -","2","1","SU5076","Govindhan, Muniyappan; Subramanian, Kathavarayan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole","Acta Crystallographica Section E","2015","71","4","o229","o230","10.1107/S2056989015004144","","","0.71073","MoKα","","0.0714","0.0422","","","0.1105","0.1343","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240494","16.4383","0.0005","13.1684","0.0004","8.2255","0.0002","90","","90.827","0.001","90","","1780.36","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[1-(4-Bromobenzyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione","","- C20 H14 Br N3 O3 -","- C20 H14 Br N3 O3 -","- C80 H56 Br4 N12 O12 -","4","1","SU5090","Raja, Rajamani; Kandhasamy, Subramani; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 2-{[1-(4-bromobenzyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione","Acta Crystallographica Section E","2015","71","4","o231","o232","10.1107/S2056989015004429","","","0.71073","MoKα","","0.0795","0.0435","","","0.1036","0.1192","","","","","","1.013","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240495","9.9604","0.0006","14.3192","0.0009","10.6878","0.0007","90","","98.91","0.0009","90","","1505.95","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-{μ-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate]","","- C13 H13 Ag N6 O3 -","- C13 H13 Ag N6 O3 -","- C52 H52 Ag4 N24 O12 -","4","1","ZQ2231","Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of <i>catena</i>-poly[[silver(I)-{μ-2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2'^}] nitrate]","Acta Crystallographica Section E","2015","71","4","m79","m80","10.1107/S2056989015004120","","","0.71073","MoKα","","0.0354","0.0268","","","","0.0625","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240496","8.0442","0.0006","9.8711","0.0007","10.1458","0.0007","97.683","0.001","112.32","0.001","99.41","0.001","718.12","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","[2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II)","","- C15 H12 F2 N2 O2 Pt -","- C15 H12 F2 N2 O2 Pt -","- C30 H24 F4 N4 O4 Pt2 -","2","1","","Park, Ki-Min; Lee, Jieun; Kang, Youngjin","Crystal structure of [2,6-difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II)","Acta Crystallographica Section E","2015","71","4","354","356","10.1107/S2056989015004375","","","0.71073","MoKα","","0.0178","0.0174","","","0.0524","0.0526","","","","","","1.065","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240497","12.476","0.005","11.741","0.005","20.313","0.007","90","","90","","90","","2975","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","","- C8 H15 Fe N3 O8 S -","- C8 H15 Fe N3 O8 S -","- C64 H120 Fe8 N24 O64 S8 -","8","1","WM5132","Setifi, Zouaoui; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Merazig, Hocine","Crystal structure of tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","Acta Crystallographica Section E","2015","71","4","346","349","10.1107/S2056989015004417","","","0.71073","MoKα","","0.0682","0.0362","","","0.0799","0.0912","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240498","10.69424","0.00012","5.61453","0.00005","17.2737","0.0002","90","","100.703","0.0008","90","","1019.12","0.019","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate","","- C4 H28 Cd N2 O18 P4 -","- C4 H28 Cd N2 O18 P4 -","- C8 H56 Cd2 N4 O36 P8 -","2","0.5","CV5484","Rukiah, Mwaffak; Assaad, Thaer","Crystal structure of bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate: a powder X-ray diffraction study","Acta Crystallographica Section E","2015","71","4","342","345","10.1107/S2056989015004028","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.62","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2240499","12.877","0.005","5.874","0.005","21.988","0.005","90","0.005","99.06","0.005","90","0.005","1642.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1<i>H</i>-benzimidazol-2-yl)-2-[2-(4-nitrophenyl)hydrazinylidene]acetate","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C68 H60 N20 O16 -","4","1","IM2461","Loughzail, Mohamed; Baouid, Abdesselam; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of ethyl 2-(1<i>H</i>-benzimidazol-2-yl)-2-[2-(4-nitrophenyl)hydrazinylidene]acetate","Acta Crystallographica Section E","2015","71","4","o236","o237","10.1107/S2056989015004818","","","0.71073","MoKα","","0.0551","0.0384","","","0.0967","0.108","","","","","","1.031","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240500","6.7947","0.0005","8.5169","0.0008","11.1199","0.0009","84.948","0.007","81.825","0.006","84.084","0.007","631.81","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-Ethyl-1-[(<i>E</i>)-[1-(2-hydroxyphenyl)ethylidene]amino]thiourea monohydrate","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C22 H34 N6 O4 S2 -","2","1","","Jamsari, Junita; Abas, Nur Fatihah; Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.","Crystal structure of 2'-hydroxyacetophenone 4-methylthiosemicarbazide","Acta Crystallographica Section E","2015","71","4","o244","o245","10.1107/S2056989015004958","","","1.5418","CuKα","","0.0383","0.0346","","","0.0918","0.0952","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240501","7.6821","0.0004","23.2151","0.0012","25.1943","0.0015","90","","95.803","0.002","90","","4470.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C192 H176 N32 O40 -","8","2","HG5434","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","Crystal structure of (2<i>E</i>)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide","Acta Crystallographica Section E","2015","71","4","377","379","10.1107/S2056989015004569","","","0.71073","MoKα","","0.0558","0.0396","","","0.0867","0.0936","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240502","19.7865","0.0007","6.86","0.0002","16.1805","0.0005","90","","94.88","0.003","90","","2188.31","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((1<i>E</i>)-{2-[Bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","","- C25 H26 N2 O2 S2 -","- C25 H26 N2 O2 S2 -","- C100 H104 N8 O8 S8 -","4","1","","Yusof, Enis Nadia Md; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T.","Crystal structure of 2-((1<i>E</i>)-{2-[bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","Acta Crystallographica Section E","2015","71","4","o242","o243","10.1107/S2056989015004946","","","1.5418","CuKα","","0.0371","0.0347","","","0.0919","0.0942","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240503","9.5585","0.0006","14.7675","0.0007","22.6079","0.0012","79.708","0.004","85.771","0.004","89.944","0.004","3131.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bromidonitrosylbis(triphenylphosphane-κ<i>P</i>)nickel(II)","","- C36 H30 Br N Ni O P2 -","- C36 H30 Br N Ni O P2 -","- C144 H120 Br4 N4 Ni4 O4 P8 -","4","2","XU5839","Hockley, Rose; Irshad, Hira; Sheriff, Tippu S.; Motevalli, Majid; Marinakis, Sarantos","Crystal structure of bromidonitrosylbis(triphenylphosphane-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2015","71","4","m87","m88","10.1107/S2056989015004703","","","0.71073","MoKα","","0.0666","0.05","","","0.1176","0.1253","","","","","","1.043","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240504","16.9383","0.0012","16.9383","0.0012","17.6259","0.0013","90","","90","","120","","4379.5","0.5","133","2","133.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","<i>fac</i>-Triaquatris(thiocyanato-κ<i>N</i>)iron(III)‒2,3-dimethylpyrazine (1/3)","","- C21 H30 Fe N9 O3 S3 -","- C21 H30 Fe N9 O3 S3 -","- C126 H180 Fe6 N54 O18 S18 -","6","0.333333","XU5840","Kucheriv, Olesia I.; Shylin, Sergii I.; Ilina, Tetiana A.; Dechert, Sebastian; Gural'skiy, Il'ya A.","Crystal structure of the co-crystal <i>fac</i>-triaquatris(thiocyanato-κ<i>N</i>)iron(III)‒2,3-dimethylpyrazine (1/3)","Acta Crystallographica Section E","2015","71","4","374","376","10.1107/S2056989015004831","","","0.71073","MoKα","","0.0449","0.0376","","","0.0683","0.0701","","","","","","1.067","","","","has coordinates","203907","2020-10-21","18:00:00",""
"2240505","22.4721","0.0007","7.1729","0.0002","23.6377","0.0008","90","","91.764","0.002","90","","3808.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C20 H16 N2 O7 Zn -","- C20 H16 N2 O7 Zn -","- C160 H128 N16 O56 Zn8 -","8","2","WM5135","Aşkın, Gülçin Şefiye; Çelik, Fatih; Dilek, Nefise; Necefoğlu, Hacali; Hökelek, Tuncer","Crystal structure of <i>catena</i>-poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2015","71","4","402","405","10.1107/S2056989015005472","","","0.71073","MoKα","","0.0513","0.0411","","","0.0977","0.1018","","","","","","1.101","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240506","10.7595","0.0006","11.6318","0.0005","18.8162","0.0008","104.846","0.004","91.038","0.004","109.119","0.004","2137.26","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis{(<i>Z</i>)-(benzylamino)[(5<i>Z</i>)-2-(benzylimino-κ<i>N</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxothiolan-3-ylidene]methanethiolato-κ<i>S</i>}copper(II)","","- C44 H38 Cu N4 O6 S4 -","- C44 H38 Cu N4 O6 S4 -","- C88 H76 Cu2 N8 O12 S8 -","2","1","","Obydennov, Konstantin; Khamidullina, Liliya; Slepukhin, Pavel; Morzherin, Yury","Crystal structure of bis{(<i>Z</i>)-(benzylamino)[(5<i>Z</i>)-2-(benzylimino-κ<i>N</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxothiolan-3-ylidene]methanethiolato-κ<i>S</i>}copper(II)","Acta Crystallographica Section E","2015","71","4","m93","m94","10.1107/S2056989015005022","","","0.7107","MoKα","","0.1278","0.0577","","","0.128","0.1623","","","","","","1.005","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240507","6.7987","0.0003","17.891","0.001","15.7161","0.0008","90","","100.482","0.004","90","","1879.74","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[bis[(<i>R</i>)-propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[tris(cyanido-κ<i>C</i>)(nitroso-κ<i>N</i>)iron(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>] monohydrate]","","- C11 H22 Cu Fe N10 O2 -","- C11 H22 Cu Fe N10 O2 -","- C44 H88 Cu4 Fe4 N40 O8 -","4","2","","Sereda, Olha; Stoeckli-Evans, Helen","Crystal structures of {[Cu(Lpn)~2~][Fe(CN)~5~(NO)]·H~2~O}~<i>n~</i> and {[Cu(Lpn)~2~]~3~[Cr(CN)~6~]~2~·5H~2~O}~<i>n~</i> [where Lpn = (<i>R</i>)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers","Acta Crystallographica Section E","2015","71","4","392","397","10.1107/S2056989015005253","","","0.71073","MoKα","","0.0401","0.0313","","","0.0743","0.0775","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240508","10.1474","0.001","17.6136","0.001","15.5376","0.0014","90","","103.973","0.011","90","","2694.9","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[hexa-μ-cyanido-κ^12^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-hexakis[(<i>R</i>)-propane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']dichromiun(III)tricopper(II)] pentahydrate]","","- C30 H70 Cr2 Cu3 N24 O5 -","- C30 H68 Cr2 Cu3 N24 O5 -","- C60 H136 Cr4 Cu6 N48 O10 -","2","1","","Sereda, Olha; Stoeckli-Evans, Helen","Crystal structures of {[Cu(Lpn)~2~][Fe(CN)~5~(NO)]·H~2~O}~<i>n~</i> and {[Cu(Lpn)~2~]~3~[Cr(CN)~6~]~2~·5H~2~O}~<i>n~</i> [where Lpn = (<i>R</i>)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers","Acta Crystallographica Section E","2015","71","4","392","397","10.1107/S2056989015005253","","","0.71073","MoKα","","0.1223","0.0521","","","0.1109","0.1307","","","","","","0.787","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240509","13.569","0.0005","6.7128","0.0002","16.8317","0.0006","90","","110.243","0.001","90","","1438.44","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzylsulfonyl-1,2,3,4-tetrahydroquinoline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","HB7377","Jeyaseelan, S.; Sowmya, B. R.; Venkateshappa, G.; Raghavendra Kumar, P.; Palakshamurthy, B. S.","Crystal structure of 1-benzylsulfonyl-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2015","71","4","o249","o250","10.1107/S2056989015004727","","","0.71073","MoKα","","0.0403","0.0361","","","0.0981","0.1013","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240510","7.2023","0.0002","8.6802","0.0002","7.2922","0.0001","90","","106.497","0.002","90","","437.123","0.017","110","","110","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ruthenocenecarbonitrile","","- C11 H9 N Ru -","- C11 H9 N Ru -","- C22 H18 N2 Ru2 -","2","0.5","WM5119","Strehler, Frank; Korb, Marcus; Lang, Heinrich","Crystal structure of ruthenocenecarbonitrile","Acta Crystallographica Section E","2015","71","4","398","401","10.1107/S205698901500540X","","","0.71073","MoKα","","0.0125","0.012","","","0.0319","0.0321","","","","","","1.053","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240511","6.8547","0.0008","6.941","0.0008","17.597","0.002","87.958","0.006","87.462","0.006","78.818","0.004","820.23","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Silver aluminiun tricobalt pentakis(tetraoxidomolybdate)","","- Ag0.9 Al1.06 Co2.94 Mo5 O20 -","- Ag0.894 Al1.059 Co2.941 Mo5 O20 -","- Ag1.788 Al2.118 Co5.882 Mo10 O40 -","2","1","VN2089","Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi","Structure cristalline de la triple molybdate Ag~0.90~Al~1.06~Co~2.94~(MoO~4~)~5~","Acta Crystallographica Section E","2015","71","4","388","391","10.1107/S2056989015005290","","","0.71073","MoKα","","0.0348","0.0269","","","0.066","0.0698","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240512","9.1832","0.0006","14.5805","0.0009","17.5148","0.0011","90","","90","","90","","2345.2","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Berkeleydione","(5a<i>S</i>,7<i>R</i>,9<i>S</i>,11<i>R</i>,11a<i>S</i>)-Methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-<i>c</i>]pyran-11-carboxylate","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","SU5086","Stierle, Andrea; Stierle, Donald; Decato, Daniel","Redetermination and absolute configuration of berkeleydione","Acta Crystallographica Section E","2015","71","4","o248","","10.1107/S2056989015003965","","","1.54178","CuKα","","0.0369","0.0342","","","0.0889","0.0907","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240513","8.581","0.005","9.032","0.005","14.278","0.005","82.222","0.005","87.729","0.005","73.117","0.005","1049.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^8^)nickel(II)] dihydrate","","- C44 H36 N8 Ni2 O18 -","- C44 H36 N8 Ni2 O18 -","- C44 H36 N8 Ni2 O18 -","1","0.5","","Lv, Ying; Hao, Xiang-Rong","Crystal structure of a binuclear nickel(II) complex constructed of 1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tricarboxylic acid","Acta Crystallographica Section E","2015","71","4","m95","m96","10.1107/S205698901500420X","","","0.71069","MoKα","","0.0392","0.0307","","","0.0706","0.0721","","","","","","0.947","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240514","10.55","0.002","28.329","0.006","25.622","0.006","90","","95.859","0.004","90","","7618","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-\ μ~3~-bromido-\ trisilver(I) bromide‒<i>N</i>,<i>N</i>'-phenylthiourea (1/1)","","- C82 H74 Ag3 Br3 N2 P6 S -","- C82 H74 Ag3 Br3 N2 P6 S -","- C328 H296 Ag12 Br12 N8 P24 S4 -","4","1","","Nimthong-Roldán, Arunpatcha; Wattanakanjana, Yupa; Rodkeaw, Jintana","Crystal structure of tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-bromido-trisilver(I) bromide‒<i>N</i>,<i>N</i>'-phenylthiourea (1/1)","Acta Crystallographica Section E","2015","71","4","m89","m90","10.1107/S2056989015005150","","","0.71073","MoKα","","0.0673","0.0408","","","0.087","0.0972","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240515","5.3145","0.0012","11.991","0.003","19.767","0.005","90","","90","","90","","1259.7","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","XU5838","Zhang, Xiao-Ping; Chen, Xin; Huang, Kun-Lin","Crystal structure of <i>catena</i>-poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]","Acta Crystallographica Section E","2015","71","4","m91","m92","10.1107/S2056989015005411","","","0.71073","MoKα","","0.0462","0.0392","","","0.1492","0.1548","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240516","13.9848","0.0004","14.6221","0.0004","22.2177","0.0006","90","","90","","90","","4543.2","0.2","100","2","100","2","","","","","","","","7","I b c a","-I 2b 2c","73","","{2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)cyclohexane-<i>trans</i>-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate","","- C22 H26 Co F6 N4 O4 P -","- C22 H26 Co F6 N4 O4 P -","- C176 H208 Co8 F48 N32 O32 P8 -","8","0.5","ZL2616","McLauchlan, Craig C.; Kissel, Daniel S.; Herlinger, Albert W.","Crystal structure of {2,2'-[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)cyclohexane-<i>trans</i>-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate","Acta Crystallographica Section E","2015","71","4","380","384","10.1107/S2056989015005149","","","0.71073","MoKα","","0.0287","0.027","","","0.077","0.0786","","","","","","1.117","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240517","7.944","0.004","22.523","0.004","11.783","0.002","90","","109.34","0.02","90","","1989.3","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate","","- C14 H27 Cl2 N5 O2 Pt -","- C14 H27 Cl2 N5 O2 Pt -","- C56 H108 Cl8 N20 O8 Pt4 -","4","1","","Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo","Crystal structure of {bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate","Acta Crystallographica Section E","2015","71","4","m98","m99","10.1107/S2056989015005307","","","0.71073","MoKα","","0.0581","0.0521","","","0.1325","0.1383","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240518","11.2453","0.0003","10.5272","0.0003","17.5339","0.0006","90","","90","","90","","2075.69","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C80 H112 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2,2-dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","Acta Crystallographica Section E","2015","71","4","o246","o247","10.1107/S2056989015005289","","","1.54184","CuKα","","0.0488","0.0411","","","0.119","0.1273","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240519","9.622","0.004","9.707","0.005","14.666","0.007","77.288","0.005","86.934","0.004","74.736","0.004","1289.1","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(2<i>E</i>,3<i>E</i>)-<i>N</i>^2^,<i>N</i>^3^-Bis(3-ethyl-[1,1'-biphenyl]-4-yl)butane-2,3-diimine","","- C32 H32 N2 -","- C32 H32 N2 -","- C64 H64 N4 -","2","1","","Zhao, Yan; Yuan, Jianchao; Zhao, Jie; Zhao, Shenglan","Crystal structure of (2<i>E</i>,3<i>E</i>)-<i>N</i>^2^,<i>N</i>^3^-bis(3-ethyl-[1,1'-biphenyl]-4-yl)butane-2,3-diimine","Acta Crystallographica Section E","2015","71","4","o251","o252","10.1107/S2056989015005071","","","0.71073","MoKα","","0.1383","0.0687","","","0.1864","0.2454","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240520","31.086","0.006","11.414","0.004","17.9","0.005","90","","101.265","0.008","90","","6229","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-Oxido-1,1'κ^2^<i>O</i>:<i>O</i>-bis{tetra-μ-oxido-1:2κ^2^<i>O</i>:<i>O</i>;1:3κ^2^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-tris-[1,2,3(η^5^)-pentamethylcyclopentadienyl]-<i>trianglo</i>-trititanium(IV)}","","- C60 H90 O9 Ti6 -","- C60 H90 O9 Ti6 -","- C240 H360 O36 Ti24 -","4","0.5","RZ5150","Pérez-Redondo, Adrián; Martín, Avelino","Crystal structure of μ-oxido-1,1'κ^2^<i>O</i>:<i>O</i>-bis{tetra-μ-oxido-1:2κ^2^<i>O</i>:<i>O</i>;1:3κ^2^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-tris[1,2,3(η^5^)-pentamethylcyclopentadienyl]-<i>trianglo</i>-trititanium(IV)}","Acta Crystallographica Section E","2015","71","4","m97","","10.1107/S2056989015004041","","","0.71073","MoKα","","0.0959","0.0563","","","0.1147","0.1329","","","","","","1.137","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240521","35.623","0.002","3.8172","0.0002","18.6525","0.0008","90","","90","","90","","2536.4","0.2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-{[(6-Methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C120 H96 N16 O16 S8 -","8","2","HG5435","Hijji, Yousef; Barare, Belygona; Wairia, Gilbert; Butcher, Ray J.; Wikaira, Jan","Crystal structure of (<i>E</i>)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","4","385","387","10.1107/S2056989015005228","","","1.54178","CuKα","","0.0762","0.0726","","","0.1854","0.1885","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240522","14.4283","0.0005","13.8196","0.0005","8.0483","0.0003","90","","101.441","0.002","90","","1572.89","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxyquinolinium 3-nitrophthalate monohydrate","","- C17 H14 N2 O8 -","- C17 H14 N2 O8 -","- C68 H56 N8 O32 -","4","1","HB7385","Divya Bharathi, M.; Ahila, G.; Mohana, J.; Chakkaravarthi, G.; Anbalagan, G.","Crystal structure of 8-hydroxyquinolinium 3-nitrophthalate monohydrate","Acta Crystallographica Section E","2015","71","4","o261","o262","10.1107/S205698901500571X","","","0.71073","MoKα","","0.1208","0.0602","","","0.1378","0.1755","","","","","","1.019","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240523","10.4493","0.0003","13.6989","0.0003","8.0235","0.0003","90","","102.816","0.003","90","","1119.9","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-{(<i>E</i>)-[(3-methylpyridin-2-yl)methylidene]amino}thiourea monohydrate","","- C9 H14 N4 O S -","- C9 H14 N4 O S -","- C36 H56 N16 O4 S4 -","4","1","","Mokhtaruddin, Nur Shuhada Mohd; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T.","Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate","Acta Crystallographica Section E","2015","71","4","o253","o254","10.1107/S2056989015005034","","","1.5418","CuKα","","0.035","0.0335","","","0.0954","0.0967","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240524","21.6153","0.001","8.1227","0.0004","13.9404","0.0008","90","","94.395","0.005","90","","2440.4","0.2","150.04","0.11","150.04","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl 3,3'-{2,2'-(1<i>E</i>)-[1,4-phenylenebis(azan-1-yl-1-ylidene)]bis(methan-1-yl-1-ylidene)bis(1<i>H</i>-pyrrole-2,1-diyl)}dipropanoate","","- C26 H30 N4 O4 -","- C26 H30 N4 O4 -","- C104 H120 N16 O16 -","4","0.5","HB7371","Alshawi, Jasim; Yousif, Muoayed; Timco, Gregore; Vitorica Yrezabal, Inigo J.; Winpenny, Richard; Al-Jeboori, Mohamad J.","Crystal structure of diethyl 3,3'-{2,2'-(1<i>E</i>)-[1,4-phenylenebis(azan-1-yl-1-ylidene)]bis(methan-1-yl-1-ylidene)bis(1<i>H</i>-pyrrole-2,1-diyl)}dipropanoate","Acta Crystallographica Section E","2015","71","4","o259","o260","10.1107/S2056989015005113","","","0.71073","MoKα","","0.1121","0.0548","","","0.1012","0.1382","","","","","","1.1","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240525","5.993","0.006","10.064","0.009","11.614","0.011","107.913","0.009","100.484","0.01","99.26","0.009","637.5","1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2,3-Bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane","4-<i>tert</i>-Butyl-<i>N</i>-{3-[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butan-2-ylidene}-2,6-dimethylaniline","","- C28 H40 N2 -","- C28 H40 N2 -","- C28 H40 N2 -","1","0.5","","Zhao, Sheng-Lan; Yuan, Jian-Chao; Zhao, Yan","Crystal structure of 2,3-bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane","Acta Crystallographica Section E","2015","71","4","o258","","10.1107/S2056989015005551","","","0.71073","MoKα","","0.1535","0.1024","","","0.2008","0.2204","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240526","15.3593","0.0002","15.7685","0.0002","11.8679","0.0002","90","","91.8097","0.0014","90","","2872.89","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Clozapinium 3,5-dinitrobenzoate dimethyl sulfoxide monosolvate","","- C27 H29 Cl N6 O7 S -","- C27 H29 Cl N6 O7 S -","- C108 H116 Cl4 N24 O28 S4 -","4","1","HB7383","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Glidewell, Christopher","The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2015","71","4","406","413","10.1107/S205698901500554X","","","1.54184","CuKα","","0.0672","0.056","","","0.1421","0.1516","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240527","9.7166","0.0003","9.9699","0.0002","23.1059","0.0006","90","","96.8","0.003","90","","2222.6","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Clozapinium hydrogen maleate 0.21-hydrate","","- C22 H23.42 Cl N4 O4.21 -","- C22 H23.42 Cl N4 O4.21 -","- C88 H93.68 Cl4 N16 O16.84 -","4","1","HB7383","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Glidewell, Christopher","The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2015","71","4","406","413","10.1107/S205698901500554X","","","1.54184","CuKα","","0.0565","0.0476","","","0.1252","0.1332","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240528","17.4296","0.0005","15.3728","0.0005","8.6359","0.0003","90","","90.325","0.003","90","","2313.88","0.13","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Clozapinium 2-hydroxybenzoate","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C100 H100 Cl4 N16 O12 -","4","1","HB7383","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.; Kavitha, Channappa N.; Glidewell, Christopher","The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2015","71","4","406","413","10.1107/S205698901500554X","","","1.54184","CuKα","","0.0574","0.0563","","","0.1384","0.1409","","","","","","1.082","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240529","14.7942","0.0011","8.9398","0.0007","13.8194","0.0011","90","","101.675","0.001","90","","1789.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-Diisopropyl-1,1'-(pyridine-2,6-diyl)bis[1<i>H</i>-imidazole-2(3<i>H</i>)-thione]","","- C17 H21 N5 S2 -","- C17 H21 N5 S2 -","- C68 H84 N20 S8 -","4","1","","Sun, Ying; Wang, Hui; Jia, Wei-Guo","Crystal structure of 3,3'-diisopropyl-1,1'-(pyridine-2,6-diyl)bis[1<i>H</i>-imidazole-2(3<i>H</i>)-thione]","Acta Crystallographica Section E","2015","71","4","o255","","10.1107/S2056989015005642","","","0.71073","MoKα","","0.0531","0.0381","","","0.1012","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240530","8.1787","0.0012","9.619","0.0014","12.0881","0.0018","73.673","0.003","71.158","0.003","86.167","0.003","863.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C40 H28 N4 O6 S2 -","2","1","","Yennawar, Hemant; Cali, Aaron S.; Xie, Yiwen; Silverberg, Lee J.","Crystal structures of 2-(4-nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one and 2-(2-nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","Acta Crystallographica Section E","2015","71","4","414","417","10.1107/S2056989015004545","","","0.71073","MoKα","","0.0428","0.0396","","","0.1108","0.1141","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240531","10.7396","0.0019","11.778","0.002","13.532","0.002","90","","96.933","0.003","90","","1699.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","","Yennawar, Hemant; Cali, Aaron S.; Xie, Yiwen; Silverberg, Lee J.","Crystal structures of 2-(4-nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one and 2-(2-nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","Acta Crystallographica Section E","2015","71","4","414","417","10.1107/S2056989015004545","","","0.71073","MoKα","","0.066","0.0506","","","0.1204","0.1277","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240532","5.1469","0.0005","12.0773","0.0012","13.0892","0.0011","87.247","0.007","84.396","0.007","79.024","0.009","794.57","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1<i>H</i>-pyrazol-4-yl](<i>p</i>-tolyl)methanone","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C36 H30 Cl2 N4 O4 -","2","1","","Kumar, Balbir; Nakum, Kiran J.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","Crystal structure of [1-(3-chlorophenyl)-5-hydroxy-3-methyl-1<i>H</i>-pyrazol-4-yl](<i>p</i>-tolyl)methanone","Acta Crystallographica Section E","2015","71","5","o280","o281","10.1107/S2056989015006258","","","0.71073","MoKα","","0.1416","0.0619","","","0.1241","0.1635","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240533","12.1894","0.0006","18.6119","0.0008","8.937","0.0004","90","","110.36","0.001","90","","1900.85","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Methyl-4-phenyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)(phenyl)methanone","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","SU5105","Sankar, T.; Naveen, S.; Lokanath, N. K.; Gunasekaran, K.","Crystal structure of (2-methyl-4-phenyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)(phenyl)methanone","Acta Crystallographica Section E","2015","71","5","o276","o277","10.1107/S2056989015006428","","","1.54178","CuKα","","0.0402","0.0398","","","0.1084","0.1088","","","","","","1.084","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240534","11.1853","0.0006","11.5046","0.0006","14.5237","0.0007","90.855","0.002","102.859","0.002","118.683","0.001","1582.21","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]tris(methanol-κ<i>O</i>)lithium methanol monosolvate","","- C28 H50 Li O8 P -","- C28 H50 Li O8 P -","- C56 H100 Li2 O16 P2 -","2","1","WM5137","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh.","Crystal structure of [bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]tris(methanol-κ<i>O</i>)lithium methanol monosolvate","Acta Crystallographica Section E","2015","71","5","443","446","10.1107/S2056989015005563","","","0.71073","MoKα","","0.05","0.0395","","","0.1048","0.1115","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240535","13.238","0.003","9.613","0.002","14.486","0.003","90","","109.63","0.02","90","","1736.3","0.7","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1,3-Di-<i>tert</i>-butyl-η^5^-cyclopentadienyl)trimethylhafnium(IV)","","- C16 H30 Hf -","- C16 H30 Hf -","- C64 H120 Hf4 -","4","1","WM5139","Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos","Crystal structure of (1,3-di-<i>tert</i>-butyl-η^5^-cyclopentadienyl)trimethylhafnium(IV)","Acta Crystallographica Section E","2015","71","5","m100","m101","10.1107/S205698901500585X","","","0.71073","MoKα","","0.0474","0.0317","","","","0.073","","","","","","1.121","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240536","9.0293","0.0005","15.2154","0.0008","13.7936","0.0006","90","","91.8197","0.0013","90","","1894.07","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(8-diphenylphosphanylquinoline)palladium(II)","","- C21 H16 Cl2 N P Pd -","- C21 H16 Cl2 N P Pd -","- C84 H64 Cl8 N4 P4 Pd4 -","4","1","IS5392","Suzuki, Takayoshi; Yamaguchi, Hiroshi; Fujiki, Masayuki; Hashimoto, Akira; Takagi, Hideo D.","Crystal structures of dichloridopalladium(II), -platinum(II) and -rhodium(III) complexes containing 8-(diphenylphosphanyl)quinoline","Acta Crystallographica Section E","2015","71","5","447","451","10.1107/S2056989015006076","","","0.71075","MoKα","","0.0315","0.0282","","","0.0713","0.0744","","","","","","0.918","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240537","13.928","0.0005","9.2371","0.0003","17.8941","0.0006","90","","102.845","0.001","90","","2244.54","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(8-diphenylphosphanylquinoline)platinum(II) dichloromethane monosolvate","","- C22 H18 Cl4 N P Pt -","- C22 H18 Cl4 N P Pt -","- C88 H72 Cl16 N4 P4 Pt4 -","4","1","","Suzuki, Takayoshi; Yamaguchi, Hiroshi; Fujiki, Masayuki; Hashimoto, Akira; Takagi, Hideo D.","Crystal structures of dichloridopalladium(II), -platinum(II) and -rhodium(III) complexes containing 8-(diphenylphosphanyl)quinoline","Acta Crystallographica Section E","2015","71","5","447","451","10.1107/S2056989015006076","","","0.71075","MoKα","","0.0201","0.0173","","","0.0355","0.0366","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240538","9.841","0.005","13.825","0.006","16.167","0.008","87.307","0.019","81.8","0.02","70.819","0.018","2056.2","1.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","<i>cis</i>-Dichloridobis(8-diphenylphosphanylquinoline)rhodium(III) hexafluoridophosphate dichloromethane/methanol hemisolvate","","- C43 H35 Cl3 F6 N2 O0.5 P3 Rh -","- C43 H35 Cl3 F6 N2 O0.5 P3 Rh -","- C86 H70 Cl6 F12 N4 O P6 Rh2 -","2","1","","Suzuki, Takayoshi; Yamaguchi, Hiroshi; Fujiki, Masayuki; Hashimoto, Akira; Takagi, Hideo D.","Crystal structures of dichloridopalladium(II), -platinum(II) and -rhodium(III) complexes containing 8-(diphenylphosphanyl)quinoline","Acta Crystallographica Section E","2015","71","5","447","451","10.1107/S2056989015006076","","","0.71075","MoKα","","0.0579","0.0442","","","0.1121","0.1195","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240539","7.1401","0.0004","8.7787","0.0004","9.0678","0.0004","91.517","0.003","104.227","0.003","94.714","0.003","548.44","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 1-methyl-2-oxospiro[indoline-3,2'-oxirane]-3'-carboxylate","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C24 H22 N2 O8 -","2","1","HB7369","Savithri, M. P.; Yuvaraj, P. S.; Reddy, B. S. R.; Raja, R.; SubbiahPandi, A.","Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2'-oxirane]-3'-carboxylate","Acta Crystallographica Section E","2015","71","5","o274","o275","10.1107/S2056989015006398","","","0.71073","MoKα","","0.0705","0.0554","","","0.1586","0.1726","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240540","10.632","0.0004","17.2695","0.0005","19.4067","0.0007","90","","94.223","0.003","90","","3553.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[<i>N</i>-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>]zinc dimethyl sulfoxide monosolvate","","- C36 H38 N6 O S3 Zn -","- C36 H38 N6 O S3 Zn -","- C144 H152 N24 O4 S12 Zn4 -","4","1","","Cruz Santana, Genelane; de Gimenez, Iara; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof","Crystal structure of bis[<i>N</i>-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>]zinc dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2015","71","5","440","442","10.1107/S205698901500612X","","","0.71073","MoKα","","0.0498","0.0424","","","0.0935","0.0972","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240541","14.7622","0.0008","14.2461","0.0008","7.6395","0.0004","90","","104.434","0.002","90","","1555.9","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinolinium 2-carboxy-6-nitrobenzoate monohydrate","","- C17 H14 N2 O7 -","- C17 H14 N2 O7 -","- C68 H56 N8 O28 -","4","1","HB7390","Mohana, J.; Divya Bharathi, M.; Ahila, G.; Chakkaravarthi, G.; Anbalagan, G.","Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate","Acta Crystallographica Section E","2015","71","5","o270","o271","10.1107/S2056989015006052","","","0.71073","MoKα","","0.0639","0.0392","","","0.0984","0.1154","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240542","7.368","0.0005","22.4243","0.0014","6.6148","0.0004","90","","90","","90","","1092.91","0.12","299","2","299","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","5,5'-Dibromo-3,3'-di-<i>tert</i>-butyl-6,6'-dimethylbiphenyl-2,2'-diol","","- C22 H28 Br2 O2 -","- C22 H28 Br2 O2 -","- C44 H56 Br4 O4 -","2","0.5","SU5104","Obata, Rika; Ohba, Shigeru; Einaga, Yasuaki; Nishiyama, Shigeru","Crystal structure of 5,5'-dibromo-3,3'-di-<i>tert</i>-butyl-6,6'-dimethylbiphenyl-2,2'-diol","Acta Crystallographica Section E","2015","71","5","o278","o279","10.1107/S2056989015006313","","","0.71073","MoKα","","0.048","0.0314","","","0.0601","0.065","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240543","9.6376","0.0002","10.1602","0.0002","8.9254","0.0002","90","","90","","90","","873.97","0.03","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C36 H40 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","5","o272","o273","10.1107/S2056989015006039","","","1.54184","CuKα","","0.0215","0.0213","","","0.057","0.0571","","","","","","1.084","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240544","8.3634","0.0008","22.664","0.002","8.8079","0.0009","90","","95.413","0.003","90","","1662.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(4-Hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","RZ5152","Mangwala Kimpende, Peter; Nguyen, Ngoc Thanh; Nguyen, Minh Thao; Vu, Quoc Trung; Van Meervelt, Luc","Crystal structure of (2<i>E</i>)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","4","424","426","10.1107/S2056989015005630","","","1.54178","CuKα","","0.0885","0.0555","","","0.1346","0.1556","","","","","","1.015","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240545","15.06","0.003","8.8231","0.0015","15.332","0.003","90","","93.344","0.003","90","","2033.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-9-ethyl-9<i>H</i>-carbazol-3-amine","","- C25 H20 Cl N3 O -","- C25 H20 Cl N3 O -","- C100 H80 Cl4 N12 O4 -","4","1","HB7384","Thirumurthy, Kannan; Thirunarayanan, Ganesamoorthy; Murugavel, S.","Crystal structure of (<i>E</i>)-<i>N</i>-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-9-ethyl-9<i>H</i>-carbazol-3-amine","Acta Crystallographica Section E","2015","71","4","421","423","10.1107/S2056989015005794","","","0.71073","MoKα","","0.1023","0.0511","","","0.1124","0.1326","","","","","","1.006","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240546","8.21","0.0004","11.4137","0.0006","15.1594","0.0008","90","","93.403","0.003","90","","1418.03","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl <i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)carbamate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","SJ5447","Danish, Muhammad; Tahir, Muhammad Nawaz; Anwar, Uzma; Raza, Muhammad Asam","Crystal structure of ethyl <i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)carbamate","Acta Crystallographica Section E","2015","71","4","o267","","10.1107/S2056989015006106","","","0.71073","MoKα","","0.057","0.0427","","","0.1173","0.1268","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240547","28.797","0.0006","8.3715","0.00015","15.6207","0.0003","90","","104.221","0.0007","90","","3650.35","0.12","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>S</i>-Octyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","","- C17 H26 N2 O S2 -","- C17 H26 N2 O S2 -","- C136 H208 N16 O8 S16 -","8","1","","Begum, M. S.; Zangrando, E.; Sheikh, M. C.; Miyatake, R.; Hossain, M. M.","Crystal structure of <i>S</i>-octyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2015","71","4","o265","o266","10.1107/S205698901500568X","","","1.54187","CuKα","","","0.0354","","","","0.0964","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240548","19.965","0.002","9.9788","0.0009","9.3366","0.0007","90","","90.34","0.005","90","","1860.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>-phenylhydrazine-1-carboxamide","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Annie, C. F.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of (<i>E</i>)-2-[(2-hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>-phenylhydrazine-1-carboxamide","Acta Crystallographica Section E","2015","71","4","427","430","10.1107/S2056989015005757","","","0.71073","MoKα","","0.1209","0.0486","","","0.1083","0.1427","","","","","","0.995","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240549","9.7244","0.0004","7.1157","0.0003","20.0896","0.0009","90","","94.404","0.003","90","","1386.01","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl <i>N</i>,<i>N</i>-dimethylcarbamodithioate","","- C13 H12 Cl N O2 S2 -","- C13 H12 Cl N O2 S2 -","- C52 H48 Cl4 N4 O8 S8 -","4","1","BG2550","Kavitha, H. D.; Vinduvahini, M.; Mahabhaleshwaraiah, N. M.; Kotresh, O.; Devarajegowda, H. C.","Crystal structure of (7-chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl <i>N</i>,<i>N</i>-dimethylcarbamodithioate","Acta Crystallographica Section E","2015","71","4","o263","o264","10.1107/S2056989015005678","","","0.71073","MoKα","","0.0973","0.0525","","","0.1259","0.1473","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240550","22.765","0.002","22.765","0.002","22.101","0.003","90","","90","","90","","11454","2","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","Heptakis(2,6-dimethylphenyl isocyanide-κ<i>C</i>)vanadium(I) iodide'","Heptakis(2,6-dimethylphenylisocyanido-κ<i>C</i>)vanadium(I) iodide","","- C63 H63 I N7 V -","- C63 H63 I N7 V -","- C504 H504 I8 N56 V8 -","8","1","WM5140","Minyaev, Mikhail E.; Ellis, John E.","Crystal structure of heptakis(2,6-dimethylphenyl isocyanide-κ<i>C</i>)vanadium(I) iodide","Acta Crystallographica Section E","2015","71","4","431","434","10.1107/S2056989015006015","","","0.71073","MoKα","","0.0443","0.0351","","","0.0753","0.0792","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240551","13.6502","0.0017","8.7616","0.0013","18.224","0.002","90","","92.234","0.011","90","","2177.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-9-ethyl-9<i>H</i>-carbazol-3-amine","","- C29 H24 N2 -","- C29 H24 N2 -","- C116 H96 N8 -","4","1","SU5095","Thirumurthy, Kannan; Thirunarayanan, Ganesamoorthy; Murugavel, S.","Crystal structure of (<i>E</i>)-<i>N</i>-(3,3-diphenylallylidene)-9-ethyl-9<i>H</i>-carbazol-3-amine","Acta Crystallographica Section E","2015","71","4","418","420","10.1107/S2056989015005770","","","0.71073","MoKα","","0.0948","0.0556","","","0.1241","0.15","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240552","14.2723","0.0013","18.3578","0.0017","8.271","0.0008","90","","90","","90","","2167.1","0.4","120","2","120","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","Ba5In4Sb6","Pentabarium tetraindium hexaantimony","","- Ba5 In4 Sb6 -","- Ba5 In4 Sb6 -","- Ba20 In16 Sb24 -","4","0.5","HB7382","Pan, Ming-Yan; Xia, Sheng-Qing; Tao, Xu-Tang","Crystal structure of Ba~5~In~4~Sb~6~","Acta Crystallographica Section E","2015","71","5","i4","","10.1107/S2056989015006933","","","0.71073","MoKα","","0.0432","0.0287","","","0.0504","0.0548","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240553","12.9474","0.0018","9.066","0.0013","19.583","0.003","90","","90","","90","","2298.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(5-methylsalicylidene)aniline","2-{(<i>E</i>)-[(2-Hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","HB7370","Shalini, Suresh; Girija, C. R.; Jotani, Mukesh M.; Sathish, C. D.; Venkatesha, T. V.","Crystal structure of 2-{(<i>E</i>)-[(2-hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","Acta Crystallographica Section E","2015","71","5","o288","","10.1107/S2056989015006374","","","0.71073","MoKα","","0.0805","0.0498","","","0.1113","0.1298","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240554","11.2629","0.0005","5.3552","0.0003","12.6538","0.0006","90","","90","","90","","763.21","0.07","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","IS5394","Ishii, Tomohiko; Sakane, Genta; Yoshihara, Akihide; Fukada, Kazuhiro; Senoo, Tatsuya","Crystal structure of β-<small>D</small>,<small>L</small>-psicose","Acta Crystallographica Section E","2015","71","5","o289","o290","10.1107/S2056989015006623","","","1.54187","CuKα","","0.0511","0.0475","","","0.1007","0.1017","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240555","6.6915","0.0002","7.6542","0.0004","29.1847","0.0009","90","","95.126","0.003","90","","1488.81","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')oxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')vanadium(V)","","- C16 H14 N O5 V -","- C16 H14 N O5 V -","- C64 H56 N4 O20 V4 -","4","1","","Parimala, Sowmianarayanan; Selvam, Parasuraman","Crystal structure of (2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')oxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')vanadium(V)","Acta Crystallographica Section E","2015","71","5","m104","m105","10.1107/S2056989015006477","","","0.71073","MoKα","","0.0503","0.0442","","","0.0986","0.1015","","","","","","1.219","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240556","9.005","0.008","23.8","0.02","7.4","0.007","90","","93.66","0.04","90","","1583","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","HB7393","Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa","Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate","Acta Crystallographica Section E","2015","71","5","o297","o298","10.1107/S2056989015006465","","","0.71073","MoKα","","0.1218","0.0502","","","0.1076","0.1373","","","","","","0.949","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240557","13.1654","0.0003","15.0483","0.0003","16.2559","0.0004","66.668","0.001","84.654","0.001","80.842","0.001","2917.9","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Tetrabutylammonium bromide‒\ 1,2-diiodo-3,4,5,6-tetrafluorobenzene‒dichloromethane (2/2/1)","Tetrabutylammonium bromide‒1,2-diiodo-3,4,5,6-tetrafluorobenzene‒dichloromethane (2/2/1)","","- C45 H74 Br2 Cl2 F8 I4 N2 -","- C45 H74 Br2 Cl2 F8 I4 N2 -","- C90 H148 Br4 Cl4 F16 I8 N4 -","2","1","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Crystal structure of tetrabutylammonium bromide‒1,2-diiodo-3,4,5,6-tetrafluorobenzene‒dichloromethane (2/2/1)","Acta Crystallographica Section E","2015","71","5","o286","o287","10.1107/S2056989015006593","","","0.71073","MoKα","","0.0322","0.0237","","","0.0533","0.0569","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240558","4.584","0.0002","9.1614","0.0003","17.3114","0.0005","90","","91.682","0.001","90","","726.69","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1<i>H</i>-Imidazol-4-yl)ethanaminium chloride","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C20 H40 Cl4 N12 -","4","1","LH5756","Belfilali, Imene; Yebdri, Siham; Louhibi, Samira; Boukli-hacene, Leila; Roisnel, Thierry","Crystal structure of 2-(1<i>H</i>-imidazol-4-yl)ethanaminium chloride","Acta Crystallographica Section E","2015","71","5","o301","o302","10.1107/S2056989015006866","","","0.71073","MoKα","","0.0313","0.0282","","","0.0737","0.0755","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240559","28.109","0.005","6.039","0.005","15.181","0.005","90","0.005","103.243","0.005","90","0.005","2508","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1-[(<i>Z</i>)-2-Phenylhydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","XU5845","Benosmane, Ali; Benaouida, Mohamed Amine; Mili, Assia; Bouchoul, Abdelkader; Merazig, Hocine","Crystal structure of 1-[(<i>Z</i>)-2-phenylhydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2015","71","5","o303","","10.1107/S2056989015006775","","","0.71073","MoKα","","0.1003","0.0571","","","0.1404","0.1692","","","","","","1.05","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240560","7.8004","0.0003","8.2439","0.0003","20.3222","0.0008","90","","92.91","0.002","90","","1305.15","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cobalt(II)","","- C24 H16 Co N14 S2 -","- C24 H16 Co N14 S2 -","- C48 H32 Co2 N28 S4 -","2","0.5","RZ5153","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of bis(azido-κ<i>N</i>)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section E","2015","71","5","452","454","10.1107/S2056989015006544","","","0.71073","MoKα","","0.0518","0.0346","","","0.08","0.0884","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240561","10.136","0.0004","10.3198","0.0004","18.8973","0.0007","89.079","0.002","74.955","0.002","89.406","0.002","1908.64","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","11-(2,3-Dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","2","HB7391","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","Acta Crystallographica Section E","2015","71","5","o293","o294","10.1107/S2056989015006386","","","0.71073","MoKα","","0.0606","0.0474","","","0.1161","0.1279","","","","","","1.022","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240562","8.8748","0.0005","11.2102","0.0006","16.8597","0.0008","90","","90","","90","","1677.34","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-Bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H23 Br Cl2 O -","- C16 H23 Br Cl2 O -","- C64 H92 Br4 Cl8 O4 -","4","1","RZ5154","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2015","71","5","o284","o285","10.1107/S205698901500657X","","","0.71073","MoKα","","0.0374","0.033","","","0.0848","0.0877","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240563","7.684","0.002","10.58","0.003","12.059","0.003","84.897","0.005","84.674","0.004","71.081","0.005","921.6","0.4","296","1","296","1","","","","","","","","5","P -1","-P 1","2","febuxostat","2-(3-Cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid‒acetic acid (1/1)","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C36 H40 N4 O10 S2 -","2","1","XU5836","Wu, Min; Hu, Xiu-Rong; Gu, Jian-Ming; Tang, Gu-Ping","Crystal structure of febuxostat‒acetic acid (1/1)","Acta Crystallographica Section E","2015","71","5","o295","o296","10.1107/S2056989015005708","","","0.71073","MoKα","","0.0512","0.0397","","","0.1027","0.1229","","","","","","1.002","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240564","11.3343","0.0005","15.4666","0.0007","16.487","0.0008","85.1124","0.0014","78.3773","0.0014","78.5231","0.0015","2771.3","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-Hydroxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate pentane 0.25-solvate","","- C30.25 H41 O8 -","- C30.25 H41 O8 -","- C121 H164 O32 -","4","2","IS5395","Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structures of (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-hydroxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate, its 13-epimer and 13-one derivative","Acta Crystallographica Section E","2015","71","5","466","472","10.1107/S2056989015006854","","","0.71073","MoKα","","0.0636","0.04","","","0.0869","0.0989","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240565","9.3612","0.0006","19.6336","0.0015","14.1965","0.0009","90","","101.762","0.002","90","","2554.4","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>,14<i>SR</i>)-13-Hydroxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","IS5395","Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structures of (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-hydroxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate, its 13-epimer and 13-one derivative","Acta Crystallographica Section E","2015","71","5","466","472","10.1107/S2056989015006854","","","0.71073","MoKα","","0.0733","0.0428","","","0.0978","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240566","13.2416","0.0008","13.1779","0.0008","15.2428","0.0008","90","","109.387","0.002","90","","2509","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,14<i>SR</i>)-7-Methoxymethoxy-11,15,18,18-tetramethyl-3,13-dioxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate","","- C29 H36 O8 -","- C29 H36 O8 -","- C116 H144 O32 -","4","1","IS5395","Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structures of (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-hydroxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate, its 13-epimer and 13-one derivative","Acta Crystallographica Section E","2015","71","5","466","472","10.1107/S2056989015006854","","","0.71073","MoKα","","0.0832","0.0439","","","0.0884","0.105","","","","","","0.962","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240567","4.7787","0.0001","25.4128","0.0007","18.9599","0.0005","90","","90.841","0.001","90","","2302.25","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate","","- C11 H10 N2 O4 S -","- C11 H10 N2 O4 S -","- C88 H80 N16 O32 S8 -","8","2","HG5436","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdu-Allah, Hajjaj H. M.; Albayati, Mustafa R.","Crystal structure of methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate","Acta Crystallographica Section E","2015","71","5","o282","o283","10.1107/S2056989015006416","","","1.54178","CuKα","","0.0408","0.0338","","","0.0844","0.0889","","","","","","1.036","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240568","5.327","0.005","9.079","0.004","9.718","0.006","90","","90","","90","","470","0.6","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","Sodium dirubidium trinitrate","","- N3 Na O9 Rb2 -","- N3 Na O9 Rb2 -","- N6 Na2 O18 Rb4 -","2","0.5","VN2090","Ksiksi, Nesrine; Driss, Mohamed; Hellali, Dalila; Guesmi, Abderrahmen; Zamali, Hmida","Le nitrate double NaRb~2~(NO~3~)~3~, composé intermédiaire du système binaire isobare NaNO~3~ + RbNO~3~: études thermiques et cristallographiques","Acta Crystallographica Section E","2015","71","5","455","458","10.1107/S2056989015006532","","","0.71073","MoKα","","0.0316","0.0243","","","","0.0618","","","","","","0.828","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240569","20.693","0.002","21.7954","0.0018","9.4649","0.0009","90","","90","","90","","4268.8","0.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-bromophenol (2/1)","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C160 H208 Br16 N32 O16 -","8","0.5","SJ5449","Rivera, Augusto; Uribe, Juan Manuel; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD)‒4-bromophenol (1/2)","Acta Crystallographica Section E","2015","71","5","463","465","10.1107/S2056989015006684","","","0.71073","MoKα","","0.0374","0.0319","","","0.0668","0.0685","","","","","","1.005","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240570","10.3283","0.0011","7.9868","0.0008","13.076","0.0014","90","","96.419","0.002","90","","1071.88","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-aqua-aqua(m~2~-4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olato)hemi-μ~4~-oxalato-barium(II)]","","- C12 H10 Ba2 N4 O20 -","- C12 H10 Ba2 N4 O20 -","- C24 H20 Ba4 N8 O40 -","2","0.5","CV5485","Alabada, Rusul; Kovalchukova, Olga; Polyakova, Irina; Strashnova, Svetlana; Sergienko, Vladimir","Crystal structure of poly[μ~2~-aqua-aqua(μ~2~-4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olato)hemi-μ~4~-oxalato-barium(II)]","Acta Crystallographica Section E","2015","71","5","459","462","10.1107/S2056989015006520","","","0.71073","MoKα","","0.0553","0.0376","","","0.0861","0.0925","","","","","","1.054","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240571","22.0438","0.0004","3.8343","0.0001","15.0141","0.0003","90","","92.427","0.001","90","","1267.89","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-aqua-{5-[(1<i>Z</i>)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,2,\ 3,4-tetrazol-1-ido-κ<i>N</i>^1^}sodium]","","- C10 H9 Cl N5 Na O2 -","- C10 H9 Cl N5 Na O2 -","- C40 H36 Cl4 N20 Na4 O8 -","4","1","TK5364","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Saghier, Ahmed M. M.; Albayati, Mustafa R.","Crystal structure of poly[di-μ-aqua-{5-[(1<i>Z</i>)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,2,3,4-tetrazol-1-ido-κ<i>N</i>^1^}sodium]","Acta Crystallographica Section E","2015","71","5","m102","m103","10.1107/S2056989015006325","","","1.54178","CuKα","","0.0382","0.032","","","0.0819","0.0862","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240572","7.9792","0.0002","8.746","0.0002","25.2064","0.0006","90","","90","","90","","1759.06","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C72 H68 Cl4 N8 O16 -","4","1","TK5363","Boukharsa, Youness; El Ammari, Lahcen; Taoufik, Jamal; Saadi, Mohamed; Ansar, M'hammed","Crystal structure of ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate","Acta Crystallographica Section E","2015","71","5","o291","o292","10.1107/S2056989015006301","","","0.71073","MoKα","","0.0771","0.0442","","","0.0989","0.1144","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240573","7.0771","0.0007","8.1586","0.0008","10.6491","0.001","76.381","0.011","81.672","0.011","79.809","0.011","584.72","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)","","- C18 H28 Mn N6 O2 S2 -","- C18 H28 Mn N6 O2 S2 -","- C18 H28 Mn N6 O2 S2 -","1","0.5","SJ5446","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2015","71","5","m126","","10.1107/S2056989015007318","","","0.71073","MoKα","","0.0556","0.0379","","","0.09","0.1003","","","","","","1.041","","","","has coordinates,has Fobs","136128","2020-10-21","18:00:00",""
"2240574","8.7618","0.0007","29.45","0.002","9.6569","0.0008","90","","114.732","0.001","90","","2263.3","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","I","<i>rac</i>-(3a'<i>R</i>,9a'<i>R</i>)-3a'-(Indol-3-yl)-1',2',3',3a',4',9a'-\ hexahydrospiro[cyclopentane-1,9'-pentaleno[1,2-<i>b</i>]indole] <i>p</i>-xylene hemisolvate","","- C30 H31 N2 -","- C30 H31 N2 -","- C120 H124 N8 -","4","1","SU5116","Noland, Wayland E.; Worth, Matthew A.; Schneerer, Andrew K.; Paal, Courtney L.; Tritch, Kenneth J.","Crystal structure of <i>rac</i>-(3a'<i>R</i>,9a'<i>R</i>)-3a'-(indol-3-yl)-1',2',3',3a',4',9a'-hexahydrospiro[cyclopentane-1,9'-pentaleno[1,2-<i>b</i>]indole] <i>p</i>-xylene hemisolvate","Acta Crystallographica Section E","2015","71","5","516","519","10.1107/S2056989015007422","","","0.71073","MoKα","","0.0621","0.0478","","","0.1164","0.1261","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","136370","2020-10-21","18:00:00",""
"2240575","9.5118","0.0003","10.5591","0.0003","14.5326","0.0005","109.846","0.004","93.618","0.003","104.815","0.004","1309.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>)bis(μ-4-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)zinc]","","- C26 H20 N6 O10 Zn -","- C26 H20 N6 O10 Zn -","- C52 H40 N12 O20 Zn2 -","2","1","SU5099","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer","Crystal structure of poly[bis(μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>)bis(μ-4-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)zinc]","Acta Crystallographica Section E","2015","71","5","479","482","10.1107/S2056989015006490","","","0.71073","MoKα","","0.0794","0.0727","","","0.2286","0.2377","","","","","","1.093","","","","has coordinates,has Fobs","136371","2020-10-21","18:00:00",""
"2240576","6.7067","0.0008","17.525","0.002","15.784","0.002","90","","101.152","0.006","90","","1820.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-4-[(2<i>E</i>)-1-Hydroxy-3-(naphthalen-2-yl)prop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","HB7418","Salim, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Shahid, Muhammad; Malik, Khizar Iqbal","Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-1-hydroxy-3-(naphthalen-2-yl)prop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o381","","10.1107/S205698901500866X","","","0.71073","MoKα","","0.1308","0.0556","","","0.1131","0.1402","","","","","","0.994","","","","has coordinates,has Fobs","136372","2020-10-21","18:00:00",""
"2240577","11.7106","0.0006","12.4083","0.0007","6.4285","0.0003","90","","113.959","0.002","90","","853.63","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dicobalt(II) iron(III) tris(orthophosphate)","","- Co2 Fe Na2 O12 P3 -","- Co2 Fe Na2 O12 P3 -","- Co8 Fe4 Na8 O48 P12 -","4","0.5","BR2248","Bouraima, Adam; Assani, Abderrazzak; Saadi, Mohamed; Makani, Thomas; El Ammari, Lahcen","Crystal structure of disodium dicobalt(II) iron(III) tris(orthophosphate) with an alluaudite-like structure","Acta Crystallographica Section E","2015","71","5","558","560","10.1107/S2056989015007926","","","0.71073","MoKα","","0.017","0.0162","","","0.046","0.0464","","","","","","1.103","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240578","5.5249","0.0003","15.8838","0.001","20.0257","0.0011","90","","96.853","0.003","90","","1744.83","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis[μ~3~-2-(2-nitrophenyl)acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>']disilver(I)]","","- C16 H12 Ag2 N2 O8 -","- C16 H12 Ag2 N2 O8 -","- C64 H48 Ag8 N8 O32 -","4","1","FK2086","Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Ahmad, Nazir","Crystal structure of <i>catena</i>-poly[bis[μ~3~-2-(2-nitrophenyl)acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>']disilver(I)]","Acta Crystallographica Section E","2015","71","5","m118","m119","10.1107/S2056989015007616","","","0.71073","MoKα","","0.045","0.0329","","","0.0618","0.0663","","","","","","1.097","","","","has coordinates,has Fobs","136374","2020-10-21","18:00:00",""
"2240579","8.1272","0.0012","18.718","0.003","13.046","0.002","90","","97.317","0.009","90","","1968.5","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate","","- C18 H15 B F4 N3 O3 Re -","- C18 H15 B F4 N3 O3 Re -","- C72 H60 B4 F16 N12 O12 Re4 -","4","1","SU5093","Ikotun, Adebomi A.; Coogan, Micheal P.; Owoseni, Abimbola A.; Bhuvanesh, Nattamai; Egharevba, Gabriel O.","Crystal structure of tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate","Acta Crystallographica Section E","2015","71","5","m106","m107","10.1107/S2056989015006180","","","1.54178","CuKα","","0.0267","0.0234","","","0.0476","0.0481","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240580","10.4772","0.0007","8.6834","0.0006","19.1123","0.0013","90","","92.49","0.002","90","","1737.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14-Methyl-11-(3-methylphenyl)-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","HB7360","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of 14-methyl-11-(3-methylphenyl)-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","Acta Crystallographica Section E","2015","71","6","o379","o380","10.1107/S2056989015008129","","","0.71073","MoKα","","0.0642","0.045","","","0.1143","0.1369","","","","","","1.089","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240581","7.6474","0.0003","9.9266","0.0004","10.2782","0.0004","78.68","0.002","84.2","0.003","71.556","0.002","725.13","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","","- C28 H24 Co N6 O8 -","- C28 H24 Co N6 O8 -","- C28 H24 Co N6 O8 -","1","0.5","WM5151","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Yılmaz Nayir, Gamze; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of <i>trans</i>-diaquabis(4-cyanobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2015","71","5","561","563","10.1107/S2056989015008270","","","0.71073","MoKα","","0.0461","0.0435","","","0.1164","0.1188","","","","","","1.072","","","","has coordinates,has Fobs","136377","2020-10-21","18:00:00",""
"2240582","14.4803","0.0015","11.4054","0.0011","13.0936","0.0013","90","","116.341","0.008","90","","1937.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Amino-4-nitrobenzyl acetate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C72 H80 N16 O32 -","8","1","PK2548","Quillian, Brandon; Hendricks, Jordan; Trivitayakhun, Matthew; Padgett, Clifford W.","Isolation of 3-amino-4-nitrobenzyl acetate: evidence of an undisclosed impurity in 5-amino-2-nitrobenzoic acid","Acta Crystallographica Section E","2015","71","6","606","608","10.1107/S2056989015008750","","","0.71075","MoKα","","0.0531","0.0367","","","0.0899","0.0982","","","","","","1.061","","","","has coordinates,has Fobs","136378","2020-10-21","18:00:00",""
"2240583","6.1045","0.0002","19.8512","0.0006","11.8396","0.0003","90","","98.069","0.003","90","","1420.54","0.07","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dibenzyldimethylsilane","","- C16 H20 Si -","- C16 H20 Si -","- C64 H80 Si4 -","4","1","FK2087","Knauer, Lena; Golz, Christopher; Kroesen, Ulrike; Koller, Stephan G.; Strohmann, Carsten","Crystal structure of dibenzyldimethylsilane","Acta Crystallographica Section E","2015","71","6","o391","o392","10.1107/S2056989015008713","","","0.71073","MoKα","","0.0422","0.0327","","","0.0865","0.0884","","","","","","1.063","","","","has coordinates,has Fobs","136379","2020-10-21","18:00:00",""
"2240584","8.9042","0.0005","9.3375","0.0004","15.5107","0.0007","90","","104.553","0.005","90","","1248.23","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromomethyl-2-chloro-6-(dibromomethyl)quinoline","","- C11 H7 Br3 Cl N -","- C11 H7 Br3 Cl N -","- C44 H28 Br12 Cl4 N4 -","4","1","","Gayathri, Kasirajan; Mohan, Palathurai S.; Howard, Judith A. K.; Sparkes, Hazel A.","Crystal structure of 3-bromomethyl-2-chloro-6-(dibromomethyl)quinoline","Acta Crystallographica Section E","2015","71","5","o354","o355","10.1107/S2056989015008002","","","0.71073","MoKα","","0.0621","0.0509","","","0.1387","0.143","","","","","","1.089","","","","has coordinates,has Fobs","136380","2020-10-21","18:00:00",""
"2240585","7.7564","0.0002","12.1142","0.0004","12.9355","0.0004","90","","90","","90","","1215.45","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitro-<i>N</i>-(2-nitrophenyl)benzamide","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C52 H36 N12 O20 -","4","1","HB7415","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","Crystal structure of 2-nitro-<i>N</i>-(2-nitrophenyl)benzamide","Acta Crystallographica Section E","2015","71","6","o389","o390","10.1107/S2056989015008695","","","1.5418","CuKα","","0.0355","0.0335","","","0.0861","0.088","","","","","","1.056","","","","has coordinates,has Fobs","136381","2020-10-21","18:00:00",""
"2240586","7.3185","0.0004","18.4177","0.0007","11.787","0.0005","90","","93.609","0.004","90","","1585.62","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 5-bromo-2-[(2-chloroquinolin-3-yl)methoxy]benzoate","","- C18 H13 Br Cl N O3 -","- C18 H13 Br Cl N O3 -","- C72 H52 Br4 Cl4 N4 O12 -","4","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","0.71073","Mo-Kα","","0.0495","0.0325","","","0.066","0.0714","","","","","","1.057","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240587","15.192","0.0003","11.98641","0.00019","19.0307","0.0003","90","","90","","90","","3465.44","0.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Methyl 5-bromo-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate","","- C19 H15 Br Cl N O3 -","- C19 H15 Br Cl N O3 -","- C152 H120 Br8 Cl8 N8 O24 -","8","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0383","0.0343","","","0.0902","0.0933","","","","","","1.056","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240588","13.586","0.0003","15.5857","0.0002","30.9389","0.0005","90","","90","","90","","6551.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C304 H256 Cl16 N16 O48 -","16","4","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0537","0.0455","","","0.1214","0.1287","","","","","","1.037","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240589","5.3165","0.0003","10.5098","0.0004","13.6201","0.0007","90","","98.527","0.005","90","","752.62","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-3-[(naphthalen-1-yloxy)methyl]quinoline","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C40 H28 Cl2 N2 O2 -","2","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0344","0.0332","","","0.0883","0.0897","","","","","","1.075","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240590","9.7866","0.0003","15.3336","0.0004","10.657","0.0003","90","","92.381","0.003","90","","1597.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{5-[(2-Chloroquinolin-3-yl)methoxy]-4-(hydroxymethyl)-6-methyl-pyridin-3-yl}methanol","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0489","0.0447","","","0.1222","0.127","","","","","","1.052","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240591","7.355","0.0003","32.982","0.001","12.8849","0.0004","90","","90.709","0.003","90","","3125.41","0.19","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Anagyrine perchlorate","","- C15 H21 Cl N2 O5 -","- C15 H21 Cl N2 O5 -","- C120 H168 Cl8 N16 O40 -","8","4","","Turgunov, Kambarali K.; Rakhimov, Shukhrat B.; Vinogradova, Valentina I.; Tashkhodjaev, Bakhodir","Crystal structure of anagyrine perchlorate","Acta Crystallographica Section E","2015","71","5","o343","o344","10.1107/S2056989015007781","","","1.54184","CuKα","","0.0896","0.0644","","","0.156","0.1892","","","","","","1.02","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240592","14.304","0.009","11.688","0.007","7.2857","0.0004","90","","90","","90","","1218.1","1.1","298","","298","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","Barium_perchlorate_anhydrate","Barium perchlorate anhydrate","","- Ba Cl2 O8 -","- Ba Cl2 O8 -","- Ba8 Cl16 O64 -","8","0.25","CV5487","Lee, Jeonghoo H.; Kang, Ji Hoon; Lim, Sung-Chul; Hong, Seung-Tae","Crystal structure of barium perchlorate anhydrate, Ba(ClO~4~)~2~, from laboratory X-ray powder data","Acta Crystallographica Section E","2015","71","6","588","591","10.1107/S2056989015008828","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240593","7.893","0.0006","16.8088","0.0013","20.9962","0.0016","90","","97.803","0.003","90","","2759.8","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3,4,5,6-Tetrafluoro-1,2-diiodobenzene‒tetraethyl ammonium chloride (2/1)","","- C20 H20 Cl F8 I4 N -","- C20 H20 Cl F8 I4 N -","- C80 H80 Cl4 F32 I16 N4 -","4","0.5","GW2151","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Crystal structure of tetraethylammonium chloride 3,4,5,6-tetrafluoro-1,2-diiodobenzene","Acta Crystallographica Section E","2015","71","5","o319","o320","10.1107/S205698901500732X","","","0.71073","MoKα","","0.024","0.0226","","","0.0686","0.0703","","","","","","1.021","","","","has coordinates,has Fobs","136385","2020-10-21","18:00:00",""
"2240594","5.4307","0.0019","8.131","0.003","36.149","0.01","90","","90","","90","","1596.2","0.9","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bis(4-methoxyphenyl) malonate","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","","Devarajegowda, H. C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.","Crystal structure of bis(4-methoxyphenyl) malonate","Acta Crystallographica Section E","2015","71","5","o330","o331","10.1107/S2056989015006891","","","0.71073","MoKα","","0.0699","0.0407","","","0.1341","0.1616","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","136386","2020-10-21","18:00:00",""
"2240595","11.8355","0.0007","18.6222","0.0011","9.011","0.0005","90","","106.502","0.002","90","","1904.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-methoxyphenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C84 H76 N4 O16 S4 -","4","1","TK5366","Bakhouch, Mohamed; Kerbal, Abdelali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","Acta Crystallographica Section E","2015","71","5","o366","o367","10.1107/S2056989015008154","","","0.71073","MoKα","","0.0602","0.0435","","","0.1146","0.1304","","","","","","1.062","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240596","7.999","0.0016","16.532","0.003","15.43","0.003","90","","101.36","0.03","90","","2000.5","0.7","260","2","260","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Bis[<i>trans</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate","","- C24 H48 Cl4 Cr2 N12 S4 Zn -","- C24 H48 Cl4 Cr2 N12 S4 Zn -","- C48 H96 Cl8 Cr4 N24 S8 Zn2 -","2","0.5","SJ5452","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of bis[<i>trans</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate from synchrotron data","Acta Crystallographica Section E","2015","71","5","540","543","10.1107/S205698901500746X","","","0.61","synchrotron","","0.0266","0.0251","","","0.0709","0.0716","","","","","","1.056","","","","has coordinates,has Fobs","136388","2020-10-21","18:00:00",""
"2240597","3.7792","0.0004","29.891","0.004","7.0139","0.0008","90","","94.036","0.01","90","","790.35","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II)","","- C14 H14 Cl2 Cu N2 O4 -","- C14 H14 Cl2 Cu N2 O4 -","- C28 H28 Cl4 Cu2 N4 O8 -","2","0.5","CQ2014","Ahadi, Elaheh; Hosseini-Monfared, Hassan; Mayer, Peter","Crystal structure of dichloridobis(methyl isonicotinate-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2015","71","5","m112","m113","10.1107/S205698901500729X","","","0.71073","MoKα","","0.0456","0.0362","","","0.0849","0.0914","","","","","","1.089","","","","has coordinates,has Fobs","136389","2020-10-21","18:00:00",""
"2240598","11.943","0.002","12.689","0.003","7.9764","0.0016","90","","109.3","0.03","90","","1140.8","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Chlorophenyl)benzothioamide","","- C13 H10 Cl N S -","- C13 H10 Cl N S -","- C52 H40 Cl4 N4 S4 -","4","1","SU5123","Zhao, Ganlin","Crystal structure of <i>N</i>-(4-chlorophenyl)benzothioamide","Acta Crystallographica Section E","2015","71","5","o353","","10.1107/S2056989015008075","","","0.71073","MoKα","","0.0342","0.0283","","","0.074","0.0771","","","","","","1.045","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240599","11.7131","0.0003","6.2423","0.0002","19.5376","0.0005","90","","95.312","0.002","90","","1422.39","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-<i>N</i>-[(4-methylpyridin-2-yl)carbamothioyl]benzamide","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","SU5119","Ameram, Nadiah; Adam, Farook; Fatihah, Nur Nadia; Al-Juaid, Salih","Crystal structure of 2-methyl-<i>N</i>-[(4-methylpyridin-2-yl)carbamothioyl]benzamide","Acta Crystallographica Section E","2015","71","5","o356","","10.1107/S2056989015007860","","","0.71073","MoKα","","0.048","0.0365","","","0.0857","0.0933","","","","","","1.05","","","","has coordinates,has Fobs","136391","2020-10-21","18:00:00",""
"2240600","10.733","0.0003","7.7568","0.0002","24.9436","0.0007","90","","98.485","0.001","90","","2053.92","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C92 H108 N4 O8 S4 -","4","1","SU5106","Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate, methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate and methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","6","574","577","10.1107/S2056989015008063","","","0.71073","MoKα","","0.047","0.0407","","","0.1055","0.1109","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240601","8.1882","0.0003","10.4987","0.0004","10.9594","0.0004","104.554","0.001","90.983","0.001","90.134","0.001","911.74","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","","- C21 H21 N O2 S -","- C21 H23 N O2 S -","- C42 H46 N2 O4 S2 -","2","1","SU5106","Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate, methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate and methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","6","574","577","10.1107/S2056989015008063","","","0.71073","MoKα","","0.0445","0.0383","","","0.1075","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","136394","2020-10-21","18:00:00",""
"2240602","11.2629","0.0011","13.2117","0.0011","24.041","0.003","90","","90","","90","","3577.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","SU5106","Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate, methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate and methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","6","574","577","10.1107/S2056989015008063","","","0.71073","MoKα","","0.0619","0.0457","","","0.0985","0.1108","","","","","","1.122","","","","has coordinates,has Fobs","136394","2020-10-21","18:00:00",""
"2240603","3.85166","0.00014","23.1757","0.0007","11.4227","0.0004","90","","99.278","0.004","90","","1006.31","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-2-Fluorobenzaldehyde (pyridin-2-yl)hydrazone","2-[(<i>E</i>)-2-(2-Fluorobenzylidene)hydrazin-1-yl]pyridine","","- C12 H10 F N3 -","- C12 H10 F N3 -","- C48 H40 F4 N12 -","4","1","HB7410","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Glidewell, Christopher","Crystal structure of (<i>E</i>)-2-fluorobenzaldehyde (pyridin-2-yl)hydrazone","Acta Crystallographica Section E","2015","71","5","o362","o363","10.1107/S2056989015007823","","","1.54184","CuKα","","0.0478","0.0435","","","0.1187","0.1219","","","","","","1.085","","","","has coordinates,has Fobs","136395","2020-10-21","18:00:00",""
"2240604","10.0272","0.0002","9.04914","0.00017","13.6496","0.0003","90","","106.433","0.002","90","","1187.94","0.04","119.95","0.1","119.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diisopropylaminium dichloroacetate","Bis(propan-2-yl)azanium 2,2-dichloroacetate","","- C8 H17 Cl2 N O2 -","- C8 H17 Cl2 N O2 -","- C32 H68 Cl8 N4 O8 -","4","1","GK2629","Sun, Wei; Shan, Guangzhi","Crystal structure of diisopropylaminium dichloroacetate","Acta Crystallographica Section E","2015","71","5","o361","","10.1107/S2056989015007586","","","1.54184","CuKα","","0.0428","0.0383","","","0.0881","0.0916","","","","","","1.034","","","","has coordinates","136396","2020-10-21","18:00:00",""
"2240605","7.3612","0.0003","17.854","0.0009","11.9465","0.0006","90","","105.697","0.002","90","","1511.54","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.","Crystal structure of 3-(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one","Acta Crystallographica Section E","2015","71","5","o332","","10.1107/S2056989015007082","","","0.71073","MoKα","","0.0877","0.0475","","","0.1277","0.1713","","","","","","1","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240606","8.4299","0.0005","14.6789","0.0008","8.8096","0.0005","90","","103.318","0.003","90","","1060.8","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatris(μ~4~-but-2-enedioato)(μ~2~-but-2-enedioic acid)dilanthanum(III)]","","- C8 H7 La O9 -","- C8 H7 La O9 -","- C32 H28 La4 O36 -","4","1","LH5759","Anana, Hayet; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Hydrothermal synthesis and crystal structure of a new lanthanum(III) coordination polymer with fumaric acid","Acta Crystallographica Section E","2015","71","5","m114","m115","10.1107/S2056989015007008","","","0.71073","MoKα","","0.0267","0.0196","","","0.0408","0.0433","","","","","","1.017","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240607","17.644","0.003","9.9627","0.0019","7.816","0.0015","90","","90","","90","","1373.9","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","calcium levulinate dihydrate","<i>catena</i>-Poly[[diaquacalcium]-bis(μ~2~-4-oxobutanoato)]","","- C10 H18 Ca O8 -","- C10 H18 Ca O8 -","- C40 H72 Ca4 O32 -","4","0.5","ZS2328","Amarasekara, Ananda S.; Sterling-Wells, Dominique T.; Ordonez, Carlos; Ohoueu, Marie-Josiane; Fonari, Marina S.","Crystal structure of a polymeric calcium levulinate dihydrate: <i>catena</i>-poly[[diaquacalcium]-bis(μ~2~-4-oxobutanoato)]","Acta Crystallographica Section E","2015","71","5","494","497","10.1107/S2056989015006696","","","0.71073","MoKα","","0.0313","0.0299","","","0.0817","0.0828","","","","","","1.157","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240608","38.654","0.008","11.787","0.003","8.774","0.002","90","","102.415","0.014","90","","3904.1","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ethyl 4-(2,4-dichlorophenyl)-2-methyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidine-3-carboxylate","","- C20 H16 Cl2 N2 O2 S -","- C20 H16 Cl2 N2 O2 S -","- C160 H128 Cl16 N16 O16 S8 -","8","1","SU5114","Sankar, T.; Naveen, S.; Lokanath, N. K.; Gunasekaran, K.","Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidine-3-carboxylate","Acta Crystallographica Section E","2015","71","5","o306","o307","10.1107/S2056989015007033","","","1.54178","CuKα","","0.0575","0.0465","","","0.1298","0.1392","","","","","","1.041","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240609","13.519","0.002","14.945","0.003","8.725","0.002","90","","92.858","0.003","90","","1760.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)","","- C10 H12 Cl6 Co N4 -","- C10 H12 Cl6 Co N4 -","- C40 H48 Cl24 Co4 N16 -","4","1","","Mghandef, Marwa; Boughzala, Habib","Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","5","555","557","10.1107/S2056989015007707","","","0.71073","MoKα","","0.1034","0.0412","","","0.0909","0.1091","","","","","","0.99","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240610","12.333","0.003","6.474","0.0013","12.519","0.003","90","","95.22","0.03","90","","995.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-Bis[(2-<i>tert</i>-butylphenyl)imino]ethane","2-<i>tert</i>-Butyl-<i>N</i>-{2-[(2-<i>tert</i>-butylphenyl)imino]ethylidene}aniline","","- C22 H28 N2 -","- C22 H28 N2 -","- C44 H56 N4 -","2","0.5","BG2548","Silvino, Alexandre C.; Torres, Juliana M.","Crystal structure of 1,2-bis[(2-<i>tert</i>-butylphenyl)imino]ethane","Acta Crystallographica Section E","2015","71","6","o385","o386","10.1107/S2056989015008610","","","0.71073","MoKα","","0.0756","0.049","","","","0.1192","","","","","","1.064","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240611","6.7336","0.0013","6.7821","0.0013","7.2349","0.0014","67.743","0.002","75.518","0.002","64.401","0.002","274.29","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Pent-2-enoic acid","","- C5 H8 O2 -","- C5 H8 O2 -","- C10 H16 O4 -","2","1","","Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian","Crystal structure of (<i>E</i>)-pent-2-enoic acid","Acta Crystallographica Section E","2015","71","5","o316","","10.1107/S2056989015007203","","","0.71073","MoKα","","0.046","0.037","","","0.1029","0.1126","","","","","","1.099","","","","has coordinates,has Fobs","136403","2020-10-21","18:00:00",""
"2240612","10.9358","0.0006","11.6121","0.0006","13.6833","0.0007","72.148","0.002","86.447","0.002","66.766","0.002","1516.36","0.14","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>)-13-Benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadeca-14,16-dien-10-yl benzoate","","- C36 H42 O8 -","- C36 H42 O8 -","- C72 H84 O16 -","2","1","IS5396","Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structure of (±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadeca-14,16-dien-10-yl benzoate","Acta Crystallographica Section E","2015","71","5","490","493","10.1107/S2056989015007136","","","0.71073","MoKα","","0.0688","0.0467","","","0.1084","0.1204","","","","","","1.039","","","","has coordinates,has Fobs","136404","2020-10-21","18:00:00",""
"2240613","5.0441","0.0002","18.2374","0.0007","8.8653","0.0003","90","","99.843","0.001","90","","803.53","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-<i>N</i>-(3-fluorophenyl)acetamide","","- C8 H7 Cl F N O -","- C8 H7 Cl F N O -","- C32 H28 Cl4 F4 N4 O4 -","4","1","HB7400","Sreenivasa, S.; Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.","Crystal structure of 2-chloro-<i>N</i>-(3-fluorophenyl)acetamide","Acta Crystallographica Section E","2015","71","5","o315","","10.1107/S2056989015007240","","","1.54178","CuKα","","0.0392","0.0391","","","0.1048","0.1049","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240614","11.1833","0.0002","8.4207","0.0002","17.2521","0.0004","90","","95.752","0.001","90","","1616.47","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate","","- C16 H19 N3 O3 S -","- C16 H19 N3 O3 S -","- C64 H76 N12 O12 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; Feitosa, Bárbara Regina Santos","Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate","Acta Crystallographica Section E","2015","71","5","o313","o314","10.1107/S2056989015007227","","","0.71073","MoKα","","0.0485","0.034","","","0.084","0.0905","","","","","","1.045","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240615","7.3376","0.0007","8.7987","0.0009","11.7068","0.0011","70.728","0.003","80.269","0.003","71.531","0.003","674.95","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate","","- C12 H15 Cl N2 O2 S -","- C12 H15 Cl N2 O2 S -","- C24 H30 Cl2 N4 O4 S2 -","2","1","TK5367","Hizam, Sara Maira M.; Yamin, Bohari M.","Crystal structure of 2-amino-3-ethyl-4,5-dihydro-1,3-thiazol-3-ium 3-chlorobenzoate","Acta Crystallographica Section E","2015","71","6","o378","","10.1107/S2056989015008385","","","0.71073","MoKα","","0.1289","0.063","","","0.1206","0.1416","","","","","","1.02","","","","has coordinates,has Fobs","136407","2020-10-21","18:00:00",""
"2240616","9.8784","0.001","15.4108","0.0015","11.2288","0.0011","90","","92.674","0.002","90","","1707.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","","Ezhilarasi, K. S.; Reuben Jonathan, D.; Vasanthi, R.; Revathi, B. K.; Usha, G.","Crystal structure of (<i>E</i>)-3-(3,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","5","o371","o372","10.1107/S2056989015008087","","","0.71073","MoKα","","0.1246","0.0677","","","0.1795","0.247","","","","","","1.077","","","","has coordinates,has Fobs","136408","2020-10-21","18:00:00",""
"2240617","24.3212","0.001","4.6512","0.0002","19.7411","0.0008","90","","109.178","0.0006","90","","2109.23","0.15","100.1","0.1","100.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(2,5-Dimethoxyphenyl)propionic acid","","- C11 H14 O4 -","- C11 H14 O4 -","- C88 H112 O32 -","8","1","QM2110","Bugenhagen, Bernhard; Al Jasem, Yosef; AlAzani, Mariam; Thiemann, Thies","Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid","Acta Crystallographica Section E","2015","71","5","o337","o338","10.1107/S2056989015007641","","","0.71073","MoKα","","0.0396","0.0362","","","0.1041","0.1074","","","","","","1.051","","","","has coordinates,has Fobs","136409","2020-10-21","18:00:00",""
"2240618","7.8158","0.0011","6.4651","0.0003","12.725","0.0018","90","","131.45","0.02","90","","481.95","0.18","110","2","110","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Ytterbium (III) Chloride Hexahydrate","Hexaaquadichloridoytterbium(III) chloride","","- Cl3 H12 O6 Yb -","- Cl3 H12 O6 Yb -","- Cl6 H24 O12 Yb2 -","2","0.5","BR2249","Knopf, Kevin M.; Crundwell, Guy; Westcott, Barry L.","Crystal structure of hexaaquadichloridoytterbium(III) chloride","Acta Crystallographica Section E","2015","71","6","i5","","10.1107/S2056989015008488","","","0.71073","MoKα","","0.0186","0.0178","","","0.0406","0.041","","","","","","1.117","","","","has coordinates,has Fobs","136410","2020-10-21","18:00:00",""
"2240619","7.4757","0.0009","8.0857","0.001","11.2846","0.0014","80.856","0.008","83.946","0.009","86.587","0.008","669.05","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","2-Methyl-1<i>H</i>-imidazol-3-ium aquatrichlorido(oxalato-κ^2^<i>O</i>,<i>O</i>')stannate(IV)","","- C6 H9 Cl3 N2 O5 Sn -","- C6 H9 Cl3 N2 O5 Sn -","- C12 H18 Cl6 N4 O10 Sn2 -","2","1","WM5136","Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Maris, Thierry","Crystal structure of 2-methyl-1<i>H</i>-imidazol-3-ium aquatrichlorido(oxalato-κ^2^<i>O</i>,<i>O</i>')stannate(IV)","Acta Crystallographica Section E","2015","71","5","520","522","10.1107/S2056989015005988","","","1.34139","GaKα","","0.1622","0.0615","","","0.1323","0.1495","","","","","","1.068","","","","has coordinates,has Fobs","136411","2020-10-21","18:00:00",""
"2240620","10.9124","0.0003","20.3261","0.0006","7.9722","0.0002","90","","105.965","0.002","90","","1700.08","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-\ (hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)\ (thiocyanato-κ<i>N</i>)cadmium]","","- C14 H14 Cd N4 O2 S2 -","- C14 H14 Cd N4 O2 S2 -","- C56 H56 Cd4 N16 O8 S8 -","4","1","WM5156","Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-(hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)(thiocyanato-κ<i>N</i>)cadmium]","Acta Crystallographica Section E","2015","71","6","m129","m130","10.1107/S2056989015008890","","","0.71073","MoKα","","0.0302","0.0247","","","0.0567","0.0584","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","136412","2020-10-21","18:00:00",""
"2240621","9.6648","0.0018","5.0917","0.001","14.92","0.003","90","","106.159","0.004","90","","705.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Hydroxy-2-nitrobenzaldehyde","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","SU5113","Bano, Huma; Yousuf, Sammer","Cystal structre of 5-hydroxy-2-nitrobenzaldehyde","Acta Crystallographica Section E","2015","71","5","o328","o329","10.1107/S205698901500701X","","","0.71073","MoKα","","0.0662","0.046","","","0.1052","0.1163","","","","","","1.041","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240622","6.3432","0.0006","9.5219","0.0009","12.4556","0.0015","90","","101.665","0.01","90","","736.77","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>tert</i>-butyldiphenylphosphine oxide","<i>tert</i>-Butyldiphenylphosphine oxide","","- C16 H19 O P -","- C16 H19 O P -","- C32 H38 O2 P2 -","2","1","","Agbeworvi, George; Assefa, Zerihun; Sykora, Richard E.; Taylor, Jared D.","Crystal structure of <i>tert</i>-butyldiphenylphosphine oxide","Acta Crystallographica Section E","2015","71","6","o400","","10.1107/S2056989015008919","","","0.71073","MoKα","","0.0648","0.0443","","","0.0789","0.0859","","","","","","1.05","","","","has coordinates,has Fobs","136414","2020-10-21","18:00:00",""
"2240623","11.738","0.0002","14.4453","0.0003","19.9515","0.0003","90","","90","","90","","3382.96","0.1","173","2","172.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one","","- C20 H16 Cl O2 P -","- C20 H16 Cl O2 P -","- C160 H128 Cl8 O16 P8 -","8","1","SU5111","Leach, Erin G.; Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of 1-(4-chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one and 1-(diphenylphosphoryl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2015","71","5","523","527","10.1107/S2056989015006994","","","1.54178","CuKα","","0.0379","0.0322","","","0.0856","0.0894","","","","","","1.039","","","","has coordinates,has Fobs","136415","2020-10-21","18:00:00",""
"2240624","8.3416","0.0002","10.5161","0.0002","10.279","0.0002","90","","112.212","0.001","90","","834.77","0.03","173","","173.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Diphenylphosphoryl)-3,3-dimethylbutan-2-one","","- C18 H21 O2 P -","- C18 H21 O2 P -","- C36 H42 O4 P2 -","2","1","SU5111","Leach, Erin G.; Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of 1-(4-chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one and 1-(diphenylphosphoryl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2015","71","5","523","527","10.1107/S2056989015006994","","","1.54178","CuKα","","0.0473","0.0417","","","0.1143","0.1179","","","","","","1.131","","","","has coordinates,has Fobs","136415","2020-10-21","18:00:00",""
"2240625","39.6126","0.0007","6.0497","0.0001","14.8673","0.0003","90","","98.889","0.001","90","","3520.07","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate","","- C16 H27 Br N2 O3 -","- C16 H27 Br N2 O3 -","- C128 H216 Br8 N16 O24 -","8","1","BG2553","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 4-bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate","Acta Crystallographica Section E","2015","71","5","o349","o350","10.1107/S2056989015007471","","","1.54178","CuKα","","0.0346","0.0309","","","0.0744","0.0769","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","136416","2020-10-21","18:00:00",""
"2240626","6.2648","0.0018","10.435","0.003","20.621","0.007","90","","90","","90","","1348.1","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C17 H12 O5 -","- C17 H12 O5 -","- C68 H48 O20 -","4","1","","Devarajegowda, H.C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.","Crystal structure of 4-methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2015","71","6","o374","o375","10.1107/S2056989015006970","","","0.71073","MoKα","","0.041","0.0354","","","0.0828","0.0851","","","","","","1.085","","","","has coordinates,has Fobs","136417","2020-10-21","18:00:00",""
"2240627","14.8504","0.0017","6.8243","0.0006","15.007","0.0018","90","","98.653","0.004","90","","1503.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","1","","Revathi, B. K.; Reuben Jonathan, D.; Sathya, S.; Prathebha, K.; Usha, G.","Crystal structure of 4-methyl-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate","Acta Crystallographica Section E","2015","71","5","o359","o360","10.1107/S2056989015007653","","","0.71073","MoKα","","0.1014","0.0557","","","0.1541","0.2028","","","","","","1.107","","","","has coordinates,has Fobs","136418","2020-10-21","18:00:00",""
"2240628","29.122","0.003","8.4029","0.001","11.358","0.002","90","","90","","90","","2779.4","0.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-poly[[[bis(1,4-diazoniabicyclo[2.2.2]octane) [tetraachloridoantimonate(III)]-μ-chlorido-[tetrachloridoantimonate(III)]-μ-chlorido]] monohydrate]","","- C12 H30 Cl10 N4 O Sb2 -","- C12 H30 Cl10 N4 O Sb2 -","- C48 H120 Cl40 N16 O4 Sb8 -","4","1","","Ben Rhaiem, Tarek; Boughzala, Habib","Crystal structure of a new hybrid antimony‒halide-based compound for possible non-linear optical applications","Acta Crystallographica Section E","2015","71","5","498","501","10.1107/S2056989015007379","","","0.71073","MoKα","","0.0379","0.0256","","","0.0642","0.0701","","","","","","1.092","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240629","5.6519","0.0003","7.5809","0.0004","10.31","0.0006","75.467","0.002","88.12","0.002","69.487","0.002","399.76","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium hydrogen oxalate hemi(oxalic acid)","","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","1","0.5","SU5097","Diallo, Waly; Gueye, Ndongo; Crochet, Aurélien; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid)","Acta Crystallographica Section E","2015","71","5","473","475","10.1107/S2056989015005964","","","0.71073","MoKα","","0.0322","0.0283","","","0.0717","0.0751","","","","","","1.067","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240630","11.3207","0.0006","11.4044","0.0006","15.2839","0.0009","70.567","0.003","70.925","0.003","62.621","0.002","1616.4","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(4<i>Z</i>)-4-[(2<i>E</i>)-3-(4-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C76 H60 Cl4 N8 O8 -","4","2","GK2632","Shahid, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Salim, Muhammad; Malik, Khizar Iqbal","Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o393","o394","10.1107/S205698901500883X","","","0.71073","MoKα","","0.0817","0.0502","","","0.1309","0.155","","","","","","1.023","","","","has coordinates,has Fobs","136421","2020-10-21","18:00:00",""
"2240631","11.1603","0.0007","17.3367","0.0011","11.2345","0.0007","90","","116.081","0.001","90","","1952.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua(μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)(μ~2~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)bis(μ~2~-3,3',5,5'-tetramethyl-4,4'-bipyrazole-κ^2^<i>N</i>:<i>N</i>')dinickel(II)]","","- C18 H20 N4 Ni O5 -","- C18 H20 N4 Ni O5 -","- C72 H80 N16 Ni4 O20 -","4","1","WM5150","Wu, Chao; Cao, Peng","Crystal structure of poly[diaqua(μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)(μ~2~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)bis(μ~2~-3,3',5,5'-tetramethyl-4,4'-bipyrazole-κ^2^<i>N</i>:<i>N</i>')dinickel(II)]","Acta Crystallographica Section E","2015","71","6","m127","m128","10.1107/S2056989015008415","","","0.71073","MoKα","","0.0433","0.0354","","","0.0928","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240632","19.221","0.003","19.221","","10.5812","0.0018","90","","90","","90","","3909.2","0.9","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","3-Methyl-5-trimethylsilyl-1<i>H</i>-pyrazole","","- C7 H14 N2 Si -","- C7 H14 N2 Si -","- C112 H224 N32 Si16 -","16","1","ZL2621","Ferrence, Gregory M.; Kocher, Joshua L.","Crystal structure of 3-methyl-5-trimethylsilyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2015","71","6","o397","","10.1107/S2056989015008567","","","0.71073","MoKα","","0.0646","0.0461","","","","0.1211","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2240633","27.1156","0.0009","7.1401","0.0003","13.0804","0.0005","90","","90","","90","","2532.47","0.17","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-3-(dimethoxymethyl)-6-methoxyquinoline","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","2","HG5440","Chandrika, Nanjappa; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structure of 2-chloro-3-(dimethoxymethyl)-6-methoxyquinoline","Acta Crystallographica Section E","2015","71","5","o364","o365","10.1107/S205698901500804X","","","0.71073","MoKα","","0.0489","0.0399","","","0.0919","0.0973","","","","","","1.077","","","","has coordinates,has Fobs","136424","2020-10-21","18:00:00",""
"2240634","7.356","0.0015","12.107","0.002","12.723","0.003","90","","90","","90","","1133.1","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Bromo-2,3,5,6-tetrafluorobiphenyl-4-carbonitrile","","- C13 H4 Br F4 N -","- C13 H4 Br F4 N -","- C52 H16 Br4 F16 N4 -","4","1","","Heckel, Ricarda; Hulliger, Jürg; Schwarzer, Anke; Weber, Edwin","Crystal structure of 4'-bromo-2,3,5,6-tetrafluorobiphenyl-4-carbonitrile","Acta Crystallographica Section E","2015","71","5","o347","o348","10.1107/S2056989015007847","","","0.71073","MoKα","","0.0341","0.0277","","","0.0505","0.0521","","","","","","0.987","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240635","6.9679","0.0009","9.2425","0.0012","11.799","0.001","100.242","0.009","99.698","0.009","107.127","0.012","694.62","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","1-Nitro-4-(trimethylsilylethynyl)naphthalene","","- C15 H15 N O2 Si -","- C15 H15 N O2 Si -","- C30 H30 N2 O4 Si2 -","2","1","XU5846","Du, Jun; Moxey, Graeme J.","Crystal structure of 1-nitro-4-(trimethylsilylethynyl)naphthalene","Acta Crystallographica Section E","2015","71","5","o311","o312","10.1107/S2056989015007173","","","0.71073","MoKα","","0.055","0.0439","","","0.1078","0.1139","","","","","","1.069","","","","has coordinates,has Fobs","136427","2020-10-21","18:00:00",""
"2240636","54.4","0.005","4.7465","0.0004","10.7022","0.0009","90","","96.318","0.002","90","","2746.6","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-{(Dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","","- C34 H40 N2 O2 -","- C34 H40 N2 O2 -","- C136 H160 N8 O8 -","4","0.5","","Ouari, Kamel; Merzougui, Moufida; Bendia, Sabrina; Bailly, Corinne","Crystal structure of 1,1'-{(dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","Acta Crystallographica Section E","2015","71","5","o351","o352","10.1107/S2056989015007938","","","0.71073","MoKα","","0.0757","0.0483","","","0.1113","0.1246","","","","","","1.038","","","","has coordinates,has Fobs","136428","2020-10-21","18:00:00",""
"2240637","23.638","0.0018","13.6273","0.001","18.1817","0.0013","90","","108.702","0.001","90","","5547.5","0.7","173","2","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate","","- C25 H33 Br Cl3 O2 P -","- C25 H33 Br Cl3 O2 P -","- C200 H264 Br8 Cl24 O16 P8 -","8","1","PK2549","Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate","Acta Crystallographica Section E","2015","71","5","o339","o340","10.1107/S205698901500763X","","","0.71073","MoKα","","0.0849","0.0643","","","0.1879","0.2062","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","136429","2020-10-21","18:00:00",""
"2240638","13.4924","0.0011","10.2791","0.0008","12.6977","0.001","90","","114.691","0.001","90","","1600","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Peroxido-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[(nitrato-κ<i>O</i>)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')dioxidouranium(VI)]","","- C30 H22 N8 O12 U2 -","- C30 H22 N8 O12 U2 -","- C60 H44 N16 O24 U4 -","2","0.5","CQ2015","Kawasaki, Takeshi; Kitazawa, Takafumi","Crystal structure of μ-peroxido-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[(nitrato-κ<i>O</i>)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')dioxidouranium(VI)]","Acta Crystallographica Section E","2015","71","5","m122","m123","10.1107/S2056989015007987","","","0.71073","MoKα","","0.0418","0.0295","","","0.0553","0.0579","","","","","","0.889","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240639","14.8343","0.0011","8.4771","0.0006","21.8112","0.0017","90","","91.78","0.007","90","","2741.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(9-fluorenylmethyloxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-α-<i>L</i>-iodopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C118 H112 Cl2 N6 O32 -","2","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","1.54178","CuKα","","0.1479","0.088","","","0.2135","0.28","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240640","14.8595","0.0017","8.3873","0.0006","22.0138","0.0018","90","","90.939","0.01","90","","2743.2","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(9-fluorenylmethyloxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyacetal-α-<i>L</i>-iodopyranoside","","- C60 H59 N3 O17 -","- C60 H59 N3 O17 -","- C120 H118 N6 O34 -","2","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","1.54184","CuKα","","0.1218","0.0834","","","0.1802","0.2011","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240641","38.3346","0.0013","8.0744","0.0003","16.1659","0.0006","90","","91.222","0.002","90","","5002.7","0.3","118","2","118","2","","","","","","","","4","C 1 2 1","C 2y","5","Benzoic acid 4-benzyloxy-6-(2-methoxyacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-\ 3-yl ester; acetic acid 5-azido-3,4-bis-benzyloxy-6-methoxy -tetrahydro-pyran-2-ylmethyl ester 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy- α-<i>D</i>-glucopyranosyl]-2-<i>O </i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D </i>-glucopyranoside","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D</i>-glucopyranoside","","- C52 H55 N3 O15 -","- C52 H55 N3 O15 -","- C208 H220 N12 O60 -","4","1","SJ5456","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.","Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides","Acta Crystallographica Section E","2015","71","6","582","587","10.1107/S2056989015008518","","","0.71073","MoKα","","0.0525","0.0484","","","0.1254","0.1285","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240642","32.5385","0.0009","6.10513","0.00015","15.8615","0.0003","90","","90","","90","","3150.92","0.13","150.01","0.1","150","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","(<i>E</i>)-1-(4-<i>tert</i>-Butylphenyl)-2-(4-iodophenyl)ethene","","- C18 H19 I -","- C18 H19 I -","- C144 H152 I8 -","8","2","","Chen, Zhiwei; Moxey, Graeme J.","Crystal structure of (<i>E</i>)-1-(4-<i>tert</i>-butylphenyl)-2-(4-iodophenyl)ethene","Acta Crystallographica Section E","2015","71","5","o309","o310","10.1107/S2056989015007185","","","1.54184","CuKα","","0.0526","0.0495","","","0.1298","0.1326","","","","","","1.037","","","","has coordinates,has Fobs","136432","2020-10-21","18:00:00",""
"2240643","4.9614","0.0001","30.7302","0.0006","11.0726","0.0002","90","","93.268","0.001","90","","1685.44","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-Methylphenyl)-3-[(<i>E</i>)-2-(4-methylphenyl)ethenyl]cyclohex-2-en-1-one","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","LR2135","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 5-(4-methylphenyl)-3-[(<i>E</i>)-2-(4-methylphenyl)ethenyl]cyclohex-2-en-1-one","Acta Crystallographica Section E","2015","71","6","o372","o373","10.1107/S2056989015008324","","","1.54178","CuKα","","0.0663","0.0498","","","0.1206","0.131","","","","","","1.05","","","","has coordinates,has Fobs","136433","2020-10-21","18:00:00",""
"2240644","17.0041","0.0008","7.1161","0.0006","14.4143","0.0007","90","","112.956","0.006","90","","1606.04","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(Diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II)","","- C10 H21 Cl4 Cu N3 -","- C10 H21 Cl4 Cu N3 -","- C40 H84 Cl16 Cu4 N12 -","4","1","FF2135","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","Crystal structure of 1-[2-(diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II)","Acta Crystallographica Section E","2015","71","5","m110","m111","10.1107/S2056989015006799","","","0.71073","MoKα","","0.052","0.0316","","","0.0523","0.0555","","","","","","0.977","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240645","12.272","0.01","10.629","0.008","13.174","0.01","90","","113.644","0.01","90","","1574","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-Bis(methoxycarbonyl)-2,5-bis(diphenyloxyphosphoryloxy)cyclohexa-1,4-diene","Dimethyl 2,5-bis[(diphenoxyphosphoryl)oxy]cyclohexa-1,4-diene-1,4-dicarboxylate","","- C34 H30 O12 P2 -","- C34 H30 O12 P2 -","- C68 H60 O24 P4 -","2","0.5","","Gao, Lei; Ma, Zongshan; Yan, Hong","Crystal structure of dimethyl 2,5-bis[(diphenoxyphosphoryl)oxy]cyclohexa-1,4-diene-1,4-dicarboxylate","Acta Crystallographica Section E","2015","71","6","o401","o402","10.1107/S2056989015008658","","","0.71073","MoKα","","0.0606","0.0445","","","0.0957","0.0991","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240646","22.051","0.004","7.8861","0.0016","17.837","0.004","90","","102.65","0.03","90","","3026.5","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate]","","- C24 H34 N8 O14 Zn -","- C24 H34 N8 O14 Zn -","- C96 H136 N32 O56 Zn4 -","4","0.5","","Hou, Chen; Gan, Hong-Mei; Liu, Jia-Cheng","Crystal structure of <i>catena</i>-poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate]","Acta Crystallographica Section E","2015","71","5","m120","m121","10.1107/S2056989015007719","","","0.71073","MoKα","","0.0691","0.0551","","","0.1313","0.1436","","","","","","1.054","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240647","31.774","0.002","4.6969","0.0003","9.8939","0.0007","90","","91.224","0.002","90","","1476.22","0.17","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DL-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","SU5129","Görbitz, Carl Henrik; Paulsen, Jan Christian; Borgersen, Jon","Redetermined crystal structure of β-<small>DL</small>-methionine at 320K","Acta Crystallographica Section E","2015","71","6","o398","o399","10.1107/S2056989015008749","","","0.71073","MoKα","","0.0666","0.0456","","","0.1063","0.1159","","","","","","1.032","","","","has coordinates,has Fobs","136437","2020-10-21","18:00:00",""
"2240648","37.166","0.002","6.0292","0.0002","7.5814","0.0004","90","","93.452","0.007","90","","1695.77","0.14","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(E,E)-thiene-2,5-diylbis[N-(4-methylphenyl)methanimine]","<i>N</i>,<i>N</i>'-[(Thiophene-2,5-diyl)bis(methanylylidene)]di-<i>p</i>-toluidine","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C80 H72 N8 S4 -","4","0.5","LH5761","Boyle, Raina; Crundwell, Guy; Glagovich, Neil M.","Crystal structure of <i>N</i>,<i>N</i>'-[(thiophene-2,5-diyl)bis(methanylylidene)]di-<i>p</i>-toluidine","Acta Crystallographica Section E","2015","71","6","o403","","10.1107/S205698901500849X","","","0.71073","MoKα","","0.0662","0.0482","","","0.1295","0.1445","","","","","","1.032","","","","has coordinates,has Fobs","136438","2020-10-21","18:00:00",""
"2240649","3.7978","0.0002","3.7978","0.0002","3.7978","0.0002","90","","90","","90","","54.777","0.005","296","","296","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Strontium germanium trioxide","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, Akihiko; Arima, Hiroshi; Ohtaka, Osamu; Fujiwara, Keiko; Yoshiasa, Akira","Crystal structure of SrGeO~3~ in the high-pressure perovskite-type phase","Acta Crystallographica Section E","2015","71","5","502","504","10.1107/S2056989015007264","","","0.71069","MoKα","","","0.0192","","","","0.02","","","","","","1.95","","","","has coordinates,has Fobs","136439","2020-10-21","18:00:00",""
"2240650","6.6797","0.0004","8.7345","0.0005","23.3973","0.0014","96.579","0.005","93.734","0.005","95.57","0.005","1345.68","0.14","173","","173","","","","","","","","","5","P -1","-P 1","2","[2-(Triethylammonio)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]amide tetrahydrate","[2-(Triethylazaniumyl)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]azanide tetrahydrate","","- C23 H50 N2 O6 S -","- C23 H50 N2 O6 S -","- C46 H100 N4 O12 S2 -","2","1","SJ5448","Golz, C.; Strohmann, C.","Crystal structure of [2-(triethylammonio)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]amide tetrahydrate","Acta Crystallographica Section E","2015","71","5","564","566","10.1107/S2056989015008105","","","0.71073","MoKα","","0.0788","0.0487","","","0.0934","0.102","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","136440","2020-10-21","18:00:00",""
"2240651","10.6386","0.0015","7.3948","0.001","30.554","0.004","90","","90","","90","","2403.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate","","- C32 H24 Fe N2 O4 -","- C32 H24 Fe N2 O4 -","- C128 H96 Fe4 N8 O16 -","4","0.5","BG2552","Pérez, Wanda I.; Rheingold, Arnold L.; Meléndez, Enrique","Crystal structure of bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate: a potential chemotherapeutic drug","Acta Crystallographica Section E","2015","71","5","536","539","10.1107/S2056989015007446","","","0.71073","MoKα","","0.0651","0.0441","","","0.1049","0.1166","","","","","","1.015","","","","has coordinates,has Fobs","136441","2020-10-21","18:00:00",""
"2240652","6.8556","0.0003","6.9894","0.0003","7.4967","0.0003","79.477","0.001","80.62","0.001","63.654","0.001","315.12","0.02","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Hex-2-enoic acid","","- C6 H10 O2 -","- C6 H10 O2 -","- C12 H20 O4 -","2","1","","Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian","Crystal structure of (<i>E</i>)-hex-2-enoic acid","Acta Crystallographica Section E","2015","71","5","o323","","10.1107/S2056989015007380","","","0.71073","MoKα","","0.0358","0.0335","","","0.0899","0.0919","","","","","","1.093","","","","has coordinates,has Fobs","136442","2020-10-21","18:00:00",""
"2240653","3.7978","0.0004","10.5567","0.0006","18.0366","0.001","90","","90.208","0.007","90","","723.12","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromo-2-hydroxybenzoic acid","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","1","WM5143","Laus, Gerhard; Kahlenberg, Volker; Gelbrich, Thomas; Nerdinger, Sven; Schottenberger, Herwig","Crystal structure of 3-bromo-2-hydroxybenzoic acid","Acta Crystallographica Section E","2015","71","5","531","535","10.1107/S2056989015007331","","","0.71073","MoKα","","0.0538","0.0403","","","0.0917","0.0998","","","","","","1.075","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240654","25.0636","0.0013","5.3725","0.0003","13.0124","0.0007","90","","111.717","0.003","90","","1627.81","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Formylpyridine semicarbazone hemihydrate","(<i>E</i>)-1-(Pyridin-4-ylmethylene)semicarbazide hemihydrate","","- C7 H9 N4 O1.5 -","- C7 H9 N4 O1.5 -","- C56 H72 N32 O12 -","8","1","LR2134","Inoue, Mayara Hissami; Back, Davi F.; Burrow, Robert A.; Nunes, Fábio Souza","Crystal structure of 4-formylpyridine semicarbazone hemihydrate","Acta Crystallographica Section E","2015","71","5","o317","o318","10.1107/S2056989015007276","","","0.71073","MoKα","","0.0419","0.0342","","","0.0884","0.094","","","","","","1.038","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240655","9.10888","0.00003","9.108879","","9.108879","","90","","90","","90","","755.779","0.002","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","sodium molybdate","Disodium molybdenum(VI) oxide","","- Mo Na2 O4 -","- Mo Na2 O4 -","- Mo8 Na16 O32 -","8","0.0416667","WM5152","Fortes, A. Dominic","Crystal structures of spinel-type Na~2~MoO~4~ and Na~2~WO~4~ revisited using neutron powder diffraction","Acta Crystallographica Section E","2015","71","6","592","596","10.1107/S2056989015008774","powder diffraction","","","neutron","","","","","","","","","","1.96","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2240656","9.12974","0.00004","9.12974","","9.12974","","90","","90","","90","","760.983","0.003","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","sodium tungstate","Disodium tungsten(VI) oxide","","- Na2 O4 W -","- Na2 O4 W -","- Na16 O32 W8 -","8","0.0416667","WM5152","Fortes, A. Dominic","Crystal structures of spinel-type Na~2~MoO~4~ and Na~2~WO~4~ revisited using neutron powder diffraction","Acta Crystallographica Section E","2015","71","6","592","596","10.1107/S2056989015008774","powder diffraction","","","neutron","","","","","","","","","","1.85","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2240657","6.7137","0.0003","14.0263","0.0005","16.6757","0.0008","113.889","0.004","94.515","0.004","90.976","0.004","1429.28","0.12","170","","170","","","","","","","","","4","P -1","-P 1","2","","5-{3-[2,6-Dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-<i>N</i>-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate","","- C58 H86 N8 O11 -","- C58 H86 N8 O11 -","- C58 H86 N8 O11 -","1","0.5","LH5758","Salorinne, K.; Lahtinen, T.","Crystal structure of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl}-<i>N</i>-(11-hydroxyundecyl)isoxazole-3-carboxamide hemihydrate","Acta Crystallographica Section E","2015","71","5","505","508","10.1107/S2056989015007367","","","0.71073","MoKα","","0.0787","0.0525","","","0.1278","0.1476","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","136446","2020-10-21","18:00:00",""
"2240658","8.8751","0.0013","19.555","0.002","6.8688","0.0009","90","","106.298","0.006","90","","1144.2","0.3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,5-Dimethoxy-2-nitrobenzyl acetate","4,5-Dimethoxy-2-nitrobenzyl acetate","","- C11 H13 N O6 -","- C11 H13 N O6 -","- C44 H52 N4 O24 -","4","1","IS5391","Kasuga, Noriko Chikaraishi; Saito, Yusuke; Sato, Hiroyasu; Yamaguchi, Kazuo","Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate","Acta Crystallographica Section E","2015","71","5","483","486","10.1107/S2056989015006714","","","0.71069","MoKα","","0.0608","0.0509","","","0.1269","0.1321","","","","","","1.11","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240659","10.476","0.003","10.714","0.003","10.266","0.003","90","","105.077","0.01","90","","1112.6","0.6","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,5-Dimethoxy-2-nitrobenzyl acetate","4,5-Dimethoxy-2-nitrobenzyl Acetate","","- C11 H13 N O6 -","- C11 H13 N O6 -","- C44 H52 N4 O24 -","4","1","IS5391","Kasuga, Noriko Chikaraishi; Saito, Yusuke; Sato, Hiroyasu; Yamaguchi, Kazuo","Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate","Acta Crystallographica Section E","2015","71","5","483","486","10.1107/S2056989015006714","","","0.71069","MoKα","","0.0554","0.0489","","","0.1232","0.1297","","","","","","1.132","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240660","14.104","0.009","12.692","0.008","7.34","0.005","90","","100.065","0.013","90","","1293.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Nitrophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 N2 O5 -","- C16 H10 N2 O5 -","- C64 H40 N8 O20 -","4","1","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.1077","0.0766","","","0.1381","0.1525","","","","","","1.158","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240661","9.6903","0.0002","5.5303","0.0004","24.9335","0.0018","90","","99.162","0.005","90","","1319.15","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Methoxyphenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.0647","0.0411","","","0.0992","0.1083","","","","","","0.982","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240662","6.7435","0.0001","7.3012","0.0001","28.074","0.0009","85.309","0.004","89.164","0.004","70.645","0.003","1299.64","0.06","120","2","120","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Bromophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","2","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.0467","0.0442","","","0.1141","0.116","","","","","","1.083","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240663","14.1629","0.001","6.772","0.005","15.1898","0.0011","90","","116.607","0.011","90","","1302.6","1","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxyphenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.0425","0.0369","","","0.0974","0.1026","","","","","","0.915","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240664","6.6106","0.0005","7.0143","0.0005","15.3749","0.0011","91.444","0.006","95.238","0.006","112.551","0.008","654.25","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Methylphenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.0473","0.043","","","0.1192","0.1233","","","","","","1.075","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240665","7.0756","0.0005","12.5125","0.0009","14.2944","0.001","86.267","0.008","83.839","0.008","84.588","0.008","1250.68","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(4-Hydroxyphenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","2","LH5762","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda","New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives","Acta Crystallographica Section E","2015","71","5","547","554","10.1107/S2056989015007859","","","0.71075","MoKα","","0.1018","0.0852","","","0.2429","0.2516","","","","","","1.178","","","","has coordinates,has Fobs","136448","2020-10-21","18:00:00",""
"2240666","11.9302","0.0003","18.339","0.0005","26.0144","0.0006","90","","103.068","0.002","90","","5544.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I) chloride tetrahydrofuran monosolvate","","- C58 H80 Ag Cl N4 O -","- C58 H80 Ag Cl N4 O -","- C232 H320 Ag4 Cl4 N16 O4 -","4","1","","Sänger, Inge; Lerner, Hans-Wolfram; Bolte, Michael","Crystal structure of bis[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I) chloride tetrahydrofuran monosolvate","Acta Crystallographica Section E","2015","71","5","544","546","10.1107/S2056989015007525","","","0.71073","MoKα","","0.0561","0.0479","","","0.1147","0.1208","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","136449","2020-10-21","18:00:00",""
"2240667","7.2514","0.0001","10.6647","0.0002","11.5619","0.0002","100.02","0.001","104.372","0.001","92.59","0.001","849.27","0.03","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide","","- C19 H14 N6 O -","- C19 H14 N6 O -","- C38 H28 N12 O2 -","2","1","HB7404","Setifi, Zouaoui; Valkonen, Arto; Fernandes, Manuel A.; Nummelin, Sami; Boughzala, Habib; Setifi, Fatima; Glidewell, Christopher","Crystal structures of 2,2'-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide","Acta Crystallographica Section E","2015","71","5","509","515","10.1107/S2056989015007306","","","0.71073","MoKα","","0.0536","0.0419","","","0.0966","0.1029","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","136450","2020-10-21","18:00:00",""
"2240668","13.4195","0.0008","16.1801","0.0008","12.9058","0.0009","90","","116.721","0.003","90","","2503","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide","","- C30 H18 N10 -","- C30 H18 N10 -","- C120 H72 N40 -","4","1","HB7404","Setifi, Zouaoui; Valkonen, Arto; Fernandes, Manuel A.; Nummelin, Sami; Boughzala, Habib; Setifi, Fatima; Glidewell, Christopher","Crystal structures of 2,2'-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide","Acta Crystallographica Section E","2015","71","5","509","515","10.1107/S2056989015007306","","","0.71073","MoKα","","0.1665","0.0669","","","0.1552","0.1831","","","","","","0.982","","","","has coordinates,has Fobs","136450","2020-10-21","18:00:00",""
"2240669","11.296","0.004","18.719","0.007","17.829","0.007","90","","95.362","0.005","90","","3753","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Butyl-6-[2-(pyridin-4-yl)ethenyl]carbazol-3-amine","","- C23 H23 N3 -","- C23 H23 N3 -","- C184 H184 N24 -","8","2","","Zhang, Ping; Bai, Xiang-Yang; Zhang, Ting","Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethenyl]carbazol-3-amine","Acta Crystallographica Section E","2015","71","5","o345","o346","10.1107/S2056989015007975","","","0.71073","MoKα","","0.0765","0.053","","","0.1455","0.1661","","","","","","1.137","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240670","24.651","0.008","16.395","0.005","18.423","0.006","90","","129.584","0.003","90","","5738","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate","","- C46 H63 Cu4 N4 O19.5 -","- C46 H62 Cu4 N4 O19.5 -","- C184 H248 Cu16 N16 O78 -","4","0.5","","Wang, Weilun; Ran, Jingwen","Crystal structure of tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate","Acta Crystallographica Section E","2015","71","5","m116","m117","10.1107/S2056989015007513","","","0.71073","MoKα","","0.1035","0.0578","","","0.159","0.1878","","","","","","1.255","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240671","5.5006","0.0003","13.7638","0.0008","20.2148","0.0014","90","","90","","90","","1530.45","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-3-Methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","GK2628","Danish, Muhammad; Tahir, Muhammad Nawaz; Jabeen, Nabila; Raza, Muhammad Asam","Crystal structure of (2<i>S</i>)-3-methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid","Acta Crystallographica Section E","2015","71","5","o308","","10.1107/S2056989015007057","","","0.71073","MoKα","","0.0583","0.0448","","","0.0887","0.0954","","","","","","1.02","","","","has coordinates,has Fobs","136453","2020-10-21","18:00:00",""
"2240672","13.882","0.0004","3.8695","0.0001","24.0068","0.0005","90","","102.483","0.001","90","","1259.07","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-Bromo-2-hydroxybenzylidene)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","","- C16 H9 Br O3 -","- C16 H9 Br O3 -","- C64 H36 Br4 O12 -","4","1","WM5145","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 2-(5-bromo-2-hydroxybenzylidene)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","Acta Crystallographica Section E","2015","71","5","o324","o325","10.1107/S2056989015007434","","","1.54178","CuKα","","0.0226","0.0212","","","0.0551","0.0562","","","","","","1.088","","","","has coordinates,has Fobs","136454","2020-10-21","18:00:00",""
"2240673","10.2194","0.0004","13.4661","0.0005","10.46","0.0004","90","","102.78","0.004","90","","1403.8","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Chloro-2-(4-methylphenyl)-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","","- C17 H12 Cl N3 -","- C17 H12 Cl N3 -","- C68 H48 Cl4 N12 -","4","1","SJ5454","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","The crystal structure of 3-chloro-2-(4-methylphenyl)-2<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section E","2015","71","5","567","570","10.1107/S205698901500818X","","","1.54184","CuKα","","0.0431","0.0396","","","0.1101","0.1136","","","","","","1.046","","","","has coordinates,has Fobs","136455","2020-10-21","18:00:00",""
"2240674","19.5285","0.0003","17.337","0.0003","14.1484","0.0003","90","","92.136","0.002","90","","4786.83","0.15","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)","","- C43 H75 F3 N4 Ni O6 -","- C43 H75 F3 N4 Ni O6 -","- C172 H300 F12 N16 Ni4 O24 -","4","0.5","","Eya'ane Meva, François; Schaarschmidt, Dieter; Rüffer, Tobias","Crystal structure of an unknown solvate of bis(tetra-<i>n</i>-butylammonium) [<i>N</i>,<i>N</i>'-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']nickelate(II)","Acta Crystallographica Section E","2015","71","6","578","581","10.1107/S205698901500835X","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1018","","","","","","1.088","","","","has coordinates,has Fobs","136456","2020-10-21","18:00:00",""
"2240675","9.0447","0.0018","9.3798","0.0019","23.802","0.007","90","","103.44","0.03","90","","1964","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Butylsulfanyl-4,6-bis[(<i>E</i>)-styryl]pyrimidine","","- C24 H24 N2 S -","- C24 H24 N2 S -","- C96 H96 N8 S4 -","4","1","","Wang, Aijian; Li, Guanghui","Crystal structure of 2-butylsulfanyl-4,6-bis[(<i>E</i>)-styryl]pyrimidine","Acta Crystallographica Section E","2015","71","5","o368","","10.1107/S2056989015008166","","","0.71073","MoKα","","0.0372","0.0338","","","0.085","0.0873","","","","","","1.056","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240676","9.456","0.002","12.802","0.003","24.953","0.005","90","","93.152","0.002","90","","3016.1","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","","- C12 H20 F I N2 Pd -","- C12 H20 F I N2 Pd -","- C96 H160 F8 I8 N16 Pd8 -","8","1","","Yan, Jin-Jin; Zheng, Chang-Ge","Crystal structure of (4-fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2015","71","5","m124","m125","10.1107/S2056989015008014","","","0.71073","MoKα","","0.0409","0.0391","","","0.1179","0.1199","","","","","","1.001","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240677","14.9043","0.0002","8.50185","0.00011","22.6111","0.0003","90","","108.279","0.0016","90","","2720.57","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","({4-[(4-Bromophenyl)ethynyl]-3,5-diethylphenyl}ethynyl)triisopropylsilane","","- C29 H37 Br Si -","- C29 H37 Br Si -","- C116 H148 Br4 Si4 -","4","1","HG5438","Shu, Caiyun; Moxey, Graeme J.; Barlow, Adam; Morshedi, Mahbod","Crystal structure of ({4-[(4-bromophenyl)ethynyl]-3,5-diethylphenyl}ethynyl)triisopropylsilane","Acta Crystallographica Section E","2015","71","5","o321","o322","10.1107/S2056989015007252","","","1.54184","CuKα","","0.0432","0.0362","","","0.089","0.0934","","","","","","1.029","","","","has coordinates,has Fobs","136459","2020-10-21","18:00:00",""
"2240678","8.1834","0.0006","11.3713","0.0008","12.6853","0.0008","108.07","0.003","105.164","0.004","90.256","0.003","1078.42","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile","","- C26 H16 N6 O -","- C26 H16 N6 O -","- C52 H32 N12 O2 -","2","1","HB7394","Vimala, G.; Raja, J. Kamal; Naaz, Y. Amina; Preumal, P. T.; SubbiahPandi, A.","Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2015","71","5","o335","o336","10.1107/S2056989015006921","","","0.71073","MoKα","","0.0695","0.0464","","","0.1255","0.1429","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240679","8.4873","0.0018","10.821","0.002","16.232","0.003","90","","90","","90","","1490.8","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-({[2-(1,3-Dioxan-2-yl)phenyl]imino}methyl)phenol","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Li, Zhengyi; Shi, Song; Zhou, Kun; Chen, Liang; Sun, Xiaoqiang","Crystal structure of (<i>E</i>)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","5","o357","o358","10.1107/S2056989015008051","","","0.71073","MoKα","","0.0525","0.039","","","0.0909","0.0973","","","","","","1","","","","has coordinates,has Fobs","136461","2020-10-21","18:00:00",""
"2240680","6.5717","0.001","11.8058","0.0017","16.201","0.002","90","","97.374","0.003","90","","1246.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Chloroethyl)[2-(methylsulfanyl)benzyl]ammonium chloride","","- C10 H15 Cl2 N S -","- C10 H15 Cl2 N S -","- C40 H60 Cl8 N4 S4 -","4","1","","Raghavendra Kumar, P.; Shailesh, Upereti; Palakshamurthy, B. S.","Crystal structure of (2-chloroethyl)[2-(methylsulfanyl)benzyl]ammonium chloride","Acta Crystallographica Section E","2015","71","6","621","623","10.1107/S2056989015008221","","","0.71073","MoKα","","0.0951","0.0649","","","0.1427","0.1577","","","","","","1.044","","","","has coordinates,has Fobs","136462","2020-10-21","18:00:00",""
"2240681","6.406","0.0017","14.96","0.006","10.867","0.003","90","","90","","90","","1041.4","0.6","294","2","294","2","","","","","","","","4","C m c 21","C 2c -2","36","","2,4-Diamino-7-(hydroxymethyl)pteridin-1-ium nitrate","","- C7 H9 N7 O4 -","- C7 H9 N7 O4 -","- C28 H36 N28 O16 -","4","0.5","SU5127","Sivajeyanthi, Palaniyappan; Balasubramani, Kasthuri; Jeevaraj, Muthaiah; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","Crystal structure of 2,4-diamino-7-(hydroxymethyl)pteridin-1-ium nitrate","Acta Crystallographica Section E","2015","71","6","o376","o377","10.1107/S2056989015008397","","","0.71073","MoKα","","0.0403","0.0303","","","0.0679","0.0738","","","","","","1.032","","","","has coordinates,has Fobs","136463","2020-10-21","18:00:00",""
"2240682","8.7409","0.0002","14.474","0.0003","14.2774","0.0003","90","","101.141","0.001","90","","1772.28","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(11-Oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","","- C25 H14 O4 -","- C25 H14 O4 -","- C100 H56 O16 -","4","1","IS5397","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antanr A.; Albayati, Mustafa R.","Crystal structure of 2-(11-oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","Acta Crystallographica Section E","2015","71","5","o333","o334","10.1107/S2056989015007495","","","1.54178","CuKα","","0.0377","0.0346","","","0.0872","0.0899","","","","","","1.058","","","","has coordinates,has Fobs","136464","2020-10-21","18:00:00",""
"2240683","7.1445","0.0004","7.4876","0.0005","8.6362","0.0007","73.597","0.006","75.596","0.005","89.404","0.005","428.37","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate","","- C4 H20 Cl6 Ir2 O6 -","- C4 H20 Cl6 Ir2 O6 -","- C4 H20 Cl6 Ir2 O6 -","1","0.5","LH5757","Merola, Joseph S.; Slebodnick, Carla; Houser, Christopher","Crystal structure of di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate: a surprisingly simple chloridoiridium(III) dinuclear complex with methanol ligands","Acta Crystallographica Section E","2015","71","5","528","530","10.1107/S2056989015006672","","","0.71073","MoKα","","0.0321","0.0275","","","0.0533","0.0554","","","","","","1.028","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240684","10.601","0.002","16.954","0.003","11.246","0.002","90","","107.19","0.03","90","","1930.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-<i>N</i>'-[1-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4<i>H</i>-pyrazol-4-ylidene)propyl]benzenesulfonohydrazide","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C76 H80 N16 O12 S4 -","4","1","","He, Chuan-Chuan; Xu, Guan-Cheng","Crystal structure of (<i>Z</i>)-<i>N</i>'-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4<i>H</i>-pyrazol-4-ylidene)propyl]benzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","5","487","489","10.1107/S2056989015007094","","","0.71073","MoKα","","0.0521","0.0402","","","0.1189","0.131","","","","","","1.076","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240685","4.7151","0.0001","15.4517","0.0004","13.9645","0.0004","90","","93.921","0.002","90","","1015.02","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5-Fluoroisatin-thiosemicarbazone","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","","- C9 H7 F N4 O S -","- C9 H7 F N4 O S -","- C36 H28 F4 N16 O4 S4 -","4","1","","Bittencourt, Viviane C. D.; Almeida, Vitor Y. G.; Back, Davi F.; Gervini, Vanessa C.; de Oliveira, Adriano Bof","Crystal structure of (<i>Z</i>)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2015","71","6","o383","o384","10.1107/S2056989015008609","","","0.71073","MoKα","","0.0871","0.0486","","","0.1175","0.1403","","","","","","1.008","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240686","9.1101","0.0006","20.0087","0.0012","7.1231","0.0004","90","","110.491","0.002","90","","1216.25","0.13","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]","","- C12 H12 Cl2 Cu N2 -","- C12 H12 Cl2 Cu N2 -","- C48 H48 Cl8 Cu4 N8 -","4","1","ZL2617","Nita, Rafaela; Deschamps, Jeffrey R.; Trammell, Scott A.; Knight, D. Andrew","Crystal structure of <i>catena</i>-poly[[chlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-chlorido]","Acta Crystallographica Section E","2015","71","6","624","627","10.1107/S2056989015008944","","","0.71073","MoKα","","0.0312","0.0295","","","0.0712","0.0719","","","","","","1.048","","","","has coordinates,has Fobs","136468","2020-10-21","18:00:00",""
"2240687","12.576","0.001","12.769","0.002","12.481","0.001","90","","115.58","0.01","90","","1807.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-{2-[2-(3-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-\ methylbenzenesulfonamide monohydrate","","- C16 H18 Cl N3 O4 S -","- C16 H18 Cl N3 O4 S -","- C64 H72 Cl4 N12 O16 S4 -","4","1","SU5128","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","Crystal structure of (<i>E</i>)-<i>N</i>-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate","Acta Crystallographica Section E","2015","71","6","602","605","10.1107/S2056989015008506","","","0.71073","MoKα","","0.0633","0.0408","","","0.0948","0.1064","","","","","","1.035","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240688","7.203","0.001","9.5844","0.0012","12.9957","0.0017","91.939","0.005","97.198","0.006","91.716","0.005","889.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(3,4,5-Trimethoxyphenyl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylic acid","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Fernandes, Daniara; de Simoni, Deborah; Rodrigues, Jr, Manoel T.; Santos, Marilia S.; Coelho, Fernando","Crystal structure of 3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylic acid","Acta Crystallographica Section E","2015","71","6","o395","o396","10.1107/S2056989015008786","","","0.71073","MoKα","","0.0474","0.0378","","","0.1079","0.1188","","","","","","0.936","","","","has coordinates,has Fobs","136470","2020-10-21","18:00:00",""
"2240689","5.549","0.0002","8.7759","0.0003","19.4428","0.0006","90","","92.815","0.002","90","","945.67","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-Acetyl-2-(4-chlorophenyl)-6-hydroxy-4-[(2-hydroxypropyl)amino]-6-methylcyclohex-3-en-1-yl}ethanone","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C40 H52 Cl2 N2 O8 -","2","1","XU5848","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 1-{3-acetyl-2-(4-chlorophenyl)-6-hydroxy-4-[(2-hydroxypropyl)amino]-6-methylcyclohex-3-en-1-yl}ethanone","Acta Crystallographica Section E","2015","71","5","o369","o370","10.1107/S2056989015008191","","","1.54178","CuKα","","0.068","0.0589","","","0.1398","0.1443","","","","","","1.056","","","","has coordinates,has Fobs","136471","2020-10-21","18:00:00",""
"2240690","27.752","0.005","5.5793","0.0009","17.302","0.003","90","","115.855","0.002","90","","2410.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-\ μ-3-({4-[(2-carboxylatoethyl)carbamoyl]phenyl}formamido)propanoato-\ κ^2^<i>O</i>:<i>O</i>'] dihydrate]","","- C20 H28 Cu N6 O9 -","- C20 H28 Cu N6 O9 -","- C80 H112 Cu4 N24 O36 -","4","0.5","XU5844","Liu, Yan; Xu, Liu-Yang; Zhang, Hong-Tao","Crystal structure of <i>catena</i>-poly[[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-3-({4-[(2-carboxylatoethyl)carbamoyl]phenyl}formamido)propanoato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2015","71","5","m108","m109","10.1107/S205698901500626X","","","0.71073","MoKα","","0.1113","0.0526","","","0.1144","0.1391","","","","","","0.986","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240691","16.0782","0.001","7.2618","0.0004","12.7396","0.0008","90","","113.311","0.004","90","","1366.01","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromophenyl-2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C16 H9 Br O4 -","- C16 H9 Br O4 -","- C64 H36 Br4 O16 -","4","1","TK5362","Devarajegowda, H. C.; Suchetan, P. A.; Srinivasa, H. T.; Sreenivasa, S.; Palakshamurthy, B. S.","Crystal structure of 4-bromophenyl-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2015","71","5","o326","o327","10.1107/S2056989015006738","","","0.71073","MoKα","","0.051","0.0337","","","0.0739","0.0789","","","","","","1.011","","","","has coordinates,has Fobs","136473","2020-10-21","18:00:00",""
"2240692","3.7598","0.0005","10.2467","0.0014","12.8768","0.0017","104.628","0.006","96.616","0.005","98.009","0.004","469.43","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,11-Dihydropyrido[2,3-<i>b</i>][1,4]benzodiazepin-6-one","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C24 H18 N6 O2 -","2","1","HB7396","Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike","Crystal structure of 5,11-dihydropyrido[2,3-<i>b</i>][1,4]benzodiazepin-6-one","Acta Crystallographica Section E","2015","71","5","o304","o305","10.1107/S2056989015006817","","","0.71073","MoKα","","0.0656","0.0409","","","0.087","0.1095","","","","","","1.063","","","","has coordinates,has Fobs","136474","2020-10-21","18:00:00",""
"2240693","5.1358","0.0007","10.5687","0.0009","17.606","0.002","90","","90","","90","","955.63","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Sodium lithium iron(III) trimolybdate","","- Fe Li2.6 Mo3 Na0.4 O12 -","- Fe Li2.6 Mo3 Na0.4 O12 -","- Fe4 Li10.4 Mo12 Na1.6 O48 -","4","0.5","HB7397","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","Synthèse et étude structrale de lyonsite-type (Na~0,4~,Li~0,6~)(Fe,Li~2~)(MoO~4~)~3~","Acta Crystallographica Section E","2015","71","6","597","601","10.1107/S2056989015008737","","","0.71073","MoKα","","0.0259","0.0227","","","0.0554","0.0563","","","","","","1.156","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240694","16.396","0.003","21.732","0.004","7.2412","0.0012","90","","90","","90","","2580.2","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-(4-Fluorophenyl)-1-isopropyl-1,2,4-triazol-1-ium iodide","","- C11 H13 F I N3 -","- C11 H13 F I N3 -","- C88 H104 F8 I8 N24 -","8","1","ZL2623","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0593","0.035","","","0.0694","0.077","","","","","","1.028","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240695","15.843","0.003","21.933","0.004","7.825","0.0014","90","","90","","90","","2719.1","0.9","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1-Isopropyl-4-(4-methylphenyl)-1,2,4-triazol-1-ium iodide","","- C12 H16 I N3 -","- C12 H16 I N3 -","- C96 H128 I8 N24 -","8","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0462","0.0305","","","0.06","0.0648","","","","","","1.036","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240696","5.9326","0.0011","17.826","0.003","12.129","0.002","90","","102.897","0.007","90","","1250.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Isopropyl-4-phenyl-1,2,4-triazol-1-ium iodide","","- C11 H14 I N3 -","- C11 H14 I N3 -","- C44 H56 I4 N12 -","4","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.026","0.0226","","","0.0533","0.0546","","","","","","1.091","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240697","7.66","0.002","16.912","0.005","8.412","0.003","90","","101.137","0.007","90","","1069.2","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Methyl-4-phenyl-1,2,4-triazol-1-ium iodide","","- C9 H10 I N3 -","- C9 H10 I N3 -","- C36 H40 I4 N12 -","4","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0183","0.0176","","","0.0369","0.0371","","","","","","1.047","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240698","24.783","0.006","8.996","0.002","13.089","0.003","90","","100.068","0.007","90","","2873.2","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Benzyl-4-phenyl-1,2,4-triazol-1-ium bromide monohydrate","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C120 H128 Br8 N24 O8 -","8","1","","Guino-o, Marites A.; Talbot, Meghan O.; Slitts, Michael M.; Pham, Theresa N.; Audi, Maya C.; Janzen, Daron E.","Crystal structures of five 1-alkyl-4-aryl-1,2,4-triazol-1-ium halide salts","Acta Crystallographica Section E","2015","71","6","628","635","10.1107/S2056989015009019","","","0.71075","MoKα","","0.0577","0.0425","","","0.0916","0.098","","","","","","1.083","","","","has coordinates,has Fobs","136635","2020-10-21","18:00:00",""
"2240699","8.0734","0.001","9.964","0.0012","27.69","0.0015","90","","90","","90","","2227.5","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate","(3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>)-10,13-Dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C22 H29 F3 O5 S -","- C22 H29 F3 O5 S -","- C88 H116 F12 O20 S4 -","4","1","CV5486","Zhou, Shengjun; Huang, Huaqi; Zhang, Ting; Wang, Dangfeng; Huang, Rongbin","Crystal structure of 3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2015","71","6","o404","o405","10.1107/S2056989015009123","","","0.71073","MoKα","","0.0964","0.0603","","","0.1464","0.1888","","","","","","1.112","","","","has coordinates,has Fobs","136636","2020-10-21","18:00:00",""
"2240700","7.908","0.001","10.0806","0.001","8.6371","0.001","90","","105.841","0.001","90","","662.38","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium chromium (III) diarsenate","","- As2 Cr Cs O7 -","- As2 Cr Cs O7 -","- As8 Cr4 Cs4 O28 -","4","1","WM5157","Bouhassine, Mohamad Alem; Boughzala, Habib","Crystal structure of CsCrAs~2~O~7~, a new member of the diarsenate family","Acta Crystallographica Section E","2015","71","6","636","639","10.1107/S205698901500910X","","","0.71073","MoKα","","0.0386","0.0271","","","0.0717","0.0753","","","","","","1.127","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240702","9.988","0.0001","29.1281","0.0004","11.0751","0.0002","90","","101.367","0.001","90","","3158.89","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(3<i>S</i>,4<i>S</i>)-4-(Anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2<i>H</i>-phenalene-1,3-dione","","- C36 H24 N2 O4 -","- C36 H24 N2 O4 -","- C144 H96 N8 O16 -","4","1","SU5084","Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer","Crystal structure of 2-[(3<i>S</i>,4<i>S</i>)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2<i>H</i>-phenalene-1,3-dione unknown solvate","Acta Crystallographica Section E","2015","71","3","o184","o185","10.1107/S2056989015002959","","","0.71073","MoKα","","0.119","0.0717","","","0.2176","0.2416","","","","","","1.097","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240703","30.8628","0.0007","6.5559","0.0002","13.1565","0.0003","90","","96.428","0.001","90","","2645.26","0.12","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-oxo-3,6-dihydropyrimidin-1-ium <i>p</i>-toluenesulfonate","","- C11 H14 N4 O4 S -","- C11 H14 N4 O4 S -","- C88 H112 N32 O32 S8 -","8","1","SU5107","Mamallan, Krishnasamy; Tagore, Sadasivam Sharmila; Gomathi, Sundaramoorthy; Sethuraman, Velusamy","Crystal structure of 2,4-diamino-6-oxo-3,6-dihydropyrimidin-1-ium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2015","71","5","476","478","10.1107/S2056989015006787","","","0.71073","MoKα","","0.0449","0.0365","","","0.1027","0.1088","","","","","","1.055","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240706","13.7576","0.0005","14.5343","0.0006","7.1353","0.0003","90","","92.817","0.003","90","","1425.03","0.1","293","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(<i>p</i>-Tolyl)-6-(trifluoromethyl)benzo[<i>b</i>]thiophene-3-carbonitrile","","- C17 H10 F3 N S -","- C17 H10 F3 N S -","- C68 H40 F12 N4 S4 -","4","1","HB7416","Sandhya, N. C.; Naveen, S.; Lokanath, N. K.; Ananda, S.","Crystal structure of 2-(<i>p</i>-tolyl)-6-(trifluoromethyl)benzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section E","2015","71","6","o382","","10.1107/S2056989015008671","","","1.54178","CuKα","","0.0682","0.0526","","","0.1294","0.1406","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240707","17.8214","0.001","6.163","0.0003","32.3569","0.0019","90","","103.165","0.002","90","","3460.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","chalcone","(<i>E</i>)-1-(4'-Methyl-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","SU5045","Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","Crystal structure of (<i>E</i>)-1-(4'-methyl-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","1","o65","o66","10.1107/S2056989014027443","","","0.71073","MoKα","","0.0983","0.0672","","","0.1545","0.1766","","","","","","1.077","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240709","12.1468","0.0004","8.4194","0.0002","20.9636","0.0007","90","","90","","90","","2143.92","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-[2-(2,6-Dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","","- C24 H20 Cl2 N2 O -","- C24 H20 Cl2 N2 O -","- C96 H80 Cl8 N8 O4 -","4","1","SJ5450","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.","Crystal structure of 1-[2-(2,6-dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2015","71","5","o299","o300","10.1107/S2056989015006763","","","1.54184","CuKα","","0.04","0.0371","","","0.095","0.0969","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","136865","2020-10-21","18:00:00",""
"2240710","10.6816","0.0007","11.1416","0.0008","11.5409","0.0008","90","","100.674","0.004","90","","1349.72","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Azidomethyl-6-<i>tert</i>-butyl-2<i>H</i>-chromen-2-one","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","HB7363","El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Panzi, Mukhokosi Emma; Mahendra, M.","Crystal structure of 4-azidomethyl-6-<i>tert</i>-butyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2015","71","4","o218","o219","10.1107/S205698901500290X","","","1.54178","CuKα","","0.049","0.0454","","","0.1279","0.1321","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240711","14.371","0.003","13.368","0.003","22.771","0.006","90","0.005","99.325","0.005","90","0.05","4316.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxyphenyl)-7-methyl-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C22 H24 N4 O4 S -","- C22 H24 N4 O4 S -","- C176 H192 N32 O32 S8 -","8","1","SU5092","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxyphenyl)-7-methyl-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2015","71","4","o256","o257","10.1107/S2056989015005241","","","0.71073","MoKα","","0.0689","0.0502","","","0.1311","0.1487","","","","","","1.014","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240713","10.937","0.003","9.934","0.003","14.629","0.004","90","","108.239","0.005","90","","1509.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl- 1,3-diazinane-5-carboxylate","","- C14 H14 F4 N2 O3 S -","- C14 H14 F4 N2 O3 S -","- C56 H56 F16 N8 O12 S4 -","4","1","HB7389","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate","Acta Crystallographica Section E","2015","71","5","o268","o269","10.1107/S2056989015005836","","","0.71073","MoKα","","0.0573","0.0459","","","0.1268","0.1412","","","","","","1.032","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240714","6.895","0.002","7.862","0.002","11.592","0.004","72.218","0.006","79.662","0.005","82.43","0.006","586.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Azidomethyl-6-isopropyl-2<i>H</i>-chromen-2-one","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","LH5754","Krishnamurthy, M. S.; Begum, Noor Shahina; Shamala, D.; Shivashankar, K.","Crystal structure of 4-azidomethyl-6-isopropyl-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2015","71","4","o227","o228","10.1107/S2056989015004387","","","0.71073","MoKα","","0.0609","0.0506","","","0.1391","0.1498","","","","","","1.074","","","","has coordinates,has Fobs","136872","2020-10-21","18:00:00",""
"2240716","9.3846","0.0003","9.7174","0.0003","12.5603","0.0004","76.405","0.002","84.739","0.002","72.696","0.002","1062.65","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(4-methylbenzyl)-1<i>H</i>-1,3-benzimidazol-3-ium bromide monohydrate","","- C23 H25 Br N2 O -","- C23 H25 Br N2 O -","- C46 H50 Br2 N4 O2 -","2","1","HB7325","Çelikesir, Sevim Türktekin; Çelik, Ömer; Akkoç, Senem; İlhan, İlhan Özer; Gök, Yetkin; Akkurt, Mehmet","Crystal structure of 1,3-bis(4-methylbenzyl)-1<i>H</i>-1,3-benzimidazol-3-ium bromide monohydrate","Acta Crystallographica Section E","2015","71","1","o10","o11","10.1107/S2056989014025857","","","0.71073","MoKα","","0.0687","0.0475","","","0.1245","0.1349","","","","","","1.062","","","","has coordinates,has Fobs","136875","2020-10-21","18:00:00",""
"2240717","9.8044","0.0003","10.6483","0.0003","11.1573","0.0003","66.957","0.001","70.105","0.001","65.973","0.001","956.06","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C44 H36 N4 O10 -","2","1","SU5026","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Çelik, Ömer","Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one","Acta Crystallographica Section E","2015","71","1","o12","o13","10.1107/S2056989014025833","","","0.71073","MoKα","","0.0573","0.0459","","","0.1178","0.1247","","","","","","1.09","","","","has coordinates,has Fobs","136876","2020-10-21","18:00:00",""
"2240719","8.5551","0.0001","10.5","0.0002","12.7576","0.0003","106.463","0.001","100.913","0.001","108.272","0.001","993.72","0.03","296","2","296","","","","","","","","","5","P -1","-P 1","2","4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium 3,5-dinitrosalicylate","4-{[(5-Methylisoxazol-3-yl)amino]sulfonyl}anilinium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H15 N5 O10 S -","- C17 H15 N5 O10 S -","- C34 H30 N10 O20 S2 -","2","1","SU5130","Malathy, Sevaiyan; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas","Crystal structure of 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2015","71","6","618","620","10.1107/S2056989015008701","","","0.71073","MoKα","","0.0679","0.0478","","","0.1259","0.1387","","","","","","1.046","","","","has coordinates,has Fobs","136878","2020-10-21","18:00:00",""
"2240728","8.229","0.003","10.181","0.004","13.198","0.005","84.221","0.01","80.036","0.01","82.136","0.011","1075.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[4-Amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]acetamide hemihydrate","","- C9 H11 N4 O1.5 S -","- C9 H11 N4 O1.5 S -","- C36 H44 N16 O6 S4 -","4","2","SU5077","Akkurt, Mehmet; Knight, Kyle S.; Mohamed, Shaaban K.; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of <i>N</i>-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]acetamide hemihydrate","Acta Crystallographica Section E","2015","71","3","o171","o172","10.1107/S205698901500256X","","","0.71073","MoKα","","0.0873","0.0522","","","0.1323","0.1503","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2240729","16.9505","0.0004","4.6517","0.0001","21.7167","0.0006","90","","99.757","0.001","90","","1687.56","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-chlorophenoxy)-4-(2-nitrophenyl)azetidin-2-one","","- C15 H11 Cl N2 O4 -","- C15 H11 Cl N2 O4 -","- C60 H44 Cl4 N8 O16 -","4","1","HB7322","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Çelik, Ömer","Crystal structure of 3-(4-chlorophenoxy)-4-(2-nitrophenyl)azetidin-2-one with an unknown solvate","Acta Crystallographica Section E","2015","71","1","o8","o9","10.1107/S2056989014025845","","","0.71073","MoKα","","0.0687","0.0493","","","0.1252","0.1353","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240730","11.2147","0.0004","5.3988","0.0002","19.6834","0.0007","90","","102.031","0.004","90","","1165.57","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Propan-2-ylcarbamothioyl)benzamide","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","TK5351","Jasinski, Jerry P.; Akkurt, Mehmet; Mohamed, Shaaban K.; Gad, Mohamed A.; Albayati, Mustafa R.","Crystal structure of <i>N</i>-(propan-2-ylcarbamothioyl)benzamide","Acta Crystallographica Section E","2015","71","1","o56","o57","10.1107/S2056989014027133","","","1.54184","CuKα","","0.0533","0.049","","","0.1391","0.146","","","","","","1.08","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240731","6.8591","0.0002","12.1829","0.0004","13.5405","0.0005","90","","90","","90","","1131.49","0.06","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-{[(2-Chlorophenyl)imino]methyl}phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","HB7335","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 2-{[(2-chlorophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","1","o48","","10.1107/S2056989014026978","","","0.71073","MoKα","","0.0436","0.0342","","","0.0901","0.0966","","","","","","1.057","","","","has coordinates,has Fobs","136892","2020-10-21","18:00:00",""
"2240732","8.2674","0.0003","10.0529","0.0004","10.0562","0.0004","101.193","0.002","108.616","0.002","98.741","0.002","756.14","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate","","- C18 H13 F2 N O2 -","- C18 H13 F2 N O2 -","- C36 H26 F4 N2 O4 -","2","1","SU5120","Sunitha, V. M.; Naveen, S.; Manjunath, H. R.; Benaka Prasad, S. B.; Manivannan, V.; Lokanath, N. K.","Crystal structure of ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate","Acta Crystallographica Section E","2015","71","5","o341","o342","10.1107/S2056989015007677","","","1.54178","CuKα","","0.0493","0.0441","","","0.1245","0.1306","","","","","","1.049","","","","has coordinates,has Fobs","136893","2020-10-21","18:00:00",""
"2240735","5.0863","0.0007","12.698","0.002","13.069","0.002","90","","90","","90","","844.1","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-Diamino-2-(methylsulfanyl)pyridine-3-carbonitrile","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","1","IS5390","Mohamed, Shaaban K.; Knight, Kyle S.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of 4,6-diamino-2-(methylsulfanyl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","3","o197","o198","10.1107/S2056989015003114","","","0.71073","MoKα","","0.0317","0.0256","","","0.0597","0.062","","","","","","1.063","","","","has coordinates,has Fobs","136897","2020-10-21","18:00:00",""
"2240736","5.1654","0.0007","20.483","0.003","10.9489","0.0014","90","","103.562","0.005","90","","1126.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-Amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-chloroacetamide","","- C9 H9 Cl N4 O S -","- C9 H9 Cl N4 O S -","- C36 H36 Cl4 N16 O4 S4 -","4","1","HB7362","Mohamed, Shaaban K.; Knight, Kyle S.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of <i>N</i>-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-chloroacetamide","Acta Crystallographica Section E","2015","71","3","o169","o170","10.1107/S2056989015002431","","","0.71073","MoKα","","0.0455","0.035","","","0.0896","0.0955","","","","","","1.045","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240738","9.2302","0.0004","9.85","0.0004","23.1347","0.0009","90","","90","","90","","2103.35","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 Cl F N2 -","- C13 H8 Cl F N2 -","- C104 H64 Cl8 F8 N16 -","8","1","HB7406","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-(4-chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2015","71","6","o387","o388","10.1107/S2056989015008683","","","0.71073","MoKα","","0.0454","0.0376","","","0.0983","0.1023","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","136900","2020-10-21","18:00:00",""
"2240742","7.3386","0.0007","14.9133","0.0011","24.3322","0.0018","90","","90","","90","","2663","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3,4-Dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","GK2634","Salim, Muhammad; Tahir, Muhammad Nawaz; Shahid, Muhammad; Munawar, Munawar Ali","Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o413","","10.1107/S2056989015009299","","","0.71073","MoKα","","0.0955","0.0481","","","0.1169","0.1438","","","","","","1.019","","","","has coordinates,has Fobs","137006","2020-10-21","18:00:00",""
"2240743","15.599","0.003","7.444","0.0015","13.792","0.003","90","","105.83","0.03","90","","1540.8","0.6","260","2","260","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III) perchlorate","","- C6 H16 Cl Cr N6 O4 S2 -","- C6 H16 Cl Cr N6 O4 S2 -","- C24 H64 Cl4 Cr4 N24 O16 S8 -","4","0.5","SJ5459","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III) perchlorate from synchrotron data","Acta Crystallographica Section E","2015","71","6","650","653","10.1107/S2056989015009184","","","0.63","synchrotron","","0.0614","0.0599","","","0.1763","0.1783","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","137007","2020-10-21","18:00:00",""
"2240744","10.1663","0.0007","12.835","0.0007","13.615","0.002","103.734","0.005","106.193","0.006","92.48","0.004","1645.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Pentapotassium dihydrogen nonavanadato(V)platinate(IV) nonahydrate","","- H20 K5 O37 Pt V9 -","- H20 K5 O37 Pt V9 -","- H40 K10 O74 Pt2 V18 -","2","1","VN2093","Joo, Hea-Chung; Lee, Uk","Crystal structure of pentapotassium dihydrogen nonavanadato(V)platinate(IV) nonahydrate","Acta Crystallographica Section E","2015","71","6","647","649","10.1107/S2056989015009135","","","0.71069","MoKα","","0.0336","0.0277","","","0.0612","0.0655","","","","","","1.102","","","","has coordinates,has Fobs","137008","2020-10-21","18:00:00",""
"2240745","16.961","0.004","16.446","0.003","12.987","0.003","90","","117.022","0.003","90","","3227.1","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]{μ-4,4'-[1,4-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}cobalt(II)]","","- C38 H30 Co N4 O6 -","- C38 H30 Co N4 O6 -","- C152 H120 Co4 N16 O24 -","4","0.5","","Xie, Chen; Zheng, ChangGe","Crystal structure of poly[[μ-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]{μ-4,4'-[1,4-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}cobalt(II)]","Acta Crystallographica Section E","2015","71","6","m131","m132","10.1107/S2056989015008294","","","0.71073","MoKα","","0.0588","0.0491","","","0.1305","0.1404","","","","","","1.02","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240746","7.2348","0.0003","12.8737","0.0006","17.7843","0.0007","90","","90","","90","","1656.41","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C76 H60 Cl4 N8 O8 -","4","1","HB7419","Shahid, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Salim, Muhammad; Malik, Khizar Iqbal","Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o407","o408","10.1107/S2056989015009020","","","0.71073","MoKα","","0.0717","0.0425","","","0.0798","0.0913","","","","","","0.999","","","","has coordinates,has Fobs","137010","2020-10-21","18:00:00",""
"2240747","10.1558","0.0007","12.1446","0.0009","33.605","0.002","90","","90","","90","","4144.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 3-(5-chloro-2-phenyl-1<i>H</i>-indol-3-yl)-3-phenylpropanoate","","- C25 H22 Cl N O2 -","- C25 H22 Cl N O2 -","- C200 H176 Cl8 N8 O16 -","8","1","LH5763","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives as possible cannabinoid allosteric antagonists","Acta Crystallographica Section E","2015","71","6","654","659","10.1107/S2056989015008476","","","0.71075","MoKα","","0.0657","0.0528","","","0.1428","0.1528","","","","","","1.051","","","","has coordinates,has Fobs","137011","2020-10-21","18:00:00",""
"2240748","9.7223","0.0007","10.2804","0.0007","13.9652","0.001","90","","91.238","0.002","90","","1395.48","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromo-3-(2-nitro-1-phenylethyl)-1<i>H</i>-indole","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C64 H52 Br4 N8 O8 -","4","1","LH5763","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives as possible cannabinoid allosteric antagonists","Acta Crystallographica Section E","2015","71","6","654","659","10.1107/S2056989015008476","","","0.71075","MoKα","","0.0447","0.0404","","","0.1055","0.108","","","","","","1.066","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240749","9.7561","0.0007","10.0258","0.0007","10.8942","0.0008","116.415","0.005","91.843","0.004","97.963","0.004","939.84","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-3-(2-nitro-1-phenylethyl)-2-phenyl-1<i>H</i>-indole","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","LH5763","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives as possible cannabinoid allosteric antagonists","Acta Crystallographica Section E","2015","71","6","654","659","10.1107/S2056989015008476","","","0.71075","MoKα","","0.0402","0.0352","","","0.0942","0.0973","","","","","","1.057","","","","has coordinates,has Fobs","137011","2020-10-21","18:00:00",""
"2240750","9.583","0.0007","9.7555","0.0007","10.2307","0.0007","79.546","0.006","77.966","0.006","87.455","0.007","919.87","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-(2-nitro-1-phenylethyl)-2-phenyl-1<i>H</i>-indole","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C44 H34 Cl2 N4 O4 -","2","1","LH5763","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives as possible cannabinoid allosteric antagonists","Acta Crystallographica Section E","2015","71","6","654","659","10.1107/S2056989015008476","","","0.71073","MoKα","","0.0403","0.0312","","","0.0821","0.0849","","","","","","1.061","","","","has coordinates,has Fobs","137011","2020-10-21","18:00:00",""
"2240751","9.7368","0.0008","19.7474","0.0017","11.417","0.0009","90","","109.728","0.009","90","","2066.4","0.3","100.1","0.6","100.1","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyltriphenylphosphonium chloride monohydrate","","- C25 H24 Cl O P -","- C25 H24 Cl O P -","- C100 H96 Cl4 O4 P4 -","4","1","SU5134","Ahmad, Jimmy; Abdul Halim, Siti Nadiah; How, Fiona N.-F.","Crystal structure of benzyltriphenylphosphonium chloride monohydrate","Acta Crystallographica Section E","2015","71","6","o410","o411","10.1107/S2056989015009159","","","0.71073","MoKα","","0.0953","0.0669","","","0.1645","0.1939","","","","","","1.069","","","","has coordinates,has Fobs","137012","2020-10-21","18:00:00",""
"2240752","4.6064","0.0005","11.7569","0.0012","13.2291","0.0013","90","","96.76","0.005","90","","711.47","0.13","120.15","","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-2,6-dichlorophenol","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","FF2137","McDonald, Kyle J.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 4-amino-2,6-dichlorophenol","Acta Crystallographica Section E","2015","71","6","o406","","10.1107/S2056989015009172","","","1.54178","CuKα","","0.0364","0.0329","","","0.0876","0.0906","","","","","","1.0469","","","","has coordinates,has Fobs","137013","2020-10-21","18:00:00",""
"2240753","22.342","0.005","8.881","0.002","4.8462","0.0012","90","","90","","90","","961.6","0.4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>p</i>-Toluenesulfonylmethyl isocyanide","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C36 H36 N4 O8 S4 -","4","0.5","RZ5158","Bano, Huma; Yousuf, Sammer","Crystal structure of <i>p</i>-toluenesulfonylmethyl isocyanide","Acta Crystallographica Section E","2015","71","6","o412","","10.1107/S2056989015008816","","","0.71073","MoKα","","0.0642","0.0471","","","0.1092","0.1188","","","","","","1.113","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240754","13.7387","0.0012","5.2701","0.0005","14.759","0.003","90","","92.074","0.014","90","","1067.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibarium calcium iron(II) dialuminium tetradecafluoride","","- Al2 Ba2 Ca1.31 F14 Fe0.69 -","- Al2 Ba2 Ca1.31 F14 Fe0.69 -","- Al8 Ba8 Ca5.24 F56 Fe2.76 -","4","0.5","BR2250","Weil, Matthias","Crystal structure of the Fe-member of usovite","Acta Crystallographica Section E","2015","71","6","640","643","10.1107/S2056989015009251","","","0.71073","MoKα","","0.033","0.0315","","","0.077","0.0782","","","","","","1.092","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240755","13.7387","0.0012","5.2701","0.0005","14.759","0.003","90","","92.074","0.014","90","","1067.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al2 Ba2 Ca F14 Fe0.9 -","- Al2 Ba2 Ca F14 Fe0.901 -","- Al8 Ba8 Ca4 F56 Fe3.604 -","4","0.5","BR2250","Weil, Matthias","Crystal structure of the Fe-member of usovite","Acta Crystallographica Section E","2015","71","6","640","643","10.1107/S2056989015009251","","","0.71073","MoKα","","0.0331","0.0315","","","0.0772","0.0784","","","","","","1.099","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240756","15.8763","0.0011","18.5394","0.0011","10.8707","0.0006","90","","103.119","0.007","90","","3116.1","0.3","100.15","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichlorido(4-nitroaniline-κ<i>N</i>^1^)(piperidine-\ κ<i>N</i>)platinum(II)","","- C11 H17 Cl2 N3 O2 Pt -","- C11 H17 Cl2 N3 O2 Pt -","- C88 H136 Cl16 N24 O16 Pt8 -","8","1","RZ5159","Nguyen Thi Thanh, Chi; Hoang Van, Truong; Pham Van, Thong; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structure of <i>trans</i>-dichlorido(4-nitroaniline-κ<i>N</i>^1^)(piperidine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2015","71","6","644","646","10.1107/S2056989015009196","","","0.71073","MoKα","","0.0385","0.0315","","","0.0662","0.072","","","","","","1.101","","","","has coordinates,has Fobs","137016","2020-10-21","18:00:00",""
"2240757","5.6689","0.0005","32.039","0.003","6.6413","0.0005","90","","103.53","0.005","90","","1172.76","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzamido-2-hydroxybenzoic acid","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","HB7423","Shahid, Muhammad; Choudhary, Muhammad Aziz; Butt, Arshad Farooq; Tahir, Muhammad Nawaz; Salim, Muhammad","Crystal structure of 4-benzamido-2-hydroxybenzoic acid","Acta Crystallographica Section E","2015","71","6","o409","","10.1107/S2056989015009032","","","0.71073","MoKα","","0.101","0.0568","","","0.1298","0.147","","","","","","1.042","","","","has coordinates,has Fobs","137017","2020-10-21","18:00:00",""
"2240758","28.179","0.005","4.7108","0.0008","23.819","0.005","90","","92.957","0.007","90","","3157.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4<i>E</i>)-4-(8-Methoxy-2<i>H</i>-chromen-2-ylidene)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","IM2465","Salim, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Shahid, Muhammad; Malik, Khizar Iqbal","Crystal structure of (4<i>E</i>)-4-(8-methoxy-2<i>H</i>-chromen-2-ylidene)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o414","o415","10.1107/S2056989015009445","","","0.71073","MoKα","","0.0669","0.0422","","","0.1092","0.1272","","","","","","1.056","","","","has coordinates,has Fobs","137292","2020-10-21","18:00:00",""
"2240759","13.5449","0.0007","6.9385","0.0003","22.3824","0.0011","90","","94.767","0.002","90","","2096.25","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","μ-Cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicyanido-1κ<i>C</i>,2κ<i>C</i>-bis(quinolin-8-amine-1κ^2^<i>N</i>,<i>N</i>')-2-silver(I)-1-silver(II)","","- C21 H16 Ag2 N7 -","- C21 H16 Ag2 N7 -","- C84 H64 Ag8 N28 -","4","1","LH5764","Setifi, Zouaoui; Bernès, Sylvain; Pérez, Olivier; Setifi, Fatima; Rouag, Djamil-Azzeddine","Crystal structure of μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicyanido-1κ<i>C</i>,2κ<i>C</i>-bis(quinolin-8-amine-1κ^2^<i>N</i>,<i>N</i>')-2-silver(I)-1-silver(II): rare occurrence of a mixed-valence Ag^I,II^ compound","Acta Crystallographica Section E","2015","71","6","698","701","10.1107/S2056989015009664","","","0.71073","MoKα","","0.055","0.0344","","","0.0793","0.0878","","","","","","1.023","","","","has coordinates,has Fobs","137293","2020-10-21","18:00:00",""
"2240760","11.1969","0.0002","8.6439","0.0002","23.8844","0.0005","90","","94.549","0.002","90","","2304.37","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-Dimethyl-<i>N</i>-(5-methylpyridin-2-yl)propanamide","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","2","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2,2-dimethyl-<i>N</i>-(5-methylpyridin-2-yl)propanamide","Acta Crystallographica Section E","2015","71","6","o419","o420","10.1107/S2056989015009378","","","1.54184","CuKα","","0.0555","0.047","","","0.1379","0.1484","","","","","","1.038","","","","has coordinates,has Fobs","137294","2020-10-21","18:00:00",""
"2240761","11.7545","0.0004","12.508","0.0004","6.4014","0.0002","90","","113.507","0.001","90","","863.06","0.05","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium dizinc iron(III) tris(phosphate)","","- Fe1.33 Na1.67 O12 P3 Zn1.67 -","- Fe1.336 Na1.664 O12 P3 Zn1.664 -","- Fe5.344 Na6.656 O48 P12 Zn6.656 -","4","0.5","PK2551","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a sodium, zinc and iron(III)-based non-stoichiometric phosphate with an alluaudite-like structure: Na~1.67~Zn~1.67~Fe~1.33~(PO~4~)~3~","Acta Crystallographica Section E","2015","71","6","690","692","10.1107/S2056989015009767","","","0.71073","MoKα","","0.0182","0.0168","","","0.0455","0.0459","","","","","","1.189","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240762","11.5276","0.0009","12.7878","0.001","28.285","0.002","90","","90","","90","","4169.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[aqua-μ~3~-<i>L</i>-proline-tetra-μ~2~-<i>L</i>-proline-dicalcium] tetraiodide 1.7-hydrate]","","- C25 H50.41 Ca2 I4 N5 O12.71 -","- C25 H50.414 Ca2 I4 N5 O12.707 -","- C100 H201.656 Ca8 I16 N20 O50.828 -","4","1","GK2631","Lamberts, Kevin; Englert, Ulli","Crystal structures of coordination polymers from CaI~2~ and proline","Acta Crystallographica Section E","2015","71","6","675","680","10.1107/S2056989015009597","","","0.71073","MoKα","","0.0388","0.0357","","","0.0707","0.0718","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","137296","2020-10-21","18:00:00",""
"2240763","7.958","0.007","9.08","0.008","13.591","0.011","105.757","0.01","104.501","0.011","97.911","0.012","892.5","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquadi-m~2~-<i>DL</i>-proline-calcium] diiodide]","","- C10 H22 Ca I2 N2 O6 -","- C10 H22 Ca I2 N2 O6 -","- C20 H44 Ca2 I4 N4 O12 -","2","1","GK2631","Lamberts, Kevin; Englert, Ulli","Crystal structures of coordination polymers from CaI~2~ and proline","Acta Crystallographica Section E","2015","71","6","675","680","10.1107/S2056989015009597","","","0.71073","MoKα","","0.0706","0.0469","","","0.1051","0.1162","","","","","","1.017","","","","has coordinates,has Fobs","137296","2020-10-21","18:00:00",""
"2240764","6.0858","0.0002","8.7031","0.0003","22.2357","0.0006","81.882","0.002","87.806","0.003","88.007","0.003","1164.55","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Triaqua(4-cyanobenzoato-κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)zinc 4-cyanobenzoate","","- C22 H20 N4 O8 Zn -","- C22 H20 N4 O8 Zn -","- C44 H40 N8 O16 Zn2 -","2","1","WM5158","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Yılmaz Nayir, Gamze; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of triaqua(4-cyanobenzoato-κ^2^<i>O</i>,<i>O</i>')(nicotinamide-κ<i>N</i>^1^)zinc 4-cyanobenzoate","Acta Crystallographica Section E","2015","71","6","684","686","10.1107/S2056989015009743","","","0.71073","MoKα","","0.033","0.0304","","","0.0787","0.08","","","","","","1.047","","","","has coordinates,has Fobs","137297","2020-10-21","18:00:00",""
"2240765","10.642","0.005","7.043","0.005","14.535","0.005","90","","93.566","0.005","90","","1087.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{[(5-Nitrothiophen-2-yl)methylidene]amino}phenol","","- C11 H8 N2 O3 S -","- C11 H8 N2 O3 S -","- C44 H32 N8 O12 S4 -","4","1","HB7421","Koçak, Figen; Tanak, Hasan; Ağar, Erbil; Doğan, Onur Erman; Özdemir, Namık","Crystal structure of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol","Acta Crystallographica Section E","2015","71","6","o418","","10.1107/S2056989015009202","","","0.71069","MoKα","","0.0766","0.0635","","","0.0945","0.1004","","","","","","0.98","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240766","7.9839","0.0011","8.3434","0.0011","8.8441","0.0013","71.38","0.005","88.458","0.005","66.184","0.004","507.2","0.12","103","","103","","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-poly[[[diaquacobalt(II)]-bis(μ-hex-3-enedinitrile-κ^2^<i>N</i>:<i>N</i>')] bis(tetrafluoridoborate)]","","- C12 H16 B2 Co F8 N4 O2 -","- C12 H16 B2 Co F8.006 N4 O2 -","- C12 H16 B2 Co F8.006 N4 O2 -","1","0.5","WM5160","Son, Jung-Su; Lim, Sung-Chul; Lee, Hochun; Hong, Seung-Tae","Crystal structure of <i>catena</i>-poly[[[diaquacobalt(II)]-bis(μ-hex-3-enedinitrile-κ^2^<i>N</i>:<i>N</i>')] bis(tetrafluoridoborate)]","Acta Crystallographica Section E","2015","71","6","m135","m136","10.1107/S2056989015009548","","","0.71073","MoKα","","0.046","0.033","","0.0848","0.0843","0.068","","","","","","0.87","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240767","6.5661","0.001","10.2595","0.0018","11.349","0.0019","69.101","0.007","88.219","0.007","77.238","0.007","695.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-[(6-Chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C28 H26 Cl2 N4 O4 S2 -","2","1","","Jeyaseelan, S.; Rajegowda, H. R.; Britto Dominic Rayan, R.; Raghavendra Kumar, P.; Palakshamurthy, B. S.","Crystal structure of 1-[(6-chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2015","71","6","660","662","10.1107/S2056989015008099","","","0.71073","MoKα","","0.0625","0.0502","","","0.1373","0.1459","","","","","","1.088","","","","has coordinates,has Fobs","137300","2020-10-21","18:00:00",""
"2240768","12.1875","0.001","7.4438","0.0005","14.3141","0.0012","90","","101.549","0.004","90","","1272.3","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","HB7424","Salim, Muhammad; Tahir, Muhammad Nawaz; Munawar, Munawar Ali; Shahid, Muhammad; Shad, Hazoor Ahmad","Crystal structure of 4-chloro-2-{(<i>E</i>)-[(3,4-dimethylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","6","o416","","10.1107/S2056989015009354","","","0.71073","MoKα","","0.0705","0.0414","","","0.1014","0.1163","","","","","","1.043","","","","has coordinates,has Fobs","137301","2020-10-21","18:00:00",""
"2240769","17.4463","0.0016","5.3024","0.0004","22.778","0.002","90","","106.37","0.005","90","","2021.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","TK5368","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>E</i>)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o423","o424","10.1107/S2056989015009755","","","0.71073","MoKα","","0.1519","0.0565","","","0.109","0.1451","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","137303","2020-10-21","18:00:00",""
"2240770","11.3278","0.0004","8.397","0.0003","15.4427","0.0005","90","","109.053","0.001","90","","1388.43","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3-(3-methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C12 H12 N6 S -","- C12 H12 N6 S -","- C48 H48 N24 S4 -","4","1","HB7427","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.","Crystal structure of 4-amino-3-(3-methyl-5-phenyl-1<i>H</i>-pyrazol-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","6","o417","","10.1107/S205698901500938X","","","1.54178","CuKα","","0.0376","0.0359","","","0.1004","0.1021","","","","","","1.093","","","","has coordinates,has Fobs","137304","2020-10-21","18:00:00",""
"2240771","8.4919","0.0016","9.978","0.002","11.9268","0.0019","90","","128.511","0.01","90","","790.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium aquabis(sulfato)lanthanate(III)","","- H6 La N O9 S2 -","- H2 La N O9 S2 -","- H8 La4 N4 O36 S8 -","4","1","WM5148","Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude","Crystal structure of NH~4~[La(SO~4~)~2~(H~2~O)]","Acta Crystallographica Section E","2015","71","6","663","666","10.1107/S2056989015009457","","","0.71073","MoKα","","0.0275","0.0267","","","0.0799","0.0811","","","","","","1.256","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240772","11.743","0.0006","17.3066","0.0009","14.1086","0.0008","90","","98.154","0.001","90","","2838.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua{μ-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate","","- C25 H25 Cl Cu2 N5 O10.5 -","- C25 H25 Cl Cu2 N5 O10.5 -","- C100 H100 Cl4 Cu8 N20 O42 -","4","1","XU5850","Zhang, Xin; Li, Yan-Tuan; Wu, Zhi-Yong","Crystal structure of aqua{μ-<i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>'-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate","Acta Crystallographica Section E","2015","71","6","667","670","10.1107/S2056989015009391","","","0.71073","MoKα","","0.0793","0.0503","","","0.1021","0.1142","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2240773","8.9818","0.0011","6.8899","0.0007","14.685","0.0015","90","","93.565","0.009","90","","907","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","tryptaminium (2,4-dichlorophenoxy)acetate","2-(1<i>H</i>-Indol-3-yl)ethanaminium (2,4-dichlorophenoxy)acetate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C36 H36 Cl4 N4 O6 -","2","1","SJ5460","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-dichlorophenoxy)acetic and (3,5-dichlorophenoxy)acetic acids","Acta Crystallographica Section E","2015","71","6","671","674","10.1107/S205698901500907X","","","0.71073","MoKα","","0.0847","0.0677","","","0.1628","0.1868","","","","","","1.064","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240774","9.5154","0.0008","6.1951","0.0005","15.3646","0.0009","90","","102.579","0.007","90","","883.99","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","tryptaminium (3,5-dichlorphenoxy)acetate","2-(1<i>H</i>-Indol-3-yl)ethanaminium (3,5-dichlorophenoxy)acetate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C36 H36 Cl4 N4 O6 -","2","1","SJ5460","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the anhydrous tryptaminium salts of the isomeric (2,4-dichlorophenoxy)acetic and (3,5-dichlorophenoxy)acetic acids","Acta Crystallographica Section E","2015","71","6","671","674","10.1107/S205698901500907X","","","0.71073","MoKα","","0.0518","0.0417","","","0.0979","0.1051","","","","","","1.076","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240775","10.63","0.0012","11.015","0.0012","17.1771","0.0018","90","","104.828","0.002","90","","1944.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,4,7,10-Tetraazacyclododecane-κ^4^<i>N</i>)bis(tricyanomethanido-κ<i>N</i>)nickel","","- C16 H20 N10 Ni -","- C16 H20 N10 Ni -","- C64 H80 N40 Ni4 -","4","1","SJ5461","Luo, Jun; Zhang, Xin-Rong; Qiu, Li-Juan; Yang, Feng; Liu, Bao-Shu","Crystal structures of (1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)bis(tricyanomethanido-κ<i>N</i>)nickel and (1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(tricyanomethanido-κ<i>N</i>)copper tricyanomethanide","Acta Crystallographica Section E","2015","71","6","693","697","10.1107/S2056989015009524","","","0.71073","MoKα","","0.0754","0.0525","","","0.1243","0.136","","","","","","1.046","","","","has coordinates,has Fobs","137308","2020-10-21","18:00:00",""
"2240776","7.4074","0.0015","11.552","0.002","11.625","0.002","89.187","0.003","88.236","0.003","78.579","0.003","974.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(1,4,7,10-Tetraazacyclododecane-κ^4^<i>N</i>)(tricyanomethanido-κ<i>N</i>)copper tricyanomethanide","","- C16 H20 Cu N10 -","- C16 H20 Cu N10 -","- C32 H40 Cu2 N20 -","2","1","SJ5461","Luo, Jun; Zhang, Xin-Rong; Qiu, Li-Juan; Yang, Feng; Liu, Bao-Shu","Crystal structures of (1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)bis(tricyanomethanido-κ<i>N</i>)nickel and (1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(tricyanomethanido-κ<i>N</i>)copper tricyanomethanide","Acta Crystallographica Section E","2015","71","6","693","697","10.1107/S2056989015009524","","","0.71073","MoKα","","0.0445","0.0333","","","0.0884","0.1095","","","","","","1.134","","","","has coordinates,has Fobs","137308","2020-10-21","18:00:00",""
"2240777","9.127","0.002","10.1417","0.0012","11.355","0.003","114.526","0.006","91.556","0.005","102.044","0.005","927.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-{[(<i>E</i>)-(4-{[(2<i>Z</i>)-2,3-Dihydro-1,3-thiazol-2-ylidene]sulfamoyl}phenyl)iminiumyl]methyl}naphthalen-2-olate","","- C20 H15 N3 O3 S2 -","- C20 H15 N3 O3 S2 -","- C40 H30 N6 O6 S4 -","2","1","PK2552","Shahid, Muhammad; Tahir, Muhammad Nawaz; Salim, Muhammad; Munawar, Munawar Ali; Shad, Hazoor Ahmad","1-{[(<i>E</i>)-(4-{[(2<i>Z</i>)-2,3-Dihydro-1,3-thiazol-2-ylidene]sulfamoyl}phenyl)iminiumyl]methyl}naphthalen-2-olate","Acta Crystallographica Section E","2015","71","6","o421","o422","10.1107/S2056989015009640","","","0.71073","MoKα","","0.0992","0.0486","","","0.1064","0.1266","","","","","","1.006","","","","has coordinates,has Fobs","137309","2020-10-21","18:00:00",""
"2240778","20.072","0.007","14.19","0.005","7.079","0.003","90","","110.255","0.004","90","","1891.6","1.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,13,14-Triazadibenz[<i>a</i>,<i>j</i>]anthracene 1,1,2,2-tetrachloroethane monosolvate","","- C21 H13 Cl4 N3 -","- C21 H13 Cl4 N3 -","- C84 H52 Cl16 N12 -","4","0.5","","Koizumi, Take-aki; Hariu, Tomohiro; Sei, Yoshihisa","Crystal structure of 1,13,14-triazadibenz[<i>a</i>,<i>j</i>]anthracene 1,1,2,2-tetrachloroethane monosolvate","Acta Crystallographica Section E","2015","71","6","681","683","10.1107/S2056989015009263","","","0.71073","MoKα","","","0.0296","","","","0.0806","","","","","","1.057","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240779","6.356","0.0004","12.3927","0.0006","14.2084","0.0007","96.348","0.004","92.846","0.004","93.246","0.004","1108.76","0.1","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","4-(Trimethylgermyl)benzoic acid","","- C10 H14 Ge O2 -","- C10 H14 Ge O2 -","- C40 H56 Ge4 O8 -","4","2","WM5155","Knauer, Lena; Barth, Eva R.; Golz, Christopher; Strohmann, Carsten","Crystal structure of 4-(trimethylgermyl)benzoic acid","Acta Crystallographica Section E","2015","71","6","687","689","10.1107/S2056989015009160","","","0.71073","MoKα","","0.0659","0.0363","","","0.0724","0.0834","","","","","","1.015","","","","has coordinates,has Fobs","137311","2020-10-21","18:00:00",""
"2240780","30.613","0.0012","16.5078","0.0004","21.7975","0.0006","90","","97.129","0.002","90","","10930.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']-μ-chlorido-chlorido-1κ<i>Cl</i>-(1-phenylthiourea-2κ<i>S</i>)disilver acetonitrile hemisolvate","","- C116 H107 Ag4 Cl4 N5 P8 S2 -","- C116 H107 Ag4 Cl4 N5 P8 S2 -","- C464 H428 Ag16 Cl16 N20 P32 S8 -","4","0.5","","Nimthong-Roldán, Arunpatcha; Ratthiwal, Janejira; Wattanakanjana, Yupa","Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']-μ-chlorido-chlorido-1κ<i>Cl</i>-(1-phenylthiourea-2κ<i>S</i>)disilver acetonitrile hemisolvate","Acta Crystallographica Section E","2015","71","6","m133","m134","10.1107/S2056989015008981","","","0.71073","MoKα","","0.0422","0.0314","","","0.0698","0.0758","","","","","","1.089","","","","has coordinates,has Fobs","137312","2020-10-21","18:00:00",""
"2240781","8.568","0.0007","6.102","0.0005","15.987","0.0006","90","","91.191","0.005","90","","835.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-((1<i>E</i>)-{(<i>E</i>)-2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazin-1-ylidene}methyl)naphthalen-2-ol","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","0.5","HB7408","Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Fleck, Michel; Paramasivam, Sugumar; Nanjappagounder, Ponnuswamy Mondikalipudur","Crystal structure of 1-((1<i>E</i>)-{(<i>E</i>)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-ylidene}methyl)naphthalen-2-ol","Acta Crystallographica Section E","2015","71","6","o428","","10.1107/S205698901500972X","","","0.71073","MoKα","","0.007","0.0069","","","0.019","0.019","","","","","","1.033","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240782","12.388","0.008","14.903","0.01","12.132","0.007","90","","98.02","0.02","90","","2218","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(tetramethyldiphosphinedisulfide)copper(I) tetrafluoroborate","Bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate","","- C8 H24 B Cu F4 P4 S4 -","- C8 H24 B Cu F4 P4 S4 -","- C32 H96 B4 Cu4 F16 P16 S16 -","4","1","LH5755","Corfield, Peter W. R.; Seeler, Uwe","Crystal structure of bis(1,1,2,2-tetramethyldiphosphane-1,2-dithione-κ^2^<i>S</i>,<i>S</i>')copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2015","71","6","716","719","10.1107/S2056989015009913","","","0.7107","MoKα","","0.0801","0.0399","","","0.0891","0.102","","","","","","1.066","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240783","22.7886","0.0012","7.1133","0.0003","25.5388","0.0013","90","","113.664","0.003","90","","3791.8","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Carbamothioyl-2-methylbenzamide","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C144 H160 N32 O16 S16 -","16","2","","Adam, Farook; Ameram, Nadiah; Tan, Wai Mun","Crystal structure of <i>N</i>-carbamothioyl-2-methylbenzamide","Acta Crystallographica Section E","2015","71","6","o425","","10.1107/S2056989015009585","","","0.71073","MoKα","","0.054","0.0428","","","0.103","0.11","","","","","","1.095","","","","has coordinates,has Fobs","137442","2020-10-21","18:00:00",""
"2240784","4.4622","0.0001","8.2664","0.0002","27.44","0.0005","90","","90","","90","","1012.16","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-iodoindolin-2-one","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","GK2630","Zhang, Man; Shen, Yu-Xiang; Fang, Qi; Wang, Lei; Li, Da-Zhi","Crystal structure of 1-ethyl-5-iodoindolin-2-one","Acta Crystallographica Section E","2015","71","6","712","715","10.1107/S2056989015009937","","","0.71073","MoKα","","0.0215","0.0208","","","0.0496","0.0499","","","","","","1.211","","","","has coordinates,has Fobs","137443","2020-10-21","18:00:00",""
"2240785","4.6346","0.0004","5.42","0.0005","22.7564","0.0019","88.386","0.002","88.357","0.002","78.34","0.002","559.46","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-Undec-2-enoic acid","","- C11 H20 O2 -","- C11 H20 O2 -","- C22 H40 O4 -","2","1","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Crystal structure of (<i>E</i>)-undec-2-enoic acid","Acta Crystallographica Section E","2015","71","6","o426","o427","10.1107/S2056989015009469","","","0.71073","MoKα","","0.0537","0.0466","","","0.1289","0.1343","","","","","","1.1","","","","has coordinates,has Fobs","137444","2020-10-21","18:00:00",""
"2240786","6.519","0.005","16.698","0.005","12.019","0.005","90","","90.852","0.005","90","","1308.2","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)dinickel(II)]","","- C14 H8 N6 Ni2 -","- C14 H8 N6 Ni2 -","- C56 H32 N24 Ni8 -","4","0.5","WM5162","Zuo, Minghui; Wang, Haiyu; Xu, Jie; Zhu, Lingling; Cui, Shuxin","Crystal structure of poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)dinickel(II)]","Acta Crystallographica Section E","2015","71","6","709","711","10.1107/S2056989015009706","","","0.71069","MoKα","","0.0332","0.0281","","","0.0705","0.0737","","","","","","1.103","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240787","15.0457","0.0004","5.23947","0.0001","22.1944","0.0005","90","","95.7007","0.0007","90","","1740.96","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{<i>S</i>-hexyl 3-[4-(dimethylamino)benzylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}copper(II)","","- C32 H48 Cu N6 S4 -","- C32 H48 Cu N6 S4 -","- C64 H96 Cu2 N12 S8 -","2","0.5","","Zangrando, E.; Begum, M. S.; Miyatake, R.; Sheikh, M. C.; Hossain, Md. M.","Crystal structure of bis{<i>S</i>-hexyl 3-[4-(dimethylamino)benzylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}copper(II)","Acta Crystallographica Section E","2015","71","6","706","708","10.1107/S2056989015009342","","","0.71075","MoKα","","","0.0359","","","","0.1017","","","","","","1.101","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240788","10.645","0.004","14.49","0.006","19.217","0.007","90","","105.565","0.006","90","","2855.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium}","","- C54 H72 I2 Li2 N4 -","- C54 H72 I2 Li2 N4 -","- C108 H144 I4 Li4 N8 -","2","0.5","","Wan, Hui-Da; Hong, Jian-Quan","Crystal structure of di-μ-iodido-bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]lithium}","Acta Crystallographica Section E","2015","71","6","m137","m138","10.1107/S2056989015009822","","","0.71073","MoKα","","0.0915","0.0537","","","0.1014","0.1118","","","","","","1.003","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240789","10.8581","0.0008","7.1145","0.0005","25.998","0.002","90","","93.9","0.003","90","","2003.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua[(<i>E</i>)-<i>N</i>'-(5-bromo-2-oxidobenzylidene-κ<i>O</i>)benzohydrazidato-κ^2^<i>O</i>,<i>N</i>']dioxidomolybdenum(VI) dimethylformamide monosolvate","","- C17 H18 Br Mo N3 O6 -","- C17 H18 Br Mo N3 O6 -","- C68 H72 Br4 Mo4 N12 O24 -","4","1","PK2550","Sudheer, Radhika; Sithambaresan, M.; Sajitha, N. R.; Manoj, E.; Kurup, M. R. Prathapachandra","Crystal structure of aqua[(<i>E</i>)-<i>N</i>'-(5-bromo-2-oxidobenzylidene-κ<i>O</i>)benzohydrazidato-κ^2^<i>O</i>,<i>N</i>']dioxidomolybdenum(VI) dimethylformamide monosolvate","Acta Crystallographica Section E","2015","71","6","702","705","10.1107/S2056989015009639","","","0.71073","MoKα","","0.067","0.0428","","","0.0874","0.096","","","","","","1.078","","","","has coordinates,has Fobs","137448","2020-10-21","18:00:00",""
"2240790","12.0411","0.0013","8.9698","0.0009","15.5832","0.0018","90","","110.721","0.003","90","","1574.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-\ one","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","HB7434","Akhazzane, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>E</i>)-4-ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o432","","10.1107/S205698901501004X","","","0.71073","MoKα","","0.0843","0.0462","","","0.109","0.1292","","","","","","1.008","","","","has coordinates,has Fobs","137551","2020-10-21","18:00:00",""
"2240791","6.679","0.005","11.679","0.005","16.503","0.005","90","0.005","90","0.005","90","0.005","1287.3","1.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Bis(prop-2-yn-1-yl) 5-nitroisophthalate","Bis(prop-2-yn-1-yl) 5-nitrobenzene-1,3-dicarboxylate","","- C14 H9 N O6 -","- C14 H9 N O6 -","- C56 H36 N4 O24 -","4","0.5","","Ezhilarasi, K. S.; Selvarani, Sivasamy; Rajakumar, Perumal; Revathi, B. K.; Usha, G.","Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate","Acta Crystallographica Section E","2015","71","6","o435","","10.1107/S2056989015009846","","","0.71073","MoKα","","0.0436","0.0381","","","0.1244","0.1355","","","","","","0.726","","","","has coordinates,has Fobs","137552","2020-10-21","18:00:00",""
"2240792","15.7839","0.0009","3.9451","0.0002","16.6079","0.0009","90","","101.63","0.003","90","","1012.93","0.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","[1,1'-Biphenyl]-2,2'-dicarbonitrile","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","0.5","WM5163","Kang, Gihaeng; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun","Crystal structure of [1,1'-biphenyl]-2,2'-dicarbonitrile","Acta Crystallographica Section E","2015","71","6","o430","","10.1107/S2056989015009561","","","0.71073","MoKα","","0.0485","0.042","","","0.1097","0.1156","","","","","","1.094","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240793","6.7342","0.0002","7.3762","0.0002","13.2917","0.0005","79.386","0.002","80.104","0.002","68.908","0.001","601.44","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-Allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one","","- C11 H9 N O S3 -","- C11 H9 N O S3 -","- C22 H18 N2 O2 S6 -","2","1","IM2466","El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>E</i>)-3-allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one","Acta Crystallographica Section E","2015","71","6","o433","o434","10.1107/S2056989015010166","","","0.71073","MoKα","","0.0677","0.0427","","","0.0992","0.1112","","","","","","1.065","","","","has coordinates,has Fobs","137554","2020-10-21","18:00:00",""
"2240794","4.202","0.002","14.654","0.006","12.245","0.006","90","","92.758","0.018","90","","753.1","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3,6,8-Tetrabromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H9 Br4 N -","- C14 H9 Br4 N -","- C28 H18 Br8 N2 -","2","1","","Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","Crystal structure of 1,3,6,8-tetrabromo-9-ethyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2015","71","6","o373","","10.1107/S2056989015010117","","","0.71075","MoKα","","","0.0556","","","","0.1298","","","","","","1.011","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240795","11.2595","0.0007","11.2697","0.0009","14.538","0.001","70.562","0.006","87.33","0.007","82.262","0.006","1723.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C68 H76 N12 O12 S4 -","4","2","SU5131","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","Crystal structure of (<i>E</i>)-<i>N</i>-{2-[2-(4-methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2015","71","6","730","733","10.1107/S2056989015009330","","","0.71073","MoKα","","0.0679","0.0467","","","0.1022","0.1145","","","","","","1.067","","","","has coordinates,has Fobs","137556","2020-10-21","18:00:00",""
"2240796","7.6057","0.0002","8.2463","0.0002","12.8657","0.0002","73.901","0.001","86.059","0.001","83.549","0.001","769.77","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","oryzalin","4-Dipropylamino-3,5-dinitrobenzenesulfonamide","","- C12 H18 N4 O6 S -","- C12 H18 N4 O6 S -","- C24 H36 N8 O12 S2 -","2","1","SJ5462","Kang, Gihaeng; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho","Crystal structure of oryzalin","Acta Crystallographica Section E","2015","71","6","o429","","10.1107/S205698901500955X","","","0.71073","MoKα","","0.0354","0.033","","","0.0874","0.0895","","","","","","1.053","","","","has coordinates,has Fobs","137557","2020-10-21","18:00:00",""
"2240797","12.0335","0.0002","12.5495","0.0002","14.2095","0.0003","90","","110.619","0.001","90","","2008.38","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","","- C17 H20 N6 O10 -","- C17 H20 N6 O10 -","- C68 H80 N24 O40 -","4","1","SU5140","Gomathi, Jeganathan; Kalaivani, Doraisamyraja","Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2015","71","6","723","725","10.1107/S2056989015010075","","","0.71073","MoKα","","0.0379","0.033","","","0.0893","0.0943","","","","","","1.018","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240798","18.8045","0.0016","5.2529","0.0004","7.2719","0.0006","90","","102.219","0.001","90","","702.03","0.1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Seleno-<i>L</i>-cystine dihydrochloride","(<i>R</i>,<i>R</i>)-1,1'-Dicarboxy-2,2'-(diselanediyl)diethanaminium dichloride","","- C6 H14 Cl2 N2 O4 Se2 -","- C6 H14 Cl2 N2 O4 Se2 -","- C12 H28 Cl4 N4 O8 Se4 -","2","0.5","WM5154","Görbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf","Crystal structure of seleno-<small>L</small>-cystine dihydrochloride","Acta Crystallographica Section E","2015","71","6","726","729","10.1107/S205698901501021X","","","0.71073","MoKα","","0.0242","0.0233","","","0.0613","0.0616","","","","","","1.103","","","","has coordinates,has Fobs","137559","2020-10-21","18:00:00",""
"2240799","7.1499","0.0002","10.8807","0.0002","26.6877","0.0006","90","","90.649","0.001","90","","2076.06","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(3,5-diamino-4<i>H</i>-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate","","- C32 H36 Co3 N14 O22 -","- C32 H36 Co3 N14 O22 -","- C64 H72 Co6 N28 O44 -","2","0.5","ZL2619","Johnson, Atim; Mbonu, Justina; Hussain, Zahid; Loh, Wan-Sin; Fun, Hoong-Kun","Crystal structure of tetraaquabis(3,5-diamino-4<i>H</i>-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate","Acta Crystallographica Section E","2015","71","6","m139","m140","10.1107/S2056989015010014","","","0.71073","MoKα","","0.0281","0.0244","","","0.0659","0.0681","","","","","","1.051","","","","has coordinates,has Fobs","137560","2020-10-21","18:00:00",""
"2240800","9.5867","0.0005","15.9077","0.0008","10.8902","0.0006","90","","94.787","0.001","90","","1654.99","0.15","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (2<i>Z</i>)-3-(4-chlorophenyl)-2-[(3-methyl-1<i>H</i>-indol-1-yl)methyl]prop-2-enoate","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","SU5135","Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.","Crystal structure of methyl (2<i>Z</i>)-3-(4-chlorophenyl)-2-[(3-methyl-1<i>H</i>-indol-1-yl)methyl]prop-2-enoate","Acta Crystallographica Section E","2015","71","6","720","722","10.1107/S2056989015010002","","","0.71073","MoKα","","0.0535","0.0444","","","0.1184","0.1266","","","","","","1.022","","","","has coordinates,has Fobs","137563","2020-10-21","18:00:00",""
"2240801","10.6332","0.0005","11.6961","0.0004","12.7934","0.0006","90","","111.93","0.006","90","","1475.95","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-Methyl-3-nitrobenzoic anhydride","2-Methyl-3-nitrobenzoic anhydride","","- C16 H12 N2 O7 -","- C16 H12 N2 O7 -","- C64 H48 N8 O28 -","4","0.5","LH5768","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","Crystal structure of 2-methyl-3-nitrobenzoic anhydride","Acta Crystallographica Section E","2015","71","7","o451","","10.1107/S2056989015010531","","","1.5418","CuKα","","0.0616","0.0592","","","0.1595","0.1625","","","","","","1.082","","","","has coordinates,has Fobs","138432","2020-10-21","18:00:00",""
"2240802","26.4235","0.0009","6.1033","0.0002","16.8611","0.0006","90","","113.272","0.001","90","","2497.96","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4<i>Z</i>)-4-[(Dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","HB7425","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Khodairy, Ahmed","Crystal structure of (4<i>Z</i>)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde","Acta Crystallographica Section E","2015","71","7","o440","o441","10.1107/S2056989015010038","","","1.54178","CuKα","","0.0432","0.0374","","","0.0987","0.1043","","","","","","1.043","","","","has coordinates,has Fobs","138434","2020-10-21","18:00:00",""
"2240803","9.9103","0.0004","12.5791","0.0004","10.9772","0.0005","90","","94.183","0.002","90","","1364.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chlorophenyl <i>N</i>-(3,5-dinitrophenyl)carbamate","","- C13 H8 Cl N3 O6 -","- C13 H8 Cl N3 O6 -","- C52 H32 Cl4 N12 O24 -","4","1","SU5141","Raja, Rajamani; Sathiyaraj, Subramaniyan; Ali, B. Mohamad; Nasar, A. Sultan","Crystal structures of 4-chlorophenyl <i>N</i>-(3,5-dinitrophenyl)carbamate and phenyl <i>N</i>-(3,5-dinitrophenyl)carbamate","Acta Crystallographica Section E","2015","71","7","744","747","10.1107/S2056989015010245","","","0.71073","MoKα","","0.0431","0.0326","","","0.0793","0.0864","","","","","","1.04","","","","has coordinates,has Fobs","138435","2020-10-21","18:00:00",""
"2240804","12.2549","0.0004","8.8717","0.0004","12.147","0.0005","90","","91.673","0.002","90","","1320.08","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Phenyl <i>N</i>-(3,5-dinitrophenyl)carbamate","","- C13 H9 N3 O6 -","- C13 H9 N3 O6 -","- C52 H36 N12 O24 -","4","1","SU5141","Raja, Rajamani; Sathiyaraj, Subramaniyan; Ali, B. Mohamad; Nasar, A. Sultan","Crystal structures of 4-chlorophenyl <i>N</i>-(3,5-dinitrophenyl)carbamate and phenyl <i>N</i>-(3,5-dinitrophenyl)carbamate","Acta Crystallographica Section E","2015","71","7","744","747","10.1107/S2056989015010245","","","0.71073","MoKα","","0.0555","0.0443","","","0.112","0.1216","","","","","","1.029","","","","has coordinates,has Fobs","138435","2020-10-21","18:00:00",""
"2240805","6.2679","0.0008","17.5289","0.0018","16.389","0.0013","90","","100.331","0.01","90","","1771.5","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O2 S -","- C17 H27 N O2 S -","- C68 H108 N4 O8 S4 -","4","1","FK2088","Knauer, Lena; Golz, Christopher; Strohmann, Carsten","Crystal structure of 1-[(2,4,6-triisopropylphenyl)sulfonyl]aziridine","Acta Crystallographica Section E","2015","71","7","o438","o439","10.1107/S2056989015010221","","","0.71073","MoKα","","0.0798","0.0533","","","0.1162","0.1412","","","","","","1.069","","","","has coordinates,has Fobs","138436","2020-10-21","18:00:00",""
"2240806","12.3265","0.0002","9.96026","0.00016","12.7021","0.0003","90","","100.598","0.0018","90","","1532.9","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Huang, Ke-Bin; Zhang, Gui-Jie","Cystal structure of <i>N</i>-[2-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2015","71","7","o452","","10.1107/S2056989015010555","","","0.7107","MoKα","","0.0518","0.0427","","","0.1075","0.1148","","","","","","1.046","","","","has coordinates,has Fobs","138437","2020-10-21","18:00:00",""
"2240807","21.2196","0.0004","19.0886","0.0002","15.2564","0.0002","90","","113.262","0.002","90","","5677.29","0.17","293","2","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Gossypol","1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde","","- C30 H30 O8 -","- C30 H30 O8 -","- C240 H240 O64 -","8","1","HB7412","Honkeldieva, Muhabbat; Kunafiev, Rishad; Hamidov, Hayrullo I.","Redetermined structure of gossypol (<i>P</i>3 polymorph)","Acta Crystallographica Section E","2015","71","7","o442","o443","10.1107/S205698901500941X","","","1.54184","CuKα","","0.0608","0.0474","","","0.1516","0.1612","","","","","","1.113","","","","has coordinates,has Fobs","138438","2020-10-21","18:00:00",""
"2240808","7.1612","0.0006","12.537","0.002","26.906","0.004","90","","91.331","0.008","90","","2415","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tetramethyltetrathiafulvalenium (1<i>S</i>)-camphor-10-sulfonate dihydrate","Tetramethyltetrathiafulvalenium (<i>S</i>)-(7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-yl)methanesulfonate dihydrate","","- C20 H31 O6 S5 -","- C20 H31 O6 S5 -","- C80 H124 O24 S20 -","4","2","BG2555","Sommer, Mathieu; Allain, Magali; Mézière, Cécile; Pop, Flavia; Giffard, Michel","Crystal structure of tetramethyltetrathiafulvalenium (1<i>S</i>)-camphor-10-sulfonate dihydrate","Acta Crystallographica Section E","2015","71","7","748","751","10.1107/S2056989015010294","","","0.71073","MoKα","","0.0714","0.0424","","","0.0975","0.1066","","","","","","1.085","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240809","11.509","0.003","5.929","0.0018","25.751","0.008","90","","98.307","0.003","90","","1738.7","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-{(<i>R</i>)-4-[(<i>tert</i>-Butoxycarbonyl)amino]-3-oxo-1,2-thiazolidin-2-yl}-3-methylbutanoate","","- C14 H24 N2 O5 S -","- C14 H24 N2 O5 S -","- C56 H96 N8 O20 S4 -","4","2","SU5136","Ruddraraju, Kasi Viswanatharaju; Hillebrand, Roman; Barnes, Charles L.; Gates, Kent S.","Crystal structure of methyl (<i>S</i>)-2-{(<i>R</i>)-4-[(<i>tert</i>-butoxycarbonyl)amino]-3-oxo-1,2-thiazolidin-2-yl}-3-methylbutanoate: a chemical model for oxidized protein tyrosine phosphatase 1B (PTP1B)","Acta Crystallographica Section E","2015","71","7","741","743","10.1107/S2056989015010051","","","0.71073","MoKα","","0.053","0.0398","","","0.0804","0.0857","","","","","","1.054","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240810","9.6472","0.0004","9.7084","0.0004","12.2323","0.0005","90","","90","","90","","1145.66","0.08","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","(1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","ZS2333","Krishnamurthy, Suvratha; Jalli, Venkataprasad; Vagvala, Tarun Chand; Moriguchi, Tetsuji; Tsuge, Akihiko","Crystal structure of (1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","Acta Crystallographica Section E","2015","71","7","o449","o450","10.1107/S2056989015010476","","","0.71073","MoKα","","0.0306","0.0299","","","0.0799","0.0807","","","","","","1.025","","","","has coordinates,has Fobs","138441","2020-10-21","18:00:00",""
"2240811","11.212","0.002","8.8943","0.0016","12.258","0.002","90","","105.345","0.002","90","","1178.8","0.4","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","HB7435","Krishnamurthy, Suvratha; Jalli, Venkataprasad; Vagvala, Tarun Chand; Moriguchi, Tetsuji; Tsuge, Akihiko","Crystal structure of benzyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate","Acta Crystallographica Section E","2015","71","7","o447","o448","10.1107/S2056989015010464","","","0.71073","MoKα","","0.0279","0.0272","","","0.0719","0.0733","","","","","","1.059","","","","has coordinates,has Fobs","138442","2020-10-21","18:00:00",""
"2240812","7.9791","0.0002","8.2031","0.0002","11.8405","0.0003","81.987","0.001","87.975","0.001","80.85","0.001","757.6","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C30 H36 N4 O6 S2 -","2","1","IS5401","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Khodairy, Ahmed; Ahmed, Eman A.","Crystal structure of ethyl 4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2015","71","7","o444","o445","10.1107/S2056989015010026","","","1.54178","CuKα","","0.0405","0.0388","","","0.0998","0.1013","","","","","","1.083","","","","has coordinates,has Fobs","138443","2020-10-21","18:00:00",""
"2240813","5.3642","0.0003","10.3773","0.0006","12.1784","0.0007","99.572","0.005","95.498","0.005","104.645","0.005","639.98","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C24 H38 N2 O4 S2 -","2","1","IS5399","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Crystal structure of <i>N</i>,<i>N</i>-dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine","Acta Crystallographica Section E","2015","71","7","757","759","10.1107/S2056989015010233","","","1.5418","CuKα","","0.0449","0.0433","","","0.1185","0.1205","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","138444","2020-10-21","18:00:00",""
"2240814","25.6048","0.0018","7.5295","0.0007","18.2317","0.0013","90","","111.08","0.005","90","","3279.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane; 4-chloro-3,5-dimethylphenol","","- C16 H25 Cl N4 O -","- C16 H25 Cl N4 O -","- C128 H200 Cl8 N32 O8 -","8","1","ZS2335","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD)‒4-chloro-3,5-dimethylphenol (1/1)","Acta Crystallographica Section E","2015","71","7","737","740","10.1107/S2056989015010257","","","0.71073","MoKα","","0.0518","0.04","","","0.1015","0.1066","","","","","","1.022","","","","has coordinates,has Fobs","138445","2020-10-21","18:00:00",""
"2240815","29.694","0.005","7.7536","0.0013","13.125","0.002","90","","98.673","0.012","90","","2987.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,4-Dichloroanilinium hydrogen phthalate","3,4-Dichloroanilinium 2-carboxybenzoate","","- C14 H11 Cl2 N O4 -","- C14 H11 Cl2 N O4 -","- C112 H88 Cl16 N8 O32 -","8","1","GK2633","Shahid, Muhammad; Tahir, Muhammad Nawaz; Salim, Muhammad; Munawar, Munawar Ali","Crystal structure of 3,4-dichloroanilinium hydrogen phthalate","Acta Crystallographica Section E","2015","71","7","o446","","10.1107/S2056989015010300","","","0.71073","MoKα","","0.1075","0.0486","","","0.1039","0.1333","","","","","","1.017","","","","has coordinates,has Fobs","138446","2020-10-21","18:00:00",""
"2240816","13.4982","0.0006","8.347","0.0004","17.7173","0.0008","90","","101.51","0.001","90","","1956.06","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-Amino-4-(3-bromo-4-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile dimethyl sulfoxide solvate","","- C17 H19 Br N4 O3 S -","- C17 H19 Br N4 O3 S -","- C68 H76 Br4 N16 O12 S4 -","4","1","IS5403","Yousuf, Sammer; Bano, Huma; Muhammad, Munira Taj; Khan, Khalid Mohammed","Crystal structure of 6-amino-4-(3-bromo-4-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2015","71","7","o453","o454","10.1107/S2056989015010543","","","0.71073","MoKα","","0.0681","0.0515","","","0.1367","0.1493","","","","","","1.038","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240817","4.995","0.006","8.172","0.008","22.94","0.03","90","","93.48","0.03","90","","934.7","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl <i>N</i>-{(<i>E</i>)-1-[2-(4-cyanobenzylidene)-1-methylhydrazinyl]-3-hydroxy-1-oxopropan-2-yl}carbamate","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","1","HG5443","Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Different hydrogen-bonded chains in the crystal structures of three alkyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates","Acta Crystallographica Section E","2015","71","7","752","756","10.1107/S2056989015010440","","","0.71073","MoKα","","0.1241","0.0951","","","0.2454","0.2783","","","","","","1.098","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240818","5.348","0.003","7.883","0.005","20.903","0.014","90","","92.763","0.001","90","","880.2","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>tert</i>-Butyl <i>N</i>-{(<i>E</i>)-1-[2-(4-cyanobenzylidene)-1-methylhydrazinyl]-3-hydroxy-1-oxopropan-2-yl}carbamate","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","1","HG5443","Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Different hydrogen-bonded chains in the crystal structures of three alkyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates","Acta Crystallographica Section E","2015","71","7","752","756","10.1107/S2056989015010440","","","0.71073","MoKα","","0.0664","0.0573","","","0.1871","0.1936","","","","","","1.129","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240819","10.454","0.007","10.571","0.007","15.664","0.011","90","","101.172","0.012","90","","1698","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamate","","- C16 H23 N3 O4 -","- C16 H23 N3 O4 -","- C64 H92 N12 O16 -","4","1","HG5443","Noguiera, Thais C. M.; Pinheiro, Alessandra C.; Wardell, James L.; de Souza, Marcus V. N.; Abberley, Jordan P.; Harrison, William T. A.","Different hydrogen-bonded chains in the crystal structures of three alkyl <i>N</i>-[(<i>E</i>)-1-(2-benzylidene-1-methylhydrazinyl)-3-hydroxy-1-oxopropan-2-yl]carbamates","Acta Crystallographica Section E","2015","71","7","752","756","10.1107/S2056989015010440","","","0.71075","MoKα","","0.1274","0.1039","","","0.1856","0.1969","","","","","","1.227","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240820","10.0984","0.0007","19.0072","0.0014","10.5124","0.0007","90","","118.419","0.002","90","","1774.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10-Phenanthrolin-1-ium 3-hydroxy-2,4,6-trinitrophenolate","","- C18 H11 N5 O8 -","- C18 H11 N5 O8 -","- C72 H44 N20 O32 -","4","1","IS5402","Muthulakshmi, Selvarasu; Kalaivani, Doraisamyraja","Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate","Acta Crystallographica Section E","2015","71","7","783","785","10.1107/S2056989015010737","","","0.71073","MoKα","","0.0812","0.0419","","","0.1007","0.1254","","","","","","1.013","","","","has coordinates,has Fobs","139188","2020-10-21","18:00:00",""
"2240821","33.0327","0.0016","33.0327","0.0016","7.1523","0.0003","90","","90","","120","","6758.7","0.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","2-{[2-Methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol","","- C15 H11 F3 N2 O4 -","- C15 H11 F3 N2 O4 -","- C270 H198 F54 N36 O72 -","18","1","IS5398","Karadayı, Nevzat; Şahin, Songül; Köysal, Yavuz; Coşkun, Emine; Büyükgüngör, Orhan","Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol","Acta Crystallographica Section E","2015","71","7","o466","o467","10.1107/S2056989015010129","","","0.71073","MoKα","","0.1879","0.0837","","","0.0997","0.1262","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240822","9.753","0.0002","9.753","0.0002","19.3977","0.0002","90","","90","","120","","1597.93","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","Scandium indium pentadecamolybdenum nonadecaselenide","","- In1.39 Mo15 Sc1.91 Se19 -","- In1.39 Mo15 Sc1.914 Se19 -","- In2.78 Mo30 Sc3.828 Se38 -","2","0.166667","WM5164","Gougeon, Patrick; Gall, Philippe; Salloum, Diala","Crystal structure of Sc~1.91~In~1.39~Mo~15~Se~19~, containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2015","71","7","760","762","10.1107/S2056989015010634","","","0.71069","MoKα","","0.0498","0.0309","","","0.0583","0.0633","","","","","","1.083","","","","has coordinates,has Fobs","139190","2020-10-21","18:00:00",""
"2240823","9.2432","0.0006","4.3392","0.0002","20.1953","0.0013","90","","98.468","0.003","90","","801.16","0.08","120","","120","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Diiodo-pyridine","Pyridine‒diiodine (1/1)","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","RZ5157","Tuikka, Matti; Haukka, Matti","Crystal structure of the pyridine‒diiodine (1/1) adduct","Acta Crystallographica Section E","2015","71","7","o463","","10.1107/S2056989015010518","","","0.71073","MoKα","","0.0725","0.0486","","","0.0827","0.0912","","","","","","1.073","","","","has coordinates,has Fobs","139191","2020-10-21","18:00:00",""
"2240824","8.0803","0.0002","23.7497","0.0006","10.7846","0.0003","90","","98.962","0.001","90","","2044.35","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Methyl-4-[(<i>E</i>)-(pyridin-3-ylmethylidene)amino]-4,5-dihydro-1,2,4-triazin-3(2<i>H</i>)-one","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C80 H88 N40 O8 -","8","2","SJ5463","Jeon, Youngeun; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of pymetrozine","Acta Crystallographica Section E","2015","71","7","o461","o462","10.1107/S2056989015010804","","","0.71073","MoKα","","0.0567","0.0412","","","0.0986","0.1068","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240825","10.3274","0.0005","4.5667","0.0002","13.1039","0.0006","90","","90.34","0.003","90","","618","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1,2-bis(4-bromo-2,6-difluorophenyl)diazene","","- C12 H4 Br2 F4 N2 -","- C12 H4 Br2 F4 N2 -","- C24 H8 Br4 F8 N4 -","2","0.5","NR2060","Broichhagen, Johannes; Woodmansee, David H.; Trauner, Dirk; Mayer, Peter","Crystal structure of (<i>E</i>)-1,2-bis(4-bromo-2,6-difluorophenyl)diazene","Acta Crystallographica Section E","2015","71","7","o459","o460","10.1107/S2056989015010622","","","0.71073","MoKα","","0.0444","0.0266","","","0.0503","0.0547","","","","","","1.016","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240826","9.4578","0.0004","10.2665","0.0005","10.9183","0.0004","71.448","0.002","66.494","0.002","84.269","0.002","921.21","0.07","173","2","173","","","","","","","","","3","P -1","-P 1","2","","1,2-Dibezoylacenaphthylene","","- C26 H16 O2 -","- C26 H16 O2 -","- C52 H32 O4 -","2","1","ZL2628","Greenberg, Fred H.; Nazarenko, Alexander Y.","Crystal structure of 1,2-dibenzoylacenaphthylene","Acta Crystallographica Section E","2015","71","7","o487","o488","10.1107/S2056989015011160","","","0.71073","MoKα","","0.0577","0.0437","","","0.1111","0.1186","","","","","","1.05","","","","has coordinates,has Fobs","139194","2020-10-21","18:00:00",""
"2240827","4.8093","0.0004","14.9495","0.0016","11.4969","0.0011","90","","93.482","0.003","90","","825.06","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-<i>N</i>-(furan-2-ylmethyl)acetamide","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Subhadramma, Shivanna; Siddaraju, Budanur Papaiah; Naveen, Chandra; Saravanan, Janardhanan; Gayathri, Dasararaju","Crystal structure of 2-cyano-<i>N</i>-(furan-2-ylmethyl)acetamide","Acta Crystallographica Section E","2015","71","7","o455","o456","10.1107/S2056989015010488","","","0.71073","MoKα","","0.0466","0.0368","","","0.1024","0.1111","","","","","","1.091","","","","has coordinates,has Fobs","139195","2020-10-21","18:00:00",""
"2240828","6.9428","0.0004","9.5286","0.0005","9.8927","0.0006","80.415","0.002","81.697","0.002","80.927","0.002","632.53","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","cis-<i>anti</i>-cis-dicyclohexane-18-crown-6 bis(acetonitrile) solvate","<i>cis</i>-<i>anti</i>-<i>cis</i>-2,5,8,15,18,21-Hexaoxatricyclo[20.4.0.0^9,14^]hexacosane acetonitrile disolvate","","- C24 H42 N2 O6 -","- C24 H42 N2 O6 -","- C24 H42 N2 O6 -","1","0.5","ZL2627","Nazarenko, Alexander","Crystal structure of <i>cis</i>-<i>anti</i>-<i>cis</i>-dicyclohexane-18-crown-6 acetonitrile disolvate","Acta Crystallographica Section E","2015","71","7","o472","o473","10.1107/S2056989015011056","","","0.71073","MoKα","","0.0536","0.0411","","","0.0957","0.1037","","","","","","1.065","","","","has coordinates,has Fobs","139196","2020-10-21","18:00:00",""
"2240829","34.73","0.005","14.7386","0.0007","25.903","0.004","90","","132.36","0.02","90","","9797","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5^2^-[(5-Bromopentyl)oxy]-1^2^,1^14^,3^5^,5^5^-tetra-<i>tert</i>-butyl-1^7^,1^8^,1^9^,1^10^-tetrahydro-1^6^<i>H</i>,1^16^<i>H</i>-1(4,12)-dibenzo[<i>b</i>,<i>e</i>][1,7]dioxacyclododecina-3,5(1,3)-dibenzenacyclohexaphan-3^2^-ol","","- C54 H72 Br O4 -","- C54 H72 Br O4 -","- C432 H576 Br8 O32 -","8","1","HG5441","Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.","Crystal structure of a mono-bridged calix[4]arene","Acta Crystallographica Section E","2015","71","7","772","775","10.1107/S2056989015010932","","","1.54184","CuKα","","0.1361","0.1087","","","0.3039","0.337","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","139197","2020-10-21","18:00:00",""
"2240830","8.5757","0.0007","9.2957","0.0008","22.994","0.002","90","","90","","90","","1833","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15,16-Epoxy-7β,9α-dihydroxylabdane-13(16),14-dien-6-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Singh, Vikram Dev; Kamni; Amina, Musarat; Al-Musayeib, Nawal; Anthal, Sumati; Kant, Rajni","Crystal structure of 15,16-epoxy-7β,9α-dihydroxylabdane-13(16),14-dien-6-one","Acta Crystallographica Section E","2015","71","7","o483","o484","10.1107/S2056989015011214","","","0.71073","MoKα","","0.0849","0.0524","","","0.0991","0.1153","","","","","","1.021","","","","has coordinates,has Fobs","139198","2020-10-21","18:00:00",""
"2240831","5.14153","0.00016","9.7449","0.0003","20.4639","0.0005","98.839","0.002","90.946","0.002","100.237","0.003","996","0.05","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","Obscurine","(<i>E</i>)-3-[(1<i>R</i>*,2<i>S</i>*,4a<i>S</i>*,8a<i>R</i>*)-2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-<i>N</i>-isobutylacrylamide","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","1","SU5126","Lenta, Bruno N.; Chouna, Rodolphe J.; Neumann, Beate; Stammler, Hans-Georg; Sewald, Norbert","Crystal structure of obscurine: a natural product isolated from the stem bark of <i>B. obscura</i>","Acta Crystallographica Section E","2015","71","7","o457","o458","10.1107/S2056989015010567","","","1.5418","CuKα","","0.0408","0.0351","","","0.0868","0.0912","","","","","","1.042","","","","has coordinates,has Fobs","139199","2020-10-21","18:00:00",""
"2240832","12.436","0.007","13.571","0.007","16.159","0.009","90","","90","","90","","2727","3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-Hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3(2<i>H</i>)-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","XU5852","Ge, Jun-Jun; Chen, Pian; Ye, Xiao-Xia","Crystal structure of 16-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3(2<i>H</i>)-one","Acta Crystallographica Section E","2015","71","7","o464","o465","10.1107/S2056989015010592","","","0.71073","MoKα","","0.081","0.0584","","","0.1742","0.1976","","","","","","1.083","","","","has coordinates,has Fobs","139200","2020-10-21","18:00:00",""
"2240833","8.5884","0.0007","9.9165","0.0007","12.2788","0.0013","73.19","0.005","75.819","0.004","66.374","0.003","907.16","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","azimsulfuron","1-(4,6-Dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2<i>H</i>-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea","","- C13 H16 N10 O5 S -","- C13 H16 N10 O5 S -","- C26 H32 N20 O10 S2 -","2","1","HG5444","Jeon, Youngeun; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of azimsulfuron","Acta Crystallographica Section E","2015","71","7","o470","o471","10.1107/S2056989015010968","","","0.71073","MoKα","","0.0568","0.0453","","","0.1106","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","139201","2020-10-21","18:00:00",""
"2240834","8.661","0.0017","12.027","0.002","12.56","0.003","94.66","0.03","97.99","0.03","110.04","0.03","1205.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C18 H38 N8 Ni S2 -","- C18 H38 N8 Ni S2 -","- C36 H76 N16 Ni2 S4 -","2","1","GK2635","Kim, Dae-Woong; Kim, Jong Jin; Shin, Jong Won; Kim, Jin Hong; Moon, Dohyun","Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(thiocyanato-κ<i>N</i>)nickel(II) from synchrotron data","Acta Crystallographica Section E","2015","71","7","779","782","10.1107/S205698901501110X","","","0.63","synchrotron","","0.0436","0.0416","","","0.1099","0.1113","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","139202","2020-10-21","18:00:00",""
"2240835","5.6956","0.0004","14.3424","0.0009","18.9255","0.0011","90","","90.263","0.005","90","","1545.98","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylbenzyl <i>N</i>'-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate","[({[(4-Methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine","","- C15 H16 N2 S3 -","- C15 H16 N2 S3 -","- C60 H64 N8 S12 -","4","1","","binti Ramli, Syahirah; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T.","Crystal structure of 4-methylbenzyl <i>N</i>'-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2015","71","7","o475","o476","10.1107/S205698901501107X","","","1.54182","CuKα","","0.0442","0.0386","","","0.103","0.1086","","","","","","1.062","","","","has coordinates,has Fobs","139203","2020-10-21","18:00:00",""
"2240836","6.7335","0.0003","7.6307","0.0004","25.0638","0.001","90","","93.928","0.004","90","","1284.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","HG5442","Rajam, Ammaiyappan; Muthiah, P.T.; Butcher, Ray J.; Jasinski, Jerry P.","Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate","Acta Crystallographica Section E","2015","71","7","o479","o480","10.1107/S2056989015010907","","","0.71073","MoKα","","0.0857","0.0615","","","0.1676","0.186","","","","","","1.05","","","","has coordinates,has Fobs","139204","2020-10-21","18:00:00",""
"2240837","30.691","0.003","6.7321","0.0003","6.9435","0.0006","90","","99.811","0.007","90","","1413.6","0.2","133","2","133.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","Tetraaquabis(2-chloropyrazine-κ<i>N</i>^4^)iron(II) bis(4-methylbenxenesulfonate)","","- C22 H28 Cl2 Fe N4 O10 S2 -","- C22 H28 Cl2 Fe N4 O10 S2 -","- C44 H56 Cl4 Fe2 N8 O20 S4 -","2","0.25","WM5168","Golub, Bohdan O.; Shylin, Sergii I.; Dechert, Sebastian; Malysheva, Maria L.; Gural`skiy, Il`ya A.","Crystal structure of high-spin tetraaquabis(2-chloropyrazine-κ<i>N</i>^4^)iron(II) bis(4-methylbenzenesulfonate)","Acta Crystallographica Section E","2015","71","7","776","778","10.1107/S2056989015010713","","","0.71073","MoKα","","0.0376","0.0279","","","0.0648","0.0674","","","","","","1.002","","","","has coordinates,has Fobs","139205","2020-10-21","18:00:00",""
"2240838","12.706","0.001","12.875","0.001","28.319","0.002","93.76","0.001","98.449","0.001","113.318","0.001","4168.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate","","- H42.5 Na4.5 O48 Pt V9 -","- H36.5 Na4.5 O48 Pt V9 -","- H146 Na18 O192 Pt4 V36 -","4","2","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Double salt crystal structure of nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate: stepwise-protonated nonavanadoplatinate(IV)","Acta Crystallographica Section E","2015","71","7","786","790","10.1107/S2056989015010956","","","0.71073","MoKα","","0.0782","0.0529","","","0.1054","0.1154","","","","","","1.05","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240839","13.498","0.002","7.0791","0.0009","16.1717","0.0019","90","","91.42","0.004","90","","1544.8","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-5,5-Dimethyl-2-[3-(4-nitrophenyl)allylidene]cyclohexane-1,3-dione","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Kwon, Jang Hyuk; Park, Junghwan","Crystal structure of (<i>E</i>)-5,5-dimethyl-2-[3-(4-nitrophenyl)allylidene]cyclohexane-1,3-dione","Acta Crystallographica Section E","2015","71","7","o485","o486","10.1107/S2056989015011172","","","0.71075","MoKα","","","0.0716","","","","0.2583","","","","","","1.035","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240840","7.5563","0.0005","15.3187","0.0011","10.1229","0.0007","90","","99.49","0.02","90","","1155.72","0.15","100","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(2-Hydroxybenzoyl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one","","- C13 H8 N2 O3 S -","- C13 H8 N2 O3 S -","- C52 H32 N8 O12 S4 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Crystal structures of two 6-(2-hydroxybenzoyl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-ones","Acta Crystallographica Section E","2015","71","7","766","771","10.1107/S2056989015011044","","","0.71075","MoKα","","0.0476","0.036","","","0.0904","0.0955","","","","","","1.024","","","","has coordinates,has Fobs","139208","2020-10-21","18:00:00",""
"2240841","3.931","0.002","10.459","0.006","14.657","0.008","90","","94.201","0.014","90","","601","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","6-(2-Hydroxybenzoyl)-2-methyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C28 H20 N4 O6 S2 -","2","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Crystal structures of two 6-(2-hydroxybenzoyl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-ones","Acta Crystallographica Section E","2015","71","7","766","771","10.1107/S2056989015011044","","","0.71075","MoKα","","0.0394","0.0313","","","0.0625","0.0667","","","","","","1.043","","","","has coordinates,has Fobs","139208","2020-10-21","18:00:00",""
"2240842","7.05","0.0003","7.6049","0.0003","15.1376","0.0007","78.782","0.002","88.549","0.002","78.515","0.002","780.07","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(6-Bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C15 H14 Br N O3 S2 -","- C15 H14 Br N O3 S2 -","- C30 H28 Br2 N2 O6 S4 -","2","1","BQ2399","Kumar, K. Mahesh; Roopashree, K. R.; Vinduvahini, M.; Kotresh, O.; Devarajegowda, H. C.","Crystal structure of (6-bromo-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2015","71","7","o489","o490","10.1107/S2056989015011007","","","0.71073","MoKα","","0.0318","0.0256","","","0.0624","0.0652","","","","","","1.031","","","","has coordinates,has Fobs","139209","2020-10-21","18:00:00",""
"2240843","8.77574","0.00017","8.77574","0.00017","16.9004","0.0004","90","","90","","120","","1127.18","0.04","150","2","150","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","Heptapalladium tetratin","","- Pd6.69 Sn4.31 -","- Pd6.685 Sn4.315 -","- Pd40.11 Sn25.89 -","6","1","WM5142","Klein, Wilhelm; Jin, Hanpeng; Hlukhyy, Viktor; Fässler, Thomas F.","`Pd~20~Sn~13~' revisited: crystal structure of Pd~6.69~Sn~4.31~","Acta Crystallographica Section E","2015","71","7","807","809","10.1107/S2056989015011366","","","0.71073","MoKα","","0.0443","0.0276","","","0.0714","0.0758","","","","","","1.083","","","","has coordinates,has Fobs","139437","2020-10-21","18:00:00",""
"2240844","12.4903","0.0011","8.7207","0.0007","12.7392","0.0012","90","","116.123","0.004","90","","1245.86","0.19","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyclopentadienyl-1,7-dicarba-2-cobalta-<i>closo</i>-dodecaborane(11)","","- C7 H16 B9 Co -","- C7 H16 B9 Co -","- C28 H64 B36 Co4 -","4","1","PJ2020","Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of a second polymorph of 2-cyclopentadienyl-1,7-dicarba-2-cobalta-<i>closo</i>-dodecaborane(11)","Acta Crystallographica Section E","2015","71","7","m141","m142","10.1107/S2056989015011445","","","0.71073","MoKα","","0.0296","0.0222","","","0.0547","0.0578","","","","","","1.025","","","","has coordinates,has Fobs","139438","2020-10-21","18:00:00",""
"2240845","4.8846","0.0002","10.7002","0.0004","29.5666","0.0011","90","","90","","90","","1545.33","0.1","198","2","198.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4,4'-(But-2-ene-1,4-diyl)bis(2-methoxyphenol)","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Knight, Kyle S.; Carey, Patrick J.","Crystal structure of (<i>E</i>)-4,4'-(but-2-ene-1,4-diyl)bis(2-methoxyphenol)","Acta Crystallographica Section E","2015","71","7","o500","","10.1107/S2056989015011585","","","0.71073","MoKα","","0.0383","0.0334","","","0.0903","0.0956","","","","","","1.052","","","","has coordinates,has Fobs","139439","2020-10-21","18:00:00",""
"2240846","6.9729","0.0007","10.642","0.001","11.879","0.001","95.049","0.008","100.324","0.009","102.87","0.009","837.88","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(2-Chlorobenzylidene)hydrazin-1-yl]-2-oxoethyl}-4-methylbenzamide monohydrate","","- C17 H18 Cl N3 O3 -","- C17 H18 Cl N3 O3 -","- C34 H36 Cl2 N6 O6 -","2","1","SU5148","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","Crystal structure of (<i>E</i>)-<i>N</i>-{2-[2-(2-chlorobenzylidene)hydrazin-1-yl]-2-oxoethyl}-4-methylbenzamide monohydrate","Acta Crystallographica Section E","2015","71","7","795","798","10.1107/S2056989015011147","","","0.71073","MoKα","","0.0494","0.0393","","","0.0954","0.1033","","","","","","1.044","","","","has coordinates,has Fobs","139440","2020-10-21","18:00:00",""
"2240847","6.2463","0.0002","10.2438","0.0003","23.0533","0.0008","90","","90","","90","","1475.08","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-{[(3,5-Dimethylphenyl)imino]methyl}naphthalen-2-ol","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","SU5133","Abu-Dief, Ahmed M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structure of (<i>E</i>)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol","Acta Crystallographica Section E","2015","71","7","o496","o497","10.1107/S2056989015011548","","","1.54184","CuKα","","0.0484","0.0406","","","0.1122","0.1206","","","","","","1.089","","","","has coordinates,has Fobs","139441","2020-10-21","18:00:00",""
"2240848","10.22","0.0015","14.2289","0.0019","10.2474","0.0015","90","","93.058","0.007","90","","1488","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-Benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","HB7438","Ravi, A. J.; Vinayaka, A. C.; Jeyaseelan, S.; Sadashiva, M. P.; Devarajegowda, H. C.","Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol","Acta Crystallographica Section E","2015","71","7","o492","o493","10.1107/S2056989015011263","","","0.71073","MoKα","","0.0541","0.0438","","","0.1146","0.1226","","","","","","1.028","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240849","8.0746","0.0003","8.0746","0.0003","16.7315","0.0006","90","","90","","120","","944.73","0.06","150","2","150","2","","","","","","","","2","P 32 2 1","P 32 2""","154","2-Diazo-4,5-dicyanoimidazole","2-Diazoimidazole-4,5-dicarbonitrile","","- C5 N6 -","- C5 N6 -","- C30 N36 -","6","1","CQ2016","Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W.","Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile","Acta Crystallographica Section E","2015","71","7","o491","","10.1107/S2056989015010944","","","0.71073","MoKα","","0.0213","0.021","","","0.0574","0.0578","","","","","","1.086","","","","has coordinates,has Fobs","139443","2020-10-21","18:00:00",""
"2240850","9.706","0.003","10.643","0.003","25.073","0.006","89.62","0.03","89.26","0.03","82.73","0.03","2569","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","μ-Chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>-chlorido-2κ<i>Cl</i>-bis(2-methoxyethanol-1κ<i>O</i>)bis(2-methoxyethanol-1κ^2^<i>O</i>,<i>O</i>')bis(μ-triphenylacetato-1:2κ^2^<i>O</i>:<i>O</i>')bariumzinc","","- C52 H62 Ba Cl2 O12 Zn -","- C52 H62 Ba Cl2 O12 Zn -","- C104 H124 Ba2 Cl4 O24 Zn2 -","2","1","","Utko, Józef; Sobocińska, Maria; Dobrzyńska, Danuta; Lis, Tadeusz","Crystal structure of a mixed-ligand dinuclear Ba—Zn complex with 2-methoxyethanol having triphenylacetate and chloride bridges","Acta Crystallographica Section E","2015","71","7","791","794","10.1107/S2056989015011226","","","0.71073","MoKα","","0.0403","0.0349","","","0.0983","0.1002","","","","","","1.139","","","","has coordinates,has Fobs","139444","2020-10-21","18:00:00",""
"2240851","6.756","0.004","7.988","0.006","7.991","0.006","94.48","0.06","108.27","0.05","103.31","0.05","393.2","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","3-(Hydroxymethyl)chromone","3-(Hydroxymethyl)-4<i>H</i>-chromen-4-one","","- C10 H8 O3 -","- C10 H8 O3 -","- C20 H16 O6 -","2","1","","Ishikawa, Yoshinobu","Crystal structure of 3-(hydroxymethyl)chromone","Acta Crystallographica Section E","2015","71","7","o495","","10.1107/S2056989015011627","","","0.71069","MoKα","","","0.0648","","","","0.2023","","","","","","1.056","","","","has coordinates,has Fobs","139445","2020-10-21","18:00:00",""
"2240852","11.8064","0.0006","12.0625","0.0007","6.4969","0.0004","90","","113.805","0.002","90","","846.54","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium trimagnesium bis(hydrogen phosphate) phosphate","","- H2 Mg3 Na O12 P3 -","- H2 Mg3 Na O12 P3 -","- H8 Mg12 Na4 O48 P12 -","4","0.5","WM5174","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; Mercier, Cyrille; Follet, Claudine; El Ammari, Lahcen","Crystal structure of alluaudite-type NaMg~3~(HPO~4~)~2~(PO~4~)","Acta Crystallographica Section E","2015","71","7","813","815","10.1107/S205698901501155X","","","0.71073","MoKα","","0.0304","0.025","","","0.0688","0.0719","","","","","","1.091","","","","has coordinates,has Fobs","139446","2020-10-21","18:00:00",""
"2240853","9.479","0.005","10.08","0.005","10.32","0.005","108.552","0.005","102.886","0.005","94.406","0.005","899.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C17 H21 Cl N2 O6 -","- C17 H21 Cl N2 O6 -","- C34 H42 Cl2 N4 O12 -","2","1","LH5770","Suresh, M.; Padusha, M. Syed Ali; Novina, J. Josephine; Vasuki, G.; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2015","71","7","821","823","10.1107/S2056989015011688","","","0.71073","MoKα","","0.0515","0.0412","","","0.1129","0.1212","","","","","","1.037","","","","has coordinates,has Fobs","139447","2020-10-21","18:00:00",""
"2240854","23.4263","0.0005","21.1181","0.0005","9.2989","0.0002","90","","100.731","0.001","90","","4519.89","0.17","85","2","85","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","4,4'-Diethynylbiphenyl","","- C16 H10 -","- C16 H10 -","- C256 H160 -","16","4","HG5446","Tagg, Tei; McAdam, C. John; Robinson, Brian H.; Simpson, Jim","Crystal structure of 4,4'-diethynylbiphenyl","Acta Crystallographica Section E","2015","71","7","816","820","10.1107/S2056989015011494","","","0.71073","MoKα","","0.0492","0.0363","","","0.0921","0.1032","","","","","","1.027","","","","has coordinates,has Fobs","139448","2020-10-21","18:00:00",""
"2240855","16.5283","0.0011","9.9049","0.0007","9.6831","0.0005","90","","99.056","0.002","90","","1565.47","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(Morpholin-4-yl)(thiophen-2-yl)methyl]benzamide","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","SU5156","Prabhu, S. Arun; Suresh, M.; Jameel, A. Abdul; Padusha, M. Syed Ali; Gunasekaran, B.","Crystal structure of <i>N</i>-[(morpholin-4-yl)(thiophen-2-yl)methyl]benzamide","Acta Crystallographica Section E","2015","71","7","o498","o499","10.1107/S2056989015011639","","","0.71073","MoKα","","0.0783","0.0542","","","0.1617","0.1818","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240856","12.9132","0.0006","15.3893","0.0007","8.4792","0.0004","90","","107.559","0.001","90","","1606.52","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-<i>tert</i>-Butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3<i>H</i>)-one","","- C15 H14 Cl2 N2 O3 -","- C15 H14 Cl2 N2 O3 -","- C60 H56 Cl8 N8 O12 -","4","1","SJ5464","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of oxadiargyl","Acta Crystallographica Section E","2015","71","7","o494","","10.1107/S2056989015011524","","","0.71073","MoKα","","0.0448","0.036","","","0.0855","0.0907","","","","","","1.026","","","","has coordinates,has Fobs","139450","2020-10-21","18:00:00",""
"2240857","8.482961","0.000014","10.56617","0.000017","13.83195","0.00003","90","","90","","90","","1239.79","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium molybdate dihydrate","Disodium molybdenum(VI) oxide dihydrate","","- D4 Mo Na2 O6 -","- D4 Mo Na2 O6 -","- D32 Mo8 Na16 O48 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.88","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240858","8.482514","0.000015","10.595156","0.000019","13.8564","0.00003","90","","90","","90","","1245.32","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium tungstate dihydrate","Disodium tungsten(VI) oxide dihydrate","","- D4 Na2 O6 W -","- D4 Na2 O6 W -","- D32 Na16 O48 W8 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.82","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240859","7.324","0.002","11.972","0.004","15.667","0.005","90","","94.384","0.004","90","","1369.7","0.7","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Hydroxyethyl)-2-methyl-5-nitro-1<i>H</i>-imidazol-3-ium tetrachloridoaurate(III)]","","- C6 H10 Au Cl4 N3 O3 -","- C6 H10 Au Cl4 N3 O3 -","- C24 H40 Au4 Cl16 N12 O12 -","4","1","LH5766","Quinlivan, Patrick J.; Wu, Ja-Shin; Upmacis, Rita K.","Crystal structure of metronidazolium tetrachloridoaurate(III)","Acta Crystallographica Section E","2015","71","7","810","812","10.1107/S2056989015010798","","","0.71073","MoKα","","0.0283","0.0207","","","0.0425","0.0447","","","","","","1.162","","","","has coordinates,has Fobs","139452","2020-10-21","18:00:00",""
"2240860","7.0599","0.0005","12.1868","0.0008","10.8385","0.0006","90","","103.593","0.004","90","","906.4","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-4<i>H</i>-1,2,4-triazol-1-ium pyrazine-2-carboxylate","","- C7 H8 N6 O2 -","- C7 H8 N6 O2 -","- C28 H32 N24 O8 -","4","1","","Fernandes, José A.; Liu, Bing; Tomé, João P. C.; Cunha-Silva, Luís; Almeida Paz, Filipe A.","Crystal structure of 5-amino-4<i>H</i>-1,2,4-triazol-1-ium pyrazine-2-carboxylate: an unexpected salt arising from the decarboxylation of both precursors","Acta Crystallographica Section E","2015","71","7","840","843","10.1107/S205698901501172X","","","0.71073","MoKα","","0.1291","0.0587","","","0.11","0.1333","","","","","","1.015","","","","has coordinates,has Fobs","139605","2020-10-21","18:00:00",""
"2240861","9.913","0.005","11.414","0.005","12.144","0.005","90","","99.903","0.005","90","","1353.6","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>Z</i>)-1^5^-Bromo-3^2^,3^2^-dimethyl-2^1^-nitro-2^2^,2^3^,2^5^,2^6^,2^7^,2^7a^,3^3a^,3^5^,3^6^,3^6a^-decahydro-2^1^<i>H</i>,6^1^<i>H</i>-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-<i>d</i>][1,3]dioxola-1(1,2)-benzenacyclononaphane","","- C25 H29 Br N5 O7 -","- C25 H29 Br N5 O7 -","- C50 H58 Br2 N10 O14 -","2","1","SU5103","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two triazola-dioxola-benzenacyclononaphanes","Acta Crystallographica Section E","2015","71","7","827","831","10.1107/S205698901501141X","","","0.71073","MoKα","","0.0999","0.0437","","","0.0881","0.1051","","","","","","0.954","","","","has coordinates,has Fobs","139606","2020-10-21","18:00:00",""
"2240862","8.756","0.005","10.811","0.005","13.569","0.005","90","","101.122","0.005","90","","1260.3","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>Z</i>)-3^2^,3^2^-Dimethyl-2^7^-nitro-2^5^,2^6^,2^7^,2^7a^,3^3a^,3^5^,3^6^,3^6a^-octahydro-2^1^<i>H</i>,2^3^<i>H</i>,6^1^<i>H</i>-4,9-dioxa-2(5,6)-pyrrolo[1,2-<i>c</i>]thiazola-6(4,1)-triazola-3(5,6)-furo[2,3-<i>d</i>][1,3]dioxola-1(1,2)-benzenacyclononaphane","","- C24 H29 N5 O7 S -","- C24 H29 N5 O7 S -","- C48 H58 N10 O14 S2 -","2","1","SU5103","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two triazola-dioxola-benzenacyclononaphanes","Acta Crystallographica Section E","2015","71","7","827","831","10.1107/S205698901501141X","","","0.71073","MoKα","","0.0912","0.046","","","0.0873","0.1029","","","","","","1","","","","has coordinates,has Fobs","139606","2020-10-21","18:00:00",""
"2240863","15.9735","0.0019","6.1467","0.0007","16.963","0.002","90","","113.73","0.001","90","","1524.7","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","SU5150","Narita, Fuka; Takura, Akihiro; Fujihara, Takashi","Crystal structure of 2-(4-<i>tert</i>-butylphenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2015","71","7","824","826","10.1107/S2056989015011482","","","0.71073","MoKα","","0.0496","0.0433","","","0.1216","0.1272","","","","","","1.042","","","","has coordinates,has Fobs","139607","2020-10-21","18:00:00",""
"2240864","19.284","0.003","56.44","0.008","11.1695","0.0015","90","","90","","90","","12157","3","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","03251a","Bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane","","- C14 H16 N2 S3 -","- C14 H16 N2 S3 -","- C448 H512 N64 S96 -","32","2","","Barany, George; Henley, Matthew J.; Polski, Lauren A.; Schroll, Alayne L.; Young, Jr, Victor G.","Crystal structure of bis(<i>N</i>-methyl-<i>N</i>-phenylamino)trisulfane","Acta Crystallographica Section E","2015","71","7","836","839","10.1107/S2056989015011342","","","0.71073","MoKα","","0.1192","0.056","","","0.1062","0.1294","","","","","","1.062","","","","has coordinates,has Fobs","139608","2020-10-21","18:00:00",""
"2240865","8.8201","0.0007","7.885","0.0007","13.0639","0.001","90","","108.407","0.003","90","","862.06","0.12","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-5-Diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol","","- C19 H25 N3 O -","- C19 H25 N3 O -","- C38 H50 N6 O2 -","2","1","SU5157","Rani, C. Vidya; Chakkaravarthi, G.; Rajagopal, G.","Crystal structure of (<i>E</i>)-5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","7","o503","","10.1107/S2056989015011779","","","0.71073","MoKα","","0.0921","0.0524","","","0.1336","0.1591","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240866","13.5514","0.0011","14.7204","0.0011","14.5905","0.001","90","","90.604","0.003","90","","2910.4","0.4","223","","223","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Diethoxy-9,10-anthraquinone","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","2","IS5404","Kitamura, Chitoshi; Li, Sining; Takehara, Munenori; Inoue, Yoshinori; Ono, Katsuhiko; Kawase, Takeshi","Crystal structure of 1,4-diethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2015","71","7","o504","o505","10.1107/S2056989015011901","","","0.71073","MoKα","","0.1239","0.0761","","","0.2024","0.2726","","","","","","0.933","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240867","8.9688","0.0008","8.0063","0.0008","10.9628","0.001","90","","106.015","0.004","90","","756.65","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>cis</i>-2-(2-Carboxycyclopropyl)glycine monohydrate","(α<i>R</i>,1<i>R</i>,2<i>S</i>)-<i>rel</i>-α-Amino-2-carboxycyclopropaneacetic acid monohydrate","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C24 H44 N4 O20 -","4","2","","Lindeman, Sergey; Wallock, Nathaniel J.; Donaldson, William A.","Crystal structure of <i>cis</i>-2-(2-carboxycyclopropyl)glycine (CCG-III) monohydrate","Acta Crystallographica Section E","2015","71","7","844","846","10.1107/S2056989015011500","","","1.54178","CuKα","","0.021","0.0209","","","0.0549","0.0549","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240868","5.221","0.0002","9.1889","0.0004","22.1559","0.001","90","","90","","90","","1062.93","0.08","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[(<i>L</i>-methionine-κ<i>O</i>)zinc]-μ~3~-(hydrogen phosphato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']","","- C5 H12 N O6 P S Zn -","- C5 H12 N O6 P S Zn -","- C20 H48 N4 O24 P4 S4 Zn4 -","4","1","WM5165","Chouat, Nadjet; Hasnaoui, Mohammed Abdelkrim; Sassi, Mohamed; Bengueddach, Abdelkader; Lusvardi, Gigliola; Cornia, Andrea","Crystal structure of a new homochiral one-dimensional zincophosphate containing <small>L</small>-methionine","Acta Crystallographica Section E","2015","71","7","832","835","10.1107/S2056989015011561","","","0.71073","MoKα","","0.0345","0.0258","","","0.0542","0.0564","","","","","","1.001","","","","has coordinates,has Fobs","139612","2020-10-21","18:00:00",""
"2240869","14.7164","0.0007","16.7306","0.0009","7.0733","0.0003","90","","94.857","0.002","90","","1735.29","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-Hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)methanone","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","SU5154","Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of (2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)methanone","Acta Crystallographica Section E","2015","71","7","o501","o502","10.1107/S2056989015011597","","","0.71073","MoKα","","0.0778","0.0446","","","0.1067","0.1252","","","","","","1.036","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240870","5.5571","0.0003","8.5404","0.0004","15.4542","0.0009","85.884","0.003","86.814","0.003","74.125","0.003","703.17","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-(prop-2-yn-1-yl)-1,4-dihydrospiro[benzo[<i>d</i>][1,3]oxazine-2,3'-indolin]-2'-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","SU5155","AaminaNaaz, Y.; Kamalraja, J.; Vimala, G.; Perumal, P. T.; SubbiahPandi, A.","Crystal structure of 1'-(prop-2-yn-1-yl)-1,4-dihydrospiro[benzo[<i>d</i>][1,3]oxazine-2,3'-indolin]-2'-one","Acta Crystallographica Section E","2015","71","7","o510","o511","10.1107/S2056989015011949","","","0.71073","MoKα","","0.0656","0.0406","","","0.0909","0.1058","","","","","","1.06","","","","has coordinates,has Fobs","139730","2020-10-21","18:00:00",""
"2240871","13.0171","0.0007","3.8488","0.0002","13.5989","0.0007","90","","96.062","0.001","90","","677.5","0.06","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-bromo-2-hydroxybenzonitrile","3-Bromo-2-hydroxybenzonitrile","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C28 H16 Br4 N4 O4 -","4","1","LD2134","Dickinson, Sean R.; Müller, Peter; Tanski, Joseph M.","Crystal structure of 3-bromo-2-hydroxybenzonitrile","Acta Crystallographica Section E","2015","71","7","o523","o524","10.1107/S2056989015011974","","","0.71073","MoKα","","0.0246","0.0203","","","0.0474","0.0491","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","139731","2020-10-21","18:00:00",""
"2240872","17.4845","0.0013","10.6593","0.0008","25.103","0.0018","90","","90","","90","","4678.5","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{Bis[(pyridin-2-yl)methyl](1,1,1,3-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate","","- C17 H19 Cl6 Cu N3 O4 -","- C17 H19 Cl6 Cu N3 O4 -","- C136 H152 Cl48 Cu8 N24 O32 -","8","1","LH5771","Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Gray, Danielle L.; Parkin, Sean","Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}chloridocopper(II) perchlorate","Acta Crystallographica Section E","2015","71","7","847","851","10.1107/S2056989015011792","","","0.71073","MoKα","","0.0865","0.0454","","","0.0933","0.1078","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","139732","2020-10-21","18:00:00",""
"2240873","9.746","0.003","36.787","0.005","12.174","0.003","90","","106.412","0.012","90","","4186.9","1.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-[4-(Hexyloxy)phenyl]-1,2,4-triazolo[4,3-<i>a</i>][1,10]phenanthroline","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C200 H192 N32 O8 -","8","2","","Preis, Jasmin; Schollmeyer, Dieter; Detert, Heiner","Crystal structure of 11-[4-(hexyloxy)phenyl]-1,2,4-triazolo[4,3-<i>a</i>][1,10]phenanthroline","Acta Crystallographica Section E","2015","71","7","o521","o522","10.1107/S2056989015012025","","","1.54178","CuKα","","0.1069","0.0625","","","0.1471","0.1703","","","","","","1.018","","","","has coordinates,has Fobs","139733","2020-10-21","18:00:00",""
"2240874","31.5071","0.0007","5.8582","0.0001","21.2249","0.0005","90","","130.18","0.001","90","","2993.12","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl (4<i>R</i>)-2-amino-7-hydroxy-4-phenyl-4<i>H</i>-chromene-3-carboxylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","QM2111","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of ethyl (4<i>R</i>)-2-amino-7-hydroxy-4-phenyl-4<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2015","71","7","o519","o520","10.1107/S2056989015012013","","","1.54178","CuKα","","0.0492","0.0383","","","0.0935","0.101","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","139734","2020-10-21","18:00:00",""
"2240875","29.3465","0.001","12.2113","0.0005","3.6206","0.0002","90","","90","","90","","1297.47","0.1","122","2","122","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Hydroxypyridin-1-ium 3,5dicarboxybenzoate","","- C14 H11 N O7 -","- C14 H11 N O7 -","- C56 H44 N4 O28 -","4","1","","Staun, Selena L.; Oliver, Allen G.","Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate","Acta Crystallographica Section E","2015","71","7","861","863","10.1107/S2056989015011780","","","1.54184","CuKα","","0.031","0.0278","","","0.0691","0.0708","","","","","","1.05","","","","has coordinates,has Fobs","139735","2020-10-21","18:00:00",""
"2240876","3.813","0.005","14.047","0.019","11.356","0.015","90","","96.806","0.019","90","","604","1.4","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Chloropyridine-2-carbonitrile","","- C6 H3 Cl N2 -","- C6 H3 Cl N2 -","- C24 H12 Cl4 N8 -","4","1","RZ5161","Montgomery, Matthew J.; O'Connor, Thomas J.; Tanski, Joseph M.","Crystal structures of 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile exhibit different intermolecular π-stacking, C—H···N~nitrile~ and C—H···N~pyridine~ interactions","Acta Crystallographica Section E","2015","71","7","852","856","10.1107/S2056989015011767","","","0.71073","MoKα","","0.0644","0.0497","","","0.127","0.1348","","","","","","1.118","","","","has coordinates,has Fobs","139736","2020-10-21","18:00:00",""
"2240877","6.1739","0.0015","15.238","0.004","7.0123","0.0018","90","","112.492","0.004","90","","609.5","0.3","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Chloropyridine-2-carbonitrile","","- C6 H3 Cl N2 -","- C6 H3 Cl N2 -","- C24 H12 Cl4 N8 -","4","1","RZ5161","Montgomery, Matthew J.; O'Connor, Thomas J.; Tanski, Joseph M.","Crystal structures of 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile exhibit different intermolecular π-stacking, C—H···N~nitrile~ and C—H···N~pyridine~ interactions","Acta Crystallographica Section E","2015","71","7","852","856","10.1107/S2056989015011767","","","0.71073","MoKα","","0.0328","0.0284","","","0.0784","0.0818","","","","","","1.086","","","","has coordinates,has Fobs","139736","2020-10-21","18:00:00",""
"2240878","13.5115","0.0003","23.1062","0.0005","13.8677","0.0003","90","","100.639","0.003","90","","4255.06","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-({5-[(<i>E</i>)-(3,5-Difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C22 H25 F2 N4 O2 -","- C22 H25 F2 N4 O2 -","- C176 H200 F16 N32 O16 -","8","2","XU5856","Tatsız, Ramazan; Kasumov, Veli T.; Tunc, Tuncay; Hökelek, Tuncer","Crystal structure of 4-({5-[(<i>E</i>)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl","Acta Crystallographica Section E","2015","71","7","864","866","10.1107/S2056989015012049","","","0.71073","MoKα","","0.1737","0.0733","","","0.1247","0.1631","","","","","","1.078","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240879","19.003","0.007","7.924","0.003","13.056","0.005","90","","90","","90","","1966","1.3","194","2","194","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,2-Bis(2,6-dimethylphenyl)-3-phenylguanidine","","- C23 H25 N3 -","- C23 H25 N3 -","- C92 H100 N12 -","4","1","PK2556","Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong","Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine","Acta Crystallographica Section E","2015","71","7","o506","o507","10.1107/S2056989015011822","","","0.71073","MoKα","","0.0648","0.0409","","","0.0929","0.1044","","","","","","1.015","","","","has coordinates,has Fobs","139738","2020-10-21","18:00:00",""
"2240880","10.2495","0.0002","7.1061","0.0001","10.5275","0.0002","90","","100.026","0.001","90","","755.05","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4α-Hydroxy-5α,8β(H)-eudesm-7(11)-en-8,12-olide monohydrate","","- C15 H24 O4 -","- C15 H24 O4 -","- C30 H48 O8 -","2","1","","Lu, Qiang-Qiang; Shi, Xin-Wei; Yang, Xing-Ke","Crystal structure of 4α-hydroxy-5α,8β(H)-eudesm-7(11)-en-8,12-olide monohydrate","Acta Crystallographica Section E","2015","71","7","o518","","10.1107/S2056989015011251","","","1.54178","CuKα","","0.0525","0.0518","","","0.1259","0.1273","","","","","","1.137","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240881","8.3716","0.0002","11.6435","0.0003","13.1018","0.0004","86.455","0.001","88.251","0.001","69.841","0.001","1196.51","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(6-Chloro-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitro-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-5-one chloroform monosolvate","","- C23 H14 Cl4 N2 O7 -","- C23 H14 Cl4 N2 O7 -","- C46 H28 Cl8 N4 O14 -","2","1","SU5158","Raja, Rajamani; Kandhasamy, Subramani; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 4-(6-chloro-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitro-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromen-5-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","7","o512","o513","10.1107/S2056989015011810","","","0.71073","MoKα","","0.0661","0.0545","","","0.1429","0.1541","","","","","","1.033","","","","has coordinates,has Fobs","139740","2020-10-21","18:00:00",""
"2240882","7.0464","0.0005","11.0379","0.0005","12.4151","0.0008","110.873","0.003","100.66","0.003","104.022","0.003","835.24","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(Naphthalen-1-yl)carbamothioyl]cyclohexanecarboxamide","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C36 H40 N4 O2 S2 -","2","1","HB7448","Vimala, G.; Haribabu, J.; Aishwarya, S.; Karvembu, R.; SubbiahPandi, A.","Crystal structure of <i>N</i>-[(naphthalen-1-yl)carbamothioyl]cyclohexanecarboxamide","Acta Crystallographica Section E","2015","71","7","o508","o509","10.1107/S2056989015011950","","","0.71073","MoKα","","0.1033","0.0676","","","0.1769","0.2194","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240883","5.784","0.003","33.713","0.014","4.633","0.003","90","","90","","90","","903.4","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Bromo-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Br F O3 -","- C10 H4 Br F O3 -","- C40 H16 Br4 F4 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 6-bromo-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","7","857","860","10.1107/S2056989015011871","","","0.71069","MoKα","","","0.0456","","","","0.1232","","","","","","1.121","","","","has coordinates,has Fobs","139742","2020-10-21","18:00:00",""
"2240884","7.098","0.0011","9.8","0.0016","11.2043","0.0017","66.923","0.002","73.598","0.002","84.72","0.003","687.68","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-aqua-triaqua(μ~3~-benzene-1,3,5-tricarboxylato)sodiumzinc] sesquihydrate]","","- C9 H14 Na O11.5 Zn -","- C9 H14 Na O11.5 Zn -","- C18 H28 Na2 O23 Zn2 -","2","1","ZP2017","Ni, Min; Li, Quanle; Chen, Hao; Li, Shengqing","Crystal structure of [NaZn(BTC)(H~2~O)~4~]·1.5H~2~O (BTC = benzene-1,3,5-tricarboxylate): a heterometallic coordination compound","Acta Crystallographica Section E","2015","71","7","m143","m144","10.1107/S2056989015012001","","","0.71073","MoKα","","0.1089","0.0512","","","0.0923","0.113","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2240885","5.1486","0.0015","6.595","0.002","7.096","0.002","112.31","0.02","98.55","0.02","98.28","0.02","215.08","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']","","- H10 Mg O10 P2 -","- H10 Mg O10 P2 -","- H10 Mg O10 P2 -","1","0.5","","Gjikaj, Mimoza; Haase, Madeline","Crystal structure of <i>catena</i>-poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2015","71","7","867","869","10.1107/S2056989015012037","","","0.71073","MoKα","","0.0388","0.0359","","","0.0921","0.0943","","","","","","1.154","","","","has coordinates,has Fobs","139744","2020-10-21","18:00:00",""
"2240886","7.0291","0.0005","10.3313","0.0008","18.9425","0.0014","90","","90","","90","","1375.6","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,9,9-Trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride","","- C15 H22 Cl N -","- C15 H22 Cl N -","- C60 H88 Cl4 N4 -","4","1","","Sridhar, G.; Bilal, I. Mohammed; Easwaramoorthy, D.; Rani, S. Kutti; Solomon, K. Anand","Crystal structure of 3,9,9-trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride","Acta Crystallographica Section E","2015","71","7","o525","o526","10.1107/S2056989015011858","","","0.71073","MoKα","","0.0438","0.0388","","","0.1162","0.123","","","","","","0.945","","","","has coordinates,has Fobs","139745","2020-10-21","18:00:00",""
"2240887","4.698","0.0003","5.738","0.0004","4.896","0.0004","90","","90.311","0.007","90","","131.98","0.016","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","β-Zinc molybdate","","- Mo O4 Zn -","- Mo O4 Zn -","- Mo2 O8 Zn2 -","2","0.5","","Mtioui-Sghaier, Olfa; Mendoza-Meroño, Rafael; Ktari, Lilia; Dammak, Mohamed; García-Granda, Santiago","Redetermination of the crystal structure of β-zinc molybdate from single-crystal X-ray diffraction data","Acta Crystallographica Section E","2015","71","7","i6","i7","10.1107/S205698901501186X","","","0.71073","MoKα","","0.0361","0.0284","","","0.0623","0.0679","","","","","","1.098","","","","has coordinates,has Fobs","139746","2020-10-21","18:00:00",""
"2240888","18.5666","0.0008","20.2009","0.0009","6.7749","0.0002","90","","92.743","0.003","90","","2538.1","0.17","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-{4-[(2,2,5,5-Tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine","","- C31 H27 N4 O -","- C31 H27 N4 O -","- C124 H108 N16 O4 -","4","1","LH5769","Meyer, Andreas; Wiecek, Jennifer; Schnakenburg, Gregor; Schiemann, Olav","The crystal structure of 4'-{4-[(2,2,5,5-tetramethyl-<i>N</i>-oxyl-3-pyrrolin-3-yl)ethynyl]phenyl}-2,2':6',2''-terpyridine","Acta Crystallographica Section E","2015","71","7","870","874","10.1107/S2056989015012086","","","0.71073","MoKα","","0.1317","0.0492","","","0.1022","0.122","","","","","","0.888","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240889","16.4198","0.0009","9.5438","0.0005","8.2402","0.0004","90","","90","","90","","1291.3","0.12","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[[triaquastrontium]-di-μ~2~-glycinato] dibromide]","","- C4 H16 Br2 N2 O7 Sr -","- C4 H16 Br2 N2 O7 Sr -","- C16 H64 Br8 N8 O28 Sr4 -","4","0.5","WM5177","Revathi, Palanisamy; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure of <i>catena</i>-poly[[[triaquastrontium]-di-μ~2~-glycinato] dibromide]","Acta Crystallographica Section E","2015","71","7","875","878","10.1107/S2056989015012219","","","0.71073","MoKα","","0.0424","0.0228","","","0.0466","0.0569","","","","","","1.136","","","","has coordinates,has Fobs","139828","2020-10-21","18:00:00",""
"2240890","4.6475","0.0002","5.4169","0.0002","24.7041","0.001","91.547","0.002","91.788","0.002","102.316","0.0019","606.96","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-dodec-2-enoic acid","","- C12 H22 O2 -","- C12 H22 O2 -","- C24 H44 O4 -","2","1","","Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian","Crystal structure of (<i>E</i>)-dodec-2-enoic acid","Acta Crystallographica Section E","2015","71","7","o528","o529","10.1107/S2056989015011937","","","1.54178","CuKα","","0.0482","0.0461","","","0.1296","0.1314","","","","","","1.134","","","","has coordinates,has Fobs","139829","2020-10-21","18:00:00",""
"2240891","7.055","0.003","7.19","0.003","20.038","0.01","80.25","0.02","79.9","0.02","64.08","0.015","895.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C19 H16 Co N3 O6 -","- C19 H16 Co N3 O6 -","- C38 H32 Co2 N6 O12 -","2","1","","Xu, Guo-Wang; Wang, Ye-Nan; Wang, Hai-Bing; Wang, Zhong-Long","Crystal structure of <i>catena</i>-poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxyylatophenyl)picolinato]-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^;κ^3^<i>O</i>^5^:<i>N</i>,<i>O</i>^2^-[diaquacobalt(II)]-μ-1-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2015","71","7","m145","m146","10.1107/S2056989015012190","","","0.71073","MoKα","","0.0445","0.0378","","","0.0861","0.0899","","","","","","1.047","","","","has coordinates,has Fobs","139830","2020-10-21","18:00:00",""
"2240892","8.016","0.013","25.93","0.06","4.091","0.008","90","","94.79","0.14","90","","847","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Acetyl-4<i>H</i>-chromen-4-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 3-acetyl-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2015","71","7","o527","","10.1107/S2056989015012098","","","0.71069","MoKα","","","0.0409","","","","0.1118","","","","","","1.03","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240893","15.011","0.004","6.1354","0.0018","16.543","0.005","90","","90","","90","","1523.6","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Hydroxymethyl-2-methoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","TK5370","Hassan, Mubashir; Ashraf, Zaman; Seo, Sung-Yum; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 5-hydroxymethyl-2-methoxyphenol","Acta Crystallographica Section E","2015","71","8","o540","o541","10.1107/S205698901501230X","","","0.71073","MoKα","","0.0618","0.0511","","","","0.1487","","","","","","1.072","","","","has coordinates,has Fobs","139969","2020-10-21","18:00:00",""
"2240894","8.7706","0.0005","10.5467","0.0004","9.1639","0.0005","90","","115.71","0.007","90","","763.75","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","10,10-Dichloro-2,7,7,11-tetramethyl-3-oxatetracyclo[6.5.0.0^2,4^.0^9,11^]tridecane","(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>)-3,3-Dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","1","XU5855","Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>)-3,3-dichloro-8,9-epoxy-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodecane","Acta Crystallographica Section E","2015","71","8","o538","o539","10.1107/S205698901501244X","","","0.71073","MoKα","","0.0295","0.0285","","","0.0745","0.0756","","","","","","1.053","","","","has coordinates,has Fobs","139970","2020-10-21","18:00:00",""
"2240895","12.1585","0.0005","8.6721","0.0004","32.6152","0.0012","90","","90","","90","","3438.9","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pencycuron","1-(4-Chlorobenzyl)-1-cyclopentyl-3-phenylurea","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C152 H168 Cl8 N16 O8 -","8","1","HB7456","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of pencycuron","Acta Crystallographica Section E","2015","71","8","o532","","10.1107/S2056989015012414","","","0.71073","MoKα","","0.0512","0.0372","","","0.0889","0.0946","","","","","","1.037","","","","has coordinates,has Fobs","139971","2020-10-21","18:00:00",""
"2240896","12.1086","0.0008","13.1418","0.0009","10.1552","0.0007","90","","96.992","0.001","90","","1603.97","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-hydroxyphenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","TK5372","Akkurt, Mehmet; Horton, Peter N.; Younes, Sabry H. H.; Mohamed, Shaaban K.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-hydroxyphenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","Acta Crystallographica Section E","2015","71","8","o536","o537","10.1107/S2056989015012566","","","0.71075","MoKα","","0.0386","0.0338","","","0.089","0.0923","","","","","","1.055","","","","has coordinates,has Fobs","139972","2020-10-21","18:00:00",""
"2240897","14.8539","0.0017","8.5969","0.001","16.4434","0.0019","90","","112.104","0.002","90","","1945.5","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II)","","- C14 H24 Cl2 N4 Ni S2 -","- C14 H24 Cl2 N4 Ni S2 -","- C56 H96 Cl8 N16 Ni4 S8 -","4","0.5","HP2071","Ahmida, Aziza; Flörke, Ulrich; Egold, Hans; Henkel, Gerald","Crystal structure of dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II)","Acta Crystallographica Section E","2015","71","8","m147","","10.1107/S2056989015012281","","","0.71073","MoKα","","0.0421","0.0346","","","0.0851","0.0892","","","","","","1.093","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240898","5.6572","0.0005","7.3692","0.0008","15.5711","0.0015","79.202","0.009","81.159","0.008","89.442","0.008","629.95","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","","- C15 H12 F N3 O -","- C15 H12 F N3 O -","- C30 H24 F2 N6 O2 -","2","1","","Kumar, Balbir; Bhardwaj, Madhvi; Paul, Satya; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2015","71","8","o534","o535","10.1107/S2056989015012153","","","0.71073","MoKα","","0.0886","0.0571","","","0.1509","0.1792","","","","","","1.043","","","","has coordinates,has Fobs","139974","2020-10-21","18:00:00",""
"2240899","12.0434","0.0006","14.0479","0.0007","15.274","0.0007","82.161","0.002","72.463","0.002","80.094","0.002","2417.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-(Acetoxyimino)-<i>N</i>-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide","","- C26 H32 N3 O2 S -","- C26 H32 N3 O2 S -","- C104 H128 N12 O8 S4 -","4","2","SU5159","Mohandas, T.; Krishnan, K. Gokula; Balamurugan, S.; Harrison, William T. A.; Thanikachalam, V.; Sakthivel, P.","Crystal structure of (<i>E</i>)-4-(acetoxyimino)-<i>N</i>-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide","Acta Crystallographica Section E","2015","71","8","o542","o543","10.1107/S2056989015012499","","","0.71073","MoKα","","0.1152","0.0513","","","0.1249","0.1604","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","139975","2020-10-21","18:00:00",""
"2240900","12.7222","0.0002","11.9892","0.0002","13.7895","0.0003","90","","113.851","0.001","90","","1923.68","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{[4-(<i>tert</i>-Butylsulfanyl)phenyl]ethynyl}-1-iodo-azulene","","- C22 H19 I S -","- C22 H19 I S -","- C88 H76 I4 S4 -","4","1","","Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 1-iodo-3-{[4-(<i>tert</i>-butylsulfanyl)phenyl]ethynyl}azulene","Acta Crystallographica Section E","2015","71","8","o544","o545","10.1107/S2056989015012542","","","0.71073","MoKα","","0.0245","0.021","","","0.057","0.0594","","","","","","1.039","","","","has coordinates,has Fobs","139978","2020-10-21","18:00:00",""
"2240901","8.7451","0.0003","21.2453","0.0006","15.4537","0.0005","90","","95.631","0.003","90","","2857.32","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(diphenylthiophosphoryl)ferrocene","","- C34 H28 Fe P2 S2 -","- C34 H28 Fe P2 S2 -","- C136 H112 Fe4 P8 S8 -","4","1","HG5450","Tan, Yee Seng; Yeo, Chien Ing; Tiekink, Edward R. T.","A new monoclinic polymorph of 1,1'-bis(diphenylthiophosphoryl)ferrocene","Acta Crystallographica Section E","2015","71","8","886","889","10.1107/S2056989015012682","","","0.71073","MoKα","","0.0354","0.0287","","","0.0678","0.0728","","","","","","1.048","","","","has coordinates,has Fobs","139979","2020-10-21","18:00:00",""
"2240902","6.2846","0.0001","13.8914","0.0001","19.5592","0.0002","90","","90","","90","","1707.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinolin-1-one","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Caracelli, Ignez; Hino, Camila Lury; Zukerman-Schpector, Julio; Biaggio, Francisco Carlos; Tiekink, Edward R. T.","Crystal structure of 3-hydroxymethyl-1,2,3,4-tetrahydroisoquinolin-1-one","Acta Crystallographica Section E","2015","71","8","o558","o559","10.1107/S2056989015012670","","","1.54184","CuKα","","0.0264","0.0262","","","0.0698","0.0699","","","","","","1.055","","","","has coordinates,has Fobs","140986","2020-10-21","18:00:00",""
"2240903","9.5147","0.0005","10.4479","0.0006","11.4082","0.0006","96.789","0.002","93.287","0.002","90.945","0.002","1123.96","0.11","115","","115","","","","","","","","","4","P -1","-P 1","2","","Bis(cyclohexylammonium) succinate succinic acid","","- C20 H38 N2 O8 -","- C20 H38 N2 O8 -","- C40 H76 N4 O16 -","2","1","ZS2336","Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of the bis(cyclohexylammonium) succinate succinic acid salt adduct","Acta Crystallographica Section E","2015","71","8","899","901","10.1107/S2056989015012621","","","0.71073","MoKα~1~","","0.0551","0.0427","","","0.1076","0.1152","","","","","","1.029","","","","has coordinates,has Fobs","140987","2020-10-21","18:00:00",""
"2240904","8.4096","0.0005","10.9626","0.0006","11.5056","0.0004","71.241","0.004","86.537","0.004","86.803","0.005","1001.79","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-carboxy-6-methylpyridine-2-carboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'))(nitrato-κ<i>O</i>)cadmium] methanol monosolvate","","- C37 H32 Cd2 N8 O15 -","- C37 H32 Cd2 N8 O15 -","- C37 H32 Cd2 N8 O15 -","1","0.5","SJ5468","Granifo, Juan; Suarez, Sebastián; Baggio, Ricardo","Structure of a dinuclear cadmium complex with 2,2'-bipyridine, monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands: intramolecular carbonyl(lone pair)···π(ring) and nitrate(π)···π(ring) interactions.","Acta Crystallographica Section E","2015","71","8","890","894","10.1107/S2056989015012384","","","0.71073","MoKα","","0.0462","0.0359","","","0.0846","0.092","","","","","","1.011","","","","has coordinates,has Fobs","140988","2020-10-21","18:00:00",""
"2240905","7.6702","0.0001","12.6492","0.0003","22.9821","0.0005","90","","90","","90","","2229.77","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","8","o562","o563","10.1107/S2056989015012797","","","1.54184","CuKα","","0.0401","0.035","","","0.0995","0.1056","","","","","","1.025","","","","has coordinates,has Fobs","140989","2020-10-21","18:00:00",""
"2240906","25.531","0.002","9.5351","0.0008","6.933","0.0004","90","","90","","90","","1687.8","0.2","200","","200","","","","","","","","","5","C m c 21","C 2c -2","36","","<i>catena</i>-Poly[calcium-di-μ~3~-benzoato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>-μ~2~-(dimethyl sulfoxide)-κ^2^<i>O</i>:<i>O</i>]","","- C16 H16 Ca O5 S -","- C16 H16 Ca O5 S -","- C64 H64 Ca4 O20 S4 -","4","0.5","ZS2334","Voronova, Anna S.; Petrusenko, Svitlana R.; Goreshnik, Evgeny","Crystal structure of <i>catena-</i>poly[calcium-di-μ~3~-benzoato-κ^6^<i>O</i>,<i>O</i>':<i>O</i>-μ~2~-(dimethyl sulfoxide)-κ^2^<i>O</i>:<i>O</i>]","Acta Crystallographica Section E","2015","71","8","906","909","10.1107/S2056989015012487","","","0.71069","MoKα","","0.0525","0.0444","","","0.0939","0.103","","","","","","1.131","","","","has coordinates,has Fobs","140990","2020-10-21","18:00:00",""
"2240907","9.6917","0.0005","16.051","0.0007","18.3549","0.0007","90","","90","","90","","2855.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sepaconitine","(1α,14α,16β)-20-Ethyl-8,9,10-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate","","- C30 H42 N2 O8 -","- C30 H42 N2 O8 -","- C120 H168 N8 O32 -","4","1","","Shi, Xin-Wei; Lu, Qiang-Qiang; Zhou, Jun-Hui; Cui, Xin-Ai","Crystal structure of sepaconitine, a C~19~-diterpenoid alkaloid from the roots of <i>Aconitum sinomontanum</i> Nakai","Acta Crystallographica Section E","2015","71","8","o550","o551","10.1107/S205698901501258X","","","1.54178","CuKα","","0.0548","0.0461","","","0.1197","0.1259","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","140991","2020-10-21","18:00:00",""
"2240908","23.091","0.007","3.7704","0.0018","10.729","0.005","90","","90","","90","","934.1","0.7","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","7,8-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl2 O3 -","- C10 H4 Cl2 O3 -","- C40 H16 Cl8 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 7,8-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","8","902","905","10.1107/S205698901501275X","","","0.71069","MoKα","","","0.0249","","","","0.0565","","","","","","1.05","","","","has coordinates,has Fobs","140992","2020-10-21","18:00:00",""
"2240909","7.2959","0.0009","9.4963","0.0012","11.028","0.0014","97.709","0.003","107.953","0.003","105.155","0.003","682.13","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-[2-(Benzyloxy)benzylidene]malononitrile","2-{[2-(Benzyloxy)phenyl]methylidene}propanedinitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","HB7442","Yousuf, Sammer; Bano, Huma; Muhammad, Munira Taj; Khan, Khalid Mohammed","Crystal structure of 2-[2-(benzyloxy)benzylidene]malononitrile","Acta Crystallographica Section E","2015","71","8","o560","o561","10.1107/S2056989015012608","","","0.71073","MoKα","","0.0726","0.0449","","","0.0966","0.1118","","","","","","1.008","","","","has coordinates,has Fobs","140993","2020-10-21","18:00:00",""
"2240910","10.8458","0.0002","8.0139","0.0001","16.4295","0.0002","90","","96.709","0.001","90","","1418.23","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-3-(2-methylphenylsulfinyl)-1-benzofuran","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","CV5492","Choi, Hong Dae; Lee, Uk","Crystal structure of 2,5-dimethyl-3-(2-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2015","71","8","o554","o555","10.1107/S2056989015012773","","","0.71073","MoKα","","0.0426","0.0374","","","0.099","0.1026","","","","","","1.049","","","","has coordinates,has Fobs","140994","2020-10-21","18:00:00",""
"2240911","8.2203","0.0012","9.3822","0.0014","12.314","0.0018","90.15","0.002","109.201","0.002","106.212","0.002","856.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[5-Chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C19 H12 Cl F3 O3 -","- C19 H12 Cl F3 O3 -","- C38 H24 Cl2 F6 O6 -","2","1","HB7451","Dalal, Aarti; Kamboj, Ramesh C.; Kumar, Dinesh; Sharma, Mahender Kumar; Selvarajan, Nagendran","Crystal structure of (<i>Z</i>)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2015","71","8","o556","o557","10.1107/S2056989015012748","","","0.71073","MoKα","","0.0777","0.0679","","","0.1822","0.1906","","","","","","1.101","","","","has coordinates,has Fobs","140995","2020-10-21","18:00:00",""
"2240912","13.912","0.0002","22.6152","0.0002","14.4875","0.0003","90","","116.331","0.002","90","","4085.18","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hexakis(dmpu)-di-μ-ηydroxodialuminium iodide tetra(dmpu) solvate","Di-μ~2~-hydroxido-bis{tris[1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one-κ<i>O</i>]aluminium} tetraiodide 1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one tetrasolvate","","- C60 H122 Al2 I4 N20 O12 -","- C60 H122 Al2 I4 N20 O12 -","- C120 H244 Al4 I8 N40 O24 -","2","0.5","WM5176","Lundberg, Daniel; Lyczko, Krzysztof","Crystal structure of hexakis(dmpu)-di-μ~2~-hydroxido-dialuminium tetraiodide dmpu tetrasolvate [dmpu is 1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-one]: a centrosymmetric dinuclear aluminium complex containing AlO~5~ polyhedra","Acta Crystallographica Section E","2015","71","8","895","898","10.1107/S2056989015012785","","","1.54184","CuKα","","0.0314","0.0297","","","0.0768","0.0778","","","","","","1.099","","","","has coordinates,has Fobs","140996","2020-10-21","18:00:00",""
"2240913","9.3742","0.0003","4.76845","0.00012","11.0212","0.0003","90","","114.202","0.004","90","","449.35","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-6-Fluoro-2-[(<i>S</i>)-oxiran-2-yl]chroman","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C22 H22 F2 O4 -","2","1","","Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre","Crystal structure of (<i>R</i>)-6-fluoro-2-[(<i>S</i>)-oxiran-2-yl]chroman","Acta Crystallographica Section E","2015","71","8","o552","o553","10.1107/S205698901501261X","","","1.54184","CuKα","","0.0323","0.0318","","","0.0912","0.092","","","","","","1.096","","","","has coordinates,has Fobs","140997","2020-10-21","18:00:00",""
"2240914","10.4208","0.0002","11.2525","0.0003","12.355","0.0003","90","","95.37","0.001","90","","1442.39","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohex-2-enone","","- C14 H13 N O7 S -","- C14 H13 N O7 S -","- C56 H52 N4 O28 S4 -","4","1","SU5166","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of the enol form of mesotrione: a benzoylcyclohexanedione herbicide","Acta Crystallographica Section E","2015","71","8","o548","o549","10.1107/S2056989015012803","","","0.71073","MoKα","","0.0387","0.0356","","","0.0947","0.0967","","","","","","1.039","","","","has coordinates,has Fobs","140998","2020-10-21","18:00:00",""
"2240915","10.6663","0.0018","14.314","0.002","14.573","0.003","85.403","0.013","73.421","0.014","82.02","0.012","2109.9","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine monosolvate octahydrate","","- C84 H76 Co2 N18 O26 -","- C84 H76 Co2 N18 O26 -","- C84 H76 Co2 N18 O26 -","1","0.5","","Pook, Niels-Patrick; Hentrich, Philipp; Gjikaj, Mimoza","Crystal structure of bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine solvate octahydrate","Acta Crystallographica Section E","2015","71","8","910","914","10.1107/S2056989015013006","","","0.71073","MoKα","","0.1378","0.0736","","","0.1309","0.1539","","","","","","1.05","","","","has coordinates,has Fobs","146544","2020-10-21","18:00:00",""
"2240916","17.523","0.007","10.4","0.004","9.976","0.004","90","","97.032","0.007","90","","1804.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium 2-(4-isobutylphenyl)propanoate","","- C17 H29 N O5 -","- C17 H29 N O5 -","- C68 H116 N4 O20 -","4","1","","Lou, Benyong","Crystal structure of 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 2-(4-isobutylphenyl)propanoate: a simple organic salt of racemic ibuprofen","Acta Crystallographica Section E","2015","71","8","923","925","10.1107/S2056989015012979","","","0.71073","MoKα","","0.0738","0.058","","","0.1373","0.1477","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","146545","2020-10-21","18:00:00",""
"2240917","12.248","0.0013","13.3786","0.0014","23.465","0.002","90","","90","","90","","3845","0.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV)","","- C38 H56 I2 N4 Pd -","- C38 H56 I2 N4 Pd -","- C152 H224 I8 N16 Pd4 -","4","1","WM5179","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structures of diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV) and dichlorido[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^](triphenylphosphane-κ<i>P</i>)palladium(IV)","Acta Crystallographica Section E","2015","71","8","919","922","10.1107/S2056989015013055","","","0.71073","MoKα","","0.033","0.0291","","","0.0591","0.0606","","","","","","1.014","","","","has coordinates,has Fobs","146546","2020-10-21","18:00:00",""
"2240918","10.987","0.003","9.568","0.002","17.211","0.004","90","","107.478","0.004","90","","1725.8","0.7","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichlorido[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^](triphenylphosphane-κ<i>P</i>)palladium(IV)","","- C37 H43 Cl2 N2 P Pd -","- C37 H43 Cl2 N2 P Pd -","- C74 H86 Cl4 N4 P2 Pd2 -","2","1","WM5179","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structures of diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV) and dichlorido[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^](triphenylphosphane-κ<i>P</i>)palladium(IV)","Acta Crystallographica Section E","2015","71","8","919","922","10.1107/S2056989015013055","","","0.71073","MoKα","","0.07","0.0529","","","0.1062","0.1125","","","","","","0.922","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240919","12.6019","0.0013","9.3128","0.001","22.441","0.002","90","","98.805","0.002","90","","2602.6","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2'-[(2',4'-Difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one","","- C33 H26 F2 N2 O2 -","- C33 H26 F2 N2 O2 -","- C132 H104 F8 N8 O8 -","4","1","GK2637","Fathimunnisa, M.; Manikandan, H.; Selvanayagam, S.; Sridhar, B.","Crystal structure of 2'-[(2',4'-difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one","Acta Crystallographica Section E","2015","71","8","915","918","10.1107/S2056989015012931","","","0.71073","MoKα","","0.0726","0.0565","","","0.1435","0.1549","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","146547","2020-10-21","18:00:00",""
"2240920","7.873","0.0005","11.793","0.0008","13.533","0.0008","90","","99.896","0.002","90","","1237.79","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-hydroxy-3-{1-[(4-hydroxyphenyl)imino]ethyl}-6-methyl-2<i>H</i>-pyran-2-one","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","HB7460","Djedouani, Amel; Boufas, Sihem; Cleymand, Franck; François, Michel; Fleutot, Solenne","Crystal structure of (<i>E</i>)-4-hydroxy-3-{1-[(4-hydroxyphenyl)imino]ethyl}-6-methyl-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2015","71","8","o564","o565","10.1107/S2056989015012840","","","0.71073","MoKα","","0.0601","0.0472","","","0.1361","0.1476","","","","","","1.067","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240922","7.608","0.0003","11.8061","0.0005","12.3327","0.0005","65.242","0.004","73.956","0.004","75.724","0.004","955.81","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-Dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Adizov, Shahobiddin M.; Saidov, Abdusalom Sh.; Turgunov, Kambarali K.; Okmanov, Rasul Ya.; Tashkhodjaev, Bakhodir","Crystal structure of 2,3-dimethoxy-5,6,7,8,13,13a-hexahydro-6a,8-diazaindeno[2,1-<i>b</i>]phenanthrene methanol monosolvate","Acta Crystallographica Section E","2015","71","8","o574","o575","10.1107/S2056989015013286","","","1.54184","CuKα","","0.0576","0.04","","","0.1107","0.1204","","","","","","1.039","","","","has coordinates,has Fobs","152111","2020-10-21","18:00:00",""
"2240923","9.398","0.0015","14.005","0.0012","15.989","0.0013","90","","92.048","0.005","90","","2103.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 7-oxo-14-phenyl-1<i>H</i>,7<i>H</i>,14<i>H</i>-pyrano[3,2-<i>c</i>:5,4-<i>c</i>']dichromene-14a(6b<i>H</i>)-carboxylate]","","- C27 H20 O6 -","- C27 H20 O6 -","- C108 H80 O24 -","4","1","SU5160","Swaminathan, K.; Sethusankar, K.; Kumar, G. Siva; Bakthadoss, M.","Crystal structures and conformational analyses of three pyranochromene derivatives","Acta Crystallographica Section E","2015","71","8","926","930","10.1107/S2056989015012967","","","0.71073","MoKα","","0.049","0.0368","","","0.0956","0.1063","","","","","","1.073","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240924","11.1694","0.001","20.1405","0.0019","8.5835","0.0007","90","","96.453","0.003","90","","1918.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-oxo-6-phenyl-2,3,4,12b-tetrahydro-1<i>H</i>,6<i>H</i>-chromeno[3,4-<i>c</i>]chromene-6a(7<i>H</i>)-carboxylate]","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","SU5160","Swaminathan, K.; Sethusankar, K.; Kumar, G. Siva; Bakthadoss, M.","Crystal structures and conformational analyses of three pyranochromene derivatives","Acta Crystallographica Section E","2015","71","8","926","930","10.1107/S2056989015012967","","","0.71073","MoKα","","0.0761","0.0474","","","0.1322","0.1549","","","","","","0.993","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240925","11.4471","0.0005","11.2076","0.0004","16.5407","0.0007","90","","91.99","0.002","90","","2120.8","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(4-Ethylphenyl)-2,4-dimethyl-1,3-dioxo-2,3,4,12b-tetrahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a(7<i>H</i>)-carbonitrile]","","- C25 H23 N3 O4 -","- C25 H23 N3 O4 -","- C100 H92 N12 O16 -","4","1","SU5160","Swaminathan, K.; Sethusankar, K.; Kumar, G. Siva; Bakthadoss, M.","Crystal structures and conformational analyses of three pyranochromene derivatives","Acta Crystallographica Section E","2015","71","8","926","930","10.1107/S2056989015012967","","","0.71073","MoKα","","0.0623","0.044","","","0.1111","0.1261","","","","","","1.034","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240926","7.4358","0.0003","9.4165","0.0005","10.3934","0.0005","90.938","0.002","96.91","0.002","105.872","0.002","693.98","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-<i>N</i>-(furan-2-ylmethyl)-3-(3-nitrophenyl)propanamide","","- C15 H11 N3 O4 -","- C15 H11 N3 O4 -","- C30 H22 N6 O8 -","2","1","SU5161","Subhadramma, Shivanna; Siddaraju, Budanur Papaiah; Chandra, Naveen; Saravanan, Janardhanan; Gayathri, Dasararaju","Crystal structure of 2-cyano-<i>N</i>-(furan-2-ylmethyl)-3-(3-nitrophenyl)propanamide","Acta Crystallographica Section E","2015","71","8","o568","o569","10.1107/S2056989015012918","","","0.71073","MoKα","","0.0464","0.0387","","","0.1072","0.1155","","","","","","1.023","","","","has coordinates,has Fobs","152113","2020-10-21","18:00:00",""
"2240927","9.328","0.005","11.043","0.002","12.35","0.004","73.298","0.017","70.57","0.03","77.22","0.03","1137.9","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","Ethyl 8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","2","","Ishikawa, Yoshinobu; Yoshida, Nanako","Crystal structure of ethyl 8-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2015","71","8","o566","","10.1107/S2056989015013171","","","1.54178","CuKα","","","0.0656","","","","0.1844","","","","","","1.047","","","","has coordinates,has Fobs","152114","2020-10-21","18:00:00",""
"2240928","7.5723","0.0003","8.6376","0.0003","9.7354","0.0005","97.539","0.002","106.123","0.004","105.51","0.005","574.73","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-[Bis(1<i>H</i>-pyrazol-1-yl)methyl]pyridine","","- C12 H11 N5 -","- C12 H11 N5 -","- C24 H22 N10 -","2","1","","Son, Kyung-sun; Park, Jong-Eun; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 2-[bis(1<i>H</i>-pyrazol-1-yl)methyl]pyridine","Acta Crystallographica Section E","2015","71","8","o567","","10.1107/S2056989015013195","","","0.71073","MoKα","","0.081","0.047","","","0.1106","0.1228","","","","","","0.978","","","","has coordinates,has Fobs","152115","2020-10-21","18:00:00",""
"2240929","27.908","0.014","3.854","0.003","19.145","0.01","90","","123.75","0.04","90","","1712","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8-Bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C80 H40 Br8 O24 -","8","1","","Ishikawa, Yoshinobu","Crystal structure of 8-bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","8","o572","o573","10.1107/S2056989015013250","","","0.71069","MoKα","","","0.0373","","","","0.1016","","","","","","1.015","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240930","14.796","0.0007","10.4422","0.0004","21.7751","0.001","90","","108.352","0.003","90","","3193.2","0.2","296","2","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4-(Dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate","","- C11 H16 Fe N2 O10.5 -","- C11 H16 Fe N2 O10.5 -","- C88 H128 Fe8 N16 O84 -","8","1","VN2095","Djomo, Edith Dimitri; Capet, Frédéric; Nenwa, Justin; Bélombé, Michel M.; Foulon, Michel","Crystal structure of 4-(dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate","Acta Crystallographica Section E","2015","71","8","934","936","10.1107/S2056989015013213","","","0.71073","MoKα","","0.0669","0.0422","","","0.1077","0.123","","","","","","1.055","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240931","6.5625","0.0005","8.4574","0.0006","13.8553","0.001","78.747","0.006","79.374","0.006","88.864","0.006","741.17","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","sodium picloramate hexahydrate","Poly[[di-μ~2~-aqua-aquasodium] 4-amino-3,5,6-trichloropyridine-2-carboxylate trihydrate]","","- C6 H14 Cl3 N2 Na O8 -","- C6 H14 Cl3 N2 Na O8 -","- C12 H28 Cl6 N4 Na2 O16 -","2","1","WM5173","Smith, Graham","Crystal structure of poly[[di-μ~2~-aqua-aquasodium] 4-amino-3,5,6-trichloropyridine-2-carboxylate trihydrate], the sodium salt of the herbicide picloram","Acta Crystallographica Section E","2015","71","8","931","933","10.1107/S2056989015012633","","","0.71073","MoKα","","0.0394","0.0306","","","0.0818","0.0879","","","","","","1.001","","","","has coordinates,has Fobs","152118","2020-10-21","18:00:00",""
"2240932","9.0548","0.001","23.246","0.002","11.5613","0.0014","90","","100.483","0.003","90","","2392.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2,4-Trimethyl-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>][1,4]diazepine hemihydrate","","- C12 H19 N2 O0.5 -","- C12 H19 N2 O0.5 -","- C96 H152 N16 O4 -","8","2","","Ezhilarasi, K. S.; Akila, A.; Ponnuswamy, S.; Revathi, B. K.; Usha, G.","Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>][1,4]diazepine hemihydrate","Acta Crystallographica Section E","2015","71","8","o570","o571","10.1107/S2056989015013201","","","0.71073","MoKα","","0.1067","0.0508","","","0.1228","0.154","","","","","","1.025","","","","has coordinates,has Fobs","152119","2020-10-21","18:00:00",""
"2240933","11.709","0.0003","13.204","0.0004","35.738","0.0009","90","","90","","90","","5525.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 N2 O7 -","- C30 H42 N2 O7 -","- C240 H336 N16 O56 -","8","2","","Shi, Xin-Wei; Lu, Qiang-Qiang; Zhou, Jun-Hui; Cui, Xin-Ai","Crystal structure of <i>N</i>-deacetyllappaconitine","Acta Crystallographica Section E","2015","71","8","o576","o577","10.1107/S2056989015012335","","","1.54184","CuKα","","0.0455","0.0415","","","0.1078","0.1106","","","","","","1.016","","","","has coordinates,has Fobs","152120","2020-10-21","18:00:00",""
"2240934","11.2225","0.0003","14.8991","0.0004","17.2727","0.0005","90","","90","","90","","2888.08","0.14","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ferrocenylmethyl)dimethylammonium hydrogen oxalate","","- C15 H19 Fe N O4 -","- C15 H19 Fe N O4 -","- C120 H152 Fe8 N8 O32 -","8","1","WM5182","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of (ferrocenylmethyl)dimethylammonium hydrogen oxalate","Acta Crystallographica Section E","2015","71","8","947","949","10.1107/S205698901501333X","","","1.34139","GaKα","","0.0239","0.0223","","","0.0607","0.062","","","","","","1.032","","","","has coordinates,has Fobs","152268","2020-10-21","18:00:00",""
"2240935","5.5253","0.0014","7.4528","0.0019","10.839","0.004","83.51","0.02","85.79","0.03","77.39","0.03","432.2","0.2","294","","294","","","","","","","","","5","P -1","-P 1","2","<i>C</i>-2-Benzothiazole-<i>N</i>-methylnitrone","<i>N</i>-[(Benzothiazol-2-yl)methylidene]methylamine <i>N</i>-oxide","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C18 H16 N4 O2 S2 -","2","1","RZ5162","Doroschuk, Roman","Crystal structure of <i>C</i>-2-benzothiazole-<i>N</i>-methylnitrone","Acta Crystallographica Section E","2015","71","8","o578","o579","10.1107/S2056989015013262","","","0.71073","MoKα","","0.0457","0.0329","","","0.0834","0.0866","","","","","","1.003","","","","has coordinates,has Fobs","152269","2020-10-21","18:00:00",""
"2240936","11.7708","0.0003","13.3657","0.0003","16.1209","0.0004","94.056","0.002","92.059","0.002","97.882","0.002","2503.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate","","- C53 H52 Au2 Cl2 O2 P4 -","- C53 H52 Au2 Cl2 O2 P4 -","- C106 H104 Au4 Cl4 O4 P8 -","2","1","WM5185","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate","Acta Crystallographica Section E","2015","71","8","937","940","10.1107/S2056989015013341","","","0.71073","MoKα","","0.0462","0.037","","","0.0956","0.1038","","","","","","1.098","","","","has coordinates,has Fobs","152270","2020-10-21","18:00:00",""
"2240937","8.824","0.0002","21.134","0.0004","26.662","0.0007","90","","90","","90","","4972.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-Tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane","","- C48 H75 B3 Cl6 O3 -","- C48 H75 B3 Cl6 O3 -","- C192 H300 B12 Cl24 O12 -","4","1","IS5406","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane","Acta Crystallographica Section E","2015","71","8","941","943","10.1107/S2056989015013390","","","0.71073","MoKα","","0.0573","0.0497","","","0.1172","0.1212","","","","","","1.152","","","","has coordinates,has Fobs","152271","2020-10-21","18:00:00",""
"2240938","10.6756","0.0003","11.5541","0.0003","15.9228","0.0004","90","","90","","90","","1964.03","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>S</i>,2<i>R</i>)-2-Hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate","","- C20 H25 Cl N2 O3 -","- C20 H25 Cl N2 O3 -","- C80 H100 Cl4 N8 O12 -","4","1","HB7464","Li, Yunli; Li, Zhanjun; Hu, Yanjie; Li, Wen","Crystal structure of 1-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate","Acta Crystallographica Section E","2015","71","8","o584","o585","10.1107/S2056989015013389","","","1.54184","CuKα","","0.0504","0.0438","","","0.1129","0.1211","","","","","","1.033","","","","has coordinates,has Fobs","201208","2020-10-21","18:00:00",""
"2240939","26.504","0.002","6.3668","0.0005","7.604","0.0006","90","","90","","90","","1283.14","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Stefani, Hélio A.; Ali, Bakhat; Tiekink, Edward R. T.","Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate","Acta Crystallographica Section E","2015","71","8","o582","o583","10.1107/S2056989015013353","","","0.71073","MoKα","","0.0363","0.0338","","","0.0911","0.0934","","","","","","1.058","","","","has coordinates,has Fobs","152273","2020-10-21","18:00:00",""
"2240940","18.017","0.008","5.549","0.003","8.017","0.005","90","","92.49","0.04","90","","800.8","0.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Oxo-4<i>H</i>-chromene-3-carboxylic acid","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 4-oxo-4<i>H</i>-chromene-3-carboxylic acid","Acta Crystallographica Section E","2015","71","8","o580","o581","10.1107/S2056989015013456","","","0.71069","MoKα","","","0.0466","","","","0.1241","","","","","","1.037","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240941","24.1525","0.0005","24.1525","0.0005","9.65","0.0002","90","","90","","120","","4875.08","0.17","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","3-Amino-2-propylquinazolin-4(3<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C198 H234 N54 O18 -","18","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 3-amino-2-propylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","8","o590","o591","10.1107/S2056989015013134","","","1.54184","CuKα","","0.0437","0.0399","","","0.1138","0.1202","","","","","","1.056","","","","has coordinates,has Fobs","152443","2020-10-21","18:00:00",""
"2240942","8.1079","0.001","8.8699","0.001","9.1714","0.0012","101.136","0.006","97.799","0.007","98.783","0.006","630.22","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-5-(2-chloroethyl)-3-(propan-2-ylidene)indolin-2-one","","- C13 H13 Cl2 N O -","- C13 H13 Cl2 N O -","- C26 H26 Cl4 N2 O2 -","2","1","SU5151","Roopashree, K. R.; Meti, Gangadhar Y.; Kamble, Ravindra R.; Devarajegowda, H. C.","Crystal structure of 6-chloro-5-(2-chloroethyl)-3-(propan-2-ylidene)indolin-2-one","Acta Crystallographica Section E","2015","71","8","o592","o593","10.1107/S2056989015012268","","","0.71073","MoKα","","0.0883","0.0453","","","0.1332","0.1615","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","152444","2020-10-21","18:00:00",""
"2240943","8.3169","0.0004","13.8064","0.0006","19.9243","0.0009","90","","90","","90","","2287.84","0.18","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","preaustinoid A1","(5a<i>R</i>,7a<i>S</i>,8<i>R</i>,10<i>S</i>,12<i>R</i>,13a<i>R</i>,13b<i>S</i>)-Methyl 10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxohexadecahydro-8,12-methanocycloocta[3,4]benzo[1,2-<i>c</i>]oxepine-8-carboxylate","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Stierle, Andrea; Stierle, Donald; Decato, Daniel","Crystal structure and absolute configuration of preaustinoid A1","Acta Crystallographica Section E","2015","71","8","o596","o597","10.1107/S2056989015013614","","","1.54178","CuKα","","0.0611","0.0566","","","0.1183","0.1203","","","","","","1.165","","","","has coordinates,has Fobs","152445","2020-10-21","18:00:00",""
"2240944","13.5772","0.0005","9.3722","0.0004","22.8756","0.001","90","","99.974","0.002","90","","2866.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Nuarimol","(<i>RS</i>)-(2-Chlorophenyl)(4-fluorophenyl)(pyrimidin-5-yl)methanol","","- C17 H12 Cl F N2 O -","- C17 H12 Cl F N2 O -","- C136 H96 Cl8 F8 N16 O8 -","8","2","HB7465","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of nuarimol","Acta Crystallographica Section E","2015","71","8","o586","o587","10.1107/S2056989015013493","","","0.71073","MoKα","","0.0516","0.0378","","","0.0867","0.0942","","","","","","1.024","","","","has coordinates,has Fobs","152446","2020-10-21","18:00:00",""
"2240945","14.3279","0.0006","11.2539","0.0005","16.2967","0.0007","90","","94.546","0.001","90","","2619.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-Trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine","","- C10 H12 Cl3 N Te -","- C10 H12 Cl3 N Te -","- C80 H96 Cl24 N8 Te8 -","8","2","RK2431","Askerov, Rizvan K.; Lukiyanova, Julia M.; Matsulevich, Zhanna V.; Borisov, Alexander V.; Khrustalev, Victor N.","Crystal structure of <i>rac</i>-(3a<i>R</i>*,9a<i>S</i>*)-4,4,4-trichloro-1,2,3,3a,4,9a-hexahydro-4λ^5^,9λ^4^-cyclopenta[4,5][1,3]tellurazolo[3,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2015","71","8","o598","o599","10.1107/S2056989015012311","","","0.71073","MoKα","","0.0405","0.03","","","0.0561","0.0586","","","","","","1.076","","","","has coordinates,has Fobs","152447","2020-10-21","18:00:00",""
"2240946","21.676","0.001","7.6446","0.0005","20.5444","0.0008","90","","95.065","0.005","90","","3391","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide","","- C16 H21 Cl N4 O2 -","- C16 H21 Cl N4 O2 -","- C128 H168 Cl8 N32 O16 -","8","2","","Al-Alshaikh, Monirah A.; El-Emam, Ali A.; Al-Deeb, Omar A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","Acta Crystallographica Section E","2015","71","8","956","959","10.1107/S2056989015013298","","","1.54184","CuKα","","0.1314","0.0663","","","0.1423","0.1848","","","","","","1.007","","","","has coordinates,has Fobs","152448","2020-10-21","18:00:00",""
"2240947","20.5012","0.0003","7.4565","0.0001","23.1414","0.0003","90","","90.639","0.001","90","","3537.34","0.08","100.5","0.4","100.5","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4-Phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","","- C17 H23 Cl N4 O2 -","- C17 H23 Cl N4 O2 -","- C136 H184 Cl8 N32 O16 -","8","1","","Al-Alshaikh, Monirah A.; El-Emam, Ali A.; Al-Deeb, Omar A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","Acta Crystallographica Section E","2015","71","8","956","959","10.1107/S2056989015013298","","","1.5418","CuKα","","0.0501","0.0443","","","0.1158","0.1221","","","","","","1.031","","","","has coordinates,has Fobs","152448","2020-10-21","18:00:00",""
"2240948","10.4087","0.0018","8.5848","0.0015","13.095","0.002","90","","90","","90","","1170.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-Dimethylmaleic anhydride","3,4-Dimethylfuran-2,5-dione","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","1","ZS2339","Wiscons, Ren A.; Zeller, Matthias; Rowsell, Jesse L. C.","Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction","Acta Crystallographica Section E","2015","71","8","950","955","10.1107/S2056989015013419","","","0.71073","MoKα","","0.0406","0.0371","","","0.0982","0.1013","","","","","","1.073","","","","has coordinates,has Fobs","152449","2020-10-21","18:00:00",""
"2240949","10.0676","0.0002","8.0279","0.0001","40.9129","0.0007","90","","90","","90","","3306.65","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pyriproxyfen","4-Phenoxyphenyl (<i>RS</i>)-2-[(pyridin-2-yl)oxy]propyl ether","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","HB7462","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of pyriproxyfen","Acta Crystallographica Section E","2015","71","8","o588","","10.1107/S2056989015013481","","","0.71073","MoKα","","0.0739","0.0556","","","0.14","0.1481","","","","","","1.04","","","","has coordinates,has Fobs","152450","2020-10-21","18:00:00",""
"2240950","9.8184","0.0002","11.3286","0.0003","18.9569","0.0005","90","","90","","90","","2108.55","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metobromuron","3-(4-Bromophenyl)-1-methoxy-1-methylurea","","- C9 H11 Br N2 O2 -","- C9 H11 Br N2 O2 -","- C72 H88 Br8 N16 O16 -","8","1","HG5451","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of metobromuron","Acta Crystallographica Section E","2015","71","8","o589","","10.1107/S205698901501347X","","","0.71073","MoKα","","0.0466","0.029","","","0.0603","0.0663","","","","","","1.033","","","","has coordinates,has Fobs","152451","2020-10-21","18:00:00",""
"2240951","7.3739","0.0004","7.8148","0.0004","15.8149","0.0007","90.158","0.002","99.486","0.002","113.301","0.002","823.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-[(2-sulfanylquinolin-3-yl)methylidene]malonate","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C34 H34 N2 O8 S2 -","2","1","JJ2194","Rihanabanu; Anitha, B. R.; Meenakshi, T. G.; Kumar, K. Mahesh; Devarajegowda, H. C.","Crystal structure of diethyl 2-[(2-sulfanylquinolin-3-yl)methylidene]malonate","Acta Crystallographica Section E","2015","71","8","o594","o595","10.1107/S2056989015013596","","","0.71073","MoKα","","0.0792","0.0615","","","0.1918","0.2134","","","","","","1.044","","","","has coordinates,has Fobs","152452","2020-10-21","18:00:00",""
"2240952","7.641","0.005","8.04","0.005","14.917","0.006","83.91","0.03","79.86","0.04","81.49","0.04","889.1","0.9","298","2","298","1","","","","","","","","5","P -1","-P 1","2","","1,2,3-Tribromo-5-nitrobenzene","","- C6 H2 Br3 N O2 -","- C6 H2 Br3 N O2 -","- C24 H8 Br12 N4 O8 -","4","2","HB7459","Romero, José A.; Aguirre Hernández, Gerardo; Bernès, Sylvain","Anomalous halogen bonds in the crystal structures of 1,2,3-tribromo-5-nitrobenzene and 1,3-dibromo-2-iodo-5-nitrobenzene","Acta Crystallographica Section E","2015","71","8","960","964","10.1107/S2056989015013377","","","0.71073","MoKα","","0.111","0.066","","","0.1593","0.1963","","","","","","1.473","","","","has coordinates,has Fobs","152453","2020-10-21","18:00:00",""
"2240953","13.548","0.003","20.037","0.003","9.123","0.002","90","","130.37","0.02","90","","1886.8","0.9","298","1","298","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dibromo-2-iodo-5-nitrobenzene","","- C6 H2 Br2 I N O2 -","- C6 H2 Br2 I N O2 -","- C48 H16 Br16 I8 N8 O16 -","8","2","HB7459","Romero, José A.; Aguirre Hernández, Gerardo; Bernès, Sylvain","Anomalous halogen bonds in the crystal structures of 1,2,3-tribromo-5-nitrobenzene and 1,3-dibromo-2-iodo-5-nitrobenzene","Acta Crystallographica Section E","2015","71","8","960","964","10.1107/S2056989015013377","","","0.71073","MoKα","","0.2067","0.0609","","","0.1082","0.1529","","","","","","0.953","","","","has coordinates,has Fobs","152453","2020-10-21","18:00:00",""
"2240954","10.7729","0.0008","12.6361","0.0008","12.625","0.001","90","","92.992","0.003","90","","1716.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 3-(3-fluorophenyl)-1-methyl-1,3a,4,9b-tetrahydro-3<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C19 H18 F N O3 S -","- C19 H18 F N O3 S -","- C76 H72 F4 N4 O12 S4 -","4","1","SU5169","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; SubbiahPandi, A.","Crystal structure of methyl 3-(3-fluorophenyl)-1-methyl-1,3a,4,9b-tetrahydro-3<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","8","o600","o601","10.1107/S2056989015013651","","","0.71073","MoKα","","0.0556","0.041","","","0.1034","0.1225","","","","","","0.988","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240955","8.5839","0.0002","11.8474","0.0002","17.5317","0.0004","90","","102.199","0.001","90","","1742.66","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-(2-Methoxyphenyl)-3,4-dihydro-2<i>H</i>-indazolo[1,2-<i>b</i>]phthalazine-1,6,11(13<i>H</i>)-trione","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","SU5175","Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Bouaziz, Zouhair","Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2<i>H</i>-indazolo[1,2-<i>b</i>]phthalazine-1,6,11(13<i>H</i>)-trione","Acta Crystallographica Section E","2015","71","8","o604","o605","10.1107/S2056989015013894","","","0.71073","MoKα","","0.0752","0.0562","","","0.1461","0.1632","","","","","","1.033","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240956","22.097","0.002","13.146","0.002","23.607","0.003","90","","117.122","0.004","90","","6103.5","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[hemi(1,3-bis(2,6-diisopropyl)imidazolium) [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'- tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate]","","- C46 H67 Cl7 Cu4 N2 O16 -","- C46 H67 Cl7 Cu4 N2 O16 -","- C184 H268 Cl28 Cu16 N8 O64 -","4","0.5","SU5152","Iqbal, Mohammad; Raftery, James; Quayle, Peter","Crystal structure of <i>catena</i>-poly[hemi[1,3-bis(2,6-diisopropyl)imidazolium] [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'-tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate]","Acta Crystallographica Section E","2015","71","8","m148","m149","10.1107/S2056989015013675","","","0.71073","MoKα","","0.0839","0.0539","","","0.0897","0.0982","","","","","","0.977","","","","has coordinates,has Fobs","152535","2020-10-21","18:00:00",""
"2240957","7.43","0.0015","24.095","0.005","7.593","0.0015","90","","91.27","0.03","90","","1359","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-cyclobutane-1,1-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')dimanganese(II)]","","- C12 H14 Mn N O5 -","- C12 H14 Mn N O5 -","- C48 H56 Mn4 N4 O20 -","4","1","IM2468","Lee, Do Nam; Kim, Youngmee","Structure of poly[diaqua[μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-cyclobutane-1,1-dicarboxylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')dimanganese(II)]","Acta Crystallographica Section E","2015","71","8","m150","m151","10.1107/S2056989015013791","","","0.71073","MoKα","","0.0474","0.0366","","","0.0936","0.0974","","","","","","1.063","","","","has coordinates,has Fobs","152536","2020-10-21","18:00:00",""
"2240958","11.2517","0.0004","14.5397","0.0006","16.7857","0.0006","76.561","0.003","89.989","0.003","78.836","0.003","2617.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(3-Bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one","","- C14 H11 Br O2 S -","- C14 H11 Br O2 S -","- C112 H88 Br8 O16 S8 -","8","4","","Naik, Vasant S.; Shettigar, Venkataraya; Berglin, Tyler S.; Coburn, Jillian S.; Jasinski, Jerry P.; Yathirajan, Hemmige S.","Crystal structures of (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","8","966","972","10.1107/S2056989015013420","","","1.54184","CuKα","","0.0758","0.0473","","","0.1342","0.1678","","","","","","1.013","","","","has coordinates,has Fobs","152537","2020-10-21","18:00:00",""
"2240959","13.4748","0.0007","8.3853","0.0003","25.0214","0.0009","90","","93.957","0.004","90","","2820.4","0.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(2<i>E</i>)-1-(3-Bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C15 H13 Br O3 S -","- C15 H13 Br O3 S -","- C120 H104 Br8 O24 S8 -","8","1","","Naik, Vasant S.; Shettigar, Venkataraya; Berglin, Tyler S.; Coburn, Jillian S.; Jasinski, Jerry P.; Yathirajan, Hemmige S.","Crystal structures of (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","8","966","972","10.1107/S2056989015013420","","","1.54184","CuKα","","0.0803","0.0737","","","0.1813","0.1873","","","","","","1.044","","","","has coordinates,has Fobs","152537","2020-10-21","18:00:00",""
"2240960","7.4011","0.0002","10.6609","0.0002","11.1857","0.0002","67.265","0.001","86.593","0.001","79.384","0.001","800","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","TK5377","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran","Acta Crystallographica Section E","2015","71","8","o602","o603","10.1107/S2056989015013687","","","0.71073","MoKα","","0.0454","0.035","","","0.0831","0.0874","","","","","","1.047","","","","has coordinates,has Fobs","152538","2020-10-21","18:00:00",""
"2240961","10.2867","0.0004","17.0328","0.0007","26.8808","0.0011","90","","90","","90","","4709.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zn CbzMOF - MeOH","Poly[[[μ~4~-5-(9<i>H</i>-carbazol-9-yl)isophthalato][μ~3~-5-(9<i>H</i>-carbazol-9-yl)isophthalato]bis(dimethylformamide)(methanol)dizinc] dimethylformamide monosolvate]","","- C50 H47 N5 O12 Zn2 -","- C50 H47 N5 O12 Zn2 -","- C200 H188 N20 O48 Zn8 -","4","1","WM5180","Lifshits, Liubov M.; Campana, Charles; Klosterman, Jeremy K.","Crystal structure of poly[[[μ~4~-5-(9<i>H</i>-carbazol-9-yl)isophthalato][μ~3~-5-(9<i>H</i>-carbazol-9-yl)isophthalato]bis(dimethylformamide)(methanol)dizinc] dimethylformamide monosolvate]","Acta Crystallographica Section E","2015","71","8","m152","m153","10.1107/S2056989015013961","","","1.54178","CuKα","","0.0189","0.0188","","","0.0451","0.0452","","","","","","1.08","","","","has coordinates,has Fobs","153018","2020-10-21","18:00:00",""
"2240962","7.357","0.0003","15.001","0.001","7.318","0.0005","90","","91.017","0.004","90","","807.5","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-dihydroxy-6-methylacetophenone","1-(2,4-Dihydroxy-6-methylphenyl)ethanone","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Prabpai, Samran; Kongsaeree, Palangpon","Crystal structure of 1-(2,4-dihydroxy-6-methylphenyl)ethanone","Acta Crystallographica Section E","2015","71","8","o612","o613","10.1107/S2056989015013468","","","0.71073","MoKα","","0.0751","0.0532","","","0.1318","0.1497","","","","","","1.028","","","","has coordinates,has Fobs","153019","2020-10-21","18:00:00",""
"2240963","27.9186","0.0007","17.2843","0.0005","10.757","0.0003","90","","98.204","0.002","90","","5137.7","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]","","- C52 H56 Cu2 N4 O10 -","- C52 H56 Cu2 N4 O10 -","- C208 H224 Cu8 N16 O40 -","4","1","XU5858","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Dilek, Nefise; Hökelek, Tuncer","Crystal structure of tetrakis(μ-2,4,6-trimethylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(nicotinamide-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2015","71","8","989","992","10.1107/S2056989015013882","","","0.71073","MoKα","","0.0696","0.0416","","","0.0878","0.0993","","","","","","1.025","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240964","7.8161","0.0003","8.3179","0.0003","21.6998","0.0006","97.773","0.003","99.672","0.003","95.329","0.003","1368.26","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(±)-1-({[4-(Allyloxy)phenyl]sulfanyl}methyl)-2-(diphenylthiophosphoryl)ferrocene","","- C32 H29 Fe O P S2 -","- C32 H29 Fe O P S2 -","- C64 H58 Fe2 O2 P2 S4 -","2","1","IS5405","Michelot, Audric; Sarda, Stéphanie; Daran, Jean-Claude; Deydier, Eric; Manoury, Eric","Crystal structure of (±)-1-({[4-(allyloxy)phenyl]sulfanyl}methyl)-2-(diphenylthiophosphoryl)ferrocene","Acta Crystallographica Section E","2015","71","8","972","975","10.1107/S2056989015013560","","","0.71073","MoKα","","0.0503","0.0441","","","0.1165","0.1232","","","","","","1.098","","","","has coordinates,has Fobs","153021","2020-10-21","18:00:00",""
"2240965","14.0714","0.0006","12.1888","0.0004","21.3543","0.0007","90","","90","","90","","3662.6","0.2","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","","- C26 H46 Cl2 Fe4 O14 -","- C26 H46 Cl2 Fe4 O14 -","- C104 H184 Cl8 Fe16 O56 -","4","0.5","CV5491","Richers, Casseday P.; Bertke, Jeffery A.; Gray, Danielle L.; Rauchfuss, Thomas B.","Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","Acta Crystallographica Section E","2015","71","8","976","979","10.1107/S2056989015013535","","","0.71073","MoKα","","0.04","0.0282","","","0.0658","0.0699","","","","","","1.044","","","","has coordinates,has Fobs","153022","2020-10-21","18:00:00",""
"2240966","13.4231","0.0004","8.9892","0.0003","18.8407","0.0006","90","","90","","90","","2273.37","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7,8-Benzocoumarin-4-acetic acid","2-(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)acetic acid","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","","Swamy, R. Ranga; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","Crystal structure of 7,8-benzocoumarin-4-acetic acid","Acta Crystallographica Section E","2015","71","8","o617","o618","10.1107/S2056989015014103","","","0.71073","MoKα","","0.082","0.0441","","","0.1018","0.1375","","","","","","1.148","","","","has coordinates,has Fobs","153023","2020-10-21","18:00:00",""
"2240967","7.1927","0.0004","10.4082","0.0006","33.399","0.002","90","","91.473","0.004","90","","2499.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-1-{2-[4-(Dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane","","- C34 H37 N -","- C34 H37 N -","- C136 H148 N4 -","4","1","SU5171","Thekku Veedu, Sreevidya; Techert, Simone","Crystal structure of <i>trans</i>-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane","Acta Crystallographica Section E","2015","71","8","o629","o630","10.1107/S2056989015013729","","","0.71073","MoKα","","0.1086","0.0693","","","0.1751","0.1948","","","","","","1.073","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240968","30.2105","0.0012","17.2468","0.0006","10.7009","0.0004","90","","101.426","0.002","90","","5465","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[4-(methylsulfanyl)benzoato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","","- C28 H26 Cu N2 O6 S2 -","- C28 H26 Cu N2 O6 S2 -","- C224 H208 Cu8 N16 O48 S16 -","8","1","GW2152","Zhu, Jin-Li; Li, Jian-hua; Wang, Miao; Jiang, Guo-Min; Jiang, Guo-Qing","Crystal structure of aquabis[4-(methylsulfanyl)benzoato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section E","2015","71","8","980","982","10.1107/S205698901501364X","","","0.71073","MoKα","","0.0846","0.0496","","","0.1454","0.1776","","","","","","1.043","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2240969","8.4523","0.0008","14.0414","0.0012","15.1672","0.0011","90","","94.623","0.003","90","","1794.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","","Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Anbalagan, G.","Crystal structure of (<i>E</i>)-1-(1-hydroxynaphthalen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","8","o610","o611","10.1107/S2056989015013870","","","0.71073","MoKα","","0.0766","0.0436","","","0.1126","0.1444","","","","","","1.075","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240970","8.3606","0.0004","10.9186","0.0006","11.0971","0.0006","104.592","0.002","106.849","0.002","102.174","0.002","893.09","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-amino-4-(4-chlorophenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","","- C20 H16 Cl N O3 S -","- C20 H16 Cl N O3 S -","- C40 H32 Cl2 N2 O6 S2 -","2","1","SU5182","Bakhouch, Mohamed; Mahfoud, Asmae; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of ethyl 2-amino-4-(4-chlorophenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","Acta Crystallographica Section E","2015","71","8","o619","o620","10.1107/S2056989015014085","","","0.71073","MoKα","","0.0378","0.0332","","","0.0923","0.0971","","","","","","1.043","","","","has coordinates,has Fobs","153027","2020-10-21","18:00:00",""
"2240971","7.9626","0.0001","8.3518","0.0001","10.7127","0.0002","92.758","0.001","95.509","0.001","112.373","0.001","652.967","0.017","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 Cl F O2 S -","- C15 H10 Cl F O2 S -","- C30 H20 Cl2 F2 O4 S2 -","2","1","FY2120","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2015","71","8","o621","o622","10.1107/S2056989015013948","","","0.71073","MoKα","","0.0323","0.0299","","","0.0786","0.0806","","","","","","1.045","","","","has coordinates,has Fobs","153028","2020-10-21","18:00:00",""
"2240972","4.9641","0.0002","11.4351","0.0003","14.0023","0.0004","90","","90.743","0.002","90","","794.77","0.04","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(7-Methyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C34 H38 N2 O4 S4 -","2","1","ZL2626","Roopashree, K. R.; Meenakshi, T. G.; Kumar, K. Mahesh; Kotresh, O.; Devarajegowda, H. C.","Crystal structure of (7-methyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2015","71","8","o606","o607","10.1107/S2056989015013699","","","0.71073","MoKα","","0.0272","0.0256","","","0.0605","0.0615","","","","","","1.04","","","","has coordinates,has Fobs","153029","2020-10-21","18:00:00",""
"2240973","10.14078","0.00018","9.10361","0.00014","17.5991","0.0003","90","","100.185","0.0016","90","","1599.11","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Phaeosphaeride A","3,4-Dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-3,4-dihydro-2<i>H</i>,7<i>H</i>-pyrano[2,3-c]pyrrol-5(6<i>H</i>)-one","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","2","PK2560","Abzianidze, Victoria V.; Poluektova, Ekaterina V.; Bolshakova, Ksenia P.; Panikorovskii, Taras L.; Bogachenkov, Alexander S.; Berestetskiy, Alexander O.","Crystal structure of natural phaeosphaeride A","Acta Crystallographica Section E","2015","71","8","o625","o626","10.1107/S205698901501395X","","","1.54184","CuKα","","0.0592","0.058","","","0.1498","0.1504","","","","","","1.097","","","","has coordinates,has Fobs","153030","2020-10-21","18:00:00",""
"2240974","6.4235","0.0011","10.8139","0.0018","8.0123","0.0014","90","","109.462","0.002","90","","524.76","0.16","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-Dimethoxy-2,2'-bipyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","XU5860","Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi","Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine","Acta Crystallographica Section E","2015","71","8","o623","o624","10.1107/S2056989015013985","","","0.71073","MoKα","","0.0353","0.0325","","","0.0819","0.0836","","","","","","1.01","","","","has coordinates,has Fobs","153031","2020-10-21","18:00:00",""
"2240975","7.28","0.0003","8.041","0.0004","30.1792","0.0013","90","","95.29","0.003","90","","1759.12","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cafenstrole","<i>N</i>,<i>N</i>-Diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide","","- C16 H22 N4 O3 S -","- C16 H22 N4 O3 S -","- C64 H88 N16 O12 S4 -","4","1","HG5453","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of cafenstrole","Acta Crystallographica Section E","2015","71","8","o614","","10.1107/S2056989015013869","","","0.71073","MoKα","","0.0651","0.0509","","","0.1132","0.1182","","","","","","1.12","","","","has coordinates,has Fobs","153032","2020-10-21","18:00:00",""
"2240976","12.7019","0.0004","9.6216","0.0003","15.6213","0.0005","90","","93.6194","0.0012","90","","1905.31","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclosulfamuron","1-{[2-(Cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C68 H76 N20 O24 S4 -","4","1","HB7470","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of cyclosulfamuron","Acta Crystallographica Section E","2015","71","8","o631","o632","10.1107/S2056989015014115","","","0.71073","MoKα","","0.0467","0.0387","","","0.1053","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","153033","2020-10-21","18:00:00",""
"2240977","7.861","0.0011","8.2481","0.0011","9.8372","0.0013","100.786","0.008","106.708","0.008","99.492","0.009","583.67","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)]","","- C20 H30 Co2 O10 -","- C20 H30 Co2 O10 -","- C20 H30 Co2 O10 -","1","0.5","WM5186","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas B.","Crystal structure of di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)]","Acta Crystallographica Section E","2015","71","8","983","985","10.1107/S2056989015013663","","","0.71073","MoKα","","0.0442","0.0357","","","0.0873","0.0929","","","","","","1.05","","","","has coordinates,has Fobs","153034","2020-10-21","18:00:00",""
"2240978","23.3536","0.0005","9.0434","0.0002","4.9939","0.0001","90","","90","","90","","1054.69","0.04","139.9","0.6","140","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Potassium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate monohydrate","","- C5 H13 K O9 S -","- C5 H13 K O9 S -","- C20 H52 K4 O36 S4 -","4","1","LH5775","Haines, Alan H.; Hughes, David L.","Crystal structure of potassium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate monohydrate","Acta Crystallographica Section E","2015","71","8","993","996","10.1107/S2056989015014139","","","0.71073","Mo-Kα","","0.0186","0.0179","","","0.0476","0.0479","","","","","","1.123","","","","has coordinates,has Fobs","153035","2020-10-21","18:00:00",""
"2240979","8.593","0.0004","9.351","0.0003","14.697","0.0007","75.422","0.003","78.226","0.0019","70.194","0.003","1066.13","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","WR99210","4,6-Diamino-2,2-dimethyl-3-[3-(2,4,5-trichlorophenoxy)propoxy]-2,3-dihydro-1,3,5-triazin-1-ium chloride methanol monosolvate","","- C15 H23 Cl4 N5 O3 -","- C15 H23 Cl4 N5 O3 -","- C30 H46 Cl8 N10 O6 -","2","1","","Khongsuk, Pattarapol; Prabpai, Samran; Kongsaeree, Palangpon","Crystal structure of 4,6-diamino-2,2-dimethyl-3-[3-(2,4,5-trichlorophenoxy)propoxy]-2,3-dihydro-1,3,5-triazin-1-ium chloride methanol monosolvate","Acta Crystallographica Section E","2015","71","8","o608","o609","10.1107/S205698901501378X","","","0.71073","MoKα","","0.0381","0.0343","","","0.0836","0.0874","","","","","","1.059","","","","has coordinates,has Fobs","153036","2020-10-21","18:00:00",""
"2240980","9.5184","0.0004","10.4041","0.0005","10.6923","0.0004","81.27","0.002","66.626","0.002","74.385","0.002","934.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 7-phenyl-6a,7,7a,8,9,10-hexahydro-6<i>H</i>,11a<i>H</i>-thiochromeno[3,4-<i>b</i>]pyrrolizine-6a-carboxylate","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","SU5170","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.","Crystal structure of methyl 7-phenyl-6a,7,7a,8,9,10-hexahydro-6<i>H</i>,11a<i>H</i>-thiochromeno[3,4-<i>b</i>]pyrrolizine-6a-carboxylate","Acta Crystallographica Section E","2015","71","8","o627","o628","10.1107/S2056989015014024","","","0.71073","MoKα","","0.0601","0.0409","","","0.0983","0.1121","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240981","8.808","0.0008","9.5032","0.0008","16.9321","0.0014","84.237","0.002","81.674","0.002","85.652","0.003","1392.6","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","","Bis[4'-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate","","- C51 H66 Cl3 Co N8 O22 -","- C51 H66 Cl3 Co N8 O22 -","- C51 H66 Cl3 Co N8 O22 -","1","1","IS5400","Ohmagari, Hitomi; Nakaya, Manabu; Ohtani, Ryo; Nakamura, Masaaki; Hayami, Shinya","Crystal structure of bis[4'-(1,4,7,10-tetraoxa-13- azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate","Acta Crystallographica Section E","2015","71","8","997","999","10.1107/S2056989015014164","","","0.71075","MoKα","","0.1362","0.0856","","","0.2146","0.2561","","","","","","1.035","","","","has coordinates,has Fobs","153038","2020-10-21","18:00:00",""
"2240982","6.9645","0.0005","20.6924","0.0014","9.292","0.0007","90","","95.738","0.003","90","","1332.38","0.17","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Dimethylanilinium salicylate","2,5-Dimethylanilinium 2-hydroxybenzoate","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","HB7474","Mani, A.; Kumar, P. Praveen; Chakkaravarthi, G.","Crystal structure of 2,5-dimethylanilinium salicylate","Acta Crystallographica Section E","2015","71","9","o643","o644","10.1107/S2056989015014401","","","0.71073","MoKα","","0.0759","0.0465","","","0.1171","0.1342","","","","","","1.012","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240983","6.3081","0.0004","11.2191","0.0007","19.8399","0.0013","90","","96.133","0.005","90","","1396.06","0.15","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>S</i>-(4-Methylbenzyl) piperidinedithiocarbamate","","- C14 H19 N S2 -","- C14 H19 N S2 -","- C56 H76 N4 S8 -","4","1","LH5777","Rahima, Z. A.; Abdul Halim, Siti Nadiah; How, Fiona N.-F.","Crystal structure of <i>S</i>-(4-methylbenzyl) piperidinedithiocarbamate","Acta Crystallographica Section E","2015","71","9","o647","","10.1107/S2056989015014462","","","0.71073","MoKα","","0.117","0.0526","","","0.0912","0.1141","","","","","","1.009","","","","has coordinates,has Fobs","153369","2020-10-21","18:00:00",""
"2240984","24.182","0.007","10.744","0.003","40.003","0.011","90","","92.687","0.009","90","","10382","5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κ<i>O</i>)cobalt(II)","","- C36 H40 Br2 Co N4 O2 -","- C36 H40 Br2 Co N4 O2 -","- C432 H480 Br24 Co12 N48 O24 -","12","1.5","BG2562","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structure of dibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2015","71","9","m160","m161","10.1107/S2056989015014577","","","0.71073","MoKα","","0.1503","0.0525","","","0.0927","0.1095","","","","","","0.74","","","","has coordinates,has Fobs","153370","2020-10-21","18:00:00",""
"2240985","8.0828","0.0002","11.2035","0.0003","13.4718","0.0003","68.58","0.001","78.877","0.001","76.578","0.001","1096.76","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Methylamino-4-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one","","- C23 H16 N2 O7 -","- C23 H16 N2 O7 -","- C46 H32 N4 O14 -","2","1","SU5172","Raja, Rajamani; Kandhasamy, Subramani; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one with an unknown solvate","Acta Crystallographica Section E","2015","71","9","o645","o646","10.1107/S2056989015014413","","","0.71073","MoKα","","0.0491","0.0444","","","0.132","0.1357","","","","","","1.042","","","","has coordinates,has Fobs","153371","2020-10-21","18:00:00",""
"2240986","7.3217","0.0006","12.8128","0.0011","7.5202","0.0006","90","","102.215","0.002","90","","689.51","0.1","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","azidodicyanoimidazole","2-Azido-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C5 H N7 -","- C5 H N7 -","- C20 H4 N28 -","4","1","ZS2337","Windler, G. Kenneth; Scott, Brian L.; Tomson, Neil C.; Leonard, Philip W.","Crystal structure of 2-azido-1<i>H</i>-imidazole-4,5-dicarbonitrile","Acta Crystallographica Section E","2015","71","9","o633","","10.1107/S2056989015013444","","","0.71073","MoKα","","0.044","0.036","","","0.1132","0.1172","","","","","","1.556","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240987","11.1983","0.0003","14.6094","0.0004","16.3263","0.0004","90","","92.622","0.002","90","","2668.19","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2'-Bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene","","- C34 H24 Cl2 O2 -","- C34 H24 Cl2 O2 -","- C136 H96 Cl8 O8 -","4","1","SU5184","Raja, Rajamani; Jayanthi, Mani; Rajakumar, Perumal; SubbiahPandi, A.","Crystal structure of 2,2'-bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene","Acta Crystallographica Section E","2015","71","9","o637","o638","10.1107/S2056989015014322","","","0.71073","MoKα","","0.047","0.0424","","","0.1112","0.1162","","","","","","1.039","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240988","6.123","0.0013","7.5163","0.0017","23.347","0.005","90","","90","","90","","1074.5","0.4","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>R</i>)-2,2,7-Trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Macías, Mario A.; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria; Tibhe, Gaurao D.; Mombrú, Álvaro W.","Crystal structure and absolute configuration of (3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>R</i>)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol","Acta Crystallographica Section E","2015","71","9","1013","1016","10.1107/S2056989015014590","","","1.54178","CuKα","","0.0295","0.0294","","","0.0775","0.0776","","","","","","1.176","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240989","7.1792","0.0016","16.512","0.004","12.771","0.003","90","","101.557","0.003","90","","1483.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(1<i>H</i>-Imidazol-1-yl)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Yu, Ting-ting; Yang, Ming-Di; Pi, Jing-jing; Zhang, Yu-Bin; Yu, Jian-Hua","Crystal structure of 3-[4-(1<i>H</i>-imidazol-1-yl)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile","Acta Crystallographica Section E","2015","71","9","o635","","10.1107/S2056989015013730","","","0.71073","MoKα","","0.0471","0.036","","","0.0986","0.1046","","","","","","1.073","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240990","19.0538","0.001","13.1466","0.0007","19.961","0.001","90","","96.0042","0.0009","90","","4972.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-{[2,6-Bis(2,2,2-trifluoroacetamido)phenyl]disulfanyl}-3-(2,2,2-trifluoroacetamido)phenyl)-2,2,2-trifluoroacetamide","","- C20 H10 F12 N4 O4 S2 -","- C20 H10 F12 N4 O4 S2 -","- C160 H80 F96 N32 O32 S16 -","8","2","","Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.","Crystal structure of <i>N</i>-(2-{[2,6-bis(2,2,2-trifluoroacetamido)phenyl]disulfanyl}-3-(2,2,2-trifluoroacetamido)phenyl)-2,2,2-trifluoroacetamide","Acta Crystallographica Section E","2015","71","9","o639","o640","10.1107/S2056989015014231","","","0.71073","MoKα","","0.0554","0.0469","","","0.1254","0.1351","","","","","","1","","","","has coordinates,has disorder,has Fobs","153376","2020-10-21","18:00:00",""
"2240991","7.023","0.0005","7.6198","0.0007","9.7868","0.0006","69.709","0.007","89.242","0.005","75.191","0.007","473.27","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Amino-2-ethylquinazolin-4(3<i>H</i>)-one","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C20 H22 N6 O2 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.","Crystal structure of 3-amino-2-ethylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","9","o650","o651","10.1107/S2056989015014450","","","1.54184","CuKα","","0.0646","0.0614","","","0.1861","0.1958","","","","","","1.066","","","","has coordinates,has Fobs","153377","2020-10-21","18:00:00",""
"2240992","11.7432","0.001","16.6878","0.0014","18.9786","0.0016","93.4729","0.0011","95.9862","0.0012","100.085","0.0011","3629.9","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","Octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate","","- C46 H93 Cl4 O6 P5 Re6 S2 Se8 -","- C46 H93 Cl4 O6 P5 Re6 S2 Se8 -","- C92 H186 Cl8 O12 P10 Re12 S4 Se16 -","2","1","","Edwards, Julia A.; McDonald, Robert; Szczepura, Lisa F.","Crystal structure of octa-μ~3~-selenido-(<i>p</i>-toluenesulfonato-κ<i>O</i>)pentakis(triethylphosphane-κ<i>P</i>)-<i>octahedro</i>-hexarhenium(III) <i>p</i>-toluenesulfonate dichloromethane disolvate","Acta Crystallographica Section E","2015","71","9","m158","m159","10.1107/S2056989015014334","","","0.71073","MoKα","","0.059","0.0358","","","0.0869","0.0967","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","153379","2020-10-21","18:00:00",""
"2240993","8.5434","0.0004","8.7477","0.0004","11.053","0.0005","86.1868","0.0013","83.3739","0.0013","73.8746","0.0013","787.73","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Methyl-<i>N</i>-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C32 H34 N6 O2 S2 -","2","1","","Ameram, Nadiah; Adam, Farook","Crystal structure of 2-methyl-<i>N</i>-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide","Acta Crystallographica Section E","2015","71","9","o636","","10.1107/S2056989015013559","","","0.71073","MoKα","","0.0664","0.0447","","","0.1098","0.1287","","","","","","1.029","","","","has coordinates,has Fobs","153380","2020-10-21","18:00:00",""
"2240994","8.8682","0.0006","9.823","0.0006","6.5427","0.0004","90","","90","","90","","569.95","0.06","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","4-Amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C3 H6 N4 S -","- C3 H6 N4 S -","- C12 H24 N16 S4 -","4","0.5","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0383","0.0341","","","0.0812","0.0857","","","","","","1.138","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2240995","7.3112","0.0004","16.0793","0.0009","22.8994","0.0013","90","","90","","90","","2692","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(3,4-Dimethoxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C12 H14 N4 O2 S -","- C12 H14 N4 O2 S -","- C96 H112 N32 O16 S8 -","8","1","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0848","0.0565","","","0.1124","0.1232","","","","","","1.081","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2240996","4.4122","0.0004","14.745","0.0013","18.7911","0.0016","90","","95.828","0.003","90","","1216.19","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-(5-Bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H9 Br N4 O S -","- C10 H9 Br N4 O S -","- C40 H36 Br4 N16 O4 S4 -","4","1","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0885","0.0738","","","0.1263","0.131","","","","","","1.273","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2240997","11.4797","0.0009","8.8205","0.0007","11.802","0.001","90","","107.827","0.001","90","","1137.65","0.16","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DNI","4,5-Dinitro-1<i>H</i>-imidazole","","- C3 H2 N4 O4 -","- C3 H2 N4 O4 -","- C24 H16 N32 O32 -","8","2","ZS2338","Windler, G. Kenneth; Scott, Brian L.; Tomson, Neil C.; Leonard, Philip W.","Crystal structure of 4,5-dinitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2015","71","9","o634","","10.1107/S2056989015013432","","","0.71073","MoKα","","0.0446","0.0371","","","0.1144","0.1181","","","","","","1.601","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240998","9.294","0.0005","10.801","0.0007","12.747","0.0008","81.773","0.004","88.907","0.005","87.396","0.004","1265.02","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Phenylethanaminium 3-carboxyprop-2-enoate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","2","SU5183","Sowmya, N. Swarna; Sampathkrishnan, S.; Akilan, R.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of 2-phenylethanaminium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2015","71","9","o641","o642","10.1107/S2056989015014292","","","0.71073","MoKα","","0.1026","0.0569","","","0.1619","0.1986","","","","","","1.041","","","","has coordinates,has Fobs","153383","2020-10-21","18:00:00",""
"2240999","9.8438","0.0002","9.1897","0.0002","22.8948","0.0004","90","","90","","90","","2071.1","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^)-<i>trans</i>-bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cadmium]","","- C16 H18 Cd N12 O2 -","- C16 H18 Cd N12 O2 -","- C64 H72 Cd4 N48 O8 -","4","0.5","WM5187","Zhu, Jin-Li; Jiang, Guo -Qing; Guo, Xiao-Qing; Tang, Yan-Feng; Wang, Miao","Crystal structure of poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ^2^<i>N</i>^1^:<i>N</i>^3^)-<i>trans</i>-bis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)cadmium]","Acta Crystallographica Section E","2015","71","9","1022","1025","10.1107/S2056989015014516","","","0.71073","MoKα","","0.0601","0.0415","","","0.1338","0.1586","","","","","","1.069","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241000","8.678","0.004","13.743","0.007","18.999","0.01","94.913","0.007","90.583","0.007","91.316","0.007","2257","2","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","[6',6""-Bis(pyridin-2-yl)-2,2':4',4"":2"",2""'-quaterpyridine](2,2'-bipyridine)chloridoruthenium(II) hexafluoridophosphate","","- C40 H28 Cl F6 N8 P Ru -","- C40 H28 Cl F6 N8 P Ru -","- C80 H56 Cl2 F12 N16 P2 Ru2 -","2","1","PK2553","Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.","Crystal structure of a mononuclear Ru^II^ complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy‒tpy)]^+^","Acta Crystallographica Section E","2015","71","9","1017","1021","10.1107/S2056989015014632","","","0.71073","MoKα","","0.0992","0.0615","","","0.1203","0.1358","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","153387","2020-10-21","18:00:00",""
"2241001","7.601","0.006","11.715","0.009","13.791","0.01","90","","99.017","0.009","90","","1212.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(formato-κ<i>O</i>)bis[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cobalt(II)]","","- C26 H22 Co N8 O4 -","- C26 H22 Co N8 O4 -","- C52 H44 Co2 N16 O8 -","2","0.5","","Xu, Guo-Wang; Wang, Ye-Nan; Xia, Hong-Xu; Wang, Zhong-Long","Crystal structure of <i>catena</i>-poly[bis(formato-κ<i>O</i>)bis[μ~2~-1,1'-(1,4-phenylene)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]cobalt(II)]","Acta Crystallographica Section E","2015","71","9","m156","m157","10.1107/S2056989015014255","","","0.71073","MoKα","","0.0779","0.0525","","","0.1102","0.121","","","","","","1.069","","","","has coordinates,has Fobs","153388","2020-10-21","18:00:00",""
"2241002","8.4819","0.0007","9.9573","0.0009","13.7257","0.0012","97.667","0.001","95.243","0.001","110.716","0.001","1062.51","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N7 O7 Zn -","- C20 H21 N7 O7 Zn -","- C40 H42 N14 O14 Zn2 -","2","1","","Baisya, Siddhartha S.; Ghosh, Baidyanath; Roy, Parag S.","Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc trihydrate","Acta Crystallographica Section E","2015","71","9","m162","m163","10.1107/S2056989015014619","","","0.71073","MoKα","","0.0421","0.0393","","0.0894","0.0882","0.0894","","","","","","0.9418","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241003","12.215","0.0008","15.1836","0.0009","17.1801","0.001","90","","96.414","0.002","90","","3166.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[μ-1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>:<i>P</i>']bis[(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)iodidocopper(I)]","","- C62 H72 Cu2 I2 N4 P4 S2 -","- C62 H72 Cu2 I2 N4 P4 S2 -","- C124 H144 Cu4 I4 N8 P8 S4 -","2","0.5","TK5371","Khongsichan, Ladawan; Nimthong-Roldán, Arunpatcha; Pakawatchai, Chaveng; Wongnawa, Sumpun","Crystal structure of bis[μ-1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>:<i>P</i>']bis[(<i>N</i>,<i>N</i>'-diethylthiourea-κ<i>S</i>)iodidocopper(I)]","Acta Crystallographica Section E","2015","71","9","m154","m155","10.1107/S2056989015014176","","","1.54178","CuKα","","0.0248","0.0247","","","0.0629","0.063","","","","","","1.126","","","","has coordinates,has Fobs","153390","2020-10-21","18:00:00",""
"2241004","20.908","0.0013","4.7429","0.0002","10.681","0.0006","90","","96.419","0.003","90","","1052.54","0.1","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","1-[({5-[[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl]pentyl}iminiumyl)methyl]naphthalen-2-olate","1,1'-{(Pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C54 H52 N4 O4 -","2","0.5","","Ouari, Kamel; Merzougui, Moufida; Karmazin, Lydia","Crystal structure of 1,1'-{(pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)","Acta Crystallographica Section E","2015","71","9","1010","1012","10.1107/S2056989015014437","","","0.71073","MoKα","","0.0762","0.0491","","","0.1082","0.1196","","","","","","1.082","","","","has coordinates,has Fobs","153391","2020-10-21","18:00:00",""
"2241005","12.3444","0.0001","22.7302","0.0001","28.214","0.0002","90","","90","","90","","7916.59","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis[(phenylmethanamine-κ<i>N</i>)(phthalocyaninato-κ^4^<i>N</i>)zinc] phenylmethanamine trisolvate","","- C99 H77 N21 Zn2 -","- C99 H77 N21 Zn2 -","- C396 H308 N84 Zn8 -","4","1","HB7468","Shamsudin, Norzianah; Tan, Ai Ling; Wimmer, Franz L.; Young, David J.; Tiekink, Edward R. T.","Crystal structure of bis[(phenylmethanamine-κ<i>N</i>)(phthalocyaninato-κ^4^<i>N</i>)zinc] phenylmethanamine trisolvate","Acta Crystallographica Section E","2015","71","9","1026","1031","10.1107/S2056989015014280","","","1.54184","CuKα","","0.0431","0.0421","","","0.1129","0.114","","","","","","1.048","","","","has coordinates,has Fobs","153392","2020-10-21","18:00:00",""
"2241006","6.6238","0.0002","13.2232","0.0004","21.481","0.0007","90","","97.1674","0.0019","90","","1866.77","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimethomorph","(<i>E</i>)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one","","- C21 H22 Cl N O4 -","- C21 H22 Cl N O4 -","- C84 H88 Cl4 N4 O16 -","4","1","HG5456","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of dimethomorph","Acta Crystallographica Section E","2015","71","9","o654","","10.1107/S2056989015014735","","","0.71073","MoKα","","0.0693","0.0484","","","0.121","0.1333","","","","","","1.035","","","","has coordinates,has Fobs","153393","2020-10-21","18:00:00",""
"2241007","9.8816","0.0002","11.9237","0.0003","12.0616","0.0003","80.804","0.001","68.422","0.001","70.735","0.001","1246.36","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(6-Bromo-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one chloroform monosolvate","","- C23 H14 Br Cl3 N2 O7 -","- C23 H14 Br Cl3 N2 O7 -","- C46 H28 Br2 Cl6 N4 O14 -","2","1","HB7473","Raja, Rajamani; Kandhasamy, Subramani; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 4-(6-bromo-4-oxo-4<i>H</i>-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","9","o648","o649","10.1107/S2056989015014553","","","0.71073","MoKα","","0.0526","0.0428","","","0.113","0.1196","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","153394","2020-10-21","18:00:00",""
"2241008","10.9758","0.0005","20.7702","0.0009","12.7906","0.0006","90","","99.666","0.001","90","","2874.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Sodium potassium hexa-μ~3~-hydroxido-μ~2~-hydroxido-heptadecaoxidocobaltate(II)hexamolybdate(VI) octahydrate","","- Co H23 K Mo6 Na O32 -","- Co H23 K Mo6 Na O32 -","- Co4 H92 K4 Mo24 Na4 O128 -","4","1","","Park, Ki-Min; Joo, Hea-Chung; Lee, Uk","Crystal structure of potassium sodium heptahydrogen hexamolybdocobaltate(III) octahydrate: an extra-protonated <i>B</i>-series Anderson-type heteropolyoxidometalate","Acta Crystallographica Section E","2015","71","9","1032","1035","10.1107/S2056989015014784","","","0.71073","MoKα","","0.0775","0.0414","","","0.0713","0.0808","","","","","","1.055","","","","has coordinates,has Fobs","153395","2020-10-21","18:00:00",""
"2241009","3.7695","0.0013","6.1465","0.0016","39.431","0.013","90","","90.72","0.03","90","","913.5","0.5","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,7-Dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl2 O3 -","- C10 H4 Cl2 O3 -","- C40 H16 Cl8 O12 -","4","1","ZL2636","Ishikawa, Yoshinobu","Crystal structure of 6,7-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","9","o652","o653","10.1107/S2056989015014644","","","0.71069","MoKα","","0.0451","0.0336","","","0.0896","0.0975","","","","","","1.038","","","","has coordinates,has Fobs","153396","2020-10-21","18:00:00",""
"2241010","18.769","0.003","7.643","0.001","10.0578","0.0016","90","","90","","90","","1442.8","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Caracelli, Ignez; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.","Crystal structure of 2-methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone","Acta Crystallographica Section E","2015","71","9","o657","o658","10.1107/S2056989015014565","","","0.71073","MoKα","","0.0426","0.0314","","","0.0701","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","153457","2020-10-21","18:00:00",""
"2241011","24.078","0.0009","8.5585","0.0002","26.6841","0.001","90","","113.514","0.004","90","","5042.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)","","- C17 H18 N2 Pd S2 -","- C17 H18 N2 Pd S2 -","- C204 H216 N24 Pd12 S24 -","12","3","TK5379","Kondrashov, Mikhail; Fleckhaus, André; Gritcenko, Roman; Wendt, Ola F.","Crystal structure of (piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)","Acta Crystallographica Section E","2015","71","9","m166","","10.1107/S2056989015015005","","","0.71073","MoKα","","0.0937","0.0515","","","0.083","0.0963","","","","","","1.083","","","","has coordinates,has Fobs","153458","2020-10-21","18:00:00",""
"2241012","12.9004","0.0004","10.5012","0.0003","14.1343","0.0004","90","","99.819","0.005","90","","1886.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3,4-Dicyanophenoxy)-<i>N</i>-[3-(dimethylamino)propyl]benzamide monohydrate","","- C20 H22 N4 O3 -","- C20 H22 N4 O3 -","- C80 H88 N16 O12 -","4","1","SU5187","Çolak, Senem; Yıldız, Salih Zeki; Çaylak Delibaş, Nagihan; Pişkin, Hasan; Hökelek, Tuncer","Crystal structure of 4-(3,4-dicyanophenoxy)-<i>N</i>-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative","Acta Crystallographica Section E","2015","71","9","1042","1044","10.1107/S2056989015014991","","","0.71073","MoKα","","0.0705","0.0499","","","0.1213","0.1336","","","","","","1.028","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241013","8.8213","0.0003","12.3364","0.0003","12.7697","0.0004","108.992","0.002","93.9","0.003","92.457","0.003","1307.83","0.07","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-1,2-diphenylethane-1,2-\ diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate","","- C29 H28 Cl2 N2 O Pd -","- C29 H28 Cl2 N2 O Pd -","- C58 H56 Cl4 N4 O2 Pd2 -","2","1","","Peñaloza, Alfredo; Fronczek, Frank R.; Isovitsch, Ralph","Crystal structure of [<i>N</i>,<i>N</i>'-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate","Acta Crystallographica Section E","2015","71","9","m164","m165","10.1107/S2056989015014851","","","0.71073","MoKα","","0.043","0.0313","","","0.0617","0.066","","","","","","1.024","","","","has coordinates,has Fobs","153460","2020-10-21","18:00:00",""
"2241014","10.0704","0.0007","15.7994","0.0012","11.8632","0.0009","90","","98.886","0.003","90","","1864.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Rajni Swamy, V.; Krishnakumar, R.V.; Sivakumar, S.; Srinivasan, N.; Ranjith Kumar, R.","Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2015","71","9","o663","o664","10.1107/S2056989015014887","","","0.71073","MoKα","","0.1255","0.0495","","","0.1125","0.1465","","","","","","0.992","","","","has coordinates,has Fobs","153461","2020-10-21","18:00:00",""
"2241015","18.628","0.004","6.8742","0.0014","19.101","0.004","90","","118.77","0.03","90","","2144","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[hexaqua-1κ^4^<i>O</i>,2κ^2^<i>O</i>-bis(μ~3~-pyridine-2,4-dicarboxylato-1κ^4^<i>O</i>^2^:2κ^2^<i>N</i>,<i>O</i>^2'^;1'κ<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate]","","- C14 H22 Co N2 O16 Sr -","- C14 H22 Co N2 O16 Sr -","- C56 H88 Co4 N8 O64 Sr4 -","4","0.5","IM2469","Yu, Zhaojun; Jiang, Peng; Chen, Yanmei","Crystal structure of poly[[hexaqua-1κ^4^<i>O</i>,2κ^2^<i>O</i>-bis(μ~3~-pyridine-2,4-dicarboxylato-1κ<i>O</i>^2^:2κ^2^<i>N</i>,<i>O</i>^2'^;1'κ<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate]","Acta Crystallographica Section E","2015","71","9","m167","m168","10.1107/S2056989015014942","","","0.71073","MoKα","","0.0216","0.0197","","","0.0538","0.0551","","","","","","1.038","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241016","12.1786","0.0005","10.2422","0.0005","12.6306","0.0005","90","","113.082","0.002","90","","1449.36","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","2","BG2558","Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.","Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole, 4-phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one and 1-{2-[(<i>E</i>)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","9","1036","1041","10.1107/S2056989015014917","","","0.71073","MoKα","","0.032","0.0285","","","0.0767","0.08","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241017","9.8708","0.0006","12.3914","0.0007","13.1457","0.0012","102.706","0.003","96.552","0.003","111.989","0.002","1419.7","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C68 H52 N4 O12 S4 -","4","2","BG2558","Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.","Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole, 4-phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one and 1-{2-[(<i>E</i>)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","9","1036","1041","10.1107/S2056989015014917","","","0.71073","MoKα","","0.0451","0.0376","","","0.0989","0.1054","","","","","","1.035","","","","has coordinates,has Fobs","153463","2020-10-21","18:00:00",""
"2241018","9.5856","0.0003","11.2767","0.0004","13.1782","0.0004","104.907","0.0011","108.235","0.0009","91.581","0.001","1298.32","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-{2-[(<i>E</i>)-2-(5-Chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate","","- C25 H18 Cl4 N2 O5 S -","- C25 H18 Cl4 N2 O5 S -","- C50 H36 Cl8 N4 O10 S2 -","2","1","BG2558","Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.","Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole, 4-phenylsulfonyl-3<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-1(2<i>H</i>)-one and 1-{2-[(<i>E</i>)-2-(5-chloro-2-nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethan-1-one chloroform monosolvate","Acta Crystallographica Section E","2015","71","9","1036","1041","10.1107/S2056989015014917","","","0.71073","MoKα","","0.0552","0.0494","","","0.1299","0.1361","","","","","","1.054","","","","has coordinates,has Fobs","153463","2020-10-21","18:00:00",""
"2241019","11.3928","0.0008","6.6476","0.0004","21.4219","0.0013","90","","95.801","0.003","90","","1614.07","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>L</i>-Tryptophan‒fumaric acid‒water (1/1/1)","","- C15 H18 N2 O7 -","- C15 H18 N2 O7 -","- C60 H72 N8 O28 -","4","1","SU5176","Caroline, M. Lydia; Kumaresan, S.; Aravindan, P. G.; Mohamed, M. Peer; Mani, G.","Crystal structure of <small>L</small>-tryptophan‒fumaric acid‒water (1/1/1)","Acta Crystallographica Section E","2015","71","9","o661","o662","10.1107/S205698901501484X","","","0.71073","MoKα","","0.0438","0.0335","","","0.0788","0.0842","","","","","","1.042","","","","has coordinates,has Fobs","153464","2020-10-21","18:00:00",""
"2241020","9.7637","0.0007","12.6508","0.0009","11.6162","0.0008","90","","113.897","0.002","90","","1311.82","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Isopropyl-4,7-dimethyl-3-nitronaphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","IS5409","Benharref, Ahmed; Elkarroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of 1-isopropyl-4,7-dimethyl-3-nitronaphthalene","Acta Crystallographica Section E","2015","71","9","o659","o660","10.1107/S2056989015014395","","","0.71073","MoKα","","0.0572","0.047","","","0.1345","0.1465","","","","","","1.065","","","","has coordinates,has Fobs","153465","2020-10-21","18:00:00",""
"2241021","11.9903","0.0002","10.1377","0.0002","20.1115","0.0005","90","","90","","90","","2444.63","0.09","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[2-(1<i>H</i>-benzimidazol-2-yl)aniline]silver(I) nitrate","","- C26 H22 Ag N7 O3 -","- C26 H22 Ag N7 O3 -","- C104 H88 Ag4 N28 O12 -","4","0.5","IS5411","Kim, Youngtae; Kang, Sung Kwon","Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl)aniline]silver(I) nitrate","Acta Crystallographica Section E","2015","71","9","1058","1060","10.1107/S2056989015015315","","","0.71073","MoKα","","0.0419","0.0304","","","0.0736","0.0799","","","","","","1.064","","","","has coordinates,has Fobs","153583","2020-10-21","18:00:00",""
"2241022","12.4606","0.0003","6.7404","0.0002","20.5394","0.0005","90","","95.455","0.002","90","","1717.28","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fenbuconazole","(<i>RS</i>)-4-(4-Chlorophenyl)-2-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)butyronitrile","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C76 H68 Cl4 N16 -","4","1","HB7481","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of fenbuconazole","Acta Crystallographica Section E","2015","71","9","o680","o681","10.1107/S205698901501542X","","","0.71073","MoKα","","0.0599","0.0442","","","0.0996","0.1081","","","","","","1.041","","","","has coordinates,has Fobs","153584","2020-10-21","18:00:00",""
"2241023","15.4915","0.001","9.3953","0.0004","13.6501","0.0009","90","","101.251","0.005","90","","1948.6","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","12-Benzylsulfanyl-2,9-dibromo-6<i>H</i>-dibenzo[<i>b</i>,<i>g</i>]\ [1,8]naphthyridin-11-one","12-Benzylsulfanyl-2,9-dibromo-6,11-dihydro-5-azatetracen-11-one","","- C23 H14 Br2 N2 O S -","- C23 H14 Br2 N2 O S -","- C92 H56 Br8 N8 O4 S4 -","4","1","","Resch, Sebastian; Quell, Thomas; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Crystal structure of 12-benzylsulfanyl-2,9-dibromo-6<i>H</i>-dibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-11-one","Acta Crystallographica Section E","2015","71","9","o675","o676","10.1107/S2056989015014541","","","0.71073","MoKα","","0.1234","0.0675","","","0.1663","0.222","","","","","","1.053","","","","has coordinates,has Fobs","153585","2020-10-21","18:00:00",""
"2241024","12.63","0.0009","14.1462","0.0012","6.7797","0.0006","90","","105.475","0.007","90","","1167.39","0.17","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chloro-N-(2-nitrophenyl)benzamide","3-Chloro-<i>N</i>-(2-nitrophenyl)benzamide","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","HB7476","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","Crystal structure of 3-chloro-<i>N</i>-(2-nitrophenyl)benzamide","Acta Crystallographica Section E","2015","71","9","o674","","10.1107/S2056989015014620","","","0.71073","MoKα","","0.1075","0.068","","","0.1473","0.1794","","","","","","1","","","","has coordinates,has Fobs","153586","2020-10-21","18:00:00",""
"2241025","23.1735","0.0009","7.248","0.0002","20.332","0.0008","90","","90","","90","","3415","0.2","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","[1,1':3',1''-Terphenyl]-2',3,3''-tricarboxylic acid","","- C21 H14 O6 -","- C21 H14 O6 -","- C168 H112 O48 -","8","2","LD2133","Decato, Daniel A.; Berryman, Orion B.","Crystal structure of [1,1':3',1''-terphenyl]-2',3,3''-tricarboxylic acid","Acta Crystallographica Section E","2015","71","9","o667","o668","10.1107/S2056989015015029","","","0.71073","MoKα","","0.0427","0.0366","","","0.0869","0.0911","","","","","","1.049","","","","has coordinates,has Fobs","153587","2020-10-21","18:00:00",""
"2241026","13.1434","0.0012","8.9971","0.0003","12.6596","0.0009","90","","107.955","0.004","90","","1424.12","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)mercury(II)","","- C6 H16 Cl2 Hg N4 S2 -","- C6 H16 Cl2 Hg N4 S2 -","- C24 H64 Cl8 Hg4 N16 S8 -","4","0.5","WM5202","Shaheen, Muhammad Ashraf; Munawar, Aisha; Sadaf, Haseeba; Tahir, Muhammad Nawaz; Isab, Anvarhusein A.; Ahmad, Saeed","Crystal structure of dichloridobis(<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)mercury(II)","Acta Crystallographica Section E","2015","71","9","1061","1063","10.1107/S2056989015015406","","","0.71073","MoKα","","0.0219","0.0177","","","0.0363","0.0375","","","","","","1.06","","","","has coordinates,has Fobs","153588","2020-10-21","18:00:00",""
"2241027","7.8177","0.0017","21.195","0.005","12.495","0.003","90","","91.077","0.002","90","","2070","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2-(benzothiazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)","","- C26 H16 Cu N2 O2 S2 -","- C26 H16 Cu N2 O2 S2 -","- C104 H64 Cu4 N8 O8 S8 -","4","1","","Kim, Namhun; Kang, Sung Kwon","Crystal structure of bis[2-(benzothiazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2015","71","9","m173","m174","10.1107/S2056989015015303","","","0.71073","MoKα","","0.166","0.0857","","","0.1942","0.2243","","","","","","1.083","","","","has coordinates,has Fobs","153589","2020-10-21","18:00:00",""
"2241028","12.327","0.0007","13.3114","0.0007","7.9673","0.0004","90","","100.091","0.002","90","","1287.13","0.12","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis{4-bromo-<i>N</i>-[(pyridin-2-yl)methylidene]aniline-\ κ^2^<i>N</i>,<i>N</i>'}dichloridoruthenium(II)","","- C24 H18 Br2 Cl2 N4 Ru -","- C24 H18 Br2 Cl2 N4 Ru -","- C48 H36 Br4 Cl4 N8 Ru2 -","2","0.5","WM5204","Chainok, Kittipong; Kielar, Filip","Crystal structure of <i>trans</i>-bis{4-bromo-<i>N</i>-[(pyridin-2-yl)methylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}dichloridoruthenium(II)","Acta Crystallographica Section E","2015","71","9","1067","1069","10.1107/S205698901501556X","","","0.71073","MoKα","","0.0733","0.0544","","","0.1382","0.1524","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","153590","2020-10-21","18:00:00",""
"2241029","8.4716","0.0009","8.4722","0.0007","13.0971","0.0009","108.695","0.004","91.865","0.004","106.886","0.004","843.81","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-Ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate","","- C16 H18 N4 O5 -","- C16 H18 N4 O5 -","- C32 H36 N8 O10 -","2","1","TK5378","Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate","Acta Crystallographica Section E","2015","71","9","o684","o685","10.1107/S2056989015015054","","","0.71073","MoKα","","0.0514","0.043","","","0.1163","0.1235","","","","","","1.067","","","","has coordinates,has Fobs","153591","2020-10-21","18:00:00",""
"2241030","6.1825","0.0013","8.929","0.002","9.971","0.002","85.858","0.008","87.966","0.008","78.919","0.008","538.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,2,2-Tribromo-<i>N</i>-(2-fluorophenyl)acetamide","","- C8 H5 Br3 F N O -","- C8 H5 Br3 F N O -","- C16 H10 Br6 F2 N2 O2 -","2","1","HB7472","Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.","Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides","Acta Crystallographica Section E","2015","71","9","1048","1053","10.1107/S2056989015015248","","","1.54178","CuKα","","0.046","0.0449","","","0.1182","0.1198","","","","","","1.104","","","","has coordinates,has Fobs","153592","2020-10-21","18:00:00",""
"2241031","11.3441","0.0006","10.3047","0.0006","20.6397","0.0011","90","","90","","90","","2412.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-[3-(trifluoromethyl)phenyl]acetamide","","- C9 H5 Br3 F3 N O -","- C9 H5 Br3 F3 N O -","- C72 H40 Br24 F24 N8 O8 -","8","1","HB7472","Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.","Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides","Acta Crystallographica Section E","2015","71","9","1048","1053","10.1107/S2056989015015248","","","1.54178","CuKα","","0.0398","0.0395","","","0.1016","0.102","","","","","","1.219","","","","has coordinates,has Fobs","153592","2020-10-21","18:00:00",""
"2241032","16.983","0.0009","6.1095","0.0003","10.1508","0.0006","90","","100.485","0.001","90","","1035.64","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2,2-Tribromo-<i>N</i>-(4-fluorophenyl)acetamide","","- C8 H5 Br3 F N O -","- C8 H5 Br3 F N O -","- C32 H20 Br12 F4 N4 O4 -","4","1","HB7472","Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.","Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides","Acta Crystallographica Section E","2015","71","9","1048","1053","10.1107/S2056989015015248","","","1.54178","CuKα","","0.0474","0.0472","","","0.1278","0.1282","","","","","","1.187","","","","has coordinates,has Fobs","153592","2020-10-21","18:00:00",""
"2241033","15.0461","0.0015","6.1525","0.0006","10.4751","0.001","90","","107.581","0.006","90","","924.4","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-1-(thiomorpholin-4-yl)ethanone","","- C7 H13 N O S2 -","- C7 H13 N O S2 -","- C28 H52 N4 O4 S8 -","4","1","HB7480","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of 2-methylsulfanyl-1-(thiomorpholin-4-yl)ethanone","Acta Crystallographica Section E","2015","71","9","o679","","10.1107/S2056989015015418","","","0.71073","MoKα","","0.0349","0.0294","","","0.0749","0.0784","","","","","","1.047","","","","has coordinates,has Fobs","153593","2020-10-21","18:00:00",""
"2241034","5.2996","0.0005","9.0053","0.0007","23.211","0.002","90","","90","","90","","1107.73","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(β-Carboxyethyl)-α-isoleucine","(2<i>S</i>,3<i>S</i>)-2-[(2-Carbamoylethyl)azaniumyl]-3-methylpentanoate","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","1","","Chandrarekha, M.; Srinivasan, N.; Krishnakumar, R. V.","Redetermined crystal structure of <i>N</i>-(β-carboxyethyl)-α-isoleucine","Acta Crystallographica Section E","2015","71","9","o665","o666","10.1107/S2056989015014498","","","0.71073","MoKα","","0.0624","0.0423","","","0.0934","0.1015","","","","","","1.084","","","","has coordinates,has Fobs","153594","2020-10-21","18:00:00",""
"2241035","13.078","0.0012","7.2354","0.0007","22.262","0.002","90","","90","","90","","2106.5","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","","- C12 H10 O5 -","- C12 H10 O5 -","- C96 H80 O40 -","8","1","HB7469","Yousuf, Sammer; Hussain, Shafqat; Khan, Khalid Mohammed; Shabeer, Muhammad; Perveen, Shahnaz","Crystal structure of methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","Acta Crystallographica Section E","2015","71","9","o677","o678","10.1107/S2056989015014061","","","0.71073","MoKα","","0.0434","0.037","","","0.0972","0.104","","","","","","1.026","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241036","9.101","0.0018","9.583","0.0019","17.007","0.003","81.73","0.03","75.8","0.03","74.9","0.03","1383.2","0.5","260","2","260","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H44 Cl5 Cr N4 O4 Zn -","- C16 H44 Cl5 Cr N4 O4 Zn -","- C32 H88 Cl10 Cr2 N8 O8 Zn2 -","2","1","WM5196","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>cis</i>-aquachlorido(<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) tetrachloridozincate trihydrate from synchrotron data","Acta Crystallographica Section E","2015","71","9","1054","1057","10.1107/S2056989015015212","","","0.61","synchrotron","","0.029","0.0275","","","0.0787","0.0795","","","","","","1.032","","","","has coordinates,has Fobs","153596","2020-10-21","18:00:00",""
"2241037","9.0961","0.0002","9.2281","0.0002","24.4026","0.0007","90","","95.491","0.0006","90","","2038.95","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C28 H36 Br8 Cu2 N4 O10 -","- C28 H36 Br8 Cu2 N4 O10 -","- C56 H72 Br16 Cu4 N8 O20 -","2","0.5","","Tobón-Trujillo, Luis Manuel; Villanueva-Sánchez, Luis Felipe; Martínez-Otero, Diego; Dorazco-González, Alejandro","Crystal structure of bis(μ~2~-tetrabromophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2015","71","9","m171","m172","10.1107/S2056989015015194","","","0.71073","MoKα","","0.0177","0.0162","","","0.0382","0.0387","","","","","","1.067","","","","has coordinates,has Fobs","153597","2020-10-21","18:00:00",""
"2241038","26.847","0.003","7.9029","0.0008","15.0938","0.0014","90","","111.184","0.006","90","","2986","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetrachloridocobaltate(II)","","- C8 H14 Cl4 Co N4 -","- C8 H14 Cl4 Co N4 -","- C64 H112 Cl32 Co8 N32 -","8","1","WM5189","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structure of bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","9","1064","1066","10.1107/S2056989015014127","","","1.34139","GaKα","","0.051","0.0422","","","0.0954","0.1016","","","","","","1.098","","","","has coordinates,has Fobs","153598","2020-10-21","18:00:00",""
"2241039","4.136","0.005","13.916","0.005","17.194","0.005","90","","90","","90","","989.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dinitro-1,3,5-trimethylbenzene","1,3,5-Trimethyl-2,4-dinitrobenzene","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","","Brihi, Ouarda; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","Crystal structure of 1,3,5-trimethyl-2,4-dinitrobenzene","Acta Crystallographica Section E","2015","71","9","o670","o671","10.1107/S2056989015014243","","","0.71073","MoKα","","0.123","0.0534","","","0.0887","0.1131","","","","","","0.932","","","","has coordinates,has Fobs","153599","2020-10-21","18:00:00",""
"2241040","7.9958","0.0004","7.9991","0.0005","12.0238","0.0003","83.908","0.003","76.286","0.003","63.411","0.004","668.09","0.06","173","2","173","","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethylphenyl 2-nitrobenzenesulfonate","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C28 H26 N2 O10 S2 -","2","1","GK2639","Atanasova, Tsvetelina P.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N.","Crystal structure of 3,5-dimethylphenyl 2-nitrobenzenesulfonate","Acta Crystallographica Section E","2015","71","9","1045","1047","10.1107/S2056989015015078","","","1.54178","CuKα","","0.035","0.0345","","","0.0911","0.0916","","","","","","1.05","","","","has coordinates,has Fobs","153600","2020-10-21","18:00:00",""
"2241041","8.9049","0.0008","8.9275","0.001","12.3564","0.0011","88.434","0.008","83.536","0.007","66.201","0.01","892.89","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(2-chlorophenyl)-2-methyl-4<i>H</i>-pyrimido[2,1-<i>b</i>][1,3]benzothiazole- 3-carboxylate","","- C20 H17 Cl N2 O2 S -","- C20 H17 Cl N2 O2 S -","- C40 H34 Cl2 N4 O4 S2 -","2","1","","Kumar, Balbir; Kour, Manmeet; Paul, Satya; Kant, Rajni; Gupta, Vivek K.","Crystal structure of ethyl 4-(2-chlorophenyl)-2-methyl-4<i>H</i>-pyrimido[2,1-<i>b</i>][1,3]benzothiazole-3-carboxylate","Acta Crystallographica Section E","2015","71","9","o669","","10.1107/S2056989015014905","","","0.71073","MoKα","","0.0887","0.0525","","","0.119","0.1416","","","","","","1.029","","","","has coordinates,has Fobs","153601","2020-10-21","18:00:00",""
"2241042","9.083","0.007","11.201","0.006","11.846","0.006","117.75","0.04","90.49","0.05","104.08","0.06","1024.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate","","- C20 H27 Cl N2 O3 -","- C20 H27 Cl N2 O3 -","- C40 H54 Cl2 N4 O6 -","2","1","","Tabarki, Mohamed Ali; Ben Smida, Youssef; Guesmi, Abderrahmen; Besbes, Rafâa","Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate","Acta Crystallographica Section E","2015","71","9","o682","o683","10.1107/S2056989015015364","","","0.71073","MoKα","","0.11","0.0572","","","0.1497","0.1804","","","","","","0.987","","","","has coordinates,has Fobs","153602","2020-10-21","18:00:00",""
"2241043","10.57","0.003","14.543","0.004","13.94","0.003","90","","105.571","0.003","90","","2064.2","0.9","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II)","","- C12 H25 Cr Cu N4 O5 S2 -","- C12 H25 Cr Cu N4 O5 S2 -","- C48 H100 Cr4 Cu4 N16 O20 S8 -","4","1","LH5774","Rusanova, Julia A.; Semenaka, Valentina V.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.","Crystal structure of aqua-1κ<i>O</i>-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ^4^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:<i>O</i>^1^}[μ-2,2'-(methylimino)diethanolato-1:2κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>]dithiocyanato-1κ<i>N</i>,2κ<i>N</i>-chromium(III)copper(II)","Acta Crystallographica Section E","2015","71","9","1077","1080","10.1107/S2056989015015601","","","0.71073","MoKα","","0.0645","0.0566","","","0.1455","0.1501","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","153693","2020-10-21","18:00:00",""
"2241044","8.1632","0.0005","8.2829","0.0006","11.8492","0.0008","102.316","0.006","102.25","0.006","93.003","0.006","760.91","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","Hexaaquanickel(II) bis(5,6-dihydroxy-3-sulfoquinolin-7-yloxyacetic acid) dihydrate","","- C22 H32 N2 Ni O24 S2 -","- C22 H32 N2 Ni O24 S2 -","- C22 H32 N2 Ni O24 S2 -","1","0.5","VN2096","Le Thi Hong, Hai; Nguyen Thi Ngoc, Vinh; Tran Thi, Da; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structure of hexaaquanickel(II) bis{2-[(5,6-dihydroxy-3-sulfonatoquinolin-1-ium-7-yl)oxy]acetate} dihydrate","Acta Crystallographica Section E","2015","71","9","1105","1108","10.1107/S2056989015015662","","","0.71073","MoKα","","0.0618","0.0474","","","0.114","0.1254","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","153694","2020-10-21","18:00:00",""
"2241045","9.657","0.0012","9.7609","0.0007","18.79","0.002","90","","102.331","0.01","90","","1730.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-{[1<i>H</i>-Naphtho[1,2-<i>e</i>][1,3]oxazin-2(3<i>H</i>)-yl]methyl}\ naphthalen-2-ol","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","IS5412","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1-[(2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazin-2-yl)methyl]naphthalen-2-ol: a possible candidate for new polynaphthoxazine materials","Acta Crystallographica Section E","2015","71","9","1089","1092","10.1107/S2056989015015583","","","0.71073","MoKα","","0.0914","0.0526","","","0.1227","0.1351","","","","","","0.956","","","","has coordinates,has Fobs","153695","2020-10-21","18:00:00",""
"2241046","14.7716","0.0012","12.6403","0.0011","7.6734","0.0006","90","","90","","90","","1432.8","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-Dinitrophenyl 4-methylbenzenesulfonate","","- C13 H10 N2 O7 S -","- C13 H10 N2 O7 S -","- C52 H40 N8 O28 S4 -","4","1","PK2562","Cooley, Tyler A.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N.","Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph","Acta Crystallographica Section E","2015","71","9","1085","1088","10.1107/S2056989015015650","","","0.71073","MoKα","","0.0404","0.0342","","","0.0826","0.0876","","","","","","1.05","","","","has coordinates,has Fobs","153696","2020-10-21","18:00:00",""
"2241047","31.0939","0.0007","12.2704","0.0003","11.8851","0.0003","90","","110.174","0.001","90","","4256.38","0.18","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Chlorido(2-{[2-(phenylcarbamothioyl)hydrazin-1-ylidene](pyridin-2-yl)methyl}pyridin-1-ium)gold(I) chloride sesquihydrate","","- C18 H19 Au Cl2 N5 O1.5 S -","- C18 H19 Au Cl2 N5 O1.5 S -","- C144 H152 Au8 Cl16 N40 O12 S8 -","8","1","ZL2637","Gatto, Claudia C.; Lima, Iariane J.","Crystal structure of chlorido(2-{[2-(phenylcarbamothioyl)hydrazin-1-ylidene](pyridin-2-yl)methyl}pyridin-1-ium)gold(I) chloride sesquihydrate","Acta Crystallographica Section E","2015","71","9","1070","1072","10.1107/S2056989015015480","","","0.71073","MoKα","","0.0528","0.031","","","0.0649","0.0718","","","","","","0.974","","","","has coordinates,has Fobs","153697","2020-10-21","18:00:00",""
"2241048","10.7068","0.0003","17.875","0.0004","28.1694","0.0007","90","","90","","90","","5391.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C256 H296 N8 O32 -","8","1","SU5190","Sureshbabu, N.; Sughanya, V.","Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2015","71","9","o688","o689","10.1107/S2056989015014966","","","0.71073","MoKα","","0.0793","0.042","","","0.0986","0.1191","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241049","9.354","0.0008","10.028","0.0009","29.036","0.003","90","","91.559","0.001","90","","2722.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]iminio}methyl) naphthalen-2-olate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","2","","Guo, Ailing; Zhang, Shurong; Wang, Kun; Zhu, Ruitao","A new polymorph of 1-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminio}methyl)naphthalen-2-olate","Acta Crystallographica Section E","2015","71","9","o686","o687","10.1107/S205698901501539X","","","0.71073","MoKα","","0.1028","0.0518","","","0.1156","0.1367","","","","","","1.048","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241050","13.7569","0.0007","24.273","0.0011","17.8527","0.0008","90","","111.317","0.002","90","","5553.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ-<i>N</i>-Allylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[bromidocopper(I)] acetonitrile disolvate","","- C58 H58 Br2 Cu2 N4 P4 S -","- C58 H58 Br2 Cu2 N4 P4 S -","- C232 H232 Br8 Cu8 N16 P16 S4 -","4","1","HB7479","Hemman, Mareeya; Pakawatchai, Chaveng; Boonmak, Jaursup; Youngme, Sujittra; Saithong, Saowanit","Crystal structure of (μ-<i>N</i>-allylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[bromidocopper(I)] acetonitrile disolvate","Acta Crystallographica Section E","2015","71","9","1081","1084","10.1107/S2056989015015637","","","0.71073","MoKα","","0.0456","0.032","","","0.0635","0.0673","","","","","","1.039","","","","has coordinates,has Fobs","153700","2020-10-21","18:00:00",""
"2241051","26.002","0.004","8.5752","0.0015","9.3829","0.0016","90","","90","","90","","2092.1","0.6","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate","","- C14 H30 Cl2 F6 Fe N4 P -","- C14 H30 Cl2 F6 Fe N4 P -","- C56 H120 Cl8 F24 Fe4 N16 P4 -","4","1","ZL2640","Funwie, Neil L.; Cain, Amy N.; Fanning, Brian Z.; Hageman, Serena A.; Mullens, Malorie; Roberts, Travis K.; Turner, Daniel J.; Valdez, Cammi N.; Vaughan, Robert W.; Ermias, Henok G.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.; Prior, Timothy J.","Crystal structure of dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate","Acta Crystallographica Section E","2015","71","9","1073","1076","10.1107/S2056989015015340","","","0.71073","MoKα","","0.0934","0.05","","","0.1011","0.1091","","","","","","0.835","","","","has coordinates,has Fobs","153701","2020-10-21","18:00:00",""
"2241052","6.0154","0.0005","8.6358","0.0005","14.0548","0.0009","74.428","0.005","88.225","0.006","70.417","0.006","661.23","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(4-ethylphenyl)prop-2-en-1-one","","- C15 H13 Cl O S -","- C15 H13 Cl O S -","- C30 H26 Cl2 O2 S2 -","2","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0509","0.0416","","","0.1086","0.1186","","","","","","1.055","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241053","5.9745","0.0006","8.6636","0.0007","14.3039","0.0012","74.731","0.007","88.146","0.007","70.334","0.008","671.29","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(5-Bromothiophen-2-yl)-3-(4-ethylphenyl)prop-2-en-1-one","","- C15 H13 Br O S -","- C15 H13 Br O S -","- C30 H26 Br2 O2 S2 -","2","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0588","0.0411","","","0.0803","0.0902","","","","","","1.044","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241054","16.3577","0.0006","7.4518","0.0004","11.0892","0.0004","90","","92.26","0.003","90","","1350.66","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C15 H13 Cl O2 S -","- C15 H13 Cl O2 S -","- C60 H52 Cl4 O8 S4 -","4","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0572","0.0408","","","0.0997","0.1107","","","","","","1.063","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241055","16.5498","0.0007","7.5069","0.0004","11.1574","0.0005","90","","92.618","0.004","90","","1384.72","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C15 H13 Br O2 S -","- C15 H13 Br O2 S -","- C60 H52 Br4 O8 S4 -","4","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0569","0.0384","","","0.0715","0.0779","","","","","","1.028","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241056","6.0152","0.0008","8.5691","0.0012","13.1824","0.0009","75.25","0.01","81.446","0.008","70.281","0.012","617.08","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2<i>E</i>)-1-(5-Chlorothiophen-2-yl)-3-(4-bromophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C26 H16 Br2 Cl2 O2 S2 -","2","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0604","0.042","","","0.0913","0.0998","","","","","","1.028","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241057","9.2726","0.0006","11.3948","0.0008","12.1472","0.0007","90","","93.273","0.006","90","","1281.37","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3-methoxyphenyl)prop-2-en-1-one","","- C14 H11 Br O2 S -","- C14 H11 Br O2 S -","- C56 H44 Br4 O8 S4 -","4","1","SU5193","Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher","The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones","Acta Crystallographica Section E","2015","71","9","1093","1099","10.1107/S2056989015015534","","","0.71073","MoKα","","0.0516","0.0337","","","0.0684","0.0752","","","","","","1.022","","","","has coordinates,has Fobs","153702","2020-10-21","18:00:00",""
"2241058","10.684","0.002","11.989","0.003","13.858","0.003","80.22","0.005","85.234","0.005","80.047","0.005","1720.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II)","","- C32 H28 Co Fe N4 O3 -","- C32 H28 Co Fe N4 O3 -","- C64 H56 Co2 Fe2 N8 O6 -","2","1","ZL2632","Brautigam, Bryan; Herholdt, Chelsea; Farnsworth, William; Brudi, Ellen; McDonald, Eric; Wu, Guang; Contakes, Stephen","Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(<i>N</i>-ferrocenylisonicotinamide-κ<i>N</i>^1^)cobalt(II): a Co^II^‒salen complex that forms hydrogen-bonded dimers","Acta Crystallographica Section E","2015","71","9","1100","1104","10.1107/S2056989015014723","","","0.71069","MoKα","","0.1221","0.0563","","","0.1148","0.1355","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","153703","2020-10-21","18:00:00",""
"2241059","3.1466","0.0005","9.869","0.0016","7.3019","0.0005","90","","90","","90","","226.75","0.05","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium iridium(IV) trioxide","","- Ca Ir O3 -","- Ca Ir O3 -","- Ca4 Ir4 O12 -","4","0.25","","Nakatsuka, Akihiko; Sugiyama, Kazumasa; Yoneda, Akira; Fujiwara, Keiko; Yoshiasa, Akira","Crystal structure of post-perovskite-type CaIrO~3~ reinvestigated: new insights into atomic thermal vibration behaviors","Acta Crystallographica Section E","2015","71","9","1109","1113","10.1107/S2056989015015649","","","0.71069","MoKα","","","0.019","","","","0.021","","","","","","1.555","","","","has coordinates,has Fobs","153796","2020-10-21","18:00:00",""
"2241060","8.895","0.001","17.676","0.002","4.436","0.0005","90","","90","","90","","697.46","0.14","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride","","- C12 H18 Cl2 N4 -","- C12 H18 Cl2 N4 -","- C24 H36 Cl4 N8 -","2","0.5","LH5782","Trischler, Aaron; Oshin, Kayode; Pintauer, Tomislav","Crystal structure of ammonium bis[(pyridin-2-yl)methyl]ammonium dichloride","Acta Crystallographica Section E","2015","71","9","o692","o693","10.1107/S2056989015015753","","","0.71073","MoKα","","0.0251","0.0246","","","0.0659","0.0663","","","","","","1.06","","","","has coordinates,has Fobs","153797","2020-10-21","18:00:00",""
"2241061","9.2518","0.0002","10.0975","0.0002","12.5142","0.0003","79.364","0.006","89.613","0.006","83.367","0.006","1141.17","0.05","296","","296","","","","","","","","","6","P -1","-P 1","2","","(2-{[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl](5-methyl-2<i>H</i>-pyrrol-2-ylidene)methyl}-5-methyl-1<i>H</i>-pyrrolido-κ^2^<i>N</i>,<i>N</i>')difluoridoboron","","- C25 H31 B F2 N2 O -","- C25 H31 B F2 N2 O -","- C50 H62 B2 F4 N4 O2 -","2","1","HB7487","Morimoto, Yukio; Ogawa, Keizo; Uto, Yoshihiro; Nagasawa, Hideko; Hori, Hitoshi","Crystal structure of (2-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl](5-methyl-2<i>H</i>-pyrrol-2-ylidene)methyl}-5-methyl-1<i>H</i>-pyrrolido-κ^2^<i>N</i>,<i>N</i>')difluoridoboron","Acta Crystallographica Section E","2015","71","9","o694","o695","10.1107/S2056989015015789","","","1.54187","CuKα","","","0.0396","","","","0.1145","","","","","","1.085","","","","has coordinates,has Fobs","153798","2020-10-21","18:00:00",""
"2241062","11.7507","0.0014","8.9026","0.0011","17.05","0.002","90","","90.194","0.008","90","","1783.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II))","","- C36 H30 Cl4 Hg2 N6 -","- C36 H30 Cl4 Hg2 N6 -","- C72 H60 Cl8 Hg4 N12 -","2","0.5","SU5192","Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.","Crystal structure of di-μ-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II))","Acta Crystallographica Section E","2015","71","9","m175","m176","10.1107/S2056989015015790","","","0.71073","MoKα","","0.1084","0.0479","","","0.1003","0.1235","","","","","","0.957","","","","has coordinates,has Fobs","153799","2020-10-21","18:00:00",""
"2241063","25.3756","0.0009","25.3756","0.0009","9.6397","0.0006","90","","90","","90","","6207.2","0.5","173","2","173","2","","","","","","","","3","I -4","I -4","82","","<i>rac</i>-(3a<i>R</i>,4<i>S</i>,5a<i>R</i>,6<i>S</i>,9<i>R</i>,10a<i>S</i>,10b<i>R</i>)-3a,5a,9-Trimethyltetradecahydro-6,9-epoxycyclohepta[<i>e</i>]inden-4-ol monohydrate","","- C17 H30 O3 -","- C17 H30 O3 -","- C272 H480 O48 -","16","2","","Schäfer, Andreas; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of <i>rac</i>-(3a<i>R</i>,4<i>S</i>,5a<i>R</i>,6<i>S</i>,9<i>R</i>,10a<i>S</i>,10b<i>R</i>)-3a,5a,9-trimethyltetradecahydro-6,9-epoxycyclohepta[<i>e</i>]inden-4-ol monohydrate","Acta Crystallographica Section E","2015","71","9","o690","o691","10.1107/S2056989015015698","","","0.71073","MoKα","","0.0884","0.0514","","","0.0958","0.109","","","","","","1.028","","","","has coordinates,has Fobs","153800","2020-10-21","18:00:00",""
"2241064","8.8469","0.001","11.2365","0.0013","14.7528","0.0018","79.6","0.002","85.158","0.002","87.994","0.002","1437","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide","","- C27 H26.82 B Br5.18 N -","- C27 H26.825 B Br5.175 N -","- C54 H53.65 B2 Br10.35 N2 -","2","1","HB7403","Son, Jungho; Tamang, Sem Raj; Hoefelmeyer, James D.","Crystal structure of bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide","Acta Crystallographica Section E","2015","71","9","1114","1116","10.1107/S2056989015015467","","","0.71073","MoKα","","0.1194","0.0702","","","0.1406","0.1563","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","153801","2020-10-21","18:00:00",""
"2241065","27.075","0.004","3.9284","0.0006","26.359","0.004","90","","95.287","0.009","90","","2791.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}naphthalen-2-ol","","- C17 H11 Cl2 N O -","- C17 H11 Cl2 N O -","- C136 H88 Cl16 N8 O8 -","8","1","HB7492","Tahir, Muhammad Nawaz; Anwar-ul-Haq, Muhammad; Shad, Hazoor Ahmad","Crystal structure of 1-{(<i>E</i>)-[(3,4-dichlorophenyl)imino]methyl}naphthalen-2-ol","Acta Crystallographica Section E","2015","71","9","o696","","10.1107/S2056989015015959","","","0.71073","MoKα","","0.1137","0.0492","","","0.0926","0.1129","","","","","","1.015","","","","has coordinates,has Fobs","153802","2020-10-21","18:00:00",""
"2241066","6.7079","0.0004","12.9125","0.0009","15.4499","0.0011","90","","90","","90","","1338.2","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[μ~2~-diaqua-diaqua-μ~2~-<i>L</i>-proline-κ^2^<i>O</i>:<i>O</i>'-\ strontium] dibromide]","","- C5 H17 Br2 N O6 Sr -","- C5 H17 Br2 N O6 Sr -","- C20 H68 Br8 N4 O24 Sr4 -","4","1","ZS2346","Sathiskumar, Selladurai; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure of poly[[μ~2~-diaqua-diaqua-μ~2~-<small>L</small>-proline-κ^2^<i>O</i>:<i>O</i>'-strontium] dibromide]","Acta Crystallographica Section E","2015","71","10","1199","1202","10.1107/S2056989015017302","","","0.71073","MoKα","","0.0425","0.0315","","","0.0589","0.0627","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","158322","2020-10-21","18:00:00",""
"2241067","5.621","0.0006","17.0659","0.0018","10.2582","0.0012","90","","99.69","0.006","90","","970","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fenclorim","4,6-Dichloro-2-phenylpyrimidine","","- C10 H6 Cl2 N2 -","- C10 H6 Cl2 N2 -","- C40 H24 Cl8 N8 -","4","1","SJ5469","Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of fenclorim","Acta Crystallographica Section E","2015","71","10","o714","","10.1107/S2056989015016187","","","0.71073","MoKα","","0.0485","0.0339","","","0.0705","0.0765","","","","","","1.068","","","","has coordinates,has Fobs","158323","2020-10-21","18:00:00",""
"2241068","7.9254","0.0002","13.6161","0.0003","9.4632","0.0002","90","","103.32","0.001","90","","993.73","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(4,4-Diphenylbut-3-en-1-yl)-<i>N</i>-iodomethyl-<i>N</i>,<i>N</i>-dimethylammonium iodide","","- C19 H23 I2 N -","- C19 H23 I2 N -","- C38 H46 I4 N2 -","2","1","","Múnera-Orozco, Carolina; Ocampo-Cardona, Rogelio; Cedeño, David L.; Toscano, Rubén A.; Ríos-Vásquez, Luz Amalia","Crystal structures of three new <i>N</i>-halomethylated quaternary ammonium salts","Acta Crystallographica Section E","2015","71","10","1230","1235","10.1107/S2056989015017181","","","0.71073","MoKα","","0.0178","0.0172","","","0.038","0.0383","","","","","","1.078","","","","has coordinates,has Fobs","158324","2020-10-21","18:00:00",""
"2241069","37.778","0.007","6.6323","0.0012","17.021","0.003","90","","100.567","0.004","90","","4192.4","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(5,5-Diphenylpent-4-en-1-yl)-<i>N</i>-iodomethyl-<i>N</i>,<i>N</i>-dimethylammonium iodide","","- C20 H25 I2 N -","- C20 H25 I2 N -","- C160 H200 I16 N8 -","8","1","","Múnera-Orozco, Carolina; Ocampo-Cardona, Rogelio; Cedeño, David L.; Toscano, Rubén A.; Ríos-Vásquez, Luz Amalia","Crystal structures of three new <i>N</i>-halomethylated quaternary ammonium salts","Acta Crystallographica Section E","2015","71","10","1230","1235","10.1107/S2056989015017181","","","0.71073","MoKα","","0.0633","0.0522","","","0.1312","0.145","","","","","","1.048","","","","has coordinates,has Fobs","158324","2020-10-21","18:00:00",""
"2241070","8.9423","0.0012","24.058","0.003","10.3749","0.0013","90","","103.656","0.003","90","","2168.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(6,6-Diphenylhex-5-en-1-yl)-<i>N</i>-iodomethyl-<i>N</i>,<i>N</i>-dimethylammonium iodide","","- C21 H27 I2 N -","- C21 H27 I2 N -","- C84 H108 I8 N4 -","4","1","","Múnera-Orozco, Carolina; Ocampo-Cardona, Rogelio; Cedeño, David L.; Toscano, Rubén A.; Ríos-Vásquez, Luz Amalia","Crystal structures of three new <i>N</i>-halomethylated quaternary ammonium salts","Acta Crystallographica Section E","2015","71","10","1230","1235","10.1107/S2056989015017181","","","0.71073","MoKα","","0.0864","0.0595","","","0.1235","0.1383","","","","","","1.048","","","","has coordinates,has Fobs","158324","2020-10-21","18:00:00",""
"2241071","9.3235","0.0003","5.4118","0.0001","20.4381","0.0007","90","","96.748","0.001","90","","1024.1","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-<i>C</i>-(<i>N</i>-Benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-\ <i>O</i>-isopropylidene-α-<i>D</i>-allofuranose","","- C21 H29 N O7 -","- C21 H29 N O7 -","- C42 H58 N2 O14 -","2","1","SU5210","Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris","Crystal structure of 3-<i>C</i>-(<i>N</i>-benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2015","71","10","1212","1215","10.1107/S2056989015017582","","","0.71073","MoKα","","0.0641","0.0447","","","0.0927","0.1004","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241072","5.964","0.004","9.51","0.006","26.192","0.016","90","","90","","90","","1485.5","1.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-Dichloro-4-nitropyridine <i>N</i>-oxide","","- C5 H2 Cl2 N2 O3 -","- C5 H2 Cl2 N2 O3 -","- C40 H16 Cl16 N16 O24 -","8","1","TK5385","Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.","Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section E","2015","71","10","o775","","10.1107/S2056989015017387","","","0.71073","MoKα","","0.0374","0.0322","","","0.0752","0.0781","","","","","","1.092","","","","has coordinates,has Fobs","158326","2020-10-21","18:00:00",""
"2241073","8.1224","0.0005","8.7016","0.0005","11.3161","0.0006","98.239","0.003","100.318","0.003","117.635","0.003","673.18","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Methylpyridinium picrate","3-Methylpyridinium 2,4,6-trinitrophenolate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C24 H20 N8 O14 -","2","1","SU5205","Gomathi, Jeganathan; Kalaivani, Doraisamyraja","Crystal structure of 3-methylpyridinium picrate: a triclinic polymorph","Acta Crystallographica Section E","2015","71","10","1196","1198","10.1107/S2056989015017090","","","0.71073","MoKα","","0.0703","0.045","","","0.1063","0.1311","","","","","","1.066","","","","has coordinates,has Fobs","158327","2020-10-21","18:00:00",""
"2241074","7.6248","0.0005","8.6044","0.0006","13.1757","0.0009","92.832","0.004","90.777","0.003","99.099","0.003","852.3","0.1","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","3,5-Dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]phenol","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Koh, Dongsoo","Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]phenol","Acta Crystallographica Section E","2015","71","10","o708","o709","10.1107/S2056989015016369","","","1.54178","CuKα","","0.0375","0.0357","","","0.0942","0.0956","","","","","","1.036","","","","has coordinates,has Fobs","158328","2020-10-21","18:00:00",""
"2241075","10.034","0.002","10.07","0.002","12.124","0.002","112.75","0.03","95.58","0.03","98.51","0.03","1101.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]\ bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate","","- C38 H48 Cl8 O2 Ru2 S2 -","- C38 H48 Cl8 O2 Ru2 S2 -","- C38 H48 Cl8 O2 Ru2 S2 -","1","0.5","WM5217","Stíbal, David; Süss-Fink, Georg; Therrien, Bruno","Crystal structure of bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate","Acta Crystallographica Section E","2015","71","10","1216","1218","10.1107/S2056989015017399","","","0.71073","MoKα","","0.053","0.0386","","","0.0868","0.0917","","","","","","0.965","","","","has coordinates,has Fobs","158329","2020-10-21","18:00:00",""
"2241076","11.7943","0.0006","13.5934","0.0007","19.2988","0.0011","90","","90","","90","","3094.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>*,4<i>S</i>*,4a<i>S</i>*,5<i>R</i>*,6<i>R</i>*,6a<i>S</i>*,7<i>R</i>*,11a<i>S</i>*,11b<i>R</i>*)-5,6-Bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid methanol monosolvate","","- C35 H40 O10 -","- C35 H40 O10 -","- C140 H160 O40 -","4","1","IS5414","Siddiqui, Sadaf; Erharuyi, Osayemwenre; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure of (3<i>S</i>*,4<i>S</i>*,4a<i>S</i>*,5<i>R</i>*,6<i>R</i>*,6a<i>S</i>*,7<i>R</i>*,11a<i>S</i>*,11b<i>R</i>*)-5,6-bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid methanol monosolvate","Acta Crystallographica Section E","2015","71","10","o739","o740","10.1107/S2056989015016461","","","0.71073","MoKα","","0.0758","0.0518","","","0.1244","0.139","","","","","","1.03","","","","has coordinates,has Fobs","158330","2020-10-21","18:00:00",""
"2241077","7.5129","0.0006","17.4245","0.0014","16.0988","0.0014","90","","98.087","0.003","90","","2086.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","","- C21 H17 Br N2 O4 S2 -","- C21 H17 Br N2 O4 S2 -","- C84 H68 Br4 N8 O16 S8 -","4","1","HB7501","Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of <i>N</i>-{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","Acta Crystallographica Section E","2015","71","10","o756","o757","10.1107/S2056989015016874","","","0.71073","MoKα","","0.0533","0.0361","","","0.0904","0.1001","","","","","","1.015","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241078","13.7289","0.0013","7.4341","0.0007","11.5757","0.0011","90","","102.69","0.001","90","","1152.58","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylphenyl)-3-(propan-2-ylideneamino)thiourea","","- C11 H15 N3 S -","- C11 H15 N3 S -","- C44 H60 N12 S4 -","4","1","HB7507","Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T.","Crystal structure of 1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea","Acta Crystallographica Section E","2015","71","10","1236","1241","10.1107/S2056989015017624","","","0.71073","MoKα","","0.0573","0.0408","","","0.0884","0.0979","","","","","","1.024","","","","has coordinates,has Fobs","158332","2020-10-21","18:00:00",""
"2241079","14.053","0.008","13.438","0.006","9.733","0.004","90","","90","","90","","1838","1.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-Chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C68 H76 Cl4 N16 O20 -","4","1","XU5863","Bouayad, Kaoutar; Kandri Rodi, Youssef; Ouzidan, Youness; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 5-chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","10","o735","o736","10.1107/S2056989015016102","","","0.71073","MoKα","","0.154","0.0574","","","0.1121","0.1501","","","","","","1.013","","","","has coordinates,has Fobs","158333","2020-10-21","18:00:00",""
"2241080","13.7655","0.0008","7.8207","0.0004","20.95","0.0012","90","","94.054","0.002","90","","2249.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-phenyl-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carboxylate","","- C27 H21 N O4 S -","- C27 H21 N O4 S -","- C108 H84 N4 O16 S4 -","4","1","HB7499","Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of ethyl 2-phenyl-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2015","71","10","o725","o726","10.1107/S205698901501662X","","","0.71073","MoKα","","0.1076","0.0479","","","0.1128","0.1457","","","","","","1.038","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241081","7.9704","0.0016","7.5527","0.0015","14.57","0.003","90","","90.312","0.003","90","","877.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Cyano-1-methylpyridinium tetrafluoroborate","","- C7 H7 B F4 N2 -","- C7 H7 B F4 N2 -","- C28 H28 B4 F16 N8 -","4","2","TK5380","Vaccaro, Francesca A.; Koplitz, Lynn V.; Mague, Joel T.","Crystal structure of 2-cyano-1-methylpyridinium tetrafluoroborate","Acta Crystallographica Section E","2015","71","10","o697","o698","10.1107/S2056989015016011","","","0.71073","MoKα","","0.066","0.0504","","","0.1103","0.1221","","","","","","1.077","","","","has coordinates,has Fobs","158335","2020-10-21","18:00:00",""
"2241082","5.3161","0.0011","15.388","0.003","17.293","0.004","90","","97.44","0.03","90","","1402.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(3,4-Difluorobenzylidene)-4-methylbenzenesulfonohydrazide","","- C14 H12 F2 N2 O2 S -","- C14 H12 F2 N2 O2 S -","- C56 H48 F8 N8 O8 S4 -","4","1","","Wang, Yeming; Yan, Hong","Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-difluorobenzylidene)-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","10","o761","","10.1107/S2056989015016205","","","0.71073","MoKα","","0.0478","0.039","","","0.1086","0.1156","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241083","13.9311","0.0012","7.4605","0.0006","19.3515","0.0017","90","","100.926","0.002","90","","1974.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide","","- C20 H28 Br N Si -","- C20 H28 Br N Si -","- C80 H112 Br4 N4 Si4 -","4","1","SJ5471","Barth, Eva Rebecca; Golz, Christopher; Koller, Stephan G.; Strohmann, Carsten","Crystal structure of benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide","Acta Crystallographica Section E","2015","71","10","o759","","10.1107/S2056989015016965","","","0.71073","MoKα","","0.0416","0.0312","","","0.0758","0.0801","","","","","","1.023","","","","has coordinates,has Fobs","158337","2020-10-21","18:00:00",""
"2241084","7.186","0.008","25.77","0.03","5.774","0.006","90","","94.734","0.01","90","","1066","2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3-Chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C52 H36 Cl4 O8 -","4","1","","Zingales, Sarah K.; Wallace, Maya Z.; Padgett, Clifford W.","Crystal structure of (<i>E</i>)-1-(3-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","10","o707","","10.1107/S2056989015016266","","","0.71075","MoKα","","","0.0537","","","","0.1283","","","","","","1.069","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241085","30.008","0.002","7.4764","0.0005","11.6516","0.0008","90","","105.437","0.0012","90","","2519.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4,5,6,7,8,9,10,11,12,13-Undecahydrocyclododeca[<i>c</i>]pyrazol-3-ol","","- C13 H22 N2 O -","- C13 H22 N2 O -","- C104 H176 N16 O8 -","8","1","","Raymond, Casey C.; Knopp, Michael A.","Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[<i>c</i>]pyrazol-3-ol","Acta Crystallographica Section E","2015","71","10","o752","o753","10.1107/S2056989015016746","","","0.71073","MoKα","","0.0591","0.0509","","","0.1144","0.1193","","","","","","1.031","","","","has coordinates,has Fobs","158339","2020-10-21","18:00:00",""
"2241086","4.1782","0.0017","9.236","0.004","11.82","0.005","98.19","0.005","98.571","0.005","102.36","0.005","433.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>O</i>-Ethyl <i>N</i>-(ethoxycarbonyl)thiocarbamate","","- C6 H11 N O3 S -","- C6 H11 N O3 S -","- C12 H22 N2 O6 S2 -","2","1","","Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G.; Barany, George","Crystal structure of <i>O</i>-ethyl <i>N</i>-(ethoxycarbonyl)thiocarbamate","Acta Crystallographica Section E","2015","71","10","o782","o783","10.1107/S2056989015016989","","","0.71073","MoKα","","0.0604","0.0401","","","0.0801","0.0872","","","","","","1.072","","","","has coordinates,has Fobs","158340","2020-10-21","18:00:00",""
"2241087","7.3912","0.0014","9.7002","0.0017","19.727","0.004","90","","90","","90","","1414.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(2<i>S</i>,3<i>R</i>)-3-Hydroxy-3-phenylbutan-2-yl]pyrrolidinium chloride","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","HB7497","Kandhaswamy, Abirami; Meena, K.S.; Deepa, S.; Murugavel, S.","Crystal structure of [(2<i>S</i>,3<i>R</i>)-3-hydroxy-3-phenylbutan-2-yl]pyrrolidinium chloride","Acta Crystallographica Section E","2015","71","10","o758","","10.1107/S2056989015016916","","","0.71073","MoKα","","0.0514","0.0417","","","0.1007","0.1073","","","","","","1.023","","","","has coordinates,has Fobs","158341","2020-10-21","18:00:00",""
"2241088","9.7467","0.0005","14.1245","0.0007","10.9866","0.0005","90","","94.206","0.001","90","","1508.42","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[(Diethylamino)methyl]indol-1-yl-κ^2^<i>N</i>,<i>N</i>'}dimethylaluminium","","- C15 H23 Al N2 -","- C15 H23 Al N2 -","- C60 H92 Al4 N8 -","4","2","ZL2630","Shephard, Logan E.; Kingsley, Nicholas B.","Synthesis, characterization and crystal structure of a 2-(diethylaminomethyl)indole ligated dimethylaluminium complex","Acta Crystallographica Section E","2015","71","10","1222","1225","10.1107/S2056989015017053","","","0.71073","MoKα","","0.0248","0.0244","","","0.0678","0.0682","","","","","","1.052","","","","has coordinates,has Fobs","158342","2020-10-21","18:00:00",""
"2241089","4.7454","0.0005","8.5691","0.001","13.3886","0.0015","81.386","0.006","82.878","0.006","79.416","0.006","526.52","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(2-Carbamothioylhydrazinylidene)methyl]benzoic acid","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C18 H18 N6 O4 S2 -","2","1","HB7508","Tahir, Muhammad Nawaz; Anwar-ul-Haq, Muhammad; Choudhary, Muhammad Aziz","Crystal structure of 4-[(<i>E</i>)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid","Acta Crystallographica Section E","2015","71","10","o772","","10.1107/S2056989015017594","","","0.71073","MoKα","","0.078","0.0513","","","0.1305","0.1463","","","","","","1.055","","","","has coordinates,has Fobs","158343","2020-10-21","18:00:00",""
"2241090","5.43124","0.00019","7.2727","0.0003","10.1342","0.0004","69.12","0.002","83.907","0.002","78.381","0.002","366.09","0.03","296","","296","","","","","","","","","3","P -1","-P 1","2","β-<i>D,L</i>-fructose","1,3,4,5,6-Pentahydroxyhexan-2-one","","- C6 H12 O6 -","- C6 H12 O6 -","- C12 H24 O12 -","2","1","IS5416","Ishii, Tomohiko; Senoo, Tatsuya; Yoshihara, Akihide; Fukada, Kazuhiro; Sakane, Genta","Crystal structure of β-<small>D</small>,<small>L</small>-fructose","Acta Crystallographica Section E","2015","71","10","o719","o720","10.1107/S2056989015016503","","","1.54187","CuKα","","0.0404","0.0368","","","0.0926","0.095","","","","","","1.077","","","","has coordinates,has Fobs","158344","2020-10-21","18:00:00",""
"2241091","13.4555","0.0004","18.6185","0.0006","8.5258","0.0003","90","","104.603","0.001","90","","2066.9","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triethyl 2-(5-nitro-2<i>H</i>-indazol-2-yl)propane-1,2,3-tricarboxylate","","- C19 H23 N3 O8 -","- C19 H23 N3 O8 -","- C76 H92 N12 O32 -","4","1","IS5422","Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of triethyl 2-(5-nitro-2<i>H</i>-indazol-2-yl)propane-1,2,3-tricarboxylate","Acta Crystallographica Section E","2015","71","10","o780","o781","10.1107/S2056989015017235","","","0.71073","MoKα","","0.0549","0.0452","","","0.1199","0.1292","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","158345","2020-10-21","18:00:00",""
"2241092","10.5581","0.0004","14.7406","0.0005","15.6088","0.0006","90","","100.794","0.002","90","","2386.26","0.15","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-isobutyrato-κ^4^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-dichlorido(dimethyl sulfoxide-κ<i>S</i>)rhenium(III)]","","- C12 H26 Cl4 O6 Re2 S2 -","- C12 H26 Cl4 O6 Re2 S2 -","- C48 H104 Cl16 O24 Re8 S8 -","4","1","RZ5165","Golichenko, Alexander A.; Shtemenko, Alexander V.","Crystal structure of di-μ-isobutyrato-κ^4^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-dichlorido(dimethyl sulfoxide-κ<i>S</i>)rhenium(III)]","Acta Crystallographica Section E","2015","71","10","1219","1221","10.1107/S2056989015017429","","","0.71073","MoKα","","0.038","0.0254","","","0.0459","0.0489","","","","","","1.004","","","","has coordinates,has Fobs","158346","2020-10-21","18:00:00",""
"2241093","13.5726","0.0012","10.5634","0.0008","13.9825","0.0013","90","","90.386","0.001","90","","2004.7","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate","","- C11 H32 N10 O5 -","- C11 H32 N10 O5 -","- C44 H128 N40 O20 -","4","0.5","HB7495","Dong, Jinlong; Liu, Bin; Yang, Binsheng","Crystal structure of bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate","Acta Crystallographica Section E","2015","71","10","o747","o748","10.1107/S2056989015016771","","","0.71073","MoKα","","0.1394","0.0826","","","0.2119","0.2801","","","","","","1.02","","","","has coordinates,has Fobs","158347","2020-10-21","18:00:00",""
"2241094","8.8665","0.0003","13.3043","0.0006","13.9154","0.0005","90","","89.998","0.002","90","","1641.5","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloridotetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) chloride","","- C12 H16 Cl2 Co N8 -","- C12 H16 Cl2 Co N8 -","- C48 H64 Cl8 Co4 N32 -","4","1","SU5189","Derbel, Amira; Mhiri, Tahar; Graia, Mohsen","Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)~4~Cl]Cl","Acta Crystallographica Section E","2015","71","10","1185","1189","10.1107/S2056989015015807","","","0.71073","MoKα","","0.0305","0.0272","","","0.0705","0.0719","","","","","","1.09","","","","has coordinates,has Fobs","158348","2020-10-21","18:00:00",""
"2241095","21.987","0.0006","7.039","0.0003","15.784","0.0011","90","","99.031","0.0019","90","","2412.6","0.2","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis[3-(4-methylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C30 H36 N2 -","- C30 H36 N2 -","- C120 H144 N8 -","4","1","RZ5164","Wan, Anqi; Penthala, Narsimha Reddy; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Comparison of the crystal structures of 4,4'-bis[3-(4-methylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis[3-(2,2,6,6-tetramethylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","Acta Crystallographica Section E","2015","71","10","1132","1135","10.1107/S2056989015015352","","","0.71073","MoKα","","0.0974","0.0489","","","0.1174","0.1442","","","","","","1.017","","","","has coordinates,has Fobs","158349","2020-10-21","18:00:00",""
"2241096","16.0591","0.0003","6.2267","0.0001","15.5921","0.0003","90","","100.895","0.001","90","","1531.03","0.05","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis[3-(2,2,6,6-tetramethylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C36 H48 N2 -","- C36 H48 N2 -","- C72 H96 N4 -","2","0.5","RZ5164","Wan, Anqi; Penthala, Narsimha Reddy; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Comparison of the crystal structures of 4,4'-bis[3-(4-methylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis[3-(2,2,6,6-tetramethylpiperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","Acta Crystallographica Section E","2015","71","10","1132","1135","10.1107/S2056989015015352","","","1.54178","CuKα","","0.0575","0.0504","","","0.1314","0.137","","","","","","1.054","","","","has coordinates,has Fobs","158349","2020-10-21","18:00:00",""
"2241097","18.7108","0.0003","18.7108","0.0003","15.38","0.0003","90","","90","","90","","5384.45","0.16","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)tetrakis[aquacopper(II)]","","- C48 H68 Cu4 N4 O24 -","- C48 H68 Cu4 N4 O24 -","- C192 H272 Cu16 N16 O96 -","4","0.25","SJ5474","Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)tetrakis[aquacopper(II)]: a redetermination at 200K","Acta Crystallographica Section E","2015","71","10","1203","1206","10.1107/S2056989015017314","","","0.71073","MoKα","","0.0832","0.0763","","","0.1905","0.1951","","","","","","1.119","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241098","16.0535","0.0014","16.0535","0.0014","61.79","0.012","90","","90","","120","","13791","3","130","2","130","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate","","- C69 H87 Br5 Cl18 Co N6 -","- C69 H87 Br5 Cl18 Co N6 -","- C414 H522 Br30 Cl108 Co6 N36 -","6","0.333333","NR2061","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structure of tris(1,3-dimesityl-4,5-dihydro-1<i>H</i>-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate","Acta Crystallographica Section E","2015","71","10","m177","m178","10.1107/S2056989015016254","","","0.71073","MoKα","","0.0723","0.0399","","","0.0714","0.0775","","","","","","0.789","","","","has coordinates,has Fobs","158352","2020-10-21","18:00:00",""
"2241099","9.759","0.0011","6.8952","0.001","9.798","0.0014","90","","114.348","0.009","90","","600.67","0.15","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(1<i>R</i>)-2-Hydroxy-1-phenylethyl]piperidin-4-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C26 H34 N2 O4 -","2","1","XU5868","Romero, Nancy; Bernès, Sylvain; Roa, Luis F.; Terán, Joel L.; Gnecco, Dino","Crystal structures of two chiral piperidine derivatives: 1-[(1<i>R</i>)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1<i>S</i>)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","Acta Crystallographica Section E","2015","71","10","1207","1211","10.1107/S2056989015017119","","","0.71073","MoKα","","0.0534","0.0355","","","0.0756","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","158355","2020-10-21","18:00:00",""
"2241100","5.9731","0.0013","14.948","0.003","16.127","0.003","90","","90","","90","","1439.9","0.5","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8-[(1<i>S</i>)-1-Phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","XU5868","Romero, Nancy; Bernès, Sylvain; Roa, Luis F.; Terán, Joel L.; Gnecco, Dino","Crystal structures of two chiral piperidine derivatives: 1-[(1<i>R</i>)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1<i>S</i>)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","Acta Crystallographica Section E","2015","71","10","1207","1211","10.1107/S2056989015017119","","","0.71073","MoKα","","0.0624","0.0438","","","0.108","0.1203","","","","","","1.056","","","","has coordinates,has Fobs","158355","2020-10-21","18:00:00",""
"2241101","27.373","0.004","12.7232","0.0016","12.0881","0.0013","90","","102.827","0.006","90","","4104.9","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(4-Methoxystyryl)-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C192 H168 N8 O24 S8 -","8","1","HB7496","Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of (<i>E</i>)-2-(4-methoxystyryl)-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2015","71","10","o723","o724","10.1107/S2056989015016631","","","0.71073","MoKα","","0.1438","0.0643","","","0.1686","0.2306","","","","","","1.003","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241102","9.2194","0.0006","10.8908","0.0006","11.8698","0.0007","63.489","0.002","86.467","0.002","89.069","0.002","1064.38","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Phenyl (<i>S</i>)-2-[(<i>S</i>)-(1-{2-[(<i>S</i>)-(1-{[(<i>tert</i>-butoxy)carbonyl]amino}bicyclo[2.2.2]octan-2-yl)formamido]propanamido}bicyclo[2.2.2]octan-2-yl)formamido]-3-phenylpropanoate chloroform monosolvate","","- C43 H57 Cl3 N4 O7 -","- C43 H57 Cl3 N4 O7 -","- C43 H57 Cl3 N4 O7 -","1","1","IS5415","Wenger, Emmanuel; Moulat, Laure; Legrand, Baptiste; Amblard, Muriel; Calmès, Monique; Didierjean, Claude","Crystal structure of Boc-(<i>S</i>)-ABOC-(<i>S</i>)-Ala-(<i>S</i>)-ABOC-(<i>S</i>)-Phe-OBn chloroform monosolvate","Acta Crystallographica Section E","2015","71","10","1193","1195","10.1107/S2056989015016941","","","0.71073","MoKα","","0.0448","0.0383","","","","0.0869","","","","","","1.079","","","","has coordinates,has Fobs","158357","2020-10-21","18:00:00",""
"2241103","8.62046","0.00019","9.2129","0.0002","9.4257","0.0002","93.5208","0.0007","112.914","0.0007","115.976","0.0007","595.05","0.02","130","1","130","1","","","","","","","","5","P -1","-P 1","2","Morpholinium hydrogen bromanilate","Morpholin-4-ium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C20 H22 Br4 N2 O10 -","2","1","","Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki","Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K","Acta Crystallographica Section E","2015","71","10","1226","1229","10.1107/S2056989015017272","","","0.71075","MoKα","","0.0209","0.0172","","","0.0412","0.0456","","","","","","1.137","","","","has coordinates,has Fobs","158358","2020-10-21","18:00:00",""
"2241104","8.62293","0.00018","9.21849","0.00019","9.4354","0.0002","93.5239","0.0007","112.919","0.0007","115.978","0.0007","596.13","0.02","145","1","145","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C20 H22 Br4 N2 O10 -","2","1","","Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki","Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K","Acta Crystallographica Section E","2015","71","10","1226","1229","10.1107/S2056989015017272","","","0.71075","MoKα","","0.021","0.0175","","","0.0422","0.0457","","","","","","1.097","","","","has coordinates,has Fobs","158358","2020-10-21","18:00:00",""
"2241105","8.62824","0.00017","9.23087","0.00018","9.46007","0.00019","93.5321","0.0007","112.974","0.0007","115.951","0.0007","598.67","0.02","180","1","180","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C20 H22 Br4 N2 O10 -","2","1","","Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki","Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K","Acta Crystallographica Section E","2015","71","10","1226","1229","10.1107/S2056989015017272","","","0.71075","MoKα","","0.0221","0.0185","","","0.0444","0.0476","","","","","","1.088","","","","has coordinates,has Fobs","158358","2020-10-21","18:00:00",""
"2241106","8.896","0.001","7.1592","0.0008","25.708","0.003","90","","96.039","0.006","90","","1628.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Flumioxazin","2-[7-Fluoro-3,4-dihydro-3-oxo-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C76 H60 F4 N8 O16 -","4","1","HB7502","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of flumioxazin","Acta Crystallographica Section E","2015","71","10","o768","","10.1107/S2056989015017223","","","0.71073","MoKα","","0.0651","0.052","","","0.126","0.1366","","","","","","1.067","","","","has coordinates,has Fobs","158359","2020-10-21","18:00:00",""
"2241107","8.3398","0.0012","9.6725","0.001","8.0671","0.001","90","","95.175","0.005","90","","648.09","0.14","297","","297","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Methylaspardic acid","(<i>S</i>)-2-Amino-2-methylsuccinic acid","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C20 H36 N4 O16 -","4","1","SU5203","Fujii, Isao","Crystal structure of (<i>S</i>)-2-amino-2-methylsuccinic acid","Acta Crystallographica Section E","2015","71","10","o731","o732","10.1107/S2056989015016709","","","1.54178","CuKα","","0.034","0.034","","","0.0963","0.0964","","","","","","1.266","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241108","14.4474","0.0004","14.4474","0.0004","12.2965","0.0005","90","","90","","90","","2566.62","0.14","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","Tetrakis(pyridin-2-yl)methane tetra<i>N</i>-oxide methanol tetrasolvate","Tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate","","- C25 H32 N4 O8 -","- C25 H32 N4 O8 -","- C100 H128 N16 O32 -","4","","","Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji","Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate","Acta Crystallographica Section E","2015","71","10","o754","o755","10.1107/S2056989015016862","","","0.71075","MoKα","","0.053","0.049","","","0.134","0.138","","","","","","1.07","","","","has coordinates,has Fobs","158361","2020-10-21","18:00:00",""
"2241109","13.9652","0.0003","10.6898","0.0002","9.8459","0.0002","90","","109.844","0.002","90","","1382.57","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5-amine","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","HB7490","Jotani, Mukesh M.; Gajera, Nilesh N.; Patel, Mukesh C.; Sung, Herman H. Y.; Tiekink, Edward R. T.","A monoclinic polymorph of 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2015","71","10","1121","1124","10.1107/S2056989015016023","","","1.54184","CuKα","","0.0402","0.0355","","","0.0928","0.0957","","","","","","1.033","","","","has coordinates,has Fobs","158362","2020-10-21","18:00:00",""
"2241110","7.4131","0.0005","18.8596","0.0013","19.0166","0.0013","90","","90","","90","","2658.7","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","1","XU5867","Ahamed, P. Kaleel; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R. V.","Crystal structure of 2-hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","Acta Crystallographica Section E","2015","71","10","o715","o716","10.1107/S2056989015016126","","","0.71073","MoKα","","0.0491","0.0451","","","0.1156","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","158363","2020-10-21","18:00:00",""
"2241111","14.6418","0.0004","14.6418","0.0004","31.7767","0.0019","90","","90","","120","","5899.7","0.4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","Dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)","","- C36 H77 Ce2 N15 Ni6 O37 -","- C36 H76.9998 Ce2 N15 Ni6 O37 -","- C108 H230.999 Ce6 N45 Ni18 O111 -","3","0.333333","WM5213","Bezzubov, Stanislav I.; Doljenko, Vladimir D.; Churakov, Andrei V.; Zharinova, Irina S.; Kiselev, Yuri M.","Crystal structure of an unknown solvate of dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)","Acta Crystallographica Section E","2015","71","10","m183","m184","10.1107/S2056989015017132","","","0.71073","MoKα","","0.0259","0.0247","","","0.0646","0.0655","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241112","7.546","0.0008","9.6984","0.001","10.2894","0.001","103.857","0.002","94.745","0.002","106.62","0.002","691.24","0.12","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3<i>RS</i>,4<i>SR</i>,4a<i>RS</i>,11a<i>RS</i>,11b<i>SR</i>)-5-oxo-3,4,4a,5,7,8,9,10,11,11a-decahydro-3,11b-epoxyazepino[2,1-<i>a</i>]isoindole-4-carboxylate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","TK5384","Toze, Flavien A. A.; Poplevin, Dmitry S.; Zubkov, Fedor I.; Nikitina, Eugeniya V.; Porras, Ciara; Khrustalev, Victor N.","Crystal structure of methyl (3<i>RS</i>,4<i>SR</i>,4a<i>RS</i>,11a<i>RS</i>,11b<i>SR</i>)-5-oxo-3,4,4a,5,7,8,9,10,11,11a-decahydro-3,11b-epoxyazepino[2,1-<i>a</i>]isoindole-4-carboxylate","Acta Crystallographica Section E","2015","71","10","o729","o730","10.1107/S2056989015016679","","","0.71073","MoKα","","0.06","0.0483","","","0.1328","0.1405","","","","","","1.031","","","","has coordinates,has Fobs","158365","2020-10-21","18:00:00",""
"2241113","11.3632","0.0009","8.7159","0.0007","16.2382","0.0013","90","","101.927","0.002","90","","1573.5","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4,6-Dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ahn, Seunghyun; Lim, Yoongho; Koh, Dongsoo","Crystal structure of (<i>E</i>)-4,6-dimethoxy-2-(4-methoxystyryl)-3-methylbenzaldehyde","Acta Crystallographica Section E","2015","71","10","o771","","10.1107/S2056989015017363","","","0.71073","MoKα","","0.1163","0.0572","","","0.1462","0.2223","","","","","","0.987","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241114","6.0464","0.0008","7.6987","0.0009","9.5896","0.0011","69.602","0.01","76.519","0.011","74.912","0.01","398.94","0.09","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","{[(Dimethylamino)methyl]dimethylamine}trihydridoboron","","- C5 H17 B N2 -","- C5 H17 B N2 -","- C10 H34 B2 N4 -","2","1","ZQ2234","Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten","Crystal structure of borated <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiaminomethane","Acta Crystallographica Section E","2015","71","10","o743","o744","10.1107/S2056989015016813","","","0.71073","MoKα","","0.0769","0.0409","","","0.0936","0.0993","","","","","","0.874","","","","has coordinates,has Fobs","158367","2020-10-21","18:00:00",""
"2241115","6.653","0.0003","14.3098","0.0006","14.5822","0.0007","61.471","0.001","88.474","0.002","79.138","0.001","1194.61","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>-Tris[(1,3-benzothiazol-2-yl)methyl]amine","","- C26 H23 N4 O0.5 S3 -","- C24 H18 N4 S3 -","- C48 H36 N8 S6 -","2","1","","Mdluli, Velabo; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>-tris[(1,3-benzothiazol-2-yl)methyl]amine","Acta Crystallographica Section E","2015","71","10","o786","o787","10.1107/S2056989015017417","","","0.71073","MoKα","","0.0512","0.0381","","","0.1048","0.1102","","","","","","1.079","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241116","7.4776","0.0003","6.7002","0.0002","24.9017","0.0009","90","","94.445","0.002","90","","1243.86","0.08","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazolium salicylate","1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium 2-hydroxybenzoate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","SU5212","Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.","Crystal structure of benzimidazolium salicylate","Acta Crystallographica Section E","2015","71","10","o794","o795","10.1107/S2056989015017764","","","0.71073","MoKα","","0.0822","0.0481","","","0.1237","0.1422","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241117","5.4012","0.0001","8.2178","0.0002","10.2713","0.0002","90","","94.534","0.001","90","","454.475","0.016","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2<i>R</i>)-1-[(Methylsulfonyl)oxy]propan-2-aminium chloride","(2<i>R</i>)-2-Azaniumylpropyl methanesulfonate chloride","","- C4 H12 Cl N O3 S -","- C4 H12 Cl N O3 S -","- C8 H24 Cl2 N2 O6 S2 -","2","1","TK5365","Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P.","Crystal structure of (2<i>R</i>)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt","Acta Crystallographica Section E","2015","71","10","o733","o734","10.1107/S2056989015015972","","","1.54178","CuKα","","0.0312","0.0311","","","0.0778","0.0779","","","","","","1.11","","","","has coordinates,has Fobs","158370","2020-10-21","18:00:00",""
"2241118","15.4807","0.001","14.3435","0.0011","17.7605","0.001","90","","99.435","0.005","90","","3890.3","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(μ-4-Hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis(μ-phenylmethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] tetrafluoridoborate","","- C40 H47 B F4 O Ru2 S3 -","- C40 H47 B F4 O Ru2 S3 -","- C160 H188 B4 F16 O4 Ru8 S12 -","4","1","WM5210","Stíbal, David; Süss-Fink, Georg; Therrien, Bruno","Crystal structure of (μ-4-hydroxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis(μ-phenylmethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] tetrafluoridoborate","Acta Crystallographica Section E","2015","71","10","1174","1176","10.1107/S2056989015016953","","","0.71073","MoKα","","0.0385","0.0319","","","0.072","0.0744","","","","","","0.95","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241119","13.1141","0.0016","13.9234","0.0017","20.172","0.003","90","","98.969","0.002","90","","3638.2","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>N</i>-Methylcarbamoyl)(trichloromethyl)disulfane","","- C3 H4 Cl3 N O S2 -","- C3 H4 Cl3 N O S2 -","- C48 H64 Cl48 N16 O16 S32 -","16","2","BG2565","Goldenberg, Barbara L.; Young Jr, Victor G.; Barany, George","Crystal structures of three (trichloromethyl)(carbamoyl)disulfanes","Acta Crystallographica Section E","2015","71","10","1169","1173","10.1107/S2056989015015893","","","0.71073","MoKα","","0.0328","0.0246","","","0.0569","0.0612","","","","","","1.034","","","","has coordinates,has Fobs","158372","2020-10-21","18:00:00",""
"2241120","11.4247","0.0017","13.548","0.002","8.5675","0.0012","90","","103.176","0.002","90","","1291.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-Benzylcarbamoyl)(trichloromethyl)disulfane","","- C9 H8 Cl3 N O S2 -","- C9 H8 Cl3 N O S2 -","- C36 H32 Cl12 N4 O4 S8 -","4","1","","Goldenberg, Barbara L.; Young Jr, Victor G.; Barany, George","Crystal structures of three (trichloromethyl)(carbamoyl)disulfanes","Acta Crystallographica Section E","2015","71","10","1169","1173","10.1107/S2056989015015893","","","0.71073","MoKα","","0.0502","0.042","","","0.0771","0.08","","","","","","1","","","","has coordinates,has Fobs","158372","2020-10-21","18:00:00",""
"2241121","8.9231","0.0012","10.1724","0.0013","15.364","0.002","81.964","0.002","81.806","0.002","68.851","0.002","1281.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Methyl-<i>N</i>-phenylcarbamoyl)(trichloromethyl)disulfane","","- C9 H8 Cl3 N O S2 -","- C9 H8 Cl3 N O S2 -","- C36 H32 Cl12 N4 O4 S8 -","4","2","","Goldenberg, Barbara L.; Young Jr, Victor G.; Barany, George","Crystal structures of three (trichloromethyl)(carbamoyl)disulfanes","Acta Crystallographica Section E","2015","71","10","1169","1173","10.1107/S2056989015015893","","","0.71073","MoKα","","0.0469","0.0304","","","0.0661","0.0731","","","","","","0.974","","","","has coordinates,has Fobs","158372","2020-10-21","18:00:00",""
"2241122","12.7594","0.0013","13.3481","0.0014","16.4331","0.0017","90","","98.349","0.004","90","","2769.1","0.5","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[5-(Dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C120 H116 N12 O20 S8 -","4","0.5","GW2153","Chainok, Kittipong; Duangthongyou, Tanwawan; Tuntulani, Thawatchai; Chuenka, Apinya; Wannalerse, Boontana","The crystal structure of 2-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate","Acta Crystallographica Section E","2015","71","10","o721","o722","10.1107/S2056989015016199","","","0.71073","MoKα","","0.088","0.0474","","","0.0984","0.1131","","","","","","1.029","","","","has coordinates,has disorder","158373","2020-10-21","18:00:00",""
"2241123","3.863","0.0007","8.3","0.0009","11.749","0.0001","101.44","","93.8","","99.83","","361.84","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-Ethynylbenzoic acid","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","SU5200","Venturini, Chiara; Ratel-Ramond, Nicolas; Gourdon, Andre","Crystal structure of 3-ethynylbenzoic acid","Acta Crystallographica Section E","2015","71","10","o750","o751","10.1107/S2056989015016515","","","0.71073","MoKα","","0.0453","0.0367","","","","0.1165","","","","","","1.079","","","","has coordinates","158374","2020-10-21","18:00:00",""
"2241124","14.501","0.005","22.898","0.005","12.468","0.004","90","","90","","90","","4140","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,5-Diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","","- C22 H22 N6 S -","- C22 H22 N6 S -","- C176 H176 N48 S8 -","8","1","TK5387","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1,5-diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","Acta Crystallographica Section E","2015","71","10","o769","o770","10.1107/S2056989015017405","","","0.71073","MoKα","","0.0951","0.0478","","","0.1133","0.1377","","","","","","1.001","","","","has coordinates,has Fobs","158375","2020-10-21","18:00:00",""
"2241125","7.7403","0.0005","18.1498","0.0011","6.7335","0.0005","90","","103.281","0.002","90","","920.66","0.11","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(7<i>RS</i>,8<i>SR</i>)-7-Methyl-1,4-dioxaspiro[4.5]decane-7,8-diol","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","IS5419","Oishi, Takeshi; Yamamoto, Hiroaki; Sugai, Tomoya; Fukaya, Keisuke; Yamaguchi, Yu; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka","Crystal structure of (±)-(7<i>RS</i>,8<i>SR</i>)-7-methyl-1,4-dioxaspiro[4.5]decane-7,8-diol","Acta Crystallographica Section E","2015","71","10","1181","1184","10.1107/S2056989015016783","","","0.71073","MoKα","","0.0596","0.0363","","","0.0811","0.0916","","","","","","1.011","","","","has coordinates,has Fobs","158376","2020-10-21","18:00:00",""
"2241126","6.5702","0.0004","10.8637","0.0007","14.4964","0.001","90","","90","","90","","1034.7","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Amino-<i>N</i>-phenyl-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride","","- C8 H8 Cl N3 S2 -","- C8 H8 Cl N3 S2 -","- C32 H32 Cl4 N12 S8 -","4","1","HB7500","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structures of 5-amino-<i>N</i>-phenyl-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride and 5-amino-<i>N</i>-(4-chlorophenyl)-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride monohydrate","Acta Crystallographica Section E","2015","71","10","1159","1164","10.1107/S2056989015016655","","","0.71073","MoKα","","0.0317","0.0276","","","0.0564","0.0581","","","","","","1.066","","","","has coordinates,has Fobs","158377","2020-10-21","18:00:00",""
"2241127","17.0581","0.0007","14.166","0.0007","10.3215","0.0004","90","","101.084","0.004","90","","2447.61","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Amino-<i>N</i>-(4-chlorophenyl)-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride monohydrate","","- C8 H9 Cl2 N3 O S2 -","- C8 H9 Cl2 N3 O S2 -","- C64 H72 Cl16 N24 O8 S16 -","8","1","HB7500","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structures of 5-amino-<i>N</i>-phenyl-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride and 5-amino-<i>N</i>-(4-chlorophenyl)-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride monohydrate","Acta Crystallographica Section E","2015","71","10","1159","1164","10.1107/S2056989015016655","","","0.71073","MoKα","","0.0678","0.0456","","","0.0885","0.1021","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","158377","2020-10-21","18:00:00",""
"2241128","9.727","0.0019","10.122","0.002","13.441","0.003","68.15","0.03","73.69","0.03","89.73","0.03","1171.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3,3'-[(4-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C27 H21 F N2 O4 -","- C27 H21 F N2 O4 -","- C54 H42 F2 N4 O8 -","2","1","XU5870","Sun, Hong-Shun; Li, Yu-long; Jiang, Hong; Xu, Ning; Xu, Hong","Crystal structure of dimethyl 3,3'-[(4-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","Acta Crystallographica Section E","2015","71","10","1140","1142","10.1107/S205698901501628X","","","0.71073","MoKα","","0.0923","0.0542","","","0.1288","0.1473","","","","","","1.002","","","","has coordinates,has Fobs","158378","2020-10-21","18:00:00",""
"2241129","11.2449","0.0006","12.0672","0.0006","6.8598","0.0003","90","","105.121","0.001","90","","898.61","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Methoxycarbonyl)benzeneboronic acid","","- C8 H9 B O4 -","- C8 H9 B O4 -","- C32 H36 B4 O16 -","4","1","","Flanagan, Keith J.; Senge, Mathias O.","Crystal structure of 4-(methoxycarbonyl)phenylboronic acid","Acta Crystallographica Section E","2015","71","10","1151","1154","10.1107/S2056989015015923","","","0.71073","MoKα","","0.0356","0.0323","","","0.0906","0.0936","","","","","","1.095","","","","has coordinates,has Fobs","158379","2020-10-21","18:00:00",""
"2241130","8.1986","0.0004","9.7128","0.0004","24.4172","0.0012","90","","90","","90","","1944.37","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C21 H29 N3 O -","- C21 H29 N3 O -","- C84 H116 N12 O4 -","4","1","RK2432","Rani, C. Vidya; Chakkaravarthi, G.; Gandhi, N. Indra; Rajagopal, G.","Crystal structure of 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","10","o712","o713","10.1107/S205698901501645X","","","0.71073","MoKα","","0.1229","0.0638","","","0.163","0.2047","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","158380","2020-10-21","18:00:00",""
"2241131","6.3001","0.0005","13.2663","0.001","12.7082","0.001","90","","96.983","0.002","90","","1054.26","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1<i>R</i>,2<i>R</i>,4a<i>S</i>,8a<i>S</i>)-2-Hydroxy-2,5,5,8a-\ tetramethyldecahydronaphthalen-1-yl]-<i>N</i>-(<i>o</i>-tolyl)acetamide","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C46 H70 N2 O4 -","2","1","","Li, Dang-Dang; Shi, Xin-Wei; Lu, Qiang-Qiang; Li, Sheng-Kun","Crystal structure of 2-[(1<i>R</i>,2<i>R</i>,4a<i>S</i>,8a<i>S</i>)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-<i>N</i>-(<i>o</i>-tolyl)acetamide","Acta Crystallographica Section E","2015","71","10","o788","o789","10.1107/S2056989015017600","","","0.71073","MoKα","","0.0501","0.0397","","","0.0897","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241132","7.6195","0.0003","7.4517","0.0003","8.1457","0.0003","90","","122.244","0.001","90","","391.17","0.03","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cadmium sulfate monohydrate","Poly[(μ~2~-aqua)(μ~4~-sulfato)cadmium]","","- Cd H2 O5 S -","- Cd H2 O5 S -","- Cd4 H8 O20 S4 -","4","1","WM5211","Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure of CdSO~4~(H~2~O): a redetermination","Acta Crystallographica Section E","2015","71","10","i8","i9","10.1107/S2056989015016904","","","0.71073","MoKα","","0.0128","0.0115","","","0.026","0.0263","","","","","","1.178","","","","has coordinates,has Fobs","158382","2020-10-21","18:00:00",""
"2241133","9.0505","0.0015","10.1845","0.0017","14.571","0.002","99.541","0.003","90.315","0.003","92.191","0.003","1323.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dicyclohexyl-1-[3-(pyren-1-yl)propanoyl]urea","","- C33 H38 N2 O2 -","- C33 H38 N2 O2 -","- C66 H76 N4 O4 -","2","1","IS5410","González-Juárez, Edgar; Güizado-Rodríguez, Marisol; Barba, Victor; Tlahuext, Hugo","Crystal structure of 1,3-dicyclohexyl-1-[3-(pyren-1-yl)propanoyl]urea","Acta Crystallographica Section E","2015","71","10","o737","o738","10.1107/S2056989015015996","","","0.71073","MoKα","","0.0657","0.0515","","","0.1198","0.1281","","","","","","1.043","","","","has coordinates,has Fobs","158383","2020-10-21","18:00:00",""
"2241134","8.9642","0.0008","17.6283","0.0016","26.976","0.003","90","","90","","90","","4262.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>η^6^</i>-<i>p</i>-Cymene)(3-amino-2-phenylazopyridine)\ chloridoruthenium(II) chloride","","- C21 H24 Cl2 N4 Ru -","- C21 H24 Cl2 N4 Ru -","- C168 H192 Cl16 N32 Ru8 -","8","1","ZQ2235","Hansongnern, Kanidtha; Sansook, Supojjanee; Romin, Thassani; Nimthong Roldan, Arunpatcha; Pakawatchai, Chaveng","Crystal structure of (<i>{η</i>^6^}-<i>p</i>-cymene)(3-amino-2-phenylazopyridine)chloridoruthenium(II) chloride","Acta Crystallographica Section E","2015","71","10","m185","m186","10.1107/S2056989015017466","","","0.71073","MoKα","","0.0927","0.074","","","0.1283","0.1362","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","158384","2020-10-21","18:00:00",""
"2241135","16.6046","0.0008","15.5955","0.0007","23.2786","0.0012","90","","90","","90","","6028.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","","- C24 H26 F12 N4 Ru Sb2 -","- C24 H26 F12 N4 Ru Sb2 -","- C192 H208 F96 N32 Ru8 Sb16 -","8","1","IS5413","Sollert, Carina; Orthaber, Andreas; Pilarski, Lukasz T.","Crystal structure of acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","Acta Crystallographica Section E","2015","71","10","1190","1192","10.1107/S2056989015016710","","","0.71073","MoKα","","0.0575","0.0334","","","0.0653","0.074","","","","","","1.011","","","","has coordinates,has Fobs","158385","2020-10-21","18:00:00",""
"2241136","9.8539","0.0005","9.8671","0.0005","18.1633","0.0008","90","","100.578","0.005","90","","1736","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>Z</i>)-2-{(5<i>Z</i>)-5-[3-Fluoro-2-(4-phenylpiperidin-1-yl)benzylidene]-4-oxo-3-(<i>p</i>-tolyl)-1,3-thiazolidin-2-ylidene}-<i>N</i>-(<i>p</i>-tolyl)ethanethioamide dimethyl sulfoxide monosolvate","","- C39 H40 F N3 O2 S3 -","- C39 H40 F N3 O2 S3 -","- C78 H80 F2 N6 O4 S6 -","2","1","","Khamidullina, Liliya; Obydennov, Konstantin; Slepukhin, Pavel; Morzherin, Yury","Crystal structure of (2<i>Z</i>)-2-{(5<i>Z</i>)-5-[3-fluoro-2-(4-phenylpiperidin-1-yl)benzylidene]-4-oxo-3-(<i>p</i>-tolyl)-1,3-thiazolidin-2-ylidene}-<i>N</i>-(<i>p</i>-tolyl)ethanethioamide dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2015","71","10","o745","o746","10.1107/S2056989015016850","","","0.71073","MoKα","","0.0746","0.0462","","","0.0822","0.0892","","","","","","1","","","","has coordinates,has disorder,has Fobs","158386","2020-10-21","18:00:00",""
"2241137","39.818","0.003","4.344","0.0004","12.7211","0.0008","90","","98.098","0.005","90","","2178.4","0.3","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium (3,5-dichlorophenoxy)acetate hemihydrate","Ammonium (3,5-dichlorophenoxy)acetate hemihydrate","","- C8 H10 Cl2 N O3.5 -","- C8 H10 Cl2 N O3.5 -","- C64 H80 Cl16 N8 O28 -","8","1","NK2232","Smith, Graham","Crystal structure of ammonium (3,5-dichlorophenoxy)acetate hemihydrate","Acta Crystallographica Section E","2015","71","10","o717","o718","10.1107/S2056989015016345","","","0.71073","MoKα","","0.0418","0.0338","","","0.079","0.0839","","","","","","1.078","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241138","6.21","0.0001","10.3089","0.0002","16.3082","0.0003","86.317","0.001","81.202","0.001","76.671","0.001","1003.49","0.03","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","4,4'-Bis[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C26 H28 N2 -","- C26 H28 N2 -","- C52 H56 N4 -","2","1","HG5457","Wan, Anqi; Penthala, Narsimha Reddy; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Comparison crystal structure conformations of two structurally related biphenyl analogues: 4,4'-bis[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis{3-[(<i>S</i>)-2-methylpyrrolidin-1-yl]prop-1-yn-1-yl}-1,1'-biphenyl","Acta Crystallographica Section E","2015","71","10","1147","1150","10.1107/S2056989015016163","","","1.54178","CuKα","","0.0398","0.0387","","","0.1053","0.1066","","","","","","1.031","","","","has coordinates,has Fobs","158388","2020-10-21","18:00:00",""
"2241139","8.1411","0.0004","7.308","0.0004","18.984","0.0009","90","","98.177","0.003","90","","1117.97","0.1","90","0.2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-Bis{3-[(<i>S</i>)-2-methylpyrrolidin-1-yl]prop-1-yn-1-yl}-1,1'-biphenyl","","- C28 H32 N2 -","- C28 H32 N2 -","- C56 H64 N4 -","2","1","HG5457","Wan, Anqi; Penthala, Narsimha Reddy; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Comparison crystal structure conformations of two structurally related biphenyl analogues: 4,4'-bis[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl and 4,4'-bis{3-[(<i>S</i>)-2-methylpyrrolidin-1-yl]prop-1-yn-1-yl}-1,1'-biphenyl","Acta Crystallographica Section E","2015","71","10","1147","1150","10.1107/S2056989015016163","","","0.71073","MoKα","","0.0813","0.0543","","","0.1278","0.1442","","","","","","1.045","","","","has coordinates,has Fobs","158388","2020-10-21","18:00:00",""
"2241140","5.7772","0.0005","8.3886","0.0006","16.8717","0.0012","90","","99.742","0.006","90","","805.86","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Fluoro-1,3-dihydrobenzo[<i>c</i>]thiophene 2,2-dioxide","","- C8 H7 F O2 S -","- C8 H7 F O2 S -","- C32 H28 F4 O8 S4 -","4","1","WM5205","Zou, Ying; Qiu, Zibin; Tang, Renming; Yuan, Kaixu; Li, Ya","Crystal structure of 1-fluoro-1,3-dihydrobenzo[<i>c</i>]thiophene 2,2-dioxide","Acta Crystallographica Section E","2015","71","10","o749","","10.1107/S2056989015016357","","","1.54178","CuKα","","0.0843","0.0681","","","0.185","0.2051","","","","","","1.125","","","","has coordinates,has Fobs","158389","2020-10-21","18:00:00",""
"2241141","13.3791","0.0008","14.9352","0.001","6.7849","0.0003","90","","93.968","0.003","90","","1352.51","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorobenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C68 H52 Cl4 O4 -","4","1","SU5197","Haroon, Muhammad; Akhtar, Tashfeen; Tahir, Muhammad Nawaz","Crystal structure of (<i>E</i>)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one: a second monoclinic polymorph","Acta Crystallographica Section E","2015","71","10","o741","o742","10.1107/S2056989015016151","","","0.71073","MoKα","","0.0827","0.0505","","","0.1467","0.17","","","","","","1.045","","","","has coordinates,has Fobs","158390","2020-10-21","18:00:00",""
"2241142","7.1675","0.0008","11.2654","0.0013","18.144","0.002","90","","90","","90","","1465","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Shi, Xin-Wei; Li, Sheng-Kun; Li, Dang-Dang; Lu, Qiang-Qiang","Crystal structure of 3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol","Acta Crystallographica Section E","2015","71","10","o710","o711","10.1107/S2056989015016370","","","0.71073","MoKα","","0.0545","0.0462","","","0.1206","0.1272","","","","","","1.075","","","","has coordinates,has Fobs","158391","2020-10-21","18:00:00",""
"2241143","18.9","0.02","8.388","0.012","24.15","0.03","90","","100.75","0.03","90","","3761","8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichlorido[2-(diphenylphosphanyl)-3,4,5,6-tetrafluorobenzene-1-thiolato-κ^2^<i>P</i>,<i>S</i>]gold(III)","","- C18 H10 Au Cl2 F4 P S -","- C18 H10 Au Cl2 F4 P S -","- C144 H80 Au8 Cl16 F32 P8 S8 -","8","1","WM5209","Corfield, Peter W. R.; Bailey, Mary","Crystal structure of dichlorido[2-(diphenylphosphanyl)-3,4,5,6-tetrafluorobenzene-1-thiolato-κ^2^<i>P</i>,<i>S</i>]gold(III)","Acta Crystallographica Section E","2015","71","10","m181","m182","10.1107/S2056989015016758","","","0.7107","MoKα","","0.0547","0.0317","","","0.0742","0.086","","","","","","1.025","","","","has coordinates,has Fobs","158392","2020-10-21","18:00:00",""
"2241144","26.3733","0.0017","9.474","0.0006","8.4882","0.0005","90","","91.013","0.003","90","","2120.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","mandipropamid","(<i>RS</i>)-2-(4-Chlorophenyl)-<i>N</i>-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","TK5382","Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of mandipropamid","Acta Crystallographica Section E","2015","71","10","o727","o728","10.1107/S2056989015016643","","","0.71073","MoKα","","0.0721","0.0519","","","0.1214","0.1307","","","","","","1.041","","","","has coordinates,has Fobs","158393","2020-10-21","18:00:00",""
"2241145","16.1328","0.0014","6.8283","0.0006","23.017","0.002","90","","90","","90","","2535.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(4-Hydroxypiperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone","","- C13 H14 F3 N O2 -","- C13 H14 F3 N O2 -","- C104 H112 F24 N8 O16 -","8","2","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of (4-hydroxypiperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone","Acta Crystallographica Section E","2015","71","10","o790","o791","10.1107/S205698901501765X","","","0.71073","MoKα","","0.1137","0.0539","","","0.138","0.1902","","","","","","1.068","","","","has coordinates,has Fobs","158394","2020-10-21","18:00:00",""
"2241146","8.4131","0.0003","9.6211","0.0004","15.678","0.0006","80.917","0.003","89.24","0.002","88.395","0.002","1252.57","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[4-(Chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C52 H64 Cl4 N4 O8 -","4","2","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone","Acta Crystallographica Section E","2015","71","10","o703","o704","10.1107/S2056989015016096","","","0.71073","MoKα","","0.0638","0.045","","","0.107","0.1275","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","158395","2020-10-21","18:00:00",""
"2241147","10.0661","0.0001","16.296","0.0002","11.04","0.0001","90","","114.496","0.002","90","","1647.97","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Bromo-3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate","","- C16 H19.3 Br N2 O2.15 -","- C16 H19.3 Br N2 O2.15 -","- C64 H77.2 Br4 N8 O8.6 -","4","1","LH5783","Stein, Timo; Hoffmann, Frank; Fröba, Michael","Crystal structures of 1-bromo-3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodobenzene","Acta Crystallographica Section E","2015","71","10","1125","1131","10.1107/S2056989015016059","","","0.71073","MoKα","","0.0456","0.0351","","","0.0757","0.0803","","","","","","1.046","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241148","9.6195","0.0002","9.9759","0.0002","17.2951","0.0004","90","","94.648","0.001","90","","1654.23","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Bis(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodobenzene","","- C16 H19 I N2 O2 -","- C16 H19 I N2 O2 -","- C64 H76 I4 N8 O8 -","4","1","LH5783","Stein, Timo; Hoffmann, Frank; Fröba, Michael","Crystal structures of 1-bromo-3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodobenzene","Acta Crystallographica Section E","2015","71","10","1125","1131","10.1107/S2056989015016059","","","0.71073","MoKα","","0.0182","0.0166","","","0.0421","0.043","","","","","","1.069","","","","has coordinates,has Fobs","158396","2020-10-21","18:00:00",""
"2241149","15.0118","0.0008","8.4523","0.0004","15.9842","0.0009","90","","100.451","0.002","90","","1994.5","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(tetrahydrofuran-κ<i>O</i>)(trifluoromethanesulfonato-κ<i>O</i>)iron(III)","","- C15 H22 F3 Fe O8 S -","- C15 H22 F3 Fe O8 S -","- C60 H88 F12 Fe4 O32 S4 -","4","1","ZS2341","Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas B.","Crystal structure of bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(tetrahydrofuran-κ<i>O</i>)(trifluoromethanesulfonato-κ<i>O</i>)iron(III)","Acta Crystallographica Section E","2015","71","10","1165","1168","10.1107/S2056989015016849","","","0.71073","MoKα","","0.0327","0.0254","","","0.0636","0.0656","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","158397","2020-10-21","18:00:00",""
"2241150","29.684","0.002","5.8264","0.0004","15.421","0.0011","90","","96.252","0.003","90","","2651.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9<i>H</i>-Carbazole-2,7-dicarboxylic acid dimethyl ester","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Crystal structure of 9<i>H</i>-carbazole-2,7-dicarboxylic acid dimethyl ester","Acta Crystallographica Section E","2015","71","10","o784","o785","10.1107/S2056989015017557","","","0.71073","MoKα","","0.0547","0.0372","","","0.0902","0.0983","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241151","5.9548","0.0006","9.4897","0.001","17.2906","0.0019","90","","96.943","0.006","90","","969.91","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(5-Bromobenzofuran-2-yl) ethanone oxime","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","HB7505","Krishnaswamy, G.; Krishna Murthy, P.; Nivedita Desai, R.; Suchetan, P. A.; Aruna Kumar, D. B.","Crystal structure of 1-(5-bromobenzofuran-2-yl) ethanone oxime","Acta Crystallographica Section E","2015","71","10","o773","o774","10.1107/S205698901501751X","","","0.71073","MoKα","","0.057","0.0331","","","0.0897","0.0961","","","","","","1.012","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241152","36.997","0.003","7.118","0.002","11.788","0.003","90","","90","","90","","3104.3","1.2","301","","301","","","","","","","","","7","P m c n","-P 2n 2a","62","","<i>catena</i>-Poly[[[bis(ethylenediamine)platinum(II)]-μ-iodido-[bis(ethylenediamine)platinum(IV)]-μ-iodido] tetrakis(octane-1-sulfonate) dihydrate]","","- C40 H104 I2 N8 O14 Pt2 S4 -","- C40 H104 I2 N8 O14 Pt2 S4 -","- C80 H208 I4 N16 O28 Pt4 S8 -","2","0.25","WM5192","Matsushita, Nobuyuki","Redetermination of the crystal structure of <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodido-[bis(ethylenediamine)platinum(IV)]-μ-iodido] tetrakis(octane-1-sulfonate) dihydrate]","Acta Crystallographica Section E","2015","71","10","1155","1158","10.1107/S2056989015016801","","","0.71069","MoKα","","0.2273","0.0435","","","0.0788","0.1122","","","","","","0.923","","","","has coordinates,has Fobs","158400","2020-10-21","18:00:00",""
"2241153","39.274","0.002","4.3327","0.0003","12.4234","0.001","90","","99.363","0.006","90","","2085.8","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium (3,5-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-2-(3,5-dichlorophenoxy)acetato]dipotassium]","","- C8 H6 Cl2 K O3.5 -","- C8 H6 Cl2 K O3.5 -","- C64 H48 Cl16 K8 O28 -","8","1","WM5206","Smith, Graham","Crystal structures of the potassium and rubidium salts of (3,5-dichlorophenoxy)acetic acid: two isotypic coordination polymers","Acta Crystallographica Section E","2015","71","10","1177","1180","10.1107/S2056989015016722","","","0.71073","MoKα","","0.0367","0.0313","","","0.0727","0.076","","","","","","1.067","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2241154","39.641","0.003","4.3302","0.0003","12.8607","0.0008","90","","98.404","0.005","90","","2183.9","0.3","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","rubidium (3,5-dichlorophenoxy)acetate hemihydrate","Poly[μ-aqua-bis[μ~3~-(3,5-dichlorophenoxy)acetato]dirubidium]","","- C8 H6 Cl2 O3.5 Rb -","- C8 H6 Cl2 O3.5 Rb -","- C64 H48 Cl16 O28 Rb8 -","8","1","WM5206","Smith, Graham","Crystal structures of the potassium and rubidium salts of (3,5-dichlorophenoxy)acetic acid: two isotypic coordination polymers","Acta Crystallographica Section E","2015","71","10","1177","1180","10.1107/S2056989015016722","","","0.71073","MoKα","","0.0474","0.0401","","","0.0907","0.0949","","","","","","1.063","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2241155","3.8573","0.0008","20.334","0.004","13.629","0.003","90","","90.57","0.03","90","","1068.9","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Nitro-<i>N</i>-[(pyridin-2-yl)methylidene]aniline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","TK5383","Saphu, Watcharin; Chainok, Kittipong","Crystal structure of 4-nitro-<i>N</i>-[(pyridin-2-yl)methylidene]aniline","Acta Crystallographica Section E","2015","71","10","o760","","10.1107/S2056989015016928","","","0.71073","MoKα","","0.1347","0.0547","","","0.1168","0.1455","","","","","","0.963","","","","has coordinates,has Fobs","158402","2020-10-21","18:00:00",""
"2241156","7.5959","0.0004","7.0062","0.0004","24.4986","0.0014","90","","98.4543","0.0007","90","","1289.61","0.12","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-<i>N</i>-[(1<i>H</i>-pyrrol-2-yl)methylidene]aniline methanol monosolvate","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Richards, D. Douglas; Ang, M. Trisha C.; McDonald, Robert; Bierenstiel, Matthias","Structure and spectroscopic properties of <i>N</i>,<i>S</i>-coordinating 2-methylsulfanyl-<i>N</i>-[(1<i>H</i>-pyrrol-2-yl)methylidene]aniline methanol monosolvate","Acta Crystallographica Section E","2015","71","10","1136","1139","10.1107/S205698901501590X","","","0.71073","MoKα","","0.0395","0.0316","","","0.0838","0.0896","","","","","","1.044","","","","has coordinates,has Fobs","158403","2020-10-21","18:00:00",""
"2241157","7.9672","0.0005","8.3129","0.0005","13.6069","0.0008","89.607","0.004","81.886","0.004","84.469","0.004","888","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-{2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene}acetonitrile","","- C22 H22 N2 -","- C22 H22 N2 -","- C44 H44 N4 -","2","1","CV5495","Priya, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.","Crystal structure of 2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)acetonitrile","Acta Crystallographica Section E","2015","71","10","o792","o793","10.1107/S2056989015017740","","","0.71073","MoKα","","0.081","0.0471","","","0.1161","0.131","","","","","","1.053","","","","has coordinates,has Fobs","158404","2020-10-21","18:00:00",""
"2241158","9.1291","0.0004","10.2456","0.0004","10.5215","0.0004","86.39","0.002","82.964","0.002","85.801","0.002","972.63","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methoxy-1-nitronaphthalene","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","2","HB7477","Yassine, Hasna; Khouili, Mostafa; El Ammari, Lahcen; Saadi, Mohamed; Ketatni, El Mostafa","Crystal structure of 2-methoxy-1-nitronaphthalene","Acta Crystallographica Section E","2015","71","10","o701","o702","10.1107/S2056989015016114","","","0.71073","MoKα","","0.0816","0.0484","","","0.1225","0.1411","","","","","","1.038","","","","has coordinates,has Fobs","158405","2020-10-21","18:00:00",""
"2241159","10.3881","0.0011","13.1593","0.0013","6.5117","0.0007","90","","90","","90","","890.15","0.16","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Strontium dinickel iron orthophosphate","","- Fe Ni2 O12 P3 Sr -","- Fe Ni2 O12 P3 Sr -","- Fe4 Ni8 O48 P12 Sr4 -","4","0.25","PJ2022","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of strontium dinickel iron orthophosphate","Acta Crystallographica Section E","2015","71","10","1255","1258","10.1107/S205698901501779X","","","0.71073","MoKα","","0.0155","0.0152","","","0.0409","0.0411","","","","","","1.204","","","","has coordinates,has Fobs","158427","2020-10-21","18:00:00",""
"2241160","4.5577","0.0005","6.9806","0.0008","13.7995","0.0015","99.508","0.006","94.297","0.006","97.643","0.007","427.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒1,4-phenylenediacetic acid (1:1)","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","1","0.5","","Paul, Rima; Bora, Sanchay Jyoti","Redetermined structure of 4,4'-bipyridine‒1,4-phenylenediacetic acid (1:1) co-crystal","Acta Crystallographica Section E","2015","71","10","o799","o800","10.1107/S2056989015017569","","","0.71073","MoKα","","0.0535","0.0408","","","0.1126","0.1228","","","","","","1.049","","","","has coordinates,has Fobs","158428","2020-10-21","18:00:00",""
"2241161","7.8662","0.0002","11.4601","0.0003","18.1517","0.0006","90","","96.858","0.001","90","","1624.62","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[4-(Diethylamino)phenylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","XU5872","Stepina, Egija; Stepanovs, Dmitrijs; Mierina, Inese; Jure, Mara","Crystal structure of 5-[4-(diethylamino)phenylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2015","71","10","1242","1244","10.1107/S2056989015017673","","","0.71073","MoKα","","0.112","0.0552","","","0.1074","0.1269","","","","","","1.002","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241162","5.4955","0.0006","27.973","0.002","10.4175","0.0009","90","","92.444","0.009","90","","1600","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(2-(Hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C64 H64 N16 O4 S4 -","4","1","SJ5476","Anderson, Brian J.; Freedman, Michael B.; Millikan, Sean P.; Smolenski, Victoria A.; Jasinski, Jerry P.","Crystal structure of 2-[(2-(hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide","Acta Crystallographica Section E","2015","71","10","o796","o797","10.1107/S2056989015017739","","","0.71073","MoKα","","0.0884","0.0652","","","0.1644","0.1817","","","","","","1.039","","","","has coordinates,has Fobs","158430","2020-10-21","18:00:00",""
"2241163","14.0384","0.0006","15.7969","0.0006","16.7235","0.0006","72.825","0.002","75.522","0.002","89.168","0.002","3423.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H34 Mo6 Na3 O38.5 Pt -","- H34 Mo6 Na3 O38.5 Pt -","- H136 Mo24 Na12 O154 Pt4 -","4","2","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Double salt crystal structure of hexasodium hemiundecahydrogen <i>{α</i>}-hexamolybdoplatinate(IV) heminonahydrogen <i>{α</i>}-hexamolybdoplatinate(IV) nonacosahydrate: dihydrogen disordered-mixture double salt","Acta Crystallographica Section E","2015","71","10","1250","1254","10.1107/S2056989015017703","","","0.71073","MoKα","","0.043","0.0357","","","0.0851","0.0908","","","","","","1.064","","","","has coordinates,has Fobs","283803","2023-05-16","08:05:53",""
"2241164","26.223","0.005","5.923","0.0012","14.493","0.003","90","","90","","90","","2251","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10<i>a</i>-dodecahydro\ phenanthrene-1-carboxylic acid phenylamide","","- C26 H37 N O -","- C26 H37 N O -","- C104 H148 N4 O4 -","4","1","TK5389","Liu, Li; Yan, Xin-Yan; Rao, Xiao-Ping","Crystal structure of 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10<i>a</i>-dodecahydrophenanthrene-1-carboxylic acid phenylamide","Acta Crystallographica Section E","2015","71","10","o801","o802","10.1107/S2056989015017648","","","0.71073","MoKα","","0.1702","0.0785","","","0.1473","0.1929","","","","","","1.006","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2241165","11.4637","0.0008","6.4345","0.0013","15.822","0.003","90","","100.367","0.012","90","","1148","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-5-methyl-<i>N</i>-phenyl-triazole-4-carboxamide","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Khazhieva, Inna S.; Glukhareva, Tatiana V.; Slepukhin, Pavel A.; Morzherin, Yury Yu.","Crystal structure of 1-methoxy-5-methyl-<i>N</i>-phenyl-1.2.3-triazole-4-carboxamide","Acta Crystallographica Section E","2015","71","10","o798","","10.1107/S2056989015017776","","","0.71073","MoKα","","0.1296","0.0547","","","0.1319","0.1474","","","","","","1","","","","has coordinates,has Fobs","158433","2020-10-21","18:00:00",""
"2241166","5.7578","0.0001","18.0559","0.0004","23.3716","0.0006","105.587","0.0013","93.7408","0.0013","92.6002","0.0014","2330.41","0.09","123","2","123.15","","","","","","","","","4","P -1","-P 1","2","","4'-{[4-(2,2':6',2''-Terpyridyl)phenyl]ethinyl}biphen-4-yl-(2,2,5,5-tetramethyl-<i>N</i>-oxylpyrroline-3-yl)formate","","- C59 H50 N4 O3 -","- C59 H50 N4 O3 -","- C118 H100 N8 O6 -","2","1","SU5206","Meyer, Andreas; Schnakenburg, Gregor; Schiemann, Olav","Crystal structure of 4'-{[4-(2,2':6',2''-terpyridyl)phenyl]ethynyl}biphen-4-yl-(2,2,5,5-tetramethyl-<i>N</i>-oxylpyrroline)-3-formate benzene 2.5 solvate","Acta Crystallographica Section E","2015","71","10","1245","1249","10.1107/S2056989015017697","","","0.71073","MoKα","","0.1277","0.0707","","","0.1999","0.2168","","","","","","1.068","","","","has coordinates,has Fobs","158434","2020-10-21","18:00:00",""
"2241167","12.295","0.003","9.587","0.002","14.977","0.004","90","","101.548","0.001","90","","1729.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-[<i>N</i>-(7-Methyl-2-phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)carboximidoyl]phenol","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","RZ5169","Elaatiaoui, Abdelmalik; Saddik, Rafik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>E</i>)-4-[<i>N</i>-(7-methyl-2-phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)carboximidoyl]phenol","Acta Crystallographica Section E","2015","71","10","o803","o804","10.1107/S2056989015017843","","","0.71073","MoKα","","0.0663","0.0449","","","0.1219","0.1395","","","","","","1.023","","","","has coordinates,has Fobs","159068","2020-10-21","18:00:00",""
"2241168","17.557","0.002","17.876","0.002","19.832","0.002","90","","91.397","0.001","90","","6222.4","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[5-Bromo-2-(pyridin-2-yl-<i>κN</i>)phenyl-κ<i>C</i>^1^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II)","","- C16 H14 Br N O2 Pt -","- C16 H14 Br N O2 Pt -","- C256 H224 Br16 N16 O32 Pt16 -","16","2","WM5214","Fukuda, Keito; Sugaya, Tomoaki; Ishihara, Koji","Crystal structure of [5-bromo-2-(pyridin-2-yl-<i>{κ</i>N})phenyl-<i>{κ</i>C}^1^](pentane-2,4-dionato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')platinum(II)","Acta Crystallographica Section E","2015","71","10","1259","1261","10.1107/S2056989015017478","","","0.71073","MoKα","","0.036","0.0273","","","0.0658","0.0697","","","","","","1.009","","","","has coordinates,has Fobs","159069","2020-10-21","18:00:00",""
"2241169","19.8321","0.0019","7.8574","0.0005","16.3416","0.0016","90","","106.815","0.01","90","","2437.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(2,4-Dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1<i>H</i>-2,3-dihydro-pyrazol-3-one","","- C27 H22 Cl2 N4 O2 -","- C27 H22 Cl2 N4 O2 -","- C108 H88 Cl8 N16 O8 -","4","1","","Kumar, Balbir; Mahajan, Hitesh; Paul, Satya; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2015","71","10","o805","o806","10.1107/S2056989015017880","","","0.71073","MoKα","","0.1142","0.0596","","","0.1398","0.174","","","","","","1","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241170","24.0846","0.0003","24.0846","0.0003","15.2037","0.0003","90","","90","","90","","8819.2","0.2","110","","110","","","","","","","","","6","P -4","P -4","81","","Tetrakis(μ~3~-cyanato-κ^3^<i>N</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C76 H60 Ag4 N4 O4 P4 -","- C76 H60 Ag4 N4 O4 P4 -","- C304 H240 Ag16 N16 O16 P16 -","4","1","","Frenzel, Peter; Schaarschmidt, Dieter; Jakob, Alexander; Lang, Heinrich","Crystal structure of an unknown tetrahydrofuran solvate of tetrakis(<i>{μ</i>}~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>N</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2015","71","10","1262","1265","10.1107/S2056989015017636","","","0.71073","MoKα","","0.0833","0.0454","","","0.1109","0.1312","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","159071","2020-10-21","18:00:00",""
"2241171","7.908","0.002","10.224","0.003","19.631","0.004","85.46","0.02","81.8","0.02","74.96","0.02","1515.7","0.7","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]","","- C19 H32 Cl2 N2 Na2 O16 S -","- C19 H32 Cl2 N2 Na2 O16 S -","- C38 H64 Cl4 N4 Na4 O32 S2 -","2","1","","London, Bianca King; Claville, Michelle O. Fletcher; Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.","A co-crystal of nonahydrated disodium(II) with mixed anions from <i>m</i>-chlorobenzoic acid and furosemide","Acta Crystallographica Section E","2015","71","10","1266","1269","10.1107/S2056989015017430","","","0.71073","MoKα","","0.0659","0.0432","","","0.0976","0.1066","","","","","","1.048","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241172","12.0881","0.0008","13.4178","0.001","9.0985","0.0006","90","","111.63","0.002","90","","1371.82","0.17","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tris(3-methylpyrazol-1-yl)methane","1,1',1''-Methanetriyltris(3-methyl-1<i>H</i>-pyrazole)","","- C13 H16 N6 -","- C13 H16 N6 -","- C52 H64 N24 -","4","1","ZL2643","Goodman, Margaret A.; Goodman, M. Scott; Nazarenko, Alexander Y.; Patel, Ealin N.","Crystal structure of tris(3-methyl-1<i>H</i>-pyrazol-1-yl)methane","Acta Crystallographica Section E","2015","71","11","o816","","10.1107/S2056989015017247","","","0.71073","MoKα","","0.0488","0.037","","","0.0917","0.0986","","","","","","1.049","","","","has coordinates,has Fobs","159554","2020-10-21","18:00:00",""
"2241173","6.6955","0.0002","7.772","0.0002","16.0608","0.0004","90","","95.4182","0.0014","90","","832.03","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-4,6-dinitroaniline","","- C6 H4 Br N3 O4 -","- C6 H4 Br N3 O4 -","- C24 H16 Br4 N12 O16 -","4","1","SJ5477","Kang, Gihaeng; Kim, Tae Ho; Lee, Eui-Jae; Kang, Chang Ho","Crystal structure of 2-bromo-4,6-dinitroaniline","Acta Crystallographica Section E","2015","71","11","o813","","10.1107/S2056989015017946","","","0.71073","MoKα","","0.0402","0.0332","","","0.08","0.0827","","","","","","1.06","","","","has coordinates,has Fobs","159555","2020-10-21","18:00:00",""
"2241174","7.669","0.003","14.367","0.005","7.944","0.003","90","","116.957","0.005","90","","780.2","0.5","173","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-iodido-bis[bis(acetonitrile-κ<i>N</i>)copper(I)]","","- C8 H12 Cu2 I2 N4 -","- C8 H12 Cu2 I2 N4 -","- C16 H24 Cu4 I4 N8 -","2","0.5","WM5208","Barth, Eva Rebecca; Golz, Christopher; Knorr, Michael; Strohmann, Carsten","Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κ<i>N</i>)copper(I)]","Acta Crystallographica Section E","2015","71","11","m189","m190","10.1107/S2056989015018149","","","0.71073","MoKα","","0.0223","0.0213","","","0.0554","0.0558","","","","","","1.158","","","","has coordinates,has Fobs","159556","2020-10-21","18:00:00",""
"2241175","15.7097","0.0012","7.83","0.0005","21.2351","0.0019","90","","92.635","0.008","90","","2609.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-Hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C96 H136 N24 O16 S8 -","8","2","CV5496","Anderson, Brian J.; Freedman, Michael B.; Smolenski, Victoria A.; Jasinski, Jerry P.","The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","Acta Crystallographica Section E","2015","71","11","o811","o812","10.1107/S2056989015018228","","","0.71073","MoKα","","0.1127","0.0782","","","0.1956","0.2237","","","","","","1.063","","","","has coordinates,has Fobs","159557","2020-10-21","18:00:00",""
"2241176","8.9791","0.0004","10.308","0.0005","15.7653","0.0006","88.679","0.002","83.263","0.002","87.408","0.002","1447.39","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5''-(4-Chlorobenzylidene)-4'-(4-chlorophenyl)-1'-methyltrispiro[acenapthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2(1<i>H</i>),6''-dione","","- C36 H29 Cl2 N O4 -","- C36 H29 Cl2 N O4 -","- C72 H58 Cl4 N2 O8 -","2","1","RZ5168","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1'-methyltrispiro[acenapthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2(1<i>H</i>),6''-dione","Acta Crystallographica Section E","2015","71","11","o814","o815","10.1107/S2056989015018034","","","0.71073","MoKα","","0.0582","0.0408","","","0.0945","0.1109","","","","","","1.064","","","","has coordinates,has Fobs","159558","2020-10-21","18:00:00",""
"2241177","10.8177","0.0004","28.568","0.0011","26.1639","0.0011","90","","95.315","0.002","90","","8050.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-trisilver(I) iodide‒<i>N</i>-phenylthiourea (1/1)","","- C82 H74 Ag3 I3 N2 P6 S -","- C82 H74 Ag3 I3 N2 P6 S -","- C328 H296 Ag12 I12 N8 P24 S4 -","4","1","LH5785","Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Palavat, Suthida; Puetpaiboon, Walailak","Crystal structure of tris[μ~2~-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-trisilver(I) iodide‒<i>N</i>-phenylthiourea (1/1)","Acta Crystallographica Section E","2015","71","11","m187","m188","10.1107/S2056989015017120","","","1.54178","CuKα","","0.0478","0.0394","","","0.0975","0.1043","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","159559","2020-10-21","18:00:00",""
"2241178","12.699","0.003","26.498","0.006","6.6591","0.0014","90","","90","","90","","2240.8","0.9","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Benzene-1,3,5-tricarboxylic acid‒4-pyridone (1/3)","","- C24 H21 N3 O9 -","- C24 H21 N3 O9 -","- C96 H84 N12 O36 -","4","1","ZL2644","Staun, Selena L.; Oliver, Allen G.","Crystal structure of benzene-1,3,5-tricarboxylic acid‒4-pyridone (1/3)","Acta Crystallographica Section E","2015","71","11","1283","1286","10.1107/S2056989015017867","","","0.71073","MoKα","","0.1003","0.0689","","","0.1534","0.1712","","","","","","1.043","","","","has coordinates,has Fobs","159560","2020-10-21","18:00:00",""
"2241179","23.933","0.005","6.3317","0.0012","8.0269","0.0014","90","","90","","90","","1216.4","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(4-Hydroxypiperidin-1-yl)(4-methylphenyl)methanone","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of (4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone","Acta Crystallographica Section E","2015","71","11","o817","o818","10.1107/S2056989015018307","","","0.71073","MoKα","","0.0997","0.0656","","","0.1859","0.2079","","","","","","1.042","","","","has coordinates,has Fobs","159561","2020-10-21","18:00:00",""
"2241180","12.7082","0.0012","4.7446","0.0004","21.124","0.002","90","","105.525","0.002","90","","1227.21","0.19","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-4-Methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","RZ5166","Adam, Farook; Arafath, Md Azharul; Haque, Rosenani Anwaeul; Razali, Mohd Rizal","Crystal structure of (<i>E</i>)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","11","o819","","10.1107/S2056989015018113","","","0.71073","MoKα","","0.0659","0.0441","","","0.1315","0.1513","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","159562","2020-10-21","18:00:00",""
"2241181","16.72","0.003","9.0056","0.0009","16.6747","0.0012","90","","112.04","0.009","90","","2327.3","0.5","302","2","302","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(2<i>S</i>*,4<i>S</i>*,5<i>R</i>*)-2-(1,1-Diphenylethyl)-4-methyl-4,5-diphenyl-1,3-dioxolane","2-(1,1-Diphenylethyl)-4-methyl-4,5-diphenyl-1,3-dioxolane","","- C30 H28 O2 -","- C30 H28 O2 -","- C120 H112 O8 -","4","1","SU5202","Kirchner, Richard M.; Corfield, Peter W. R.; Annabi, Michelle; Regan, John; Speina, Kevin; DiProperzio, Anthony; Ciaccio, James A.; Capitani, Joseph F.","Crystal structure of 2α-(1,1-diphenylethyl)-4-methyl-4α,5α-diphenyl-1,3-dioxolane: the result of a non-acid pinacol rearrangement","Acta Crystallographica Section E","2015","71","11","1278","1282","10.1107/S2056989015017752","","","0.71073","MoKα","","0.1215","0.0466","","","0.109","0.1327","","","","","","1.028","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241182","9.109","0.0002","20.9348","0.0005","12.8738","0.0004","90","","102.943","0.001","90","","2392.6","0.11","93","","93","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Ethoxybenzoic acid‒4,4'-bipyridyl (2/1)","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C112 H112 N8 O24 -","4","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒4,4'-bipyridyl (2/1), 4-<i>n</i>-propoxybenzoic acid‒4,4'-bipyridyl (2/1) and 4-<i>n</i>-butoxybenzoic acid‒4,4'-bipyridyl (2/1)","Acta Crystallographica Section E","2015","71","11","1290","1295","10.1107/S2056989015018435","","","0.71075","MoKα","","0.0519","0.0454","","","0.1208","0.1265","","","","","","1.038","","","","has coordinates,has Fobs","160585","2020-10-21","18:00:00",""
"2241183","10.7592","0.0004","10.8838","0.0003","11.6462","0.0004","86.6411","0.0011","89.2313","0.0013","73.8867","0.0012","1307.95","0.08","93","1","93","1","","","","","","","","4","P -1","-P 1","2","","4-<i>n</i>-Propoxybenzoic acid‒4,4'-bipyridyl (2/1)","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C60 H64 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒4,4'-bipyridyl (2/1), 4-<i>n</i>-propoxybenzoic acid‒4,4'-bipyridyl (2/1) and 4-<i>n</i>-butoxybenzoic acid‒4,4'-bipyridyl (2/1)","Acta Crystallographica Section E","2015","71","11","1290","1295","10.1107/S2056989015018435","","","0.71075","MoKα","","0.055","0.047","","","0.1297","0.1352","","","","","","1.035","","","","has coordinates,has Fobs","160585","2020-10-21","18:00:00",""
"2241184","7.6645","0.001","8.5087","0.0013","22.606","0.003","80.498","0.003","86.486","0.003","80.082","0.003","1431.5","0.3","93","1","93","1","","","","","","","","4","P -1","-P 1","2","","4-<i>n</i>-Butoxybenzoic acid‒4,4'-bipyridyl (2/1)","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒4,4'-bipyridyl (2/1), 4-<i>n</i>-propoxybenzoic acid‒4,4'-bipyridyl (2/1) and 4-<i>n</i>-butoxybenzoic acid‒4,4'-bipyridyl (2/1)","Acta Crystallographica Section E","2015","71","11","1290","1295","10.1107/S2056989015018435","","","0.71075","MoKα","","0.1062","0.0686","","","0.167","0.1933","","","","","","1.014","","","","has coordinates,has Fobs","160585","2020-10-21","18:00:00",""
"2241185","24.0182","0.0013","26.8445","0.0014","7.914","0.0004","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10a<i>H</i>)-one","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C224 H208 N48 O64 -","16","1","HB7515","Raja, Rajamani; Poomathi, Nataraj; Perumal, Paramasivam T.; SubbiahPandi, A.","Crystal structure of 1-methyl-2-methylamino-3-nitro-1<i>H</i>-chromeno[2,3-<i>b</i>]pyridin-5(10<i>aH</i>)-one","Acta Crystallographica Section E","2015","71","11","o824","o825","10.1107/S2056989015018241","","","0.71073","MoKα","","0.0336","0.03","","","0.0733","0.0759","","","","","","1.044","","","","has coordinates,has Fobs","160586","2020-10-21","18:00:00",""
"2241186","16.0673","0.0015","7.4804","0.0007","17.0159","0.0015","90","","113.452","0.003","90","","1876.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-(5-Chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)nicotinonitrile","5-(5-Chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile","","- C22 H14 Cl N3 O2 -","- C22 H14 Cl N3 O2 -","- C88 H56 Cl4 N12 O8 -","4","1","ZP2018","Vimala, G.; Poomathi, N.; AaminaNaaz, Y.; Perumal, P. T.; SubbiahPandi, A.","Crystal structure of 5-(5-chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)nicotinonitrile","Acta Crystallographica Section E","2015","71","11","o822","o823","10.1107/S2056989015018058","","","0.71073","MoKα","","0.085","0.057","","","0.1477","0.1701","","","","","","1.013","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241187","7.728","0.0012","8.6933","0.0014","12.721","0.002","78.507","0.004","73.781","0.004","76.148","0.004","788.7","0.2","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxy-2-(5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl)phenol","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Koh, Dongsoo","Crystal structure of 3-methoxy-2-(5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl)phenol","Acta Crystallographica Section E","2015","71","11","o828","o829","10.1107/S2056989015018472","","","0.71073","MoKα","","0.0523","0.0424","","","0.1114","0.1186","","","","","","1.064","","","","has coordinates,has Fobs","160588","2020-10-21","18:00:00",""
"2241188","9.2597","0.0008","15.6485","0.0014","10.3574","0.001","90","","107.185","0.002","90","","1433.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-<i>μ</i>-<i>N</i>-(pyridine-4-ylmethyl)pyridine-3-amine-<i>κ</i>^2^<i>N</i>:<i>N</i>'] tetrafluoridoborate methanol hemisolvate]","","- C11.5 H13 Ag B F4 N3 O0.5 -","- C11.5 H13 Ag B F4 N3 O0.5 -","- C46 H52 Ag4 B4 F16 N12 O2 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a helical silver(I) coordination polymer based on an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[silver(I)-<i>{μ</i>}-<i>N</i>-(pyridine-4-ylmethyl)pyridine-3-amine-<i>{κ</i>}^2^<i>N</i>:<i>N</i>'] tetrafluoridoborate methanol hemisolvate]","Acta Crystallographica Section E","2015","71","11","1287","1289","10.1107/S205698901501837X","","","0.71073","MoKα","","0.0821","0.0526","","","0.1473","0.1672","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2241189","7.8853","0.0006","11.9445","0.001","11.9521","0.0015","114.408","0.006","102.895","0.007","98.939","0.005","959.6","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-3,5-Dichloro-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate","","- C17 H16 Cl2 N4 O5 -","- C17 H16 Cl2 N4 O5 -","- C34 H32 Cl4 N8 O10 -","2","1","YK2106","Joseph, Bibitha; Sajitha, N. R.; Sithambaresan, M.; Seena, E. B.; Kurup, M. R. Prathapachandra","Crystal structure of <i>N</i>'-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate","Acta Crystallographica Section E","2015","71","11","o826","o827","10.1107/S2056989015018290","","","0.71073","MoKα","","0.0745","0.0428","","","0.1287","0.1591","","","","","","0.945","","","","has coordinates,has Fobs","160590","2020-10-21","18:00:00",""
"2241190","10.2273","0.0007","12.0946","0.0007","15.2099","0.001","70.792","0.003","89.1","0.003","69.737","0.003","1656.42","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(4-Ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","2","JJ2193","Vimala, G.; Haribabu, J.; Srividya, S.; Karvembu, R.; SubbiahPandi, A.","Crystal structure of <i>N</i>-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide","Acta Crystallographica Section E","2015","71","11","o820","o821","10.1107/S205698901501806X","","","0.71073","MoKα","","0.1174","0.0602","","","0.1452","0.2051","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","160591","2020-10-21","18:00:00",""
"2241191","9.3619","0.001","9.7681","0.0011","10.6249","0.0012","88.092","0.006","78.668","0.006","76.559","0.006","926.51","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[μ~2~-3,3-Dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>]bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","","- C14 H12 Fe2 O6 S3 -","- C14 H12 Fe2 O6 S3 -","- C28 H24 Fe4 O12 S6 -","2","1","WM5218","Zhao, Peihua; Bertke, Jeffery A.; Rauchfuss, Thomas B.","Crystal structure of [μ~2~-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ^4^<i>S</i>:<i>S</i>':<i>S</i>:<i>S</i>']bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2015","71","11","1296","1299","10.1107/S2056989015018496","","","0.71073","MoKα","","0.0282","0.0223","","","0.0527","0.0551","","","","","","1.042","","","","has coordinates,has Fobs","164390","2020-10-21","18:00:00",""
"2241192","8.3293","0.0002","12.2924","0.0003","19.3226","0.0004","90","","90","","90","","1978.38","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[4(<i>E</i>)-2,6-Bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide","","- C21 H22 Cl2 N2 O -","- C21 H22 Cl2 N2 O -","- C84 H88 Cl8 N8 O4 -","4","1","SU5218","Priya, K.; Saravanan, K.; Selvanayagam, S.; Kabilan, S.","Crystal structure of 2-[4(<i>E</i>)-2,6-bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide","Acta Crystallographica Section E","2015","71","11","o832","o833","10.1107/S2056989015018666","","","0.71073","MoKα","","0.0369","0.0346","","","0.094","0.0968","","","","","","1.038","","","","has coordinates,has Fobs","164395","2020-10-21","18:00:00",""
"2241193","10.7072","0.0009","10.7072","0.0009","11.0283","0.0013","90","","90","","120","","1094.94","0.18","170","2","170","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Tris(hydroxylammonium) orthophosphate","","- H12 N3 O7 P -","- H12 N3 O7 P -","- H72 N18 O42 P6 -","6","0.333333","WM5223","Leinemann, Malte; Jess, Inke; Boeckmann, Jan; Näther, Christian","Crystal structure of tris(hydroxylammonium) orthophosphate","Acta Crystallographica Section E","2015","71","11","i10","i11","10.1107/S2056989015018642","","","0.71073","MoKα","","0.036","0.0341","","","0.0885","0.0895","","","","","","1.091","","","","has coordinates,has Fobs","164400","2020-10-21","18:00:00",""
"2241194","3.8273","0.0002","14.678","0.006","15.549","0.006","90","","96.13","0.009","90","","868.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-1-methyl-5-nitro-1<i>H</i>-indazole","","- C8 H6 Cl N3 O2 -","- C8 H6 Cl N3 O2 -","- C32 H24 Cl4 N12 O8 -","4","1","ZP2019","Kouakou, Assoman; Rakib, El Mostapha; Chigr, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 3-chloro-1-methyl-5-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2015","71","11","o834","o835","10.1107/S2056989015018411","","","0.71073","MoKα","","0.0497","0.0428","","","0.1092","0.1147","","","","","","1.097","","","","has coordinates,has Fobs","164405","2020-10-21","18:00:00",""
"2241195","8.0953","0.0002","8.0953","0.0002","37.568","0.002","90","","90","","90","","2461.98","0.16","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39 hydrate","","- C24 H30.78 Mn N2 O10.39 -","- C24 H30 Mn N2 O10.39 -","- C96 H120 Mn4 N8 O41.56 -","4","0.5","SJ5481","Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39-hydrate","Acta Crystallographica Section E","2015","71","11","1307","1310","10.1107/S2056989015018551","","","1.54178","CuKα","","0.0636","0.0515","","","0.1271","0.1358","","","","","","1.052","","","","has coordinates,has Fobs","164410","2020-10-21","18:00:00",""
"2241196","7.115","0.003","8.211","0.003","12.561","0.004","91.83","0.03","104.59","0.03","114.57","0.03","638","0.5","295","2","295.15","","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminopyridinium) hexaaquacopper(II) bis(sulfate) tetrahydrate","","- C10 H34 Cu N4 O18 S2 -","- C10 H34 Cu N4 O18 S2 -","- C10 H34 Cu N4 O18 S2 -","1","0.5","HP2072","Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Crystal structure of new organically templated copper sulfate with 2-aminopyridinium","Acta Crystallographica Section E","2015","71","11","m191","m192","10.1107/S2056989015018629","","","0.71073","MoKα","","0.0744","0.0439","","","0.0818","0.0938","","","","","","1.032","","","","has coordinates,has Fobs","164415","2020-10-21","18:00:00",""
"2241197","14.8659","0.0009","17.3261","0.001","19.2709","0.0011","83.488","0.003","82.499","0.003","72.805","0.003","4686.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)","","- C72.85 H118.75 Mn4 N12.29 Na O32.66 Y -","- C72.855 H118.747 Mn4 N12.285 Na O32.661 Y -","- C145.71 H237.494 Mn8 N24.57 Na2 O65.322 Y2 -","2","1","BG2568","Travis, Jordan R.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structure of tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)","Acta Crystallographica Section E","2015","71","11","1300","1306","10.1107/S2056989015018216","","","1.54178","CuKα","","0.0578","0.0525","","","0.1384","0.1421","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","164420","2020-10-21","18:00:00",""
"2241198","9.702","0.0002","10.1456","0.0003","11.2064","0.0003","96.528","0.002","95.982","0.002","112.11","0.002","1002.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Tris(cyclohexyloxy)-1,3,5-triazine","","- C21 H33 N3 O3 -","- C21 H33 N3 O3 -","- C42 H66 N6 O6 -","2","1","SU5213","Sankolli, Ravish; Hauser, Jürg; Row, T. N. Guru; Hulliger, Jürg","Crystal structure of 2,4,6-tris(cyclohexyloxy)-1,3,5-triazine","Acta Crystallographica Section E","2015","71","11","1328","1331","10.1107/S2056989015018782","","","0.71073","MoKα","","0.0578","0.0517","","","0.1362","0.1415","","","","","","1.043","","","","has coordinates,has Fobs","167925","2020-10-21","18:00:00",""
"2241199","11.465","0.0004","14.7715","0.0004","7.5924","0.0003","90","","96.397","0.003","90","","1277.81","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Amino-4-methylsulfanyl-6-oxo-1-{[(thiophen-2-yl)methylidene]amino}-1,6-dihydropyrimidine-5-carbonitrile","","- C11 H9 N5 O S2 -","- C11 H9 N5 O S2 -","- C44 H36 N20 O4 S8 -","4","1","SU5217","Elgemeie, Galal H.; Salah, Ali M.; Mohamed, Reham A.; Jones, Peter G.","Crystal structure of (<i>E</i>)-2-amino-4-methylsulfanyl-6-oxo-1-{[(thiophen-2-yl)methylidene]amino}-1,6-dihydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2015","71","11","1319","1321","10.1107/S205698901501885X","","","0.71073","MoKα","","0.036","0.0301","","","0.0744","0.0778","","","","","","1.051","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241200","10.62","0.0008","11.6901","0.0008","23.8782","0.0017","90","","95.094","0.002","90","","2952.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(1,2-diphenylpenta-1,3-dien-1-yl-5-ylidene)(triphenylphosphane)iridium(III)","","- C35 H28 Br2 Ir P -","- C35 H28 Br2 Ir P -","- C140 H112 Br8 Ir4 P4 -","4","1","WM5215","Chase, Daniel T.; Zakharov, Lev N.; Haley, Michael M.","Crystal structures of two unusual, high oxidation state, 16-electron iridabenzenes","Acta Crystallographica Section E","2015","71","11","1315","1318","10.1107/S2056989015018952","","","0.71073","MoKα","","0.056","0.0374","","","0.0706","0.0789","","","","","","1.017","","","","has coordinates,has Fobs","167929","2020-10-21","18:00:00",""
"2241201","10.5973","0.0014","11.9431","0.0016","24.457","0.003","90","","93.331","0.003","90","","3090.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1,2-Diphenylpenta-1,3-dien-1-yl-5-ylidene)diiodido(triphenylphosphane)iridium(III)","","- C35 H28 I2 Ir P -","- C35 H28 I2 Ir P -","- C140 H112 I8 Ir4 P4 -","4","1","","Chase, Daniel T.; Zakharov, Lev N.; Haley, Michael M.","Crystal structures of two unusual, high oxidation state, 16-electron iridabenzenes","Acta Crystallographica Section E","2015","71","11","1315","1318","10.1107/S2056989015018952","","","0.71073","MoKα","","0.1073","0.0557","","","0.0945","0.1145","","","","","","1.004","","","","has coordinates,has Fobs","167929","2020-10-21","18:00:00",""
"2241202","4.4358","0.0002","12.6281","0.0004","7.5588","0.0003","90","","91.91","0.001","90","","423.18","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1<i>H</i>-imidazol-3-ium-4-yl)ethanaminium dichloride","","- C5 H11 Cl2 N3 -","- C5 H11 Cl2 N3 -","- C10 H22 Cl4 N6 -","2","1","WM5220","Louhibi, Samira; Belfilali, Imene; Boukli-Hacene, Leila; Roisnel, Thierry","Crystal structure of 2-(1<i>H</i>-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination","Acta Crystallographica Section E","2015","71","11","o844","o845","10.1107/S2056989015018848","","","0.71073","MoKα","","0.0232","0.0225","","","0.0578","0.0583","","","","","","1.081","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241203","6.9464","0.0006","12.034","0.0004","6.9463","0.0005","90","","119.914","0.01","90","","503.3","0.08","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Phosphorus oxonitride","Phosphorus oxonitride","","- N O P -","- N O P -","- N16 O16 P16 -","16","2","","Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data","Acta Crystallographica Section E","2015","71","11","1325","1327","10.1107/S205698901501899X","","","0.69428","synchrotron","","0.0423","0.0366","","","0.0995","0.1023","","","","","","1.052","","","","has coordinates,has Fobs","167931","2020-10-21","18:00:00",""
"2241204","4.6135","0.0002","4.6135","0.0002","6.9991","0.0005","90","","90","","90","","148.972","0.014","293","2","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","Phosphorus oxonitride","Phosphorus oxonitride","","- N O P -","- N O P -","- N4 O4 P4 -","4","0.25","","Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data","Acta Crystallographica Section E","2015","71","11","1325","1327","10.1107/S205698901501899X","","","0.71069","MoKα","","0.0159","0.0159","","","0.0429","0.0429","","","","","","1.453","","","","has coordinates,has Fobs","167931","2020-10-21","18:00:00",""
"2241205","10.7862","0.0008","6.7093","0.0005","11.7365","0.0006","90","","98.632","0.006","90","","839.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Hydroxy-5-propylbarbituric acid","5-Hydroxy-5-propylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>),5<i>H</i>)-trione","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","ZS2347","Gelbrich, Thomas; Griesser, Ulrich J.","Crystal structure of 5-hydroxy-5-propylbarbituric acid","Acta Crystallographica Section E","2015","71","11","1311","1314","10.1107/S2056989015018769","","","0.71073","MoKα","","0.0559","0.0373","","","0.0895","0.0954","","","","","","1.049","","","","has coordinates,has Fobs","167932","2020-10-21","18:00:00",""
"2241206","9.1107","0.0004","9.9911","0.0004","11.6498","0.0006","96.482","0.004","107.802","0.004","99.322","0.004","981.33","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2-Amino-5-cyano-4-methylsulfanyl-6-oxo-1,6-dihydropyrimidin-1-yl)-4-bromobenzenesulfonamide dimethylformamide monosolvate","","- C15 H17 Br N6 O4 S2 -","- C15 H17 Br N6 O4 S2 -","- C30 H34 Br2 N12 O8 S4 -","2","1","LH5790","Elgemeie, Galal H.; Mohamed, Reham A.; Hussein, Hoda A.; Jones, Peter G.","Crystal structure of <i>N</i>-(2-amino-5-cyano-4-methylsulfanyl-6-oxo-1,6-dihydropyrimidin-1-yl)-4-bromobenzenesulfonamide dimethylformamide monosolvate","Acta Crystallographica Section E","2015","71","11","1322","1324","10.1107/S2056989015018903","","","0.71073","MoKα","","0.0322","0.0265","","","0.0591","0.0611","","","","","","1.056","","","","has coordinates,has Fobs","167933","2020-10-21","18:00:00",""
"2241207","18.718","0.004","8.4175","0.0015","17.074","0.003","90","","90","","90","","2690.2","0.9","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}","","- C22 H44 Cu2 I2 N4 -","- C22 H44 Cu2 I2 N4 -","- C88 H176 Cu8 I8 N16 -","4","0.25","","Barth, Eva Rebecca; Golz, Christopher; Strohmann, Carsten","Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ^2^<i>N</i>,<i>N</i>']copper(I)}","Acta Crystallographica Section E","2015","71","11","m193","m194","10.1107/S2056989015018757","","","0.71073","MoKα","","0.0479","0.0319","","","0.0646","0.0701","","","","","","1.069","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2241208","8.774","0.0004","25.3083","0.0011","17.7893","0.0008","90","","101.321","0.002","90","","3873.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper caproato 4-cyanopyridine","Tetrakis(μ-caproato-κ^2^<i>O</i>:<i>O</i>')bis[(4-cyanopyridine-κ<i>N</i>^1^)copper(II)]","","- C36 H52 Cu2 N4 O8 -","- C36 H52 Cu2 N4 O8 -","- C144 H208 Cu8 N16 O32 -","4","1","","Baruah, Sukanya; Islam, Zinnatara; Karmakar, Sanjib; Das, Birinchi Kumar","Crystal structure of tetrakis(μ-caproato-κ^2^<i>O</i>:<i>O</i>')bis[(4-cyanopyridine-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2015","71","11","m195","m196","10.1107/S2056989015019052","","","0.71073","MoKα","","0.0507","0.0351","","","0.0788","0.0842","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","167935","2020-10-21","18:00:00",""
"2241209","4.8614","0.0004","13.822","0.0015","21.755","0.002","90","","90","","90","","1461.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(1-Benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","SU5214","Satheeshchandra, S.; Shetty, Nandakumar","Crystal structure of (2<i>E</i>)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2015","71","11","o840","o841","10.1107/S2056989015018897","","","0.71073","MoKα","","0.0956","0.0419","","","0.0881","0.1024","","","","","","1.007","","","","has coordinates,has Fobs","167936","2020-10-21","18:00:00",""
"2241210","11.8571","0.0012","9.0888","0.0009","17.3977","0.0017","90","","95.253","0.002","90","","1867","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dimethoxynaphthalen-1-yl)-3-hydroxy-6-methoxy-4<i>H</i>-chromen-4-one","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","FF2142","Ahn, Seunghyun; Lim, Yoongho; Koh, Dongsoo","Crystal structure of 2-(2,3-dimethoxynaphthalen-1-yl)-3-hydroxy-6-methoxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2015","71","11","o842","o843","10.1107/S2056989015018861","","","0.71073","MoKα","","0.0965","0.0548","","","0.1371","0.1841","","","","","","1.108","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241211","8.5509","0.0011","8.6327","0.0011","20.057","0.003","90","","90","","90","","1480.6","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,2,3,5-di-<i>O</i>-Methylene-α-<i>D</i>-xylofuranose","","- C7 H10 O5 -","- C7 H10 O5 -","- C56 H80 O40 -","8","1","ZL2650","Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi","Crystal structure of 1,2,3,5-di-<i>O</i>-methylene-α-<small>D</small>-xylofuranose","Acta Crystallographica Section E","2015","71","11","o889","","10.1107/S2056989015020022","","","0.71073","MoKα","","0.0396","0.0328","","","0.0708","0.0738","","","","","","1.047","","","","has coordinates,has Fobs","169807","2020-10-21","18:00:00",""
"2241212","14.5604","0.0005","5.2459","0.0002","17.6094","0.0006","90","","95.205","0.002","90","","1339.5","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C56 H60 N4 O12 S4 -","4","1","CV5497","Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2015","71","11","1388","1391","10.1107/S2056989015019787","","","1.54178","CuKα","","0.0495","0.0481","","","0.1428","0.145","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241213","20.2188","0.0013","12.1199","0.0008","5.177","0.0003","90","","90","","90","","1268.62","0.14","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>-(4-Fluorophenyl)-4-methoxybenzenesulfonamide","","- C13 H12 F N O3 S -","- C13 H12 F N O3 S -","- C52 H48 F4 N4 O12 S4 -","4","1","CV5497","Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2015","71","11","1388","1391","10.1107/S2056989015019787","","","1.54178","CuKα","","0.0343","0.0337","","","0.0996","0.1002","","","","","","1.094","","","","has coordinates,has Fobs","169808","2020-10-21","18:00:00",""
"2241214","7.875","0.003","18.379","0.005","10.444","0.004","90","","105.95","0.03","90","","1453.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate","","- C12 H32 Bi2 Cl10 N4 O2 -","- C12 H32 Bi2 Cl10 N4 O2 -","- C24 H64 Bi4 Cl20 N8 O4 -","2","0.5","VN2102","Chouri, Marwen; Boughzala, Habib","Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate","Acta Crystallographica Section E","2015","71","11","1384","1387","10.1107/S2056989015019933","","","0.71073","MoKα","","0.0467","0.0364","","","0.0966","0.1022","","","","","","1.058","","","","has coordinates,has Fobs","169809","2020-10-21","18:00:00",""
"2241215","13.796","0.0004","10.1905","0.0003","16.1305","0.0005","90","","90","","90","","2267.76","0.12","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dichloridobis[2-(phenyldiazenyl)pyridine-κ<i>N</i>^1^]zinc","","- C22 H18 Cl2 N6 Zn -","- C22 H18 Cl2 N6 Zn -","- C88 H72 Cl8 N24 Zn4 -","4","0.5","","Vittaya, Luksamee; Leesakul, Nararak; Saithong, Saowanit; Chainok, Kittipong","Crystal structure of dichloridobis[2-(phenyldiazenyl)pyridine-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2015","71","11","m201","m202","10.1107/S2056989015019143","","","0.71073","MoKα","","0.047","0.0297","","","0.0729","0.0834","","","","","","1.056","","","","has coordinates,has Fobs","169810","2020-10-21","18:00:00",""
"2241216","5.878","0.0012","34.503","0.007","8.812","0.0018","90","","92.42","0.03","90","","1785.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>R</i>,5<i>S</i>,6<i>R</i>)-6-Azido-5-benzyloxy-3,3,4-trifluoroazepan-1-ium 2,2,2-trifluoroacetate","","- C15 H16 F6 N4 O3 -","- C15 H16 F6 N4 O3 -","- C60 H64 F24 N16 O12 -","4","2","SJ5470","Patel, Alpesh Ramanlal; Bhadbhade, Mohan M.; Liu, Fei","Crystal structure of (4<i>R</i>,5<i>S</i>,6<i>R</i>)-6-azido-5-benzyloxy-3,3,4-trifluoroazepan-1-ium 2,2,2-trifluoroacetate from synchrotron data","Acta Crystallographica Section E","2015","71","11","1361","1365","10.1107/S2056989015019416","","","0.7293","Synchrotron","","0.1545","0.1163","","","0.2349","0.2613","","","","","","0.967","","","","has coordinates,has Fobs","169811","2020-10-21","18:00:00",""
"2241217","9.1497","0.0003","14.7052","0.0005","10.0037","0.0003","90","","97.051","0.001","90","","1335.8","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-Benzylidene-4-methyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","TK5394","Ellouz, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-2-benzylidene-4-methyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","11","o862","o863","10.1107/S2056989015019295","","","0.71073","MoKα","","0.0664","0.0482","","","0.1357","0.1525","","","","","","1.124","","","","has coordinates,has Fobs","169812","2020-10-21","18:00:00",""
"2241218","6.6258","0.0001","11.0019","0.0002","13.8592","0.0003","110.98","0.001","99.401","0.002","93.338","0.001","923.14","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>,4<i>E</i>)-5-[Bis(2-hydroxyethyl)amino]-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one","","- C21 H22 Cl N O3 -","- C21 H22 Cl N O3 -","- C42 H44 Cl2 N2 O6 -","2","1","XU5877","Golovanov, Alexander A.; Vologzhanina, Anna V.; Odin, Ivan S.; Tret'yakova, Tat'yana P.; Naumov, Sergey V.","Crystal structure of (2<i>E</i>,4<i>E</i>)-5-[bis(2-hydroxyethyl)amino]-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2015","71","11","o870","o871","10.1107/S2056989015019568","","","1.54178","CuKα","","0.0363","0.0314","","","0.0877","0.0915","","","","","","0.991","","","","has coordinates,has Fobs","169813","2020-10-21","18:00:00",""
"2241219","6.027","0.005","19.926","0.005","15.415","0.005","90","0.005","90.366","0.005","90","0.005","1851.2","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1,3-Bis(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","SU5219","Patel, Paresh N.; Chadha, Anju","Crystal structure of (<i>E</i>)-1,3-bis(6-methoxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","11","o884","o885","10.1107/S2056989015019714","","","0.71073","MoKα","","0.1356","0.0605","","","0.1557","0.1788","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","169814","2020-10-21","18:00:00",""
"2241220","7.5069","0.0007","9.7435","0.001","10.782","0.001","88.49","0.007","73.798","0.007","71.981","0.007","718.61","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-1,3-dibromo-6-oxo-5,6-dihydropyrido[1,2-<i>a</i>]quinoxalin-11-ium bromide monohydrate","","- C12 H10 Br3 N3 O2 -","- C12 H10 Br3 N3 O2 -","- C24 H20 Br6 N6 O4 -","2","1","ZS2343","Faizi, Md. Serajul Haque; Parashchenko, Yuliia","Crystal structure of 2-amino-1,3-dibromo-6-oxo-5,6-dihydropyrido[1,2-<i>a</i>]quinoxalin-11-ium bromide monohydrate","Acta Crystallographica Section E","2015","71","11","1332","1335","10.1107/S2056989015018253","","","0.71073","MoKα","","0.0719","0.0585","","","0.1482","0.1553","","","","","","0.998","","","","has coordinates,has Fobs","169815","2020-10-21","18:00:00",""
"2241221","10.6042","0.0001","14.6447","0.0001","27.7906","0.0003","90","","98.31","0.001","90","","4270.44","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate","","- C18 H20 Cl3 N6 O2.5 -","- C18 H20 Cl3 N6 O2.5 -","- C144 H160 Cl24 N48 O20 -","8","2","XU5874","Ling, Bo-Kai; Feng, Xiao-Long; Li, Yang; Luan, Tian-Gang","Crystal structure of 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate","Acta Crystallographica Section E","2015","71","11","o858","o859","10.1107/S2056989015018125","","","1.54184","CuKα","","0.0291","0.0261","","","0.0736","0.0759","","","","","","1.045","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241222","10.5658","0.0011","13.8297","0.0015","16.7166","0.0018","90","","90.575","0.001","90","","2442.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>cyclo</i>-Tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)","","- C24 F12 Hg3 N4 -","- C24 F12 Hg3 N4 -","- C96 F48 Hg12 N16 -","4","0.5","RU2064","Castañeda, Raúl; Timofeeva, Tatiana V.; Khrustalev, Victor N.","Crystal structure of <i>cyclo</i>-tris(μ-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury‒tetracyanoethylene (1/1)","Acta Crystallographica Section E","2015","71","11","1375","1378","10.1107/S2056989015019350","","","0.71073","MoKα","","0.0247","0.023","","","0.0539","0.0547","","","","","","1.06","","","","has coordinates,has Fobs","169817","2020-10-21","18:00:00",""
"2241223","9.013","0.004","9.767","0.004","12.726","0.006","75.008","0.016","89.79","0.02","76.493","0.016","1050.3","0.8","293","","293.15","","","","","","","","","4","P -1","-P 1","2","","{[2-Hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate","","- C23 H31 N O4 -","- C23 H31 N O4 -","- C46 H62 N2 O8 -","2","1","SJ5480","Sheshadri, S. N.; Nagendra, P.; Siddaraju, B. P.; Hemakumar, K. H.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.","Crystal structure of {[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl}dimethylammonium benzoate","Acta Crystallographica Section E","2015","71","11","o864","o865","10.1107/S2056989015019362","","","0.71075","MoKα","","0.0913","0.053","","","0.1173","0.1343","","","","","","1.031","","","","has coordinates,has Fobs","169818","2020-10-21","18:00:00",""
"2241224","28.4747","0.0008","6.186","0.005","22.925","0.012","90","","114.792","0.011","90","","3666","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","{6,6'-Dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)","","- C20 H23 Cu N3 O4 -","- C20 H23 Cu N3 O4 -","- C160 H184 Cu8 N24 O32 -","8","2","","Noor, Shabana; Kumar, Sarvendra; Sabir, Suhail; Seidel, Rüdiger W.; Goddard, Richard","Crystal structure of {6,6'-dihydroxy-2,2'-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ^5^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1'^}copper(II)","Acta Crystallographica Section E","2015","71","11","m203","m204","10.1107/S2056989015019684","","","0.71073","MoKα","","0.0769","0.0695","","","0.1784","0.1822","","","","","","1.246","","","","has coordinates,has Fobs","169819","2020-10-21","18:00:00",""
"2241225","10.1466","0.0002","13.9076","0.0003","12.7775","0.0003","90","","104.756","0.002","90","","1743.63","0.07","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Butane-2,3-dione bis(4-methylthiosemicarbazonato)-κ^4^<i>S</i>,<i>N</i>^1^,<i>N</i>^1'^,<i>S</i>'](pyridine-κ<i>N</i>)zinc(II)","","- C13 H19 N7 S2 Zn -","- C13 H19 N7 S2 Zn -","- C52 H76 N28 S8 Zn4 -","4","1","PJ2023","Brown, Oliver C.; Tocher, Derek A.; Blower, Philip J.; Went, Michael J.","Crystal structure of [butane-2,3-dione bis(4-methylthiosemicarbazonato)-κ^4^<i>S</i>,<i>N</i>^1^,<i>N</i>^1'^,<i>S</i>'](pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2015","71","11","1349","1351","10.1107/S2056989015019234","","","1.54184","CuKα","","0.0396","0.0308","","","0.0697","0.0739","","","","","","1.037","","","","has coordinates,has Fobs","169820","2020-10-21","18:00:00",""
"2241226","7.832","0.005","18.398","0.01","8.298","0.005","90","","92.906","0.005","90","","1194.1","1.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromopyridine <i>N</i>-oxide","","- C5 H4 Br N O -","- C5 H4 Br N O -","- C40 H32 Br8 N8 O8 -","8","2","LH5792","Hutchinson, Matthew G.; Lynch, Will E.; Padgett, Clifford W.","Crystal structure of 3-bromopyridine <i>N</i>-oxide","Acta Crystallographica Section E","2015","71","11","o869","","10.1107/S205698901501909X","","","0.71073","MoKα","","0.071","0.0409","","","0.078","0.092","","","","","","1.089","","","","has coordinates,has Fobs","169821","2020-10-21","18:00:00",""
"2241227","26.8843","0.001","5.0367","0.0002","20.9264","0.0012","90","","117.489","0.002","90","","2513.7","0.2","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-(4-Chlorobenzamido)benzoic acid","2-(4-Chlorobenzamido)benzoic acid","","- C14 H10 Cl N O3 -","- C14 H10 Cl N O3 -","- C112 H80 Cl8 N8 O24 -","8","1","TK5391","Moreno-Fuquen, Rodolfo; Melo, Vanessa; Ellena, Javier","Crystal structure of 2-(4-chlorobenzamido)benzoic acid","Acta Crystallographica Section E","2015","71","11","o856","o857","10.1107/S2056989015017879","","","0.71073","MoKα","","0.1295","0.0429","","","0.0982","0.1315","","","","","","0.923","","","","has coordinates,has Fobs","169822","2020-10-21","18:00:00",""
"2241228","12.8022","0.0005","6.4019","0.0002","15.9557","0.0006","90","","98.821","0.004","90","","1292.24","0.08","99.98","0.14","99.98","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","Aflatrem","(3<i>R</i>,5b<i>S</i>,7a<i>S</i>,13b<i>S</i>,13c<i>R</i>,15a<i>S</i>)-\ 9-(1,1-Dimethyl-2-propenyl)-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-\ hydroxy-2,2,13b,13c-tetramethyl-4<i>H</i>-3,15a-epoxy-1-\ benzoxepino[6',7':6,7]indeno[1,2-<i>b</i>]indol-4-one","","- C32 H39 N O4 -","- C32 H39 N O4 -","- C64 H78 N2 O8 -","2","1","LH5789","Lenta, Bruno N.; Ngatchou, Jules; Kenfack, Patrice T.; Neumann, Beate; Stammler, Hans-Georg; Sewald, Norbert","Crystal and molecular structure of aflatrem","Acta Crystallographica Section E","2015","71","11","o867","o868","10.1107/S2056989015019040","","","1.5418","CuKα","","0.0639","0.0556","","","0.1424","0.1503","","","","","","1.055","","","","has coordinates,has Fobs","201217","2020-10-21","18:00:00",""
"2241229","11.952","0.002","12.129","0.002","19.59","0.004","90","","98.921","0.003","90","","2805.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2-[({2-[(2-Aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)]copper(II) ethanol 0.25-solvate","","- C11.5 H17.5 Cu N4 O5.25 -","- C11.5 H17.5 Cu N4 O5.25 -","- C92 H140 Cu8 N32 O42 -","8","2","","Noor, Shabana; Kumar, Sarvendra; Sabir, Suhail; Seidel, Rüdiger W.; Goddard, Richard","Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}(nitrato-κ<i>O</i>)copper(II) ethanol 0.25-solvate","Acta Crystallographica Section E","2015","71","11","m205","m206","10.1107/S205698901501960X","","","0.71073","MoKα","","0.0662","0.0441","","","0.1032","0.1115","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176429","2020-10-21","18:00:00",""
"2241230","9.7381","0.0007","20.5072","0.0014","11.8261","0.0008","90","","102.836","0.002","90","","2302.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4'-Diphenyl-3'-<i>p</i>-tolyl-4'<i>H</i>-spiro[indan-2,5'-[1,2]oxazol]-1-one","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C120 H92 N4 O8 -","4","1","IS5427","Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 3,4'-diphenyl-3'-<i>p</i>-tolyl-4'<i>H</i>-spiro[indan-2,5'-[1,2]oxazol]-1-one","Acta Crystallographica Section E","2015","71","11","o873","o874","10.1107/S2056989015019581","","","0.71073","MoKα","","0.086","0.0488","","","0.1275","0.1501","","","","","","1.033","","","","has coordinates,has Fobs","169825","2020-10-21","18:00:00",""
"2241231","5.7365","0.0007","9.7526","0.001","11.776","0.0011","103.27","0.008","93.468","0.009","105.493","0.01","612.69","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Morpholin-4-ium cinnamate","Morpholin-4-ium 3-phenylprop-2-enoate","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C26 H34 N2 O6 -","2","1","TK5397","Smith, Graham","Crystal structure of morpholin-4-ium cinnamate","Acta Crystallographica Section E","2015","71","11","o850","o851","10.1107/S2056989015019179","","","0.71073","MoKα","","0.0634","0.0431","","","0.0908","0.1002","","","","","","1.014","","","","has coordinates,has Fobs","169826","2020-10-21","18:00:00",""
"2241232","8.1524","0.0004","11.8809","0.0006","14.6377","0.0009","102.077","0.003","90.001","0.003","100.692","0.003","1361.21","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-Methylpyridinium picrate","2-Methylpyridinium 2,4,6-trinitrophenolate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","HB7512","Gomathi, Jeganathan; Kalaivani, Doraisamyraja","Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate","Acta Crystallographica Section E","2015","71","11","o848","o849","10.1107/S205698901501912X","","","0.71073","MoKα","","0.0889","0.052","","","0.1276","0.1585","","","","","","1.061","","","","has coordinates,has Fobs","169828","2020-10-21","18:00:00",""
"2241233","7.0974","0.0004","8.0898","0.0004","26.9429","0.0015","90","","90","","90","","1546.97","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Diethyl (<i>E</i>)-2-[(1-benzofuran-2-yl)methylidene]succinate","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Schirmer, Marie-Luis; Spannenberg, Anke; Werner, Thomas","Crystal structure of diethyl (<i>E</i>)-2-[(benzofuran-2-yl)methylidene]succinate","Acta Crystallographica Section E","2015","71","11","o872","","10.1107/S2056989015019313","","","0.71073","MoKα","","0.0403","0.0353","","","0.0841","0.0866","","","","","","1.028","","","","has coordinates,has Fobs","169829","2020-10-21","18:00:00",""
"2241234","9.0682","0.0007","6.8402","0.0005","11.4686","0.0009","90","","103.349","0.001","90","","692.16","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","14195a","(<i>N</i>-Methyl-<i>N-</i>phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)sulfide","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C30 H32 N4 O2 S2 -","2","1","","Henley, Matthew J.; Schroll, Alayne L.; Young, Jr, Victor G.; Barany, George","Crystal structures of (<i>N</i>-methyl-<i>N-</i>phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)sulfide and the corresponding disulfane","Acta Crystallographica Section E","2015","71","11","1371","1374","10.1107/S2056989015018289","","","0.71073","MoKα","","0.0292","0.0268","","","0.0655","0.0672","","","","","","1.052","","","","has coordinates,has Fobs","169830","2020-10-21","18:00:00",""
"2241235","16.0414","0.0017","5.5023","0.0006","17.2986","0.0019","90","","105.564","0.001","90","","1470.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14245a","(<i>N</i>-Methyl-<i>N</i>-phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane","","- C15 H16 N2 O S2 -","- C15 H16 N2 O S2 -","- C60 H64 N8 O4 S8 -","4","1","","Henley, Matthew J.; Schroll, Alayne L.; Young, Jr, Victor G.; Barany, George","Crystal structures of (<i>N</i>-methyl-<i>N-</i>phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)sulfide and the corresponding disulfane","Acta Crystallographica Section E","2015","71","11","1371","1374","10.1107/S2056989015018289","","","0.71073","MoKα","","0.0312","0.0276","","","0.0679","0.0704","","","","","","1.06","","","","has coordinates,has Fobs","169830","2020-10-21","18:00:00",""
"2241236","8.436","0.002","18.682","0.005","8.427","0.003","90","","90","","90","","1328.1","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Rojek, Tomasz; Matczak-Jon, Ewa","Crystal structure of dicyclohexylammonium nitrate(V)","Acta Crystallographica Section E","2015","71","11","o878","o879","10.1107/S2056989015019386","","","0.71073","MoKα","","0.0381","0.0368","","","0.0925","0.0938","","","","","","1.066","","","","has coordinates","169831","2020-10-21","18:00:00",""
"2241237","6.967","0.003","9.163","0.004","10.813","0.006","75.41","0.02","74.97","0.02","77.801","0.019","637.3","0.5","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-Ethoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","1","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1), 4-<i>n</i>-propoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1) and 4-<i>n</i>-butoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","Acta Crystallographica Section E","2015","71","11","1340","1344","10.1107/S2056989015019349","","","0.71075","MoKα","","0.0403","0.0379","","","0.1107","0.1128","","","","","","1.069","","","","has coordinates,has Fobs","169832","2020-10-21","18:00:00",""
"2241238","9.121","0.003","12.552","0.005","13.306","0.006","71.328","0.016","75.076","0.018","89.817","0.016","1389.3","1","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","4-<i>n</i>-Propoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1), 4-<i>n</i>-propoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1) and 4-<i>n</i>-butoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","Acta Crystallographica Section E","2015","71","11","1340","1344","10.1107/S2056989015019349","","","0.71075","MoKα","","0.0581","0.0412","","","0.1145","0.1216","","","","","","0.966","","","","has coordinates,has Fobs","169832","2020-10-21","18:00:00",""
"2241239","7.702","0.002","10.726","0.004","19.01","0.007","83.861","0.017","78.794","0.016","73.612","0.015","1475.7","0.9","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","4-<i>n</i>-Butoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","","- C34 H40 N2 O6 -","- C34 H40 N2 O6 -","- C68 H80 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1), 4-<i>n</i>-propoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1) and 4-<i>n</i>-butoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)","Acta Crystallographica Section E","2015","71","11","1340","1344","10.1107/S2056989015019349","","","0.71075","MoKα","","0.0533","0.0432","","","0.125","0.1294","","","","","","1.059","","","","has coordinates,has Fobs","169832","2020-10-21","18:00:00",""
"2241240","13.195","0.003","5.6162","0.0008","14.958","0.003","90","","107","0.02","90","","1060","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(Furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","HB7522","Paswan, Santosh; Bharty, Manoj K.; Kumari, Sanyucta; Gupta, Sushil K.; Singh, Nand K.","Crystal structure of 5-(furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2015","71","11","o880","o881","10.1107/S2056989015019453","","","0.71073","MoKα","","0.1709","0.0639","","","0.0965","0.1422","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","169833","2020-10-21","18:00:00",""
"2241241","11.0299","0.0002","14.1131","0.0002","20.2211","0.0003","90","","90","","90","","3147.74","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","RZ5174","Karrouchi, Khalid; Ansar, M'hammed; Radi, Smaail; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>'-diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","Acta Crystallographica Section E","2015","71","11","o890","o891","10.1107/S2056989015020071","","","0.71073","MoKα","","0.0567","0.0467","","","0.1274","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","169834","2020-10-21","18:00:00",""
"2241242","13.774","0.003","10.474","0.002","18.123","0.004","90","","94.37","0.03","90","","2607","1","243","2","243","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Hexakis(urea-κ<i>O</i>)chromium(III) dichromate bromide monohydrate","","- C6 H26 Br Cr3 N12 O14 -","- C6 H26 Br Cr3 N12 O14 -","- C24 H104 Br4 Cr12 N48 O56 -","4","1","WM5225","Moon, Dohyun; Tanaka, Shinnosuke; Akitsu, Takashiro; Choi, Jong-Ha","Crystal structure of hexakis(urea-κ<i>O</i>)chromium(III) dichromate bromide monohydrate from synchrotron X-ray data","Acta Crystallographica Section E","2015","71","11","1336","1339","10.1107/S2056989015019258","","","0.62","synchrotron","","0.0421","0.0309","","","0.0867","0.091","","","","","","1.035","","","","has coordinates,has Fobs","169835","2020-10-21","18:00:00",""
"2241243","7.779","0.002","12.747","0.002","18.252","0.003","90","","94.97","0.01","90","","1803","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","<i>catena</i>-Poly[<i>p</i>-4-methoxyanilinium [[diiodidobismuthate(III)]-di-μ-iodido] dihydrate]","<i>catena</i>-Poly[<i>p</i>-anisidinium [[diiodidobismuthate(III)]-di-μ-iodido]] dihydrate]","","- C7 H14 Bi I4 N O3 -","- C7 H14 Bi I4 N O3 -","- C28 H56 Bi4 I16 N4 O12 -","4","1","VN2100","Touati, Mohamed El Mehdi; Elleuch, S.; Boughzala, Habib","Synthesis and structural studies of a new complex of <i>catena</i>-poly[<i>p</i>-anisidinium [[diiodidobismuthate(III)]-di-μ-iodido] dihydrate]","Acta Crystallographica Section E","2015","71","11","1352","1355","10.1107/S2056989015019489","","","0.71073","MoKα","","0.0563","0.0352","","","0.0739","0.0802","","","","","","1.046","","","","has coordinates,has Fobs","169836","2020-10-21","18:00:00",""
"2241244","8.0112","0.0012","7.7011","0.0012","14.742","0.002","90","","90.982","0.002","90","","909.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C28 H28 Cl4 N8 O16 -","4","2","TK5395","Nguyen, Vu D.; McCormick, Cameron A.; Mague, Joel T.; Koplitz, Lynn V.","Crystal structure of 2-cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2015","71","11","o852","o853","10.1107/S2056989015019155","","","0.71073","MoKα","","0.047","0.0429","","","0.1049","0.1085","","","","","","1.003","","","","has coordinates,has Fobs","169837","2020-10-21","18:00:00",""
"2241245","12.2171","0.0008","5.0741","0.0003","15.7078","0.001","90","","98.82","0.006","90","","962.22","0.11","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-fluoro-N-(thiazol-2-yl)benzamide","","","- C10 H7 F N2 O S -","- C10 H7 F N2 O S -","- C40 H28 F4 N8 O4 S4 -","4","1","HB7520","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Becerra, Diana; Camargo, Hernando; Henao, José A.","Crystal structure of 2-fluoro-<i>N</i>-(1,3-thiazol-2-yl)benzamide","Acta Crystallographica Section E","2015","71","11","o882","o883","10.1107/S2056989015019192","","","0.71073","MoKα","","0.0596","0.0461","","","0.0934","0.0983","","","","","","0.885","","","","has coordinates,has Fobs","169838","2020-10-21","18:00:00",""
"2241246","7.8884","0.0005","11.8079","0.0007","12.2134","0.0006","90","","100.589","0.006","90","","1118.25","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C12 H14 N2 S -","- C12 H14 N2 S -","- C48 H56 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.","Crystal structure of 2-cyclohexyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","11","o866","","10.1107/S2056989015019106","","","1.54184","CuKα","","0.0674","0.0626","","","0.1737","0.1804","","","","","","1.034","","","","has coordinates,has Fobs","169839","2020-10-21","18:00:00",""
"2241247","8.9","0.003","13.143","0.004","20.778","0.006","84.92","0.03","85.37","0.03","83.7","0.03","2400.1","1.3","99.98","0.18","99.98","0.18","","","","","","","","7","P -1","-P 1","2","","Pentamorpholinium hexahydrogen hexamolybdoferrate(III) sulfate 3.5-hydrate","","- C20 H63 Fe Mo6 N5 O36.5 S -","- C20 H63 Fe Mo6 N5 O36.5 S -","- C40 H126 Fe2 Mo12 N10 O73 S2 -","2","1","WM5221","Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Crystal structure of an organic‒inorganic hybrid compound based on morpholinium cations and a β-type Anderson polyanion","Acta Crystallographica Section E","2015","71","11","1345","1348","10.1107/S2056989015019246","","","0.71073","MoKα","","0.0578","0.0418","","","0.1016","0.1117","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","169840","2020-10-21","18:00:00",""
"2241248","19.274","0.003","12.0033","0.0017","7.196","0.001","90","","100.081","0.002","90","","1639.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate","","- C12 H26 Co N2 O9 -","- C12 H26 Co N2 O9 -","- C48 H104 Co4 N8 O36 -","4","1","","Liu, Yang; Zhou, Dan; Liu, Hai-Hui; He, Chen-Cong","Crystal structure of bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate","Acta Crystallographica Section E","2015","71","11","m199","m200","10.1107/S205698901501943X","","","0.71073","MoKα","","0.047","0.0367","","","0.0991","0.1082","","","","","","1.04","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241249","9.5596","0.0002","9.8733","0.0002","11.5606","0.0003","90","","98.122","0.002","90","","1080.2","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Nitrophenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C12 H7 N3 O2 S -","- C12 H7 N3 O2 S -","- C48 H28 N12 O8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.","Crystal structure of 2-(3-nitrophenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","11","o877","","10.1107/S2056989015019118","","","1.54184","CuKα","","0.0339","0.0314","","","0.0833","0.0859","","","","","","1.061","","","","has coordinates,has Fobs","169842","2020-10-21","18:00:00",""
"2241250","8.779","0.0002","15.3039","0.0004","16.4355","0.0004","90","","93.678","0.001","90","","2203.61","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane","","- C22 H38 Si2 -","- C22 H38 Si2 -","- C88 H152 Si8 -","4","1","","Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structure of 1,1,2,2-tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane","Acta Crystallographica Section E","2015","71","11","o888","","10.1107/S2056989015019891","","","0.71073","MoKα","","0.0403","0.0336","","","0.0905","0.0967","","","","","","1.06","","","","has coordinates,has Fobs","169843","2020-10-21","18:00:00",""
"2241251","5.8818","0.0002","11.9426","0.0004","28.782","0.0013","90","","94.252","0.003","90","","2016.2","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]dodecane; 4-nitrophenol","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C76 H96 N24 O24 -","4","1","SJ5479","Rivera, Augusto; Osorio, Héctor Jairo; Uribe, Juan Manuel; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the 1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (TATU)‒4-nitrophenol (1/2) adduct: the role of anomeric effect in the formation of a second hydrogen-bond interaction","Acta Crystallographica Section E","2015","71","11","1356","1360","10.1107/S2056989015019659","","","0.71073","MoKα","","0.042","0.0393","","","0.0997","0.1014","","","","","","1.045","","","","has coordinates,has Fobs","169844","2020-10-21","18:00:00",""
"2241252","5.7079","0.0005","9.7735","0.0009","11.3586","0.001","78.277","0.007","86.171","0.007","77.512","0.007","605.58","0.1","200","1","200","1","","","","","","","","4","P -1","-P 1","2","morpholinium phenoxyacetate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium phenoxyacetate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","SU5227","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues","Acta Crystallographica Section E","2015","71","11","1392","1396","10.1107/S2056989015019842","","","0.71073","MoKα","","0.0702","0.0477","","","0.1001","0.1126","","","","","","1.023","","","","has coordinates,has Fobs","169845","2020-10-21","18:00:00",""
"2241253","5.7997","0.0005","10.2605","0.001","10.4836","0.0011","88.388","0.008","82.792","0.008","80.325","0.008","610.11","0.1","200","1","200","2","","","","","","","","5","P -1","-P 1","2","morpholinium (4-fluorophenoxy)acetate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium (4-fluorophenoxy)acetate","","- C12 H16 F N O4 -","- C12 H16 F N O4 -","- C24 H32 F2 N2 O8 -","2","1","SU5227","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues","Acta Crystallographica Section E","2015","71","11","1392","1396","10.1107/S2056989015019842","","","0.71073","MoKα","","0.0682","0.0458","","","0.0996","0.1164","","","","","","1.041","","","","has coordinates,has Fobs","169845","2020-10-21","18:00:00",""
"2241254","5.1733","0.0004","11.3751","0.001","11.7808","0.001","86.904","0.007","85.106","0.007","77.936","0.007","675.01","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","morpholinium (3,5-dichlorophenoxy)acetate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium (3,5-dichlorophenoxy)acetate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C24 H30 Cl4 N2 O8 -","2","1","SU5227","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues","Acta Crystallographica Section E","2015","71","11","1392","1396","10.1107/S2056989015019842","","","0.71073","MoKα","","0.054","0.0388","","","0.0833","0.0912","","","","","","1.029","","","","has coordinates,has Fobs","169845","2020-10-21","18:00:00",""
"2241255","9.3657","0.0005","7.1702","0.0003","21.134","0.0011","90","","97.981","0.005","90","","1405.48","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","morpholinium (2,4-dichlorophenoxy)acetate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium (2,4-dichlorophenoxy)acetate","","- C12 H15 Cl2 N O4 -","- C12 H15 Cl2 N O4 -","- C48 H60 Cl8 N4 O16 -","4","1","SU5227","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues","Acta Crystallographica Section E","2015","71","11","1392","1396","10.1107/S2056989015019842","","","0.71073","MoKα","","0.0509","0.0379","","","0.0843","0.0909","","","","","","1.035","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241256","7.176","0.005","21.373","0.009","17.032","0.009","90","","110.32","0.03","90","","2450","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nickel(II) Polymer","<i>catena</i>-Poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate]","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","XU5875","Morales-Tapia, Alfredo A.; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica M.; Flores-Parra, Angelina; Rivera, José María","Crystal structure of <i>catena</i>-poly[[[triaqua(4-cyanobenzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4-cyanobenzoate]","Acta Crystallographica Section E","2015","71","11","m197","m198","10.1107/S2056989015018344","","","0.71073","MoKα","","0.2005","0.0623","","","0.0952","0.1258","","","","","","0.966","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241257","7.271","0.003","41.901","0.015","5.952","0.002","90","","90","","90","","1813.3","1.2","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2-{(<i>R</i>)-[1-(4-Bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol","","- C21 H18 Br N3 O -","- C21 H18 Br N3 O -","- C84 H72 Br4 N12 O4 -","4","1","CV5499","Moriwaki, Ryoji; Akitsu, Takashiro","Crystal structure of 2-{(<i>R</i>)-[1-(4-bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol, a chiral photochromic Schiff base","Acta Crystallographica Section E","2015","71","11","o886","o887","10.1107/S2056989015019866","","","0.71073","MoKα","","0.0307","0.026","","","0.046","0.0467","","","","","","1.012","","","","has coordinates,has Fobs","169847","2020-10-21","18:00:00",""
"2241258","18.481","0.0006","6.1674","0.0002","19.2366","0.0012","90","","109.902","0.005","90","","2061.63","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","1","","Golovanov, Alexander A.; Vologzhanina, Anna V.; Voronova, Evgeniya D.; Bekin, Vadim V.; Naumov, Sergey V.","Crystal structure of (<i>E</i>)-1-(2,4-dinitrophenyl)-2-[(<i>E</i>)-5-phenyl-1-(<i>p</i>-tolyl)pent-2-en-4-yn-1-ylidene]hydrazine","Acta Crystallographica Section E","2015","71","11","o846","o847","10.1107/S2056989015019301","","","1.54178","CuKα","","0.1359","0.0907","","","0.2373","0.2833","","","","","","1.031","","","","has coordinates,has Fobs","169848","2020-10-21","18:00:00",""
"2241259","13.4419","0.0007","7.4576","0.0004","17.7662","0.0009","90","","90","","90","","1780.96","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[[4-(2-aminoethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^4^](azido-κ<i>N</i>^1^)copper(II)]","","- C12 H18 Cu2 N12 O4 -","- C12 H18 Cu2 N12 O4 -","- C48 H72 Cu8 N48 O16 -","4","0.5","ZL2645","Liu, Chen; Abboud, Khalil A.","Crystal structures of μ-oxalato-bis[azido(histamine)copper(II)] and μ-oxalato-bis[(dicyanamido)(histamine)copper(II)]","Acta Crystallographica Section E","2015","71","11","1379","1383","10.1107/S2056989015019908","","","0.71073","MoKα","","0.031","0.0256","","","0.0674","0.0695","","","","","","1.076","","","","has coordinates,has Fobs","169849","2020-10-21","18:00:00",""
"2241260","9.6816","0.0007","14.7236","0.0011","7.4604","0.0006","90","","90.112","0.001","90","","1063.46","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[[4-(2-aminoethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^4^](dicyanamido-κ<i>N</i>^1^)copper(II)]","","- C16 H18 Cu2 N12 O4 -","- C15.996 H17.988 Cu2 N12 O4 -","- C31.992 H35.976 Cu4 N24 O8 -","2","0.5","ZL2645","Liu, Chen; Abboud, Khalil A.","Crystal structures of μ-oxalato-bis[azido(histamine)copper(II)] and μ-oxalato-bis[(dicyanamido)(histamine)copper(II)]","Acta Crystallographica Section E","2015","71","11","1379","1383","10.1107/S2056989015019908","","","0.71073","MoKα","","0.0364","0.0338","","","0.0944","0.0956","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","169849","2020-10-21","18:00:00",""
"2241261","18.8408","0.0007","20.2263","0.0008","6.7923","0.0003","90","","90","","90","","2588.41","0.18","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-Butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide","","- C24 H35 Cl N4 O5 -","- C24 H35 Cl N4 O5 -","- C96 H140 Cl4 N16 O20 -","4","1","PK2566","Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A.","Crystal structure and absolute configuration of (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-{(<i>S</i>)-2-[(<i>S</i>)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2015","71","11","1401","1407","10.1107/S2056989015020046","","","0.71073","MoKα","","0.0407","0.0351","","","0.0819","0.0854","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241262","6.4341","0.0007","20.28","0.002","11.0377","0.0012","90","","105.248","0.001","90","","1389.5","0.3","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-Butyl-2-{(<i>S</i>)-2-[(<i>S</i>)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","","- C27 H39 Cl N4 O5 -","- C27 H39 Cl N4 O5 -","- C54 H78 Cl2 N8 O10 -","2","1","","Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A.","Crystal structure and absolute configuration of (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-{(<i>S</i>)-2-[(<i>S</i>)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2015","71","11","1401","1407","10.1107/S2056989015020046","","","0.71073","MoKα","","0.0357","0.0323","","","0.0799","0.0824","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2241263","13.0401","0.0005","14.9139","0.0006","13.7161","0.0005","90","","112.603","0.002","90","","2462.6","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3'-(1<i>H</i>-Indole-3-carbonyl)-1'-methyl-2-oxo-4'-(4-oxo-4<i>H</i>-chromen-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C31 H22 N4 O4 -","- C31 H22 N4 O4 -","- C124 H88 N16 O16 -","4","1","SU5215","Savithri, M. P.; Raja, R.; Kathirvelan, D.; Reddy, B. S. R.; SubbiahPandi, A.","Crystal structure of 3'-(1<i>H</i>-indole-3-carbonyl)-1'-methyl-2-oxo-4'-(4-oxo-4<i>H</i>-chromen-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","Acta Crystallographica Section E","2015","71","11","o898","o899","10.1107/S2056989015020174","","","0.71073","MoKα","","0.0697","0.0487","","","0.1208","0.1323","","","","","","1.042","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241264","24.312","0.004","6.1628","0.001","7.9654","0.0011","90","","90","","90","","1193.5","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(4-Chlorophenyl)(4-hydroxypiperidin-1-yl)methanone‒(4-chlorophenyl)(piperidin-1-yl)methanone (0.75/0.25)","","- C12 H14 Cl N O1.75 -","- C12 H14 Cl N O1.75 -","- C48 H56 Cl4 N4 O7 -","4","1","","Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.","Crystal structure of the adduct (4-chlorophenyl)(4-hydroxypiperidin-1-yl)methanone‒(4-chlorophenyl)(piperidin-1-yl)methanone (0.75/0.25)","Acta Crystallographica Section E","2015","71","11","o896","o897","10.1107/S2056989015020265","","","0.71073","MoKα","","0.0856","0.0476","","","0.1188","0.1442","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","169987","2020-10-21","18:00:00",""
"2241265","19.1141","0.0005","16.7537","0.0004","11.0053","0.0002","90","","98.803","0.001","90","","3482.73","0.14","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris[4-(dimethylamino)pyridinium] tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III) tetrahydrate","","- C27 H41 Cr N6 O16 -","- C27 H41 Cr N6 O16 -","- C108 H164 Cr4 N24 O64 -","4","0.5","WM5230","Makon ma Houga, Noé; Capet, Frédéric; Nenwa, Justin; Bebga, Gouet; Foulon, Michel","Crystal structure of tris[4-(dimethylamino)pyridinium] tris(oxalato-κ^2^<i>O</i>,<i>O</i>')chromate(III) tetrahydrate","Acta Crystallographica Section E","2015","71","11","1408","1410","10.1107/S2056989015020113","","","0.71073","MoKα","","0.0605","0.038","","","0.1039","0.12","","","","","","1.027","","","","has coordinates,has Fobs","169988","2020-10-21","18:00:00",""
"2241266","12.3282","0.0004","5.8935","0.0002","18.9202","0.0007","90","","103.591","0.002","90","","1336.18","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methylpiperazin-1-yl)quinoline-3-carbaldehyde","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C60 H68 N12 O4 -","4","1","GK2647","Nivedita Desai, R.; Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Aruna Kumar, D. B.","Crystal structure of 2-(4-methylpiperazin-1-yl)quinoline-3-carbaldehyde","Acta Crystallographica Section E","2015","71","11","o900","o901","10.1107/S2056989015020186","","","1.54178","CuKα","","0.0605","0.0542","","","0.1539","0.1623","","","","","","1.064","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241267","9.6498","0.0012","9.861","0.0012","10.8812","0.0013","87.626","0.001","79.331","0.001","76.022","0.001","987.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","<i>rac</i>-3-[2,3-Bis(phenylsulfanyl)-3<i>H</i>-indol-3-yl]propanoic acid","","- C23 H19 N O2 S2 -","- C23 H19 N O2 S2 -","- C46 H38 N2 O4 S4 -","2","1","SU5230","Noland, Wayland E.; Brown, Christopher D.; Bisel, Amanda M.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structure of <i>rac</i>-3-[2,3-bis(phenylsulfanyl)-3<i>H</i>-indol-3-yl]propanoic acid","Acta Crystallographica Section E","2015","71","11","1414","1417","10.1107/S2056989015020241","","","0.71073","MoKα","","0.0552","0.0383","","","0.0834","0.092","","","","","","1.056","","","","has coordinates,has Fobs","169990","2020-10-21","18:00:00",""
"2241268","9.0224","0.0007","15.4581","0.001","15.1347","0.001","90","","106.349","0.002","90","","2025.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Nitrophenyl)-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","","- C23 H18 N2 O5 S -","- C23 H18 N2 O5 S -","- C92 H72 N8 O20 S4 -","4","1","HB7524","Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G.","Crystal structure of 3-(2-nitrophenyl)-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","Acta Crystallographica Section E","2015","71","11","o892","o893","10.1107/S2056989015020162","","","0.71073","MoKα","","0.1029","0.0584","","","0.1209","0.1442","","","","","","1.087","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241269","18.571","0.0005","19.2164","0.0007","18.6107","0.0005","90","","119.28","0.002","90","","5793","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-ethoxycarbonyl-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium tetraphenylborate","","- C34 H40 B N3 O2 -","- C34 H40 B N3 O2 -","- C272 H320 B8 N24 O16 -","8","2","ZL2648","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of 2-dimethylamino-1-ethoxycarbonyl-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium tetraphenylborate","Acta Crystallographica Section E","2015","71","11","o894","o895","10.1107/S2056989015020034","","","0.71073","MoKα","","0.1035","0.0594","","","0.1064","0.1188","","","","","","1.035","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241270","9.3679","0.0004","9.3679","0.0004","18.3089","0.0018","90","","90","","120","","1391.48","0.16","100","2","100","2","","","","","","","","5","R -3","-R 3","148","Hexaamminecobalt(II) bistetracarbonylcobaltate(-I)","Hexaamminecobalt(II) bis[tetracarbonylcobaltate(-I)]","","- C8 H18 Co3 N6 O8 -","- C8 H18 Co3 N6 O8 -","- C24 H54 Co9 N18 O24 -","3","","WM5229","Müller, Thomas G.; Kraus, Florian","Crystal structure of [Co(NH~3~)~6~][Co(CO)~4~]~2~","Acta Crystallographica Section E","2015","71","11","1418","1420","10.1107/S2056989015020290","","","0.71073","MoKα","","0.0378","0.0336","","","0.0861","0.0895","","","","","","1.075","","","","has coordinates,has Fobs","169993","2020-10-21","18:00:00",""
"2241271","11.9496","0.0006","13.6692","0.0006","14.3909","0.0007","72.018","0.002","69.051","0.002","89.558","0.002","2074.03","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[5-Butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)","","- C48 H60 N4 Ni O2 -","- C48 H60 N4 Ni O2 -","- C96 H120 N8 Ni2 O4 -","2","1","","Flanagan, Keith J.; Mothi, Ebrahim M.; Kötzner, Lisa; Senge, Mathias O.","Crystal structure of [5-<i>n</i>-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)","Acta Crystallographica Section E","2015","71","11","1397","1400","10.1107/S2056989015020058","","","0.71073","MoKα","","0.0909","0.0436","","","0.0785","0.0881","","","","","","0.923","","","","has coordinates,has disorder,has Fobs","169994","2020-10-21","18:00:00",""
"2241272","6.4388","0.0008","23.482","0.003","14.572","0.003","90","","100.501","0.0019","90","","2166.3","0.6","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-({(1<i>E</i>,2<i>E</i>)-3-[3-(4-Fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]allylidene}amino)-5-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C23 H22 F N5 S -","- C23 H22 F N5 S -","- C92 H88 F4 N20 S4 -","4","1","SU5226","Kulkarni, Ajaykumar D.; Rahman, Md. Lutfor; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of 4-({(1<i>E</i>,2<i>E</i>)-3-[3-(4-fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]allylidene}amino)-5-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","11","1411","1413","10.1107/S2056989015020101","","","0.71073","MoKα","","0.0768","0.0461","","","0.1113","0.1272","","","","","","1.037","","","","has coordinates,has Fobs","169995","2020-10-21","18:00:00",""
"2241273","29.749","0.002","12.5171","0.0009","15.3565","0.0012","90","","92.969","0.005","90","","5710.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{1-[(<i>E</i>)-(2-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>'}copper(II)","","- C34 H26 Cu N4 O4 -","- C34 H26 Cu N4 O4 -","- C272 H208 Cu8 N32 O32 -","8","2","","Chetioui, Souheyla; Hamdouni, Noudjoud; Rouag, Djamil-Azzeddine; Bouaoud, Salah Eddine; Merazig, Hocine","Crystal structure of bis{1-[(<i>E</i>)-(2-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>'}copper(II) containing an unknown solvate","Acta Crystallographica Section E","2015","71","11","m207","m208","10.1107/S2056989015019817","","","0.71073","MoKα","","0.1969","0.0736","","","0.1351","0.168","","","","","","1.011","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241274","5.0464","0.0004","9.9752","0.0008","21.4701","0.0017","90","","90","","90","","1080.78","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Benzenesulfonamido-3-hydroxypropanoic acid","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C36 H44 N4 O20 S4 -","4","1","HB7530","Jabeen, Nabila; Mushtaq, Misbah; Danish, Muhammad; Tahir, Muhammad Nawaz; Raza, Muhammad Asam","Crystal structure of 2-benzenesulfonamido-3-hydroxypropanoic acid","Acta Crystallographica Section E","2015","71","11","o902","o903","10.1107/S2056989015020149","","","0.71073","MoKα","","0.0532","0.0419","","","0.0878","0.0934","","","","","","1.03","","","","has coordinates,has Fobs","169997","2020-10-21","18:00:00",""
"2241275","4.7818","0.001","16.26","0.003","21.948","0.005","90","","95.933","0.003","90","","1697.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-{2-[(1<i>Z</i>)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate","","- C19 H17 N O7 -","- C19 H17 N O7 -","- C76 H68 N4 O28 -","4","1","QM2113","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Ahmed, Eman A.; Albayati, Mustafa R.","Crystal structure of ethyl 2-{2-[(1<i>Z</i>)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate","Acta Crystallographica Section E","2015","71","12","o917","o918","10.1107/S2056989015020794","","","0.71073","MoKα","","0.1769","0.0721","","","0.1481","0.1936","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","170161","2020-10-21","18:00:00",""
"2241276","9.0332","0.0005","10.9363","0.0006","12.6194","0.0006","89.015","0.004","72.105","0.005","74.814","0.005","1142.21","0.11","200","1","200","1","","","","","","","","5","P -1","-P 1","2","erbium(III) 4-aminobenzoate trihydrate","Bis(μ~2~-4-aminobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')diaquaerbium(III)] dihydrate","","- C42 H48 Er2 N6 O18 -","- C42 H48 Er2 N6 O18 -","- C42 H48 Er2 N6 O18 -","1","0.5","WM5228","Smith, Graham; Lynch, Daniel E.","Crystal structures of two erbium(III) complexes with 4-aminobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section E","2015","71","12","1457","1461","10.1107/S2056989015020319","","","0.71073","MoKα","","0.033","0.0286","","","0.0552","0.0584","","","","","","1.053","","","","has coordinates,has Fobs","170162","2020-10-21","18:00:00",""
"2241277","8.2408","0.0003","12.404","0.0008","15.3409","0.001","111.443","0.006","98.063","0.004","96.684","0.004","1421.04","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","erbium 4-chloro-3-nitrobenzoate dimethyl sulfoxide","Poly[hexakis(μ~2~-4-chloro-3-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis(dimethyl sulfoxide-κ<i>O</i>)dierbium(III)]","","- C46 H30 Cl6 Er2 N6 O26 S2 -","- C46 H30 Cl6 Er2 N6 O26 S2 -","- C46 H30 Cl6 Er2 N6 O26 S2 -","1","0.5","WM5228","Smith, Graham; Lynch, Daniel E.","Crystal structures of two erbium(III) complexes with 4-aminobenzoic acid and 4-chloro-3-nitrobenzoic acid","Acta Crystallographica Section E","2015","71","12","1457","1461","10.1107/S2056989015020319","","","0.71073","MoKα","","0.0761","0.0666","","","0.1722","0.1813","","","","","","1.057","","","","has coordinates,has Fobs","170162","2020-10-21","18:00:00",""
"2241278","20.4224","0.0009","10.195","0.0004","27.2349","0.0011","90","","102.947","0.001","90","","5526.3","0.4","99","2","99","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-aqua-μ-(pyrazine <i>N</i>,<i>N</i>'-dioxide)-κ^2^<i>O</i>:<i>O</i>-bis(diaquasodium) tetraphenylborate pyrazine <i>N</i>,<i>N</i>'-dioxide monosolvate dihydrate","","- C56 H64 B2 N4 Na2 O12 -","- C56 H64 B2 N4 Na2 O12 -","- C224 H256 B8 N16 Na8 O48 -","4","0.5","WM5232","Boron, Elaine P.; Carter, Kelsey K.; Knaust, Jacqueline M.","Crystal structure of di-μ-aqua-μ-(pyrazine <i>N</i>,<i>N</i>'-dioxide)-κ^2^<i>O</i>:<i>O</i>-bis(diaquasodium) tetraphenylborate dihydrate pyrazine <i>N</i>,<i>N</i>'-dioxide monosolvate","Acta Crystallographica Section E","2015","71","12","1467","1470","10.1107/S205698901502071X","","","0.71073","MoKα","","0.0629","0.0515","","","0.1301","0.1395","","","","","","1.039","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241279","9.4918","0.0007","13.2348","0.0012","14.6691","0.0012","90","","90","","90","","1842.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-Isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide","","- C17 H24 N2 O3 S -","- C17 H24 N2 O3 S -","- C68 H96 N8 O12 S4 -","4","1","","Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of <i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","12","o904","o905","10.1107/S2056989015020307","","","0.71073","MoKα","","0.0567","0.0424","","","0.087","0.0927","","","","","","1.053","","","","has coordinates,has Fobs","170164","2020-10-21","18:00:00",""
"2241280","9.7485","0.0006","10.493","0.0006","12.2879","0.0006","94.479","0.003","96.926","0.003","102.253","0.003","1212.36","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-[2-Phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole","","- C28 H23 N O4 S2 -","- C28 H23 N O4 S2 -","- C56 H46 N2 O8 S4 -","2","1","HB7517","Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G.","Crystal structure of 2-[2-phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2015","71","12","o910","o911","10.1107/S2056989015019428","","","0.71073","MoKα","","0.076","0.0487","","","0.0912","0.1093","","","","","","1.07","","","","has coordinates,has Fobs","170165","2020-10-21","18:00:00",""
"2241281","9.1878","0.0013","11.0083","0.0016","12.9851","0.0018","99.526","0.006","104.963","0.013","113.202","0.019","1112.1","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Fluorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H9 F N4 S -","- C10 H9 F N4 S -","- C40 H36 F4 N16 S4 -","4","2","HB7528","Manjula, P. S.; Sarojini, B. K.; Narayana, B.; Byrappa, K.; Madan Kumar, S.","Crystal structure of 4-[(<i>E</i>)-(4-fluorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","12","o912","o913","10.1107/S2056989015020125","","","0.71075","MoKα","","0.127","0.0676","","","0.1695","0.2409","","","","","","1.141","","","","has coordinates,has Fobs","170166","2020-10-21","18:00:00",""
"2241282","6.6833","0.0005","12.2817","0.001","14.6134","0.0012","90","","100.538","0.0016","90","","1179.27","0.16","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","brocr01","Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[bromidorhenium(III)]","","- C16 H28 Br2 O8 Re2 -","- C16 H28 Br2 O8 Re2 -","- C32 H56 Br4 O16 Re4 -","2","0.5","PJ2025","Reed, Carly R.; Brennessel, William W.","The crystal structures of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[bromidorhenium(III)] and tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)] acetonitrile disolvate","Acta Crystallographica Section E","2015","71","12","1480","1484","10.1107/S2056989015020563","","","0.71073","MoKα","","0.0288","0.0213","","","0.0447","0.0465","","","","","","1.037","","","","has coordinates,has Fobs","170167","2020-10-21","18:00:00",""
"2241283","8.5589","0.0013","17.097","0.003","10.0494","0.0015","90","","105.83","0.003","90","","1414.8","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","brocr02","Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)]","","- C20 H34 Cl2 N2 O8 Re2 -","- C20 H34 Cl2 N2 O8 Re2 -","- C40 H68 Cl4 N4 O16 Re4 -","2","0.5","PJ2025","Reed, Carly R.; Brennessel, William W.","The crystal structures of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[bromidorhenium(III)] and tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)] acetonitrile disolvate","Acta Crystallographica Section E","2015","71","12","1480","1484","10.1107/S2056989015020563","","","0.71073","MoKα","","0.0272","0.021","","","0.0387","0.04","","","","","","1.151","","","","has coordinates,has Fobs","170167","2020-10-21","18:00:00",""
"2241284","13.3979","0.0008","7.286","0.0004","12.5284","0.0008","90","","97.712","0.003","90","","1211.92","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Ethoxyethylidene)dimethylazanium ethyl sulfate","","- C8 H19 N O5 S -","- C8 H19 N O5 S -","- C32 H76 N4 O20 S4 -","4","1","HB7521","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","Crystal structure of (ethoxyethylidene)dimethylazanium ethyl sulfate","Acta Crystallographica Section E","2015","71","12","o916","","10.1107/S2056989015020678","","","0.71073","MoKα","","0.041","0.032","","","0.0853","0.0908","","","","","","1.046","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241285","11.2759","0.0003","7.6073","0.0002","19.5596","0.0005","90","","97.313","0.001","90","","1664.16","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene","","- C20 H12 S4 -","- C20 H12 S4 -","- C80 H48 S16 -","4","1","BG2573","Ren, Yi; Lee, Semin; Bertke, Jeffery A.; Moore, Jeffrey S.","Crystal structure of 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene","Acta Crystallographica Section E","2015","71","12","1475","1479","10.1107/S2056989015020800","","","1.54178","CuKα","","0.0295","0.0254","","","0.0593","0.0614","","","","","","1.08","","","","has coordinates,has Fobs","170169","2020-10-21","18:00:00",""
"2241286","7.5335","0.0012","43.246","0.006","9.3069","0.0011","90","","90.486","0.015","90","","3032","0.7","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-(+)-Dichlorido[1-phenyl-<i>N</i>-(pyridin-2-ylmethylidene)ethylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","","- C14 H14 Cl2 Hg N2 -","- C14 H14 Cl2 Hg N2 -","- C112 H112 Cl16 Hg8 N16 -","8","4","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0536","0.0416","","","0.0933","0.1008","","","","","","1.055","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241287","7.6194","0.0003","9.2982","0.0004","12.2341","0.0008","94.597","0.004","103.178","0.004","94.222","0.003","837.43","0.08","294.2","0.8","294.2","0.8","","","","","","","","5","P 1","P 1","1","","(<i>S</i>)-(+)-Dichlorido[1-(4-methylphenyl)-<i>N</i>-(pyridin-2-ylmethylidene)ethylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","","- C15 H16 Cl2 Hg N2 -","- C15 H16 Cl2 Hg N2 -","- C30 H32 Cl4 Hg2 N4 -","2","2","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0653","0.0361","","","0.0504","0.0586","","","","","","0.981","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241288","10.216","0.003","7.392","0.002","23.352","0.006","90","","97.459","0.014","90","","1748.5","0.8","298","1","298","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-Dichlorido[<i>N</i>-(pyridin-2-ylmethylidene)isopinocampheylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","","- C16 H22 Cl2 Hg N2 -","- C16 H22 Cl2 Hg N2 -","- C64 H88 Cl8 Hg4 N8 -","4","2","RZ5175","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René","Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand","Acta Crystallographica Section E","2015","71","12","1462","1466","10.1107/S2056989015020368","","","0.71073","MoKα","","0.0911","0.0573","","","0.1365","0.1663","","","","","","1.109","","","","has coordinates,has Fobs","170170","2020-10-21","18:00:00",""
"2241289","7.358","0.002","10.447","0.003","15.744","0.004","77.61","0.004","78.927","0.004","69.938","0.004","1101","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","IN492_11mz048","(6,6'-Dihydroxybipyridine-2κ^2^<i>N</i>,<i>N</i>')[μ-6-(6-hydroxypyridin-2-yl)pyridin-2-olato-1:2κ^3^<i>N</i>,<i>N</i>':<i>O</i>^2^](μ-hydroxido-1:2κ^2^<i>O</i>:<i>O</i>')(μ-nitrato-1:2κ^2^<i>O</i>:<i>O</i>')(nitrato-1κ<i>O</i>)dicopper(II)","","- C20 H16 Cu2 N6 O11 -","- C20 H16 Cu2 N6 O11 -","- C40 H32 Cu4 N12 O22 -","2","1","LH5780","Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T.","Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes","Acta Crystallographica Section E","2015","71","12","1447","1453","10.1107/S205698901502037X","","","0.71073","MoKα","","0.0918","0.0519","","","0.1093","0.1254","","","","","","1.038","","","","has coordinates,has Fobs","170171","2020-10-21","18:00:00",""
"2241290","10.2135","0.0007","13.3707","0.0008","14.0565","0.001","64.591","0.004","75.659","0.005","82.262","0.005","1679","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu3(C10H8N2O2)2(C10H6N2O2)(CH3OH)(OH)2(NO3)2]2","Bis(μ~3~-bipyridine-2,2'-diolato-κ^3^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')tetrakis(6,6'-dihydroxybipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(methanol-κ<i>O</i>)tetrakis(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')hexacopper(II)","","- C62 H56 Cu6 N16 O30 -","- C62 H56 Cu6 N16 O30 -","- C62 H56 Cu6 N16 O30 -","1","0.5","LH5780","Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T.","Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes","Acta Crystallographica Section E","2015","71","12","1447","1453","10.1107/S205698901502037X","","","0.71073","MoKα","","0.079","0.0436","","","0.1043","0.1185","","","","","","1","","","","has coordinates,has Fobs","170171","2020-10-21","18:00:00",""
"2241291","7.0909","0.0006","9.212","0.0008","10.7056","0.001","90.989","0.003","97.098","0.003","101.909","0.003","678.35","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Dibromo-2',5'-dimethoxy-[1,1'-biphenyl]-2,5-dione","","- C14 H10 Br2 O4 -","- C14 H10 Br2 O4 -","- C28 H20 Br4 O8 -","2","1","HB7514","Meany, Joseph E.; Kelley, Steven P.; Metzger, Robert M.; Rogers, Robin D.; Woski, Stephen A.","Crystal structure of 4,4'-dibromo-2',5'-dimethoxy-[1,1'-biphenyl]-2,5-dione (BrHBQBr)","Acta Crystallographica Section E","2015","71","12","1454","1456","10.1107/S2056989015020472","","","0.71073","MoKα","","0.0533","0.0427","","","0.1376","0.1481","","","","","","1.037","","","","has coordinates,has Fobs","170172","2020-10-21","18:00:00",""
"2241292","10.592","0.004","17.922","0.005","11.161","0.004","90","","99.25","0.02","90","","2091.1","1.2","100","0.14","100","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(piperidinium) hydrogen sulfate sulfate","Tris(piperidinium) hydrogen sulfate sulfate","","- C15 H37 N3 O8 S2 -","- C15 H37 N3 O8 S2 -","- C60 H148 N12 O32 S8 -","4","1","ZS2349","Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam","Crystal structure of tris(piperidinium) hydrogen sulfate sulfate","Acta Crystallographica Section E","2015","71","12","1444","1446","10.1107/S2056989015020538","","","0.71073","MoKα","","0.0541","0.0351","","","0.0756","0.0831","","","","","","1.031","","","","has coordinates,has Fobs","170173","2020-10-21","18:00:00",""
"2241293","13.9664","0.0006","6.43","0.0003","19.6155","0.0009","90","","107.227","0.001","90","","1682.52","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1-Acetyl-3-chloro-1<i>H</i>-indazol-6-yl)-4-methoxybenzenesulfonamide","","- C16 H14 Cl N3 O4 S -","- C16 H14 Cl N3 O4 S -","- C64 H56 Cl4 N12 O16 S4 -","4","1","TK5402","Hakmaoui, Yassine; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>-(1-acetyl-3-chloro-1<i>H</i>-indazol-6-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2015","71","12","o914","o915","10.1107/S2056989015020605","","","0.71073","MoKα","","0.0576","0.042","","","0.1203","0.13","","","","","","1.088","","","","has coordinates,has Fobs","170175","2020-10-21","18:00:00",""
"2241294","16.26","0.005","7.707","0.005","22.325","0.005","90","","104.268","0.005","90","","2711","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^2^<i>N</i>^2^,<i>O</i>}copper(II))","","- C68 H52 Cu2 N8 O8 -","- C68 H52 Cu2 N8 O8 -","- C136 H104 Cu4 N16 O16 -","2","0.5","IS5425","Chetioui, Souheyla; Hamdouni, Noudjoud; Bochet, Christian G.; Djukic, Jean-Pierre; Bailly, Corinne","Crystal structure of bis{μ-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^2^<i>N</i>^2^,<i>O</i>}copper(II))","Acta Crystallographica Section E","2015","71","12","m211","m212","10.1107/S2056989015020824","","","0.71073","MoKα","","0.0633","0.0395","","","0.0816","0.0906","","","","","","1.018","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241295","18.758","0.003","15.769","0.002","27.157","0.004","90","","90","","90","","8033","2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","","- C42 H40 Cl4 Co O2 P2 -","- C42 H40 Cl4 Co O2 P2 -","- C336 H320 Cl32 Co8 O16 P16 -","8","1","WM5224","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","12","m209","m210","10.1107/S2056989015019180","","","0.71073","MoKα","","0.0509","0.0384","","","0.09","0.0972","","","","","","1.061","","","","has coordinates,has Fobs","170177","2020-10-21","18:00:00",""
"2241296","7.068","0.0007","7.677","0.0008","9.9977","0.001","68.119","0.002","86.049","0.001","83.658","0.001","500.1","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(5<i>Z</i>)-5-(5-Bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H6 Br N O3 S -","- C10 H6 Br N O3 S -","- C20 H12 Br2 N2 O6 S2 -","2","1","HB7533","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2015","71","12","o919","o920","10.1107/S2056989015020654","","","0.71073","MoKα","","0.0407","0.0332","","","0.0829","0.085","","","","","","1.006","","","","has coordinates,has Fobs","170178","2020-10-21","18:00:00",""
"2241297","8.3306","0.0003","8.7122","0.0002","12.4307","0.0004","98.683","0.003","97.737","0.003","99.398","0.003","868.07","0.05","130","2","130","1","","","","","","","","5","P -1","-P 1","2","","(2',3,6'-Trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate","","- C16 H16 B Cl3 O3 -","- C16 H16 B Cl3 O3 -","- C32 H32 B2 Cl6 O6 -","2","1","SJ5482","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz","Crystal structure of (2',3,6'-trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate","Acta Crystallographica Section E","2015","71","12","1471","1474","10.1107/S205698901502054X","","","0.71073","MoKα","","0.0426","0.0335","","","0.0781","0.0847","","","","","","1.047","","","","has coordinates,has Fobs","170179","2020-10-21","18:00:00",""
"2241298","6.828","0.003","11.837","0.005","24.079","0.011","90","","91.902","0.005","90","","1945.1","1.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,3-Bis(2,3-dimethylquinoxalin-6-yl)benzene","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","0.5","BG2571","Diesendruck, Charles E.; Rubin, Gabrielle; Bertke, Jeffery A.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structure of 1,3-bis(2,3-dimethylquinoxalin-6-yl)benzene","Acta Crystallographica Section E","2015","71","12","1429","1432","10.1107/S2056989015020435","","","0.71073","MoKα","","0.0765","0.0473","","","0.1201","0.1384","","","","","","1.041","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241299","8.2824","0.0002","8.7656","0.0002","10.5703","0.0003","79.5417","0.0007","76.5159","0.0007","75.5022","0.0006","716.28","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate","","- C10 H20 F3 N O4 S -","- C10 H20 F3 N O4 S -","- C20 H40 F6 N2 O8 S2 -","2","1","","Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structure of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium trifluoromethanesulfonate","Acta Crystallographica Section E","2015","71","12","o921","","10.1107/S2056989015020897","","","0.71073","MoKα","","0.0388","0.0335","","","0.0895","0.0942","","","","","","1.051","","","","has coordinates,has Fobs","170181","2020-10-21","18:00:00",""
"2241300","6.3114","0.0013","7.668","0.0015","8.6485","0.0018","90","","90","","90","","418.55","0.15","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Poly[(μ~2~-hydrazine)(μ~4~-phosphato)iron(III)]","","- Fe H4 N2 O4 P -","- Fe H4 N2 O4 P -","- Fe4 H16 N8 O16 P4 -","4","0.5","WM5227","David, Renald","Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine","Acta Crystallographica Section E","2015","71","12","1436","1438","10.1107/S2056989015020010","","","0.71073","MoKα","","0.0339","0.0197","","","0.0251","0.0268","","","","","","1.46","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2241301","14.5995","0.0002","14.8094","0.0002","15.7705","0.0003","68.373","0.001","66.837","0.001","67.558","0.001","2800.13","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2''-Bis(2,7-dichloro-9-hydroxy-9<i>H</i>-fluoren-9-yl)-1,1':4',1''-terphenyl triethylamine trisolvate","","- C62 H71 Cl4 N3 O2 -","- C62 H71 Cl4 N3 O2 -","- C124 H142 Cl8 N6 O4 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 2,2''-bis(2,7-dichloro-9-hydroxy-9<i>H</i>-fluoren-9-yl)-1,1':4',1''-terphenyl triethylamine trisolvate","Acta Crystallographica Section E","2015","71","12","1439","1443","10.1107/S2056989015018824","","","0.71073","MoKα","","0.0524","0.04","","","0.1029","0.1131","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","170185","2020-10-21","18:00:00",""
"2241302","6.273","0.003","8.313","0.004","10.49","0.005","83.833","0.006","74.405","0.007","81.652","0.008","520","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,1'-Bis(2-methoxycarbonyl-2-methylpropyl)ferrocene","","- C22 H30 Fe O4 -","- C22 H30 Fe O4 -","- C22 H30 Fe O4 -","1","0.5","","Guo, Yan-Feng; Wang, Jian-Jun; Xu, Wei-Juan; Sun, Dong-Hao; Gao, Qiang","Crystal structure of 1,1'-bis(2-methoxycarbonyl-2-methylpropyl)ferrocene","Acta Crystallographica Section E","2015","71","12","m213","m214","10.1107/S2056989015020642","","","0.71073","MoKα","","0.0313","0.0288","","","0.0727","0.0743","","","","","","1.045","","","","has coordinates,has Fobs","170186","2020-10-21","18:00:00",""
"2241303","18.0358","0.0016","11.3851","0.0008","9.4815","0.0009","90","","104.56","0.003","90","","1884.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DPIM","2-{[(<i>E</i>)-(4-Anilinophenyl)iminiumyl]methyl}-5-(diethylamino)phenolate","","- C23 H25 N3 O -","- C23 H25 N3 O -","- C92 H100 N12 O4 -","4","1","LH5793","Faizi, Md. Serajul Haque; Ohui, Kateryna A.; Golenya, Irina A.","Crystal structure of 2-{[(<i>E</i>)-(4-anilinophenyl)iminiumyl]methyl}-5-(diethylamino)phenolate","Acta Crystallographica Section E","2015","71","12","1433","1435","10.1107/S2056989015019490","","","0.71073","MoKα","","0.0993","0.0536","","","0.1143","0.1375","","","","","","1.002","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241304","7.3606","0.0004","8.8342","0.0006","11.3134","0.0007","109.736","0.002","95.38","0.002","96.502","0.002","681.1","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin- 4-one","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C28 H26 N2 O2 S4 -","2","1","IM2472","El Ajlaoui, Rahhal; Rakib, El Mostapha; Chigr, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-3-allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2015","71","12","o906","o907","10.1107/S2056989015020460","","","0.71073","MoKα","","0.0579","0.0432","","","0.1191","0.1328","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","170188","2020-10-21","18:00:00",""
"2241305","7.4852","0.0006","9.8588","0.0009","11.6115","0.001","111.792","0.0017","96.7983","0.0018","92.8848","0.0017","785.9","0.12","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","3,5-Bis[(<i>E</i>)-3-hydroxybenzylidene]-1-methylpiperidin-4-one","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C40 H38 N2 O6 -","2","1","SU5232","Eryanti, Yum; Zamri, Adel; Herlina, Tati; Supratman, Unang; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Crystal structures of 3,5-bis[(<i>E</i>)-3-hydroxybenzylidene]-1-methylpiperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-methylpiperidin-4-one","Acta Crystallographica Section E","2015","71","12","1488","1492","10.1107/S2056989015020976","","","0.71073","MoKα","","0.0441","0.0388","","","0.111","0.1166","","","","","","1.041","","","","has coordinates,has Fobs","170286","2020-10-21","18:00:00",""
"2241306","7.54","0.003","10.623","0.004","21.119","0.007","90","","98.671","0.005","90","","1672.2","1.1","100","2","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Bis[(<i>E</i>)-2-chlorobenzylidene]-1-methylpiperidin-4-one","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","SU5232","Eryanti, Yum; Zamri, Adel; Herlina, Tati; Supratman, Unang; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Crystal structures of 3,5-bis[(<i>E</i>)-3-hydroxybenzylidene]-1-methylpiperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-methylpiperidin-4-one","Acta Crystallographica Section E","2015","71","12","1488","1492","10.1107/S2056989015020976","","","0.71073","MoKα","","0.0901","0.0766","","","0.1863","0.1918","","","","","","1.18","","","","has coordinates,has Fobs","170286","2020-10-21","18:00:00",""
"2241307","18.8585","0.0009","4.7884","0.0002","14.4285","0.0006","90","","90","","90","","1302.92","0.1","233","2","233","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-(1-Methyl-1<i>H</i>-imidazol-2-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole dihydrate","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","HB7534","Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig","Crystal structure of 1-(1-methyl-1<i>H</i>-imidazol-2-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole dihydrate","Acta Crystallographica Section E","2015","71","12","o945","o946","10.1107/S2056989015020721","","","0.71073","MoKα","","0.0612","0.0446","","","0.083","0.0877","","","","","","1.084","","","","has coordinates,has Fobs","170319","2020-10-21","18:00:00",""
"2241308","8.586","0.0004","19.9082","0.0011","7.1304","0.0004","90","","100.262","0.001","90","","1199.32","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,4-dichloroquinoline-3-carboxylate","","- C12 H9 Cl2 N O2 -","- C12 H9 Cl2 N O2 -","- C48 H36 Cl8 N4 O8 -","4","1","NK2231","Cabrera, Alberto; Miranda, Luis D.; Reyes, Héctor; Aguirre, Gerardo; Chávez, Daniel","Crystal structure of ethyl 2,4-dichloroquinoline-3-carboxylate","Acta Crystallographica Section E","2015","71","12","o939","","10.1107/S2056989015020587","","","0.71073","MoKα","","0.0422","0.0347","","","0.0891","0.0944","","","","","","1.047","","","","has coordinates,has Fobs","170320","2020-10-21","18:00:00",""
"2241309","10.008","0.002","14.447","0.003","7.136","0.0014","90","","90.16","0.03","90","","1031.8","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Borabenzene‒2,6-lutidine","","- C12 H14 B N -","- C12 H14 B N -","- C48 H56 B4 N4 -","4","0.5","HB7526","Kivijärvi, Lauri; Haukka, Matti","Crystal structure of the borabenzene‒2,6-lutidine adduct","Acta Crystallographica Section E","2015","71","12","o944","","10.1107/S2056989015020599","","","0.71073","MoKα","","0.0521","0.0438","","","0.1121","0.1196","","","","","","1.055","","","","has coordinates,has Fobs","170321","2020-10-21","18:00:00",""
"2241310","7.217","0.0005","12.9467","0.001","19.3006","0.0014","90","","90","","90","","1803.4","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,4-Dinitrophenyl)-3,5-diphenyl-1<i>H</i>-pyrazole","","- C21 H14 N4 O4 -","- C21 H14 N4 O4 -","- C84 H56 N16 O16 -","4","1","QM2114","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Mohamed, Alaa F.","Crystal structure of 1-(2,4-dinitrophenyl)-3,5-diphenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2015","71","12","o931","o932","10.1107/S2056989015021350","","","0.71073","MoKα","","0.0669","0.0421","","","0.0888","0.0964","","","","","","1.029","","","","has coordinates,has Fobs","170322","2020-10-21","18:00:00",""
"2241311","7.0285","0.0003","7.8845","0.0003","14.8151","0.0006","74.779","0.002","87.653","0.002","74.241","0.002","762.01","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(7-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C15 H14 F N O3 S2 -","- C15 H14 F N O3 S2 -","- C30 H28 F2 N2 O6 S4 -","2","1","HB7537","Anitha, B. R.; Gunaseelan, A. Thomas; Vinduvahini, M.; Kavitha, H. D.; Devarajegowda, H. C.","Crystal structure of (7-fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2015","71","12","o928","o929","10.1107/S2056989015021179","","","0.71073","MoKα","","0.2574","0.0479","","","0.0989","0.1263","","","","","","1.093","","","","has coordinates,has Fobs","170323","2020-10-21","18:00:00",""
"2241312","13.7964","0.0008","9.0798","0.0007","12.2453","0.0007","90","","114.413","0.004","90","","1396.8","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,2,2-Trichloro-1-hydroxyethyl)formamide","","- C3 H4 Cl3 N O2 -","- C3 H4 Cl3 N O2 -","- C24 H32 Cl24 N8 O16 -","8","2","HG5462","Mariyatra, Mahimaidoss Baby; Stoeckli-Evans, Helen","Crystal structure of <i>N</i>-(2,2,2-trichloro-1-hydroxyethyl)formamide","Acta Crystallographica Section E","2015","71","12","1501","1504","10.1107/S2056989015020459","","","0.71073","MoKα","","0.0327","0.0304","","","0.0768","0.0779","","","","","","1.076","","","","has coordinates,has Fobs","170324","2020-10-21","18:00:00",""
"2241313","7.7366","0.0002","7.948","0.0002","12.6539","0.0005","90.0655","0.0011","100.32","0.0011","104.063","0.0012","741.75","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","4-formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate","4-Formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate","","- C14 H7 Cl N2 O7 -","- C14 H7 Cl N2 O7 -","- C28 H14 Cl2 N4 O14 -","2","1","HG5461","Moreno-Fuquen, Rodolfo; Hernández, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.","Crystal structure of 4-formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2015","71","12","o940","","10.1107/S205698901502006X","","","0.71073","MoKα","","0.0802","0.0601","","","0.1723","0.1938","","","","","","1.027","","","","has coordinates,has Fobs","170325","2020-10-21","18:00:00",""
"2241314","7.9664","0.0007","9.2804","0.001","10.9045","0.0012","104.612","0.009","95.886","0.008","91.102","0.008","775.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-[Selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)","","- C16 H12 Cl2 O2 Se -","- C16 H12 Cl2 O2 Se -","- C32 H24 Cl4 O4 Se2 -","2","1","","Bouraoui, Hazem; Boudjada, Ali; Hamdouni, Noudjoud; Mechehoud, Youcef; Meinnel, Jean","Crystal structure of 1,1'-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)","Acta Crystallographica Section E","2015","71","12","o935","o936","10.1107/S2056989015019969","","","0.7107","MoKα","","0.1091","0.0558","","","0.1118","0.1335","","","","","","1.037","","","","has coordinates,has Fobs","170326","2020-10-21","18:00:00",""
"2241315","7.2263","0.0003","21.7442","0.0007","7.4747","0.0003","90","","110.28","0.005","90","","1101.69","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(2-hidroxy-5-methylphenyl)benzamide","<i>N</i>-(2-Hydroxy-5-methylphenyl)benzamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","HB7532","Moreno-Fuquen, Rodolfo; Mariño, Nory J.; Kennedy, Alan R.","Crystal structure of <i>N</i>-(2-hydroxy-5-methylphenyl)benzamide","Acta Crystallographica Section E","2015","71","12","o943","","10.1107/S2056989015020575","","","0.71073","MoKα","","0.053","0.043","","","0.1007","0.1093","","","","","","1.029","","","","has coordinates,has Fobs","170327","2020-10-21","18:00:00",""
"2241316","10.685","0.002","18.236","0.004","13.228","0.003","90","","90","","90","","2577.5","0.9","248","2","248","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Nitridobis(trimethylsilanolato)[1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanaminato]molybdenum(VI)","","- C12 H36 Mo N2 O2 Si4 -","- C12 H36 Mo N2 O2 Si4 -","- C48 H144 Mo4 N8 O8 Si16 -","4","0.5","XU5878","Geng, Caiwei; Hao, Xiang; Jiao, Peng","Crystal structure of nitridobis(trimethylsilanolato)[1,1,1-trimethyl-<i>N</i>-(trimethylsilyl)silanaminato]molybdenum(VI)","Acta Crystallographica Section E","2015","71","12","1497","1500","10.1107/S2056989015021192","","","0.71073","MoKα","","0.0727","0.0679","","","0.1914","0.1952","","","","","","1.188","","","","has coordinates,has Fobs","170328","2020-10-21","18:00:00",""
"2241317","6.5537","0.0003","10.5247","0.0005","11.3403","0.0005","113.682","0.001","92.969","0.002","106.61","0.002","673.96","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Benzyl-1-[(cyclohexylidene)amino]thiourea","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C28 H38 N6 S2 -","2","1","SU5234","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea","Acta Crystallographica Section E","2015","71","12","o933","o934","10.1107/S205698901502112X","","","1.54178","CuKα","","0.0351","0.0339","","","0.0845","0.0855","","","","","","1.088","","","","has coordinates,has Fobs","170329","2020-10-21","18:00:00",""
"2241318","12.8481","0.0007","15.4085","0.0006","7.6232","0.0003","90","","98.04","0.004","90","","1494.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(2-Methoxynaphthalen-1-yl)methylidene]-3-nitroaniline","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","HB7529","Bhai R., Devika; Girija, C. R.; Suresh, Shalini; Reddy, Ramakrishna","Crystal structure of (<i>E</i>)-<i>N</i>-[(2-methoxynaphthalen-1-yl)methylidene]-3-nitroaniline","Acta Crystallographica Section E","2015","71","12","o941","o942","10.1107/S2056989015020502","","","0.71073","MoKα","","0.1019","0.0548","","","0.111","0.1434","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","170330","2020-10-21","18:00:00",""
"2241319","8.1214","0.0007","12.5405","0.001","23.1875","0.0019","91.121","0.001","90.199","0.001","90.748","0.001","2360.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C108 H102 N18 O12 -","6","3","HB7540","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Mohamed, Alaa F.; Albayati, Mustafa R.","Crystal structure of 4-[(<i>E</i>)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2015","71","12","o947","o948","10.1107/S2056989015021325","","","0.71073","MoKα","","0.082","0.0458","","","0.1043","0.1148","","","","","","0.971","","","","has coordinates,has Fobs","170331","2020-10-21","18:00:00",""
"2241320","8.5078","0.0008","14.7201","0.0013","12.0019","0.001","90","","101.016","0.004","90","","1475.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,3-diazinane-2-thione-κ<i>S</i>)cadmium","","- C8 H16 Cd Cl2 N4 S2 -","- C8 H16 Cd Cl2 N4 S2 -","- C32 H64 Cd4 Cl8 N16 S8 -","4","1","","Naz, Ghazala; Tahir, Muhammad Nawaz; Ahmad, Saeed; Isab, Anvarhusein A.; Fettouhi, Mohammed","Crystal structure of dichloridobis(1,3-diazinane-2-thione-κ<i>S</i>)cadmium","Acta Crystallographica Section E","2015","71","12","1493","1496","10.1107/S205698901502109X","","","0.71073","MoKα","","0.0338","0.0287","","","0.0744","0.0773","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","170332","2020-10-21","18:00:00",""
"2241321","3.9247","0.0019","11.549","0.006","28.111","0.014","90","","90","","90","","1274.2","1.1","293","2","293","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C52 H32 Br4 Cl4 O4 S4 -","4","1","TK5406","Anitha, B. R.; Vinduvahini, M.; Ravi, A. J.; Devarajegowda, H. C.","Crystal structure of (2<i>E</i>)-1-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","12","o930","","10.1107/S2056989015021155","","","0.71073","MoKα","","0.098","0.0624","","","0.1237","0.1365","","","","","","1.1","","","","has coordinates,has Fobs","170333","2020-10-21","18:00:00",""
"2241322","13.4862","0.0008","16.9048","0.0011","13.0151","0.0008","90","","117.723","0.0015","90","","2626.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate","","- C58 H86 N4 Zr2 -","- C58 H86 N4 Zr2 -","- C116 H172 N8 Zr4 -","2","0.5","","Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","Crystal structure of bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate","Acta Crystallographica Section E","2015","71","12","m219","m220","10.1107/S2056989015021234","","","0.71073","MoKα","","0.0412","0.0352","","","0.0883","0.0944","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","170334","2020-10-21","18:00:00",""
"2241323","19.4605","0.0006","15.5108","0.0006","13.7374","0.0005","90","","90","","90","","4146.6","0.3","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Bis(4-acetylanilinium) tetrachloridocobaltate(II)","","- C16 H20 Cl4 Co N2 O2 -","- C16 H20 Cl4 Co N2 O2 -","- C128 H160 Cl32 Co8 N16 O16 -","8","0.5","","Thairiyaraja, Manickam; Elangovan, Arumugam; Shanmugam, Ramasamy; Selvaraju, Kuthambalam; Thamotharan, Subbiah","Crystal structure of bis(4-acetylanilinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","12","m221","m222","10.1107/S2056989015021404","","","0.71073","MoKα","","0.0614","0.0385","","","0.1088","0.123","","","","","","1.05","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2241324","14.5485","0.0005","8.0461","0.0003","8.0582","0.0003","90","","101.637","0.002","90","","923.89","0.06","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-Bis(iodomethyl)benzene","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","SU5235","McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim","Crystal structures of two bis(iodomethyl)benzene derivatives: similarities and differences in the crystal packing","Acta Crystallographica Section E","2015","71","12","1505","1509","10.1107/S2056989015021295","","","0.71073","MoKα","","0.0204","0.0183","","","0.0438","0.0444","","","","","","1.15","","","","has coordinates,has Fobs","170403","2020-10-21","18:00:00",""
"2241325","13.5323","0.0003","4.5464","0.0001","15.6269","0.0004","90","","95.203","0.001","90","","957.46","0.04","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(iodomethyl)benzene","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","SU5235","McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim","Crystal structures of two bis(iodomethyl)benzene derivatives: similarities and differences in the crystal packing","Acta Crystallographica Section E","2015","71","12","1505","1509","10.1107/S2056989015021295","","","0.71073","MoKα","","0.0325","0.0239","","","0.0445","0.0477","","","","","","1.064","","","","has coordinates,has Fobs","170403","2020-10-21","18:00:00",""
"2241326","14.789","0.0012","17.5387","0.0014","19.0163","0.0015","90","","112.577","0.001","90","","4554.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2-hydroxy-5-methylphenyl)-4-phenylpyridinium bromide dichloromethane hemisolvate hemihydrate","","- C25.5 H24 Br Cl N O2.5 -","- C25.5 H24 Br Cl N O2.5 -","- C204 H192 Br8 Cl8 N8 O20 -","8","2","ZS2352","Mankaev, Badma N.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.","Crystal structure of 2,6-bis(2-hydroxy-5-methylphenyl)-4-phenylpyridinium bromide dichloromethane hemisolvate hemihydrate","Acta Crystallographica Section E","2015","71","12","o953","o954","10.1107/S2056989015021386","","","0.71073","MoKα","","0.0752","0.0508","","","0.1216","0.1315","","","","","","1.062","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241327","7.97548","0.00011","16.9389","0.0003","43.0661","0.0007","90","","93.634","0.0014","90","","5806.35","0.16","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate","","- C60 H54 N3 O18 P3 -","- C60 H54 N3 O18 P3 -","- C240 H216 N12 O72 P12 -","4","1","ZQ2233","Zhu, Jing; Li, Qian; Zheng, Fu-Wei; He, Juan; Qu, Ling-Bo","Crystal structure of hexaprop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexaylhexakis(oxy)]hexabenzoate","Acta Crystallographica Section E","2015","71","12","o955","o956","10.1107/S2056989015021301","","","1.54184","CuKα","","0.075","0.0522","","","0.136","0.15","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","170405","2020-10-21","18:00:00",""
"2241328","9.3177","0.0005","9.3786","0.0006","9.5418","0.0006","78.739","0.004","78.777","0.003","73.632","0.003","775.95","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2-(thiazol-4-yl)-1<i>H</i>-benzimidazole","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C32 H34 N6 O4 S2 -","2","1","TK5404","Gueddar, Hicham; Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(thiazol-4-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2015","71","12","o951","o952","10.1107/S205698901502085X","","","0.71073","MoKα","","0.0855","0.0429","","","0.0963","0.1159","","","","","","1.025","","","","has coordinates,has Fobs","170406","2020-10-21","18:00:00",""
"2241329","15.365","0.001","27.963","0.0014","7.0816","0.0005","90","","93.59","0.03","90","","3036.6","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Triaqua(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)manganese(II) 2,5-dimethylpyrazine disolvate","","- C20 H30 Mn N8 O3 S2 -","- C20 H30 Mn N8 O3 S2 -","- C80 H120 Mn4 N32 O12 S8 -","4","0.5","TK5403","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of triaqua(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)manganese(II) 2,5-dimethylpyrazine disolvate","Acta Crystallographica Section E","2015","71","12","m223","m224","10.1107/S2056989015020769","","","0.71073","MoKα","","0.0586","0.0464","","","0.1302","0.1366","","","","","","1.065","","","","has coordinates","170407","2020-10-21","18:00:00",""
"2241330","7.7414","0.0003","26.0018","0.0007","11.1004","0.0004","90","","103.265","0.003","90","","2174.79","0.13","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(<i>N</i>-methylsalicylaldiminato-κ^2^<i>N</i>,<i>O</i>)vanadium(III)","","- C24 H24 N3 O3 V -","- C24 H24 N3 O3 V -","- C96 H96 N12 O12 V4 -","4","1","TK5408","Hilbert, Jessica; Kabus, Sven; Näther, Christian; Bensch, Wolfgang","Crystal structure of tris(<i>N</i>-methylsalicylaldiminato-κ^2^<i>N</i>,<i>O</i>)vanadium(III)","Acta Crystallographica Section E","2015","71","12","m225","","10.1107/S2056989015021453","","","0.71073","MoKα","","0.0491","0.0395","","","0.0976","0.1021","","","","","","1.073","","","","has coordinates,has Fobs","170408","2020-10-21","18:00:00",""
"2241331","7.204","0.0007","13.6544","0.0014","18.9346","0.0018","90.226","0.002","95.531","0.002","91.33","0.002","1853.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(5<i>Z</i>)-5-(2-Hydroxybenzylidene)-1,3-thiazolidine-2,4-dione","","- C10 H7 N O3 S -","- C10 H7 N O3 S -","- C80 H56 N8 O24 S8 -","8","4","IS5432","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of (5<i>Z</i>)-5-(2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2015","71","12","o965","o966","10.1107/S2056989015021908","","","0.71073","MoKα","","0.0993","0.0507","","","0.116","0.1248","","","","","","0.926","","","","has coordinates,has Fobs","170449","2020-10-21","18:00:00",""
"2241332","8.479","0.002","12.894","0.003","13.843","0.003","90","","104.156","0.01","90","","1467.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[Bis(ethylsulfanyl)methylidene]-2-hydroxy-4-methoxybenzohydrazide","","- C13 H18 N2 O3 S2 -","- C13 H18 N2 O3 S2 -","- C52 H72 N8 O12 S8 -","4","1","JJ2195","Nath, Paras; Bharty, Manoj K.; Chaurasia, Rahul; Kumari, Sanyucta; Gupta, Sushil K.","Crystal structure of <i>N</i>'-[bis(ethylsulfanyl)methylidene]-2-hydroxy-4-methoxybenzohydrazide","Acta Crystallographica Section E","2015","71","12","o967","o968","10.1107/S2056989015021271","","","0.71073","MoKα","","0.0309","0.0294","","","0.076","0.0773","","","","","","1.081","","","","has coordinates,has Fobs","170450","2020-10-21","18:00:00",""
"2241333","9.729","0.0002","12.977","0.0003","14.012","0.0002","62.958","0.001","73.756","0.002","71.654","0.001","1475.91","0.05","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","[1-(3-Ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II)","","- C34 H30 N3 Ni O2 P S -","- C34 H30 N3 Ni O2 P S -","- C68 H60 N6 Ni2 O4 P2 S2 -","2","1","FF2143","Karpagam, B.; Chakkaravarthi, G.; Rajagopal, G.","Crystal structure of [1-(3-ethoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>](triphenylphosphane-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2015","71","12","m230","m231","10.1107/S2056989015021660","","","0.71073","MoKα","","0.0405","0.0296","","","0.0743","0.0808","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","170451","2020-10-21","18:00:00",""
"2241334","11.9129","0.0005","9.6914","0.0004","27.822","0.0011","90","","90","","90","","3212.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","HB7536","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Aziz, Ahmed T. Abdel-; Albayati, Mustafa R.","Crystal structure of 3-benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","Acta Crystallographica Section E","2015","71","12","o974","o975","10.1107/S2056989015021064","","","1.54178","CuKα","","0.0398","0.0345","","","0.093","0.0979","","","","","","1.058","","","","has coordinates,has Fobs","170452","2020-10-21","18:00:00",""
"2241335","7.4425","0.0015","12.583","0.003","27.448","0.006","90","","99.31","0.03","90","","2536.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Butylsulfanyl-4,6-bis[(<i>E</i>)-4-(dimethylamino)styryl]pyrimidine","","- C28 H34 N4 S -","- C28 H34 N4 S -","- C112 H136 N16 S4 -","4","1","","Song, Jingbao; Zhou, Qiang; Wang, Aijian","Crystal structure of 2-butylsulfanyl-4,6-bis[(<i>E</i>)-4-(dimethylamino)styryl]pyrimidine","Acta Crystallographica Section E","2015","71","12","o978","","10.1107/S2056989015021441","","","0.71073","MoKα","","0.0458","0.0408","","","0.1006","0.1042","","","","","","1.068","","","","has coordinates,has Fobs","170453","2020-10-21","18:00:00",""
"2241336","10.3613","0.0003","12.3817","0.0004","16.5366","0.0006","68.727","0.003","72.094","0.003","89.892","0.003","1866.74","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Bis{4-phenyl-1-[(3<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]thiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>}cadmium(II)","","- C34 H40 Cd N6 O2 S2 -","- C34 H40 Cd N6 O2 S2 -","- C68 H80 Cd2 N12 O4 S4 -","2","1","","Nogueira, Vanessa Senna; Bresolin, Leandro; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof","Crystal structure of <i>cis</i>-bis{4-phenyl-1-[(3<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]thiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>}cadmium(II) with an unknown solvent molecule","Acta Crystallographica Section E","2015","71","12","m234","m235","10.1107/S2056989015021428","","","0.71073","MoKα","","0.0451","0.0381","","","0.099","0.1031","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","170454","2020-10-21","18:00:00",""
"2241337","9.7359","0.0007","10.0822","0.0007","17.4624","0.0013","90","","94.2958","0.0015","90","","1709.3","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(5,6-Dihydrobenzo[4,5]imidazo[1,2-<i>c</i>]quinazolin-6-yl)-2-methoxyphenol","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Adam, Farook; Arafath, Md. Azharul; Rosenani, A. Haque; Razali, Mohd. R.","Crystal structure of 5-(5,6-dihydrobenzo[4,5]imidazo[1,2-<i>c</i>]quinazolin-6-yl)-2-methoxyphenol","Acta Crystallographica Section E","2015","71","12","o971","o972","10.1107/S2056989015021180","","","0.71073","MoKα","","0.0717","0.049","","","0.1248","0.1394","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","170455","2020-10-21","18:00:00",""
"2241338","8.011","0.003","13.092","0.005","15.808","0.006","90","","90.108","0.007","90","","1657.9","1.1","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(acetylacetonato)iron(III)","Tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')iron(III)","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C60 H84 Fe4 O24 -","4","1","VN2103","Baker, Tessa M.; Howard, Kevin M.; Brennessel, William W.; Neidig, Michael L.","Crystal structure of a third polymorph of tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')iron(III)","Acta Crystallographica Section E","2015","71","12","m228","m229","10.1107/S2056989015021805","","","0.71073","MoKα","","0.0408","0.0312","","","0.0772","0.0809","","","","","","1.058","","","","has coordinates,has Fobs","170456","2020-10-21","18:00:00",""
"2241339","10.0933","0.0005","12.0661","0.0006","13.7576","0.0006","97.759","0.001","110.795","0.001","102.733","0.001","1485.46","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-3,5-Bis[4-(diethylazaniumyl)benzylidene]-1-methyl- 4-oxopiperidin-1-ium","","- C28 H44 Cl3 N3 O3 -","- C28 H44 Cl3 N3 O3 -","- C56 H88 Cl6 N6 O6 -","2","1","HB7503","Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N.; Shulaev, Vladimir","Crystal structure of (3<i>E</i>,5<i>E</i>)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material","Acta Crystallographica Section E","2015","71","12","1513","1515","10.1107/S2056989015020952","","","0.71073","MoKα","","0.0643","0.0581","","","0.1586","0.1639","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2241340","10.716","0.0008","8.557","0.0005","25.696","0.0003","90","","92.374","0.005","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,11-Dihydroxy-13-methyl-1,8-di-<i>p</i>-tolyl-2,9-dithia-13-azadispiro[4.1.4^7^.3^5^]tetradecan-6-one","","- C26 H31 N O3 S2 -","- C26 H31 N O3 S2 -","- C104 H124 N4 O12 S8 -","4","1","SU5199","Viswanathan, Vijayan; Bharkavi, Shanmugavel; Perumal, Subbu; Velmurugan, Devadasan","Crystal structures of two 2,9-dithia-13-azadispiro[4.1.4^7^.3^5^]tetradecan-6-ones","Acta Crystallographica Section E","2015","71","12","1516","1520","10.1107/S2056989015020885","","","0.71073","MoKα","","0.0637","0.0516","","","0.1323","0.1412","","","","","","1.024","","","","has coordinates,has Fobs","170458","2020-10-21","18:00:00",""
"2241341","9.9803","0.0006","11.7773","0.0008","13.6506","0.0014","105.524","0.005","107.215","0.005","103.087","0.004","1392.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","13-Benzyl-4,11-dihydroxy-1,8-bis(4-methylphenyl)-2,9-dithia-13-azadispiro[4.1.4^7^.3^5^]tetradecan-6-one","","- C32 H35 N O3 S2 -","- C32 H35 N O3 S2 -","- C64 H70 N2 O6 S4 -","2","1","SU5199","Viswanathan, Vijayan; Bharkavi, Shanmugavel; Perumal, Subbu; Velmurugan, Devadasan","Crystal structures of two 2,9-dithia-13-azadispiro[4.1.4^7^.3^5^]tetradecan-6-ones","Acta Crystallographica Section E","2015","71","12","1516","1520","10.1107/S2056989015020885","","","0.71073","MoKα","","0.0662","0.0451","","","0.1153","0.1356","","","","","","1.071","","","","has coordinates,has Fobs","170458","2020-10-21","18:00:00",""
"2241342","9.6722","0.0003","10.2543","0.0005","12.4787","0.0006","84.625","0.003","79.386","0.003","77.955","0.003","1187.73","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl <i>N</i>-(4-nitrophenyl)carbamate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","2","IS5423","AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A.","Crystal structure of phenyl <i>N</i>-(4-nitrophenyl)carbamate","Acta Crystallographica Section E","2015","71","12","o969","o970","10.1107/S2056989015021544","","","0.71073","MoKα","","0.1105","0.0539","","","0.1034","0.1269","","","","","","1.053","","","","has coordinates,has Fobs","170459","2020-10-21","18:00:00",""
"2241343","10.2158","0.0008","12.9129","0.001","17.6582","0.0014","90","","103.801","0.003","90","","2262.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-4',4'-dimethyl-3-<i>p</i>-tolyl-3',4'-dihydro-1'<i>H</i>,3<i>H</i>-spiro[isoxazole-5,2'-naphthalen]-1'-one","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","RZ5177","Akhazzane, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 4-(4-methoxyphenyl)-4',4'-dimethyl-3-<i>p</i>-tolyl-3',4'-dihydro-1'<i>H</i>,3<i>H</i>-spiro[isoxazole-5,2'-naphthalen]-1'-one","Acta Crystallographica Section E","2015","71","12","o981","","10.1107/S2056989015022033","","","0.71073","MoKα","","0.0983","0.0489","","","0.109","0.1285","","","","","","1.017","","","","has coordinates,has Fobs","170460","2020-10-21","18:00:00",""
"2241344","6.478","0.0004","21.5757","0.001","4.8937","0.0003","90","","105.856","0.007","90","","657.96","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate","","- C8 H14 Cu N4 O8 -","- C8 H14 Cu N4 O8 -","- C16 H28 Cu2 N8 O16 -","2","0.5","IM2473","Reinoso, Santiago; Artetxe, Beñat; Castillo, Oscar; Luque, Antonio; Gutiérrez-Zorrilla, Juan M.","Crystal structure of <i>trans</i>-diaquabis(1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate","Acta Crystallographica Section E","2015","71","12","m232","m233","10.1107/S2056989015021593","","","1.54184","CuKα","","0.0324","0.0275","","","0.0709","0.0741","","","","","","1.09","","","","has coordinates","170461","2020-10-21","18:00:00",""
"2241345","6.4876","0.0006","6.6364","0.0005","20.1224","0.0016","90","","90","","90","","866.36","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-3,5,7,10,12-\ Pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-ylmethanol","1,2,3,4-di-<i>O</i>-Methylene-α-<i>D</i>-galactopyranose","","- C8 H12 O6 -","- C8 H12 O6 -","- C32 H48 O24 -","4","1","ZL2651","Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi","Crystal structure of 1,2,3,4-di-<i>O</i>-methylene-α-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2015","71","12","o961","o962","10.1107/S2056989015021854","","","0.71073","MoKα","","0.0333","0.0291","","","0.0726","0.0745","","","","","","1.057","","","","has coordinates,has Fobs","170462","2020-10-21","18:00:00",""
"2241346","7.739","0.005","28.161","0.016","7.945","0.004","90","","100.407","0.011","90","","1703","1.7","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Hydroxybenzyl)-4-{[4-(methylsulfanyl)benzylidene]amino}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C17 H16 N4 O S2 -","- C17 H16 N4 O S2 -","- C68 H64 N16 O4 S8 -","4","1","SU5236","Manjula, P. S.; Sarojini, B. K.; Narayana, B.; Byrappa, K.; Madan Kumar, S.","Crystal structure of (<i>E</i>)-5-(4-hydroxybenzyl)-4-{[4-(methylsulfanyl)benzylidene]amino}-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2015","71","12","o982","o983","10.1107/S2056989015021994","","","0.71075","MoKα","","0.072","0.047","","","0.0971","0.1074","","","","","","1.062","","","","has coordinates,has Fobs","170463","2020-10-21","18:00:00",""
"2241347","10.8516","0.0006","12.071","0.0006","10.2631","0.0005","90","","93.2","0.002","90","","1342.26","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","","- C15 H11 N3 O4 -","- C15 H11 N3 O4 -","- C60 H44 N12 O16 -","4","1","SU5244","Koudad, Mohamed; Elaatiaoui, Abdelmalik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 2-(4-methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","Acta Crystallographica Section E","2015","71","12","o979","o980","10.1107/S2056989015021957","","","0.71073","MoKα","","0.0881","0.0439","","","0.098","0.1198","","","","","","1.018","","","","has coordinates,has Fobs","170464","2020-10-21","18:00:00",""
"2241348","8.973","0.004","13.52","0.006","21.251","0.009","90","","90","","90","","2578","2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10a-Hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C31 H27 N O6 -","- C31 H27 N O6 -","- C124 H108 N4 O24 -","4","1","","Zhang, Xin-Yuan; Hu, Bing-Xiang; Zhou, Ze-Yu; Zhou, Lei; Wang, Fang-Ming","Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2015","71","12","1510","1512","10.1107/S2056989015021246","","","0.71073","MoKα","","0.062","0.0438","","","0.1161","0.1253","","","","","","1.032","","","","has coordinates,has Fobs","170465","2020-10-21","18:00:00",""
"2241349","10.5216","0.0005","11.3826","0.0005","13.9579","0.0006","107.898","0.0007","90.3662","0.0008","113.733","0.0007","1439.9","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,5'-Bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)","","- C29 H37 N5 O4 S2 -","- C29 H37 N5 O4 S2 -","- C58 H74 N10 O8 S4 -","2","1","DS2245","Horne, Toyketa V.; Haque, Syed A.; Barton, Adrianne; Hossain, Md. Alamgir","Crystal structure of 5,5'-bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)","Acta Crystallographica Section E","2015","71","12","o959","o960","10.1107/S2056989015021714","","","0.71073","MoKα","","0.0526","0.0439","","","0.1132","0.1219","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","170466","2020-10-21","18:00:00",""
"2241350","7.6665","0.0002","8.5788","0.0002","20.4072","0.0005","90","","91.794","0.001","90","","1341.51","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Prop-2-en-1-yl)-1-{[(1<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino}thiourea","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","HB7539","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","Crystal structure of 3-(prop-2-en-1-yl)-1-{[(1<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino}thiourea","Acta Crystallographica Section E","2015","71","12","o976","o977","10.1107/S2056989015021076","","","1.54178","CuKα","","0.0338","0.0314","","","0.0813","0.0835","","","","","","1.067","","","","has coordinates,has Fobs","170467","2020-10-21","18:00:00",""
"2241351","12.1","0.0016","12.5686","0.0016","29.149","0.004","87.377","0.002","86.955","0.002","72.339","0.002","4216","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(bis{(<i>E</i>)-[(6-{(<i>E</i>)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate","","- C42 H43 Br2 F4 N6 Ni O4.5 -","- C42 H43 Br2 F4 N6 Ni O4.5 -","- C168 H172 Br8 F16 N24 Ni4 O18 -","4","2","","Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Crystal structure of bis(bis{(<i>E</i>)-[(6-{(<i>E</i>)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate","Acta Crystallographica Section E","2015","71","12","m226","m227","10.1107/S2056989015021519","","","0.71073","MoKα","","0.0598","0.0417","","","0.097","0.1055","","","","","","1.013","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241352","6.5215","0.0004","10.0202","0.0006","23.366","0.0015","90","","90","","90","","1526.89","0.16","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","GK2646","Ngassa, Felix N.; Biros, Shannon M.; Staples, Richard J.","Crystal structure of <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2015","71","12","1521","1524","10.1107/S205698901502191X","","","0.71073","MoKα","","0.0305","0.0287","","","0.0695","0.0708","","","","","","1.059","","","","has coordinates,has Fobs","170469","2020-10-21","18:00:00",""
"2241353","8.808","0.008","5.247","0.005","22.66","0.02","90","","100.956","0.015","90","","1028.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Bromo-4-methanesulfonyl-2,3-dimethylbenzene","","- C9 H11 Br O2 S -","- C9 H11 Br O2 S -","- C36 H44 Br4 O8 S4 -","4","1","PK2567","Dai, Shangwei; Wang, Yifeng","Crystal structure of 1-bromo-4-methanesulfonyl-2,3-dimethylbenzene","Acta Crystallographica Section E","2015","71","12","o973","","10.1107/S205698901502099X","","","0.71073","MoKα","","0.0632","0.0408","","","0.1043","0.1113","","","","","","1.07","","","","has coordinates,has Fobs","170470","2020-10-21","18:00:00",""
"2241354","9.9283","0.0004","11.5343","0.0005","18.4694","0.0007","99.8886","0.0013","94.9582","0.0014","98.4315","0.0014","2047.54","0.14","297","","297","2","","","","","","","","5","P -1","-P 1","2","","4-({(1<i>E</i>,2<i>E</i>)-3-[3-(4-Fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]allylidene}amino)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C22 H20 F N5 S -","- C22 H20 F N5 S -","- C88 H80 F4 N20 S4 -","4","2","SU5237","Kulkarni, Ajaykumar D.; Rahman, Md. Lutfor; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of 4-({(1<i>E</i>,2<i>E</i>)-3-[3-(4-fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]allylidene}amino)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","12","1525","1527","10.1107/S205698901502201X","","","0.71073","MoKα","","0.0899","0.0533","","","0.115","0.1349","","","","","","1.016","","","","has coordinates,has Fobs","170525","2020-10-21","18:00:00",""
"2241355","13.0706","0.0006","14.3587","0.0005","12.9893","0.0005","90","","104.861","0.004","90","","2356.25","0.17","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-[(1,3,5,7-Tetraoxo-1,3,3a,4,4a,5,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)bis(methylene)]bis(pyridin-1-ium) dinitrate","","- C24 H22 N6 O10 -","- C24 H22 N6 O10 -","- C96 H88 N24 O40 -","4","1","","Liu, Zhimin","Crystal structure of 4,4'-[(1,3,5,7-tetraoxo-1,3,3a,4,4a,5,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)bis(methylene)]bis(pyridin-1-ium) dinitrate","Acta Crystallographica Section E","2015","71","12","o986","o987","10.1107/S2056989015022227","","","0.71073","MoKα","","0.0857","0.0432","","","0.1096","0.1457","","","","","","0.999","","","","has coordinates,has Fobs","170526","2020-10-21","18:00:00",""
"2241356","8.9032","0.0005","9.6307","0.0005","11.3401","0.0006","93.306","0.002","108.71","0.002","114.929","0.002","813.83","0.08","90","","90","","","","","","","","","4","P -1","-P 1","2","","(±)-(5<i>SR</i>,6<i>SR</i>)-6-Ethenyl-1-[(<i>RS</i>)-1-phenylethoxy]-1-azaspiro[4.5]decan-2-one","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","IS5431","Oishi, Takeshi; Yamamoto, Shio; Yokoyama, Takashi; Kobayashi, Akihiro; Sato, Takaaki; Chida, Noritaka","Crystal structure of (±)-(5<i>SR</i>,6<i>SR</i>)-6-ethenyl-1-[(<i>RS</i>)-1-phenylethoxy]-1-azaspiro[4.5]decan-2-one","Acta Crystallographica Section E","2015","71","12","1528","1530","10.1107/S2056989015021209","","","0.71073","MoKα","","0.0484","0.034","","","0.0756","0.0828","","","","","","1.063","","","","has coordinates,has Fobs","170527","2020-10-21","18:00:00",""
"2241357","9.9849","0.0006","11.5293","0.0007","21.198","0.0012","90","","90","","90","","2440.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1-Ethoxyethylidene)dimethylazanium tetraphenylborate","","- C30 H34 B N O -","- C30 H34 B N O -","- C120 H136 B4 N4 O4 -","4","1","ZL2652","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","Crystal structure of (1-ethoxyethylidene)dimethylazanium tetraphenylborate","Acta Crystallographica Section E","2015","71","12","o984","o985","10.1107/S2056989015022252","","","0.71073","MoKα","","0.0428","0.0368","","","0.091","0.0948","","","","","","1.032","","","","has coordinates,has Fobs","170528","2020-10-21","18:00:00",""
"2241358","6.262","0.0005","7.1053","0.0007","10.7101","0.001","102.461","0.008","96.754","0.007","114.823","0.008","410.49","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquanickel(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate)","","- C12 H20 N2 Ni O12 -","- C12 H20 N2 Ni O12 -","- C12 H20 N2 Ni O12 -","1","0.5","WM5241","Pérez-Aguirre, Rubén; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Gutiérrez-Zorrilla, Juan Manuel; Luque, Antonio","The crystal structure of a new polymorph of hexaaquanickel(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate)","Acta Crystallographica Section E","2015","71","12","m238","m239","10.1107/S2056989015022422","","","0.71073","MoKα","","0.0362","0.032","","","0.0666","0.0698","","","","","","1.059","","","","has coordinates,has Fobs","170592","2020-10-21","18:00:00",""
"2241359","6.6508","0.0002","8.3906","0.0003","11.6388","0.0004","96.504","0.002","95.614","0.002","94.757","0.002","639.31","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-<i>N</i>'-phenyl-2<i>H</i>-chromene-3-carbohydrazide","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","FF2144","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-oxo-<i>N</i>'-phenyl-2<i>H</i>-chromene-3-carbohydrazide","Acta Crystallographica Section E","2015","71","12","o1005","o1006","10.1107/S2056989015022495","","","1.54178","CuKα","","0.0414","0.0373","","","0.1019","0.1066","","","","","","1.061","","","","has coordinates,has Fobs","170593","2020-10-21","18:00:00",""
"2241360","14.3733","0.0017","16.1159","0.0019","11.7019","0.0014","90","","95.007","0.001","90","","2700.3","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethyl 2-(<i>tert</i>-butylamino)-5-[2-oxo-4-(thiomorpholin-4-yl)-2<i>H</i>-chromen-3-yl]furan-3,4-dicarboxylate ethyl acetate hemisolvate","","- C27 H32 N2 O8 S -","- C27 H32 N2 O8 S -","- C108 H128 N8 O32 S4 -","4","1","HB7531","Moriguchi, Tetsuji; Jalli, Venkataprasad; Krishnamurthy, Suvratha; Tsuge, Akihiko; Yoza, Kenji","Crystal structure of 3,4-dimethyl 2-(<i>tert</i>-butylamino)-5-[2-oxo-4-(thiomorpholin-4-yl)-2<i>H</i>-chromen-3-yl]furan-3,4-dicarboxylate ethyl acetate hemisolvate","Acta Crystallographica Section E","2015","71","12","o1003","o1004","10.1107/S2056989015021970","","","0.71073","MoKα","","0.0353","0.032","","","0.0829","0.0855","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","170594","2020-10-21","18:00:00",""
"2241361","16.7752","0.0017","5.7573","0.001","12.2887","0.0013","90","","105.68","0.007","90","","1142.7","0.3","297","","297","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","<i>cis</i>-2-Amino-1,2-diphenylethanol","<i>cis</i>-2-Amino-1,2-diphenylethanol","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","SU5243","Fujii, Isao","Crystal structure of racemic <i>cis</i>-2-amino-1,2-diphenylethanol (ADE)","Acta Crystallographica Section E","2015","71","12","1539","1541","10.1107/S2056989015022318","","","1.54178","CuKα","","0.0422","0.0366","","","0.0999","0.1054","","","","","","1.028","","","","has coordinates,has Fobs","170595","2020-10-21","18:00:00",""
"2241362","19.9231","0.0006","15.3515","0.0006","13.7587","0.0005","90","","90","","90","","4208.1","0.3","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Bis(4-acetylanilinium) tetrachloridomercurate(II)","","- C16 H20 Cl4 Hg N2 O2 -","- C16 H20 Cl4 Hg N2 O2 -","- C128 H160 Cl32 Hg8 N16 O16 -","8","0.5","","Thairiyaraja, Manickam; Elangovan, Arumugam; Arivazhagan, Ganesh; Selvaraju, Kuthambalam; Thamotharan, Subbiah","Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2015","71","12","m236","m237","10.1107/S2056989015022355","","","0.71073","MoKα","","0.0419","0.0233","","","0.0502","0.0562","","","","","","1.037","","","","has coordinates,has Fobs","206165","2020-10-21","18:00:00",""
"2241363","11.5137","0.0005","12.0584","0.0006","10.3426","0.0004","90","","90","","90","","1435.93","0.11","150","2","150","2","","","","","","","","2","P b a m","-P 2 2ab","55","","Tetracalcium triarsenide","","- As3 Ca4 -","- As3 Ca4 -","- As24 Ca32 -","8","1","RU2065","Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.","Ca~4~As~3~ ‒ a new binary calcium arsenide","Acta Crystallographica Section E","2015","71","12","1548","1550","10.1107/S2056989015022367","","","0.71073","MoKα","","0.0991","0.0335","","","0.0481","0.0537","","","","","","0.68","","","","has coordinates,has Fobs","170597","2020-10-21","18:00:00",""
"2241364","10.3526","0.0002","7.2612","0.0001","11.9198","0.0002","90","","108.121","0.0006","90","","851.6","0.02","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>E</i>)-13-(Pyrimidin-5-yl)parthenolide","(1a<i>R</i>,4<i>E</i>,7a<i>S</i>,8<i>E</i>,10a<i>S</i>,10b<i>R</i>)-1a,5-\ Dimethyl-8-[(pyrimidin-5-yl)methylidene]-2,3,6,7,7a,8,10a,10b-\ octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","ZS2350","Bommagani, Shobanbabu; Penthala, Narsimha R.; Parkin, Sean; Crooks, Peter A.","Crystal structure of (<i>E</i>)-13-(pyrimidin-5-yl)parthenolide","Acta Crystallographica Section E","2015","71","12","1536","1538","10.1107/S2056989015021507","","","1.54178","CuKα","","0.0268","0.0267","","","0.0677","0.0678","","","","","","1.053","","","","has coordinates,has Fobs","170598","2020-10-21","18:00:00",""
"2241365","5.7853","0.0003","8.9442","0.0005","14.3528","0.0008","90","","90","","90","","742.68","0.07","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-α-<i>L</i>-psicofuranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","IS5433","Yoshihara, Akihide; Ishii, Tomohiko; Kamakura, Tatsuya; Taguchi, Hiroaki; Fukada, Kazuhiro","Crystal structure of 6-deoxy-α-<small>L</small>-psicofuranose","Acta Crystallographica Section E","2015","71","12","o993","o994","10.1107/S2056989015022215","","","1.54187","CuKα","","0.0274","0.0267","","","0.0649","0.0654","","","","","","1.078","","","","has coordinates,has Fobs","170599","2020-10-21","18:00:00",""
"2241366","6.2399","0.0017","10.222","0.002","22.251","0.006","90","","90.232","0.008","90","","1419.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[(2,4-Dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","HB7548","Danish, Muhammad; Akbar, Saba; Tahir, Muhammad Nawaz; Butt, Rabia Ayub; Ashfaq, Muhammad","Crystal structure of 4-{[(2,4-dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid","Acta Crystallographica Section E","2015","71","12","o995","o996","10.1107/S2056989015022343","","","0.71073","MoKα","","0.17","0.0768","","","0.1695","0.2144","","","","","","1.013","","","","has coordinates,has Fobs","170600","2020-10-21","18:00:00",""
"2241367","8.317","0.0005","11.5993","0.0007","11.6135","0.0006","116.847","0.0013","105.281","0.0013","92.011","0.0017","948.68","0.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","7-{[Bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol","","- C22 H19 Cl N4 O -","- C22 H19 Cl N4 O -","- C44 H38 Cl2 N8 O2 -","2","1","SU5241","Kubono, Koji; Kado, Kimiko; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko","Crystal structure of 7-{[bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol","Acta Crystallographica Section E","2015","71","12","1545","1547","10.1107/S2056989015022410","","","0.71075","MoKα","","0.0918","0.0361","","","0.0872","0.1227","","","","","","1.086","","","","has coordinates,has Fobs","170601","2020-10-21","18:00:00",""
"2241368","29.831","0.002","29.831","0.002","9.7983","0.0008","90","","90","","120","","7551.2","0.9","90","2","90","2","","","","","","","","5","R -3","-R 3","148","","(<i>tert</i>-Butylcarbamoyl)(4-chloro-2-oxo-2<i>H</i>-chromen-3-yl)methyl acetate","","- C17 H18 Cl N O5 -","- C17 H18 Cl N O5 -","- C306 H324 Cl18 N18 O90 -","18","","ZS2353","Moriguchi, Tetsuji; Jalli, Venkataprasad; Krishnamurthy, Suvratha; Tsuge, Akihiko; Yoja, Kenji","Crystal structure of (<i>tert</i>-butylcarbamoyl)(4-chloro-2-oxo-2<i>H</i>-chromen-3-yl)methyl acetate","Acta Crystallographica Section E","2015","71","12","o1002","","10.1107/S2056989015021982","","","0.71073","MoKα","","0.0314","0.027","","","0.0821","0.0943","","","","","","1.121","","","","has coordinates,has Fobs","170602","2020-10-21","18:00:00",""
"2241369","9.7783","0.0011","12.215","0.0013","14.5861","0.0015","107.965","0.006","108.254","0.005","99.533","0.005","1506.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-3-cyclopropyl-1-(1<i>H</i>-1,2,4-triazol-1-yl)butan-2-ol","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","2","HG5465","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of cyproconazole","Acta Crystallographica Section E","2015","71","12","o1007","","10.1107/S2056989015022665","","","0.71073","MoKα","","0.0627","0.0477","","","0.1346","0.142","","","","","","1.096","","","","has coordinates,has Fobs","170603","2020-10-21","18:00:00",""
"2241370","15.3407","0.0005","9.5618","0.0003","11.7616","0.0004","90","","100.615","0.001","90","","1695.72","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-Benzyloxy-2-{[(4-nitrophenyl)imino]methyl}phenol","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","SU5239","Ghichi, Nadir; Benaouida, Mohamed Amine; Benboudiaf, Ali; Merazig, Hocine","Crystal structure of (<i>E</i>)-5-benzyloxy-2-{[(4-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","12","o1000","o1001","10.1107/S2056989015022173","","","0.71073","MoKα","","0.0687","0.0485","","","0.1242","0.1464","","","","","","1.04","","","","has coordinates,has Fobs","170604","2020-10-21","18:00:00",""
"2241371","10.8711","0.0007","5.3815","0.0003","21.1997","0.0013","90","","93.128","0.001","90","","1238.39","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","HB7545","Sebbar, N. K.; Ellouz, M.; Essassi, E. M.; Ouzidan, Y.; Mague, J. T.","Crystal structure of 4-benzyl-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","12","o999","","10.1107/S2056989015022276","","","0.71073","MoKα","","0.0453","0.0375","","","0.1034","0.1069","","","","","","1.06","","","","has coordinates,has Fobs","170605","2020-10-21","18:00:00",""
"2241372","13.5133","0.0007","13.5039","0.0007","13.7752","0.0007","90","","101.866","0.001","90","","2460","0.2","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sjfbk16","Tris[1-oxopyridine-2-olato(1-)]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","","- C17 H12 Cl7 D2 N3 O6 Si -","- C17 H12 Cl7 D2 N3 O6 Si -","- C68 H48 Cl28 D8 N12 O24 Si4 -","4","1","HG5464","Kraft, Bradley M.; Brennessel, William W.; Ryan, Amy E.; Benjamin, Candace K.","Crystal structures of tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate, tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride acetonitrile unquantified solvate, and <i>fac</i>-tris[1-oxopyridine-2-thiolato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","Acta Crystallographica Section E","2015","71","12","1531","1535","10.1107/S2056989015022203","","","0.71073","MoKα","","0.0774","0.0438","","","0.1025","0.117","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","170606","2020-10-21","18:00:00",""
"2241373","6.8347","0.0007","11.1232","0.0012","13.1513","0.0014","90.479","0.002","93.269","0.002","102.356","0.002","974.85","0.18","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","sjfbk49","Tris[1-oxopyridine-2-olato(1-)]silicon(IV) chloride acetonitrile unknown solvate","","- C15 H12 Cl N3 O6 Si -","- C15 H12 Cl N3 O6 Si -","- C30 H24 Cl2 N6 O12 Si2 -","2","1","HG5464","Kraft, Bradley M.; Brennessel, William W.; Ryan, Amy E.; Benjamin, Candace K.","Crystal structures of tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate, tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride acetonitrile unquantified solvate, and <i>fac</i>-tris[1-oxopyridine-2-thiolato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","Acta Crystallographica Section E","2015","71","12","1531","1535","10.1107/S2056989015022203","","","0.71073","MoKα","","0.0838","0.0502","","","0.1185","0.1321","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","170606","2020-10-21","18:00:00",""
"2241374","13.9483","0.0012","13.9483","0.0012","13.9483","0.0012","90","","90","","90","","2713.7","0.4","100","0.5","100","0.5","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","sjfbk44","<i>fac</i>-Tris[1-oxopyridine-2-thiolato(1-)]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","","- C17 H12 Cl7 D2 N3 O3 S3 Si -","- C17 H12 Cl7 D2 N3 O3 S3 Si -","- C68 H48 Cl28 D8 N12 O12 S12 Si4 -","4","0.333333","HG5464","Kraft, Bradley M.; Brennessel, William W.; Ryan, Amy E.; Benjamin, Candace K.","Crystal structures of tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate, tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride acetonitrile unquantified solvate, and <i>fac</i>-tris[1-oxopyridine-2-thiolato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate","Acta Crystallographica Section E","2015","71","12","1531","1535","10.1107/S2056989015022203","","","0.71073","MoKα","","0.0481","0.037","","","0.0821","0.0879","","","","","","1.032","","","","has coordinates,has Fobs","170606","2020-10-21","18:00:00",""
"2241375","9.5276","0.0002","10.003","0.0002","21.9495","0.0007","90","","90","","90","","2091.89","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-<i>O</i>-Benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-erythrofuranose","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C92 H100 N12 O16 -","4","1","SU5245","Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris","Crystal structure of 3-<i>O</i>-benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-erythrofuranose","Acta Crystallographica Section E","2015","71","12","1542","1544","10.1107/S2056989015022434","","","0.71073","MoKα","","0.1217","0.0534","","","0.0887","0.106","","","","","","1.021","","","","has coordinates,has Fobs","170607","2020-10-21","18:00:00",""
"2241376","12.443","0.002","15.194","0.003","17.856","0.003","107.099","0.002","90.376","0.002","96.899","0.002","3200.1","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(4-Methoxyphenyl)[(4-methoxyphenyl)phosphonato]dioxidophosphate(1-) 2-amino-6-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridin-6-ium","","- C31 H36 N2 O9 P2 S -","- C31 H36 N2 O9 P2 S -","- C124 H144 N8 O36 P8 S4 -","4","2","HB7549","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Ahmed, Essam K.; Albayati, Mustafa R.","Crystal structure of (4-methoxyphenyl)[(4-methoxyphenyl)phosphonato]dioxidophosphate(1{-}) 2-amino-6-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridin-6-ium","Acta Crystallographica Section E","2015","71","12","o997","o998","10.1107/S2056989015022331","","","0.71073","MoKα","","0.1392","0.0644","","","0.1532","0.1825","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","170608","2020-10-21","18:00:00",""
"2241377","5.5906","0.0003","12.9032","0.0007","14.7622","0.0006","90","","102.836","0.003","90","","1038.28","0.09","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-(1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","","- C12 H8 Br N3 O -","- C12 H8 Br N3 O -","- C48 H32 Br4 N12 O4 -","4","1","","Ouari, Kamel","Crystal structure of 4-bromo-2-(1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","Acta Crystallographica Section E","2015","71","12","o991","o992","10.1107/S2056989015022197","","","0.71073","MoKα","","0.0832","0.0433","","","0.0917","0.1105","","","","","","1.023","","","","has coordinates,has Fobs","170609","2020-10-21","18:00:00",""
"2241383","15.5111","0.0008","10.7218","0.0006","12.0169","0.0006","90","","91.449","0.003","90","","1997.85","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benzobicyclon","3-(2-Chloro-4-mesylbenzoyl)-4-(phenylsulfanyl)bicyclo[3.2.1]oct-3-en-2-one","","- C22 H19 Cl O4 S2 -","- C22 H19 Cl O4 S2 -","- C88 H76 Cl4 O16 S8 -","4","1","SJ5485","Kang, Gihaeng; Kim, Jineun; Lim, Hansu; Kim, Tae Ho","Crystal structure of benzobicyclon","Acta Crystallographica Section E","2015","71","12","o1035","","10.1107/S2056989015023221","","","0.71073","MoKα","","0.079","0.053","","","0.1298","0.1424","","","","","","1.069","","","","has coordinates,has Fobs","171464","2020-10-21","18:00:00",""
"2241384","7.6197","0.0008","7.9849","0.0007","13.0624","0.0014","77.6","0.005","77.996","0.005","61.954","0.004","679.76","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(4-chlorobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","","- C13 H10 Cl N O S2 -","- C13 H10 Cl N O S2 -","- C26 H20 Cl2 N2 O2 S4 -","2","1","HB7551","El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-3-allyl-5-(4-chlorobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2015","71","12","o1012","","10.1107/S2056989015022689","","","0.71073","MoKα","","0.0732","0.0467","","","0.1215","0.1438","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","171465","2020-10-21","18:00:00",""
"2241385","9.5198","0.0003","10.0655","0.0003","11.2341","0.0003","70.9288","0.0016","75.4109","0.0016","85.2199","0.0016","984.58","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-1-ethylindoline-2,3-dione","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","2","SU5250","Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen","Crystal structure of 5-bromo-1-ethylindoline-2,3-dione","Acta Crystallographica Section E","2015","71","12","o1024","o1025","10.1107/S2056989015023002","","","0.71073","MoKα","","0.0738","0.0387","","","0.0895","0.1051","","","","","","1.016","","","","has coordinates,has Fobs","171466","2020-10-21","18:00:00",""
"2241386","12.1297","0.0007","7.6581","0.0004","12.3577","0.0007","90","","103.769","0.006","90","","1114.93","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenoxy)benzaldehyde","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Schäfer, Andreas; Iovkova-Berends, Ljuba; Gilke, Stefan; Kossmann, Paul; Preut, Hans; Hiersemann, Martin","Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde","Acta Crystallographica Section E","2015","71","12","o1021","","10.1107/S2056989015022707","","","0.71073","MoKα","","0.0466","0.0395","","","0.106","0.1122","","","","","","1.041","","","","has coordinates,has Fobs","171467","2020-10-21","18:00:00",""
"2241387","8.3009","0.0004","9.0466","0.0005","10.42","0.0006","96.64","0.004","105.82","0.004","116.07","0.004","650.68","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine monosolvate","","- C20 H28 Co N8 O2 S2 -","- C20 H28 Co N8 O2 S2 -","- C20 H28 Co N8 O2 S2 -","1","0.5","WM5240","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine monosolvate","Acta Crystallographica Section E","2015","71","12","m242","m243","10.1107/S2056989015021829","","","0.71073","MoKα","","0.0381","0.0346","","","0.0952","0.0974","","","","","","1.052","","","","has coordinates,has Fobs","171468","2020-10-21","18:00:00",""
"2241388","7.7463","0.0002","25.4402","0.0008","11.1421","0.0003","90","","102.659","0.002","90","","2142.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(<i>N</i>-methylsalicylaldiminato-κ^2^<i>N</i>,<i>O</i>)chromium(III)","","- C24 H24 Cr N3 O3 -","- C24 H24 Cr N3 O3 -","- C96 H96 Cr4 N12 O12 -","4","1","WM5245","Hilbert, Jessica; Kabus, Sven; Näther, Christian; Bensch, Wolfgang","Crystal structure of tris(<i>N</i>-methylsalicylaldiminato-κ^2^<i>N</i>,<i>O</i>)chromium(III)","Acta Crystallographica Section E","2015","71","12","m247","m248","10.1107/S2056989015023038","","","0.71073","MoKα","","0.0396","0.0328","","","0.0895","0.0924","","","","","","1.067","","","","has coordinates,has Fobs","171469","2020-10-21","18:00:00",""
"2241389","9.665","0.0003","33.8756","0.0009","11.1543","0.0005","90","","93.759","0.001","90","","3644.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>''-(2-Ethoxy-2-oxoethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyl-<i>N</i>''-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","","- C40 H54 B N5 O3 -","- C40 H54 B N5 O3 -","- C160 H216 B4 N20 O12 -","4","1","RZ5179","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>''-(2-ethoxy-2-oxoethyl)-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyl-<i>N</i>''-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","Acta Crystallographica Section E","2015","71","12","o1026","o1027","10.1107/S2056989015023142","","","0.71073","MoKα","","0.0798","0.0481","","","0.1105","0.1219","","","","","","1.06","","","","has coordinates,has Fobs","171471","2020-10-21","18:00:00",""
"2241390","14.3933","0.0018","11.0261","0.0014","8.2453","0.0011","90","","105.119","0.013","90","","1263.3","0.3","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]zinc(II)","","- C22 H32 N6 O8 Zn -","- C22 H32 N6 O8 Zn -","- C44 H64 N12 O16 Zn2 -","2","0.5","HG5460","Roberts, T. J.; Mehari, T. F.; Assefa, Z.; Hamby, T.; Sykora, R. E.","Crystal structure of bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')bis[2-(4-nitrophenyl)acetato-κ<i>O</i>]zinc(II)","Acta Crystallographica Section E","2015","71","12","m240","m241","10.1107/S2056989015022380","","","0.71073","MoKα","","0.0454","0.034","","","0.0691","0.0752","","","","","","1.057","","","","has coordinates,has Fobs","171472","2020-10-21","18:00:00",""
"2241391","10.8692","0.0007","7.4103","0.0005","12.8551","0.0009","90","","104.006","0.007","90","","1004.62","0.12","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-(prop-2-en-1-ylsulfanyl)-1<i>H</i>-imidazol-3-ium bromide","","- C7 H11 Br N2 S -","- C7 H11 Br N2 S -","- C28 H44 Br4 N8 S4 -","4","1","","Gaitor, Jamie C.; Zayas, Manuel Sanchez; Myrthil, Darrel J.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; O'Brien, Richard A.; Reilly, John T.; Mirjafari, Arsalan","Crystal structure of a methimazole-based ionic liquid","Acta Crystallographica Section E","2015","71","12","o1008","o1009","10.1107/S2056989015022136","","","0.71073","MoKα","","0.0392","0.0295","","","0.0607","0.0647","","","","","","1.034","","","","has coordinates,has Fobs","171473","2020-10-21","18:00:00",""
"2241392","8.7477","0.0004","13.8218","0.0007","26.6422","0.0013","90","","90","","90","","3221.3","0.3","120","2","120.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C128 H160 O48 -","16","2","FF2145","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 3,4-dimethoxyphenol","Acta Crystallographica Section E","2015","71","12","o1019","","10.1107/S2056989015022860","","","0.71073","MoKα","","0.0514","0.0423","","","0.1095","0.1156","","","","","","1.042","","","","has coordinates,has Fobs","171474","2020-10-21","18:00:00",""
"2241393","7.2792","0.0004","37.7252","0.0016","11.3443","0.0005","90","","94.701","0.002","90","","3104.8","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis[μ-<i>S</i>-hexyl 3-(2-oxidobenzylidene)dithiocarbazato-κ^4^<i>O</i>,<i>N</i>^3^,<i>S</i>:<i>O</i>]dicopper(II)","","- C28 H36 Cu2 N4 O2 S4 -","- C28 H36 Cu2 N4 O2 S4 -","- C112 H144 Cu8 N16 O8 S16 -","4","1","SU5246","Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of bis[μ-<i>S</i>-hexyl 3-(2-oxidobenzylidene)dithiocarbazato-κ^4^<i>O</i>,<i>N</i>^3^,<i>S</i>:<i>O</i>]dicopper(II)","Acta Crystallographica Section E","2015","71","12","m249","m250","10.1107/S2056989015022914","","","0.71075","MoKα","","0.0274","0.0268","","","0.0661","0.0663","","","","","","1.056","","","","has coordinates,has Fobs","171475","2020-10-21","18:00:00",""
"2241394","9.647","0.0008","14.1077","0.0012","14.0062","0.0012","90","","104.891","0.001","90","","1842.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Methylphenyl)-1-phenyl-5-[(<i>E</i>)-2-phenylethenyl]-1<i>H</i>-pyrazole","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Adam, Farook; Charishma, Sharath Poojary; Prabhu, Basrur Ramya; Samshuddin, Seranthimata; Ameram, Nadiah","Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(<i>E</i>)-2-phenylethenyl]-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2015","71","12","o1020","","10.1107/S2056989015022811","","","0.71073","MoKα","","0.0817","0.0614","","","0.1518","0.1665","","","","","","1.043","","","","has coordinates,has Fobs","171476","2020-10-21","18:00:00",""
"2241395","7.5254","0.0007","11.7221","0.0012","11.8697","0.0012","109.481","0.009","100.698","0.008","100.052","0.008","937.84","0.18","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","Bis(1,3-dimethoxyimidazolin-2-ylidene)silver(I) hexafluoridophosphate","","- C10 H16 Ag F6 N4 O4 P -","- C10 H16 Ag F6 N4 O4 P -","- C20 H32 Ag2 F12 N8 O8 P2 -","2","1","BQ2402","Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","Crystal structure of bis(1,3-dimethoxyimidazolin-2-ylidene)silver(I) hexafluoridophosphate, N-heterocyclic carbene (NHC) complex","Acta Crystallographica Section E","2015","71","12","m251","m252","10.1107/S2056989015023130","","","0.71073","MoKα","","0.0557","0.0435","","","0.1005","0.109","","","","","","1.021","","","","has coordinates,has Fobs","171477","2020-10-21","18:00:00",""
"2241396","13.5332","0.0006","14.9825","0.0007","22.7179","0.0013","90","","106.205","0.001","90","","4423.3","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>tert</i>-Butyldimethylsilyl)triphenylgermane","","- C24 H30 Ge Si -","- C24 H30 Ge Si -","- C192 H240 Ge8 Si8 -","8","1","IM2474","Zaitsev, Kirill V.; Zaitseva, Galina S.; Karlov, Sergey S.; Korlyukov, Alexander A.","Crystal structure of (<i>tert</i>-butyldimethylsilyl)triphenylgermane, Ph~3~Ge-SiMe~2~(<i>t</i>-Bu)","Acta Crystallographica Section E","2015","71","12","o1015","o1016","10.1107/S2056989015022872","","","0.71073","MoKα","","0.0544","0.0325","","","0.0644","0.0709","","","","","","1.01","","","","has coordinates,has Fobs","171478","2020-10-21","18:00:00",""
"2241397","10.1105","0.0009","10.7469","0.0009","11.9839","0.001","64.103","0.003","84.272","0.003","75.826","0.003","1135.67","0.17","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(3,5-dimethylpyrazolium) β-octamolybdate tetrahydrate","","- C20 H44 Mo8 N8 O30 -","- C20 H40 Mo8 N8 O30 -","- C20 H40 Mo8 N8 O30 -","1","0.5","","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate","Acta Crystallographica Section E","2015","71","12","m244","m245","10.1107/S2056989015022823","","","0.71073","MoKα","","0.044","0.0257","","","0.0503","0.056","","","","","","1.062","","","","has coordinates,has Fobs","171479","2020-10-21","18:00:00",""
"2241398","21.9524","0.0015","6.2511","0.0004","24.1521","0.0016","90","","106.307","0.0009","90","","3181","0.4","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-[4-(Dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C152 H168 N24 O8 -","8","1","","Adam, Farook; Samshuddin, Seranthimata; Ameram, Nadiah; Subramaya; Samartha, Laxminarayana","Crystal structure of 5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","Acta Crystallographica Section E","2015","71","12","o1031","o1032","10.1107/S2056989015023294","","","0.71073","MoKα","","0.0499","0.0429","","","0.1156","0.1222","","","","","","1.036","","","","has coordinates,has Fobs","171480","2020-10-21","18:00:00",""
"2241399","5.4044","0.0006","11.2306","0.0013","11.7966","0.0013","80.1","0.005","84.912","0.006","76.732","0.006","685.6","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-Allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","","- C13 H10 Br N O S2 -","- C13 H10 Br N O S2 -","- C26 H20 Br2 N2 O2 S4 -","2","1","SU5249","El Ajlaoui, Rahhal; Rakib, El Mostapha; Forsal, Issam; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-3-allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2015","71","12","o1010","o1011","10.1107/S2056989015022884","","","0.71073","MoKα","","0.0678","0.0387","","","0.085","0.0978","","","","","","1.013","","","","has coordinates,has Fobs","171481","2020-10-21","18:00:00",""
"2241400","9.9767","0.0006","8.7342","0.0005","23.1027","0.0014","90","","94.508","0.001","90","","2006.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-Ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[<i>b</i>][1,4]thiazin-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","TK5410","Ellouz, M.; Sebbar, N. K.; Essassi, E. M.; Ouzidan, Y.; Mague, J. T.","Crystal structure of (<i>Z</i>)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[<i>b</i>][1,4]thiazin-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","Acta Crystallographica Section E","2015","71","12","o1022","o1023","10.1107/S2056989015022987","","","0.71073","MoKα","","0.0537","0.0434","","","0.1085","0.1165","","","","","","1.043","","","","has coordinates,has Fobs","171484","2020-10-21","18:00:00",""
"2241401","6.4443","0.0006","8.4437","0.0007","13.7083","0.0012","90","","98.654","0.009","90","","737.43","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-11-Acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Bismoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Auhmani, Aziz","Crystal structure of (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2015","71","12","o1013","o1014","10.1107/S2056989015022847","","","0.71073","MoKα","","0.0674","0.061","","","0.137","0.1412","","","","","","1.052","","","","has coordinates,has Fobs","171485","2020-10-21","18:00:00",""
"2241402","29.7954","0.0012","21.3566","0.0008","8.5844","0.0003","90","","90","","90","","5462.5","0.4","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ^2^<i>N</i>,<i>N</i>'}zinc","","- C24 H42 N4 Si2 Zn -","- C24 H42 N4 Si2 Zn -","- C192 H336 N32 Si16 Zn8 -","8","0.5","","Chen, Juan","Crystal structure of bis{<i>N</i>-[(diethylamino)dimethylsilyl]anilido-κ^2^<i>N</i>,<i>N</i>'}zinc","Acta Crystallographica Section E","2015","71","12","m246","","10.1107/S2056989015022768","","","0.71073","MoKα","","0.0204","0.0189","","","0.05","0.0506","","","","","","1.115","","","","has coordinates,has Fobs","171486","2020-10-21","18:00:00",""
"2241403","8.3458","0.0008","24.657","0.002","10.9448","0.0009","90","","91.121","0.003","90","","2251.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Diethyl 2-[(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylidene]succinate","","- C23 H23 N O6 S -","- C23 H23 N O6 S -","- C92 H92 N4 O24 S4 -","4","1","RK2433","Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G.","Crystal structure of (<i>E</i>)-diethyl 2-[(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methylidene]succinate","Acta Crystallographica Section E","2015","71","12","o1029","o1030","10.1107/S2056989015023075","","","0.71073","MoKα","","0.0921","0.049","","","0.1175","0.139","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","171487","2020-10-21","18:00:00",""
"2241404","6.3833","0.0002","10.6009","0.0003","13.0915","0.0004","108.823","0.002","95.906","0.002","97.467","0.002","821.44","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C42 H32 N4 O4 -","2","1","SU5248","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile","Acta Crystallographica Section E","2015","71","12","o1017","o1018","10.1107/S205698901502280X","","","1.54178","CuKα","","0.0862","0.0566","","","0.1344","0.1506","","","","","","1.032","","","","has coordinates,has Fobs","171488","2020-10-21","18:00:00",""
"2241405","11.5494","0.0013","12.474","0.002","13.043","0.0013","102.369","0.011","105.501","0.009","109.001","0.013","1615.8","0.4","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(4-chlorophenyl)-5-[(<i>E</i>)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate","","- C16 H17 Cl N2 O3 -","- C16 H17 Cl N2 O3 -","- C64 H68 Cl4 N8 O12 -","4","2","HB7538","Efimov, Ilya; Slepukhin, Pavel; Bakulev, Vasiliy","Crystal structure of ethyl 3-(4-chlorophenyl)-5-[(<i>E</i>)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate","Acta Crystallographica Section E","2015","71","12","o1028","","10.1107/S2056989015023257","","","0.71073","MoKα","","0.1162","0.0392","","","0.0775","0.0818","","","","","","1.003","","","","has coordinates,has Fobs","171489","2020-10-21","18:00:00",""
"2241406","6.0469","0.0003","10.8135","0.0005","13.326","0.0006","109.943","0.002","93.226","0.002","95.439","0.002","811.76","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-cyano-4-(4-methoxyphenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C38 H28 N4 O4 S2 -","2","1","IS5436","Bakhouch, Mohamed; El Yazidi, Mohamed; Kerbal, Abdelali; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 2-amino-3-cyano-4-(4-methoxyphenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran","Acta Crystallographica Section E","2015","71","12","o1043","o1044","10.1107/S2056989015023464","","","0.71073","MoKα","","0.0511","0.0394","","","0.1099","0.1228","","","","","","1.022","","","","has coordinates,has Fobs","171498","2020-10-21","18:00:00",""
"2241407","17.1964","0.0005","17.6641","0.0007","17.4751","0.0006","90","","98.752","0.001","90","","5246.4","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate)","","- C63 H76 B2 N6 -","- C63 H76 B2 N6 -","- C252 H304 B8 N24 -","4","1","NR2062","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>-[3-(dimethylamino)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2015","71","12","o1045","o1046","10.1107/S2056989015023336","","","0.71073","MoKα","","0.0474","0.0381","","","0.0822","0.0872","","","","","","1.056","","","","has coordinates,has Fobs","171499","2020-10-21","18:00:00",""
"2241408","13.8558","0.0003","15.4983","0.0004","16.1108","0.0004","90","","90","","90","","3459.65","0.14","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{Bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","","- C16 H14 Cl2 Hg N4 S -","- C16 H14 Cl2 Hg N4 S -","- C128 H112 Cl16 Hg8 N32 S8 -","8","1","IM2475","Bouchouit, Mehdi; Benzerka, Saida; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane","Crystal structure of {bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","Acta Crystallographica Section E","2015","71","12","m253","m254","10.1107/S205698901502349X","","","0.71073","MoKα","","0.0345","0.0202","","","0.041","0.0455","","","","","","1.007","","","","has coordinates,has Fobs","171500","2020-10-21","18:00:00",""
"2241409","20.3669","0.0011","14.8837","0.0007","7.2154","0.0004","90","","104.372","0.002","90","","2118.79","0.19","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]","","- C21 H19 Cl3 Hg N2 -","- C21 H19 Cl3 Hg N2 -","- C84 H76 Cl12 Hg4 N8 -","4","0.5","WM5248","Bouchouit, Mehdi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Bahnous, Mebarek","Crystal structure of <i>catena</i>-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]","Acta Crystallographica Section E","2015","71","12","m255","m256","10.1107/S2056989015023427","","","0.71073","MoKα","","0.0786","0.0382","","","0.0742","0.0847","","","","","","0.996","","","","has coordinates,has Fobs","171501","2020-10-21","18:00:00",""
"2241410","10.9058","0.0003","9.5178","0.0005","23.8651","0.0006","90","","95.378","0.002","90","","2466.27","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4'-(2-Methoxyquinolin-3-yl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione","","- C30 H23 N3 O4 -","- C30 H23 N3 O4 -","- C120 H92 N12 O16 -","4","1","SU5242","Mathusalini, Sadasivam; Viswanathan, Vijayan; Mohan, Palathurai Subramaniam; Lin, Chia-Her; Velmurugan, Devadasan","Crystal structure of 4'-(2-methoxyquinolin-3-yl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione","Acta Crystallographica Section E","2015","71","12","o1038","o1039","10.1107/S2056989015023026","","","0.71073","MoKα","","0.0703","0.0436","","","0.1013","0.115","","","","","","1.032","","","","has coordinates,has Fobs","171502","2020-10-21","18:00:00",""
"2241411","7.6704","0.0003","9.9341","0.0003","22.8541","0.001","90","","98.982","0.004","90","","1720.09","0.12","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Mesityl-3-methyl-4-phenyl-1<i>H</i>-1,2,3-triazol-3-ium iodide","","- C18 H20 I N3 -","- C18 H20 I N3 -","- C72 H80 I4 N12 -","4","1","SU5254","Canseco-González, Daniel; García, Juventino J.; Flores-Alamo, Marcos","Crystal structure of 1-mesityl-3-methyl-4-phenyl-1<i>H</i>-1,2,3-triazol-3-ium iodide","Acta Crystallographica Section E","2015","71","12","o1041","o1042","10.1107/S2056989015023403","","","0.71073","MoKα","","0.0453","0.0335","","","0.0791","0.0835","","","","","","1.162","","","","has coordinates,has Fobs","171503","2020-10-21","18:00:00",""
"2241412","9.8029","0.0013","10.4175","0.0013","11.4984","0.0015","90","","115.138","0.004","90","","1063","0.2","147","2","147","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-(Benzylidene)(pyridin-2-ylmethyl)amine","","- C13 H12 N2 -","- C13 H12 N2 -","- C52 H48 N8 -","4","1","SU5247","Harrypersad, Shane; Foucher, Daniel; Lough, Alan J.","Crystal structure of (<i>E</i>)-(benzylidene)(pyridin-2-ylmethyl)amine","Acta Crystallographica Section E","2015","71","12","o1040","","10.1107/S2056989015023324","","","0.71073","MoKα","","0.0717","0.045","","","0.1026","0.1168","","","","","","1.024","","","","has coordinates,has Fobs","171504","2020-10-21","18:00:00",""
"2241413","8.9028","0.0002","11.4507","0.0003","17.0274","0.0004","90","","104.618","0.001","90","","1679.64","0.07","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","13-Phenyl-2,3,4,13-tetrahydro-1<i>H</i>-indazolo[1,2-<i>b</i>]phthalazine-1,6,11-trione","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","SU5255","Lamera, Esma; Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Chibani, Aissa; Le Borgne, Marc; Bouaziz, Zouhair","Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1<i>H</i>-indazolo[1,2-<i>b</i>]phthalazine-1,6,11-trione","Acta Crystallographica Section E","2015","71","12","o1036","o1037","10.1107/S2056989015023452","","","0.71073","MoKα","","0.0766","0.054","","","0.1692","0.1815","","","","","","1.124","","","","has coordinates,has Fobs","171505","2020-10-21","18:00:00",""
"2241414","10.58","0.001","12.0438","0.0009","13.9561","0.001","90","","90.196","0.008","90","","1778.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[(2<i>E</i>)-3-(4-Chlorophenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-ethylthiourea","","- C18 H18 Cl N3 S -","- C18 H18 Cl N3 S -","- C72 H72 Cl4 N12 S4 -","4","1","","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.","Crystal structure of 1-{(<i>Z</i>)-[(2<i>E</i>)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-ethylthiourea","Acta Crystallographica Section E","2015","71","12","o1047","o1048","10.1107/S2056989015023531","","","0.71073","MoKα","","0.1219","0.038","","","0.0827","0.1202","","","","","","1","","","","has coordinates,has Fobs","171506","2020-10-21","18:00:00",""
"2241415","9.0991","0.0008","16.4481","0.0015","16.4256","0.0015","90","","91.956","0.001","90","","2456.9","0.4","188","1","188","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethyl-1κ^2^<i>C</i>-bis(μ-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2κ^2^<i>N</i>,<i>N</i>')indium(III)lithium(I)","","- C22 H36 In Li N2 O2 -","- C22 H36 In Li N2 O2 -","- C88 H144 In4 Li4 N8 O8 -","4","1","LH5799","Briand, Glen G.; Decken, Andreas; Hoey, Marshall R.","Crystal structure of dimethyl-1κ^2^<i>C</i>-bis(μ-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-2κ^2^<i>N</i>,<i>N</i>')indium(III)lithium(I)","Acta Crystallographica Section E","2015","71","12","m257","m258","10.1107/S2056989015023476","","","0.71073","MoKα","","0.0281","0.0249","","","0.0646","0.0669","","","","","","1.052","","","","has coordinates,has Fobs","171507","2020-10-21","18:00:00",""
"2241416","11.656","0.003","17.997","0.005","13.463","0.004","90","","97.351","0.003","90","","2801","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(2-{1-[<i>N</i>-(4-bromophenyl)-2-oxo-2-phenylacetamido]-2-<i>tert</i>-butylamino-2-oxoethyl]-1<i>H</i>-pyrrol-1-yl)acetate","","- C28 H30 Br N3 O5 -","- C28 H30 Br N3 O5 -","- C112 H120 Br4 N12 O20 -","4","1","SU5258","Moriguchi, Tetsuji; Jalli, Venkataprasad; Krishnamurthy, Suvratha; Tsuge, Akihiko; Yoza, Kenji","Crystal structure of ethyl 2-(2-{1-[<i>N</i>-(4-bromophenyl)-2-oxo-2-phenylacetamido]-2-<i>tert</i>-butylamino-2-oxoethyl}-1<i>H</i>-pyrrol-1-yl)acetate","Acta Crystallographica Section E","2015","71","12","o1049","o1050","10.1107/S2056989015023592","","","0.71073","MoKα","","0.0679","0.0406","","","0.0806","0.0862","","","","","","1.352","","","","has coordinates,has Fobs","171508","2020-10-21","18:00:00",""
"2241417","7.6299","0.0005","7.8609","0.0005","11.7125","0.0007","80.16","0.001","78.143","0.001","85.178","0.001","676.52","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","8-Iodoquinolinium tetrachloridoaurate(III)","","- C9 H7 Au Cl4 I N -","- C9 H7 Au Cl4 I N -","- C18 H14 Au2 Cl8 I2 N2 -","2","1","","Onserio, Benard O.; Tamang, Sem Raj; Hoefelmeyer, James D.","Crystal structure of 8-iodoquinolinium tetrachloridoaurate(III)","Acta Crystallographica Section E","2015","71","12","m261","m262","10.1107/S2056989015022574","","","0.71073","MoKα","","0.0167","0.0159","","","0.0399","0.0403","","","","","","1.042","","","","has coordinates,has Fobs","171509","2020-10-21","18:00:00",""
"2241418","12.317","0.002","12.289","0.002","14.44","0.002","90","","90","","90","","2185.7","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-\ κ<i>N</i>^1^)dichloridodicadmium]","","- C12 H26 Cd2 Cl6 N4 -","- C12 H26 Cd2 Cl6 N4 -","- C48 H104 Cd8 Cl24 N16 -","4","0.5","WM5244","Yan, Jing-Jing; Pan, Qi-Jian; Chen, Li-Zhuang","Crystal structure of di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-κ<i>N</i>^1^)dichloridodicadmium]","Acta Crystallographica Section E","2015","71","12","m259","m260","10.1107/S2056989015023361","","","0.71073","MoKα","","0.0582","0.0542","","","0.1801","0.1829","","","","","","1.122","","","","has coordinates,has Fobs","171510","2020-10-21","18:00:00",""
"2241480","13.3524","0.0005","11.3802","0.0003","27.4261","0.0014","90","","90","","90","","4167.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","","- C15 H33 Br2 N3 O Si -","- C15 H33 Br2 N3 O Si -","- C120 H264 Br16 N24 O8 Si8 -","8","1","FF2146","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","Crystal structure of 2-bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","Acta Crystallographica Section E","2015","71","12","o1061","o1062","10.1107/S205698901502383X","","","0.71073","MoKα","","0.1058","0.0607","","","0.0901","0.0988","","","","","","1.174","","","","has coordinates","174729","2020-10-21","18:00:00",""
"2241481","12.0839","0.0009","6.4197","0.0005","19.7427","0.0018","90","","104.826","0.0012","90","","1480.5","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-(4-Methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Adam, Farook; Samshuddin, Seranthimata; Shruthi; Narayana, Badiadka; Ameram, Nadiah","Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde","Acta Crystallographica Section E","2015","71","12","o1093","o1094","10.1107/S2056989015023658","","","0.71073","MoKα","","0.0383","0.0358","","","0.0946","0.097","","","","","","1.052","","","","has coordinates,has Fobs","174730","2020-10-21","18:00:00",""
"2241482","7.463","0.005","7.827","0.005","11.79","0.005","90","","93.233","0.005","90","","687.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6-Dichloro-5-methylpyrimidine","","- C5 H4 Cl2 N2 -","- C5 H4 Cl2 N2 -","- C20 H16 Cl8 N8 -","4","1","SU5261","Medjani, Meriem; Hamdouni, Noudjoud; Brihi, Ouarda; Boudjada, Ali; Meinnel, Jean","Crystal structure of 4,6-dichloro-5-methylpyrimidine","Acta Crystallographica Section E","2015","71","12","o1073","o1074","10.1107/S2056989015024020","","","0.71073","MoKα","","0.098","0.0679","","","0.1578","0.1733","","","","","","1.009","","","","has coordinates,has Fobs","174731","2020-10-21","18:00:00",""
"2241483","5.8341","0.0007","10.4902","0.0015","16.613","0.002","90","","97.074","0.004","90","","1009","0.2","199","2","199","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)","","- C12 H32 Br2 Ni O4 -","- C12 H32 Br2 Ni O4 -","- C24 H64 Br4 Ni2 O8 -","2","0.5","WM5238","Lv, Yaokang; Liu, Mingxian; Ji, Lvlv; Zhang, Cheng; Ouyang, Mi","Crystal structure of dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2015","71","12","m263","m264","10.1107/S2056989015023555","","","0.71073","MoKα","","0.0418","0.0288","","","0.0654","0.0705","","","","","","1.005","","","","has coordinates,has Fobs","174733","2020-10-21","18:00:00",""
"2241484","8.424","0.002","10.435","0.003","13.022","0.004","109.626","0.018","100.197","0.019","90.893","0.019","1057.7","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(quinolin-1-ium) tetrachloridoferrate(III) chloride","","- C18 H16 Cl5 Fe N2 -","- C18 H16 Cl5 Fe N2 -","- C36 H32 Cl10 Fe2 N4 -","2","1","CQ2018","Boudjarda, Azzedine; Bouchouit, Karim; Arroudj, Samiha; Bouacida, Sofiane; Merazig, Hocine","Crystal structure of bis(quinolin-1-ium) tetrachloridoferrate(III) chloride","Acta Crystallographica Section E","2015","71","12","m273","m274","10.1107/S2056989015024548","","","0.71073","MoKα","","0.0491","0.0328","","","0.0682","0.0743","","","","","","1.01","","","","has coordinates,has Fobs","174734","2020-10-21","18:00:00",""
"2241485","8.2472","0.0019","9.731","0.002","10.087","0.002","90.3","0.01","96.228","0.01","96.259","0.01","799.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(5-Amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol","","- C5 H11 N5 O -","- C5 H11 N5 O -","- C20 H44 N20 O4 -","4","2","","Park, Hyun Sik; Ryu, Ji Yeon; Lee, Junseong","Crystal structure of 1-(5-amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol","Acta Crystallographica Section E","2015","71","12","o1057","o1058","10.1107/S2056989015023713","","","0.71073","MoKα","","0.0744","0.0498","","","0.1128","0.1215","","","","","","1.062","","","","has coordinates,has Fobs","174735","2020-10-21","18:00:00",""
"2241486","9.1809","0.0014","9.2384","0.0015","18.577","0.003","90","","90","","90","","1575.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>,3<i>S</i>)-3-[(<i>tert</i>-butylsulfinyl)amino]-2-fluoro-3-phenylpropanoate","","- C14 H20 F N O3 S -","- C14 H20 F N O3 S -","- C56 H80 F4 N4 O12 S4 -","4","1","","Zhao, Zhiwei; Fan, Wenqiang; Zhang, Yixiang; Li, Ya","Crystal structure of methyl (2<i>R</i>,3<i>S</i>)-3-[(<i>tert</i>-butylsulfinyl)amino]-2-fluoro-3-phenylpropanoate","Acta Crystallographica Section E","2015","71","12","o1055","o1056","10.1107/S2056989015023580","","","0.71073","MoKα","","0.0363","0.0325","","","0.0849","0.0878","","","","","","1.039","","","","has coordinates,has Fobs","174736","2020-10-21","18:00:00",""
"2241487","12.02","0.009","7.576","0.006","18.521","0.014","90","","90","","90","","1687","2","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(Thiophen-3-yl)ethyl pyrene-1-carboxylate","","- C23 H16 O2 S -","- C23 H16 O2 S -","- C92 H64 O8 S4 -","4","1","BG2569","Valderrama-García, Bianca X.; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David; Rivera, Ernesto","Crystal structure of 2-(thiophen-3-yl)ethyl pyrene-1-carboxylate","Acta Crystallographica Section E","2015","71","12","o926","o927","10.1107/S2056989015020873","","","0.71073","MoKα","","0.0796","0.0573","","","0.1244","0.1476","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","174737","2020-10-21","18:00:00",""
"2241488","8.3245","0.0005","22.536","0.002","13.258","0.0012","90","","108.092","0.007","90","","2364.2","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-\ Hexamethylguanidinium cyanate 1.5-hydrate","","- C16 H42 N8 O5 -","- C16 H42 N8 O5 -","- C64 H168 N32 O20 -","4","1","RZ5180","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium cyanate 1.5-hydrate","Acta Crystallographica Section E","2015","71","12","o1076","o1077","10.1107/S2056989015024317","","","0.71073","MoKα","","0.037","0.0341","","","0.0875","0.0893","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","174738","2020-10-21","18:00:00",""
"2241489","10.4894","0.0009","10.7917","0.0009","11.955","0.0011","103.425","0.002","94.323","0.001","115.677","0.001","1162.17","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-diacetatobis(μ-6,6'-dimethoxy-2,2'-{[(propane-1,3-diylbis(azanylylidene)]bis(methanylylidene)}diphenolato)tetrazinc","","- C46 H52 N4 O16 Zn4 -","- C46 H52 N4 O16 Zn4 -","- C46 H52 N4 O16 Zn4 -","1","0.5","","Cai, Xue; Ning, Hui","Crystal structure of di-μ-acetato-diacetatobis(μ-6,6'-dimethoxy-2,2'-{[(propane-1,3-diylbis(azanylylidene)]bis(methanylylidene)}diphenolato)tetrazinc","Acta Crystallographica Section E","2015","71","12","m217","m218","10.1107/S2056989015020551","","","0.71073","MoKα","","0.0286","0.0243","","","0.0689","0.0711","","","","","","1.051","","","","has coordinates,has Fobs","174739","2020-10-21","18:00:00",""
"2241490","8.3501","0.0002","8.4859","0.0002","17.6814","0.0004","84.424","0.001","80.952","0.001","80.954","0.001","1218.52","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate","","- C26 H25 N O6 S -","- C26 H25 N O6 S -","- C52 H50 N2 O12 S2 -","2","1","","Trigunait, Ankur; Damodharan, Kannan; Manickam, Bakthadoss; Krishnasamy, Gunasekaran","Crystal structure of methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2015","71","12","o1088","o1089","10.1107/S2056989015024172","","","0.71073","MoKα","","0.061","0.0441","","","0.1227","0.1349","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","174741","2020-10-21","18:00:00",""
"2241491","19.872","0.002","20.304","0.002","8.2924","0.0008","90","","90","","90","","3345.8","0.6","100","1","100","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1-{3-(4-Methylphenyl)-5-[(<i>E</i>)-2-phenylethenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethan-1-one","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","","Adam, Farook; Smitha, Kanathur; Charishma, Sharath Poojary; Samshuddin, Seranthimata; Ameram, Nadiah","Crystal structure of 1-{3-(4-methylphenyl)-5-[(<i>E</i>)-2-phenylethenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethan-1-one","Acta Crystallographica Section E","2015","71","12","o1095","o1096","10.1107/S2056989015024792","","","0.71073","MoKα","","0.0711","0.052","","","0.1324","0.1463","","","","","","1.037","","","","has coordinates,has Fobs","174742","2020-10-21","18:00:00",""
"2241492","13.7674","0.0003","8.9849","0.0002","19.7586","0.0004","90","","104.022","0.001","90","","2371.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis{[4-(acetylsulfanyl)phenyl]ethynyl}azulene","","- C30 H20 O2 S2 -","- C30 H20 O2 S2 -","- C120 H80 O8 S8 -","4","1","","Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 1,3-bis{[4-(acetylsulfanyl)phenyl]ethynyl}azulene","Acta Crystallographica Section E","2015","71","12","o1099","o1100","10.1107/S2056989016000323","","","0.71073","MoKα","","0.068","0.0458","","","0.1155","0.1301","","","","","","1.027","","","","has coordinates,has Fobs","174743","2020-10-21","18:00:00",""
"2241493","7.1033","0.0004","12.0526","0.0008","7.4032","0.0005","90","","112.144","0.002","90","","587.06","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ^2^<i>S</i>:<i>S</i>']","","- C4 H8 Br4 S2 Sn -","- C4 H8 Br4 S2 Sn -","- C8 H16 Br8 S4 Sn2 -","2","0.5","","Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin","Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-dithiane","Acta Crystallographica Section E","2015","71","12","m267","m268","10.1107/S2056989015023932","","","0.71073","MoKα","","0.0187","0.0166","","","0.0351","0.0356","","","","","","1.14","","","","has coordinates,has Fobs","174744","2020-10-21","18:00:00",""
"2241494","9.909","0.001","10.2373","0.001","13.8402","0.001","90","","101","0.01","90","","1378.2","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(9<i>S</i>,10<i>S</i>)-10-Ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromen-1-yl 4-methylbenzenesulfonate","","- C30 H40 O6 S -","- C30 H40 O6 S -","- C60 H80 O12 S2 -","2","1","","Gul, Waseem; Galal, Ahmed; ElSohly, Mahmoud A.; Carvalho, Paulo","Crystal structure of (9<i>S</i>,10<i>S</i>)-10-ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromen-1-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2015","71","12","o1082","o1083","10.1107/S2056989015024044","","","1.54178","CuKα","","0.0256","0.0246","","","0.0648","0.0655","","","","","","1.023","","","","has coordinates,has Fobs","174745","2020-10-21","18:00:00",""
"2241495","9.1584","0.0006","12.2932","0.0007","10.6633","0.0006","90","","97.454","0.003","90","","1190.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-[3-(Dimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium dibromide hydroxide monohydrate","","- C15 H40 Br1.99 N6 O2 -","- C15 H40 Br1.988 N6 O2 -","- C30 H80 Br3.976 N12 O4 -","2","1","SJ5490","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>-[3-(dimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethyl-<i>N</i>-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylformamidiniumyl)guanidinium dibromide hydroxide monohydrate","Acta Crystallographica Section E","2015","71","12","o1078","o1079","10.1107/S2056989015024305","","","0.71073","MoKα","","0.0389","0.0306","","","0.0672","0.0693","","","","","","0.992","","","","has coordinates,has Fobs","174746","2020-10-21","18:00:00",""
"2241496","6.2343","0.0006","14.6968","0.0014","15.054","0.0017","90.234","0.009","92.612","0.013","99.497","0.01","1358.9","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-[4-(Benzylideneamino)-5-sulfanylidene-3-(<i>p</i>-tolyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)-1-phenylpropan-1-one","","- C32 H28 N4 O2 S -","- C32 H28 N4 O2 S -","- C64 H56 N8 O4 S2 -","2","1","WM5250","Wang, Hewen","Crystal structure of (<i>E</i>)-3-[4-(benzylideneamino)-5-sulfanylidene-3-(<i>p</i>-tolyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2015","71","12","o1080","o1081","10.1107/S2056989015023804","","","0.71073","MoKα","","0.097","0.0648","","","0.1122","0.1255","","","","","","1.078","","","","has coordinates,has Fobs","174747","2020-10-21","18:00:00",""
"2241497","12.4401","0.0009","16.8987","0.0011","21.5185","0.0012","100.843","0.005","100.029","0.006","99.89","0.006","4276.1","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","{6,6'-Dibenzoyl-4,4'-di-<i>tert</i>-butyl-2,2'-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)","","- C50 H46 N2 Ni O4 -","- C50 H46 N2 Ni O4 -","- C200 H184 N8 Ni4 O16 -","4","2","ZL2639","Gupta, Abhishek K.; Butcher, Ray J.; Sil, Anjan","Crystal structure of {6,6'-dibenzoyl-4,4'-di-<i>tert</i>-butyl-2,2'-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)","Acta Crystallographica Section E","2015","71","12","1485","1487","10.1107/S2056989015021052","","","1.54184","CuKα","","0.1228","0.0676","","","0.1578","0.2076","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","174748","2020-10-21","18:00:00",""
"2241498","13.348","0.004","17.136","0.005","14.499","0.004","90","","111.321","0.01","90","","3089.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)","","- C68 H50 Cl2 Mn2 N8 O14 -","- C68 H50 Cl2 Mn2 N8 O14 -","- C136 H100 Cl4 Mn4 N16 O28 -","2","0.5","BG2577","Kani, Ibrahim","Crystal structure of bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)","Acta Crystallographica Section E","2015","71","12","m265","m266","10.1107/S2056989015023671","","","0.71073","MoKα","","0.051","0.0391","","","0.1172","0.1301","","","","","","1.056","","","","has coordinates,has Fobs","174749","2020-10-21","18:00:00",""
"2241499","10.7179","0.0009","8.5559","0.0007","24.55","0.002","90","","94.309","0.001","90","","2244.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(diphenylphosphanyl)furan","","- C28 H22 O P2 -","- C28 H22 O P2 -","- C112 H88 O4 P8 -","4","1","SU5229","Martínez de León, Carla; Tlahuext, Hugo; Grévy, Jean-Michel","Crystal structure of 2,5-bis(diphenylphosphanyl)furan","Acta Crystallographica Section E","2015","71","12","o922","o923","10.1107/S2056989015020964","","","0.71073","MoKα","","0.048","0.0459","","","0.1043","0.1055","","","","","","1.174","","","","has coordinates,has Fobs","174750","2020-10-21","18:00:00",""
"2241500","13.9017","0.0009","13.9542","0.0009","16.9827","0.0011","69.649","0.001","65.978","0.001","83.585","0.001","2819.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4,8-Di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate","","- C55.5 H78 Cl4 N2 O4 Si2 -","- C55.5 H78 Cl4 N2 O4 Si2 -","- C111 H156 Cl8 N4 O8 Si4 -","2","1","ZP2021","Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.","Crystal structure of 4,8-di-<i>tert</i>-butyl-6,6-dichloro-13-ethyl-2,10-dimethyl-13,14-dihydro-12<i>H</i>-dibenzo[<i>d</i>,<i>i</i>][1,3,7,2]dioxazasilecine toluene 0.25-solvate","Acta Crystallographica Section E","2015","71","12","o1065","o1066","10.1107/S2056989015023889","","","0.71073","MoKα","","0.0589","0.0427","","","0.1005","0.1091","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","174753","2020-10-21","18:00:00",""
"2241501","18.0508","0.0014","7.279","0.0005","11.376","0.0009","90","","98.929","0.007","90","","1476.6","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ DAZOP^+^][I^-^]","4-{2-[4-(Dimethylamino)phenyl]diazen-1-yl}-1-methylpyridinium iodide","","- C14 H17 I N4 -","- C14 H17 I N4 -","- C56 H68 I4 N16 -","4","1","","Chulvi, Katherine; Costero, Ana; Ochando, Luis E.; Gaviña, Pablo","Crystal structure of 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-1-methylpyridinium iodide","Acta Crystallographica Section E","2015","71","12","o1069","o1070","10.1107/S2056989015023646","","","0.71073","MoKα","","0.0656","0.0347","","","0.0617","0.0651","","","","","","0.784","","","","has coordinates,has Fobs","174754","2020-10-21","18:00:00",""
"2241502","11.4093","0.0009","5.7749","0.0004","14.7469","0.0008","90","","96.3","0.006","90","","965.77","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4,4,4-Trifluoro-3-phenylbut-2-enoic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","1","HB7527","Barkov, Alexey","Crystal structure of (<i>E</i>)-4,4,4-trifluoro-3-phenylbut-2-enoic acid","Acta Crystallographica Section E","2015","71","12","o1090","","10.1107/S2056989015023725","","","0.7107","MoKα","","0.0843","0.0471","","","0.1325","0.1705","","","","","","1.019","","","","has coordinates,has Fobs","174755","2020-10-21","18:00:00",""
"2241503","10.1709","0.0004","8.4461","0.0003","21.5569","0.0009","90","","90","","90","","1851.83","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Piperazine-1,4-diium bis(4-aminobenzenesulfonate)","","- C16 H24 N4 O6 S2 -","- C16 H24 N4 O6 S2 -","- C64 H96 N16 O24 S8 -","4","0.5","SU5262","Kumar, K. Sathesh; Ranjith, S.; Sudhakar, S.; Srinivasan, P.; Ponnuswamy, M. N.","Crystal structure of piperazine-1,4-diium bis(4-aminobenzenesulfonate)","Acta Crystallographica Section E","2015","71","12","o1084","o1085","10.1107/S2056989015024457","","","0.71073","MoKα","","0.056","0.0384","","","0.0933","0.1068","","","","","","1.031","","","","has coordinates,has Fobs","174756","2020-10-21","18:00:00",""
"2241504","5.8096","0.0003","13.2034","0.0005","12.5738","0.0006","90","","97.641","0.003","90","","955.93","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxy-benzofuran-3-yl-acetic acid","2-(5-Methoxy-1-benzofuran-3-yl)acetic acid","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Gowda, Ramakrishna; Gowda, K. V. Arjuna; Reddy, M. Keshava; Basanagouda, Mahantesha","Crystal structure of 2-(5-methoxy-1-benzofuran-3-yl)acetic acid","Acta Crystallographica Section E","2015","71","12","o1053","o1054","10.1107/S2056989015023609","","","0.71073","MoKα","","0.0577","0.0395","","","0.0913","0.1104","","","","","","1.12","","","","has coordinates,has Fobs","174757","2020-10-21","18:00:00",""
"2241505","10.231","0.005","7.584","0.003","41.816","0.018","90","","90","","90","","3245","2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","(1<i>Z</i>,2<i>E</i>)-3-phenylprop-2-enal oxime","","- C9 H9 N O -","- C9 H9 N O -","- C144 H144 N16 O16 -","16","2","SU5260","Bugenhagen, Bernhard; Al Soom, Nuha; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","Acta Crystallographica Section E","2015","71","12","o1063","o1064","10.1107/S2056989015023853","","","0.71073","MoKα","","0.0451","0.043","","","0.1118","0.1132","","","","","","1.096","","","","has coordinates,has Fobs","174758","2020-10-21","18:00:00",""
"2241506","20.3677","0.0009","12.1101","0.0005","25.558","0.0012","90","","112.507","0.002","90","","5823.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>''-Benzyl-<i>N</i>''-[3-(benzyldimethylazaniumyl)propyl]-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium bis(tetraphenylborate)","","- C72 H78 B2 N4 -","- C72 H78 B2 N4 -","- C288 H312 B8 N16 -","4","1","RZ5181","Tiritiris, Ioannis; Kantlehner, Willi","Crystal structure of <i>N</i>''-benzyl-<i>N</i>''-[3-(benzyldimethylazaniumyl)propyl]-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2015","71","12","o1086","o1087","10.1107/S2056989015024639","","","0.71073","MoKα","","0.0613","0.0432","","","0.1069","0.1168","","","","","","1.025","","","","has coordinates,has Fobs","174759","2020-10-21","18:00:00",""
"2241507","14.5166","0.0017","15.9102","0.0018","16.0527","0.0018","90","","90","","90","","3707.6","0.7","120","2","119.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Diethylamino)phenol","","- C10 H15 N O -","- C10 H15 N O -","- C160 H240 N16 O16 -","16","2","FF2147","Golen, James A.; McDonald, Kyle J.; Manke, David R.","Crystal structure of 3-(diethylamino)phenol","Acta Crystallographica Section E","2015","71","12","o1075","","10.1107/S2056989015024226","","","1.54178","CuKα","","0.0603","0.0423","","","0.0972","0.1069","","","","","","1.021","","","","has coordinates,has Fobs","174760","2020-10-21","18:00:00",""
"2241508","8.543","0.004","8.543","0.004","39.11","0.02","90","","90","","120","","2472","2","122","2","122","2","","","","","","","","5","R 3 2","R 3 2""","155","","Trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate","","- C22 H51 Co2 N9 O15 -","- C22 H51 Co2 N9 O15 -","- C66 H153 Co6 N27 O45 -","3","","CV5501","Sethi, Waqas; Johannesen, Heini V.; Morsing, Thorbjørn J.; Piligkos, Stergios; Weihe, Høgni","Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate","Acta Crystallographica Section E","2015","71","12","m275","m276","10.1107/S2056989015024664","","","0.71073","MoKα","","0.0225","0.0205","","","0.0472","0.0475","","","","","","0.807","","","","has coordinates,has disorder,has Fobs","174761","2020-10-21","18:00:00",""
"2241509","11.1328","0.0002","13.0756","0.0003","19.0866","0.0004","90","","103.738","0.001","90","","2698.91","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","15-(2-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8<i>a</i>]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one","","- C34 H25 Cl N2 O2 -","- C34 H25 Cl N2 O2 -","- C136 H100 Cl4 N8 O8 -","4","1","IS5437","Joseph, J. M.; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure of 15-(2-chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1',8':1,2,3]pyrrolo[3',2':8,8<i>a</i>]azuleno[5,6-<i>b</i>]quinolin-14(15<i>H</i>)-one","Acta Crystallographica Section E","2015","71","12","o1091","o1092","10.1107/S2056989015024767","","","0.71073","MoKα","","0.0721","0.0489","","","0.1236","0.1389","","","","","","1.045","","","","has coordinates,has Fobs","174762","2020-10-21","18:00:00",""
"2241510","7.6789","0.0004","13.2199","0.0006","12.4129","0.0007","90","","102.561","0.003","90","","1229.93","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-7,8-Dichloro-4-(2-oxopropylidene)-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C12 H10 Cl2 N2 O2 -","- C12 H10 Cl2 N2 O2 -","- C48 H40 Cl8 N8 O8 -","4","1","TK5415","Lahmidi, Sanae; Essaghouani, Abdelhanine; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (<i>Z</i>)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","12","o1059","o1060","10.1107/S2056989015023750","","","0.71073","MoKα","","0.0487","0.0379","","","0.1026","0.1121","","","","","","1.024","","","","has coordinates,has Fobs","174763","2020-10-21","18:00:00",""
"2241511","9.0073","0.0002","12.3856","0.0002","7.5553","0.0001","90","","98.62","0.002","90","","833.35","0.03","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(<i>Z</i>)-4-Methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate","","- C17 H19 N3 S2 -","- C17 H19 N3 S2 -","- C34 H38 N6 S4 -","2","1","","Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.; Omar, Siti Aminah; Begum, Sharifa Zaithun; Tahir, Mohamed I. M.","Crystal structure of (<i>Z</i>)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate","Acta Crystallographica Section E","2015","71","12","o1071","o1072","10.1107/S205698901502407X","","","1.5418","CuKα","","0.0303","0.0303","","","0.0809","0.0809","","","","","","1.048","","","","has coordinates,has Fobs","174764","2020-10-21","18:00:00",""
"2241512","54.177","0.004","13.6929","0.0009","21.9343","0.0014","90","","95.713","0.001","90","","16190.9","1.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''') tetrakis(tetrafluoridoborate) acetonitrile trisolvate","","- C81 H69 B4 F16 N15 Zn2 -","- C81 H69 B4 F16 N15 Zn2 -","- C648 H552 B32 F128 N120 Zn16 -","8","1","","Alexandru, Maria-Gabriela; Dumitru, Florina","Crystal structure of tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')dizinc tetrakis(tetrafluoridoborate) acetonitrile trisolvate","Acta Crystallographica Section E","2015","71","12","m271","m272","10.1107/S205698901502455X","","","0.71073","MoKα","","0.1595","0.1155","","","0.1956","0.2141","","","","","","1.205","","","","has coordinates,has disorder,has Fobs","174765","2020-10-21","18:00:00",""
"2241513","12.1294","0.0004","14.1636","0.0006","15.5934","0.0005","84.081","0.003","72.567","0.002","64.895","0.002","2313.5","0.15","115","2","115","2","","","","","","","","8","P -1","-P 1","2","","Diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate‒18-crown-6 (1/2)","","- C86 H116 F6 Fe K N4 O32 S2 -","- C86 H116 F6 Fe K N4 O32 S2 -","- C86 H116 F6 Fe K N4 O32 S2 -","1","0.5","","Ben Haj Hassen, Leila; Denden, Zouhour; Rousselin, Yoann; Nasri, Habib","Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2015","71","12","m215","m216","10.1107/S2056989015021039","","","0.71073","MoKα","","0.0682","0.0495","","","0.1283","0.1463","","","","","","1.065","","","","has coordinates,has Fobs","174766","2020-10-21","18:00:00",""
"2241514","15.263","0.016","7.745","0.008","20.41","0.02","90","","90","","90","","2413","4","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Bromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H12 Br N -","- C14 H12 Br N -","- C112 H96 Br8 N8 -","8","1","","Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","Crystal structure of 3-bromo-9-ethyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2015","71","12","o1067","o1068","10.1107/S2056989015023907","","","0.71075","MoKα","","","0.0779","","","","0.2364","","","","","","1.054","","","","has coordinates,has Fobs","174767","2020-10-21","18:00:00",""
"2241515","6.8841","0.0001","12.2326","0.0002","20.1911","0.0004","90","","90","","90","","1700.3","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-<i>N</i>-{(<i>E</i>)-methyl[(3a<i>R</i>,8a<i>S</i>)-2-oxo-\ 3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl]-\ λ^4^-sulfanylidene}benzenesulfonamide","","- C18 H18 N2 O4 S2 -","- C18 H18 N2 O4 S2 -","- C72 H72 N8 O16 S8 -","4","1","NK2234","Pereira, Patrícia A.; Noll, Bruce C.; Oliver, Allen G.; Silveira, Gustavo P.","Crystal structure of 4-methyl-<i>N</i>-{(<i>E</i>)-methyl[(3a<i>R</i>,8a<i>S</i>)-2-oxo-3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl]-λ^4^-sulfanylidene}benzenesulfonamide","Acta Crystallographica Section E","2015","71","12","o1097","o1098","10.1107/S2056989015024779","","","1.54178","CuKα","","0.0282","0.028","","","0.0701","0.0703","","","","","","1.113","","","","has coordinates,has Fobs","174768","2020-10-21","18:00:00",""
"2241516","6.3001","0.0017","7.393","0.002","18.159","0.005","91.407","0.007","95.864","0.007","102.695","0.008","819.8","0.4","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","4-Methylsulfanyl-2-(2<i>H</i>-tetrazol-2-yl)pyrimidine","","- C6 H6 N6 S -","- C6 H6 N6 S -","- C24 H24 N24 S4 -","4","2","SU5253","Thomann, Andreas; Huch, Volker; Hartmann, Rolf W.","Crystal structure of 4-methylsulfanyl-2-(2<i>H</i>-tetrazol-2-yl)pyrimidine","Acta Crystallographica Section E","2015","71","12","o1051","o1052","10.1107/S2056989015023634","","","0.71073","MoKα","","0.0502","0.0344","","","0.0783","0.0859","","","","","","1.009","","","","has coordinates,has Fobs","174769","2020-10-21","18:00:00",""
"2300485","6.462","0.002","16.147","0.003","3.988","0.002","90","","90","","90","","416.1","0.3","100","2","100","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pt7 Sc4 Si2 -","- Pt7 Sc4 Si2 -","- Pt14 Sc8 Si4 -","2","0.25","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0358","0.024","","","0.0459","0.0469","","","","","","1.241","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300486","6.447","0.002","16.121","0.003","3.982","0.002","90","","90","","90","","413.9","0.3","100","2","100","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pt7 Sc4 Si2 -","- Pt7 Sc4 Si2 -","- Pt14 Sc8 Si4 -","2","0.25","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0262","0.0257","","","0.0675","0.0678","","","","","","1.286","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300487","9.216","0.002","9.216","0.002","9.216","0.002","90","","90","","90","","782.8","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br0.09 Cl0.91 Cu6 O8 Pb -","- Br0.089 Cl0.911 Cu6 O8 Pb -","- Br0.356 Cl3.644 Cu24 O32 Pb4 -","4","0.0208333","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0235","0.0235","","","0.0497","0.0497","","","","","","1.197","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300488","9.2164","0.0002","9.2164","0.0002","9.2164","0.0002","90","","90","","90","","782.86","0.03","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br0.1 Cl0.9 Cu6 O8 Pb -","- Br0.103 Cl0.897 Cu6 O8 Pb -","- Br0.412 Cl3.588 Cu24 O32 Pb4 -","4","0.0208333","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0196","0.0196","","","0.0451","0.0451","","","","","","1.218","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300489","8.439","0.002","10.559","0.002","13.807","0.003","90","","90","","90","","1230.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0186","0.0136","","","0.0239","0.0248","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300490","8.442","0.002","10.569","0.002","13.816","0.003","90","","90","","90","","1232.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0172","0.015","","","0.0321","0.0326","","","","","","1.175","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300491","3.394","0.002","4.374","0.002","11.995","0.003","90","","90","","90","","178.07","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0172","0.0145","","","0.0314","0.0321","","","","","","1.097","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300492","3.398","0.002","4.377","0.002","12.003","0.003","90","","90","","90","","178.52","0.14","100","2","100","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C8 Co2 Sc6 -","2","0.125","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0121","0.012","","","0.0327","0.0327","","","","","","1.275","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300493","9.601","0.002","8.377","0.002","17.201","0.003","90","","97.35","0.02","90","","1372.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N -","- C16 H13 Br2 N -","- C64 H52 Br8 N4 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0206","0.0187","","","0.0481","0.0488","","","","","","1.067","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300494","9.599","0.002","8.378","0.002","17.194","0.003","90","","97.32","0.02","90","","1371.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N -","- C16 H13 Br2 N -","- C64 H52 Br8 N4 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0211","0.0197","","","0.0535","0.0541","","","","","","1.082","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300495","18.568","0.003","9.504","0.002","21.378","0.003","90","","102.95","0.02","90","","3676.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C120 H184 Br8 Cl8 Co4 N16 Si8 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.026","0.0204","","","0.0485","0.0507","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2300496","18.588","0.002","9.518","0.002","21.403","0.003","90","","102.95","0.02","90","","3690.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C120 H184 Br8 Cl8 Co4 N16 Si8 -","4","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0277","0.0219","","","0.0569","0.0592","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2300497","6.055","0.002","6.055","0.002","6.055","0.002","90","","90","","90","","221.99","0.13","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","germanium bismuth telluride","","","- Bi1.09 Ge2.37 Te4 -","- Bi1.088 Ge2.368 Te4 -","- Bi1.088 Ge2.368 Te4 -","1","0.00520833","","Urban, Philipp; Simonov, Arkadiy; Weber, Thomas; Oeckler, Oliver","Real structure of Ge4Bi2Te7: refinement on diffuse scattering data with the 3D-ΔPDF method","Journal of Applied Crystallography","2015","48","1","200","","10.1107/S1600576714027824","","x-ray","0.47686","synchrotron","","0.0181","0.0156","","","0.0183","0.0191","","","","","","1.35","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300498","5.6085","0.0003","5.6085","0.0003","6.9183","0.0006","90","","90","","120","","188.46","0.02","10","","10","","","","","","","","","4","R 3 m :H","R 3 -2""","160","Sodium Potassium Niobate oxide","Sodium Potassium Niobate oxide","","- K0.5 Na0.5 Nb O3 -","- K0.5 Na0.5 Nb O3 -","- K1.5 Na1.5 Nb3 O9 -","3","0.166667","NB5132","Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.","Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~","Journal of Applied Crystallography","2015","48","2","","","10.1107/S1600576715000941","powder diffraction","","2.52277","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.3147","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300499","3.9443","0.0003","5.6425","0.0006","5.6763","0.0006","90","","90","","90","","126.33","0.02","295","","295","","","","","","","","","4","A m m 2","A 2 -2","38","Sodium Potassium Niobate oxide","Sodium Potassium Niobate oxide","","- K0.5 Na0.5 Nb O3 -","- K0.5 Na0.5 Nb O3 -","- K Na Nb2 O6 -","2","0.25","NB5132","Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.","Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~","Journal of Applied Crystallography","2015","48","2","","","10.1107/S1600576715000941","powder diffraction","","1.54056","CuKα","","","","","","","","","20.2129","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300501","17.822","0.012","4.85","0.003","19.783","0.014","90","","102.37","0.009","90","","1670.3","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C56 H80 N16 O16 -","8","1","","Graiff, Claudia; Pontiroli, Daniele; Bergamonti, Laura; Cavallari, Chiara; Lottici, Pier Paolo; Predieri, Giovanni","Structural investigation of <i>N</i>,<i>N</i>'-methylenebisacrylamide <i>via</i> X-ray diffraction assisted by crystal structure prediction","Journal of Applied Crystallography","2015","48","2","550","557","10.1107/S1600576715004161","","","0.71073","MoKα","","0.1233","0.0738","","","0.1983","0.2281","","","","","","0.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300502","12.6105","0.0006","7.6858","0.0003","15.9256","0.0007","90","","106.541","0.001","90","","1479.66","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O7 -","- C13 H15 Co N2 O7 -","- C52 H60 Co4 N8 O28 -","4","1","","Cox, Jordan M.; Walton, Ian M.; Benson, Cassidy A.; Chen, Yu-Sheng; Benedict, Jason B.","A versatile environmental control cell for <i>in situ</i> guest exchange single-crystal diffraction","Journal of Applied Crystallography","2015","48","2","578","581","10.1107/S160057671500432X","","x-ray","0.41328","","","0.0933","0.0872","","","0.2223","0.2344","","","","","","1.221","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2300503","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Chen, Qibin; Yao, Junyao; Hu, Xin; Shen, Jincheng; Sheng, Yujie; Liu, Honglai","Monolayer effect of a gemini surfactant with a rigid biphenyl spacer on its self-crystallization at the air/liquid interface","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715004938","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2300504","10.157","","9.246","","7.03","","90","","105.9","","90","","634.94","","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Magnesium Molybdate","","- Mg Mo O4 -","- Mg Mo O4 -","- Mg8 Mo8 O32 -","8","1","","Gemmi, Mauro; La Placa, Maria G. I.; Galanis, Athanassios S.; Rauch, Edgar F.; Nicolopoulos, Stavros","Fast electron diffraction tomography","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715004604","","electron","0.0335","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"2300505","5.9038","0.0004","10.7455","0.0008","19.4895","0.0011","90","","90.263","0.002","90","","1236.39","0.14","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.0555","0.0421","","","0.111","0.1164","","","","","","0.986","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300506","6.8524","0.0003","11.9655","0.0005","17.3274","0.0008","90","","99.678","0.0011","90","","1400.5","0.11","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl6 N2 O4 -","- C24 H22 Cl6 N2 O4 -","- C48 H44 Cl12 N4 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.099","0.0592","","","0.1657","0.1826","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","136478","2020-10-21","18:00:00",""
"2300507","13.2363","0.0009","11.765","0.0008","17.6353","0.0009","90","","103.281","0.001","90","","2672.8","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C104 H112 N8 O20 -","4","1","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.1243","0.1015","","","0.2874","0.3038","","","","","","1.109","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300508","12.8209","0.0009","7.0395","0.0004","14.7623","0.0007","90","","96.82","0.003","90","","1322.91","0.14","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N4 O4 -","- C32 H28 N4 O4 -","- C64 H56 N8 O8 -","2","0.5","","Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng","Supramolecular organic frameworks of a Schiff base showing selective guest adsorption","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715005889","","","0.71073","MoKα","","0.1084","0.0727","","","0.1769","0.1953","","","","","","1.049","","","","has coordinates,has Fobs","136478","2020-10-21","18:00:00",""
"2300509","9.0136","0.0012","21.5","0.003","4.7005","0.0006","90","","90","","90","","910.9","0.2","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H9 N3 O6 -","- C6 H9 N3 O6 -","- C24 H36 N12 O24 -","4","1","","Prasad, A. Aditya; Meenakshisundaram, S. P.","Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate","Journal of Applied Crystallography","2015","48","3","","","10.1107/S1600576715006445","","x-ray","0.71073","MoKα","","0.05","0.0392","","","0.0756","0.0833","","","","","","1.027","","","","has coordinates,has Fobs","137268","2020-10-21","18:00:00",""
"2300513","16.589","0.0012","10.9575","0.0008","16.6795","0.0011","90","","113.623","0.002","90","","2777.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O2 -","- C32 H39 N O2 -","- C128 H156 N4 O8 -","4","1","","Sharma, Ranjana; Prasher, Dixit; Tiwari, R. K.","Crystal structure analysis of ebastine [4-(4-benzhydryloxy-1-piperidyl)-1-(4-<i>tert</i>-butylphenyl) butan-1-one]: an oral histamine antagonist","Journal of Applied Crystallography","2015","48","4","","","10.1107/S160057671501050X","","","0.71073","MoKα","","0.0849","0.0496","","","0.1319","0.1549","","","","","","1.029","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2300556","3.26061","0.00008","3.26061","0.00008","17.00619","0.00089","90","","90","","120","","156.58","0.01","295","","295","","","","","","","","","4","R -3 m :H","-R 3 2""","166","NiCl(OH); 1 Ni(OH)2 1 NiCl2","","","- Cl H Ni O -","- Cl Ni O -","- Cl3 Ni3 O3 -","3","0.0833333","","Bette, Sebastian; Dinnebier, Robert E.; Freyer, Daniela","Structure solution and refinement of stacking-faulted NiCl(OH)","Journal of Applied Crystallography","2015","48","6","","","10.1107/S1600576715017719","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.02","","1.889","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2300557","7.763","0.0001","8.7109","0.0001","10.8701","0.0001","90","","102.937","0.001","90","","716.407","0.014","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","sucrose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Dmitrienko, Artem O.; Bushmarinov, Ivan S.","Reliable structural data from Rietveld refinements <i>via</i> restraint consistency","Journal of Applied Crystallography","2015","48","6","","","10.1107/S1600576715018233","","x-ray","0.71073","MoKα","","0.0823","0.0411","","","0.092","0.11","","","","","","0.971","","","","has coordinates,has Fobs","169912","2020-10-21","18:00:00",""
"2300558","5.1731","0.0005","3.3381","0.0005","5.6049","0.0007","90","","90","","90","","96.79","0.02","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.5","","Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka","The equation of state of the <i>Pmmn</i> phase of NiSi","Journal of Applied Crystallography","2015","48","6","1914","1920","10.1107/S1600576715020087","powder diffraction","x-ray","0.3738","","","","","","","","","","","0.61","","","","","","","has coordinates","170610","2020-10-21","18:00:00",""
"2300559","13.5559","0.0013","12.2134","0.0012","12.6643","0.0012","90","","118.834","0.0017","90","","1836.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0435","0.0396","","","0.1081","0.1113","","","","","","1.093","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300560","13.5537","0.0016","12.2132","0.0015","12.6619","0.0015","90","","118.836","0.002","90","","1836.1","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0428","0.0393","","","0.107","0.1105","","","","","","1.097","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300561","13.5559","0.0013","12.2134","0.0012","12.6643","0.0012","90","","118.834","0.0017","90","","1836.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0463","0.0429","","","0.1237","0.1265","","","","","","1.115","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300562","8.896","0.002","6.913","0.0019","16.439","0.005","90","","98.29","0.003","90","","1000.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0357","0.0338","","","0.0943","0.0963","","","","","","1.087","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300563","8.884","0.0012","6.9036","0.0009","16.421","0.002","90","","98.241","0.002","90","","996.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0362","0.0338","","","0.0966","0.0992","","","","","","1.084","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300564","8.896","0.002","6.913","0.0019","16.439","0.005","90","","98.29","0.003","90","","1000.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 N4 -","- C12 H4 N4 -","- C48 H16 N16 -","4","0.5","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0377","0.036","","","0.1059","0.1075","","","","","","1.09","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300565","9.7935","0.0007","19.0055","0.0013","18.2997","0.0013","90","","94.7996","0.0011","90","","3394.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0328","0.026","","","0.0619","0.065","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300566","9.7936","0.0007","18.9973","0.0012","18.2982","0.0012","90","","94.84","0.001","90","","3392.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.038","0.0276","","","0.0642","0.0681","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300567","9.7935","0.0007","19.0055","0.0013","18.2997","0.0013","90","","94.7996","0.0011","90","","3394.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu O6 -","- C18 H17 Cu O6 -","- C144 H136 Cu8 O48 -","8","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0342","0.0273","","","0.0676","0.0704","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","170611","2020-10-21","18:00:00",""
"2300568","11.3068","0.0012","14.9595","0.0016","16.7252","0.0017","90","","93.05","0.0015","90","","2825","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0475","0.0399","","","0.103","0.1091","","","","","","1.017","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300569","11.3182","0.0014","14.9745","0.0018","16.744","0.002","90","","93.044","0.002","90","","2833.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0499","0.0403","","","0.1046","0.1112","","","","","","1.034","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300570","11.3068","0.0012","14.9595","0.0016","16.7252","0.0017","90","","93.05","0.0015","90","","2825","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Mg N4 O4 -","- C34 H26 Mg N4 O4 -","- C136 H104 Mg4 N16 O16 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0483","0.0407","","","0.109","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300571","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0256","0.0249","","","0.0661","0.0668","","","","","","1.078","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300572","5.9641","0.0002","9.0419","0.0002","18.4027","0.0005","90","","90","","90","","992.4","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0261","0.0252","","","0.0667","0.0674","","","","","","1.105","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300573","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0262","0.0254","","","0.0674","0.068","","","","","","1.089","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300574","10.215","0.002","12.322","0.002","17.351","0.003","101.57","0.02","91.25","0.02","112.02","0.02","1972.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.02","0.02","","","","0.021","","","","","","1.398","","","","has coordinates","170611","2020-10-21","18:00:00",""
"2300575","10.215","0.002","12.322","0.002","17.351","0.003","101.57","0.02","91.25","0.02","112.02","0.02","1972.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.021","0.021","","","","0.025","","","","","","1.67","","","","has coordinates","170611","2020-10-21","18:00:00",""
"2300588","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.019","","","","0.033","","","","","","2.71","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300589","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.016","","","","0.033","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300590","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.018","","","","0.035","","","","","","3.156","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300591","10.6769","0.0005","10.6769","0.0005","24.6539","0.0012","90","","90","","120","","2433.9","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.02","0.017","","","","0.034","","","","","","3.015","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300592","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","15","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.036","","","","","","2.024","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300593","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.013","","","","0.024","","","","","","2.671","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300594","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.028","","","","","","3.38","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300595","10.6712","0.0005","10.6712","0.0005","24.6546","0.0012","90","","90","","120","","2431.4","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.016","0.014","","","","0.024","","","","","","2.988","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300596","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.036","","","","","","2.139","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300597","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.015","","","","0.034","","","","","","2.155","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300598","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.016","","","","0.035","","","","","","2.408","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300599","10.6434","0.0005","10.6434","0.0005","24.6108","0.0012","90","","90","","120","","2414.4","0.2","15","2","15","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Mg3 N36 -","- C32 H42 Mg0.5001 N12 -","- C96 H126 Mg1.5003 N36 -","3","0.166667","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.015","","","","0.034","","","","","","2.331","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300600","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.017","","","","0.03","","","","","","2.003","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300601","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.021","0.015","","","","0.027","","","","","","1.859","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300602","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.023","0.017","","","","0.027","","","","","","2.076","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300603","10.225","0.002","12.336","0.003","17.371","0.004","101.58","0.03","91.21","0.04","111.99","0.04","1979.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.022","0.016","","","","0.026","","","","","","1.998","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300604","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.03","1974.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.013","","","","0.022","","","","","","1.729","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300605","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.03","1974.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.012","","","","0.022","","","","","","1.614","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2300606","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.03","1974.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.018","0.014","","","","0.024","","","","","","1.884","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300607","10.223","0.002","12.326","0.002","17.357","0.003","101.55","0.02","91.23","0.02","112.05","0.03","1974.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.017","0.013","","","","0.022","","","","","","1.772","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300608","10.213","0.002","12.29","0.002","17.335","0.003","101.62","0.03","91.37","0.002","112.09","0.03","1962.9","0.8","15","2","15","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.025","0.018","","","","0.03","","","","","","1.27","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300609","10.213","0.002","12.29","0.002","17.335","0.003","101.62","0.03","91.37","0.002","112.09","0.03","1962.9","0.8","15","2","15","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.025","0.018","","","","0.028","","","","","","1.297","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2300610","10.213","0.002","12.29","0.002","17.335","0.003","101.62","0.03","91.37","0.002","112.09","0.03","1962.9","0.8","15","2","15","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 P S -","- C26 H19 P S -","- C104 H76 P4 S4 -","4","2","","Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar","Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering","Journal of Applied Crystallography","2015","48","5","1485","1497","10.1107/S1600576715014934","","","0.71073","MoKα","","0.025","0.018","","","","0.028","","","","","","1.286","","","","has coordinates,has Fobs","174899","2020-10-21","18:00:00",""
"2310149","34.346","0.002","15.114","0.0009","32.5502","0.0019","90","","103.415","0.0013","90","","16436","1.7","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.41 H53.29 I6 N12 O2.44 Zn3 -","- C60.41 H53.292 I6 N12 O2.441 Zn3 -","- C483.28 H426.336 I48 N96 O19.528 Zn24 -","8","1","PC5042","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41317","synchrotron","","0.0943","0.069","","","0.2093","0.2588","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310150","34.936","0.003","14.9785","0.0013","30.825","0.003","90","","102.857","0.0017","90","","15726","2","100","","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.61 H47.39 Cl2.1 I6 N12 Zn3 -","- C55.615 H47.398 Cl2.1 I6 N12 Zn3 -","- C444.92 H379.184 Cl16.8 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41321","synchrotron","","0.0914","0.0852","","","0.2321","0.2392","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2310151","34.966","0.003","14.8683","0.0014","66.99","0.006","90","","104.191","0.001","90","","33764","5","100","2","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C411.01 H417.06 Cl1.65 I47.98 N96 O20.41 Zn23.99 -","- C410.998 H417.038 Cl1.65 I47.954 N96 O20.408 Zn23.977 -","- C821.996 H834.076 Cl3.3 I95.908 N192 O40.816 Zn47.954 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41347","synchrotron","","0.0825","0.0619","","","0.175","0.1909","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310152","34.655","0.003","14.7307","0.0014","31.081","0.003","90","","101.031","0.002","90","","15573","3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.44 H25.44 Cl4.32 I6 N12 Zn3 -","- C37.44 H25.44 Cl4.32 I6 N12 Zn3 -","- C299.52 H203.52 Cl34.56 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method","Acta Crystallographica Section A","2015","71","1","","","10.1107/S2053273314019573","","","0.41333","synchrotron","","0.1337","0.0937","","","0.2816","0.3384","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2310153","8.4454","0.0004","10.9223","0.0006","18.4436","0.0011","90.268","0.003","94.002","0.003","106.255","0.002","1628.78","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","Pigment Yellow 181 Dimethylsulfoxide <i>N</i>-methyl-2-Pyrrolidone Solvate","","","- C32 H36 N8 O7 S -","- C32 H36 N8 O7 S -","- C64 H72 N16 O14 S2 -","2","1","ZB5045","van de Streek, Jacco","Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","89","94","10.1107/S2052520615000724","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.5725","1.428","","","","","","","has coordinates,has Fobs","201405","2020-10-21","18:00:00",""
"2310154","8.5197","0.0004","42.461","0.002","16.293","0.008","83.351","0.002","90.958","0.002","84.275","0.002","5823","3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- As39.51 Pb6.13 S136 Sb41.51 Tl16.85 -","- As39.505 Pb6.133 S136 Sb41.512 Tl16.85 -","- As39.505 Pb6.133 S136 Sb41.512 Tl16.85 -","1","1","BP5073","Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude","Structure of Pb-rich chabournéite from Jas Roux, France.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","81","88","10.1107/S2052520614028157","","","0.71073","MoKα","","0.1529","0.0742","","","0.1713","0.2031","","","","","","1.073","","","","has coordinates,has Fobs","201406","2020-10-21","18:00:00",""
"2310155","13.376","0.002","20.111","0.003","19.878","0.003","90","","90.003","0.002","90","","5347.3","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.6 O49.2 Si24 -","- C0.58 O49.16 Si24 -","- C2.32 O196.64 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.1949","0.0923","","","0.1521","0.1855","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310156","13.383","0.003","20.118","0.004","19.887","0.004","90","","90.049","0.003","90","","5354.4","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.14 O48.27 Si24 -","- C0.137 O48.274 Si24 -","- C0.548 O193.096 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.1521","0.0583","","","0.1278","0.159","","","","","","0.915","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310157","13.388","0.002","20.132","0.003","19.902","0.003","90","","90.04","0.002","90","","5364.1","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.6 O49.2 Si24 -","- C0.591 O49.182 Si24 -","- C2.364 O196.728 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.1617","0.0534","","","0.0959","0.1219","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310158","13.383","0.003","20.121","0.004","19.881","0.004","90","","90.057","0.003","90","","5353.5","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.1 O50.2 Si24 -","- C1.112 O50.224 Si24 -","- C4.448 O200.896 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.1511","0.0739","","","0.1453","0.1723","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310159","13.386","0.002","20.106","0.003","19.881","0.003","90","","90.02","0.002","90","","5350.8","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.1 O48.5 Si24 -","- C1.074 O48.537 Si24 -","- C4.296 O194.148 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.1431","0.0554","","","0.1291","0.1478","","","","","","0.822","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310160","13.381","0.002","20.107","0.004","19.875","0.004","90","","90.023","0.003","90","","5347.4","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 O49 Si24 -","- C1.956 O48.978 Si24 -","- C7.824 O195.912 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.161","0.0588","","","0.1167","0.1391","","","","","","0.838","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310161","13.383","0.002","20.108","0.003","19.877","0.003","90","","90.003","0.002","90","","5349","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.4 O48.2 Si24 -","- C0.348 O48.174 Si24 -","- C1.392 O192.696 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.0742","0.0604","","","0.1817","0.1982","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310162","13.385","0.002","20.11","0.003","19.881","0.003","90","","90.041","0.002","90","","5351.4","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.5 O48.2 Si24 -","- C0.48 O48.24 Si24 -","- C1.92 O192.96 Si96 -","4","1","BP5072","Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","112","118","10.1107/S2052520615000256","","","0.71073","MoKα","","0.0683","0.0591","","","0.1777","0.1915","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","201406","2020-10-21","18:00:00",""
"2310163","7.739","0.0001","12.803","0.0002","5.829","0.0001","90","","90","","90","","577.551","0.015","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Ca O12 -","- C4 H16 Ca O12 -","- C8 H32 Ca2 O24 -","2","0.5","BP5075","Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida","Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","1","68","73","10.1107/S2052520614027516","","","0.71073","MoKα","","0.0228","0.0214","","","0.0709","0.0748","","","","","","0.68","","","","has coordinates,has Fobs","201406","2020-10-21","18:00:00",""
"2310766","12.372","0.0002","3.7649","0.0005","16.831","0.002","90","","107.789","0.007","90","","746.49","0.14","139","","139","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","DK5030","Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas","Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","228","234","10.1107/S2052520615004084","","x-ray","0.56","synchrotron","","0.072","0.0449","","","0.0677","0.0713","","","","2.78","2.78","2.08","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310767","12.2774","","3.9006","","5.4091","","90","","90","","90","","259.038","","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.041 O10.479 Si0.959 Sr4 -","- B3.0416 O10.4776 Si0.958 Sr4 -","- B3.0416 O10.4776 Si0.958 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71073","MoKα","","0.2015","0.0765","","","0.0772","0.0907","","","","","","2.34","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310768","12.178","0.002","3.8801","0.0008","5.387","0.0011","90","","90","","90","","254.55","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.376 O10.312 Si0.624 Sr4 -","- B3.376 O10.312 Si0.624 Sr4 -","- B3.376 O10.312 Si0.624 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71069","MoKα","","0.1756","0.0605","","","0.0607","0.0677","","","","","","2.35","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310769","12.089","","3.8635","","5.378","","90","","90","","90","","251.184","","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3.704 O10.148 Si0.296 Sr4 -","- B3.704 O10.148 Si0.296 Sr4 -","- B3.704 O10.148 Si0.296 Sr4 -","1","0.125","DK5034","Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav","Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","5","489","497","10.1107/S2052520615011713","","","0.71069","MoKα","","0.2089","0.0806","","","0.0758","0.083","","","","","","2.64","","","","has coordinates","201365","2020-10-21","18:00:00",""
"2310780","3.93492","0.00013","3.93193","0.0001","4.00171","0.00014","90","","92.603","0.003","90","","61.85","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.097 Fe1.049 O2.585 Pb0.856 -","- Bi0.0974 Fe1.0493 O2.5854 Pb0.85564 -","- Bi0.0974 Fe1.0493 O2.5854 Pb0.85564 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0396","0.0386","","0.05","0.0499","","","","2.51","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310781","3.92822","0.00013","3.92661","0.0001","4.05202","0.00014","90","","92.209","0.003","90","","62.454","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.195 Fe1.046 O2.633 Pb0.763 -","- Bi0.1948 Fe1.04646 O2.63256 Pb0.76282 -","- Bi0.1948 Fe1.04646 O2.63256 Pb0.76282 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0406","0.04","","0.0555","0.0554","","","","2.38","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310782","3.92131","0.00011","3.91951","0.00009","4.09255","0.00013","90","","91.913","0.002","90","","62.866","0.003","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.292 Fe1.042 O2.675 Pb0.671 -","- Bi0.292 Fe1.0416 O2.6753 Pb0.67088 -","- Bi0.292 Fe1.0416 O2.6753 Pb0.67088 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0498","0.0492","","0.0636","0.0636","","","","2.41","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310783","3.9146","0.00013","3.91271","0.0001","4.13775","0.00016","90","","91.554","0.003","90","","63.353","0.004","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.428 Fe1.034 O2.736 Pb0.541 -","- Bi0.4284 Fe1.03352 O2.73568 Pb0.54124 -","- Bi0.4284 Fe1.03352 O2.73568 Pb0.54124 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0528","0.0521","","0.0582","0.0581","","","","2.06","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310784","3.90908","0.00015","3.90585","0.00012","4.16564","0.00017","90","","91.318","0.003","90","","63.585","0.004","900","","900","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- Bi0.545 Fe1.027 O2.783 Pb0.428 -","- Bi0.5452 Fe1.02668 O2.7832 Pb0.42826 -","- Bi0.5452 Fe1.02668 O2.7832 Pb0.42826 -","1","0.125","DQ5010","Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke","Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","2","127","143","10.1107/S2052520615005466","powder diffraction","neutron","1.8857","","","0.0578","0.0555","","0.0713","0.0712","","","","2.44","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310785","7.5911","","7.6924","","2.8899","","90","","90","","90","","168.752","","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al4.8 O9.6 Si1.2 -","- Al4.8148 O9.5926 Si1.1852 -","- Al4.8148 O9.5926 Si1.1852 -","1","0.125","WF5116","Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.","The modulated average structure of mullite.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","3","358","368","10.1107/S205252061500757X","","x-ray","0.71073","MoKα","","0.0461","0.0277","","","0.0558","0.0572","","","","3.82","3.82","3.01","","","","has coordinates","201373","2020-10-21","18:00:00",""
"2310786","7.5757","","7.6651","","2.885","","90","","90","","90","","167.528","","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al4.78 O9.61 Si1.22 -","- Al4.76 O9.62 Si1.2 -","- Al4.76 O9.62 Si1.2 -","1","0.125","WF5116","Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.","The modulated average structure of mullite.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2015","71","3","358","368","10.1107/S205252061500757X","","neutron","1.0408","X-ray","","0.0504","0.0497","","","0.0668","0.0671","","","","2.68","2.68","2.68","","","","has coordinates","201373","2020-10-21","18:00:00",""
"2311042","5.62","","5.62","","5.62","","90","","90","","90","","177.504","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sodium chloride","","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Juhás, Pavol; Farrow, Christopher L.; Yang, Xiaohao; Knox, Kevin R.; Billinge, Simon J. L.","Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems","Acta Crystallographica Section A","2015","71","6","562","568","10.1107/S2053273315014473","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","169984","2020-10-21","18:00:00",""
"2311272","7.2223","0.0019","10.483","0.003","17.327","0.004","90","","109.573","0.017","90","","1236","0.6","5","2","5","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium selenate enneahydrate","hexaaquamagnesium(II) selenate trihydrate","","- H18 Mg O13 Se -","- H18 Mg O13 Se -","- H72 Mg4 O52 Se4 -","4","1","EB5038","Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.","Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 3","313","327","10.1107/S2052520615006824","","","","neutron","","0.0889","0.0889","","","0.2375","0.2375","","","","","","1.103","","","","has coordinates","245748","2020-10-21","18:00:00",""
"2311273","7.2264","0.0019","10.487","0.003","17.33","0.004","90","","109.579","0.017","90","","1237.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium selenate enneahydrate","hexaaquamagnesium(II) selenate trihydrate","","- H18 Mg O13 Se -","- H18 Mg O13 Se -","- H72 Mg4 O52 Se4 -","4","1","EB5038","Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.","Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 3","313","327","10.1107/S2052520615006824","","","","neutron","","0.0885","0.0885","","","0.2407","0.2407","","","","","","1.111","","","","has coordinates","245748","2020-10-21","18:00:00",""
"2311274","7.2389","0.0019","10.497","0.003","17.349","0.004","90","","109.522","0.018","90","","1242.5","0.6","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium selenate enneahydrate","hexaaquamagnesium(II) selenate trihydrate","","- H18 Mg O13 Se -","- H18 Mg O13 Se -","- H72 Mg4 O52 Se4 -","4","1","EB5038","Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.","Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 3","313","327","10.1107/S2052520615006824","","","","neutron","","0.0882","0.0882","","","0.2421","0.2421","","","","","","1.129","","","","has coordinates","245748","2020-10-21","18:00:00",""
"2311275","7.2604","0.0018","10.502","0.003","17.388","0.004","90","","109.423","0.017","90","","1250.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium selenate enneahydrate","hexaaquamagnesium(II) selenate trihydrate","","- H18 Mg O13 Se -","- H18 Mg O13 Se -","- H72 Mg4 O52 Se4 -","4","1","EB5038","Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J.","Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 3","313","327","10.1107/S2052520615006824","","","","neutron","","0.0886","0.0886","","","0.2408","0.2408","","","","","","1.102","","","","has coordinates","245748","2020-10-21","18:00:00",""
"2311278","9.965","0.002","10.982","0.002","16.926","0.003","90","","90","","90","","1852.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,7,8,9-Tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C17 H12 Cl4 F N O4 -","- C17 H12 Cl4 F N O4 -","- C68 H48 Cl16 F4 N4 O16 -","4","1","HB7331","Zhong, Jia-Liang; Hou, Jia-Wei; Liu, Li-Hong; Liu, He","Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 1","o32","","10.1107/S2056989014026279","","","0.71073","MoKα","","0.0679","0.0456","","","0.0928","0.1008","","","","","","1","","","","has coordinates","245751","2020-10-21","18:00:00",""
"2311279","8.25131","0.0001","11.85605","0.00014","12.9415","0.00015","90","","90","","90","","1266.04","0.03","99.8","0.4","99.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)trichlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(III)","","- C10 H15 Cl3 Ir N -","- C10 H15 Cl3 Ir N -","- C40 H60 Cl12 Ir4 N4 -","4","1","PK2547","Morris, David M.; Merola, Joseph S.","Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","371","373","10.1107/S2056989015004855","","","0.71073","MoKα","","0.0206","0.0188","","","0.0368","0.0375","","","","","","1.081","","","","has coordinates","245752","2020-10-21","18:00:00",""
"2311280","6.8656","0.0005","12.6428","0.0008","7.0931","0.0005","90","","110.579","0.008","90","","576.4","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","i>cis</i>-Diamminebis(nitrito-κ<i>N</i>)platinum(II)","","- H6 N4 O4 Pt -","- H6 N4 O4 Pt -","- H24 N16 O16 Pt4 -","4","1","WM5133","Kahlenberg, Volker; Gelbrich, Thomas; Tessadri, Richard; Klauser, Frederik","Crystal structure of cis-diamminebis(nitrito-κN)platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","366","370","10.1107/S2056989015004879","","","0.71073","MoKα","","0.0207","0.0182","","","0.0427","0.0442","","","","","","1.045","","","","has coordinates","245753","2020-10-21","18:00:00",""
"2311281","19.347","0.005","5.9339","0.0012","13.165","0.002","90","","122.266","0.008","90","","1278","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1<i>E</i>,1'<i>E</i>)-<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine]","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","0.5","SU5142","Abdoh, Muneer; Warad, Ismail; Naveen, S.; Lokanath, N. K.; Salghi, Rachid","Crystal structure of (1E,1'E)-N,N'-(ethane-1,2-di-yl)bis-[(pyridin-2-yl)methanimine].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 6","o431","","10.1107/S2056989015010087","","","1.54178","CuKα","","0.0438","0.0425","","","0.1188","0.1203","","","","","","1.054","","","","has coordinates","245754","2020-10-21","18:00:00",""
"2311282","8.1035","0.0004","12.0193","0.0005","15.1312","0.0007","90","","94.347","0.002","90","","1469.52","0.12","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Thiophen-2-yl)-5-<i>p</i>-tolyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","5-(4-Methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C15 H15 N3 S2 -","- C15 H15 N3 S2 -","- C60 H60 N12 S8 -","4","1","SU5147","Naveen, S.; Pavithra, G.; Abdoh, Muneer; Ajay Kumar, K.; Warad, Ismail; Lokanath, N. K.","Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","763","765","10.1107/S2056989015010774","","","1.54178","CuKα","","0.0481","0.0463","","","0.1247","0.1268","","","","","","1.07","","","","has coordinates","245755","2020-10-21","18:00:00",""
"2311283","7.754","0.002","11.346","0.003","21.187","0.006","90","","90","","90","","1864","0.9","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-2-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","LH5765","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o474","","10.1107/S2056989015010865","","","0.71073","MoKα","","0.1347","0.0626","","","0.1465","0.1843","","","","","","1.025","","","","has coordinates","245756","2020-10-21","18:00:00",""
"2311284","7.8835","0.001","14.4041","0.0019","15.231","0.002","90","","94.94","0.004","90","","1723.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C17 H18 N2 O3 S2 -","- C17 H18 N2 O3 S2 -","- C68 H72 N8 O12 S8 -","4","1","HB7433","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio-phen-2-yl)-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o477","8","10.1107/S2056989015010981","","","0.71073","MoKα","","0.1076","0.0647","","","0.1708","0.1892","","","","","","0.998","","","","has coordinates","245757","2020-10-21","18:00:00",""
"2311285","20.6017","0.0014","6.1461","0.0004","25.9689","0.0016","90","","94.332","0.004","90","","3278.8","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3-Amino-1-(4-methoxyphenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","HG5445","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o468","9","10.1107/S2056989015011020","","","1.54178","CuKα","","0.0416","0.0409","","","0.1152","0.1161","","","","","","1.033","","","","has coordinates","245758","2020-10-21","18:00:00",""
"2311286","10.056","0.007","6.172","0.003","12.751","0.006","90","","99.641","0.017","90","","780.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Amino-1-(4-chlorophenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C40 H26 Cl2 N4 O2 -","2","1","SJ5465","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-chloro-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o481","2","10.1107/S2056989015011159","","","1.54178","CuKα","","0.028","0.0276","","","0.0748","0.075","","","","","","1.06","","","","has coordinates","245759","2020-10-21","18:00:00",""
"2311287","9.1662","0.0001","5.7246","0.0001","13.9177","0.0002","90","","90.153","0.001","90","","730.298","0.018","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-4-phenyl-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5369","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o516","7","10.1107/S2056989015011536","","","1.54178","CuKα","","0.0329","0.0314","","","0.0926","0.0928","","","","","","1.092","","","","has coordinates","245760","2020-10-21","18:00:00",""
"2311288","8.3444","0.0003","9.3508","0.0004","12.2723","0.0005","104.079","0.002","97.282","0.002","93.904","0.002","916.43","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","HB7449","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o514","5","10.1107/S2056989015011706","","","1.54178","CuKα","","0.0446","0.0387","","","0.1107","0.1171","","","","","","1.04","","","","has coordinates,has disorder","245761","2020-10-21","18:00:00",""
"2311289","19.3941","0.0005","12.711","0.0003","10.145","0.0003","90","","103.306","0.002","90","","2433.79","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(<i>E</i>)-({2-[3-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)propoxy]phenyl}methylidene)amino]thiourea","","- C19 H22 N6 O2 S2 -","- C19 H22 N6 O2 S2 -","- C76 H88 N24 O8 S8 -","4","0.5","HB7453","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o530","1","10.1107/S2056989015012074","","","1.54178","CuKα","","0.051","0.0397","","","0.1041","0.1116","","","","","","1.058","","","","has coordinates","245762","2020-10-21","18:00:00",""
"2311290","7.616","0.0004","8.3267","0.0005","13.9011","0.0007","84.999","0.002","77.631","0.001","74.347","0.002","828.75","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vortioxetine","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine","","- C18 H22 N2 S -","- C18 H22 N2 S -","- C36 H44 N4 S2 -","2","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1086","0.0563","","","0.1269","0.1852","","","","","","1.002","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311291","13.21","0.0007","18.15","0.0009","8.1746","0.0004","90","","104.378","0.002","90","","1898.57","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine methanol monosolvate","","- C19 H26 N2 O S -","- C19 H26 N2 O S -","- C76 H104 N8 O4 S4 -","4","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1056","0.0524","","","0.1186","0.1559","","","","","","1","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311292","12.4859","0.0017","14.3697","0.0019","7.732","0.001","90","","90","","90","","1387.3","0.3","120","2","120.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","2,6-Dimethyl-4-pyridone hemihydrate","2,6-Dimethyl-1<i>H</i>-pyridin-4-one hemihydrate","","- C7 H10 N O1.5 -","- C7 H10 N O1.5 -","- C56 H80 N8 O12 -","8","1","FF2139","Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o533","","10.1107/S2056989015012402","","","1.54178","CuKα","","0.0306","0.0304","","","0.078","0.0782","","","","","","1.092","","","","has coordinates","245764","2020-10-21","18:00:00",""
"2311293","18.3084","0.0013","6.0743","0.0004","24.5339","0.0017","90","","106.471","0.002","90","","2616.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-7-hydroxy-4-(4-hydroxyphenyl)-4<i>H</i>-chromene-3-carbonitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","XU5857","Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o546","7","10.1107/S2056989015012815","","","0.71075","MoKα","","0.0416","0.0341","","","0.0873","0.0905","","","","","","1.061","","","","has coordinates","245765","2020-10-21","18:00:00",""
"2311294","12.577","0.0002","5.7977","0.0001","14.839","0.0003","90","","94.679","0.002","90","","1078.42","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(bromoacetyl)-6-chloro-2H-chromen-2-one","3-Bromoacetyl-6-chloro-2<i>H</i>-1-benzopyran-2-one","","- C11 H6 Br Cl O3 -","- C11 H6 Br Cl O3 -","- C44 H24 Br4 Cl4 O12 -","4","1","LH5773","Chennuru, Ramanaiah; Maddimsetti, Balaji; Gundlapalli, Suman; Babu, R. Ravi Chandra; Mahapatra, Sudarshan","Crystal structure of 3-bromo-acetyl-6-chloro-2H-1-benzo-pyran-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o615","6","10.1107/S2056989015012955","","","0.71073","MoKα","","0.0451","0.0303","","","0.0734","0.0762","","","","","","0.954","","","","has coordinates","245766","2020-10-21","18:00:00",""
"2311295","13.0977","0.0009","7.4932","0.0004","14.1123","0.0009","90","","90.149","0.005","90","","1385.03","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2<i>H</i>)-one","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","RZ5163","Aydın, Abdullah; Akkurt, Mehmet; Şüküroğlu, Murat; Büyükgüngör, Orhan","Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","944","946","10.1107/S2056989015012980","","","0.71073","MoKα","","0.0514","0.0389","","","0.0993","0.1056","","","","","","1.043","","","","has coordinates","245767","2020-10-21","18:00:00",""
"2311296","16.8552","0.0004","22.7112","0.0007","15.5503","0.0004","90","","90","","90","","5952.7","0.3","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Undecapotassium bis[α-hemipentahydrogen hexamolybdoplatinate(IV)] dodecahydrate","","- H14.5 K5.5 Mo6 O30 Pt -","- H14.5 K5.5 Mo6 O30 Pt -","- H116 K44 Mo48 O240 Pt8 -","8","0.5","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","986","988","10.1107/S2056989015014188","","","0.71073","MoKα","","0.0391","0.0306","","","0.0722","0.0761","","","","","","1.058","","","","has coordinates","245768","2020-10-21","18:00:00",""
"2311297","9.7665","0.0005","7.795","0.0004","27.0602","0.0016","90","","95.186","0.005","90","","2051.66","0.19","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-[(3-oxo-3<i>H</i>-Benzo[<i>f</i>]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-<i>a</i>]pyrimidin-4(5a<i>H</i>)-one","","- C25 H14 F3 N3 O3 -","- C25 H14 F3 N3 O3 -","- C100 H56 F12 N12 O12 -","4","1","HB7467","Chandra, ?; Kumar, Shamantha; Puttaraju, K. B.; Shivashankar, K.; Mahendra, M.","Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth-yl]-2-tri-fluoro-methyl-9a,10-di-hydro-benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o672","3","10.1107/S2056989015014425","","","0.71073","MoKα","","0.1119","0.057","","","0.1289","0.1764","","","","","","1.003","","","","has coordinates","245769","2020-10-21","18:00:00",""
"2311298","8.6844","0.0004","10.8112","0.0005","11.9235","0.0006","90","","95.2046","0.0009","90","","1114.87","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Aminopyridinium 6-chloronicotinate","2-Aminopyridinium 6-chloropyridine-3-carboxylate","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C44 H40 Cl4 N12 O8 -","4","1","LH5778","Jasmine, N. Jeeva; Rajam, A.; Muthiah, P. Thomas; Stanley, N.; Razak, I. Abdul; Rosli, M. Mustaqim","Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o655","6","10.1107/S2056989015014796","","","0.71073","MoKα","","0.0328","0.0305","","","0.0898","0.0921","","","","","","1.069","","","","has coordinates","245770","2020-10-21","18:00:00",""
"2311299","14.6117","0.0003","9.3345","0.0002","27.3451","0.0007","90","","102.734","0.001","90","","3637.94","0.14","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","<i>cis</i>,<i>fac</i>-{<i>N</i>,<i>N</i>-Bis[(pyridin-2-yl)methyl]methylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","","- C15 H21 Cl2 N3 O Ru S -","- C15 H21 Cl2 N3 O Ru S -","- C120 H168 Cl16 N24 O8 Ru8 S8 -","8","1","","Trotter, Kasey; Arulsamy, Navamoney; Hulley, Elliott","Crystal structure of cis,fac-{N,N-bis-[(pyridin-2-yl)meth-yl]methyl-amine-κ(3) N,N',N''}di-chlorido-(dimethyl sulfoxide-κS)ruthenium(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","m169","70","10.1107/S2056989015014875","","","0.71073","MoKα","","0.066","0.0389","","","0.0748","0.0847","","","","","","1.008","","","","has coordinates","245771","2020-10-21","18:00:00",""
"2311300","8.9298","0.0006","11.587","0.0008","15.7459","0.0011","100.94","0.002","104.804","0.002","98.153","0.002","1515.12","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C56 H60 F4 N8 O8 S4 -","4","2","LH5781","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 4-(2-fluoro-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o699","700","10.1107/S2056989015015145","","","0.71073","MoKα","","0.12","0.0746","","","0.2087","0.2281","","","","","","0.982","","","","has coordinates","245773","2020-10-21","18:00:00",""
"2311301","10.2314","0.0016","11.0693","0.0018","11.3254","0.0019","91.736","0.008","98.695","0.008","105.345","0.008","1219.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1'-Ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","SU5194","Benaka Prasad, S. B.; Naveen, S.; Madaiah, M.; Lokanath, N. K.; Warad, Ismail; Abdoh, Muneer","Crystal structure of 1'-ethyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o705","6","10.1107/S2056989015016175","","","1.54178","CuKα","","0.0999","0.0643","","","0.1704","0.1853","","","","","","1.044","","","","has coordinates","245774","2020-10-21","18:00:00",""
"2311302","12.218","0.003","7.332","0.002","30.923","0.008","90","","90","","90","","2770.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","1","HB7483","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o762","3","10.1107/S2056989015016217","","","0.71073","MoKα","","0.0917","0.0583","","","0.1381","0.1732","","","","","","1.185","","","","has coordinates","245775","2020-10-21","18:00:00",""
"2311303","9.9","0.0006","11.8563","0.0007","19.0377","0.0011","80.827","0.002","83.999","0.002","86.071","0.002","2190.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Acetyl-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-3,7-dimethyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-8-ium chloride","","- C21 H25 Cl N2 O5 S -","- C21 H25 Cl N2 O5 S -","- C84 H100 Cl4 N8 O20 S4 -","4","2","HB7484","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-acetyl-5-(3,4-di-meth-oxy-phen-yl)-6-eth-oxy-carbonyl-3,7-dimethyl-5H-thia-zolo[3,2-a]pyrimidin-8-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o764","5","10.1107/S2056989015016229","","","0.71073","MoKα","","0.1211","0.0547","","","0.1127","0.1339","","","","","","0.966","","","","has coordinates,has disorder","245776","2020-10-21","18:00:00",""
"2311304","10.9635","0.0004","14.972","0.0005","13.0087","0.0004","90","","102.977","0.003","90","","2080.78","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ~2~-1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>:<i>P</i>']bis[(pyrrolidine-1-carbodithioato-κ<i>S</i>)gold(I)]","","- C44 H44 Au2 Fe N2 P2 S4 -","- C44 H44 Au2 Fe N2 P2 S4 -","- C88 H88 Au4 Fe2 N4 P4 S8 -","2","0.5","VN2097","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of [μ2-1,1'-bis-(di-phenyl-phos-phanyl)ferrocene-κ(2) P:P']bis-[(pyrrolidine-1-carbo-dithioato-κS)gold(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","1143","1146","10.1107/S2056989015016382","","","0.71073","MoKα","","0.0257","0.0221","","","0.0489","0.0509","","","","","","1.063","","","","has coordinates","245777","2020-10-21","18:00:00",""
"2311305","8.7215","0.0003","8.7215","0.0003","20.9874","0.0009","90","","90","","120","","1382.52","0.09","296","","296","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetra-μ~2~-cyanido-κ^4^<i>C</i>:<i>N</i>;κ^4^<i>N</i>:<i>C</i>-manganese(II)disilver(I)]","","- C14 H8 Ag2 Mn N6 -","- C14 H8 Ag2 Mn N6 -","- C42 H24 Ag6 Mn3 N18 -","3","0.5","VN2098","Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure of poly[(2,2'-bi-pyridine-κ(2) N,N')tetra-μ2-cyanido-κ(4) C:N;κ(4) N:C-manganese(II)disilver(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","m179","80","10.1107/S205698901501676X","","","0.71073","MoKα","","0.0153","0.015","","","0.0381","0.0383","","","","","","1.072","","","","has coordinates","245778","2020-10-21","18:00:00",""
"2311306","5.145","0.0002","15.1359","0.0007","19.5828","0.0009","90","","96.547","0.004","90","","1515.05","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-6-propylamino-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","HB7504","Jasinski, Jerry P.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdu-Allah, Hajjaj H M; Albayati, Mustafa R.","Crystal structure of 3-methyl-1-phenyl-6-propyl-amino-1H-pyrazolo[3,4-b]pyridine-5-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o766","7","10.1107/S2056989015017004","","","0.71073","MoKα","","0.0761","0.0553","","","0.1288","0.1433","","","","","","1.03","","","","has coordinates","245779","2020-10-21","18:00:00",""
"2311307","16.271","0.005","5.3804","0.0013","16.7","0.004","90","","90","","90","","1462","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Benzylsulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C14 H11 N5 O S2 -","- C14 H11 N5 O S2 -","- C56 H44 N20 O4 S8 -","4","1","TK5386","Vaarla, Krishnaiah; Rao, V. Rajeswar; Akkurt, Mehmet","Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o809","10","10.1107/S2056989015017351","","","0.71073","MoKα","","0.0344","0.0312","","","0.0753","0.0771","","","","","","1.079","","","","has coordinates","245780","2020-10-21","18:00:00",""
"2311308","5.5215","0.0003","16.1299","0.0008","18.7112","0.0009","90","","93.98","0.005","90","","1662.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (2<i>Z</i>)-2-[(2<i>Z</i>)-2-(2-cyclopentylidenehydrazin-1-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","TK5388","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of methyl (2Z)-2-[(2Z)-2-(2-cyclo-pentyl-idenehydrazin-1-yl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene]ethano-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o776","7","10.1107/S2056989015017454","","","0.71073","MoKα","","0.077","0.0504","","","0.1179","0.1347","","","","","","1.021","","","","has coordinates,has disorder","245781","2020-10-21","18:00:00",""
"2311309","10.9366","0.0006","11.7386","0.0005","12.6262","0.0008","100.018","0.004","113.884","0.006","105.884","0.004","1348.75","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl 27,30-dioxo-7,12,20,25-tetra-<i>tert</i>-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.1^1,5^.1^4,8^.1^10,14^.1^14,18^.1^17,21^]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate","","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","1","0.5","IS5424","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of tetra-ethyl 27,30-dioxo-7,12,20,25-tetra-tert-but-yl-3,16-dioxa-9,22,28,31-tetra-thia-hepta-cyclo-[21.3.1.1(1,5).1(4,8).1(10,14).1(14,18).1(17,21)]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-deca-ene-2,2,15,15-tetra-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o778","9","10.1107/S205698901501748X","","","0.71073","MoKα","","0.0942","0.0643","","","0.1501","0.1687","","","","","","1.07","","","","has coordinates","245782","2020-10-21","18:00:00",""
"2311310","6.716","0.004","6.809","0.004","29.425","0.017","90","","94.784","0.007","90","","1340.9","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-4-oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-3-carboxamide","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0738","0.056","","","0.1256","0.1325","","","","","","1.071","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311311","7.43","0.003","11.963","0.006","12.648","0.006","90","","90","","90","","1124.2","0.9","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0735","0.0686","","","0.1483","0.1521","","","","","","1.07","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311312","15.337","0.006","21.94","0.008","6.808","0.003","90","","90","","90","","2290.8","1.6","100","2","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","2-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","Mokα","","0.0555","0.0477","","","0.0978","0.102","","","","","","1.112","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311313","11.213","0.013","14.231","0.017","9.582","0.015","90","","116.76","0.03","90","","1365","3","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Amino-<i>N</i>-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C15 H15 F N2 O S -","- C15 H15 F N2 O S -","- C60 H60 F4 N8 O4 S4 -","4","1","HB7493","Chandra Kumar, K.; Umesh, V.; Madhura, T. K.; Rajesh, B. M.; Chandra, ?","Crystal structure of 2-amino-N-(2-fluoro-phen-yl)-4,5,6,7-tetra-hydro-1-benzo-thio-phene-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o807","8","10.1107/S2056989015018022","","","0.71073","MoKα","","0.0426","0.0379","","","0.0795","0.0806","","","","","","1.836","","","","has coordinates","245784","2020-10-21","18:00:00",""
"2311314","13.143","0.002","8.013","0.002","17.88","0.002","90","","96.129","0.014","90","","1872.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidine-7-carboxylate","","- C21 H19 N3 O3 S -","- C21 H19 N3 O3 S -","- C84 H76 N12 O12 S4 -","4","1","TK5390","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Ahmed, Essam K.; Albayati, Mustafa R.","Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o836","7","10.1107/S2056989015018447","","","0.71073","MoKα","","0.0642","0.0435","","","0.1021","0.1165","","","","","","1.037","","","","has coordinates","245785","2020-10-21","18:00:00",""
"2311315","19.4338","0.0006","14.2147","0.0003","20.8631","0.0006","90","","103.184","0.003","90","","5611.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","25-Benzoylmethoxy-5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene‒tetraethylammonium chloride (1/1)","","- C56 H74 Cl N O5 S4 -","- C56 H74 Cl N O5 S4 -","- C224 H296 Cl4 N4 O20 S16 -","4","2","XU5871","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o830","1","10.1107/S2056989015018617","","","0.71073","MoKα","","0.1189","0.0789","","","0.2023","0.241","","","","","","1.05","","","","has coordinates","245786","2020-10-21","18:00:00",""
"2311316","13.3298","0.0015","7.1509","0.0008","14.5703","0.0017","90","","109.854","0.004","90","","1306.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O2 S -","- C13 H13 F N2 O2 S -","- C52 H52 F4 N8 O8 S4 -","4","1","TK5392","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of methyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o838","9","10.1107/S2056989015018873","","","0.71073","MoKα","","0.1331","0.0637","","","0.1175","0.1325","","","","","","0.946","","","","has coordinates","245787","2020-10-21","18:00:00",""
"2311317","7.6954","0.0005","8.1799","0.0005","13.9626","0.0009","95.928","0.002","103.685","0.002","90.137","0.002","849.07","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methyl-thiophene-3-carboxylate","","- C16 H23 N3 O3 S -","- C16 H23 N3 O3 S -","- C32 H46 N6 O6 S2 -","2","1","HB7489","Krishnamurthy, M. S.; Prasad, N. L.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-[3-(di-methyl-amino)-acrylo-yl]-2-{[(di-methyl-amino)-methyl-idene]-amino}-4-methylthio-phene-3-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o908","9","10.1107/S2056989015018885","","","0.71073","MoKα","","0.0382","0.0321","","","0.0855","0.0886","","","","","","1.022","","","","has coordinates","245788","2020-10-21","18:00:00",""
"2311318","13.3039","0.0012","6.5892","0.0006","9.3753","0.0008","90","","92.419","0.001","90","","821.13","0.13","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2-Cyano-1-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","0.5","HB7523","Nguyen, Vu D.; McCormick, Cameron A.; Pascal, Jr, Robert A; Mague, Joel T.; Koplitz, Lynn V.","Crystal structure of 2-cyano-1-methyl-pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o854","5","10.1107/S2056989015019167","","","0.71073","MoKα","","0.0258","0.0225","","","0.0473","0.0481","","","","","","1.022","","","","has coordinates","245789","2020-10-21","18:00:00",""
"2311319","6.8118","0.0009","13.6726","0.0018","15.909","0.002","90","","90","","90","","1481.7","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Ethoxy-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SU5224","Walki, Shashikanth; Naveen, S.; Kenchanna, S.; Mahadevan, K. M.; Kumara, M. N.; Lokanath, N. K.","Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o860","1","10.1107/S2056989015019325","","","1.54178","CuKα","","0.047","0.045","","","0.1276","0.1311","","","","","","1.028","","","","has coordinates","245790","2020-10-21","18:00:00",""
"2311320","10.9754","0.0002","12.9877","0.0002","8.9544","0.0002","90","","96.546","0.002","90","","1268.09","0.04","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CmoM","2-Methylphenyl <i>N</i>-(pyridin-3-yl)carbamate monohydrate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.068","0.0489","","","0.1224","0.1359","","","","","","1.031","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311321","10.9036","0.0004","13.0518","0.0003","8.9804","0.0003","90","","96.46","0.003","90","","1269.9","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CmoBr","2-Bromophenyl <i>N</i>-(pyridin-3-yl)carbamate monohydrate","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.0798","0.0463","","","0.0922","0.1058","","","","","","1.032","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311322","8.198","0.0001","10.029","0.0002","16.772","0.0003","90","","90","","90","","1378.96","0.04","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a,4,5,6,6a,9,9a,9b-octahydroazuleno[4,5-<i>b</i>]furan-2,8(3<i>H</i>,7<i>H</i>)-dione","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","RZ5172","Çelik, Ísmail; Akkurt, Mehmet; Akşit, Hüseyin; Erenler, Ramazan; García-Granda, Santiago","Crystal structure and computational study of 3,4-dihy-droxy-3-hy-droxy-methyl-9-methyl-6-methyl-idene-3a,4,5,6,6a,9,9a,9b-octa-hydro-azuleno[4,5-b]furan-2,8(3H,7H)-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","1425","1428","10.1107/S2056989015019623","","","1.54184","CuKα","","0.0375","0.035","","","0.0929","0.0961","","","","","","1.053","","","","has coordinates","245792","2020-10-21","18:00:00",""
"2311323","16.0126","0.0007","7.4316","0.0003","16.1654","0.0009","90","","94.607","0.004","90","","1917.46","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(9<i>H</i>-Carbazol-9-yl)-<i>N</i>'-[(<i>E</i>)-4-chlorobenzylidene]propanohydrazide","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","QM2112","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; El-Emary, Talaat I; Albayati, Mustafa R.","Crystal structure of 3-(9H-carbazol-9-yl)-N'-[(E)-4-chloro-benzyl-idene]propano-hydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o937","8","10.1107/S2056989015020770","","","0.71073","MoKα","","0.1272","0.0575","","","0.1291","0.1669","","","","","","1.019","","","","has coordinates","245793","2020-10-21","18:00:00",""
"2311324","9.0124","0.0002","9.0124","0.0002","12.82","0.0002","90","","90","","90","","1041.28","0.04","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","1-(Cyclopentylideneamino)-3-(prop-2-en-1-yl)thiourea","","- C9 H15 N3 S -","- C9 H15 N3 S -","- C36 H60 N12 S4 -","4","1","HB7535","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T; Albayati, Mustafa R.","Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o924","5","10.1107/S2056989015021003","","","1.54178","CuKα","","0.0432","0.0412","","","0.1074","0.1092","","","","","","1.1","","","","has coordinates","245794","2020-10-21","18:00:00",""
"2311325","8.7759","0.0003","10.6399","0.0003","20.7929","0.0007","90","","93.842","0.003","90","","1937.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C23 H20 Cl N3 O -","- C23 H20 Cl N3 O -","- C92 H80 Cl4 N12 O4 -","4","1","TK5407","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Allah, Omyma A A Abd; Albayati, Mustafa R.","Crystal structure of 2-amino-4-(4-chloro-phen-yl)-1-(4-methyl-phen-yl)-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o949","50","10.1107/S2056989015021313","","","0.71073","MoKα","","0.0739","0.0528","","","0.1273","0.1436","","","","","","1.044","","","","has coordinates","245795","2020-10-21","18:00:00",""
"2311326","10.8056","0.0008","14.7141","0.0012","23.0408","0.0018","90","","96.181","0.001","90","","3642.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dimethylanilino)-<i>N</i>'-[(1<i>E</i>)-2-hydroxybenzylidene]benzohydrazide","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C176 H168 N24 O16 -","8","2","BG2574","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o957","8","10.1107/S2056989015021532","","","0.71073","MoKα","","0.0743","0.047","","","0.1198","0.1327","","","","","","1.057","","","","has coordinates","245796","2020-10-21","18:00:00",""
"2311327","19.4735","0.0007","8.9773","0.0004","20.3414","0.0008","90","","91.619","0.003","90","","3554.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[9-(2-Hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","2","HB7542","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Allah, Omyma A Abd; Tamam, Asmaa H. A.; Albayati, Mustafa R.","Crystal structure of 2-[9-(2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o963","4","10.1107/S2056989015021611","","","0.71073","MoKα","","0.1444","0.0788","","","0.1882","0.2289","","","","","","1.014","","","","has coordinates","245797","2020-10-21","18:00:00",""
"2311328","8.8287","0.0003","14.2531","0.0005","33.1222","0.0011","90","","90","","90","","4168","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C23 H24 Br N O5 -","- C23 H24 Br N O5 -","- C184 H192 Br8 N8 O40 -","8","1","WM5239","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Abdelhamid, Antar A.; Tamam, Asmaa H.; Albayati, Mustafa R.","Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o989","90","10.1107/S2056989015022240","","","0.71073","MoKα","","0.096","0.0589","","","0.1333","0.1529","","","","","","1.016","","","","has coordinates","245798","2020-10-21","18:00:00",""
"2311329","9.3296","0.0008","10.8407","0.0008","11.3906","0.0009","103.231","0.009","111.888","0.009","104.123","0.009","968.99","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(2,6-dimethylpyrazine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine trisolvate","","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","1","0.5","WM5255","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN)bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","m269","70","10.1107/S2056989015024184","","","0.71073","MoKα","","0.055","0.0469","","","0.1236","0.1298","","","","","","1.052","","","","has coordinates","245799","2020-10-21","18:00:00",""
"2311666","9.2849","0.0019","10.835","0.002","15.295","0.003","89.96","0.04","84.78","0.03","80.54","0.02","1511.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N4 O4 P -","- C14 H15 N4 O4 P -","- C56 H60 N16 O16 P4 -","4","2","","Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh","Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","176","185","10.1107/S2052520615003297","","","0.71073","MoKα","","0.1532","0.0976","","","0.1781","0.1951","","","","","","1.094","","","","has coordinates","246076","2020-10-21","18:00:00",""
"2311667","14.8817","0.0005","15.9332","0.0005","36.7289","0.0012","90","","96.133","0.001","90","","8659.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Ce N7 O15 P2 -","- C36 H42 Ce N7 O15 P2 -","- C288 H336 Ce8 N56 O120 P16 -","8","2","EB5037","Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh","Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","176","185","10.1107/S2052520615003297","","","0.71073","MoKα","","0.0793","0.0455","","","0.0811","0.0904","","","","","","1.051","","","","has coordinates,has disorder","246076","2020-10-21","18:00:00",""
"2311668","14.8395","0.0005","15.8178","0.0005","36.7471","0.0011","90","","96.168","0.001","90","","8575.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Eu N7 O15 P2 -","- C36 H42 Eu N7 O15 P2 -","- C288 H336 Eu8 N56 O120 P16 -","8","2","","Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh","Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","176","185","10.1107/S2052520615003297","","","0.71073","MoKα","","0.0397","0.0287","","","0.0571","0.062","","","","","","1.011","","","","has coordinates,has disorder","246076","2020-10-21","18:00:00",""
"2311669","10.254","0.003","15.557","0.005","15.444","0.006","90","","102.287","0.005","90","","2407.2","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Co N2 O4 P2 S4 -","- C46 H54 Co N2 O4 P2 S4 -","- C92 H108 Co2 N4 O8 P4 S8 -","2","0.5","BP5076","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","221","227","10.1107/S205252061500390X","","","0.71073","MoKα","","0.1092","0.0725","","","0.2135","0.2559","","","","","","1.005","","","","has coordinates","246077","2020-10-21","18:00:00",""
"2311670","11.8107","0.0006","14.4211","0.0009","12.8807","0.0007","90","","104.929","0.002","90","","2119.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Co N2 O4 P2 S4 -","- C42 H46 Co N2 O4 P2 S4 -","- C84 H92 Co2 N4 O8 P4 S8 -","2","0.5","","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","221","227","10.1107/S205252061500390X","","","0.71073","MoKα","","0.0403","0.0301","","","0.0804","0.0869","","","","","","1.032","","","","has coordinates","246077","2020-10-21","18:00:00",""
"2311671","8.0404","0.0007","16.3777","0.0013","18.9182","0.0014","90","","98.074","0.004","90","","2466.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Co N2 O4 P2 S4 -","- C46 H54 Co N2 O4 P2 S4 -","- C92 H108 Co2 N4 O8 P4 S8 -","2","0.5","","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","221","227","10.1107/S205252061500390X","","","0.71073","MoKα","","0.0525","0.0361","","","0.0947","0.1058","","","","","","0.928","","","","has coordinates","246077","2020-10-21","18:00:00",""
"2311672","9.5631","0.0007","9.8309","0.0006","14.2326","0.0009","99.29","0.003","98.602","0.003","112.994","0.003","1181.83","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Co N2 O4 P2 S4 -","- C46 H54 Co N2 O4 P2 S4 -","- C46 H54 Co N2 O4 P2 S4 -","1","0.5","","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 2","221","227","10.1107/S205252061500390X","","","0.71073","MoKα","","0.0548","0.0364","","","0.0838","0.0921","","","","","","1.039","","","","has coordinates","246077","2020-10-21","18:00:00",""
"2311673","10.47","0.0005","14.6637","0.001","15.0285","0.001","61.535","0.007","83.55","0.005","71.02","0.005","1915.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Complex of trimethoprim and fumaric acid","","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C72 H88 N16 O28 -","4","2","DK5035","Tilborg, Anaelle; Carletta, Andrea; Wouters, Johan","Structural and energy insights on solid-state complexes with trimethoprim: a combined theoretical and experimental investigation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","406","415","10.1107/S2052520615008422","","","0.71073","MoKα","","0.0598","0.0437","","","0.1069","0.12","","","","","","1.042","","","","has coordinates","246078","2020-10-21","18:00:00",""
"2311674","10.3885","0.0003","16.7902","0.0004","8.9064","0.0002","90","","97.704","0.002","90","","1539.48","0.07","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-nitrobenzylidene-p-phenylaminoaniline","N-[4-(4-Nitrobenzylideneamino)phenyl]phenylamine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","AO5005","Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos","Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","416","426","10.1107/S2052520615008859","","","0.71073","MoKα","","0.0491","0.0358","","","0.0835","0.087","","","","","","1.003","","","","has coordinates","246079","2020-10-21","18:00:00",""
"2311675","6.5715","0.0002","15.0533","0.0004","17.0598","0.0005","90","","90","","90","","1687.6","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-dinitrobenzylidene-p-phenylaminoaniline","N-[4-(2,4-dinitrobenzylideneamino)phenyl]phenylamine","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","1","AO5005","Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos","Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","416","426","10.1107/S2052520615008859","","","1.5418","CuKα","","0.0377","0.0318","","","0.0803","0.0843","","","","","","1.05","","","","has coordinates","246079","2020-10-21","18:00:00",""
"2311676","16.1019","0.0005","7.6028","0.0003","12.3616","0.0004","90","","91.615","0.003","90","","1512.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-nitrobenzylidene-p-diethylaminoaniline","N-[4-(4-Nitrobenzylideneamino)phenyl]diethylamine","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","AO5005","Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos","Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","416","426","10.1107/S2052520615008859","","","0.71073","MoKα","","0.0609","0.0455","","","","0.1256","","","","","","1.028","","","","has coordinates","246079","2020-10-21","18:00:00",""
"2311677","5.183","0.0006","16.808","0.007","27.247","0.003","90","","90","","90","","2373.6","1.1","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C88 H104 Cl8 N16 O16 -","8","1","LO5002","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.1065","0.0613","","","0.0975","0.1099","","","","","","1.083","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311678","10.1389","0.0007","7.5691","0.0005","27.0498","0.0015","90","","90","","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C88 H72 Br8 N16 O8 -","8","1","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.0426","0.0323","","","0.071","0.0759","","","","","","1.066","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311679","6.845","0.005","7.141","0.005","13.905","0.005","101.723","0.005","95.164","0.005","100.511","0.005","648.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H12 Br Cl N2 O2 -","- C11 H12 Br Cl N2 O2 -","- C22 H24 Br2 Cl2 N4 O4 -","2","1","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","1.54178","CuKα","","0.0565","0.0435","","","0.1096","0.1207","","","","","","1.056","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311680","7.0408","0.0003","8.4596","0.0005","11.4455","0.0007","89.438","0.005","86.904","0.004","82.072","0.004","674.22","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N3 O6 -","- C11 H15 N3 O6 -","- C22 H30 N6 O12 -","2","1","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.0633","0.0459","","","0.113","0.1225","","","","","","1.052","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311681","21.91","0.0007","8.0131","0.0003","14.3802","0.0004","90","","97.325","0.003","90","","2504.08","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N3 O3 -","- C11 H12 Cl N3 O3 -","- C88 H96 Cl8 N24 O24 -","8","2","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.0426","0.0378","","","0.0899","0.0926","","","","","","1.046","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311682","8.6341","0.0015","10.5326","0.0018","14.302","0.002","89.016","0.004","73.535","0.004","82.924","0.004","1237.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 F2 N3 O8 -","- C25 H27 F2 N3 O8 -","- C50 H54 F4 N6 O16 -","2","1","UM5002","Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng","From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","437","446","10.1107/S2052520615011191","","","0.71073","MoKα","","0.1315","0.0763","","","0.2502","0.314","","","","","","1.067","","","","has coordinates","246081","2020-10-21","18:00:00",""
"2311683","9.551","0.004","9.701","0.004","15.45","0.007","83.87","0.011","73.816","0.011","83.271","0.011","1361.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 F2 N7 O10 -","- C25 H28 F2 N7 O10 -","- C50 H56 F4 N14 O20 -","2","1","","Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng","From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","437","446","10.1107/S2052520615011191","","","0.71073","MoKα","","0.1675","0.0816","","","0.2272","0.31","","","","","","0.932","","","","has coordinates,has disorder","246081","2020-10-21","18:00:00",""
"2311684","10.032","0.004","12.123","0.005","14.336","0.006","86.396","0.012","71.375","0.011","74.221","0.012","1589.4","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 F2 N5 O12 -","- C30 H35 F2 N5 O12 -","- C60 H70 F4 N10 O24 -","2","1","","Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng","From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","437","446","10.1107/S2052520615011191","","","0.71073","MoKα","","0.1993","0.0882","","","0.2162","0.292","","","","","","1.018","","","","has coordinates","246081","2020-10-21","18:00:00",""
"2311685","8.251","0.004","8.949","0.003","9.596","0.003","64.89","0.012","78.49","0.02","66.231","0.016","586.8","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","bis(chloro-(mu2-(1H)-pyrazol-3-yl-ethan-oxime-N,N')-(pyridine-N)-copper(ii))","","- C20 H22 Cl2 Cu2 N8 O2 -","- C20 H22 Cl2 Cu2 N8 O2 -","- C20 H22 Cl2 Cu2 N8 O2 -","1","0.5","GW5038","Vologzhanina, Anna V.; Kats, Svitlana V.; Penkova, Larisa V.; Pavlenko, Vadim A.; Efimov, Nikolay N.; Minin, Vadim V.; Eremenko, Igor L.","Combined analysis of chemical bonding in a Cu(II) dimer using QTAIM, Voronoi tessellation and Hirshfeld surface approaches.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 5","543","554","10.1107/S2052520615015279","","","0.71073","MoKα","","0.027","0.017","","","","0.018","","","","","","0.62","","","","has coordinates","288246","2023-12-12","10:54:34",""
"2311841","8.847","0.003","17.679","0.006","9.564","0.003","90","","100.38","0.02","90","","1471.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bromoacetate","","- C14 H26 Br N O2 -","- C14 H26 Br N O2 -","- C56 H104 Br4 N4 O8 -","4","1","","Rojek, Tomasz; Lis, Tadeusz; Matczak-Jon, Ewa","Dicyclohexylammonium bromoacetate: a low molecular mass organogelator with a one-dimensional secondary ammonium monocarboxylate (SAM) synthon.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 7","593","597","10.1107/S2053229615011018","","","0.71073","MoKα","","0.0392","0.0325","","","0.0917","0.0939","","","","","","1.058","","","","has coordinates","246132","2020-10-21","18:00:00",""
"2311842","8.9698","0.0004","12.4288","0.0005","20.3978","0.0008","90","","90.7276","0.0017","90","","2273.84","0.16","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[μ-1,3-bis(3-<i>tert</i>-butylimidazolin-2-yliden-1-yl)pyridine]-1κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^;2κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^-dicopper(I) bis(hexafluoridophosphate)","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C76 H100 Cu4 F24 N20 P4 -","2","1","FP3013","Riener, Korbinian; Pöthig, Alexander; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","Structure and spectroscopic properties of the dimeric copper(I) N-heterocyclic carbene complex [Cu₂(CNC(t-Bu))₂](PF₆)₂.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 8","643","646","10.1107/S2053229615012140","","","0.71073","MoKα","","0.0202","0.0192","","","0.0487","0.0491","","","","","","1.027","","","","has coordinates","246133","2020-10-21","18:00:00",""
"2311843","15.0721","0.0004","11.3109","0.0003","19.4443","0.0004","90","","90","","90","","3314.85","0.14","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4-(Diethylamino)benzyl]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0788","0.0483","","","0.1202","0.1348","","","","","","1.047","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311844","9.8128","0.0002","10.0235","0.0002","30.4669","0.0006","90","","90","","90","","2996.68","0.1","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-5-(2,4,6-trimethoxybenzyl)-1,3-dioxane-4,6-dione","","- C16 H20 O7 -","- C16 H20 O7 -","- C128 H160 O56 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0689","0.0421","","","0.0942","0.1052","","","","","","0.997","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311845","22.9942","0.0005","10.184","0.0002","26.9904","0.0007","90","","112.125","0.001","90","","5855","0.2","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-(4-Hydroxy-3,5-dimethoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C15 H18 O7 -","- C15 H18 O7 -","- C240 H288 O112 -","16","2","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.1458","0.0555","","","0.1021","0.1275","","","","","","0.958","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311846","19.154","0.0013","7.939","0.0004","13.936","0.001","90","","93.613","0.006","90","","2114.9","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(2,4-dichlorobenzoato-κ<i>O</i>)zinc(II)]-μ-isonicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C20 H12 Cl4 N2 O5 Zn -","- C20 H12 Cl4 N2 O5 Zn -","- C80 H48 Cl16 N8 O20 Zn4 -","4","1","CU3087","Homzová, Katarína; Györyová, Katarína; Koman, Marián; Melník, Milan; Juhászová, Žofia","Synthesis, crystal structure, and spectroscopic and thermal properties of the polymeric compound catena-poly[[bis(2,4-dichlorobenzoato)zinc(II)]-μ-isonicotinamide].","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","814","819","10.1107/S2053229615014862","","","0.71073","MoKα","","0.0396","0.0264","","","0.0586","0.0669","","","","","","0.957","","","","has coordinates","246135","2020-10-21","18:00:00",""
"2311847","16.2034","0.0014","16.2034","","28.698","0.002","90","","90","","90","","7534.7","0.8","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","Ni_TFDIB","<i>trans</i>-Tetrakis(4-vinylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)‒2,3,5,6-tetrafluoro-1,4-diiodobenzene (1/1)","","- C36 H28 F4 I2 N6 Ni S2 -","- C36 H28 F4 I2 N6 Ni S2 -","- C288 H224 F32 I16 N48 Ni8 S16 -","8","0.5","YP3107","Şerb, Mihaela-Diana; Merkens, Carina; Kalf, Irmgard; Englert, Ulli","Halogen bonds on demand: I···S contacts in cocrystals of trans-bis(thiocyanato-κN)tetrakis(4-vinylpyridine-κN)nickel(II) and 2,3,5,6-tetrafluoro-1,4-diiodobenzene.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 11","991","995","10.1107/S2053229615019002","","","0.71073","MoKα","","0.0549","0.0359","","","0.0691","0.0772","","","","","","1.03","","","","has coordinates","246136","2020-10-21","18:00:00",""
"2311848","16.7143","0.0004","16.7143","0.0004","9.4518","0.0005","90","","90","","90","","2640.53","0.17","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C11 H7 N5 O4 S Zn -","- C11 H7 N5 O4 S Zn -","- C88 H56 N40 O32 S8 Zn8 -","8","1","YF3096","Liu, Yang; Feng, Yong Lan; Fu, Wei Wei","A new two-dimensional extended adenine and thiophenecarboxylate mixed-ligand zinc(II) complex: synthesis, structure, thermostability and luminescent properties.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1069","1073","10.1107/S2053229615021221","","","0.71073","MoKα","","0.0704","0.0639","","","0.1792","0.1864","","","","","","1.138","","","","has coordinates","246137","2020-10-21","18:00:00",""
"2311849","10.1146","0.0004","12.1591","0.0005","17.7002","0.0007","97.219","0.002","97.02","0.002","102.06","0.002","2087.05","0.15","123","","123","","","","","","","","","6","P -1","-P 1","2","","[1,1'-Bis(pyridin-2-yl)-2,2-bi(1<i>H</i>-imidazole)-κ<i>N</i>^3^][3,3'-bis(pyridin-2-yl-κ<i>N</i>)-1,1'-methanediylbi(1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^)](trimethylphosphane-κ<i>P</i>)iron(II) bis(hexafluoridophosphate)","","- C36 H35 F12 Fe N12 P3 -","- C36 H35 F12 Fe N12 P3 -","- C72 H70 F24 Fe2 N24 P6 -","2","1","FP3018","Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 12","1096","1099","10.1107/S2053229615021968","","","0.71073","MoKα","","0.0925","0.0585","","","0.1218","0.1354","","","","","","1.049","","","","has coordinates,has disorder","246138","2020-10-21","18:00:00",""
"3000041","6.36216","0.00017","12.7523","0.0004","11.4102","0.0003","90","","90","","90","","925.73","0.05","295","","295","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Al3 Cs6 F15 -","- Al3 Cs6 F15 -","- Al6 Cs12 F30 -","2","0.5","","Armel Le Bail; Lubomir Smrcok","Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~","Powder Diffraction","2015","30","2","130","138","10.1017/S0885715614001444","powder diffraction","","1.5418","CuKα","","","","","","","","","3.953","2.569","","","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000042","6.2535","0.00019","6.2535","0.00019","14.7193","0.0006","90","","90","","120","","498.5","0.03","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2 Cs3 F9 -","- Al2 Cs3 F9 -","- Al4 Cs6 F18 -","2","0.0833333","","Armel Le Bail; Lubomir Smrcok","Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~","Powder Diffraction","2015","30","2","130","138","10.1017/S0885715614001444","powder diffraction","","1.5418","CuKα","","","","","","","","","5.9856","3.154","","","","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3000048","3.080972","","3.080972","","26.778308","","90","","90","","120","","220.135","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Zinc Aluminum Hydroxide Nitrate Hydrate","Hydrotalcite polytype_3R1","- Al0.84 N1.69 O35.24 Zn2.16 -","- Al0.843 N1.686 O35.244 Zn2.157 -","- Al0.843 N1.686 O35.244 Zn2.157 -","1","0.0277778","","Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina","Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites","Chemistry - A European Journal","2015","21","42","14975","14986","10.1002/chem.201500450","","","","","","","","","","","","","","","","","","","","","has coordinates","275235","2022-05-09","00:06:11",""
"3500022","5.754","0.003","5.939","0.003","12.786","0.006","98.28","0.03","94.04","0.03","90.83","0.03","431.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- F9 Fe H2 O Pb3 -","- F9 Fe H2 O Pb3 -","- F18 Fe2 H4 O2 Pb6 -","2","1","","Armel Le Bail","Crystal structure of Pb3FeF9.H2O","Personal communication to COD","2015","","","","","","","","0.71069","MoKα","","0.1514","0.0934","","","0.1751","0.1944","","","","","","1.194","","","","has coordinates,has Fobs","176668","2020-10-21","18:00:00",""
"3500023","14.7968","0.0014","11.8592","0.0011","9.4389","0.0009","90","","97.488","0.002","90","","1642.2","0.3","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd3 H16 O20 S3 -","- Cd3 H16 O20 S3 -","- Cd12 H64 O80 S12 -","4","0.5","","Marilyn Olmstead","Cadmium Sulfate 8/3 hydrate","Personal communication to COD","2015","","","","","","","","0.71073","MoKα","","0.013","0.0126","","","0.0295","0.0297","","","","","","1.194","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500024","5.7567","0.0002","25.8548","0.0011","8.7938","0.0004","90","","100.04","0.002","90","","1288.81","0.09","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","4-Acetamidophenyl salicylate","4-Acetamidophenyl 2-hydroxybenzoate","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","","Thierry Maris","4-Acetamidophenyl 2-hydroxybenzoate","Personal communication to COD","2015","","","","","","","x-ray","1.54178","CuKα","","0.0411","0.0411","","","0.0954","0.0954","","","","","","1.135","","","","has coordinates,has Fobs","137673","2020-10-21","18:00:00",""
"3500025","7.7082","0.0004","5.9107","0.0003","7.7227","0.0004","90","","100.378","0.003","90","","346.1","0.03","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C40 H32 -","4","1","","Tobias Stürzer; Saulius Gražulis","A structure of Azulene","Personal communication to COD","2015","","","","","","","","1.3418","GaKα","","0.0452","0.0366","","","0.0749","0.078","","","","","","1.203","","","","has coordinates,has disorder","152584","2020-10-21","18:00:00",""
"3500026","7.6385","0.0004","7.773","0.0004","11.041","0.0006","90","","90","","90","","655.55","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O6 -","- C4 H9 N O6 -","- C16 H36 N4 O24 -","4","1","","Tobias Stürzer; Saulius Gražulis","private communication","Personal communication to COD","2015","","","","","","","","1.3418","GaKα","","0.0217","0.0212","","","0.0571","0.0575","","","","","","1.061","","","","has coordinates","152583","2020-10-21","18:00:00",""
"4002128","6.3964","0.0005","11.0864","0.0009","12.4048","0.001","90","","99.867","0.005","90","","866.65","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lithium Tin Sulfide","Lithium Tin Sulfide","","- Li2 S3 Sn -","- Li2 S3 Sn -","- Li16 S24 Sn8 -","8","1","","Brant, Jacilynn A.; Massi, Danielle M.; Holzwarth, N. A. W.; MacNeil, Joseph H.; Douvalis, Alexios P.; Bakas, Thomas; Martin, Steve W.; Gross, Michael D.; Aitken, Jennifer A.","Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure","Chemistry of Materials","2015","27","1","189","","10.1021/cm5037524","","","0.71073","MoKα","","0.0174","0.0131","","","0.0286","0.0302","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002129","9.6012","0.0003","9.6449","0.0003","12.563","0.0004","90","","97.04","0.001","90","","1154.6","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.034","0.0263","","","0.0645","0.0683","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002130","9.4796","0.0005","9.4223","0.0004","12.4759","0.0006","90","","96.722","0.003","90","","1106.68","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0646","0.0455","","","0.1127","0.1274","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002131","9.4189","0.0004","9.3268","0.0003","12.3715","0.0005","90","","96.769","0.001","90","","1079.24","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co5 O18 -","- C16 H16 Co5 O18 -","- C32 H32 Co10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0235","0.0203","","","0.0525","0.0538","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002132","9.4427","0.0001","9.3732","0.0001","12.3909","0.0002","90","","96.822","0.001","90","","1088.93","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co Mn4 O18 -","- C16 H16 Co4.048 Mn0.95 O18 -","- C32 H32 Co8.096 Mn1.9 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0285","0.0217","","","0.0529","0.0556","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002133","9.5092","0.0001","9.4843","0.0001","12.4522","0.0002","90","","96.874","0.001","90","","1114.97","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.5 Mn2.5 O18 -","- C16 H16 Co2.087 Mn2.901 O18 -","- C32 H32 Co4.174 Mn5.802 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0216","0.0188","","","0.0502","0.0515","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002134","9.5376","0.0003","9.5266","0.0003","12.4771","0.0003","90","","96.938","0.001","90","","1125.38","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.873 Mn3.101 O18 -","- C32 H32 Co3.746 Mn6.202 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0301","0.0225","","","0.0572","0.0608","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002135","9.5632","0.0001","9.5665","0.0001","12.5036","0.0001","90","","96.994","0.001","90","","1135.4","0.019","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.28 Mn3.701 O18 -","- C32 H32 Co2.56 Mn7.402 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0335","0.0241","","","0.0598","0.0641","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002136","9.4194","0.0009","9.3271","0.0008","12.3699","0.0011","90","","96.78","0.002","90","","1079.17","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co4.2 Fe0.8 O18 -","- C16 H16 Co4.19 Fe0.81 O18 -","- C32 H32 Co8.38 Fe1.62 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0386","0.0265","","","0.0602","0.0644","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002137","9.448","0.003","9.368","0.003","12.418","0.004","90","","96.601","0.007","90","","1091.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.9 Fe2.1 O18 -","- C16 H16 Co2.9 Fe2.1 O18 -","- C32 H32 Co5.8 Fe4.2 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0568","0.0441","","","0.1121","0.1217","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002138","9.4574","0.0004","9.3706","0.0003","12.4237","0.0005","90","","96.7299","0.0009","90","","1093.42","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.3 Fe2.7 O18 -","- C16 H16 Co2.3 Fe2.7 O18 -","- C32 H32 Co4.6 Fe5.4 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0348","0.0253","","","0.0582","0.0614","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002139","9.4649","0.0003","9.3881","0.0003","12.4407","0.0004","90","","96.7263","0.0012","90","","1097.84","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.5 Fe3.5 O18 -","- C16 H16 Co1.49 Fe3.51 O18 -","- C32 H32 Co2.98 Fe7.02 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0454","0.0292","","","0.0617","0.067","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002140","9.4716","0.0005","9.4045","0.0005","12.4596","0.0006","90","","96.705","0.002","90","","1102.26","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co0.95 Fe4.05 O18 -","- C16 H16 Co0.95 Fe4.07 O18 -","- C32 H32 Co1.9 Fe8.14 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0452","0.0326","","","0.096","0.1018","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002141","9.5048","0.001","9.4721","0.001","12.4969","0.0013","90","","96.884","0.002","90","","1117","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0413","0.029","","","0.0686","0.0735","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002142","9.5106","0.0018","9.4976","0.0019","12.493","0.002","90","","96.947","0.006","90","","1120.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.075","0.0434","","","0.0961","0.109","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002143","9.5471","0.0006","9.5715","0.0006","12.5302","0.0007","90","","97.031","0.002","90","","1136.4","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0474","0.031","","","0.0694","0.076","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002144","10.0421","0.0003","15.3656","0.0004","5.5778","0.0002","90","","90","","90","","860.67","0.05","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Ca2 Ge Pd2 -","- Ca2 Ge Pd2 -","- Ca16 Ge8 Pd16 -","8","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0207","0.0175","","","0.0378","0.0384","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002145","9.6427","0.0003","5.6488","0.0006","7.9236","0.0004","90","","102.13","0.004","90","","421.96","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ca2 Ge Pt2 -","- Ca2 Ge Pt2 -","- Ca8 Ge4 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71069","MoKα","","0.0464","0.0293","","","0.0556","0.0584","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002146","10.017","0.002","5.7669","0.0012","7.7421","0.0015","90","","102.54","0.03","90","","436.57","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pd2 -","- Al Ca2 Pd2 -","- Al4 Ca8 Pd8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0209","0.0178","","","0.0408","0.0424","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002147","9.804","0.0008","5.7411","0.0005","7.7307","0.0007","90","","101.889","0.007","90","","425.79","0.06","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pt2 -","- Al Ca2 Pt2 -","- Al4 Ca8 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0329","0.0296","","","0.0715","0.073","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002148","34.4789","0.0009","29.8973","0.0006","16.2075","0.0004","90","","109.005","0.002","90","","15796.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 N14 O Zn2 -","- C54 H43 N14 O Zn2 -","- C432 H344 N112 O8 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.0591","0.0464","","","0.1353","0.1441","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002149","28.4095","0.0012","28.0922","0.0011","9.4743","0.0005","90","","90","","90","","7561.3","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H23 N7 O Zn -","- C27 H23 N7 O Zn -","- C216 H184 N56 O8 Zn8 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.1057","0.0805","","","0.2377","0.2657","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002150","35.157","0.008","29.716","0.006","16.278","0.004","90","","109.757","0.004","90","","16005","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H41 Cr2 N14 O8 Zn2 -","- C54 H41 Cr2 N14 O8 Zn2 -","- C432 H328 Cr16 N112 O64 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","0.71073","MoKα","","0.1286","0.1085","","","0.3157","0.3348","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002151","3.78733","0.00014","3.78733","0.00014","5.5144","0.0003","90","","90","","90","","79.098","0.006","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.91 Se -","- Fe0.91 Se -","- Fe1.82 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413734","","","0.0699","0.0716","","0.0668","0.0666","","","","0.97","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002152","3.77354","0.00005","3.77354","0.00005","5.52226","0.00012","90","","90","","90","","78.635","0.002","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe0.996 Se -","- Fe1.992 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.41373","","","0.0542","0.0538","","0.045","0.0448","","","","0.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002153","3.78372","0.00013","3.78372","0.00013","5.512","0.0003","90","","90","","90","","78.913","0.006","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.925 Se -","- Fe0.926 Se -","- Fe1.852 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0663","0.0651","","0.0605","0.0603","","","","0.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002154","3.77233","0.00004","3.77233","0.00004","5.52249","0.0001","90","","90","","90","","78.5876","0.0018","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe1.001 Se -","- Fe2.002 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0481","0.0472","","0.0455","0.0455","","","","1","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002155","7.188","0.005","23.171","0.019","7.044","0.005","90","","116.25","0.03","90","","1052.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Pb Se6 Si -","- Ga2 Pb Se6 Si -","- Ga8 Pb4 Se24 Si4 -","4","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0503","0.0368","","","0.0774","0.1209","","","","","","0.962","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002156","47.135","0.016","7.578","0.003","12.161","0.004","90","","90","","90","","4344","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Pb Se6 -","- Ga2 Ge Pb Se6 -","- Ga32 Ge16 Pb16 Se96 -","16","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0315","0.0269","","","0.0492","0.0507","","","","","","0.946","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002157","5.200894","0.000006","5.200894","0.000006","15.2684","","90","","90","","120","","357.668","0.0006","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.286 O8 Si1.714 Sr1.143 -","- Al2.2856 O8 Si1.7136 Sr1.1428 -","- Al4.5712 O16 Si3.4272 Sr2.2856 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41398","","","0.0268","0.0261","","0.0346","0.0344","","","","1.65","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002158","5.196294","0.000005","5.196294","0.000005","15.21997","0.00002","90","","90","","120","","355.903","0.0007","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.062 O8 Si1.938 Sr1.031 -","- Al2.0612 O8 Si1.938 Sr1.0306 -","- Al4.1224 O16 Si3.876 Sr2.0612 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0322","0.0318","","0.044","0.0439","","","","1.62","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002159","5.199956","0.000012","5.199956","0.000012","15.24875","0.00005","90","","90","","120","","357.079","0.0017","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.179 O8 Si1.82 Sr1.09 -","- Al2.1784 O8 Si1.8208 Sr1.0893 -","- Al4.3568 O16 Si3.6416 Sr2.1786 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41398","","","0.029","0.0289","","0.0417","0.0416","","","","2.31","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002160","5.202893","0.000006","5.202893","0.000006","15.29364","0.00003","90","","90","","120","","358.535","0.0009","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al1.174 O4 Si0.826 Sr0.587 -","- Al1.174 O4 Si0.8258 Sr0.58705 -","- Al4.696 O16 Si3.3032 Sr2.3482 -","4","0.166667","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0366","0.0356","","0.041","0.0407","","","","1.67","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002161","5.197476","0.000009","5.197476","0.000009","15.20507","0.00004","90","","90","","120","","355.716","0.0013","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al4 O16 Si4 Sr2 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0458","0.0456","","0.0589","0.0588","","","","1.82","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002162","7.2931","0.0015","15.612","0.003","13.557","0.003","90","","106.64","0.03","90","","1479","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- K Nb2 P Se10 -","- K Nb2 P Se10 -","- K4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.0728","0.0571","","","0.1307","0.1386","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002163","7.381","0.0015","7.8359","0.0016","13.564","0.003","90","","106.75","0.03","90","","751.2","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Nb2 P Rb Se10 -","- Nb2 P Rb Se10 -","- Nb4 P2 Rb2 Se20 -","2","1","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.06","0.0461","","","0.1067","0.1239","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002164","14.6257","0.0007","7.8097","0.0004","13.5533","0.0006","90","","98.557","0.004","90","","1530.86","0.13","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Cs Nb2 P Se10 -","- Cs Nb2 P Se10 -","- Cs4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.082","0.0577","","","0.1108","0.1214","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002165","6.2778","0.0013","11.601","0.002","14.431","0.003","90","","90","","90","","1051","0.4","293","","293","","","","","","","","synthesis as described","3","I b a m","-I 2 2c","72","","","","- Cs2 Hg3 S4 -","- Cs2 Hg3 S4 -","- Cs8 Hg12 S16 -","4","0.25","","Islam, Saiful M.; Vanishri, S.; Li, Hao; Stoumpos, Constantinos C.; Peters, John. A.; Sebastian, Maria; Liu, Zhifu; Wang, Shichao; Haynes, Alyssa S.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce; Kanatzidis, Mercouri G.","Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor","Chemistry of Materials","2015","27","1","370","","10.1021/cm504089r","","x-ray","0.71073","MoKα","","0.0512","0.0403","","","0.0825","0.0892","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002166","16.693","0.002","16.693","0.002","22.577","0.005","90","","90","","90","","6291.2","1.8","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mg Sb11 -","- Ca14 Mg Sb10.908 -","- Ca112 Mg8 Sb87.264 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0792","0.0394","","","0.0752","0.0907","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002167","16.625","0.009","16.625","0.009","22.24","0.02","90","","90","","90","","6147","7","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Yb14 -","- Mg Sb11 Yb14 -","- Mg8 Sb88 Yb112 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0256","0.0194","","","0.0381","0.0398","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002168","10.8196","0.0008","7.2809","0.0004","11.326","0.0009","90","","107.695","0.008","90","","850.01","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.71073","MoKα","","0.0895","0.0645","","","0.1618","0.1801","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002169","7.8585","0.0002","6.86473","0.00014","15.7136","0.0008","90","","96.429","0.004","90","","842.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.82103","synchrotron","","0.0301","0.028","","","0.0768","0.078","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002171","8.2365","0.0003","12.1468","0.0005","24.7923","0.0011","90","","90","","90","","2480.4","0.18","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B2 Mg O16 -","- C14 H36 B2 Mg O16 -","- C56 H144 B8 Mg4 O64 -","4","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0481","0.0362","","0.0874","0.0821","0.0874","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002172","10.4309","0.0003","14.533","0.0004","16.1153","0.0005","98.105","0.003","98.045","0.002","101.478","0.002","2334.38","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H52 B6 Ca3 O20 -","- C42 H52 B6 Ca3 O20 -","- C84 H104 B12 Ca6 O40 -","2","1","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0699","0.0513","","","0.119","0.1217","","","","","","1.832","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002173","11.233986","0.000014","30.92293","0.00004","8.6602","0.000013","90","","135.414","0.00006","90","","2111.87","0.005","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 B4 Mg2 O26 -","- C28 H60 B4 Mg2 O26 -","- C56 H120 B8 Mg4 O52 -","2","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","powder diffraction","","0.999942","synchrotron","","","","","","","","","5.6949","1.47","","","","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4002175","10.8672","0.0011","3.1543","0.0003","6.35","0.0006","90","","90","","90","","217.67","0.04","296","2","296","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- B3 Nb3 Ru3 -","- B3 Nb3 Ru3 -","- B6 Nb6 Ru6 -","2","0.25","","Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.","Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor","Chemistry of Materials","2015","27","4","1149","","10.1021/cm504449s","","","0.71073","MoKα","","0.0135","0.0115","","","0.0199","0.0203","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002176","31.5176","0.0003","31.5176","0.0003","31.5176","0.0003","90","","90","","90","","31308.3","0.5","130","2","130","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C57 H57 N6 O23 Tb4 -","- C57 H57.01 N6 O23 Tb4 -","- C912 H912.16 N96 O368 Tb64 -","16","0.333333","","Li, Hai-Yang; Wei, Yong-Li; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.","Novel Tb-MOF Embedded with Viologen Species for Multi-Photofunctionality: Photochromism, Photomodulated Fluorescence, and Luminescent pH Sensing","Chemistry of Materials","2015","27","4","1327","","10.1021/cm504350q","","","0.71073","MoKα","","0.0471","0.0459","","","0.1248","0.1257","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002177","14.7432","0.0002","14.7432","0.0002","14.7432","0.0002","90","","90","","90","","3204.61","0.08","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.28 Ba0.5 S1.33 Sn0.33 -","- Ag0.28425 Ba0.5 S1.33333 Sn0.333333 -","- Ag13.644 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0188","0.0185","","","0.0411","0.0413","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002178","14.7422","0.0007","14.7422","0.0007","14.7422","0.0007","90","","90","","90","","3204","0.3","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.32875 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.78 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0215","0.0215","","","0.0571","0.0571","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002179","14.7482","0.0003","14.7482","0.0003","14.7482","0.0003","90","","90","","90","","3207.87","0.11","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.33275 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.972 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.024","0.0239","","","0.0642","0.0643","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002180","14.9596","0.0002","14.9596","0.0002","14.9596","0.0002","90","","90","","90","","3347.8","0.08","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 S0.79 Se0.54 Sn0.33 -","- Ag0.3065 Ba0.5 S0.794333 Se0.539 Sn0.333333 -","- Ag14.712 Ba24 S38.128 Se25.872 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0202","0.0202","","","0.052","0.052","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002181","15.2983","0.0003","15.2983","0.0003","15.2983","0.0003","90","","90","","90","","3580.38","0.12","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 Se1.33 Sn0.33 -","- Ag0.3105 Ba0.5 Se1.33333 Sn0.333333 -","- Ag14.904 Ba24 Se64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0276","0.0266","","","0.0664","0.0672","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002182","9.5475","0.0003","9.5475","0.0003","7.1019","0.0005","90","","90","","120","","560.64","0.05","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","1","0.0833333","","An, Tao; Baikie, Tom; Weyland, Matthew; Shin, J. Felix; Slater, Peter R.; Wei, Jun; White, Tim J.","Crystal Chemical Analysis of Nd9.33Si6O26and Nd8Sr2Si6O26Apatite Electrolytes Using Aberration-Corrected Scanning Transmission Electron Microscopy and Impedance Spectroscopy","Chemistry of Materials","2015","27","4","1217","","10.1021/cm504009d","","x-ray","0.71069","MoKα","","0.031","0.0304","","","0.0477","0.0479","","","","3.29","3.29","3.29","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002183","32.985","0.007","8.9901","0.0019","34.432","0.007","90","","115.591","0.002","90","","9209","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 La N4 O10 -","- C36 H43 La N4 O10 -","- C288 H344 La8 N32 O80 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.072","0.0554","","","0.148","0.1546","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002184","32.84","0.03","8.998","0.008","34.21","0.03","90","","115.564","0.011","90","","9119","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1228","0.0639","","","0.1432","0.1713","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002185","32.14","0.02","9.156","0.006","26.864","0.018","90","","112.859","0.007","90","","7285","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1113","0.0625","","","0.1434","0.1565","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002186","32.599","0.005","8.8449","0.0014","34.246","0.008","90","","116.457","0.002","90","","8840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.0887","0.0507","","","0.0929","0.0991","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002187","13.362","0.004","20.179","0.006","20.186","0.007","76.11","0.04","72.33","0.03","72.24","0.03","4873","3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K2 Mo12 N6 O66 P -","- C48 Cr6 K1.998 Mo12 N6 O66 P -","- C96 Cr12 K3.996 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.1164","","","","0.3477","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002188","29.59","0.06","25.19","0.05","13.39","0.02","90","","91.23","0.04","90","","9978","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 Cr6 Mo12 N6 O66 P -","- C48 Cr6 Mo12 N6 O66 P -","- C192 Cr24 Mo48 N24 O264 P4 -","4","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.166","","","","0.4461","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002189","13.527","0.008","20.304","0.013","20.367","0.012","75.84","0.03","72.18","0.03","72.14","0.03","4998","5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K Mo12 N6 O66 P -","- C48 Cr6 K Mo12 N6 O66 P -","- C96 Cr12 K2 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.2332","","","","0.5534","","","","","","1.784","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002190","8.954","0.002","8.954","0.002","8.954","0.002","90","","90","","90","","717.9","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Ir4 Y3 -","- Ge13 Ir4 Y3 -","- Ge26 Ir8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0343","0.0321","","","0.0861","0.0879","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002191","8.939","0.001","8.939","0.001","8.939","0.001","90","","90","","90","","714.28","0.14","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.53 Lu3 Os4 -","- Ge12.54 Lu3 Os4 -","- Ge25.08 Lu6 Os8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0347","0.0333","","","0.0784","0.0789","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002192","8.8659","0.0007","8.8659","0.0005","8.8659","0.0005","90","","90","","90","","696.9","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Lu3 Rh4 -","- Ge13 Lu3 Rh4 -","- Ge26 Lu6 Rh8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0378","0.0289","","","0.0571","0.059","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002193","8.923","0.002","8.923","0.002","8.923","0.002","90","","90","","90","","710.4","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.93 Rh4 Y3 -","- Ge12.93 Rh4 Y3 -","- Ge25.86 Rh8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0419","0.0393","","","0.0971","0.099","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002194","8.9933","0.0009","8.9933","0.0009","8.9933","0.0009","90","","90","","90","","727.37","0.13","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.65 Os4 Y3 -","- Ge12.66 Os4 Y3 -","- Ge25.32 Os8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0345","0.0261","","","0.0563","0.0651","","","","","","1.163","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002195","8.6997","0.0006","8.6997","0.0006","8.6997","0.0006","90","","90","","90","","658.43","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Co4 Ge13 Lu3 -","- Co4 Ge13 Lu3 -","- Co8 Ge26 Lu6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0326","0.0305","","","0.0713","0.0718","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002196","10.427","0.0003","10.427","0.0003","10.427","0.0003","90","","90","","90","","1133.65","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga8.3 K8 Si37.3 -","- Ga8.42 K8 Si37.58 -","- Ga8.42 K8 Si37.58 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0203","0.0155","","","0.0371","0.0384","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002197","10.5339","0.0003","10.5339","0.0003","10.5339","0.0003","90","","90","","90","","1168.87","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Ga7.8 Si38.2 -","- Cs8 Ga7.764 Si38.236 -","- Cs8 Ga7.764 Si38.236 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0149","0.0127","","","0.0298","0.03","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002198","10.4433","0.0015","10.4433","0.0015","10.4433","0.0015","90","","90","","90","","1139","0.3","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga7.5 Rb8 Si38.5 -","- Ga7.456 Rb8 Si38.544 -","- Ga7.456 Rb8 Si38.544 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0371","0.0228","","","0.0435","0.0459","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002200","21.1713","0.0016","11.8611","0.0007","17.0191","0.0014","90","","113.864","0.004","90","","3908.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0269","0.0238","","","0.0587","0.0608","","","","","","1.076","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002201","12.027","0.0006","12.1954","0.0006","16.7873","0.0008","91.392","0.002","108.334","0.002","118.531","0.002","2007.96","0.18","220","2","220","2","","","","","","","","7","P -1","-P 1","2","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C54 H22 F36 La2 N12 O12 S8 -","2","1","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0658","0.0567","","","0.1469","0.1553","","","","","","1.059","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002202","21.6251","0.0039","12.1226","0.0025","17.5034","0.0054","90","","116.012","0.006","90","","4123.7","1.7","340","2","340","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0499","0.0408","","","0.1096","0.1174","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002203","8.357","0.002","5.95","0.001","19.356","0.003","90","","97.453","0.005","90","","954.3","0.3","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 S2 -","- C24 H20 S2 -","- C48 H40 S4 -","2","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","0.71075","MoKα","","0.0671","0.0486","","","0.1001","0.1148","","","","","","1.073","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002204","6.0866","0.0001","7.8111","0.0001","42.5972","0.0007","90","","91.8394","0.0007","90","","2024.16","0.05","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 S2 -","- C25 H22 S2 -","- C100 H88 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1132","0.0691","","","0.1837","0.2272","","","","","","1.016","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002205","5.9541","0.0001","38.9909","0.0001","15.7295","0.0007","90","","90.0471","0.0007","90","","3651.69","0.17","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 S2 -","- C23 H18 S2 -","- C184 H144 S16 -","8","2","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1119","0.0874","","","0.2305","0.2508","","","","","","1.036","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002206","6.0957","0.0001","7.8022","0.0001","44.243","0.003","90","","93.5107","0.0007","90","","2100.24","0.15","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5527","synchrotron","","0.1177","0.0756","","","0.2075","0.2299","","","","","","0.916","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002207","6.0861","0.0002","7.804","0.0003","49.128","0.001","90","","97.199","0.001","90","","2314.99","0.13","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H28 S2 -","- C28 H28 S2 -","- C112 H112 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5528","synchrotron","","0.0839","0.0771","","","0.2264","0.244","","","","","","1.15","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002208","23.976","0.008","23.976","","23.976","","90","","90","","90","","13783","5","110","","110","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- C240 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Wang, Di; Khalili Najafabadi, Bahareh; Huang, Yining; Corrigan, John F.","Controlled Solvothermal Routes to Hierarchical 3D Superparticles of Nanoscopic CdS","Chemistry of Materials","2015","27","10","3666","","10.1021/acs.chemmater.5b00586","","","0.71073","MoKα","","0.114","0.0752","","","0.2368","0.3065","","","","","","1.08","","","","has coordinates,has disorder","137845","2020-10-21","18:00:00",""
"4002209","32.116","0.002","4.6371","0.0003","12.3564","0.0008","90","","109.822","0.001","90","","1731.15","0.19","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd1.65 Eu11 Sb12 Zn4.35 -","- Cd1.678 Eu11 Sb12 Zn4.322 -","- Cd3.356 Eu22 Sb24 Zn8.644 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0569","0.0329","","","0.0571","0.0631","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002210","32.4248","0.0015","4.7079","0.0002","12.4035","0.0006","90","","109.917","0.001","90","","1780.18","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd5.06 Eu11 Sb12 Zn0.94 -","- Cd5.05 Eu11 Sb12 Zn0.95 -","- Cd10.1 Eu22 Sb24 Zn1.9 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0186","0.0176","","","0.0361","0.0364","","","","","","1.243","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002211","32.3927","0.0014","4.7025","0.0002","12.3961","0.0006","90","","109.891","0.001","90","","1775.61","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd4.74 Eu11 Sb12 Zn1.25 -","- Cd4.742 Eu11 Sb12 Zn1.258 -","- Cd9.484 Eu22 Sb24 Zn2.516 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0208","0.0189","","","0.0361","0.0367","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002212","7.916","0.0007","6.7366","0.0003","9.078","0.0008","90","","90.737","0.007","90","","484.06","0.06","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H3 N3 O3 -","- C3 H3 N3 O3 -","- C12 H12 N12 O12 -","4","0.5","","Söllradl, Stefan; Greiwe, Magnus; Bukas, Vanessa J.; Buchner, Magnus R.; Widenmeyer, Marc; Kandemir, Timur; Zweifel, Tobias; Senyshyn, Anatoliy; Günther, Sebastian; Nilges, Tom; Türler, Andreas; Niewa, Rainer","Nitrogen-Doping in ZnO via Combustion Synthesis?","Chemistry of Materials","2015","27","12","4188","","10.1021/cm504200q","","x-ray","0.71073","MoKα","","0.0539","0.0313","","","0.0777","0.079","","","","2.18","2.18","1.64","","","","has coordinates","288070","2023-12-06","12:50:29",""
"4002213","10.8754","0.0005","10.8754","0.0005","5.6042","0.0003","90","","90","","90","","662.83","0.06","100","2","100","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Hf5 Ru0.46 Sb2.54 -","- Hf5 Ru0.46 Sb2.54 -","- Hf20 Ru1.84 Sb10.16 -","4","0.125","","Xie, Weiwei; Luo, Huixia; Seibel, Elizabeth M.; Nielsen, Morten B.; Cava, Robert J.","Superconductivity in Hf5Sb3‒xRux: Are Ru and Sb a Critical Charge-Transfer Pair for Superconductivity?","Chemistry of Materials","2015","27","13","4511","","10.1021/acs.chemmater.5b01655","","","0.71073","MoKα","","0.017","0.016","","","0.0388","0.0391","","","","","","1.153","","","","has coordinates","154593","2020-10-21","18:00:00",""
"4002214","11.5276","0.0003","12.9749","0.0004","7.0126","0.0002","90","","105.584","0.0014","90","","1010.31","0.05","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.25","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0564","0.0452","","","0.1317","0.1477","","","","","","1.069","","","","has coordinates,has disorder","139984","2020-10-21","18:00:00",""
"4002215","11.573","0.0015","12.8479","0.0016","6.9092","0.0009","90","","107.053","0.002","90","","982.2","0.2","155","","155","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.5","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0552","0.0413","","","0.1217","0.1331","","","","","","1.094","","","","has coordinates,has disorder","139985","2020-10-21","18:00:00",""
"4002216","11.37","0.003","12.818","0.003","6.918","0.0017","90.884","0.004","107.171","0.004","94.998","0.004","958.7","0.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","1","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0551","0.0449","","","0.1124","0.1174","","","","","","1.061","","","","has coordinates","139986","2020-10-21","18:00:00",""
"4002217","3.93936","0.00001","3.93936","0.00001","3.93936","0.00001","90","","90","","90","","61.1332","0.0003","298","","298","","","","","","","","","4","P m -3 m","-P 4 2 3","221","lead cobalt rhenium oxide","","","- Cr0.5 O3 Pb Re0.5 -","- Cr0.495 O3 Pb Re0.505 -","- Cr0.495 O3 Pb Re0.505 -","1","0.0208333","","Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha","Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite","Chemistry of Materials","2015","27","12","4450","","10.1021/acs.chemmater.5b01442","powder diffraction","","0.70018","","","","","","","","","","0.014","4.23","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002218","5.1928","0.0002","9.5598","0.0004","18.9575","0.0008","90","","90","","90","","941.09","0.07","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Ni2 P4 Sr -","- Ni2 P4 Sr -","- Ni16 P32 Sr8 -","8","","","Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)","Chemistry of Materials","2015","27","12","4476","","10.1021/acs.chemmater.5b01592","","","0.71073","MoKα","","0.0099","0.0099","","","0.0264","0.0265","","","","","","1.224","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002450","6.6353","0.0003","7.1464","0.0004","13.7788","0.0007","79.537","0.005","84.127","0.004","62.494","0.005","569.75","0.06","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C6 H24 B20 O4 S2 -","2","1","","Thomas, John C.; Boldog, Ishtvan; Auluck, Harsharn S.; Bereciartua, Pablo J.; Dušek, Michal; Macháček, Jan; Bastl, Zdeněk; Weiss, Paul S.; Baše, Tomáš","Self-Assembledp-Carborane Analogue ofp-Mercaptobenzoic Acid on Au{111}","Chemistry of Materials","2015","27","15","5425","","10.1021/acs.chemmater.5b02263","","x-ray","1.54184","CuKα","","0.0687","0.0418","","","0.0929","0.1067","","","","1.54","1.54","1.48","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002451","9.5736","0.0002","9.49","0.0002","13.1739","0.0003","90","","90","","90","","1196.89","0.04","298","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Zirconium Magnesium Molybdate","","","- Mg Mo3 O12 Zr -","- Mg Mo3 O12 Zr -","- Mg4 Mo12 O48 Zr4 -","4","1","","Romao, Carl P.; Perras, Frédéric A.; Werner-Zwanziger, Ulrike; Lussier, Joey A.; Miller, Kimberly J.; Calahoo, Courtney M.; Zwanziger, Josef W.; Bieringer, Mario; Marinkovic, Bojan A.; Bryce, David L.; White, Mary Anne","Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties","Chemistry of Materials","2015","27","7","2633","2646","10.1021/acs.chemmater.5b00429","","x-ray","1.5406","CuKα~1~,Kα~2~","K-L~2,3~","","","","","","","","","","","","","","","","has coordinates","152692","2020-10-21","18:00:00",""
"4003148","44.271","0.002","44.271","0.002","44.271","0.002","90","","90","","90","","86768","7","228","2","228","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MTAF-2","","","- C30 H12 Cu6 N9 O23.5 -","- C30 H12 Cu6 N9 O23.5 -","- C960 H384 Cu192 N288 O752 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.1083","0.0911","","","0.2572","0.2757","","","","","","1.079","","","","has coordinates,has disorder","231389","2020-10-21","18:00:00",""
"4003149","44.588","0.003","44.588","0.003","44.588","0.003","90","","90","","90","","88645","10","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MPAF-1","","","- C33 H15 Cu6 N6 O19 -","- C33 H15 Cu6 N6 O19 -","- C1056 H480 Cu192 N192 O608 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.0751","0.0674","","","0.2084","0.2133","","","","","","1.08","","","","has coordinates,has disorder","231390","2020-10-21","18:00:00",""
"4003150","12.9801","0.0015","15.4628","0.0018","17.708","0.002","93.992","0.002","90.777","0.002","94.773","0.002","3532.6","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C142 H112.4 Cu6 F18 N16 O30.2 S6 -","2","1","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.71073","MoKα","","0.0855","0.0559","","","0.1429","0.1618","","","","","","1.032","","","","has coordinates,has disorder","231391","2020-10-21","18:00:00",""
"4003151","13.0883","0.0004","13.0883","0.0004","26.7939","0.001","90","","90","","90","","4589.9","0.3","100","0.2","100","0.2","","","","","","","","7","P 42 2 2","P 4c 2","93","","","","- C35 H26 Cu F3 N4 O6 S -","- C35 H26 Cu F3 N4 O6 S -","- C140 H104 Cu4 F12 N16 O24 S4 -","4","0.5","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.7107","MoKα","","0.1029","0.0777","","","0.2273","0.2473","","","","","","1.076","","","","has coordinates","231392","2020-10-21","18:00:00",""
"4003152","5.839","0.002","6.39","0.003","15.961","0.007","90","","98.826","0.006","90","","588.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl Li N O -","- C3 H7 Cl Li N O -","- C12 H28 Cl4 Li4 N4 O4 -","4","1","","Chinnam, Parameswara R.; Clymer, Rebecca N.; Jalil, Abdel Aziz; Wunder, Stephanie L.; Zdilla, Michael J.","Bulk-Phase Ion Conduction in Cocrystalline LiCl·N,N-Dimethylformamide: A New Paradigm for Solid Electrolytes Based upon the Pearson Hard‒Soft Acid‒Base Concept","Chemistry of Materials","2015","27","16","5479","","10.1021/acs.chemmater.5b00940","","","0.71073","MoKα","","0.1076","0.0539","","","0.1082","0.1243","","","","","","1.009","","","","has coordinates","231393","2020-10-21","18:00:00",""
"4003153","19.594","0.01","8.739","0.004","18.853","0.01","90","","99.234","0.009","90","","3186","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N4 O2 P -","- C16 H17 N4 O2 P -","- C128 H136 N32 O16 P8 -","8","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0395","0.032","","","0.0809","0.0854","","","","","","1.052","","","","has coordinates","231394","2020-10-21","18:00:00",""
"4003154","23.781","0.005","23.781","0.005","11.844","0.003","90","","90","","90","","6698","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H30 Cu N10 O8 P2 -","- C32 H30 Cu N10 O8 P2 -","- C256 H240 Cu8 N80 O64 P16 -","8","0.5","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0912","0.0436","","","0.085","0.1003","","","","","","1.005","","","","has coordinates","231395","2020-10-21","18:00:00",""
"4003155","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Cu N10 O12.5 P2 -","- C33 H33 Cu N10 O12.5 P2 -","- C132 H132 Cu4 N40 O50 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.2004","0.1103","","","0.2813","0.3448","","","","","","1.044","","","","has coordinates,has disorder","231396","2020-10-21","18:00:00",""
"4003156","8.433","0.003","9.174","0.004","10.074","0.004","80.921","0.007","80.814","0.007","89.836","0.008","759.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N4 O P -","- C16 H15 N4 O P -","- C32 H30 N8 O2 P2 -","2","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0426","0.0383","","","0.1037","0.1072","","","","","","1.058","","","","has coordinates","231397","2020-10-21","18:00:00",""
"4003157","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H34 Cu N10 O10 P2 -","- C32 H30 Cu N10 O10 P2 -","- C128 H120 Cu4 N40 O40 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.1609","0.0992","","","0.2592","0.298","","","","","","0.894","","","","has coordinates,has disorder","231398","2020-10-21","18:00:00",""
"4003158","6.128","0.0015","7.5805","0.0019","28.009","0.007","90","","94.509","0.007","90","","1297.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 S4 -","- C38 H20 S4 -","- C76 H40 S8 -","2","0.5","","Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo","Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure‒Property Relationship","Chemistry of Materials","2015","27","14","5049","","10.1021/acs.chemmater.5b01608","","","0.6997","synchrotron","","0.1377","0.0803","","","0.1875","0.2287","","","","","","1.182","","","","has coordinates","231399","2020-10-21","18:00:00",""
"4003159","28.32","0.005","28.32","0.005","12.835","0.003","90","","90","","120","","8915","3","298","","298","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H15 La N O18.39 -","- C26.0001 H14.0001 La N0.9999 O18.3928 -","- C234.001 H126.001 La9 N8.9991 O165.535 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","0.827107","Synchrotron","","","","","","","","","0.0097","1.065","","","","","","","has coordinates","231400","2020-10-21","18:00:00",""
"4003160","24.1843","0.0005","24.1843","0.0005","13.0217","0.0005","90","","90","","120","","6595.8","0.3","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0608","0.0432","","","0.0797","0.0842","","","","","","1.004","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003161","24.2009","0.0007","24.2009","0.0007","12.9648","0.0006","90","","90","","120","","6576","0.4","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H14 La N O9 -","- C21 H14 La N O9 -","- C189 H126 La9 N9 O81 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0578","0.0472","","","0.0979","0.1022","","","","","","1.047","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003162","24.197","0.0006","24.197","0.0006","13.1426","0.0004","90","","90","","120","","6664","0.3","323","2","323","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0582","0.0445","","","0.0928","0.0985","","","","","","1.022","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003163","24.2447","0.0008","24.2447","0.0008","13.1705","0.0008","90","","90","","120","","6704.5","0.5","373","2","373","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.073","0.0479","","","0.1069","0.1166","","","","","","0.976","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003164","24.2372","0.0012","24.2372","0.0012","13.2135","0.0011","90","","90","","120","","6722.2","0.7","423","2","423","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1015","0.0591","","","0.0851","0.094","","","","","","0.979","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003165","24.313","0.002","24.313","0.002","13.184","0.002","90","","90","","120","","6749.2","1.3","473","2","473","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1352","0.0695","","","0.1387","0.1554","","","","","","1.026","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003166","24.25","0.009","24.25","0.009","13.093","0.012","90","","90","","120","","6668","7","500","2","500","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O6 -","- C21 H12 La N O6 -","- C189 H108 La9 N9 O54 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.2265","0.0833","","","0.1168","0.1382","","","","","","0.916","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003167","24.1719","0.0012","24.1719","0.0012","13.011","0.0012","90","","90","","120","","6583.6","0.8","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0911","0.0648","","","0.1059","0.1148","","","","","","0.99","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003168","24.188","0.0009","24.188","0.0009","13.1489","0.0011","90","","90","","120","","6662.2","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 Ce N O7 -","- C21 H12 Ce N O7 -","- C189 H108 Ce9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0668","0.0513","","","0.1102","0.1179","","","","","","1.036","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003169","35.242","0.0019","35.242","0.0019","13.493","0.005","90","","90","","120","","14513","5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C33 H15 Eu O20.9 -","- C33 H15 Eu O20.9098 -","- C297 H135 Eu9 O188.188 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0092","1.581","","","","","","","has coordinates","231402","2020-10-21","18:00:00",""
"4003170","24.104","0.0015","12.539","0.0008","17.9067","0.0011","90","","113.374","0.003","90","","4968","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Cu2 I2 N8 O5 -","- C50 H48 Cu2 I2 N8 O5 -","- C200 H192 Cu8 I8 N32 O20 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0941","0.0595","","","0.1435","0.1695","","","","","","1.072","","","","has coordinates","231403","2020-10-21","18:00:00",""
"4003171","24.448","0.003","12.4621","0.0012","17.8907","0.0019","90","","113.418","0.005","90","","5001.8","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cu2 I2 N10 O4 -","- C53 H48 Cu2 I2 N10 O4 -","- C212 H192 Cu8 I8 N40 O16 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0576","0.0515","","","0.1683","0.1768","","","","","","1.089","","","","has coordinates","231404","2020-10-21","18:00:00",""
"4003172","24.457","0.002","12.2391","0.0011","18.0357","0.0014","90","","113.779","0.005","90","","4940.4","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu I N3 O3 -","- C24 H21 Cu I N3 O3 -","- C192 H168 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0708","0.0465","","","0.1226","0.141","","","","","","1.051","","","","has coordinates","231405","2020-10-21","18:00:00",""
"4003173","12.681","0.003","13.34","0.003","17.761","0.004","69.389","0.009","89.016","0.01","63.4","0.009","2478.9","1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cu2 F I2 N6 O3 -","- C50 H39 Cu2 F I2 N6 O3 -","- C100 H78 Cu4 F2 I4 N12 O6 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0825","0.0579","","","0.1641","0.184","","","","","","1.062","","","","has coordinates","231406","2020-10-21","18:00:00",""
"4003174","23.8814","0.001","12.9205","0.0005","17.5755","0.0007","90","","112.522","0.002","90","","5009.5","0.4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Br Cu2 I2 N6 O2 -","- C50 H38 Br Cu2 I2 N6 O2 -","- C200 H152 Br4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0895","0.0748","","","0.2224","0.2346","","","","","","1.136","","","","has coordinates","231407","2020-10-21","18:00:00",""
"4003175","24.5691","0.0008","12.317","0.0004","18.0299","0.0006","90","","114.046","0.002","90","","4982.7","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H34 Cu2 I2 N10 O2 -","- C59 H34 Cu2 I2 N10 O2 -","- C236 H136 Cu8 I8 N40 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.066","0.0523","","","0.1382","0.1578","","","","","","1.011","","","","has coordinates","231408","2020-10-21","18:00:00",""
"4003176","23.6086","0.0015","12.9371","0.0008","17.5536","0.0011","90","","112.57","0.003","90","","4950.7","0.5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cu I N4 O3 -","- C25 H19 Cu I N4 O3 -","- C200 H152 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1432","0.0553","","","0.1076","0.1353","","","","","","0.95","","","","has coordinates","231409","2020-10-21","18:00:00",""
"4003177","23.9138","0.0009","12.8156","0.0005","17.636","0.0006","90","","112.655","0.002","90","","4987.9","0.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cl Cu2 I2 N6 O2 -","- C50 H38 Cl Cu2 I2 N6 O2 -","- C200 H152 Cl4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0965","0.0676","","","0.203","0.2208","","","","","","1.155","","","","has coordinates","231410","2020-10-21","18:00:00",""
"4003178","24.97","0.05","12.02","0.02","18.21","0.03","90","","113.5","0.03","90","","5012","15","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cu I N3 O2 S -","- C24 H23 Cu I N3 O2 S -","- C192 H184 Cu8 I8 N24 O16 S8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1996","0.0835","","","0.1672","0.2116","","","","","","0.975","","","","has coordinates","231411","2020-10-21","18:00:00",""
"4003179","24.26","0.003","12.6267","0.0012","17.8971","0.0017","90","","113.86","0.005","90","","5013.8","0.9","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu I N4 O3 -","- C28 H22 Cu I N4 O3 -","- C224 H176 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0613","0.0488","","","0.1353","0.1434","","","","","","1.043","","","","has coordinates,has disorder","231412","2020-10-21","18:00:00",""
"4003180","24.404","0.003","12.3305","0.0014","17.9345","0.0019","90","","113.07","0.006","90","","4965.1","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu I N6 O -","- C24 H20 Cu I N6 O -","- C192 H160 Cu8 I8 N48 O8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1065","0.0705","","","0.1893","0.2108","","","","","","1.215","","","","has coordinates","231413","2020-10-21","18:00:00",""
"4003181","12.5823","0.0008","13.544","0.0008","17.5152","0.0011","68.665","0.002","89.462","0.002","64.914","0.002","2480.6","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cu2 I2 N8 O2 -","- C54 H44 Cu2 I2 N8 O2 -","- C108 H88 Cu4 I4 N16 O4 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0384","0.0342","","","0.103","0.1063","","","","","","1.073","","","","has coordinates","231414","2020-10-21","18:00:00",""
"4003182","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","231415","2020-10-21","18:00:00",""
"4003183","10.4299","0.0016","11.9506","0.0018","13.855","0.002","99.954","0.003","101.968","0.003","107.734","0.003","1556.6","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0571","0.0464","","","0.1226","0.1316","","","","","","1.047","","","","has coordinates","231416","2020-10-21","18:00:00",""
"4003184","19.089","0.002","10.2565","0.0013","21.225","0.003","90","","91.282","0.002","90","","4154.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 Cl9 O8 -","- C91 H75 Cl9 O8 -","- C182 H150 Cl18 O16 -","2","0.5","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.1023","0.0874","","","0.2494","0.2639","","","","","","1.09","","","","has coordinates,has disorder","231417","2020-10-21","18:00:00",""
"4003185","10.4082","0.0013","10.5164","0.0014","29.494","0.004","90","","93.522","0.002","90","","3222.2","0.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 -","- C44 H36 -","- C176 H144 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0733","0.0487","","","0.1129","0.1267","","","","","","1.013","","","","has coordinates","231418","2020-10-21","18:00:00",""
"4003186","19.988","0.001","19.988","0.001","13.3947","0.0009","90","","90","","90","","5351.5","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C0.71 O2 Si -","- C0.541667 O2.33333 Si -","- C52 O224 Si96 -","96","12","","Santoro, Mario; Dziubek, Kamil; Scelta, Demetrio; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Rouquette, Jerome; Hermet, Patrick; van der Lee, Arie; Haines, Julien","High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite","Chemistry of Materials","2015","27","19","6486","","10.1021/acs.chemmater.5b02596","","x-ray","1.54184","CuKα","","0.104","0.0918","","","0.2453","0.259","","","","","","1.037","","","","has coordinates","231419","2020-10-21","18:00:00",""
"4003187","4.7594","0.0016","13.444","0.003","16.816","0.006","107.754","0.014","95.034","0.016","90.919","0.019","1019.7","0.6","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","0.71073","MoKα","","0.1792","0.0956","","","0.2605","0.3132","","","","","","1.046","","","","has coordinates,has disorder","231420","2020-10-21","18:00:00",""
"4003188","5.3741","0.0011","8.3251","0.0016","18.155","0.003","93.296","0.01","93.705","0.01","98.532","0.01","799.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DC-NDTI8","DCNDTI","","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","1.54187","CuKα","","0.1078","0.066","","","0.1725","0.2258","","","","","","1.158","","","","has coordinates,has disorder","231421","2020-10-21","18:00:00",""
"4003189","19.855","0.007","12.366","0.004","10.331","0.003","90","","119.994","0.008","90","","2196.8","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H36 Au N3 Si2 -","- C15 H36 Au N3 Si2 -","- C60 H144 Au4 N12 Si8 -","4","0.5","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.0148","0.0142","","","0.0363","0.0366","","","","","","1.082","","","","has coordinates","231422","2020-10-21","18:00:00",""
"4003190","9.5789","0.0014","6.9929","0.001","17.858","0.003","90","","91.031","0.002","90","","1196","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Au Cl N2 -","- C9 H18 Au Cl N2 -","- C36 H72 Au4 Cl4 N8 -","4","1","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.04","0.0258","","","0.0535","0.0588","","","","","","1.031","","","","has coordinates","231423","2020-10-21","18:00:00",""
"4003204","8.8022","0.0002","4.603","0.0001","22.6036","0.0004","90","","90.6026","0.0008","90","","915.77","0.03","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NSz2T","NSz2T","","- C20 H12 N4 S2 Se2 -","- C20 H12 N4 S2 Se2 -","- C40 H24 N8 S4 Se4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0386","0.0364","","","0.094","0.1057","","","","","","0.896","","","","has coordinates","231425","2020-10-21","18:00:00",""
"4003205","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NTz2T","NTz2T","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","231426","2020-10-21","18:00:00",""
"4003206","4.7463","0.0001","10.0444","0.0002","17.8813","0.0003","90","","96.1637","0.0013","90","","847.54","0.03","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NOz2T","NOz2T","","- C20 H12 N4 O2 S2 -","- C20 H12 N4 O2 S2 -","- C40 H24 N8 O4 S4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0543","0.0451","","","0.1123","0.1195","","","","","","1.05","","","","has coordinates","231427","2020-10-21","18:00:00",""
"4003207","6.1351","0.0001","8.9483","0.0002","12.4437","0.0003","93.009","0.001","99.232","0.001","94.8946","0.0016","670.31","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","1","0.5","","Ahmet, Ibbi Y.; Hill, Michael S.; Johnson, Andrew L.; Peter, Laurence M.","Polymorph-Selective Deposition of High Purity SnS Thin Films from a Single Source Precursor","Chemistry of Materials","2015","27","22","7680","","10.1021/acs.chemmater.5b03220","","","0.71073","MoKα","","0.0467","0.0437","","","0.1103","0.1118","","","","","","1.174","","","","has coordinates","231428","2020-10-21","18:00:00",""
"4003208","3.629473","","9.812765","","18.426905","","90","","90","","118.042","","579.231","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- C5 N5 O -","- C20 N20 O4 -","- C20 N20 O4 -","1","0.25","","Hirsch, Anna; Gur, Dvir; Polishchuk, Iryna; Levy, Davide; Pokroy, Boaz; Cruz-Cabeza, Aurora J.; Addadi, Lia; Kronik, Leeor; Leiserowitz, Leslie","“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine","Chemistry of Materials","2015","27","24","8289","","10.1021/acs.chemmater.5b03549","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","231429","2020-10-21","18:00:00",""
"4003209","11.824","0.005","11.824","0.005","11.824","0.005","90","","90","","90","","1653.1","1.2","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C0.17 H0.5 F0.1 N0.04 O2 Si -","- C0.1666 H0.4998 F0.10325 N0.0416667 O2 Si -","- C3.9984 H11.9952 F2.478 N O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0427","0.0296","","","0.075","0.0798","","","","","","1.123","","","","has coordinates,has disorder","231430","2020-10-21","18:00:00",""
"4003210","11.857","0.004","11.857","0.004","11.857","0.004","90","","90","","90","","1667","1","100","","100","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.085","0.0449","","","0.0833","0.0933","","","","","","1.152","","","","has coordinates","231431","2020-10-21","18:00:00",""
"4003211","11.813","0.003","11.813","0.003","11.813","0.003","90","","90","","90","","1648.5","0.7","100","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F0.08 O2 Si -","- F0.08425 O2 Si -","- F2.022 O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0623","0.0497","","","0.1145","0.1188","","","","","","1.099","","","","has coordinates","231432","2020-10-21","18:00:00",""
"4003212","5.0182","0.0006","5.0182","0.0006","8.355","0.002","90","","90","","120","","182.21","0.05","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F K O3 Zn -","- C F K O3 Zn -","- C2 F2 K2 O6 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0107","0.0106","","","0.0233","0.0234","","","","","","1.018","","","","has coordinates","231433","2020-10-21","18:00:00",""
"4003213","5.1349","0.0013","5.1349","0.0013","8.846","0.004","90","","90","","120","","202","0.12","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F K O3 -","- C Cd F K O3 -","- C2 Cd2 F2 K2 O6 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0105","0.0104","","","0.0247","0.0247","","","","","","1.227","","","","has coordinates","231434","2020-10-21","18:00:00",""
"4003214","5.2109","0.0007","5.2109","0.0007","9.0645","0.0019","90","","90","","120","","213.16","0.06","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F O3 Rb -","- C Cd F O3 Rb -","- C2 Cd2 F2 O6 Rb2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0128","0.0116","","","0.0244","0.025","","","","","","1.183","","","","has coordinates","231435","2020-10-21","18:00:00",""
"4003215","5.1035","0.0009","5.1035","0.0009","8.619","0.004","90","","90","","120","","194.41","0.1","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F O3 Rb Zn -","- C F O2.997 Rb Zn -","- C2 F2 O5.994 Rb2 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0228","0.0172","","","0.032","0.0332","","","","","","1.01","","","","has coordinates,has disorder","231436","2020-10-21","18:00:00",""
"4003419","5.09","0.0002","9.28","0.0003","9.3946","0.0003","84.733","0.001","84.283","0.001","89.235","0.001","439.68","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0518","0.0524","","","","","","1.177","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003420","8.4718","0.0001","8.612","0.0001","10.6612","0.0001","86.056","0.001","81.895","0.001","86.063","0.001","766.869","0.015","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0368","0.0263","","","0.0642","0.0674","","","","","","1.059","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003421","8.3765","0.0002","8.4243","0.0002","10.8307","0.0003","90.153","0.002","92.457","0.002","92.463","0.001","762.86","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0354","0.0266","","","0.0633","0.0656","","","","","","1.065","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003422","8.2802","0.0007","8.508","0.0007","11.2279","0.0009","80.18","0.0019","79.306","0.002","86.825","0.0019","765.63","0.11","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0631","0.0422","","","0.1043","0.1138","","","","","","1.037","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003423","11.6264","0.00015","8.091","0.0001","14.8596","0.00019","90","","104.857","0.0006","90","","1351.1","0.03","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au2 Br4 Cu N4 O8 -","- C12 H24 Au2 Br4 Cu N4 O8 -","- C24 H48 Au4 Br8 Cu2 N8 O16 -","2","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0722","0.0345","","","0.0559","0.0636","","","","","","1.007","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003424","19.8327","0.0004","13.9821","0.0003","19.8634","0.0005","90","","118.153","0.001","90","","4856.51","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C96 H160 Au16 Cl32 Cu8 N32 O48 -","8","2","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0369","0.0304","","","0.0588","0.0608","","","","","","1.067","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003425","18.5292","0.0003","18.5292","0.0003","19.6529","0.0004","90","","90","","120","","5843.47","0.18","150","2","150","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C62 H62 Au6 Cu3 N22 O6 -","- C62 H62 Au6 Cu3 N22 O6 -","- C186 H186 Au18 Cu9 N66 O18 -","3","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0434","0.03","","","0.064","0.0713","","","","","","1.202","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4030365","7.4398","0.0009","16.709","0.002","18.329","0.002","90","","90","","90","","2278.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C100 H120 N8 O16 -","4","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0482","0.0412","","","0.1033","0.1076","","","","","","1.044","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030366","7.9977","0.0016","9.4736","0.0018","15.462","0.003","90","","101.002","0.004","90","","1150","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C46 H68 N4 O8 -","2","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0535","0.0461","","","0.1195","0.1253","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030382","11.1","0.003","12.008","0.003","16.129","0.004","97.232","0.006","104.7","0.005","116.149","0.005","1795.3","0.8","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C47.25 H44 N4 -","- C42 H38 N4 -","- C84 H76 N8 -","2","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1301","0.0641","","","0.1286","0.1446","","","","","","0.88","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030383","9.5372","0.0009","13.6718","0.0012","13.9866","0.0014","90","","90","","90","","1823.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0556","0.041","","","0.0903","0.0981","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030384","9.2664","0.0009","14.6024","0.0014","20.5848","0.0019","100.749","0.002","101.079","0.002","90.815","0.002","2681.9","0.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H28 N2 -","- C37 H28 N2 -","- C148 H112 N8 -","4","2","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.1498","0.0588","","","0.1037","0.1355","","","","","","0.945","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030385","13.045","0.003","8.467","0.002","16.568","0.004","90","","100.535","0.005","90","","1799.1","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C92 H96 N8 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0515","0.0449","","","0.1007","0.1057","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030388","5.7652","0.0015","14.062","0.004","20.949","0.005","90","","90","","90","","1698.3","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(<i>R</i>,<i>E</i>)-4-(4-bromophenyl)-2-hydroxy-2-(2-oxo-2-phenyethyl) but-3-enoate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0627","0.0566","","","0.1283","0.1328","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030389","7.422","0.002","10.122","0.003","16.852","0.005","90","","90","","90","","1266","0.6","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2[(S)-2-(4-bromophneyl)-1-hydroxy-2-oxoethyl]cyclohexanone","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C56 H60 Br4 O12 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0594","0.0568","","","0.1337","0.1356","","","","","","0.998","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030390","28.5414","0.0012","6.3924","0.0003","31.3881","0.0014","90","","109.225","0.002","90","","5407.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 I3 N3 -","- C28 H24 I3 N3 -","- C224 H192 I24 N24 -","8","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","","0.71073","MoKα","","0.0748","0.0428","","","0.1111","0.1352","","","","","","0.843","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030391","7.8579","0.0012","10.9549","0.0015","19.72","0.003","75.763","0.005","80.428","0.005","80.484","0.005","1608.7","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl3 Fe2 Si -","- C36 H31 Cl3 Fe2 Si -","- C72 H62 Cl6 Fe4 Si2 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.1343","0.0823","","","0.2143","0.2491","","","","","","1.043","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030392","7.1349","0.0004","11.2698","0.0005","16.4853","0.0008","79.288","0.002","87.269","0.003","79.285","0.002","1279.64","0.11","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br3 N3 -","- C28 H24 Br3 N3 -","- C56 H48 Br6 N6 -","2","1","","Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François","Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.","The Journal of organic chemistry","2015","80","2","882","896","10.1021/jo502367h","","x-ray","0.71073","MoKα","","0.0709","0.0502","","","0.1164","0.127","","","","","","1.025","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030393","11.8271","0.0004","12.1644","0.0004","20.9525","0.0006","90","","92.288","0.003","90","","3012.02","0.17","446","2","446","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,2,3,4-tetrahydro-1,10-phenanthroline-2,4-diyl)bis(diphenylphosphine oxide)","","- C36 H30 N2 O2 P2 -","- C36 H30 N2 O2 P2 -","- C144 H120 N8 O8 P8 -","4","1","","Gao, Yuxing; Deng, Honggui; Zhang, Shanshan; Xue, Wanhua; Wu, Yile; Qiao, Hongwei; Xu, Pengxiang; Zhao, Yufen","Nickel-catalyzed one-pot tandem 1,4-1,2-addition of p(o)h compounds to 1,10-phenanthrolines.","The Journal of organic chemistry","2015","80","2","1192","1199","10.1021/jo501842p","","","0.71073","MoKα","","0.0752","0.0537","","","0.1034","0.111","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030396","24.1196","0.0012","4.5707","0.0002","25.3434","0.0012","90","","116.037","0.006","90","","2510.4","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O3 -","- C15 H9 F3 O3 -","- C120 H72 F24 O24 -","8","2","","Dai, Jian-Jun; Xu, Wen-Tao; Wu, Ya-Dong; Zhang, Wen-Man; Gong, Ying; He, Xia-Ping; Zhang, Xin-Qing; Xu, Hua-Jian","Silver-Catalyzed C(sp(2))-H Functionalization/C-O Cyclization Reaction at Room Temperature.","The Journal of organic chemistry","2015","80","2","911","919","10.1021/jo5024238","","","1.54184","CuKα","","0.0907","0.0621","","","0.1622","0.1832","","","","","","1.086","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030397","8.799","0.002","9.982","0.003","10.691","0.003","82.958","0.003","78.274","0.003","87.522","0.004","912.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C44 H34 N2 O6 S2 -","2","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0709","0.0496","","","0.1425","0.1601","","","","","","1.08","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030398","16.205","0.003","7.345","0.002","14.907","0.002","90","","107.902","0.003","90","","1688.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 S -","- C18 H14 Br N O3 S -","- C72 H56 Br4 N4 O12 S4 -","4","1","","Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei","Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.","The Journal of organic chemistry","2015","80","2","1269","1274","10.1021/jo5026095","","","0.71069","MoKα","","0.0918","0.046","","","0.1184","0.1424","","","","","","1.012","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030399","6.205","0.0014","8.1355","0.0018","35.791","0.008","90","","90","","90","","1806.8","0.7","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Br N2 O3 -","- C16 H27 Br N2 O3 -","- C64 H108 Br4 N8 O12 -","4","1","","Zheng, Xiao; Liu, Juan; Ye, Chen-Xi; Wang, Ao; Wang, Ai-E; Huang, Pei-Qiang","SmI2-Mediated Radical Coupling Strategy to Securinega Alkaloids: Total Synthesis of (-)-14,15-Dihydrosecurinine and Formal Total Synthesis of (-)-Securinine.","The Journal of organic chemistry","2015","80","2","1034","1041","10.1021/jo502522x","","","0.71073","MoKα","","0.053","0.0388","","","0.0894","0.0945","","","","","","0.9612","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4030407","9.5062","0.0003","19.6014","0.0006","12.7805","0.0005","90","","103.203","0.004","90","","2318.5","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br P Pd -","- C28 H28 Br P Pd -","- C112 H112 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0434","0.0282","","","0.0534","0.0551","","","","","","0.886","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030408","10.0947","0.0006","10.738","0.0005","12.1614","0.0005","102.574","0.004","108.942","0.005","98.328","0.004","1183.34","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 I P Pd -","- C28 H28 I P Pd -","- C56 H56 I2 P2 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0433","0.0277","","","0.053","0.0558","","","","","","0.933","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030409","10.13","0.0001","18.4054","0.0002","21.491","0.0003","90","","102.291","0.0007","90","","3915.08","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 B F4 P2 Pd -","- C46 H43 B F4 P2 Pd -","- C184 H172 B4 F16 P8 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0559","0.0412","","","0.1022","0.1123","","","","","","1.036","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030410","13.3791","0.0003","9.9376","0.0002","19.0528","0.0005","90","","97.985","0.002","90","","2508.63","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Br P Pd -","- C29 H30 Br P Pd -","- C116 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0302","0.0208","","","0.0437","0.0446","","","","","","0.92","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030411","9.7334","0.0002","15.2486","0.0002","16.0612","0.0003","87.8046","0.001","80.8502","0.0011","72.6476","0.001","2246.27","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.59 H53.82 Br O0.71 P2 Pd -","- C51.59 H53.82 Br O0.705 P2 Pd -","- C103.18 H107.64 Br2 O1.41 P4 Pd2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0582","0.044","","","0.1022","0.1094","","","","","","1.02","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030412","10.1335","0.0003","6.3717","0.0003","31.1401","0.001","90","","90","","90","","2010.64","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C80 H104 I8 O16 -","8","2","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0311","0.0269","","","0.0566","0.0588","","","","","","1.085","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030413","6.6232","0.0005","9.2703","0.0007","16.0938","0.0016","90","","91.834","0.008","90","","987.64","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I O2 -","- C10 H13 I O2 -","- C40 H52 I4 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0535","0.0467","","","0.1105","0.1138","","","","","","1.177","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030414","12.7135","0.0012","8.5955","0.0008","8.7809","0.0007","90","","101.702","0.008","90","","939.62","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0997","0.0759","","","0.194","0.2189","","","","","","1.059","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030415","6.4001","0.0002","8.8476","0.0002","19.4784","0.0005","90","","90","","90","","1102.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O4 S -","- C11 H16 O4 S -","- C44 H64 O16 S4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0453","0.0345","","","0.0746","0.08","","","","","","1.062","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030416","7.2398","0.0004","9.5416","0.0004","14.6831","0.0009","90.04","0.004","81.463","0.005","85.164","0.004","999.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 O3 P -","- C24 H27 O3 P -","- C48 H54 O6 P2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0505","0.0401","","","0.1002","0.109","","","","","","1.046","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030417","10.548","0.0005","20.8588","0.001","7.67","0.0003","90","","110.904","0.002","90","","1576.47","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C68 H72 N16 O16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.1401","0.1035","","","0.2705","0.2965","","","","","","1.058","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030418","10.0125","0.0002","19.3538","0.0004","13.1438","0.0002","90","","105.824","0.001","90","","2450.48","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Br P Pd -","- C30 H30 Br P Pd -","- C120 H120 Br4 P4 Pd4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0475","0.0321","","","0.0706","0.0766","","","","","","1.037","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030436","30.367","0.003","11.8122","0.0009","19.5189","0.0016","90","","96.413","0.002","90","","6957.6","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C304 H288 B16 F32 N48 O32 -","16","2","","Yu, Mingfeng; Wong, Joseph K.-H.; Tang, Cyril; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.","Efficient deprotection of F-BODIPY derivatives: removal of BF2 using Brønsted acids.","Beilstein journal of organic chemistry","2015","11","","37","41","10.3762/bjoc.11.6","","","0.71073","MoKα","","0.0551","0.0415","","","0.1284","0.1487","","","","","","1.464","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030449","9.6997","0.0007","9.9793","0.0006","10.2055","0.0007","66.838","0.004","73.565","0.004","80.221","0.004","869.2","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Webster, S.; Young, P. C.; Barker, G.; Rosair, G. M.; Lee, A.-L.","Dehydrative Thiolation of Allenols: Indium vs Gold Catalysis.","The Journal of organic chemistry","2015","80","3","1703","1718","10.1021/jo502648w","","","0.71073","MoKα","","0.0734","0.0465","","","0.1039","0.1146","","","","","","1.032","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030450","5.2976","0.0013","17.593","0.004","18.456","0.005","90","","90.178","0.003","90","","1720.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.0538","0.0434","","","0.107","0.1156","","","","","","0.94","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030451","8.27","0.004","20.421","0.008","10.817","0.005","90","","93.676","0.011","90","","1823","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N4 O -","- C22 H16 N4 O -","- C88 H64 N16 O4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.1332","0.0647","","","0.1651","0.2252","","","","","","1.018","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030452","11.354","0.012","11.372","0.012","12.317","0.013","63.176","0.012","76.23","0.013","65.626","0.012","1290","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Br N2 O2 -","- C31 H31 Br N2 O2 -","- C62 H62 Br2 N4 O4 -","2","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Beschastnova, Tat'yana N.; Syakaev, Victor V.; Krivolapov, Dmitry B.; Mironova, Ekaterina V.; Zamaletdinova, Anastasiya I.; Rizvanov, Il'dar Kh; Latypov, Shamil K.","Rearrangement of Quinoxalin-2-ones When Exposed to Enamines Generated in Situ from Ketones and Ammonium Acetate: Method for the Synthesis of 1-(Pyrrolyl)benzimidazolones.","The Journal of organic chemistry","2015","80","3","1375","1386","10.1021/jo502135d","","x-ray","0.71073","MoKα","","0.169","0.095","","","0.228","0.2818","","","","","","0.987","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030453","9.696","0.002","10.159","0.002","10.316","0.002","61.424","0.002","78.793","0.002","65.588","0.002","812.6","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C44 H28 O6 -","2","1","","Yan, Kelu; Yang, Daoshan; Wei, Wei; Wang, Fen; Shuai, Yuanyuan; Li, Qiannan; Wang, Hua","Silver-Mediated Radical Cyclization of Alkynoates and α-Keto Acids Leading to Coumarins via Cascade Double C-C Bond Formation.","The Journal of organic chemistry","2015","80","3","1550","1556","10.1021/jo502474z","","","0.71073","MoKα","","0.054","0.0429","","","0.1073","0.1154","","","","","","1.031","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030454","8.7911","0.0011","12.5062","0.0017","21.034","0.003","104.678","0.003","101.109","0.002","93.165","0.002","2181.9","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O6 -","- C21 H24 Br N O6 -","- C84 H96 Br4 N4 O24 -","4","2","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0801","0.0502","","","0.1276","0.1467","","","","","","1.038","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030455","22.299","0.003","9.1978","0.0011","15.934","0.002","90","","131.994","0.004","90","","2428.9","0.6","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Br2 N O5 -","- C25 H23 Br2 N O5 -","- C100 H92 Br8 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.058","0.0454","","","0.1207","0.1638","","","","","","1.167","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030456","10.1214","0.0004","7.5832","0.0003","16.0129","0.0007","90","","103.682","0.003","90","","1194.16","0.09","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C52 H52 Br2 N2 O12 -","2","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.0359","0.031","","","0.0684","0.0703","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030457","15.5689","0.0007","12.3293","0.0005","12.3519","0.0006","90","","96.665","0.002","90","","2354.97","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br N O5 -","- C23 H28 Br N O5 -","- C92 H112 Br4 N4 O20 -","4","1","","Chen, Yi-Ru; Das, Utpal; Liu, Meng-Hsien; Lin, Wenwei","Organocatalytic Enantioselective Direct Vinylogous Michael Addition of α,β-Unsaturated γ-Butyrolactam to β-Acyl Acrylates and 1,2-Diacylethylenes.","The Journal of organic chemistry","2015","80","3","1985","1992","10.1021/jo5027047","","","0.71073","MoKα","","0.1117","0.0473","","","0.0903","0.1076","","","","","","1.009","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030458","12.154","0.003","9.965","0.003","12.74","0.003","90","","101.872","0.019","90","","1510","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F8 N -","- C17 H11 F8 N -","- C68 H44 F32 N4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71069","MoKα","","0.1646","0.0444","","","0.113","0.1583","","","","","","0.936","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030459","9.8175","0.001","13.2951","0.0014","13.3177","0.0014","90","","90.978","0.002","90","","1738","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00067z","","","- C21 H12 F8 O -","- C21 H12 F8 O -","- C84 H48 F32 O4 -","4","1","","Junk, Christopher P.; He, Yigang; Zhang, Yin; Smith, Joshua R.; Gleiter, Rolf; Kass, Steven R.; Jasinski, Jerry P.; Lemal, David M.","Synthesis and Properties of the Strained Alkene Perfluorobicyclo[2.2.0]hex-1(4)-ene.","The Journal of organic chemistry","2015","80","3","1523","1532","10.1021/jo502456h","","","0.71073","MoKα","","0.0432","0.0357","","","0.0945","0.0996","","","","","","1.041","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030460","11.9085","0.0003","17.1795","0.0004","10.1524","0.0002","90","","90","","90","","2077","0.08","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 F2 N2 O5 -","- C18 H24 F2 N2 O5 -","- C72 H96 F8 N8 O20 -","4","1","","Mamone, Marius; Morvan, Estelle; Milcent, Thierry; Ongeri, Sandrine; Crousse, Benoit","Electrophilic amination of fluoroalkyl groups on azodicarboxylate derivatives.","The Journal of organic chemistry","2015","80","3","1964","1971","10.1021/jo502638y","","","0.71073","MoKα","","0.0326","0.0298","","0.0723","0.0713","0.0723","","","","","","1.0069","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030461","11.7835","0.0008","11.5305","0.0006","13.3166","0.0009","90","","102.697","0.007","90","","1765.1","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl3 N O3 S -","- C15 H18 Cl3 N O3 S -","- C60 H72 Cl12 N4 O12 S4 -","4","2","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0645","0.0556","","","0.1449","0.1621","","","","","","1.08","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030462","20.15","0.003","5.8861","0.0007","30.578","0.004","90","","96.832","0.005","90","","3600.9","0.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl3 N O3 S -","- C16 H20 Cl3 N O3 S -","- C128 H160 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0885","0.0662","","","0.1303","0.147","","","","","","1.068","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030463","6.01","0.002","10.244","0.003","16.192","0.004","92.954","0.002","91.751","0.003","102.466","0.003","971.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C34 H44 Cl6 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0689","0.0533","","","0.1249","0.1362","","","","","","1.053","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030464","20.259","0.003","5.923","0.001","17.597","0.003","90","","115.345","0.011","90","","1908.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H22 Cl3 N O3 S -","- C17 H22 Cl3 N O3 S -","- C68 H88 Cl12 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1104","0.0884","","","0.2071","0.2476","","","","","","1.158","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030465","11.1849","0.0002","11.7522","0.0002","47.233","0.003","90","","90","","90","","6208.6","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C256 H336 N16 O48 S16 -","16","4","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0808","0.0628","","","0.1531","0.1785","","","","","","1.096","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030466","6.364","0.002","12.235","0.003","13.112","0.003","90","","90","","90","","1020.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0409","0.0329","","","0.0755","0.0804","","","","","","1.034","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030467","6.036","0.001","10.487","0.003","17.295","0.004","92.01","0.02","92.12","0.03","105.04","0.04","1055.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N O4 S -","- C18 H24 Cl3 N O4 S -","- C36 H48 Cl6 N2 O8 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.7107","MoKα","","0.0879","0.0629","","","0.1579","0.1772","","","","","","1.029","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030468","9.746","0.0004","21.034","0.0008","22.8338","0.0016","90","","90","","90","","4680.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl3 N O3 S -","- C22 H24 Cl3 N O3 S -","- C176 H192 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1232","0.0723","","","0.1351","0.1621","","","","","","1.058","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030469","14.712","0.002","11.439","0.002","11.175","0.003","90","","94","0.004","90","","1876.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.074","0.0486","","","0.1255","0.1417","","","","","","1.032","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030470","10.489","0.003","7.978","0.001","10.912","0.002","90","","115.008","0.005","90","","827.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4a'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,7'-pyrrolo[1,2-c] [1,2,3]oxathiazine] 1',1'-dioxide","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C34 H46 N2 O6 S2 -","2","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0605","0.0409","","","0.0878","0.0963","","","","","","1.047","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030471","8.299","0.0006","10.7164","0.0008","11.8135","0.0009","95.36","0.003","91.437","0.002","106.618","0.002","1000.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","20120034","","","- C22 H25 Cl Ir N3 -","- C22 H25 Cl Ir N3 -","- C44 H50 Cl2 Ir2 N6 -","2","1","","Wu, Yunxiang; Yang, Yaxi; Zhou, Bing; Li, Yuanchao","Iridium(III)-Catalyzed C-7 Selective C-H Alkynylation of Indolines at Room Temperature.","The Journal of organic chemistry","2015","80","3","1946","1951","10.1021/jo502596k","","","0.71073","MoKα","","0.0169","0.0161","","","0.0498","0.0501","","","","","","1.156","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030472","10.9318","0.0008","17.8483","0.0013","20.0007","0.0015","90","","102.883","0.001","90","","3804.2","0.5","187","2","187","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H10 O -","- C78 H10 O -","- C312 H40 O4 -","4","1","","Chang, Wei-Wei; Li, Zong-Jun; He, Fa-Gui; Sun, Tao; Gao, Xiang","Electronic vs Steric Effects on the Stability of Anionic Species: A Case Study on the Ortho and Para Regioisomers of Organofullerenes.","The Journal of organic chemistry","2015","80","3","1557","1563","10.1021/jo502475w","","","0.71073","MoKα","","0.0774","0.0516","","","0.0986","0.1097","","","","","","1.049","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030473","9.0626","0.0005","14.5164","0.001","12.4684","0.0009","90","","106.449","0.004","90","","1573.16","0.18","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","- C74 H62 Br2 Cl2 N6 O4 -","1","0.5","","Li, Xin; Tan, Wei; Gong, Yu-Xin; Shi, Feng","Catalyst-controlled chemoselective reaction of 3-indolylmethanols with cyclic enaminones leading to c2-functionalized indoles.","The Journal of organic chemistry","2015","80","3","1841","1848","10.1021/jo502782b","","","0.71073","MoKα","","0.0595","0.0448","","","0.1129","0.1273","","","","","","1.065","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030514","15.8768","0.0008","9.2589","0.0005","14.0614","0.0007","90","","108.877","0.001","90","","1955.87","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoylphosphonodiamidite","(bis(diisopropylamino)phosphanyl)(phenyl)methanone","","- C19 H33 N2 O P -","- C19 H33 N2 O P -","- C76 H132 N8 O4 P4 -","4","1","","Hersh, William H.","Synthesis of dinucleoside acylphosphonites by phosphonodiamidite chemistry and investigation of phosphorus epimerization.","Beilstein journal of organic chemistry","2015","11","","184","191","10.3762/bjoc.11.19","","","0.71073","MoKα","","0.0343","0.0311","","","0.0795","0.0821","","","","","","1.048","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030545","9.9503","0.0001","8.1458","0.0001","22.6084","0.0003","90","","92.043","0.001","90","","1831.32","0.04","173","2","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O Si -","- C21 H28 O Si -","- C84 H112 O4 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","","1.54178","CuKα","","0.0354","0.0329","","","0.0867","0.0887","","","","","","1.051","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4030546","6.6788","0.0004","9.7813","0.0006","33.0675","0.0016","90","","90","","90","","2160.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 Si -","- C21 H24 N2 O6 Si -","- C84 H96 N8 O24 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","x-ray","1.54178","CuKα","","0.1006","0.0834","","","0.2177","0.2276","","","","","","1.088","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030547","6.0115","0.0004","7.0059","0.0004","38.087","0.002","90","","90","","90","","1604.07","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F2 O2 -","- C19 H22 F2 O2 -","- C76 H88 F8 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization.","The Journal of organic chemistry","2015","80","2","816","827","10.1021/jo5022579","","","0.71073","MoKα","","0.0777","0.0655","","","0.1391","0.145","","","","","","1.169","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030548","9.0305","0.0018","10.168","0.002","13.691","0.003","110.45","0.03","97.33","0.03","97.85","0.03","1145.9","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O -","- C30 H32 O -","- C60 H64 O2 -","2","1","","Zhang, Feng-Zhi; Tian, Yan; Li, Guo-Xing; Qu, Jin","Intramolecular Etherification and Polyene Cyclization of π-Activated Alcohols Promoted by Hot Water.","The Journal of organic chemistry","2015","80","2","1107","","10.1021/jo502636d","","","0.71073","MoKα","","0.0716","0.0459","","","0.1062","0.1183","","","","","","0.996","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030550","8.1416","0.0004","12.3151","0.0006","16.6694","0.0008","90","","90","","90","","1671.35","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S,Rp)-(-)-Methyl N-t-butoxycarbonyl-N-(1-phenylethyl)-hydroxymethylphosphonamidate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0436","0.0357","","","0.0849","0.0888","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030551","6.146","0.0002","9.9844","0.0004","27.163","0.0011","90","","90","","90","","1666.83","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-(+)-Methyl (1-t-butoxycarbonylamino-1-phenylethyl)-(hydroxymethyl)phosphinate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0374","0.0326","","","0.0854","0.0882","","","","","","1.057","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030552","11.9276","0.001","13.603","0.0013","11.5725","0.0011","90","","100.976","0.004","90","","1843.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R*,Sp*)-(+/-)-methyl [1-(t-butoxycarbonylamino)-3-methylbutyl]-(acetoxymethyl)phosphinate","","- C14 H28 N O6 P -","- C14 H28 N O6 P -","- C56 H112 N4 O24 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0539","0.0413","","","0.114","0.125","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030553","16.62","0.0007","12.9107","0.0006","18.0311","0.0008","90","","110.184","0.002","90","","3631.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S*,Sp*)-(+/-)-methyl N-Boc-N-(1,2,3,4-tetrahydronaphthalen-1-yl)- hydroxymethylphosphonamidate","","- C17 H26 N O5 P -","- C17 H26 N O5 P -","- C136 H208 N8 O40 P8 -","8","2","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0505","0.0382","","","0.093","0.1012","","","","","","1.054","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030555","9.457","0.0019","12.543","0.003","14.467","0.003","90","","94.72","0.03","90","","1710.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Wang, Peng-Fei; Jiang, Chun-Huan; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","C-H Bond Functionalization via [1,5]-Hydride Shift/Cyclization Sequence: Approach to Spiroindolenines.","The Journal of organic chemistry","2015","80","2","1155","","10.1021/jo5026817","","","0.71073","MoKα","","0.1432","0.0662","","","0.1469","0.1837","","","","","","1.004","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030556","7.9118","0.0006","9.9589","0.0008","12.639","0.0001","69.83","0.04","86.015","0.002","69.41","0.001","873.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C40 H46 N6 O2 -","2","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","1.54178","CuKα","","0.2055","0.1161","","","0.2938","0.3993","","","","","","1.015","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030557","15.1376","0.0013","6.8224","0.0012","18.6237","0.0019","90","","103.629","0.002","90","","1869.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.2246","0.0838","","","0.1476","0.2266","","","","","","1.01","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030558","13.3184","0.0013","7.1606","0.0005","17.5832","0.0018","90","","94.31","0.001","90","","1672.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N3 O2 -","- C19 H14 Br N3 O2 -","- C76 H56 Br4 N12 O8 -","4","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Huang, Zhi-Bin; Shi, Da-Qing","Multicomponent Strategy to Indeno[2,1-c]pyridine and Hydroisoquinoline Derivatives through Cleavage of Carbon-Carbon Bond.","The Journal of organic chemistry","2015","80","2","1025","","10.1021/jo5025199","","","0.71073","MoKα","","0.1494","0.0667","","","0.1515","0.1708","","","","","","1.019","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030559","9.8175","0.0019","10.663","0.002","18.25","0.004","90","","90","","90","","1910.5","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong","Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine.","The Journal of organic chemistry","2015","80","3","1789","1794","10.1021/jo502709t","","","0.71073","MoKα","","0.085","0.057","","","0.1517","0.1739","","","","","","1.063","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030560","9.5559","0.0005","13.1086","0.0007","15.3621","0.0008","105.124","0.002","102.639","0.002","103.148","0.002","1727.97","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9,18-di(4-bromophenyl)tetrabenzo[a,de,j,mn]tetracen-4,13-dione","","- C44.8 H23.59 Br2 Cl1.59 O2 -","- C44.797 H23.594 Br2 Cl1.594 O2 -","- C89.594 H47.188 Br4 Cl3.188 O4 -","2","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0728","0.0425","","","0.1139","0.1228","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030561","11.5675","0.0005","24.3565","0.0011","12.0597","0.0005","90","","98.503","0.002","90","","3360.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,18-di(isoquinolin-4-yl)tetrabenzo[a,de,j,mn]tetracene-4,13-dione","","- C50 H26 N2 O2 -","- C50 H26 N2 O2 -","- C200 H104 N8 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.0869","0.0478","","","0.1136","0.1377","","","","","","1.104","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030562","9.275","0.002","18.499","0.004","8.4499","0.0019","90","","97.966","0.008","90","","1435.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-1-propyl-7H-benzo[d,e]anthracen-7-one","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Vasilevsky, Sergei F.; Baranov, Denis S.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Gatilov, Yurii V.; Stepanov, Aleksandr A.; Vasilieva, Nadezhda V.; Alabugin, Igor V.","Conformational flexibility of fused tetracenedione propellers obtained from one-pot reductive dimerization of acetylenic quinones.","The Journal of organic chemistry","2015","80","3","1618","1631","10.1021/jo502543b","","","0.71073","MoKα","","0.1165","0.0503","","","0.1051","0.1308","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030563","7.4641","0.0005","10.1247","0.0006","11.5543","0.001","93.217","0.006","105.398","0.007","93.602","0.005","837.76","0.11","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C42 H32 N4 O6 -","2","1","","Rao, H. Surya Prakash; Rao, A. Veera Bhadra","Copper-Catalyzed C(sp(3))-OH Cleavage with Concomitant C-C Coupling: Synthesis of 3-Substituted Isoindolinones.","The Journal of organic chemistry","2015","80","3","1506","1516","10.1021/jo502446k","","","0.7107","MoKα","","0.062","0.04","","","0.0891","0.0988","","","","","","1.051","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030564","4.8196","0.0001","12.2685","0.0002","24.9326","0.0004","90","","90","","90","","1474.25","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Njiojob, Costyl N.; Rhinehart, Jennifer L.; Bozell, Joseph J.; Long, Brian K.","Synthesis of enantiomerically pure lignin dimer models for catalytic selectivity studies.","The Journal of organic chemistry","2015","80","3","1771","1780","10.1021/jo502685k","","","0.71073","MoKα","","0.0399","0.0384","","","0.1131","0.1147","","","","","","1.094","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030565","9.656","0.0007","8.9641","0.0008","11.7189","0.0008","90","","96.272","0.007","90","","1008.29","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,3-dithiolan-2-yl)-1H-benzo[d]imidazole","","- C10 H10 N2 S2 -","- C10 H10 N2 S2 -","- C40 H40 N8 S8 -","4","1","","Aruri, Hariprasad; Singh, Umed; Sharma, Sumit; Gudup, Satish; Bhogal, Mukesh; Kumar, Sanjay; Singh, Deepika; Gupta, Vivek K.; Kant, Rajni; Vishwakarma, Ram A.; Singh, Parvinder Pal","Cross-Dehydrogenative Coupling of Azoles with α-C(sp(3))-H of Ethers and Thioethers under Metal-Free Conditions: Functionalization of H-N Azoles via C-H Activation.","The Journal of organic chemistry","2015","80","3","1929","1936","10.1021/jo502477r","","","0.71073","MoKα","","0.0679","0.0461","","","0.1049","0.1198","","","","","","1.025","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030566","9.3527","0.0015","10.9033","0.0016","11.9661","0.0018","100.759","0.007","99.8","0.007","91.703","0.008","1178.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 F3 O1.25 -","- C13 H15 F3 O1.25 -","- C52 H60 F12 O5 -","4","2","","Mandhapati, Appi Reddy; Kato, Takayuki; Matsushita, Takahiko; Ksebati, Bashar; Vasella, Andrea; Böttger, Erik C; Crich, David","Fluorine-decoupled carbon spectroscopy for the determination of configuration at fully substituted, trifluoromethyl- and perfluoroalkyl-bearing carbons: comparison with (19)f-(1)h heteronuclear overhauser effect spectroscopy.","The Journal of organic chemistry","2015","80","3","1754","1763","10.1021/jo502677a","","","0.71073","MoKα","","0.1238","0.0619","","","0.1534","0.1846","","","","","","0.918","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030567","19.293","0.003","10.8085","0.001","36.754","0.007","90","","104.829","0.019","90","","7409","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H43 Cl9 F8 N8 -","- C83 H43 Cl9 F8 N8 -","- C332 H172 Cl36 F32 N32 -","4","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.132","0.0893","","","0.2268","0.2592","","","","","","1.041","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030568","13.7108","0.0019","13.7888","0.0013","17.7891","0.0015","89.424","0.007","70.125","0.01","62.429","0.012","2759.5","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H39 Cl9 N6 -","- C63 H39 Cl9 N6 -","- C126 H78 Cl18 N12 -","2","1","","Marin, Lidia; Kudrjasova, Julija; Verstappen, Pieter; Penxten, Huguette; Robeyns, Koen; Lutsen, Laurence; Vanderzande, Dirk J. M.; Maes, Wouter","Quinoxaline-Based Cyclo(oligophenylenes).","The Journal of organic chemistry","2015","80","4","2425","2430","10.1021/jo502771a","","","0.71073","MoKα","","0.0748","0.0586","","","0.1489","0.1599","","","","","","1.015","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030569","12.5837","0.0018","7.4112","0.0009","15.494","0.0014","90","","97.412","0.01","90","","1432.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Díaz, Jimena E; Vanthuyne, Nicolas; Rispaud, Hélène; Roussel, Christian; Vega, Daniel; Orelli, Liliana R.","Atropisomerism in amidinoquinoxaline N-oxides: effect of the ring size and substituents on the enantiomerization barriers.","The Journal of organic chemistry","2015","80","3","1689","1695","10.1021/jo502626f","","","0.71073","MoKα","","0.2128","0.0773","","","0.2015","0.2632","","","","","","0.925","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030570","20.0898","0.0004","29.1629","0.0005","30.126","0.0006","93.1848","0.0015","103.524","0.0016","107.635","0.0017","16201.4","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94.5 H102.25 N Si3 -","- C94.5 H102.25 N Si3 -","- C756 H818 N8 Si24 -","8","4","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0935","0.071","","","0.192","0.2083","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030571","30.7925","0.0009","16.2373","0.0006","34.0415","0.0016","90","","90","","90","","17020.3","1.1","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H69 N O6 S3 -","- C78 H69 N O6 S3 -","- C624 H552 N8 O48 S24 -","8","1","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.1249","0.0966","","","0.2928","0.3178","","","","","","1.177","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030572","21.924","0.0004","37.2892","0.0007","10.7444","0.0002","90","","90","","90","","8783.9","0.3","173","0.1","173","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101 H109 N O4 S3 Si3 -","- C101 H109 N O4 S3 Si3 -","- C404 H436 N4 O16 S12 Si12 -","4","0.5","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.0691","0.0607","","","0.1596","0.168","","","","","","1.049","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030573","10.4022","0.0006","13.0301","0.0008","14.716","0.0008","109.281","0.004","95.936","0.005","93.636","0.005","1862.52","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C74 H50 B2 F30 N2 Si4 -","2","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0748","0.047","","","0.103","0.1205","","","","","","1.03","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030574","19.0787","0.0006","12.0494","0.0002","34.269","0.0012","90","","111.9","0.002","90","","7309.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 B F15 N Si2 -","- C37 H25 B F15 N Si2 -","- C296 H200 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0764","0.0539","","","0.1283","0.1431","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030575","13.0052","0.0002","7.3635","0.0001","20.9912","0.0004","90","","101.869","0.001","90","","1967.22","0.06","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F5 N O Si -","- C22 H18 F5 N O Si -","- C88 H72 F20 N4 O4 Si4 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.052","0.0448","","","0.1158","0.1225","","","","","","1.04","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030576","24.4029","0.0008","6.2523","0.0002","29.3312","0.001","90","","102.229","0.002","90","","4373.6","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 F5 O S Si2 -","- C20 H21 F5 O S Si2 -","- C160 H168 F40 O8 S8 Si16 -","8","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0507","0.0459","","","0.1286","0.1329","","","","","","1.044","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030577","23.8836","0.0007","10.9631","0.0003","29.7545","0.0006","90","","108.263","0.002","90","","7398.4","0.3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C264 H168 B8 F120 N8 Si16 -","8","2","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","1.54178","CuKα","","0.0869","0.0684","","","0.1967","0.212","","","","","","1.064","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030578","14.2884","0.0002","10.0454","0.0002","23.209","0.0005","90","","94.795","0.001","90","","3319.59","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 B F15 N Si2 -","- C33 H21 B F15 N Si2 -","- C132 H84 B4 F60 N4 Si8 -","4","1","","Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.","The Journal of organic chemistry","2015","80","4","2240","2248","10.1021/jo502753s","","","0.71073","MoKα","","0.1116","0.0723","","","0.1341","0.155","","","","","","1.071","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030579","14.518","0.01","6.084","0.004","20.729","0.01","90","","128.85","0.03","90","","1425.9","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Chen, Zhen-Feng; Huang, Ke-Bin","Regioselective palladium-catalyzed decarboxylative cross-coupling reaction of alkenyl acids with coumarins: synthesis of 3-styrylcoumarin compounds.","The Journal of organic chemistry","2015","80","4","2407","2412","10.1021/jo502572j","","","0.71073","MoKα","","0.1024","0.0632","","","0.1882","0.2284","","","","","","1.0792","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030580","6.195","0.001","9.737","0.001","19.016","0.002","90","","90","","90","","1147.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-t-butyl(hydroxymethyl)phenylphosphine oxide","","- C11 H17 O2 P -","- C11 H17 O2 P -","- C44 H68 O8 P4 -","4","1","","Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał","Reduction of Functionalized Tertiary Phosphine Oxides with BH3.","The Journal of organic chemistry","2015","80","3","1672","1688","10.1021/jo502623g","","","1.54184","CuKα","","0.0313","0.0297","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030581","8.2615","0.0004","10.9454","0.0009","23.208","0.002","90","","97.076","0.008","90","","2082.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O2 S -","- C22 H30 N2 O2 S -","- C88 H120 N8 O8 S4 -","4","1","","Kim, Jinho; Stahl, Shannon S.","Cu-Catalyzed Aerobic Oxidative Three-Component Coupling Route to N-Sulfonyl Amidines via an Ynamine Intermediate.","The Journal of organic chemistry","2015","80","4","2448","2454","10.1021/jo5029198","","x-ray","1.54178","CuKα","K-L~3~","0.0327","0.0326","","","0.0843","0.0844","","","","","","1.049","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030582","9.0178","0.0003","8.8539","0.0003","46.2151","0.0014","90","","93.785","0.002","90","","3681.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N2 -","- C50.65 H44.4 N2 -","- C202.6 H177.6 N8 -","4","1","","Diner, Colin; Scott, David E.; Tykwinski, Rik R.; Gray, Murray R.; Stryker, Jeffrey M.","Scalable, chromatography-free synthesis of alkyl-tethered pyrene-based materials. Application to first-generation ""archipelago model"" asphaltene compounds.","The Journal of organic chemistry","2015","80","3","1719","1726","10.1021/jo502650m","","","1.54178","CuKα","","0.119","0.0719","","","0.1731","0.212","","","","","","1.021","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030583","6.9967","0.0003","8.5345","0.0005","9.7334","0.0006","110.752","0.005","94.833","0.004","106.902","0.005","508.51","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Guthrie, Daryl A.; Ho, Anthony; Takahashi, Cyrus G.; Collins, Anthony; Morris, Matthew; Toscano, John P.","""Catch-and-Release"" of HNO with Pyrazolones.","The Journal of organic chemistry","2015","80","3","1338","1348","10.1021/jo502330w","","","0.71073","MoKα","","0.0399","0.035","","","0.0976","0.1011","","","","","","1.059","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030584","17.043","0.0006","17.043","0.0006","11.1065","0.0009","90","","90","","90","","3226","0.3","293","2","293","2","","","","","","","","4","P 4/n","-P 4a","85","","","","- C18 H20 F2 O2 -","- C18 H20 F2 O2 -","- C144 H160 F16 O16 -","8","","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1401","0.0829","","","0.1661","0.1952","","","","","","1.084","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030585","6.6313","0.001","10.6643","0.0017","21.166","0.003","90","","90.379","0.003","90","","1496.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C64 H56 F8 O12 S4 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.0936","0.0738","","","0.1598","0.1699","","","","","","1.16","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030586","9.5872","0.0006","19.0689","0.0013","9.796","0.0006","90","","97.789","0.002","90","","1774.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.087","0.0704","","","0.1603","0.1713","","","","","","1.146","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030587","8.5636","0.0008","9.5609","0.0009","10.2957","0.001","75.98","0.002","75.691","0.002","72.424","0.002","765.76","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1235","0.0789","","","0.1705","0.196","","","","","","1.073","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030588","10.1133","0.0017","13.543","0.002","23.296","0.004","90","","90","","90","","3190.7","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br N O4 S -","- C40 H32 Br N O4 S -","- C160 H128 Br4 N4 O16 S4 -","4","1","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0492","0.0391","","","0.0688","0.0727","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030589","13.021","0.0013","13.5047","0.0014","22.336","0.002","95.904","0.009","103.415","0.006","92.267","0.004","3792.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br N O6 S -","- C44 H40 Br N O6 S -","- C176 H160 Br4 N4 O24 S4 -","4","2","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0713","0.0518","","","0.1234","0.137","","","","","","1.055","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030590","6.9842","0.0003","8.328","0.0003","36.1818","0.0018","90","","90","","90","","2104.49","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N O8 P -","- C18 H28 N O8 P -","- C72 H112 N4 O32 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0709","0.0542","","","0.1321","0.1479","","","","","","1.047","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030591","10.158","0.005","6.593","0.005","13.228","0.005","90","0.004","98.716","0.005","90","0.005","875.7","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Br N O6 P -","- C15 H21 Br N O6 P -","- C30 H42 Br2 N2 O12 P2 -","2","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0657","0.0533","","","0.1002","0.1094","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030592","12.68","0.02","19.14","0.03","6.208","0.012","90","","90","","90","","1507","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 S -","- C17 H18 O6 S -","- C68 H72 O24 S4 -","4","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","0.71075","MoKα","","","0.0977","","","","0.2489","","","","","","1.08","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030593","8.1853","0.0003","8.4902","0.0002","10.5848","0.0003","94.6382","0.0017","108.843","0.0017","91.7329","0.0018","692.65","0.04","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","- C26 H37 Cl O6 S Si -","1","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","1.54187","CuKα","","0.0616","0.0551","","","0.1406","0.1633","","","","","","1.151","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030594","11.8115","0.0015","12.0852","0.0016","13.2004","0.0018","94.688","0.009","106.38","0.009","105.365","0.008","1718.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N2 O8 S -","- C34 H42 N2 O8 S -","- C68 H84 N4 O16 S2 -","2","1","","Aher, Ravindra D.; Kumar, B. Senthil; Sudalai, Arumugam","Proline-Catalyzed Sequential syn-Mannich and [4 + 1]-Annulation Cascade Reactions To Form Densely Functionalized Pyrrolidines.","The Journal of organic chemistry","2015","80","3","2024","2031","10.1021/jo5028886","","","0.71073","MoKα","","0.111","0.0898","","","0.1652","0.1743","","","","","","1.19","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030595","9.605","0.0003","9.8138","0.0003","13.498","0.0004","92.198","0.002","101.769","0.002","90.037","0.002","1244.63","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 Br N2 -","- C14 H11 Br N2 -","- C56 H44 Br4 N8 -","4","2","","Mahesh, Devulapally; Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Copper(I)-Catalyzed Regioselective Amination of N-Aryl Imines Using TMSN3 and TBHP: A Route to Substituted Benzimidazoles.","The Journal of organic chemistry","2015","80","3","1644","1650","10.1021/jo502574u","","","0.71073","MoKα","","0.0772","0.0472","","","0.1486","0.1669","","","","","","1.096","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030596","8.795","0.002","8.642","0.002","17.912","0.005","90","","95.751","0.004","90","","1354.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Civit, Marc G.; Sanz, Xavier; Vogels, Christopher M.; Webb, Jonathan D.; Geier, Stephen J.; Decken, Andreas; Bo, Carles; Westcott, Stephen A.; Fernández, Elena","Thioboration of α,β-Unsaturated Ketones and Aldehydes toward the Synthesis of β-Sulfido Carbonyl Compounds.","The Journal of organic chemistry","2015","80","4","2148","2154","10.1021/jo5026354","","","0.71073","MoKα","","0.0774","0.068","","","0.1947","0.1984","","","","","","1.005","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030597","10.1519","0.0009","11.209","0.001","14.0068","0.0013","90","","97","0.001","90","","1582","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","2","","Zhou, Yirong; Yang, Qin; Shen, Jian; Chen, Xin; Peng, Yiyuan; Gong, Yuefa","Merging asymmetric Henry reaction with organocatalytic cascade reaction for the construction of a chiral indolizidine alkaloid skeleton.","The Journal of organic chemistry","2015","80","3","1446","1456","10.1021/jo502379v","","","0.71073","MoKα","","0.0708","0.0367","","","0.0657","0.0748","","","","","","0.911","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030598","7.349","0.002","7.076","0.002","19.278","0.006","90","","94.651","0.005","90","","999.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 Cl I N O -","- C9 H5 Cl I N O -","- C36 H20 Cl4 I4 N4 O4 -","4","1","","Chen, Wenwen; Zhang, Jianlan; Wang, Bo; Zhao, Zhouxing; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Chloro-4-iodoisoxazoles from 1-Copper(I) Alkynes, Dichloroformaldoxime, and Molecular Iodine.","The Journal of organic chemistry","2015","80","4","2413","2417","10.1021/jo502634h","","","0.71073","MoKα","","0.0293","0.0243","","","0.0844","0.1141","","","","","","1.07","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030599","8.7897","0.0004","9.3515","0.0005","27.8276","0.0012","90","","90","","90","","2287.34","0.19","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.0441","0.038","","","0.0794","0.0821","","","","","","1.012","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030600","17.4169","0.0007","17.4169","0.0007","13.7581","0.0005","90","","90","","120","","3614.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 65","P 65","170","sy1ja686b","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C144 H210 N18 O12 -","6","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.71073","MoKα","","0.0522","0.0378","","","0.084","0.0898","","","","","","1.075","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030601","4.8715","0.0002","13.7364","0.0005","31.9079","0.001","90","","90","","90","","2135.18","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.076","0.0479","","","0.1058","0.1223","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030602","15.08539","0.00016","22.7205","0.0002","12.63479","0.00012","90","","95.2052","0.0009","90","","4312.69","0.07","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C156 H180 N36 O48 -","12","3","","Guthrie, Daryl A.; Nourian, Saghar; Takahashi, Cyrus G.; Toscano, John P.","Curtailing the Hydroxylaminobarbituric Acid-Hydantoin Rearrangement To Favor HNO Generation.","The Journal of organic chemistry","2015","80","3","1349","1356","10.1021/jo5023316","","","1.54178","CuKα","","0.0503","0.0452","","","0.1284","0.1333","","","","","","1.057","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030611","7.235","0.0006","7.7188","0.0006","10.6228","0.0009","92.941","0.007","94.611","0.007","102.675","0.007","575.45","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O5 -","- C11 H13 F N2 O5 -","- C22 H26 F2 N4 O10 -","2","1","","Clarkson, Rob; Komsta, Zofia; Mayes, Benjamin A.; Moussa, Adel; Shelbourne, Montserrat; Stewart, Alistair; Tyrrell, Andrew J.; Wallis, Laura L.; Weymouth-Wilson, Alexander C","Synthesis of 2,3-Dideoxy-2-fluoro-2,3-endo-methylene- and 2,3-Dideoxy-2-fluoro-3-C-hydroxymethyl-2,3-endo-methylene-pentofuranoses and Their Use in the Preparation of Conformationally Locked Bicyclic Nucleosides.","The Journal of organic chemistry","2015","80","4","2198","2215","10.1021/jo502712g","","","1.54184","CuKα","","0.0529","0.0432","","0.1141","0.106","0.1141","","","","","","1.0099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030612","5.909","0.002","9.42","0.003","12.251","0.004","97.002","0.01","92.212","0.009","103.538","0.01","656.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C22 H34 Br2 N4 O4 -","2","1","","Huber, Tatjana; Kaiser, Daniel; Rickmeier, Jens; Magauer, Thomas","Experimental Studies on the Selective β-C-H Halogenation of Enones.","The Journal of organic chemistry","2015","80","4","2281","2294","10.1021/jo502809d","","","0.71073","MoKα","","0.1943","0.1051","","","0.2586","0.3029","","","","","","1.091","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030613","15.3129","0.0005","6.1061","0.0002","18.3965","0.0007","90","","97.713","0.004","90","","1704.55","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl2 N O -","- C21 H13 Cl2 N O -","- C84 H52 Cl8 N4 O4 -","4","1","","Song, Xian-Rong; Qiu, Yi-Feng; Song, Bo; Hao, Xin-Hua; Han, Ya-Ping; Gao, Pin; Liu, Xue-Yuan; Liang, Yong-Min","BF3·Et2O-Promoted Cleavage of the Csp-Csp2 Bond of 2-Propynolphenols/Anilines: Route to C2-Alkenylated Benzoxazoles and Benzimidazoles.","The Journal of organic chemistry","2015","80","4","2263","2271","10.1021/jo502761x","","","0.71073","MoKα","","0.1002","0.0526","","","0.0932","0.1157","","","","","","1.034","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030647","15.5917","0.0002","6.83809","0.0001","14.0291","0.0002","90","","97.0284","","90","","1484.51","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 O4 S2 -","- C36 H30 O4 S2 -","- C72 H60 O8 S4 -","2","0.5","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0489","","","","0.1415","","","","","","1.064","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030648","15.7337","0.0007","7.0498","0.0004","9.911","0.0005","90","","90","","90","","1099.32","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0822","0.0439","","","0.0819","0.0974","","","","","","1.017","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030649","14.4847","0.0004","14.2985","0.0004","16.2284","0.0005","90","","90","","90","","3361.06","0.17","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C136 H168 N24 O40 -","8","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0974","0.0485","","","0.1073","0.1337","","","","","","1.018","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030650","13.2661","0.0008","8.4355","0.0004","11.2895","0.0006","90","","110.075","0.003","90","","1186.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0901","0.0507","","","0.1062","0.1274","","","","","","1.033","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030651","13.9795","0.0004","8.4328","0.0002","14.2374","0.0004","90","","91.868","0.002","90","","1677.5","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0838","0.0484","","","0.1062","0.1234","","","","","","1.021","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030652","8.5834","0.0003","14.8435","0.0005","16.2877","0.0006","90","","99.823","0.001","90","","2044.76","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0616","0.0445","","","0.1121","0.1242","","","","","","1.031","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030653","10.4755","0.0004","14.1633","0.0006","10.9706","0.0004","90","","100.198","0.002","90","","1601.97","0.11","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0475","0.0363","","","0.0826","0.0886","","","","","","1.019","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030654","7.0209","0.0002","7.6049","0.0002","23.4143","0.0005","90","","90","","90","","1250.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C48 H48 Br4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.045","0.0322","","","0.0613","0.0645","","","","","","1.028","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030655","7.5869","0.0004","14.3161","0.0008","7.9651","0.0004","90","","117.226","0.002","90","","769.28","0.07","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C34 H28 N8 O8 -","2","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0669","0.0454","","","0.0919","0.1051","","","","","","1.037","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030669","6.6807","0.0005","7.3529","0.0006","17.0246","0.0013","90","","90","","90","","836.29","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Wagner, Alexander; Ofial, Armin R.","Potassium Thiocyanate as Source of Cyanide for the Oxidative α-Cyanation of Tertiary Amines.","The Journal of organic chemistry","2015","80","5","2848","2854","10.1021/jo502846c","","","0.71073","MoKα","","0.0353","0.031","","","0.074","0.0761","","","","","","1.09","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030670","8.171","0.008","8.979","0.008","11.675","0.011","95.56","0.03","95.62","0.03","101.11","0.03","830.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.1948","0.088","","","0.2","0.2386","","","","","","0.935","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030671","7.595","0.0004","13.7694","0.0008","15.7113","0.0012","64.051","0.002","88.667","0.003","76.613","0.002","1431.54","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br Cl2 N3 O5 -","- C30 H24 Br Cl2 N3 O5 -","- C60 H48 Br2 Cl4 N6 O10 -","2","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0664","0.0421","","","0.102","0.1105","","","","","","1.015","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030672","7.9707","0.0019","8.873","0.002","16.273","0.004","90","","90","","90","","1150.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0817","0.0433","","","0.0793","0.0921","","","","","","1.006","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030673","8.7186","0.001","9.7432","0.0011","9.7497","0.0015","110.309","0.009","99.085","0.01","112.934","0.009","672.86","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 F N -","- C18 H16 F N -","- C36 H32 F2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0434","0.0356","","","0.0998","0.1027","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030674","9.2639","0.0017","9.809","0.002","10.047","0.002","102.428","0.015","108.884","0.014","114.342","0.014","719.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C36 H32 Br2 N2 -","2","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0897","0.0581","","","0.136","0.1457","","","","","","1.009","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030675","9.666","0.003","9.8149","0.0018","15.315","0.003","90","","95.091","0.019","90","","1447.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N -","- C18 H16 Br N -","- C72 H64 Br4 N4 -","4","1","","Imrich, Hans-Georg; Conrad, Jürgen; Bubrin, Denis; Beifuss, Uwe","From nitrobenzenes to substituted tetrahydroquinolines in a single step by a domino reduction/imine formation/aza-diels-alder reaction.","The Journal of organic chemistry","2015","80","4","2319","2332","10.1021/jo502882y","","","0.71073","MoKα","","0.0626","0.0528","","","0.1343","0.1378","","","","","","1.016","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030683","6.0225","0.0004","13.2389","0.0011","14.6415","0.0014","67.651","0.008","82.712","0.007","84.717","0.006","1069.75","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Br3 Cl3 O6 -","- C17 H14 Br3 Cl3 O6 -","- C34 H28 Br6 Cl6 O12 -","2","1","","Meng, Fan-Yi; Huang, Shou-Ling; Liu, Yi-Hung; Hu, Ziqiang; Lai, Guoqiao; Luh, Tien-Yau","Stereoselective Formation of Eight-Membered Rings by Radical Cyclization of Silylenedioxy-Tethered Bis-methacrylate Derivatives.","The Journal of organic chemistry","2015","80","5","2869","2873","10.1021/jo502947k","","","1.54178","CuKα","","0.0604","0.0487","","","0.1257","0.1347","","","","","","0.992","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030688","8.7841","0.0005","9.9078","0.0005","27.3053","0.0014","90","","90","","90","","2376.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O6 S -","- C21 H31 N O6 S -","- C84 H124 N4 O24 S4 -","4","1","","Wang, Huijing; Tang, Pei; Zhou, Qilong; Zhang, Dan; Chen, Zhitao; Huang, Hongxiu; Qin, Yong","One-pot synthesis of multisubstituted butyrolactonimidates: total synthesis of (-)-nephrosteranic Acid.","The Journal of organic chemistry","2015","80","5","2494","2502","10.1021/jo5029166","","","0.71073","MoKα","","0.1064","0.0608","","","0.1204","0.143","","","","","","1.015","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030689","4.01959","0.00008","13.20565","0.00016","27.5746","0.0004","90","","90","","90","","1463.7","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0812","0.0821","","","","","","1.054","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030690","19.0777","0.0003","6.19859","0.0001","19.4124","0.0003","90","","94.8297","0.0015","90","","2287.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0543","0.0471","","","0.1272","0.1366","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030691","10.986","0.0009","11.1385","0.0009","14.9183","0.0012","110.909","0.003","105.303","0.003","98.68","0.003","1582.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H13 Br F3 N O2 S -","- C15 H13 Br F3 N O2 S -","- C60 H52 Br4 F12 N4 O8 S4 -","4","2","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0883","0.0735","","","0.1989","0.2046","","","","","","1.182","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030692","6.805","0.002","8.529","0.003","15.363","0.005","74.591","0.007","89.569","0.008","87.535","0.007","858.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O2 S -","- C16 H15 Br F3 N O2 S -","- C32 H30 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0672","0.0584","","","0.1577","0.164","","","","","","1.06","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030693","15.2115","0.0011","7.396","0.0005","12.4873","0.0009","90","","91.302","0.002","90","","1404.51","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O2 S -","- C15 H12 F3 N O2 S -","- C60 H48 F12 N4 O8 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0388","0.0362","","","0.0927","0.0948","","","","","","1.036","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030694","6.9579","0.0004","10.516","0.0006","10.5474","0.0006","65.766","0.002","80.838","0.002","77.224","0.002","684.28","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H13 Br F3 N O2 S -","- C12 H13 Br F3 N O2 S -","- C24 H26 Br2 F6 N2 O4 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0235","0.0221","","","0.058","0.0587","","","","","","1.069","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030695","8.112","0.003","10.284","0.004","11.166","0.004","82.569","0.006","72.55","0.006","70.601","0.006","837.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Br F3 N O3 S -","- C16 H15 Br F3 N O3 S -","- C32 H30 Br2 F6 N2 O6 S2 -","2","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.026","0.0246","","","0.0653","0.066","","","","","","1.072","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030696","5.9416","0.0005","20.512","0.0016","12.1325","0.0009","90","","97.383","0.002","90","","1466.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br F3 N O4 S -","- C12 H13 Br F3 N O4 S -","- C48 H52 Br4 F12 N4 O16 S4 -","4","1","","Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung","Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.","The Journal of organic chemistry","2015","80","5","2815","2821","10.1021/jo502416r","","","0.71073","MoKα","","0.0403","0.0327","","","0.0716","0.074","","","","","","1.108","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030697","5.7035","0.0002","7.8753","0.0003","45.6289","0.0015","90","","90","","90","","2049.5","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O3 S -","- C22 H23 Cl O3 S -","- C88 H92 Cl4 O12 S4 -","4","1","","Borah, Madhurjya; Gogoi, Paramartha; Indukuri, Kiran; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrothiophenes and -thiopyrans via Thia-Prins Cyclization Reaction.","The Journal of organic chemistry","2015","80","5","2641","2648","10.1021/jo502831w","","","0.71073","MoKα","","0.0491","0.0422","","","0.0948","0.1028","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030707","9.167","0.006","20.155","0.014","10.011","0.007","90","","105.418","0.016","90","","1783","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.1175","0.0497","","","0.0974","0.1125","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030708","12.3418","0.0014","12.5826","0.0014","9.6895","0.0012","90","","106.033","0.002","90","","1446.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tosyl-2,3,5,6,7,7a-hexahydro-1H-indole","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","","Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao","Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.","The Journal of organic chemistry","2015","80","5","2842","2847","10.1021/jo502823m","","","0.71073","MoKα","","0.0578","0.0402","","","0.0881","0.0974","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030715","7.1052","0.0002","8.8559","0.0003","15.3747","0.0006","101.83","0.002","92.394","0.002","98.705","0.003","933.31","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Sharma, Mukesh K.; Banwell, Martin Gerhardt; Willis, Anthony Creswick","Chemoenzymatic Routes to Enantiomerically Enriched and Polyoxygenated Perhydro-3,5a-methanoindeno[4,5-c]furans Related to the Tashironin Class of Sesquiterpene.","The Journal of organic chemistry","2015","","","150224113214000","","10.1021/acs.joc.5b00303","","","0.71073","MoKα","","0.0729","0.0464","","0.1038","0.0953","0.1038","","","","","","0.9721","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030725","8.077","0.0005","10.5732","0.0008","26.8277","0.0018","90","","90","","90","","2291.1","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun","Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.","The Journal of organic chemistry","2015","80","6","3270","3279","10.1021/jo502791d","","","0.71075","MoKα","","","0.0447","","","","0.1297","","","","","","1.032","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030726","8.3004","0.0004","21.1079","0.0009","14.7263","0.0006","90","","90.917","0.003","90","","2579.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","4","","Wang, Weiguo; Peng, Xianglong; Qin, Xiaoyu; Zhao, Xiangyun; Ma, Chen; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Quinolinones with Palladium-Catalyzed Oxidative Annulation between Acrylamides and Arynes.","The Journal of organic chemistry","2015","80","5","2835","2841","10.1021/jo5027673","","","1.54184","CuKα","","0.1285","0.0976","","","0.2486","0.2936","","","","","","1.062","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030727","8.9484","0.0019","10.234","0.002","11.213","0.002","116.439","0.002","93.526","0.003","110.517","0.002","831.7","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C32 H32 Cl2 N6 O8 -","2","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.1047","0.0618","","","0.1429","0.1714","","","","","","1.048","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030737","34.465","0.005","16.955","0.002","15.653","0.002","90","","103.019","0.002","90","","8912","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B Br N -","- C24 H31 B Br N -","- C384 H496 B16 Br16 N16 -","16","4","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0721","0.0551","","","0.1357","0.1449","","","","","","1.061","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030738","12.188","0.003","12.09","0.003","16.69","0.004","90","","95.644","0.005","90","","2447.4","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 B N -","- C30 H36 B N -","- C120 H144 B4 N4 -","4","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.0525","0.0381","","","0.0953","0.1001","","","","","","0.985","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030739","10.199","0.002","10.769","0.002","12.368","0.003","98.32","0.03","106.48","0.03","111.72","0.03","1161.6","0.6","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B N O -","- C28 H28 B N O -","- C56 H56 B2 N2 O2 -","2","1","","Liu, Xinwang; Wu, Pengbo; Li, Jianfeng; Cui, Chunming","Synthesis of 1,2-Borazaronaphthalenes from Imines by Base-Promoted Borylation of C-H bond.","The Journal of organic chemistry","2015","80","8","3737","3744","10.1021/jo5029437","","","0.71073","MoKα","","0.1558","0.0768","","","0.1571","0.1895","","","","","","1.022","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030748","13.839","0.006","11.892","0.005","7.497","0.003","90","","99.943","0.007","90","","1215.3","0.9","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N O2 S2 -","- C11 H8 F3 N O2 S2 -","- C44 H32 F12 N4 O8 S8 -","4","1","","Shao, Xinxin; Xu, Chunfa; Lu, Long; Shen, Qilong","Structure-reactivity relationship of trifluoromethanesulfenates: discovery of an electrophilic trifluoromethylthiolating reagent.","The Journal of organic chemistry","2015","80","6","3012","3021","10.1021/jo502645m","","","0.71073","MoKα","","0.1069","0.0522","","","0.1197","0.1439","","","","","","0.926","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030749","9.5333","0.0007","11.1732","0.0008","17.3909","0.0012","90","","90","","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng","Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid.","The Journal of organic chemistry","2015","80","6","3289","3294","10.1021/jo502920w","","","1.54178","CuKα","","0.055","0.0443","","","0.1007","0.1097","","","","","","1.017","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030750","8.339","0.0002","17.6239","0.0005","20.3855","0.0005","90","","90","","90","","2995.97","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 N3 O6 -","- C33 H51 N3 O6 -","- C132 H204 N12 O24 -","4","1","","Peng, Lingling; Mo, Fanyang; Zhang, Qinghai","Cholate-based synthesis of size-tunable cage compounds.","The Journal of organic chemistry","2015","80","2","1221","1228","10.1021/jo5023734","","","1.54178","CuKα","","0.0343","0.0338","","","0.0883","0.0888","","","","","","1.05","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030751","10.873","0.003","11.858","0.003","20.376","0.005","90","","138.198","0.01","90","","1751.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.1135","0.0511","","","0.1183","0.1519","","","","","","0.896","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030752","13.196","0.002","8.3712","0.0014","16.808","0.003","90","","99.083","0.002","90","","1833.4","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Regio- and Stereoselective Pd-Catalyzed Direct Arylation of Unactivated sp(3) C(3)-H Bonds of Tetrahydrofuran and 1,4-Benzodioxane Systems.","The Journal of organic chemistry","2015","80","4","2339","2355","10.1021/acs.joc.5b00025","","","0.71073","MoKα","","0.0993","0.0813","","","0.2587","0.2827","","","","","","1.069","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030753","13.9526","0.0006","5.4114","0.0002","16.5276","0.0006","90","","92.316","0.003","90","","1246.87","0.08","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C48 H48 Br8 O4 -","4","1","","Lin, Mei-Huey; Li, Yi-Syuan; Kuo, Chung-Kai; Chen, Chung-Hao; Huang, Yen-Chih; Liang, Kung-Yu; Chen, Yu-Chun; Tsai, Chang-Hsien; Chuang, Tsung-Hsun","Synthesis of Hexahydro-1H-isoindole Derivatives from Arylacyl Bromides via Homoallenic Bromohydrins.","The Journal of organic chemistry","2015","80","4","2462","2466","10.1021/acs.joc.5b00072","","","0.71073","MoKα","","0.0728","0.0372","","","0.0852","0.0967","","","","","","1.012","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030754","10.2831","0.0011","21.4073","0.0019","25.129","0.002","90","","90","","90","","5531.7","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C288 H192 N32 O32 -","16","2","","Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.","The Journal of organic chemistry","2015","80","4","2384","2391","10.1021/acs.joc.5b00037","","","0.71075","MoKα","","","0.0856","","","","0.2145","","","","","","1.133","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030755","10.0009","0.0003","11.547","0.0003","13.2679","0.0004","89.9142","0.0016","70.0107","0.0013","72.5011","0.0013","1364.45","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 O4 S -","- C34 H30 O4 S -","- C68 H60 O8 S2 -","2","1","","Takeda, Takashi; Akutagawa, Tomoyuki","Preparation, Structure, and Redox Behavior of Bis(diarylmethylene)dihydrothiophene and Its π-Extended Analogues.","The Journal of organic chemistry","2015","80","4","2455","2461","10.1021/acs.joc.5b00021","","","1.54187","CuKα","","","0.0638","","","","0.1673","","","","","","0.92","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030756","9.3644","0.0019","11.804","0.003","11.909","0.003","65.119","0.011","89.81","0.012","89.633","0.011","1194.2","0.5","","","100.02","","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C48 H60 Br4 N8 O4 -","4","4","","Fandrick, Keith R.; Mulder, Jason A.; Patel, Nitinchandra D.; Gao, Joe; Konrad, Michael; Archer, Elizabeth; Buono, Frederic G.; Duran, Adil; Schmid, Rolf; Daeubler, Juergen; Desrosiers, Jean-Nicolas; Zeng, Xingzhong; Rodriguez, Sonia; Ma, Shengli; Qu, Bo; Li, Zhibin; Fandrick, Daniel R.; Grinberg, Nelu; Lee, Heewon; Bosanac, Todd; Takahashi, Hidenori; Chen, Zhidong; Bartolozzi, Alessandra; Nemoto, Peter; Busacca, Carl A.; Song, Jinhua J.; Yee, Nathan K.; Mahaney, Paige E.; Senanayake, Chris H.","Development of an Asymmetric Synthesis of a Chiral Quaternary FLAP Inhibitor.","The Journal of organic chemistry","2015","80","3","1651","1660","10.1021/jo502550h","","","1.54178","CuKα","","0.0549","0.051","","","0.1356","0.1477","","","","","","1.0878","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030763","18.6833","0.0009","10.3132","0.0005","27.1247","0.0014","90","","94.236","0.003","90","","5212.2","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H13 Cl F12 O2 Si -","- C26 H12 F12 O2 Si -","- C208 H96 F96 O16 Si8 -","8","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0448","0.0383","","","0.1005","0.1041","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030764","9.3373","0.0002","20.6773","0.0004","12.0406","0.0003","90","","109.931","0.001","90","","2185.44","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0347","0.0325","","","0.0894","0.0918","","","","","","1.024","","","","has coordinates,has disorder","178486","2020-10-21","18:00:00",""
"4030765","7.4888","0.0002","20.7278","0.0005","13.801","0.0003","90","","90.005","0.001","90","","2142.28","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F12 O2 Si -","- C20 H12 F12 O2 Si -","- C80 H48 F48 O8 Si4 -","4","1","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","1.54178","CuKα","","0.0409","0.0393","","","0.1039","0.1055","","","","","","1.038","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030766","9.7682","0.0002","12.0747","0.0002","12.4636","0.0003","76.595","0.001","87.118","0.001","78.923","0.001","1403.34","0.05","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","- C46 H40 F26 Na2 O12 Si2 -","1","0.5","","Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis","Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.","The Journal of organic chemistry","2015","80","6","3280","3288","10.1021/jo5028497","","","0.71073","MoKα","","0.0403","0.0341","","","0.1047","0.1183","","","","","","1.06","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4030767","7.6917","0.0009","11.1008","0.0016","14.3086","0.0019","90","","90","","90","","1221.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0581","0.0437","","","0.0959","0.1035","","","","","","1.024","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030768","8.1102","0.0014","5.2791","0.0009","13.309","0.002","90","","105.678","0.003","90","","548.62","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0448","0.0385","","","0.0976","0.1017","","","","","","1.026","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030769","10.6143","0.0001","29.5816","0.0004","13.6374","0.0002","90","","98.3194","0.0007","90","","4236.92","0.09","173","","173","2","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 O3 P2 Pd -","- C40 H76 O3 P2 Pd -","- C160 H304 O12 P8 Pd4 -","4","1","","Mutule, Ilga; Joo, Beomjun; Medne, Zane; Kalnins, Toms; Vedejs, Edwin; Suna, Edgars","Stereoselective synthesis of the diazonamide a macrocyclic core.","The Journal of organic chemistry","2015","80","6","3058","3066","10.1021/jo5029419","","","0.71073","MoKα","","0.097","0.064","","0.281","0.194","0.148","","","1.389","1.582","1.582","1.528","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030770","8.5221","0.0006","8.5221","0.0006","57.101","0.008","90","","90","","120","","3591.4","0.6","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C27 H22 Br N O6 -","- C27 H22 Br N O6 -","- C162 H132 Br6 N6 O36 -","6","1","","Peris, Gorka; Vedejs, Edwin","Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.","The Journal of organic chemistry","2015","80","6","3050","3057","10.1021/jo502939a","","","0.71073","MoKα","","0.046","0.0345","","","0.072","0.0757","","","","","","1.049","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030771","25.7647","0.0019","7.9823","0.0005","15.4643","0.001","90","","117.091","0.004","90","","2831.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F3 N4 O2 -","- C15 H9 F3 N4 O2 -","- C120 H72 F24 N32 O16 -","8","1","","Yamajala, K. Durga Bhaskar; Patil, Mahendra; Banerjee, Shaibal","Pd-catalyzed regioselective arylation on the C-5 position of N-aryl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","6","3003","3011","10.1021/jo5026145","","","0.71073","MoKα","","0.069","0.0449","","","0.1328","0.152","","","","","","1.076","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030777","10.7344","0.0008","15.1368","0.0011","12.8068","0.001","90","","102.089","0.005","90","","2034.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 O3 S -","- C20 H20 Br2 O3 S -","- C80 H80 Br8 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0897","0.0404","","","0.0883","0.1061","","","","","","0.993","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030778","10.7739","0.0006","12.4913","0.0008","13.7969","0.0008","90","","105.516","0.003","90","","1789.12","0.19","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br O2 S -","- C20 H17 Br O2 S -","- C80 H68 Br4 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0543","0.0376","","","0.097","0.105","","","","","","1.056","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030779","11.8651","0.0008","17.8961","0.0012","8.7169","0.0005","90","","103.874","0.003","90","","1796.9","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl2 O2 S -","- C19 H16 Cl2 O2 S -","- C76 H64 Cl8 O8 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0534","0.04","","","0.101","0.112","","","","","","1.023","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030780","11.1799","0.0015","11.3455","0.0014","14.897","0.002","90","","90","","90","","1889.6","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0367","0.0286","","","0.0626","0.0785","","","","","","1.175","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030781","11.6199","0.0011","18.4852","0.0015","10.268","0.001","90","","102.098","0.005","90","","2156.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1094","0.0499","","","0.1375","0.1692","","","","","","0.952","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030782","11.1601","0.0007","11.3394","0.0007","14.8359","0.001","90","","90","","90","","1877.5","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0473","0.0389","","","0.084","0.0876","","","","","","1.029","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030783","25.0058","0.0012","13.0551","0.0006","12.6318","0.0005","90","","90","","90","","4123.7","0.3","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C168 H168 Br8 O24 S8 -","8","2","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.1661","0.0452","","","0.0652","0.0867","","","","","","0.934","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030784","7.9027","0.0006","8.5524","0.0007","28.369","0.002","90","","96.068","0.005","90","","1906.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br O3 S -","- C20 H21 Br O3 S -","- C80 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0899","0.0585","","","0.1217","0.1318","","","","","","1.077","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030799","27.793","0.002","9.7527","0.0004","27.915","0.002","90","","120.11","0.01","90","","6545.5","1","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H46 N6 O4 -","- C32 H46 N6 O4 -","- C256 H368 N48 O32 -","8","2","","Moussodia, Ralph-Olivier; Acherar, Samir; Romero, Eugénie; Didierjean, Claude; Jamart-Grégoire, Brigitte","Evidence of Nanotubular Self-Organization in Solution and Solid States of Heterochiral Cyclo 1:1 [α/α-N(α)-Bn-hydrazino]mers Series.","The Journal of organic chemistry","2015","80","6","3022","3029","10.1021/jo502684g","","x-ray","0.71073","MoKα","","0.1338","0.1132","","","0.2899","0.3126","","","","","","1.31","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030800","17.6227","0.0003","11.7212","0.0002","16.611","0.0002","90","","116.651","0.001","90","","3066.61","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C136 H128 N16 O8 S8 -","8","2","","Andreoli, Federico; Kaid-Slimane, Radia; Coppola, Fabien; Farran, Daniel; Roussel, Christian; Vanthuyne, Nicolas","Access to N-thioalkenyl and N-(o-thio)aryl-Benzimidazol-2-ones by Ring Opening of Thiazolobenzimidazolium and Benzimidazobenzothiazolium Salts and C-O Bond Cleavage of an Alkoxide.","The Journal of organic chemistry","2015","","","150311084704007","","10.1021/acs.joc.5b00221","","x-ray","0.71073","MoKα","","0.0832","0.0495","","","0.1195","0.1419","","","","","","1.021","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030818","9.402","0.003","15.737","0.003","10.672","0.003","90","","99.933","0.011","90","","1555.4","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,7aS*)-1-benzhydryl-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kise, Naoki; Sakurai, Toshihiko","Intermolecular Reductive Coupling of Esters with Benzophenones by Low-valent Titanium: Synthesis of Diarylmethyl ketones Revisited.","The Journal of organic chemistry","2015","","","150317073852008","","10.1021/acs.joc.5b00102","","","0.71075","MoKα","","0.0705","0.0617","","","0.1601","0.1763","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030825","11.6028","0.0002","13.7155","0.0002","15.4868","0.0003","74.898","0.001","72.606","0.001","70.883","0.001","2185.69","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H57 N O12 -","- C49 H57 N O12 -","- C98 H114 N2 O24 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0392","0.0385","","","0.0997","0.1006","","","","","","1.016","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030826","8.7786","0.0003","13.1685","0.0004","23.0265","0.0007","78.201","0.002","88.483","0.002","81.806","0.002","2579.03","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0731","0.0525","","","0.1415","0.1594","","","","","","1.036","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030827","8.5228","0.0002","33.0695","0.0008","11.6141","0.0003","90","","108.023","0.003","90","","3112.76","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.5418","CuKα","","0.0864","0.079","","","0.1994","0.2032","","","","","","1.164","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030828","15.068","0.0004","23.3472","0.0006","24.7931","0.0006","90","","90","","90","","8722.1","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92.54 H120.54 Cl1.63 O16 -","- C92.543 H120.543 Cl1.629 O16 -","- C370.172 H482.172 Cl6.516 O64 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1139","0.1021","","","0.2677","0.2767","","","","","","1.03","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030829","8.7216","0.0001","22.4584","0.0004","15.5439","0.0003","90","","100.141","0.001","90","","2997.07","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O8 -","- C36 H40 O8 -","- C144 H160 O32 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.0362","0.0359","","","0.0873","0.0876","","","","","","1.076","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030830","25.712","0.005","23.741","0.005","16.888","0.003","90","","90","0.03","90","","10309","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C448 H608 O64 -","8","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1268","0.1173","","","0.3285","0.3341","","","","","","1.09","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030837","20.529","0.018","6.669","0.006","12.889","0.011","90","","95.761","0.013","90","","1756","3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1072","0.0407","","","0.0661","0.0744","","","","","","0.778","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030838","6.485","0.0012","11.608","0.002","35.604","0.007","90","","92.732","0.004","90","","2677.1","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H38 O4 S Si -","- C25 H38 O4 S Si -","- C100 H152 O16 S4 Si4 -","4","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.4334","0.0868","","","0.1273","0.1846","","","","","","0.67","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030839","7.857","0.0016","11.876","0.003","13.396","0.003","70.095","0.004","77.111","0.004","79.851","0.004","1138.8","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si -","- C19 H33 N O2 S Si -","- C38 H66 N2 O4 S2 Si2 -","2","2","","Fässler, Jürg; McCubbin, J. Adam; Roglans, Anna; Kimachi, Tetsutaro; Hollett, Joshua W.; Kunz, Roland W.; Tinkl, Michael; Zhang, Yousheng; Wang, Ruiyao; Campbell, Michael; Snieckus, Victor","Highly Enantioselective (-)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates.","The Journal of organic chemistry","2015","80","7","3368","","10.1021/jo502561m","","","0.71073","MoKα","","0.1223","0.0437","","","0.0791","0.092","","","","","","0.744","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030848","6.071","0.003","18.734","0.007","7.024","0.003","90","","98.101","0.014","90","","790.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","1.54178","CuKα","","0.0357","0.0348","","","0.0951","0.0956","","","","","","1.081","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030849","6.6036","0.0008","19.939","0.003","6.6798","0.0008","90","","110.291","0.009","90","","824.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; McRoberts, Colin; Floyd, Stewart; Allen, Christopher C. R.; Gohil, Amit; Coles, Simon J.; Horton, Peter N.; Stevenson, Paul J.","Toluene Dioxygenase-Catalyzed Synthesis and Reactions of cis-Diol Metabolites Derived from 2- and 3-Methoxyphenols.","The Journal of organic chemistry","2015","80","7","3429","","10.1021/jo5028968","","","0.71073","MoKα","","0.0326","0.0293","","","0.0768","0.0791","","","","","","1.056","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030877","5.83","0.005","8.288","0.008","16.725","0.016","90","","92.845","0.009","90","","807.1","1.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Wei, Ai-Jia; Nie, Jing; Zheng, Yan; Ma, Jun-An","Ni-Catalyzed Highly Chemo-, Regio-, and Enantioselective Decarboxylative Aldol Reaction of β,γ-Unsaturated α-Ketoesters with β-Ketoacids.","The Journal of organic chemistry","2015","80","8","3766","3776","10.1021/jo502741z","","","0.71073","MoKα","","0.0683","0.0442","","","0.0989","0.108","","","","","","0.846","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030891","5.082","0.012","9.83","0.02","18","0.04","90","","94.98","0.05","90","","896","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Huang, You-Ming; Zheng, Chang-Wu; Zhao, Gang","Asymmetric Robinson-Type Annulation Reaction between β-Ketoamides and α,β-Unsaturated Ketones.","The Journal of organic chemistry","2015","80","8","3798","3805","10.1021/jo502904n","","","0.71073","MoKα","","0.1139","0.0839","","","0.2333","0.2551","","","","","","1.1","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030892","3.882","0.005","12.069","0.014","12.451","0.016","106.586","0.014","94.219","0.019","90.27","0.02","557.4","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","","Mayo, Muhammad Shareef; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Isoquinolone Synthesis through SNAr Reaction of 2-Halobenzonitriles with Ketones Followed by Cyclization.","The Journal of organic chemistry","2015","80","8","3998","4002","10.1021/acs.joc.5b00357","","","0.71073","MoKα","","0.1549","0.1247","","","0.3586","0.3851","","","","","","1.063","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030917","10.3476","0.0016","21.312","0.003","9.2867","0.0015","90","","90","","90","","2048","0.5","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation.","The Journal of organic chemistry","2015","80","7","3471","","10.1021/acs.joc.5b00059","","","0.71073","MoKα","","0.1068","0.0543","","","0.0922","0.1097","","","","","","0.973","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030918","8.72","0.003","23.945","0.008","8.704","0.003","90","","112.823","0.005","90","","1675.1","1","252","","252","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O4 -","- C16 H16 Cl N3 O4 -","- C64 H64 Cl4 N12 O16 -","4","1","","Valiulin, Roman A.; Mamidyala, Sreeman; Finn, M. G.","Taming chlorine azide: access to 1,2-azidochlorides from alkenes.","The Journal of organic chemistry","2015","80","5","2740","2755","10.1021/acs.joc.5b00009","","","0.71073","MoKα","","0.0868","0.078","","","0.2064","0.2117","","","","","","1.152","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030927","8.9655","0.0006","6.4598","0.0004","12.7951","0.0008","90","","102.099","0.003","90","","724.57","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0331","0.0329","","","0.0888","0.089","","","","","","1.067","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030928","10.5288","0.0003","11.2256","0.0003","14.5218","0.0003","87.88","0.002","68.77","0.002","76.367","0.002","1552.59","0.07","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C60 H80 O28 -","4","4","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0862","0.0777","","","0.2228","0.2377","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030929","9.5965","0.0009","10.3616","0.0009","22.821","0.002","90","","90","","90","","2269.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0278","0.0258","","","0.0639","0.0657","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030930","9.0936","0.0002","7.4943","0.0001","11.9251","0.0002","90","","95.444","0.001","90","","809.03","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C46 H32 O2 -","2","1","","Srinivas, Harathi D.; Maity, Prantik; Yap, Glenn P. A.; Watson, Mary P.","Enantioselective Copper-Catalyzed Alkynylation of Benzopyranyl Oxocarbenium Ions","The Journal of Organic Chemistry","2015","","","150407082540000","","10.1021/acs.joc.5b00364","","","1.54178","CuKα","","0.0264","0.0259","","","0.0672","0.0676","","","","","","1.039","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030931","11.7748","0.0008","5.8863","0.0003","17.0638","0.001","90","","110.044","0.007","90","","1111.06","0.12","294.29","0.1","294.29","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Tian, Tian; Li, Liqi; Xue, Jijun; Zhang, Jie; Li, Ying","Enantioselective Syntheses of Spiroketals via a Tandem Reaction of Cu(I) -Catalyzed Cycloetherification and H-Bond-induced [4 + 2] Cyclization.","The Journal of organic chemistry","2015","","","150407100357003","","10.1021/acs.joc.5b00384","","","0.71073","MoKα","","0.0623","0.038","","","0.0746","0.083","","","","","","1.02","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030932","11.5731","0.0004","20.5327","0.0008","38.4094","0.0014","90","","90","","90","","9127.1","0.6","297.1","0.4","297.1","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C448 H392 O84 -","28","7","","Tian, Tian; Li, Liqi; Xue, Jijun; Zhang, Jie; Li, Ying","Enantioselective Syntheses of Spiroketals via a Tandem Reaction of Cu(I) -Catalyzed Cycloetherification and H-Bond-induced [4 + 2] Cyclization.","The Journal of organic chemistry","2015","","","150407100357003","","10.1021/acs.joc.5b00384","","","0.7107","MoKα","","0.1155","0.0624","","","0.1025","0.1285","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030933","18.2934","0.0018","8.0986","0.0008","15.5225","0.0015","90","","108.665","0.002","90","","2178.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N O2 P -","- C26 H28 N O2 P -","- C104 H112 N4 O8 P4 -","4","1","","Han, Lei; Lei, Yang; Xing, Ping; Zhao, Xiao-Long; Jiang, Biao","[2.2]paracyclophane-derived monodentate phosphoramidite ligands for copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones.","The Journal of organic chemistry","2015","80","8","3752","3757","10.1021/jo502715f","","","0.71073","MoKα","","0.0774","0.0524","","","0.1377","0.1496","","","","","","1.017","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030942","5.5812","0.0007","47.12","0.006","9.2435","0.0011","90","","103.343","0.003","90","","2365.3","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 O S -","- C31 H22 O S -","- C124 H88 O4 S4 -","4","2","","Rananaware, Anushri; Bhosale, Rajesh S.; Ohkubo, Kei; Patil, Hemlata; Jones, Lathe A.; Jackson, Sam L.; Fukuzumi, Shunichi; Bhosale, Sidhanath V.; Bhosale, Sheshanath V.","Tetraphenylethene-Based Star Shaped Porphyrins: Synthesis, Self-assembly, and Optical and Photophysical Study.","The Journal of organic chemistry","2015","80","8","3832","3840","10.1021/jo502760e","","","0.71073","MoKα","","0.0972","0.0659","","","0.1531","0.1684","","","","","","1.028","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030943","11.6944","0.0018","10.2243","0.0016","16.901","0.003","90","","96.579","0.004","90","","2007.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N2 O8 -","- C48 H36 N2 O8 -","- C96 H72 N4 O16 -","2","0.5","","Chowdhury, Aniket; Mukherjee, Partha Sarathi","Electron-rich triphenylamine-based sensors for picric Acid detection.","The Journal of organic chemistry","2015","80","8","4064","4075","10.1021/acs.joc.5b00348","","","0.71073","MoKα","","0.081","0.0483","","","0.1282","0.1419","","","","","","1.06","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4030944","5.0849","0.0005","10.9285","0.0012","12.7619","0.0013","90","","97.741","0.012","90","","702.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","EDT-TTF(CN)(CF3)","","","- C10 H4 F3 N S6 -","- C10 H4 F3 N S6 -","- C20 H8 F6 N2 S12 -","2","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0557","0.0327","","","0.0691","0.0765","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030945","5.1515","0.0012","11.998","0.002","12.974","0.003","103.96","0.03","90.02","0.03","90.45","0.03","778.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","EDT-TTF(CO2Me)(CF3)","3,4-ethylendithio-3'-carbomethoxy-4'-trifluoromethyltetrathiafulvalene ?","","- C11 H7 F3 O2 S6 -","- C11 H7 F3 O2 S6 -","- C22 H14 F6 O4 S12 -","2","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.1597","0.0442","","","0.0691","0.0909","","","","","","0.702","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030946","7.4209","0.0008","17.0659","0.0017","13.5707","0.0015","90","","97.834","0.013","90","","1702.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-(CF3)2-TTF-o-(CO2Me)","4,5-bis(trifluoromethyl)-4',5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0612","0.032","","","0.0706","0.0783","","","","","","0.898","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030947","28","0.003","8.7129","0.0009","7.2091","0.0007","90","","90","","90","","1758.7","0.3","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","E-(CF3,CO2Me)2 TTF","Trans-4,4'-bis(trifluoromethyl)-5,5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","0.5","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.1057","0.0342","","","0.053","0.0647","","","","","","0.767","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030948","13.2146","0.0015","11.1448","0.0008","13.1662","0.0015","90","","106.997","0.013","90","","1854.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT TTF CF3)2 TCNQ","","","- C15 H7 F3 N2 S6 -","- C15 H7 F3 N2 S6 -","- C60 H28 F12 N8 S24 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0692","0.0339","","","0.073","0.0814","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030949","5.9348","0.0005","14.4165","0.0015","21.785","0.002","90","","90","","90","","1863.9","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","EDT-TTF-CF3, FeCl4","","","- C9 H5 Cl4 F3 Fe S6 -","- C9 H5 Cl4 F3 Fe S6 -","- C36 H20 Cl16 F12 Fe4 S24 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0675","0.0411","","","0.0497","0.0545","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030950","9.4587","0.0005","9.6256","0.0004","11.5993","0.0006","90","","90","","90","","1056.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 O S3 -","- C9 H10 O S3 -","- C36 H40 O4 S12 -","4","1","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.0398","0.0329","","","0.0767","0.0793","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030951","9.9526","0.0003","12.2499","0.0003","17.9352","0.0004","81.381","0.001","85.234","0.002","89.204","0.001","2154.46","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 S7 -","- C18 H18 N2 S7 -","- C72 H72 N8 S28 -","4","2","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.071","0.0387","","","0.0828","0.0904","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030952","7.253","0.0001","8.3877","0.0001","26.2705","0.0004","86.235","0.001","86.176","0.001","71.72","0.001","1512.47","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Au N6 S11 -","- C23 H12 Au N6 S11 -","- C46 H24 Au2 N12 S22 -","2","1","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.0175","0.0173","","","0.042","0.0421","","","","","","1.253","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030953","9.517","0.003","21.237","0.008","11.104","0.004","90","","104.868","0.009","90","","2169.1","1.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O4 -","- C29 H18 O4 -","- C116 H72 O16 -","4","1","","Shirke, Rajendra P.; Ramasastry, S. S. V.","Modular assembly of furotropones and benzofurotropones, and study of their physicochemical properties.","The Journal of organic chemistry","2015","80","10","4893","4903","10.1021/acs.joc.5b00226","","","0.71073","MoKα","","0.1766","0.0632","","","0.1323","0.1823","","","","","","0.914","","","","has coordinates","138270","2020-10-21","18:00:00",""
"4030954","12.68993","0.00011","9.69273","0.00008","15.41784","0.00012","90","","100.547","0.0008","90","","1864.35","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O3 Si -","- C20 H20 N2 O3 Si -","- C80 H80 N8 O12 Si4 -","4","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0325","0.0316","","","0.0801","0.0809","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030955","6.6005","0.0003","10.33","0.0003","15.2977","0.0005","96.372","0.003","95.057","0.003","98.899","0.003","1018.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O4 Si -","- C21 H22 N2 O4 Si -","- C42 H44 N4 O8 Si2 -","2","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","1.54184","CuKα","","0.0524","0.0444","","","0.1026","0.1061","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030956","10.7185","0.001","16.4457","0.0017","21.179","0.002","90","","90","","90","","3733.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 Si -","- C19 H20 N2 O4 Si -","- C152 H160 N16 O32 Si8 -","8","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","0.7107","MoKα","","0.0575","0.0419","","","0.0899","0.0961","","","","","","1.032","","","","has coordinates","138282","2020-10-21","18:00:00",""
"4030957","6.286","0.0012","7.3672","0.0015","28.272","0.006","90","","92.047","0.013","90","","1308.4","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 Br2 O6 -","- C29 H28 Br2 O6 -","- C58 H56 Br4 O12 -","2","1","","Wang, Bian-Lin; Gao, Hai-Tao; Li, Wei-Dong Z","Total synthesis of (+)-iresin.","The Journal of organic chemistry","2015","80","10","5296","5301","10.1021/acs.joc.5b00365","","","0.71075","MoKα","","0.074","0.053","","","0.1339","0.1477","","","","","","0.84","","","","has coordinates","138271","2020-10-21","18:00:00",""
"4030958","7.2875","0.0003","10.6142","0.0004","14.7414","0.0006","90","","91.936","0.004","90","","1139.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Deka, Manash J.; Indukuri, Kiran; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Synthesis of Five-, Six-, and Seven-Membered 1,3- and 1,4-Heterocyclic Compounds via Intramolecular Hydroalkoxylation/Hydrothioalkoxylation of Alkenols/Thioalkenols.","The Journal of organic chemistry","2015","80","9","4349","4359","10.1021/acs.joc.5b00049","","","0.71073","MoKα","","0.0463","0.0386","","","0.0807","0.0851","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030959","11.7891","0.0001","17.3916","0.0002","17.8781","0.0003","74.6642","0.0006","74.5511","0.0006","87.2285","0.0008","3406.36","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Br2 Cl6 O8 -","- C48 H32 Br2 Cl6 O8 -","- C144 H96 Br6 Cl18 O24 -","3","1.5","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71","MoKα","","0.1322","0.0991","","","0.2467","0.2734","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030960","8.3918","0.0002","9.3294","0.0003","12.1587","0.0003","70.646","0.002","82.2385","0.0012","72.7588","0.0012","857.04","0.04","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","6-Bromo-5-methoxy-13a-methyl-8H-dibenzo[b,h]xanthene-8,13(13aH)-dione","","- C23 H15 Br O4 -","- C23 H15 Br O4 -","- C46 H30 Br2 O8 -","2","1","","Ota, Motohiro; Sasamori, Takahiro; Tokitoh, Norihiro; Onodera, Takefumi; Mizushina, Yoshiyuki; Kuramochi, Kouji; Tsubaki, Kazunori","Synthesis, Photochemical Properties, and Cytotoxicities of 2H-Naphtho[1,2-b]pyran and Its Photodimers.","The Journal of organic chemistry","2015","80","11","5687","5695","10.1021/acs.joc.5b00645","","","0.71075","MoKα","","0.0348","0.034","","","0.0797","0.0802","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030961","7.8772","0.0016","9.0475","0.0018","26.626","0.005","90","","90","","90","","1897.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O4 -","- C21 H16 Br N O4 -","- C84 H64 Br4 N4 O16 -","4","1","","Hu, Zhi-Peng; Zhuang, Zhe; Liao, Wei-Wei","Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa-Michael Addition Triggered Ring-Expansion Approach.","The Journal of organic chemistry","2015","80","9","4627","4637","10.1021/acs.joc.5b00502","","","0.71073","MoKα","","0.1059","0.0518","","","0.1131","0.1354","","","","","","0.939","","","","has coordinates,has disorder","138284","2020-10-21","18:00:00",""
"4030962","7.6245","0.0009","10.3617","0.0012","11.7154","0.0014","92.793","0.0016","106.432","0.0014","93.7434","0.0016","883.67","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br Cl N O3 -","- C19 H17 Br Cl N O3 -","- C38 H34 Br2 Cl2 N2 O6 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.0736","0.0496","","","0.1132","0.1238","","","","","","1.015","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030963","7.737","0.002","10.668","0.003","11.524","0.003","95.567","0.004","108.801","0.004","95.3","0.004","888.4","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C40 H40 Br2 N2 O8 -","2","1","","Damera, Krishna; Yu, Bingchen; Wang, Binghe","Stereoselective Synthesis of 1-Methyl-3',4',5',6'-tetrahydrospiro[indoline-3,2'-pyran]-2-one Derivatives via Prins Cyclization.","The Journal of organic chemistry","2015","80","11","5457","5463","10.1021/acs.joc.5b00249","","","0.71073","MoKα","","0.059","0.044","","","0.1029","0.1097","","","","","","1.059","","","","has coordinates","152868","2020-10-21","18:00:00",""
"4030964","8.88","0.0016","10.855","0.003","16.771","0.003","90","","90","","90","","1616.6","0.6","293","","296.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N S -","- C20 H18 N S -","- C80 H72 N4 S4 -","4","1","","Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil","Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones.","The Journal of organic chemistry","2015","80","10","5272","5278","10.1021/jo5025943","","","0.71075","MoKα","","","0.0764","","","","0.0822","","","","","","1.168","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030965","10.9511","0.0005","7.0532","0.0003","18.2429","0.0009","90","","94.658","0.005","90","","1404.43","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O4 -","- C16 H14 N O4 -","- C64 H56 N4 O16 -","4","1","","Murthy, Akondi Srirama; Donikela, Sangeetha; Reddy, Cirandur Suresh; Chegondi, Rambabu","Palladium-catalyzed regioselective domino cyclization of cyclohexadienones.","The Journal of organic chemistry","2015","80","11","5566","5571","10.1021/acs.joc.5b00493","","","0.71073","MoKα","","0.1256","0.0867","","","0.2326","0.3051","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030966","32.74","0.005","14.888","0.002","38.686","0.005","90","","99.017","0.011","90","","18624","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,10-Dioxa-4^4,6^4,8^4-tri-tert-butyl-4^1,6^1,8^1-trimethoxy-1(1,4)-anthraquinona-4,6,8(2,6)-tribenzenacyclodecaphane","","","- C107 H119 Cl3 N2 O14 -","- C107 H119 Cl3 N2 O14 -","- C856 H952 Cl24 N16 O112 -","8","1","","Bürger, M; Katzsch, F.; Brendler, E.; Gruber, T.","Synthesis of macrocyclic receptors with intrinsic fluorescence featuring quinizarin moieties.","The Journal of organic chemistry","2015","80","10","4882","4892","10.1021/acs.joc.5b00223","","","0.71073","MoKα","","0.0497","0.0438","","","0.1","0.1028","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030967","10.6542","0.0008","23.6126","0.0017","9.1002","0.0006","90","","109.129","0.001","90","","2163","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-acetyl-4-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazol-1-yl)acetate","","- C21 H18 N4 O7 -","- C21 H18 N4 O7 -","- C84 H72 N16 O28 -","4","1","","Kamal, Ahmed; Sastry, K. N. Visweswara; Chandrasekhar, D.; Mani, Geeta Sai; Adiyala, Praveen Reddy; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar","One-pot, three-component approach to the synthesis of 3,4,5-trisubstituted pyrazoles.","The Journal of organic chemistry","2015","80","9","4325","4335","10.1021/jo502946g","","","0.71073","MoKα","","0.0869","0.0692","","","0.1719","0.1852","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030968","22.0146","0.0015","6.9363","0.0003","24.0365","0.0015","90","","95.483","0.006","90","","3653.6","0.4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0824","0.0499","","","0.1161","0.1368","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030969","6.648","0.002","7.314","0.003","20.372","0.007","85.053","0.005","86.533","0.004","70.707","0.004","930.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0967","0.0559","","","0.0934","0.1091","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030970","6.8676","0.0004","19.5592","0.001","13.2959","0.001","90","","102.771","0.006","90","","1741.79","0.19","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C84 H64 O20 -","4","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0489","0.0398","","","0.1007","0.1082","","","","","","1.025","","","","has coordinates","138286","2020-10-21","18:00:00",""
"4030971","10.659","0.002","8.0066","0.0016","14.918","0.003","90","","103.12","0.03","90","","1239.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 B F4 N2 O4 -","- C24 H27 B F4 N2 O4 -","- C48 H54 B2 F8 N4 O8 -","2","1","","Pellegrino, Sara; Bonetti, Andrea; Clerici, Francesca; Contini, Alessandro; Moretto, Alessandro; Soave, Raffaella; Gelmi, Maria Luisa","1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 310 Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles.","The Journal of organic chemistry","2015","80","11","5507","5516","10.1021/acs.joc.5b00396","","","0.71073","MoKα","","0.1381","0.0844","","","0.2312","0.2712","","","","","","1.015","","","","has coordinates,has disorder","141370","2020-10-21","18:00:00",""
"4030972","8.1555","0.0009","14.7517","0.0016","11.9062","0.0013","90","","98.459","0.003","90","","1416.8","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(N,N-Diethylamino)pyrene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0416","0.0368","","","0.1025","0.1069","","","","","","1.059","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030973","4.5911","0.0016","15.185","0.005","15.531","0.005","90","","93.104","0.009","90","","1081.2","0.6","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyanopyrene","","- C17 H9 N -","- C17 H9 N -","- C68 H36 N4 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.0647","0.0398","","","0.0992","0.1128","","","","","","1.039","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030974","8.6919","0.0007","7.6012","0.0006","23.777","0.002","90","","91.495","0.002","90","","1570.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-7-(N,N-diethylamino)pyrene","","- C21 H18 N2 -","- C21 H18 N2 -","- C84 H72 N8 -","4","1","","Ji, Lei; Lorbach, Andreas; Edkins, Robert M.; Marder, Todd B.","Synthesis and photophysics of a 2,7-disubstituted donor-acceptor pyrene derivative: an example of the application of sequential ir-catalyzed C-h borylation and substitution chemistry.","The Journal of organic chemistry","2015","80","11","5658","5665","10.1021/acs.joc.5b00618","","","0.71073","MoKα","","0.052","0.038","","","0.1014","0.1111","","","","","","1.041","","","","has coordinates","140157","2020-10-21","18:00:00",""
"4030975","8.893","0.0003","25.5926","0.0008","14.1377","0.0004","90","","90.01","","90","","3217.67","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N3 O8 -","- C35 H35 N3 O8 -","- C140 H140 N12 O32 -","4","2","","Dai, Wei; Jiang, Xiao-Li; Wu, Qiong; Shi, Feng; Tu, Shu-Jiang","Diastereo- and Enantioselective Construction of 3,3'-Pyrrolidinyldispirooxindole Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions.","The Journal of organic chemistry","2015","80","11","5737","5744","10.1021/acs.joc.5b00708","","","1.54178","CuKα","","0.0836","0.0799","","","0.1989","0.2048","","","","","","1.064","","","","has coordinates","140165","2020-10-21","18:00:00",""
"4030976","12.2059","0.0005","6.2367","0.0002","13.0601","0.0005","90","","108.288","0.001","90","","943.98","0.06","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 O2 P -","- C25 H19 O2 P -","- C50 H38 O4 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71073","MoKα","","0.0357","0.0311","","","0.0728","0.0741","","","","","","1.341","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030977","12.0467","0.0006","6.5161","0.0003","12.2531","0.0005","90","","117.784","0.002","90","","850.95","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H14 N O P -","- C21 H14 N O P -","- C42 H28 N2 O2 P2 -","2","1","","Matano, Yoshihiro; Motegi, Yuta; Kawatsu, Shinsuke; Kimura, Yoshifumi","Comparison of 2-Arylnaphtho[2,3-b]phospholes and 2-Arylbenzo[b]phospholes: Effects of 2-Aryl Groups and Fused Arene Moieties on Their Optical and Photophysical Properties.","The Journal of organic chemistry","2015","80","11","5944","5950","10.1021/acs.joc.5b00541","","","0.71075","MoKα","","0.063","0.0446","","","0.0866","0.0956","","","","","","1.197","","","","has coordinates","140166","2020-10-21","18:00:00",""
"4030978","7.8592","0.0003","15.6109","0.0005","9.489","0.0006","90","","90.895","0.006","90","","1164.06","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N S -","- C13 H8 I N S -","- C52 H32 I4 N4 S4 -","4","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.034","0.031","","0.0844","0.0826","0.0844","","","","","","0.9994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030979","7.4374","0.0006","8.7655","0.0008","9.8437","0.0009","113.251","0.008","92.4","0.007","111.062","0.008","537.44","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C24 H16 I2 N6 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0519","0.0438","","0.1225","0.1084","0.1225","","","","","","0.9344","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030980","10.2961","0.0003","10.9654","0.0003","11.4803","0.0008","107.119","0.008","105.292","0.007","104.881","0.007","1113.45","0.14","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H9 Cl3 F6 I N O4 S2 -","- C15 H9 Cl3 F6 I N O4 S2 -","- C30 H18 Cl6 F12 I2 N2 O8 S4 -","2","1","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71073","MoKα","","0.0795","0.0716","","0.1959","0.1889","0.1959","","","","","","0.9144","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030981","11.8176","0.0002","20.2033","0.0004","14.6196","0.001","90","","93.472","0.007","90","","3484.1","0.3","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F6 I N O4 S2 -","- C14 H8 F6 I N O4 S2 -","- C112 H64 F48 I8 N8 O32 S16 -","8","2","","Postnikov, Pavel S.; Guselnikova, Olga A.; Yusubov, Mekhman S.; Yoshimura, Akira; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and X-ray Structural Study of Dibenziodolium Derivatives.","The Journal of organic chemistry","2015","80","11","5783","5788","10.1021/acs.joc.5b00741","","","0.71075","MoKα","","0.0391","0.0342","","0.0913","0.0887","0.0913","","","","","","0.9778","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030982","9.37265","0.00013","9.64096","0.00014","17.4564","0.0002","90","","90","","90","","1577.38","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0347","0.0337","","","0.0863","0.0876","","","","","","1.052","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030983","10.8866","0.00016","14.8755","0.0002","10.23202","0.00014","90","","90","","90","","1657.01","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0337","0.0323","","","0.0848","0.0865","","","","","","1.024","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030984","15.74885","0.00018","15.74885","0.00018","11.05787","0.00017","90","","90","","120","","2375.2","0.05","120","0.1","120","0.1","","","","","","","","5","P 61","P 61","169","","","","- C14 H17 F3 N2 O2 -","- C14 H17 F3 N2 O2 -","- C84 H102 F18 N12 O12 -","6","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0816","0.0756","","","0.221","0.2306","","","","","","1.09","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030985","9.46505","0.0001","10.5284","0.00011","18.0621","0.0002","90","","90","","90","","1799.92","0.03","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0929","0.0941","","","","","","1.096","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030986","9.42849","0.00013","10.19836","0.00014","17.3158","0.0003","90","","90","","90","","1665","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0354","0.0339","","","0.0889","0.0908","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030987","8.6606","0.0003","8.8909","0.0002","11.7871","0.0004","78.273","0.003","86.46","0.003","78.272","0.003","869.92","0.05","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C38 H44 N4 O2 S2 -","2","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0407","0.0391","","","0.106","0.1072","","","","","","1.087","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030988","9.53269","0.00013","9.99519","0.00013","17.74","0.0003","90","","90","","90","","1690.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0338","0.0318","","","0.0806","0.0824","","","","","","1.042","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030989","14.2453","0.0004","6.382","0.0002","19.0726","0.0006","90","","104.567","0.003","90","","1678.22","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O S -","- C19 H22 N2 O S -","- C76 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.1201","0.1146","","","0.2766","0.2848","","","","","","1.292","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030990","5.78072","0.00013","9.29719","0.00017","27.664","0.0005","90","","90","","90","","1486.79","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N2 O S -","- C14 H17 F3 N2 O S -","- C56 H68 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0474","0.0464","","","0.1238","0.1257","","","","","","1.059","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030991","9.42268","0.00011","10.66811","0.00013","18.2399","0.0002","90","","90","","90","","1833.51","0.04","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O S -","- C19 H19 F3 N2 O S -","- C76 H76 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0312","0.0297","","","0.078","0.0794","","","","","","1.025","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030992","11.36582","0.00011","15.33727","0.00014","9.60241","0.00009","90","","90","","90","","1673.9","0.03","119.97","0.1","119.97","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H20 F2 N2 O2 -","- C19 H20 F2 N2 O2 -","- C76 H80 F8 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0795","0.0799","","","","","","1.033","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030993","17.9716","0.00018","10.96238","0.00011","19.195","0.0002","90","","90","","90","","3781.64","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N2 O2 -","- C19 H20 Cl2 N2 O2 -","- C152 H160 Cl16 N16 O16 -","8","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0496","0.0452","","","0.1214","0.1269","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030994","9.31801","0.00006","10.65613","0.00007","18.11473","0.00012","90","","90","","90","","1798.68","0.02","120.3","0.6","120.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F2 N2 O S -","- C19 H20 F2 N2 O S -","- C76 H80 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0243","0.024","","","0.0634","0.0635","","","","","","1.088","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030995","7.3111","0.0004","8.9012","0.0005","14.1362","0.0008","72.375","0.005","78.013","0.005","74.229","0.005","835.84","0.09","120.3","0.5","120.3","0.5","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 F2 N2 O2 -","- C18 H20 F2 N2 O2 -","- C36 H40 F4 N4 O4 -","2","2","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0633","0.0522","","","0.1394","0.1508","","","","","","1.011","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030996","8.1156","0.0006","19.852","0.0012","12.9765","0.0009","90","","90","","90","","2090.7","0.2","121","2","121","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl3 F2 N2 O S -","- C19 H21 Cl3 F2 N2 O S -","- C76 H84 Cl12 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0741","0.0609","","","0.1738","0.1851","","","","","","1.101","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030997","11.711","0.0003","5.8434","0.0002","15.8296","0.0004","90","","97.347","0.001","90","","1074.36","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","2","","Mondal, Mukulesh; Chen, Shi; Othman, Nabil; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-Catalyzed Diastereoselective Synthesis of β-Lactones from Disubstituted Ketenes and α-Chiral Oxyaldehydes.","The Journal of organic chemistry","2015","80","11","5789","5794","10.1021/acs.joc.5b00869","","","1.54178","CuKα","","0.0476","0.0427","","","0.1091","0.1152","","","","","","1.077","","","","has coordinates","140160","2020-10-21","18:00:00",""
"4030998","12.3053","0.0013","23.4741","0.0016","7.5861","0.0009","90","","92.857","0.009","90","","2188.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O5 -","- C22 H28 N O5 -","- C88 H112 N4 O20 -","4","1","","Kuş, Melih; Artok, Levent; Aygün, Muhittin","Palladium-Catalyzed Alkoxycarbonylation of Conjugated Enyne Oxiranes: A Diastereoselective Method for the Synthesis of 7-Hydroxy-2,3,5-trienoates.","The Journal of organic chemistry","2015","80","11","5494","5506","10.1021/acs.joc.5b00382","","x-ray","0.71073","MoKα","","0.1656","0.0676","","","0.1515","0.1984","","","","","","1","","","","has coordinates","140164","2020-10-21","18:00:00",""
"4030999","10.8246","0.0006","10.8803","0.0007","13.0456","0.0008","94.704","0.003","112.232","0.002","104.549","0.003","1349.47","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 N2 Ru -","- C29 H29 Cl3 N2 Ru -","- C58 H58 Cl6 N4 Ru2 -","2","1","","Rajkumar, Subramani; Karthik, Shanmugam; Gandhi, Thirumanavelan","Ru(II)-Catalyzed β-Carboline Directed C-H Arylation and Isolation of Its Cycloruthenated Intermediates.","The Journal of organic chemistry","2015","80","11","5532","5545","10.1021/acs.joc.5b00411","","","0.71073","MoKα","","0.0433","0.0294","","","0.0709","0.0808","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031000","16.5482","0.0003","5.5074","0.0001","20.1616","0.0004","90","","100.835","0.002","90","","1804.72","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Kocsis, Laura S.; Kagalwala, Husain N.; Mutto, Sharlene; Godugu, Bhaskar; Bernhard, Stefan; Tantillo, Dean J.; Brummond, Kay M.","Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-Ynes.","The Journal of organic chemistry","2015","80","23","11686","11698","10.1021/acs.joc.5b00200","","","1.54178","CuKα","","0.1114","0.0651","","","0.1508","0.1719","","","","","","1.187","","","","has coordinates","170821","2020-10-21","18:00:00",""
"4031001","9.3949","0.0007","10.2467","0.0009","16.5514","0.0016","90","","103.123","0.002","90","","1551.7","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Pan, Yuan-Yuan; Wu, Ya-Nan; Chen, Zhen-Zhen; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of 3-Iminoindol-2-amines and Cyclic Enaminones via Palladium-Catalyzed Isocyanide Insertion-Cyclization.","The Journal of organic chemistry","2015","80","11","5764","5770","10.1021/acs.joc.5b00727","","","0.71073","MoKα","","0.1363","0.0561","","","0.1328","0.1912","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031002","24.847","0.003","8.6971","0.001","25.52","0.003","90","","111.133","0.002","90","","5143.9","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C248 H240 N16 O16 -","8","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0693","0.0405","","","0.0981","0.1132","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031003","9.982","0.002","10.135","0.002","11.35","0.002","64.99","0.03","67.67","0.03","88.86","0.03","948.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Li, Bin; Guo, Shenghai; Zhang, Ju; Zhang, Xinying; Fan, Xuesen","Selective Access to 3-Cyano-1H-indoles, 9H-Pyrimido[4,5-b]indoles, or 9H-Pyrido[2,3-b]indoles through Copper-Catalyzed One-Pot Multicomponent Cascade Reactions.","The Journal of organic chemistry","2015","80","11","5444","5456","10.1021/acs.joc.5b00239","","","0.71073","MoKα","","0.0828","0.0667","","","0.2331","0.2777","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031004","18.44","0.007","9.281","0.003","18.624","0.008","90","","108.026","0.018","90","","3031","2","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O2 Si -","- C15 H23 N O2 Si -","- C120 H184 N8 O16 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0537","0.0397","","","0.089","0.0966","","","","","","1.029","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031005","17.67","0.005","11.484","0.003","17.09","0.004","90","","108.22","0.02","90","","3294.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 N O3 Si -","- C16 H25 N O3 Si -","- C128 H200 N8 O24 Si8 -","8","1","","Geyer, Marcel; Karlsson, Olle; Baus, Johannes A.; Wellner, Eric; Tacke, Reinhold","Si- and C-Functional Organosilicon Building Blocks for Synthesis Based on 4-Silacyclohexan-1-ones Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,6-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl).","The Journal of organic chemistry","2015","80","11","5804","5811","10.1021/acs.joc.5b00774","","","0.71073","MoKα","","0.0526","0.0366","","","0.0851","0.093","","","","","","1.043","","","","has coordinates","140168","2020-10-21","18:00:00",""
"4031006","14.934","0.0003","10.3766","0.0003","15.7056","0.0004","90","","116.087","0.002","90","","2185.87","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl3 N O3 Si -","- C16 H30 Cl3 N O3 Si -","- C64 H120 Cl12 N4 O12 Si4 -","4","1","","Kumar, Varun; Klimovica, Kristine; Rasina, Dace; Jirgensons, Aigars","2-Vinyl Threoninol Derivatives via Acid-Catalyzed Allylic Substitution of Bisimidates.","The Journal of organic chemistry","2015","80","11","5934","5943","10.1021/acs.joc.5b00529","","","0.71073","MoKα","","0.1013","0.0571","","","0.1223","0.1441","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031007","11.435","0.0005","13.7734","0.0004","27.2118","0.0017","90","","90","","90","","4285.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H12 Co2 O6 S -","- C23 H12 Co2 O6 S -","- C184 H96 Co16 O48 S8 -","8","1","","Danilkina, Natalia A.; Lyapunova, Anna G.; Khlebnikov, Alexander F.; Starova, Galina L.; Bräse, Stefan; Balova, Irina A.","Ring-Closing Metathesis of Co2(CO)6-Alkyne Complexes for the Synthesis of 11-Membered Dienediynes: Overcoming Thermodynamic Barriers.","The Journal of organic chemistry","2015","80","11","5546","5555","10.1021/acs.joc.5b00409","","","0.7107","MoKα","","0.071","0.0431","","","0.0728","0.082","","","","","","1.035","","","","has coordinates","154709","2020-10-21","18:00:00",""
"4031008","23.139","0.005","7.1275","0.0015","23.454","0.005","90","","96.439","0.007","90","","3843.7","1.4","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H63 N O2 Si -","- C40 H63 N O2 Si -","- C160 H252 N4 O8 Si4 -","4","1","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.1594","0.0653","","","0.1086","0.137","","","","","","1.013","","","","has coordinates","140159","2020-10-21","18:00:00",""
"4031009","4.5889","0.0002","46.758","0.002","8.8264","0.0005","90","","104.958","0.003","90","","1829.69","0.15","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Listunov, Dymytrii; Fabing, Isabelle; Saffon-Merceron, Nathalie; Gaspard, Hafida; Volovenko, Yulian; Maraval, Valérie; Chauvin, Remi; Génisson, Yves","Asymmetric synthesis and biological evaluation of natural or bioinspired cytotoxic c2-symmetrical lipids with two terminal chiral alkynylcarbinol pharmacophores.","The Journal of organic chemistry","2015","80","11","5386","5394","10.1021/acs.joc.5b00494","","","0.71073","MoKα","","0.118","0.1027","","","0.274","0.2845","","","","","","1.051","","","","has coordinates,has disorder","140159","2020-10-21","18:00:00",""
"4031010","21.0945","0.0005","13.8077","0.0007","12.4172","0.0002","90","","90","","90","","3616.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(TTF1)(CuBr4)","(TTF1)(CuBr4)","","- C30 H20 Br4 Cu S8 -","- C30 H20 Br4 Cu S8 -","- C120 H80 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","1.54184","CuKα","","0.055","0.0458","","","0.1168","0.1261","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031011","13.9096","0.0007","14.1046","0.0007","21.077","0.001","90","","107.985","0.006","90","","3933","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(TTF2)(CuBr4)","(TTF2)(CuBr4)","","- C34 H28 Br4 Cu S8 -","- C34 H28 Br4 Cu S8 -","- C136 H112 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1102","0.0494","","","0.0831","0.1037","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031012","13.0614","0.0006","13.3435","0.0006","14.5787","0.0007","102.051","0.006","92.764","0.006","116.503","0.007","2194.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(TTF3)(CuBr4)0.5(CuBr3)THF","(TTF3)(CuBr4)0.5(CuBr3)THF","","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.0834","0.0532","","","0.1133","0.1287","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031013","13.1368","0.0005","13.4389","0.0005","14.8346","0.0005","101.664","0.003","93.457","0.003","116.863","0.004","2253.37","0.17","291","2","291","2","","","","","","","","6","P -1","-P 1","2","(TTF3)(CuBr4)0.5(CuBr3)THF","(TTF3)(CuBr4)0.5(CuBr3)THF","","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1236","0.0591","","","0.1228","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031014","12.9103","0.0008","19.5008","0.0005","16.3696","0.0005","90","","90","","90","","4121.2","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(TTF4)(CuBr4)","(TTF4)(CuBr4)","","- C34 H28 Br4 Cu O4 S8 -","- C34 H28 Br4 Cu O4 S8 -","- C136 H112 Br16 Cu4 O16 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1377","0.0516","","","0.0704","0.0943","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031015","8.8766","0.0005","11.3774","0.0005","12.1805","0.0005","92.375","0.003","105.574","0.004","112.882","0.004","1076.89","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTF5)(Cu2Br6)","(TTF5)(Cu2Br6)","","- C34 H28 Br6 Cu2 O4 S8 -","- C34 H28 Br6 Cu2 O4 S8 -","- C34 H28 Br6 Cu2 O4 S8 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","1.54184","CuKα","","0.0382","0.0354","","","0.0899","0.0927","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031016","8.0605","0.0003","11.117","0.0007","13.7852","0.0006","89.253","0.004","88.684","0.004","80.707","0.004","1218.68","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(TTF6)(CuBr2)(CH3CN)","(TTF6)(CuBr2)(CH3CN)","","- C40 H28 Br2 Cu N O8 S8 -","- C40 H28 Br2 Cu N O8 S8 -","- C40 H28 Br2 Cu N O8 S8 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.0934","0.0601","","","0.1618","0.1853","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031017","12.8898","0.0012","14.8147","0.0013","14.8279","0.0013","107.327","0.008","93.858","0.007","115.35","0.009","2379.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTF7)(CUBr2)","(TTF7)(CuBr2)","","- C42 H36 Br2 Cu O8 S8 -","- C42 H36 Br2 Cu O8 S8 -","- C84 H72 Br4 Cu2 O16 S16 -","2","1","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.13","0.0839","","","0.2016","0.2466","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031018","5.5907","0.0017","13.518","0.004","5.7882","0.0017","90","","92.261","0.007","90","","437.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0992","0.0633","","","0.144","0.1634","","","","","","1.039","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031019","10.902","0.009","11.579","0.009","11.064","0.009","90","","112.415","0.015","90","","1291.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 Cl N O4 Si -","- C24 H34 Cl N O4 Si -","- C48 H68 Cl2 N2 O8 Si2 -","2","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Dong, Han-Qing; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Divergent Method to trans-5-Hydroxy-6-alkynyl/alkenyl-2-piperidinones: Syntheses of (-)-Epiquinamide and (+)-Swainsonine.","The Journal of organic chemistry","2015","80","11","5824","5833","10.1021/acs.joc.5b00803","","","0.71073","MoKα","","0.0515","0.0475","","","0.1309","0.1353","","","","","","1.042","","","","has coordinates","154708","2020-10-21","18:00:00",""
"4031020","10.761","0.003","11.927","0.004","16.09","0.005","80.067","0.005","84.081","0.005","66.129","0.004","1858.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Bis(methylthio)-1,3-dithiol-2-ylidene]- 5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C17 H15 N O S6 -","- C17 H15 N O S6 -","- C68 H60 N4 O4 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0459","0.0381","","","0.1006","0.1081","","","","","","1.02","","","","has coordinates","140294","2020-10-21","18:00:00",""
"4031021","10.8196","0.0009","12.0793","0.001","19.096","0.0016","72.509","0.001","89.47","0.001","70.382","0.001","2230.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O S6 -","- C21 H23 N O S6 -","- C84 H92 N4 O4 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0342","0.0266","","","0.0647","0.0703","","","","","","1.033","","","","has coordinates,has disorder","140294","2020-10-21","18:00:00",""
"4031022","10.9203","0.0013","11.8068","0.0014","34.711","0.004","90","","91.759","0.004","90","","4473.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-nitrophenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C20 H20 N2 O2 S6 -","- C20 H20 N2 O2 S6 -","- C160 H160 N16 O16 S48 -","8","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","1.54178","CuKα","","0.0878","0.0846","","","0.2114","0.2126","","","","","","1.216","","","","has coordinates","140294","2020-10-21","18:00:00",""
"4031023","11.5871","0.0004","12.1431","0.0005","18.897","0.0008","94.0239","0.0014","90.9921","0.0013","117.911","0.0012","2339.99","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-dimethylaminophenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C22 H26 N2 S6 -","- C22 H26 N2 S6 -","- C88 H104 N8 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0642","0.048","","","0.1063","0.1162","","","","","","1.078","","","","has coordinates,has disorder","140294","2020-10-21","18:00:00",""
"4031024","24.205","0.016","10.18","0.006","14.216","0.008","90","","107.461","0.014","90","","3342","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Gao, Qinghe; Liu, Shan; Wu, Xia; Zhang, Jingjing; Wu, Anxin","Coproduct Promoted Povarov Reaction: Synthesis of Substituted Quinolines from Methyl Ketones, Arylamines, and α-Ketoesters.","The Journal of organic chemistry","2015","80","11","5984","5991","10.1021/acs.joc.5b00785","","","0.71073","MoKα","","0.1621","0.0654","","","0.1736","0.2292","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031025","10.3117","0.0005","11.9449","0.0007","20.2093","0.0013","90","","97.899","0.003","90","","2465.6","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O2 Si -","- C26 H38 O2 Si -","- C104 H152 O8 Si4 -","4","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.71075","MoKα","","","0.0579","","","","0.0699","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031026","8.0594","0.0003","11.3396","0.0005","13.1503","0.0004","92.0232","0.0014","103.648","0.0015","102.583","0.002","1135.05","0.08","173.1","","173.1","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O2 Si -","- C24 H34 O2 Si -","- C48 H68 O4 Si2 -","2","1","","LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean","Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.","The Journal of organic chemistry","2015","80","11","5877","5886","10.1021/acs.joc.5b00914","","","0.7107","MoKα","","","0.0374","","","","0.059","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031027","19.9653","0.0005","11.0573","0.0005","19.3517","0.0006","90","","111.054","0.003","90","","3986.9","0.3","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C176 H136 Br8 N16 O8 -","8","2","","You, Yong; Cui, Bao-Dong; Zhou, Ming-Qiang; Zuo, Jian; Zhao, Jian-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Friedel-Crafts Cascade Reaction of 3-Pyrrolyl-oxindoles and α,β-Unsaturated Aldehydes for the Construction of Chiral Spiro[5,6-dihydropyrido[1,2-a]pyrrole-3,3'-oxindoles].","The Journal of organic chemistry","2015","80","11","5951","5957","10.1021/acs.joc.5b00597","","","1.54184","CuKα","","0.0378","0.035","","","0.0892","0.0921","","","","","","1.034","","","","has coordinates","154707","2020-10-21","18:00:00",""
"4031028","8.351","0.0003","10.3972","0.0005","19.702","0.0009","76.5053","0.0014","87.3402","0.0013","84.9412","0.0014","1656.37","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Allyl 2-(diphenylsulfuranylidene)-3-oxobutanoate","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","2","","Klimczyk, Sebastian; Huang, Xueliang; Kählig, Hanspeter; Veiros, Luís F; Maulide, Nuno","Stereoselective gold(i) domino catalysis of allylic isomerization and olefin cyclopropanation: mechanistic studies.","The Journal of organic chemistry","2015","80","11","5719","5729","10.1021/acs.joc.5b00666","","","0.71073","MoKα","","0.0693","0.0433","","","0.0948","0.1034","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031029","9.6424","0.0006","10.3792","0.0009","15.5817","0.001","101.835","0.006","99.157","0.006","110.433","0.007","1384.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C60 H54 Br2 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0685","0.0433","","","0.0945","0.1073","","","","","","1.046","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031030","14.5464","0.0007","13.4795","0.0007","18.7867","0.0012","90","","128.458","0.003","90","","2884.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 I N4 O3 S -","- C30 H27 I N4 O3 S -","- C120 H108 I4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0635","0.0425","","","0.0926","0.1053","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031031","10.098","0.0008","10.4098","0.0008","14.2493","0.0013","81.816","0.007","71.45","0.007","80.408","0.006","1393.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N4 O3 S -","- C31 H30 N4 O3 S -","- C62 H60 N8 O6 S2 -","2","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0825","0.0511","","","0.1162","0.1377","","","","","","1.037","","","","has coordinates","140161","2020-10-21","18:00:00",""
"4031032","12.6036","0.0005","24.3794","0.0008","10.3073","0.0003","90","","100.851","0.003","90","","3110.48","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N4 O3 S -","- C30 H27 Cl N4 O3 S -","- C120 H108 Cl4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0705","0.0514","","","0.1517","0.165","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031033","12.6036","0.0007","24.4452","0.0012","10.3548","0.0004","90","","100.952","0.005","90","","3132.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Br N4 O3 S -","- C30 H27 Br N4 O3 S -","- C120 H108 Br4 N16 O12 S4 -","4","1","","Wang, Jinjin; Liu, Jiyong; Ding, Hualong; Wang, Jing; Lu, Ping; Wang, Yanguang","Construction of Multifunctional 3-Amino-2-carbamimidoylacrylamides and Their Crystalline Channel-Type Inclusion Complexes.","The Journal of organic chemistry","2015","80","11","5842","5850","10.1021/acs.joc.5b00827","","","0.71073","MoKα","","0.0776","0.047","","","0.1192","0.1326","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031034","10.6858","0.0004","6.5912","0.0003","15.6583","0.0007","90","","100.169","0.003","90","","1085.52","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Williams, David R.; Gladen, Paul T.; Pinchman, Joseph R.","Total synthesis of neodolastane diterpenes trichoaurantianolides C and d.","The Journal of organic chemistry","2015","80","11","5474","5493","10.1021/acs.joc.5b00355","","x-ray","1.54178","CuKα","","0.0421","0.0346","","","0.0805","0.0842","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031035","22.497","0.003","5.437","0.0007","16.731","0.003","90","","110.762","0.017","90","","1913.6","0.5","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Ruiz-Olalla, Andrea; Retamosa, María de Gracia; Cossío, Fernando P","Densely Substituted l-Proline Esters as Catalysts for Asymmetric Michael Additions of Ketones to Nitroalkenes.","The Journal of organic chemistry","2015","80","11","5588","5599","10.1021/acs.joc.5b00495","","x-ray","1.54184","CuKα","","0.0924","0.0658","","","0.1475","0.1674","","","","","","0.998","","","","has coordinates,has disorder","141372","2020-10-21","18:00:00",""
"4031036","4.0495","0.0013","5.6747","0.0018","41.897","0.013","90","","91.009","0.005","90","","962.6","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br O S -","- C10 H7 Br O S -","- C40 H28 Br4 O4 S4 -","4","1","","Mal, Kanchan; Kaur, Amanpreet; Haque, Fazle; Das, Indrajit","PPh3·HBr-DMSO: A Reagent System for Diverse Chemoselective Transformations.","The Journal of organic chemistry","2015","80","12","6400","6410","10.1021/acs.joc.5b00846","","","0.71073","MoKα","","0.0495","0.0423","","","0.1059","0.11","","","","","","1.064","","","","has coordinates","140156","2020-10-21","18:00:00",""
"4031037","12.2093","0.0006","13.8951","0.0009","19.7678","0.0013","98.263","0.002","96.719","0.002","90.646","0.002","3294.6","0.3","122","2","122","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 S12 Si2 -","- C59.453 H78 S12 Si2 -","- C118.906 H156 S24 Si4 -","2","1","","Jiang, Huixin; Mazzanti, Virginia; Parker, Christian R.; Broman, Søren Lindbæk; Wallberg, Jens Heide; Lušpai, Karol; Brincko, Adam; Kjaergaard, Henrik G.; Kadziola, Anders; Rapta, Peter; Hammerich, Ole; Nielsen, Mogens Brøndsted","Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores.","Beilstein journal of organic chemistry","2015","11","","930","948","10.3762/bjoc.11.104","","","0.71073","MoKα","","0.1006","0.0641","","","0.1519","0.1737","","","","","","1.028","","","","has coordinates,has disorder","140295","2020-10-21","18:00:00",""
"4031038","5.75012","0.00008","14.30489","0.00018","25.1436","0.0003","90","","90","","90","","2068.18","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl2 N O -","- C24 H21 Cl2 N O -","- C96 H84 Cl8 N4 O4 -","4","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0909","0.0926","","","","","","1.03","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031039","6.11584","0.00008","7.91067","0.00011","22.5849","0.0003","90","","93.7987","0.0012","90","","1090.27","0.03","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 Cl2 N O -","- C25 H23 Cl2 N O -","- C50 H46 Cl4 N2 O2 -","2","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.089","0.0892","","","","","","1.038","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031040","11.2911","0.0014","11.5932","0.0013","12.2066","0.0014","90","","90","","90","","1597.8","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","1","","Slater, Kara A.; Friestad, Gregory K.","Mn-Mediated Radical-Ionic Annulations of Chiral N-Acylhydrazones.","The Journal of organic chemistry","2015","80","12","6432","6440","10.1021/acs.joc.5b00863","","","0.71073","MoKα","","0.0643","0.0406","","","0.0804","0.0893","","","","","","1.024","","","","has coordinates,has disorder","140149","2020-10-21","18:00:00",""
"4031041","9.8962","0.0002","12.3956","0.0002","14.3686","0.0003","103.711","0.001","104.868","0.001","107.407","0.001","1528.58","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C72 H92 N4 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0638","0.055","","","0.1233","0.1312","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031042","11.4645","0.0002","10.3142","0.0002","17.1773","0.0003","90","","100.207","0.001","90","","1999.02","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0636","0.0534","","","0.1217","0.1303","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031043","10.9544","0.0002","15.5811","0.0002","16.24","0.0003","90","","93.015","0.0001","90","","2768.03","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N2 S -","- C33 H34 N2 S -","- C132 H136 N8 S4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0712","0.0564","","","0.1228","0.1339","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031044","10.3678","0.0001","20.1857","0.0003","38.4806","0.0006","90","","95.39","0.001","90","","8017.66","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H62 Al N2 -","- C44.5 H62 Al N2 -","- C356 H496 Al8 N16 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1156","0.0772","","","0.1678","0.1899","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031045","14.0496","0.0008","9.4","0.0005","21.414","0.0012","90","","104.563","0.005","90","","2737.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C128 H144 N8 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0702","0.048","","","0.1065","0.1207","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031046","9.5726","0.0001","10.3245","0.0002","19.003","0.0003","89.129","0.001","79.111","0.001","79.743","0.001","1814.49","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Al N3 -","- C38 H58 Al N3 -","- C76 H116 Al2 N6 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0531","0.047","","","0.1096","0.1156","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031047","15.5641","0.0002","9.7761","0.0002","20.3018","0.0003","90","","91.927","0.002","90","","3087.3","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C144 H184 N8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0727","0.0528","","","0.1161","0.1306","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031048","16.316","0.003","18.957","0.004","24.372","0.005","90","","93.41","0.03","90","","7525","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 S -","- C41 H51 Al N2 S -","- C328 H408 Al8 N16 S8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.1035","0.0672","","","0.1299","0.149","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031049","24.337","0.0003","14.4058","0.0002","23.6049","0.0003","90","","116.255","0.001","90","","7421.96","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Al N2 O -","- C41 H51 Al N2 O -","- C328 H408 Al8 N16 O8 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0809","0.0593","","","0.1238","0.1378","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031050","12.2472","0.0002","14.9329","0.0002","15.3099","0.0002","90","","105.568","0.001","90","","2697.25","0.07","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N2 O -","- C33 H34 N2 O -","- C132 H136 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0656","0.0544","","","0.1283","0.1361","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031051","9.5999","0.0003","21.4717","0.0007","21.4092","0.0008","90","","103.025","0.002","90","","4299.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C192 H240 N16 O8 -","8","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0673","0.0559","","","0.1447","0.1556","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031052","11.2789","0.0002","14.8836","0.0002","16.6853","0.0003","108.907","0.001","93.118","0.001","90.678","0.001","2644.64","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H41 N3 -","- C30 H41 N3 -","- C120 H164 N12 -","4","2","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0895","0.0718","","","0.1562","0.1699","","","","","","1.095","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031053","13.3302","0.0002","17.4231","0.0003","13.193","0.0002","90","","112.82","0.001","90","","2824.28","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 O2 -","- C31 H41 N3 O2 -","- C124 H164 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.085","0.0635","","","0.1315","0.147","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031054","11.7512","0.0002","13.6029","0.0002","16.0553","0.0002","90","","90","","90","","2566.45","0.07","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0385","0.035","","","0.0779","0.0813","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031055","9.6606","0.0005","10.3697","0.0004","19.904","0.0011","90","","94.215","0.004","90","","1988.54","0.17","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","1.54178","CuKα","","0.0547","0.0429","","","0.1017","0.1096","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031056","35.9358","0.0004","10.7792","0.0003","13.7801","0.0002","90","","105.597","0.001","90","","5141.29","0.17","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C256 H240 N16 O16 -","8","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.05","0.0424","","","0.0989","0.1058","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031057","9.3621","0.0002","10.0342","0.0002","18.8087","0.0005","91.158","0.001","99.102","0.001","115.881","0.001","1561.73","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Al N -","- C34 H46 Al N -","- C68 H92 Al2 N2 -","2","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.089","0.0736","","","0.1772","0.1926","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031058","12.6115","0.0002","13.0653","0.0002","14.4113","0.0002","67.348","","71.132","","86.941","0.001","2066.77","0.05","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","2","","Bornadiego, Ana; Díaz, Jesús; Marcos, Carlos F.","Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones.","The Journal of organic chemistry","2015","80","12","6165","6172","10.1021/acs.joc.5b00658","","","0.71073","MoKα","","0.054","0.0434","","","0.1384","0.1506","","","","","","1.1487","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031059","5.283","0.0012","10.535","0.003","18.544","0.004","84.255","0.018","85.865","0.017","89.552","0.019","1024.2","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1572","0.0813","","","0.1928","0.2601","","","","","","1.009","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031060","5.4181","0.0006","15.648","0.0015","12.4307","0.0015","90","","92.416","0.009","90","","1053","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N3 O6 -","- C19 H25 N3 O6 -","- C38 H50 N6 O12 -","2","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.1251","0.0637","","","0.1392","0.1723","","","","","","1.046","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031061","5.4242","0.0013","15.518","0.005","23.693","0.005","90","","90","","90","","1994.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2514","0.0757","","","0.0784","0.117","","","","","","0.976","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031062","10.7814","0.001","10.1234","0.0008","26.655","0.003","90","","90.485","0.01","90","","2909.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N3 O7 -","- C28 H33 N3 O7 -","- C112 H132 N12 O28 -","4","2","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2651","0.0999","","","0.2027","0.2498","","","","","","0.969","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031063","8.7262","0.0002","17.1531","0.0005","11.8482","0.0003","90","","92.796","0.001","90","","1771.34","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0314","0.0313","","","0.0746","0.0748","","","","","","1.083","","","","has coordinates","138001","2020-10-21","18:00:00",""
"4031064","10.1366","0.0003","6.8043","0.0002","22.8035","0.0007","90","","101.968","0.001","90","","1538.63","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Slauson, Stephen R.; Pemberton, Ryan; Ghosh, Partha; Tantillo, Dean J.; Aubé, Jeffrey","Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.","The Journal of organic chemistry","2015","80","10","5260","5271","10.1021/acs.joc.5b00804","","","1.54178","CuKα","","0.0388","0.0379","","","0.0975","0.0982","","","","","","1.138","","","","has coordinates","138002","2020-10-21","18:00:00",""
"4031065","5.2638","0.0002","19.753","0.0008","46.4372","0.0018","90","","90","","90","","4828.3","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H52 I2 N4 O11 -","- C51 H52 I2 N4 O11 -","- C204 H208 I8 N16 O44 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0347","0.0301","","","0.0734","0.0752","","","","","","1.047","","","","has coordinates,has disorder","138003","2020-10-21","18:00:00",""
"4031066","4.9813","0.0006","15.186","0.0017","30.852","0.004","90","","90","","90","","2333.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 I N2 O5 -","- C25 H25 I N2 O5 -","- C100 H100 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0699","0.0562","","","0.1352","0.1418","","","","","","1.012","","","","has coordinates","138004","2020-10-21","18:00:00",""
"4031067","4.8504","0.0004","11.6933","0.0009","18.5551","0.0015","90","","96.39","0.004","90","","1045.85","0.15","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C48 H48 N4 O10 -","2","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0465","0.0357","","","0.0851","0.0906","","","","","","1.046","","","","has coordinates","138005","2020-10-21","18:00:00",""
"4031068","5.1384","0.0003","15.0009","0.0009","28.0218","0.0016","90","","90","","90","","2159.9","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0886","0.054","","","0.1053","0.1172","","","","","","1.072","","","","has coordinates","138006","2020-10-21","18:00:00",""
"4031069","9.4075","0.0008","12.1987","0.001","27.339","0.002","90","","90","","90","","3137.4","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 -","- C35 H38 N2 O7 -","- C140 H152 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.117","0.0547","","","0.1057","0.1246","","","","","","1.012","","","","has coordinates,has disorder","138007","2020-10-21","18:00:00",""
"4031070","11.494","0.003","12.538","0.003","16.684","0.004","90","","90","","90","","2404.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O4 S -","- C23 H18 Cl3 N O4 S -","- C92 H72 Cl12 N4 O16 S4 -","4","1","","Wen, Jiangwei; Wei, Wei; Xue, Shengnan; Yang, Daoshan; Lou, Yu; Gao, Chaoyang; Wang, Hua","Metal-Free Oxidative Spirocyclization of Alkynes with Sulfonylhydrazides Leading to 3-Sulfonated Azaspiro[4,5]trienones.","The Journal of organic chemistry","2015","80","10","4966","4972","10.1021/acs.joc.5b00361","","","0.71073","MoKα","","0.0817","0.0579","","","0.1332","0.1458","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031071","10.83","0.002","10.354","0.002","11.114","0.002","90","","94.62","0.03","90","","1242.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Cl2 N O5 -","- C26 H25 Cl2 N O5 -","- C52 H50 Cl4 N2 O10 -","2","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0365","0.0277","","","0.0647","0.0667","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031072","5.6009","0.0011","14.502","0.003","24.919","0.005","90","","90","","90","","2024","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0403","0.0381","","","0.0823","0.084","","","","","","1.077","","","","has coordinates","138010","2020-10-21","18:00:00",""
"4031073","6.3432","0.0004","11.6806","0.0009","11.8916","0.0009","90","0.006","97.09","0.006","90","0.006","874.34","0.11","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyanoadamantan form A1","","","- C11 H13 N -","- C11 H13 N -","- C44 H52 N4 -","4","1","","Bremer, Matthias; Untenecker, Harald; Gunchenko, Pavel A.; Fokin, Andrey A.; Schreiner, Peter R.","Inverted Carbon Geometries: Challenges to Experiment and Theory.","The Journal of organic chemistry","2015","80","12","6520","6524","10.1021/acs.joc.5b00845","","x-ray","1.5418","CuKα","","0.0483","0.04","","","0.1035","0.1096","","","","","","1.061","","","","has coordinates","140148","2020-10-21","18:00:00",""
"4031074","10.3611","0.0012","6.327","0.0008","14.2252","0.0017","90","","110.316","0.0017","90","","874.52","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C38 H34 Br2 N4 O6 -","2","1","","Mao, Jian-Hui; Wang, Zi-Tian; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Oxidative Annulations of α,β-Unsaturated Aldehydes with Hydrazones: Selective Synthesis of Optically Active 4,5-Dihydropyridazin-3-ones and Pyridazin-3-ones.","The Journal of organic chemistry","2015","80","12","6350","6359","10.1021/acs.joc.5b00784","","","0.71073","MoKα","","0.0258","0.0233","","","0.0529","0.0538","","","","","","0.855","","","","has coordinates","140150","2020-10-21","18:00:00",""
"4031075","17.1991","0.0006","32.3567","0.0012","5.9359","0.0002","90","","90","","90","","3303.4","0.2","158","2","158","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H57 O7 -","- C34 H56.992 O7 -","- C136 H227.968 O28 -","4","1","","Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.","Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.","The Journal of organic chemistry","2015","80","12","6052","6061","10.1021/acs.joc.5b00410","","","1.54178","CuKα","","0.0705","0.0576","","","0.16","0.1647","","","","","","1.04","","","","has coordinates,has disorder","141368","2020-10-21","18:00:00",""
"4031076","8.8431","0.0015","9.2418","0.0009","11.882","0.0018","69.782","0.011","88.764","0.016","79.097","0.013","893.8","0.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C26 H14 O2 -","- C26 H14 O2 -","- C52 H28 O4 -","2","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0698","0.054","","","0.1445","0.1575","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031077","15.365","0.003","14.272","0.003","16.775","0.003","90","","90","","90","","3678.6","1.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P b c a","-P 2ac 2ab","61","","","","- C28 H14 -","- C28 H14 -","- C224 H112 -","8","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0602","","","0.1456","0.1499","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031078","21.7286","0.0007","7.9945","0.0002","13.6141","0.0004","90","","90.9662","0.0012","90","","2364.56","0.12","150","2","150","2","","","","","","","synthesized by Dr. Kaleta","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 Br4 -","- C28 H14 Br4 -","- C112 H56 Br16 -","4","0.5","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.0494","0.0326","","","0.0774","0.0835","","","","","","1.044","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031079","11.5848","0.0003","19.1308","0.0005","13.8902","0.0003","90","","97.353","0.001","90","","3053.12","0.13","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl2 -","- C36 H44 Cl2 -","- C144 H176 Cl8 -","4","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0414","","","0.0953","0.1066","","","","","","1.023","","","","has coordinates","140152","2020-10-21","18:00:00",""
"4031080","15.3762","0.0012","9.3483","0.0007","6.8213","0.0006","90","","90","","90","","980.5","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","2,2-dinitropropane-1,3-diyl dicarbamate","2,2-dinitropropane-1,3-diyl dicarbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0616","0.042","","","0.0718","0.0822","","","","","","1.047","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031081","13.471","0.003","6.399","0.0007","9.737","0.0013","90","","106.543","0.018","90","","804.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl carbamate","2,2-dinitropropyl carbamate","","- C4 H7 N3 O6 -","- C4 H7 N3 O6 -","- C16 H28 N12 O24 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0712","0.0507","","","0.1211","0.135","","","","","","1.066","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031082","13.4255","0.0008","10.2488","0.0006","7.469","0.0005","90","","95.778","0.006","90","","1022.48","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4,4-trinitrobutyl carbamate","4,4,4-trinitrobutyl carbamate","","- C5 H8 N4 O8 -","- C5 H8 N4 O8 -","- C20 H32 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0737","0.0573","","","0.1542","0.1684","","","","","","1.057","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031083","14.716","0.003","5.985","0.0009","9.6928","0.0012","90","","103.728","0.014","90","","829.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-fluoro-2,2-dinitroethyl nitrocarbamate","2-fluoro-2,2-dinitroethyl nitrocarbamate","","- C3 H3 F N4 O8 -","- C3 H3 F N4 O8 -","- C12 H12 F4 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0419","0.0306","","","0.0671","0.0735","","","","","","1.043","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031084","10.1269","0.0005","9.6783","0.0004","26.0397","0.0012","90","","90","","90","","2552.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","","- C5 H6 N6 O12 -","- C5 H6 N6 O12 -","- C40 H48 N48 O96 -","8","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0388","0.0295","","","0.0703","0.0762","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031085","15.4551","0.0006","6.2566","0.0002","9.7445","0.0004","90","","105.824","0.004","90","","906.55","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-dinitropropyl nitrocarbamate","2,2-dinitropropyl nitrocarbamate","","- C4 H6 N4 O8 -","- C4 H6 N4 O8 -","- C16 H24 N16 O32 -","4","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0387","0.0312","","","0.0742","0.0791","","","","","","1.051","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031086","8.569","0.001","10.803","0.0008","25.531","0.0005","90","","90","","90","","2363.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,4,4-trinitrobutyl nitrocarbamate","4,4,4-trinitrobutyl nitrocarbamate","","- C5 H7 N5 O10 -","- C5 H7 N5 O10 -","- C40 H56 N40 O80 -","8","2","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.1046","0.076","","","0.2012","0.2352","","","","","","1.033","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031087","14.207","0.005","18.011","0.006","20.025","0.007","89.45","0.05","74.45","0.04","88.09","0.04","4934","3","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H90 Br12 N6 -","- C108 H90 Br12 N6 -","- C216 H180 Br24 N12 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2613","0.1124","","","0.1938","0.236","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031088","20.366","0.006","15.717","0.004","21.878","0.006","90","","116.18","0.03","90","","6285","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Br4 N2 -","- C36.0005 H30 Br4 N2 -","- C288.004 H240 Br32 N16 -","8","2","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.134","0.0482","","","0.0581","0.0642","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031089","10.559","0.004","12.438","0.004","25.464","0.009","92.67","0.05","92.01","0.05","101.27","0.05","3273","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 Br8 N4 -","- C72 H60 Br8 N4 -","- C144 H120 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.2392","0.0634","","","0.0639","0.0745","","","","","","0.885","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031090","13.461","0.004","14.296","0.004","14.91","0.005","95.41","0.03","111.3","0.03","90.28","0.03","2659","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.5 H51 Br6 Cl2 N3 -","- C57.499 H51 Br6 Cl2 N3 -","- C114.998 H102 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1153","0.0487","","","0.0971","0.1076","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031091","15.649","0.005","16.371","0.006","17.414","0.006","103.6","0.03","104.12","0.03","107.62","0.03","3886","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 Br8 N4 -","- C92.001 H72 Br8 N4 -","- C184.002 H144 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1379","0.0675","","","0.1027","0.125","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031092","8.5347","0.0019","10.853","0.003","16.733","0.004","77.67","0.04","86.61","0.04","67.97","0.05","1403.2","0.8","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H76 N4 -","- C72 H76 N4 -","- C72 H76 N4 -","1","0.5","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.0931","0.0576","","","0.1117","0.1268","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031093","11.184","0.004","14.37","0.006","16.37","0.006","85.38","0.05","88","0.04","73.02","0.05","2507.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Br6 Cl2 N3 -","- C54 H47 Br6 Cl2 N3 -","- C108 H94 Br12 Cl4 N6 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1649","0.1069","","","0.2428","0.2696","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031094","13.356","0.004","16.431","0.005","20.106","0.006","72.86","0.03","77.55","0.03","70.52","0.03","3941","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H68 Br8 N4 -","- C98 H68 Br8 N4 -","- C196 H136 Br16 N8 -","2","1","","Myśliwiec, Damian; Lis, Tadeusz; Gregoliński, Janusz; Stępień, Marcin","Stereoselective Wittig Olefination as a Macrocyclization Tool. Synthesis of Large Carbazolophanes.","The Journal of organic chemistry","2015","80","12","6300","6312","10.1021/acs.joc.5b00745","","","0.71073","MoKα","","0.1245","0.0635","","","0.1049","0.1246","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031095","23.4015","0.0002","34.9475","0.0002","39.9599","0.0004","90","","91.391","0.001","90","","32670.5","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 H120 F12 N24 O12 Pd6 S16 -","- C136 H120 F12 N24 O12 Pd6 S16 -","- C544 H480 F48 N96 O48 Pd24 S64 -","4","1","","Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Pop, Flavia; Sallé, Marc","Tuning the size of a redox-active tetrathiafulvalene-based self-assembled ring.","Beilstein journal of organic chemistry","2015","11","","966","971","10.3762/bjoc.11.108","","x-ray","0.67","synchrotron","","0.1043","0.0917","","","0.2636","0.2787","","","","","","1.057","","","","has coordinates","140292","2020-10-21","18:00:00",""
"4031096","8.2829","0.0012","10.089","0.0015","30.145","0.004","90","","91.266","0.008","90","","2518.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C100 H128 N8 O20 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0672","0.0459","","","0.1239","0.1365","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031097","11.997","0.0005","18.4263","0.0007","12.1195","0.0004","90","","108.212","0.002","90","","2544.93","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S -","- C27 H28 N2 O4 S -","- C108 H112 N8 O16 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Microwave-Assisted Copper-Catalyzed Four-Component Tandem Synthesis of 3-N-Sulfonylamidine Coumarins.","The Journal of organic chemistry","2015","80","12","6291","6299","10.1021/acs.joc.5b00738","","","0.71073","MoKα","","0.0972","0.0506","","","0.1445","0.1713","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031098","7.5235","0.0004","15.9222","0.0009","20.545","0.0012","90","","90","","90","","2461.1","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0266","0.0261","","","0.0744","0.0751","","","","","","0.997","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031099","7.3352","0.0015","15.87","0.003","20.672","0.004","90","","90","","90","","2406.4","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0278","0.0267","","","0.069","0.0697","","","","","","1.052","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031100","11.158","0.002","6.258","0.0011","12.637","0.003","90","","113.207","0.002","90","","811","0.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 Br O -","- C23 H15 Br O -","- C46 H30 Br2 O2 -","2","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71069","MoKα","","","0.046","","","","0.1278","","","","","","1.073","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031101","7.48247","0.0001","12.22704","0.00013","17.86813","0.00019","90","","90","","90","","1634.73","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl (S)-2-(1-(4-nitrophenyl)-1,4-dioxopentan-3-yl)malonate","","- C16 H17 N O8 -","- C16 H17 N O8 -","- C64 H68 N4 O32 -","4","1","","Lippur, Kristin; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","CaCl2, Bisoxazoline, and Malonate: A Protocol for an Asymmetric Michael Reaction.","The Journal of organic chemistry","2015","80","12","6336","6341","10.1021/acs.joc.5b00769","","x-ray","1.54184","CuKα","","0.0249","0.0241","","","0.061","0.0616","","","","","","1.049","","","","has coordinates","140147","2020-10-21","18:00:00",""
"4031102","12.7684","0.0012","5.9698","0.0004","20.444","0.003","90","","100.819","0.011","90","","1530.6","0.3","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.1434","0.0861","","","0.2156","0.307","","","","","","1.049","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031103","10.5067","0.0008","11.0853","0.0008","15.2577","0.0011","87.332","0.006","89.286","0.006","62.328","0.007","1572","0.2","294.58","0.1","294.58","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","2","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","x-ray","0.71073","MoKα","","0.0643","0.0449","","","0.0907","0.1069","","","","","","1.081","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031104","11.2301","0.0009","4.8137","0.0004","15.8196","0.0017","90","","97.237","0.009","90","","848.37","0.13","182","30","182","30","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C28 H36 N4 O12 S4 -","4","1","","Zhong, Yuan; Ma, Shixiong; Li, Bai; Jiang, Xianxing; Wang, Rui","Diastereoselective Synthesis of Biheterocyclic Tetrahydrothiophene Derivatives via Base-Catalyzed Cascade Michael-Aldol [3 + 2] Annulation of 1,4-Dithiane-2,5-diol with Maleimides.","The Journal of organic chemistry","2015","80","13","6870","6874","10.1021/acs.joc.5b00897","","","0.71073","MoKα","","0.0852","0.052","","","0.1188","0.1425","","","","","","1.02","","","","has coordinates","140146","2020-10-21","18:00:00",""
"4031105","9.6196","0.0004","11.5783","0.0005","28.3556","0.0013","90","","90","","90","","3158.2","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.053","0.0418","","","0.0929","0.1009","","","","","","1.049","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031106","7.6641","0.0003","17.3063","0.0008","10.5169","0.0004","90","","93.678","0.004","90","","1392.06","0.1","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.0576","0.0426","","","0.0983","0.1069","","","","","","1.048","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031107","9.985","0.0007","14.3686","0.0013","16.9433","0.0009","69.827","0.007","77.025","0.006","74.068","0.007","2171.3","0.3","100","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C116 H100 N4 O4 -","4","2","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.1439","0.0651","","","0.1483","0.1964","","","","","","0.959","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031108","11.6205","0.0002","11.36761","0.00017","19.4826","0.0004","90","","105.549","0.002","90","","2479.41","0.08","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N O4 -","- C29 H31 N O4 -","- C116 H124 N4 O16 -","4","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","","1.5418","CuKα","","0.0507","0.0403","","","0.1074","0.1175","","","","","","1.027","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031109","13.4777","0.0007","9.3088","0.0007","17.2255","0.0013","90","","106.022","0.003","90","","2077.2","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C21.67 H23.67 B N2 O5.67 -","- C21.67 H23.68 B N2 O5.67 -","- C86.68 H94.72 B4 N8 O22.68 -","4","1","","Eberlin, Ludovic; Carboni, Bertrand; Whiting, Andrew","Regioisomeric and Substituent Effects upon the Outcome of the Reaction of 1-Borodienes with Nitrosoarene Compounds.","The Journal of organic chemistry","2015","80","13","6574","6583","10.1021/acs.joc.5b00593","","x-ray","0.71073","MoKα","","0.0661","0.0426","","","0.0955","0.1068","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031110","15.2114","0.0014","7.1506","0.0007","12.2547","0.0012","90","","90","","90","","1333","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0576","0.0406","","","0.0922","0.1023","","","","","","1.114","","","","has coordinates","140145","2020-10-21","18:00:00",""
"4031111","9.493","0.0005","8.0554","0.0004","23.9965","0.0012","90","","94.04","0.003","90","","1830.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O7 S -","- C17 H19 N O7 S -","- C68 H76 N4 O28 S4 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Bhattacharjee, Debajyoti; Deka, Ramesh Chandra; Punniyamurthy, Tharmalingam","Iron(III)-Mediated Radical Nitration of Bisarylsulfonyl Hydrazones: Synthesis of Bisarylnitromethyl Sulfones.","The Journal of organic chemistry","2015","80","13","6776","6783","10.1021/acs.joc.5b00820","","","0.71073","MoKα","","0.0481","0.0404","","","0.1135","0.12","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031112","9.3764","0.0007","14.5912","0.0011","16.0093","0.0012","84.4469","0.0017","85.6663","0.0018","87.7373","0.0018","2172.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H62 F3 O5 P Pd S -","- C45 H62 F3 O5 P Pd S -","- C90 H124 F6 O10 P2 Pd2 S2 -","2","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0536","0.0387","","","0.0849","0.094","","","","","","1.012","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031113","11.31","0.0017","17.578","0.003","17.184","0.003","90","","102.713","0.002","90","","3332.6","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Cl O2 P Pd -","- C34 H50 Cl O2 P Pd -","- C136 H200 Cl4 O8 P4 Pd4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0342","0.0313","","","0.0852","0.0877","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031114","12.9777","0.001","14.6182","0.0011","19.5826","0.0015","90","","90","","90","","3715","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 F3 O5 P Pd S -","- C35 H54 F3 O5 P Pd S -","- C140 H216 F12 O20 P4 Pd4 S4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0207","0.0193","","","0.0472","0.0481","","","","","","1.052","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031115","25.014","0.003","12.749","0.0013","18.2583","0.0019","90","","90","","90","","5822.6","1.1","200","2","200","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C55 H75 Cl O4 P2 Pd2 -","- C55 H75 Cl O4 P2 Pd2 -","- C220 H300 Cl4 O16 P8 Pd8 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.1578","0.0617","","","0.0961","0.1215","","","","","","1.033","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031116","17.8856","0.0014","14.336","0.0011","31.032","0.003","90","","97.703","0.002","90","","7885.1","1.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 F3 O3 P Pd S -","- C39 H54 F3 O3 P Pd S -","- C312 H432 F24 O24 P8 Pd8 S8 -","8","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0884","0.0484","","","0.1008","0.1186","","","","","","1.032","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031117","10.5192","0.0002","21.7942","0.0005","19.6037","0.0005","90","","91.659","0.002","90","","4492.41","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H63 N O2 P Pd -","- C51 H63 N O2 P Pd -","- C204 H252 N4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","1.54178","CuKα","","0.1002","0.0816","","","0.2032","0.2184","","","","","","1.094","","","","has coordinates","140137","2020-10-21","18:00:00",""
"4031118","14.2001","0.0013","15.3974","0.0014","16.3997","0.0015","102.011","0.002","100.472","0.002","105.765","0.001","3265.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H48 Cl O2 P Pd -","- C33 H48 Cl O2 P Pd -","- C132 H192 Cl4 O8 P4 Pd4 -","4","2","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.051","0.0334","","","0.0738","0.0831","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031119","9.722","0.0002","10.9729","0.0002","21.2502","0.0005","90","","90","","90","","2266.94","0.08","150","","150","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0869","0.0518","","0.1121","0.0921","0.0879","","","","","","0.9293","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031120","17.588","0.0004","5.8983","0.0002","18.3453","0.0006","90","","118.522","0.0011","90","","1672.15","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0672","0.0425","","0.1054","0.0966","0.1054","","","","","","0.9359","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031121","12.1751","0.0002","9.859","0.0001","14.8593","0.0002","90","","111.057","0.0006","90","","1664.52","0.04","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.1044","0.1012","","0.2218","0.2207","0.2218","","","","","","1.0803","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031122","16.6322","0.001","24.935","0.0011","9.3624","0.0004","90","","98.764","0.005","90","","3837.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","2","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","1.5418","CuKα","","0.1385","0.0767","","0.2405","0.1925","0.2399","","","","","","1.0928","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031123","5.5475","0.0005","16.3419","0.0015","19.7031","0.0016","90","","90","","90","","1786.2","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Drouillat, B.; Wright, K.; Quinodoz, P.; Marrot, J.; Couty, F.","Aza-[2,3]-Wittig Sigmatropic Rearrangement of Allylic Tertiary Amines: A Successful Example with High Chirality Transfer.","The Journal of organic chemistry","2015","80","13","6936","6940","10.1021/acs.joc.5b01230","","","0.71073","MoKα","","0.0635","0.0427","","","0.0903","0.1006","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031124","5.537","0.003","8.819","0.005","25.832","0.016","90","","90","","90","","1261.4","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 -","- C15 H18 N2 -","- C60 H72 N8 -","4","1","","Shih, Yu-Chiao; Tsai, Pei-Hua; Hsu, Chia-Chun; Chang, Chih-Wei; Jhong, Yuandong; Chen, Yun-Chung; Chien, Tun-Cheng","Biomimetic Approach toward the Total Synthesis of rac-2-(Acylmethylene)pyrrolidine Alkaloids.","The Journal of organic chemistry","2015","80","13","6669","6678","10.1021/acs.joc.5b00836","","","0.71073","MoKα","","0.1531","0.0593","","","0.1119","0.1459","","","","","","0.981","","","","has coordinates","152866","2020-10-21","18:00:00",""
"4031125","13.509","0.002","14.199","0.002","21.895","0.003","90","","90","","90","","4199.8","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N O Se -","- C25 H29 N O Se -","- C200 H232 N8 O8 Se8 -","8","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.0362","0.031","","","0.0823","0.0858","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031126","9.993","0.003","8.339","0.003","24.66","0.008","90","","91.37","0.004","90","","2054.4","1.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O S -","- C24 H25 N O S -","- C96 H100 N4 O4 S4 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1232","0.0653","","","0.1606","0.2127","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031127","6.9162","0.0002","7.8388","0.0002","9.2345","0.0003","103.149","0.001","106.046","0.002","99.634","0.002","454.13","0.02","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H19 N O Se -","- C22 H19 N O Se -","- C22 H19 N O Se -","1","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.6889","","","0.0565","0.0558","","","0.1389","0.1394","","","","","","1.08","","","","has coordinates","140136","2020-10-21","18:00:00",""
"4031128","12.013","0.004","12.215","0.003","13.938","0.004","90","","105.871","0.004","90","","1967.3","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.1163","0.0682","","","0.1272","0.1526","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031129","8.5697","0.0017","14.922","0.003","9.629","0.003","90","","96.435","0.003","90","","1223.6","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H19 B N4 O5 -","- C9 H19 B N4 O5 -","- C36 H76 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0438","0.0428","","","0.1409","0.1426","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031130","18.8403","0.0004","18.8403","0.0004","9.439","0.0004","90","","90","","90","","3350.44","0.17","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H86 B4 K4 N12 O29 -","- C40 H86 B4 K4 N12 O29 -","- C80 H172 B8 K8 N24 O58 -","2","0.25","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0349","0.0298","","","0.0713","0.0739","","","","","","1","","","","has coordinates,has disorder","140143","2020-10-21","18:00:00",""
"4031131","9.1143","0.0008","11.9915","0.0011","15.5531","0.0014","90","","97.131","0.002","90","","1686.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H25 B N4 O5 -","- C15 H25 B N4 O5 -","- C60 H100 B4 N16 O20 -","4","1","","Golovanov, Ivan S.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Synthesis of B,O,N-Doped Adamantanes and Diamantanes by Condensation of Oximes with Boronic Acids.","The Journal of organic chemistry","2015","80","13","6728","6736","10.1021/acs.joc.5b00892","","","0.71073","MoKα","","0.0428","0.0388","","","0.0935","0.0962","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031132","7.635","0.0008","15.3201","0.0015","23.135","0.002","90","","91.59","0.002","90","","2705","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C128 H96 Cl8 N8 O16 -","8","2","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.1086","0.083","","","0.1599","0.1696","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031133","12.1682","0.0012","10.0256","0.001","17.779","0.0013","90","","120.663","0.005","90","","1865.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Chandra Mohan, Darapaneni; Ravi, Chitrakar; Pappula, Venkatanarayana; Adimurthy, Subbarayappa","Synthesis of Indolizines through Oxidative Linkage of C-C and C-N Bonds from 2-Pyridylacetates.","The Journal of organic chemistry","2015","80","13","6846","6855","10.1021/acs.joc.5b00477","","","0.71073","MoKα","","0.0436","0.0391","","","0.1046","0.1088","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031134","9.5146","0.0005","10.4175","0.0008","22.0011","0.0016","91.882","0.006","95.119","0.005","93.892","0.005","2165.3","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F O3 S Si -","- C22 H23 F O3 S Si -","- C88 H92 F4 O12 S4 Si4 -","4","2","","Chen, Qiao; Yu, Hongmei; Xu, Zhaoqing; Lin, Li; Jiang, Xianxing; Wang, Rui","Development and Application of O-(Trimethylsilyl)aryl Fluorosulfates for the Synthesis of Arynes.","The Journal of organic chemistry","2015","80","13","6890","6896","10.1021/acs.joc.5b00923","","x-ray","0.71073","MoKα","","0.1422","0.0732","","","0.1572","0.2154","","","","","","1.034","","","","has coordinates","140140","2020-10-21","18:00:00",""
"4031135","4.0706","0.0004","18.1822","0.0013","13.7386","0.0008","90","","94.167","0.006","90","","1014.14","0.14","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","","Zhang, Zhiguo; Li, Junlong; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin","Iron-Catalyzed Intramolecular C(sp(2))-N Cyclization of 1-(N-Arylpyrrol-2-yl)ethanone O-Acetyl Oximes toward Pyrrolo[1,2-a]quinoxaline Derivatives.","The Journal of organic chemistry","2015","80","13","6875","6884","10.1021/acs.joc.5b00915","","","1.54184","CuKα","","0.0688","0.0523","","","0.1462","0.1641","","","","","","1.034","","","","has coordinates","140144","2020-10-21","18:00:00",""
"4031136","11.547","0.003","10.075","0.002","14.611","0.003","90","","90.595","0.002","90","","1699.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0426","0.0344","","","0.0859","0.0908","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031137","8.3947","0.0006","11.2061","0.0008","37.337","0.002","90","","90","","90","","3512.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 S -","- C17 H24 O4 S -","- C136 H192 O32 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0477","0.0386","","","0.105","0.1184","","","","","","1.09","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031138","13.3424","0.0004","13.8449","0.0004","19.8273","0.0006","90","","90","","90","","3662.58","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","1.54178","CuKα","","0.0309","0.0305","","","0.0794","0.0797","","","","","","1.063","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031139","9.6603","0.0004","13.1438","0.0004","15.3603","0.001","68.361","0.005","83.034","0.006","77.125","0.005","1765.67","0.16","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N4 O11 S -","- C33 H43 N4 O11 S -","- C66 H86 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","","","0.0603","0.0545","","","","0.2044","","","","","","1.7193","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031140","13.0212","0.0003","9.6819","0.0002","39.807","0.003","90","","94.832","0.007","90","","5000.6","0.4","366","2","366","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N4 O10 S -","- C23 H28 N4 O10 S -","- C184 H224 N32 O80 S8 -","8","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54178","CuKα","","0.0529","0.0488","","","0.1311","0.1341","","","","","","1.072","","","","has coordinates","152865","2020-10-21","18:00:00",""
"4031141","11.3485","0.0002","12.9448","0.0002","18.7575","0.0013","90","","94.659","0.007","90","","2746.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0778","0.0655","","","0.1481","0.1561","","","","","","1.017","","","","has coordinates,has disorder","152865","2020-10-21","18:00:00",""
"4031142","9.2452","0.0009","13.4235","0.0013","13.8572","0.0013","90.827","0.006","92.071","0.007","103.914","0.007","1667.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N4 O11 S -","- C32 H42 N4 O11 S -","- C64 H84 N8 O22 S2 -","2","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71075","MoKα","","0.0704","0.0547","","","0.1245","0.1328","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031143","10.2479","0.0002","12.9727","0.0002","20.7998","0.0015","90","","92.979","0.007","90","","2761.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 O10 S -","- C25 H32 N4 O10 S -","- C100 H128 N16 O40 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","1.54187","CuKα","","0.0342","0.0338","","","0.0997","0.1001","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031144","8.7426","0.0016","22.229","0.0015","13.9732","0.0011","90","","107.122","0.01","90","","2595.2","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H37 N O4 S -","- C27.5 H37 N O4 S -","- C110 H148 N4 O16 S4 -","4","1","","Chen, Shuming; Mercado, Brandon Q.; Bergman, Robert G.; Ellman, Jonathan A.","Regio- and Diastereoselective Synthesis of Highly Substituted, Oxygenated Piperidines from Tetrahydropyridines.","The Journal of organic chemistry","2015","80","13","6660","6668","10.1021/acs.joc.5b00816","","","0.71073","MoKα","","0.0969","0.0746","","","0.1319","0.1413","","","","","","1.105","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031145","7.8549","0.0006","21.3643","0.0015","6.9055","0.0005","90","","102.946","0.004","90","","1129.39","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N O5 -","- C10 H19 N O5 -","- C40 H76 N4 O20 -","4","1","","Shinde, Madhuri V.; Ople, Rohini S.; Sangtani, Ekta; Gonnade, Rajesh; Reddy, D. Srinivasa","Synthesis of novel N-cyclopentenyl-lactams using the Aubé reaction.","Beilstein journal of organic chemistry","2015","11","","1060","1067","10.3762/bjoc.11.119","","","0.71073","MoKα","","0.0501","0.0446","","","0.1156","0.1203","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031146","21.9809","0.0006","5.6654","0.0001","18.7773","0.0005","90","","94.717","0.001","90","","2330.43","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F17 N O2 S -","- C18 H14 F17 N O2 S -","- C72 H56 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0774","0.0675","","","0.2093","0.2187","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031147","5.9298","0.0001","9.006","0.0002","44.0769","0.0011","90","","90.116","0.001","90","","2353.87","0.09","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl F17 N O2 S -","- C18 H13 Cl F17 N O2 S -","- C72 H52 Cl4 F68 N4 O8 S4 -","4","1","","Dzandzi, James P. K.; Beckford Vera, Denis R.; Genady, Afaf R.; Albu, Silvia A.; Eltringham-Smith, Louise J; Capretta, Alfredo; Sheffield, William P.; Valliant, John F.","Fluorous Analogue of Chloramine-T: Preparation, X-ray Structure Determination, and Use as an Oxidant for Radioiodination and s-Tetrazine Synthesis.","The Journal of organic chemistry","2015","80","14","7117","7125","10.1021/acs.joc.5b00988","","","1.54178","CuKα","","0.0729","0.0613","","","0.1548","0.1621","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031148","12.5944","0.0004","8.1531","0.0002","13.457","0.0005","90","","94.025","0.002","90","","1378.4","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /cyclohexanone (1:1)","","- C34 H36 O5 -","- C34 H36 O5 -","- C68 H72 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0488","0.0388","","","0.0986","0.1045","","","","","","1.037","","","","has coordinates","152870","2020-10-21","18:00:00",""
"4031149","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","152870","2020-10-21","18:00:00",""
"4031150","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031151","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031152","5.6115","0.0011","9.994","0.0019","28.653","0.006","90","","90","","90","","1606.9","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Suga, Hiroyuki; Sekikawa, Yurie; Misawa, Shunta; Kinugawa, Daito; Oda, Rinnosuke; Itoh, Kennosuke; Toda, Yasunori; Kiyono, Ryotaro","Chiral Lewis Acid-Catalyzed Enantioselective Cycloadditions between Indoles and Cyclic Carbonyl Ylides Derived from Diazodiketone or Diazoketoester Derivatives.","The Journal of organic chemistry","2015","80","13","6687","6696","10.1021/acs.joc.5b00835","","","0.71073","MoKα","","0.0301","0.0264","","","0.0523","0.0533","","","","","","0.949","","","","has coordinates","140138","2020-10-21","18:00:00",""
"4031153","7.494","0.009","11.707","0.015","34.23","0.04","90","","90","","90","","3003","6","293.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Saikia, Pallabi; Gogoi, Sanjib; Boruah, Romesh C.","Carbon-Carbon Bond Cleavage Reaction: Synthesis of Multisubstituted Pyrazolo[1,5-a]pyrimidines.","The Journal of organic chemistry","2015","80","13","6885","6889","10.1021/acs.joc.5b00933","","","0.71075","MoKα","","","0.1085","","","","0.0896","","","","","","6.395","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031154","15.4352","0.0006","11.6815","0.0004","12.8772","0.0005","90","","109.697","0.0012","90","","2185.98","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PRB006","","","- C31 H22 S -","- C31 H22 S -","- C124 H88 S4 -","4","1","","Röse, Philipp; Garcia, Carmen Carlota Magraner; Pünner, Florian; Harms, Klaus; Hilt, Gerhard","Cobalt-Catalyzed Cross-Benzannulation of Conjugated Enynes and Diynes.","The Journal of organic chemistry","2015","80","14","7311","7316","10.1021/acs.joc.5b01198","","","0.71073","MoKα","","0.0368","0.0331","","","0.0817","0.0843","","","","","","1.052","","","","has coordinates","152871","2020-10-21","18:00:00",""
"4031155","11.199","0.0004","12.1908","0.0004","15.6001","0.0005","84.885","0.002","73.475","0.002","67.037","0.001","1879.46","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Furopyrrole","","","- C38 H45 N O12 S -","- C38 H45 N O12 S -","- C76 H90 N2 O24 S2 -","2","1","","Ghosh, Asit; Pandey, Ashok Kumar; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Donor-Acceptor Cyclopropane and N-Tosylaziridinedicarboxylate: One-Step Synthesis of Functionalized 2H-Furo[2,3-c]pyrroles.","The Journal of organic chemistry","2015","80","14","7235","7242","10.1021/acs.joc.5b00705","","","0.71073","MoKα","","0.0783","0.0498","","","0.1164","0.1291","","","","","","1.024","","","","has coordinates","152874","2020-10-21","18:00:00",""
"4031156","4.98554","0.00007","20.3658","0.0004","21.6733","0.0003","90","","90","","90","","2200.59","0.06","293.7","0.2","293.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zhang, Shuang; Luo, Yong-Chun; Hu, Xiu-Qin; Wang, Zhu-Yin; Liang, Yong-Min; Xu, Peng-Fei","Enantioselective Amine-Catalyzed [4 + 2] Annulations of Allene Ketones and 2,3-Dioxopyrrolidine Derivatives: Synthesis of 4H-Pyran Derivatives.","The Journal of organic chemistry","2015","80","14","7288","7294","10.1021/acs.joc.5b00961","","","1.5418","CuKα","","0.0391","0.0368","","","0.1032","0.1071","","","","","","1.032","","","","has coordinates","152876","2020-10-21","18:00:00",""
"4031157","15.7456","0.0009","11.6139","0.0003","14.381","0.0007","90","","115.775","0.006","90","","2368.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C96 H112 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.147","0.0693","","","0.1808","0.2319","","","","","","1.05","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031158","12.2544","0.0012","14.9319","0.0015","18.2704","0.0017","90","","106.077","0.01","90","","3212.4","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Mahendar, Lodi; Satyanarayana, Gedu","Domino One-Pot Process for the Synthesis of Isobenzofuran-1(3H)-ones via [Cu]-Catalysis Using Water as the Green Solvent.","The Journal of organic chemistry","2015","80","14","7089","7098","10.1021/acs.joc.5b00888","","","0.7107","MoKα","","0.124817","0.063481","","","","0.188906","","","","","","1.08053","","","","has coordinates","152881","2020-10-21","18:00:00",""
"4031159","15.584","0.002","12.3431","0.0019","13.574","0.002","90","","121.346","0.001","90","","2229.9","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 5bh","","","- C23 H24 Br N2 O5.5 -","- C23 H24 Br N2 O5.5 -","- C92 H96 Br4 N8 O22 -","4","1","","Di Iorio, Nicola; Righi, Paolo; Ranieri, Silvia; Mazzanti, Andrea; Margutta, Riccardo G.; Bencivenni, Giorgio","Vinylogous Reactivity of Oxindoles Bearing Nonsymmetric 3-Alkylidene Groups.","The Journal of organic chemistry","2015","80","14","7158","7171","10.1021/acs.joc.5b01022","","","0.71073","MoKα","","0.0402","0.0356","","","0.0901","0.0929","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031161","5.7556","0.0012","9.6236","0.0019","20.198","0.004","90","","92.65","0.03","90","","1117.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.0877","0.0714","","","0.1941","0.2074","","","","","","1.255","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031162","12.881","0.003","9.3888","0.0019","20.978","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl4 N6 -","- C26 H18 Cl4 N6 -","- C104 H72 Cl16 N24 -","4","0.5","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.061","0.0527","","","0.1783","0.1909","","","","","","1.337","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031167","15.15","0.004","15.15","","5.685","0.002","90","","90","","120","","1130","0.5","100","","100","","","","","","","","","3","P 31","P 31","144","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C42 H66 O15 -","3","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","x-ray","1.54178","CuKα","","0.121","0.1168","","","0.2844","0.2944","","","","","","1.294","","","","has coordinates","152872","2020-10-21","18:00:00",""
"4031168","6.656","0.0011","15.213","0.003","8.0795","0.0014","90","","102.591","0.009","90","","798.4","0.2","203","2","203","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O3 S -","- C16 H16 Cl N O3 S -","- C32 H32 Cl2 N2 O6 S2 -","2","1","","Shaw, Scott A.; Balasubramanian, Balu; Bonacorsi, Samuel; Cortes, Janet Caceres; Cao, Kevin; Chen, Bang-Chi; Dai, Jun; Decicco, Carl; Goswami, Animesh; Guo, Zhiwei; Hanson, Ronald; Humphreys, W. Griffith; Lam, Patrick Y. S.; Li, Wenying; Mathur, Arvind; Maxwell, Brad D.; Michaudel, Quentin; Peng, Li; Pudzianowski, Andrew; Qiu, Feng; Su, Shun; Sun, Dawn; Tymiak, Adrienne A.; Vokits, Benjamin P.; Wang, Bei; Wexler, Ruth; Wu, Dauh-Rurng; Zhang, Yingru; Zhao, Rulin; Baran, Phil S.","Synthesis of Biologically Active Piperidine Metabolites of Clopidogrel: Determination of Structure and Analyte Development.","The Journal of organic chemistry","2015","80","14","7019","7032","10.1021/acs.joc.5b00632","","","1.54184","CuKα","","0.0298","0.0288","","","0.0729","0.0834","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031169","7.1","0.0009","13.5894","0.0018","15.327","0.002","90","","91.601","0.005","90","","1478.2","0.3","140","2","140","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C17 H15 I O2 -","- C17 H15 I O2 -","- C68 H60 I4 O8 -","4","1","","Ravindra, Barnala; Maity, Sanjay; Das, Braja Gopal; Ghorai, Prasanta","Organocatalytic, Enantioselective Synthesis of 1- and 3-Substituted Isochromans via Intramolecular Oxa-Michael Reaction of Alkoxyboronate: Synthesis of (+)-Sonepiprazole.","The Journal of organic chemistry","2015","80","14","7008","7018","10.1021/acs.joc.5b00719","","","0.71073","MoKα","","0.0228","0.0214","","","0.0714","0.074","","","","","","0.671","","","","has coordinates","152875","2020-10-21","18:00:00",""
"4031170","19.5452","0.0004","6.7915","0.00012","17.2517","0.0003","90","","90","","90","","2290.01","0.07","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 O2 S -","- C13 H14 O2 S -","- C104 H112 O16 S8 -","8","1","","Higashimae, Shinya; Tamai, Taichi; Nomoto, Akihiro; Ogawa, Akiya","Selective Thiolative Lactonization of Internal Alkynes Bearing a Hydroxyl Group with Carbon Monoxide and Organic Disulfides Catalyzed by Transition-Metal Complexes.","The Journal of organic chemistry","2015","80","14","7126","7133","10.1021/acs.joc.5b00977","","","0.71075","MoKα","","","0.0413","","","","0.1036","","","","","","1.144","","","","has coordinates","152879","2020-10-21","18:00:00",""
"4031178","8.4161","0.0002","13.3624","0.0003","24.8701","0.0005","90","","90","","90","","2796.87","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C128 H128 N4 O16 P4 -","4","1","","Zhuang, Yue; He, Yuwei; Zhou, Zihong; Xia, Wang; Cheng, Chuyu; Wang, Meng; Chen, Bin; Zhou, Zhongyuan; Pang, Jiyan; Qiu, Liqin","Synthesis of a Class of Chiral-Bridged Phosphoramidite Ligands and Their Applications in the First Iridium-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatins.","The Journal of organic chemistry","2015","80","14","6968","6975","10.1021/acs.joc.5b00595","","","0.71073","MoKα","","0.0613","0.0377","","","0.0797","0.0906","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031179","6.738","0.0003","10.5506","0.0004","19.1623","0.0008","90","","99.501","0.002","90","","1343.56","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","AD-314","","","- C21 H41 N3 O4 Si2 -","- C21 H41 N3 O4 Si2 -","- C42 H82 N6 O8 Si4 -","2","1","","Diez-Martinez, Alba; Kim, Eun-Kyong; Krishnamurthy, Ramanarayanan","Hydrogen-Bonding Complexes of 5-Azauracil and Uracil Derivatives in Organic Medium.","The Journal of organic chemistry","2015","80","14","7066","7075","10.1021/acs.joc.5b00911","","","0.71073","MoKα","","0.0395","0.0359","","","0.099","0.1013","","","","","","1.009","","","","has coordinates","152880","2020-10-21","18:00:00",""
"4031188","9.998","0.002","18.421","0.004","18.701","0.004","90","","101.85","0.03","90","","3370.8","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl I N2 O -","- C17 H14 Cl I N2 O -","- C136 H112 Cl8 I8 N16 O8 -","8","2","","Gazzola, Silvia; Beccalli, Egle M.; Borelli, Tea; Castellano, Carlo; Chiacchio, Maria Assunta; Diamante, Daria; Broggini, Gianluigi","Copper(II)-Catalyzed Alkoxyhalogenation of Alkynyl Ureas and Amides as a Route to Haloalkylidene-Substituted Heterocycles.","The Journal of organic chemistry","2015","80","14","7226","7234","10.1021/acs.joc.5b01227","","","0.71073","MoKα","","0.0634","0.0406","","","0.11","0.1247","","","","","","0.988","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031191","7.8979","0.0002","7.0132","0.0002","27.3048","0.0009","90","","95.306","0.003","90","","1505.92","0.08","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Liu, Xianglei; Li, Bin; Gu, Zhenhua","Palladium-Catalyzed Heck-type Domino Cyclization and Carboxylation to Synthesize Carboxylic Acids by Utilizing Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2015","80","15","7547","7554","10.1021/acs.joc.5b01126","","","1.54184","CuKα","","0.0601","0.0508","","","0.156","0.1644","","","","","","1.078","","","","has coordinates","154691","2020-10-21","18:00:00",""
"4031266","16.7819","0.0004","9.7325","0.0003","25.9139","0.0008","90","","100.705","0.003","90","","4158.9","0.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Cl2 N2 O14 -","- C45 H40 Cl2 N2 O14 -","- C180 H160 Cl8 N8 O56 -","4","0.5","","Du, Yu-Liu; Zhu, Yi-Fan; Han, Zhi-Yong","Pd(II)-Catalyzed Cycloisomerization/Dipolar Cycloaddition Cascade of N-Arylnitrone Alkynes with Olefins.","The Journal of organic chemistry","2015","80","15","7732","7738","10.1021/acs.joc.5b00717","","","1.54184","CuKα","","0.0761","0.068","","","0.1878","0.1967","","","","","","1.088","","","","has coordinates","154692","2020-10-21","18:00:00",""
"4031279","20.039","0.0015","5.3151","0.0004","25.268","0.002","90","","90.051","0.003","90","","2691.3","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H22 Br2 N2 O10 Se2 -","- C22 H22 Br2 N2 O10 Se2 -","- C88 H88 Br8 N8 O40 Se8 -","4","2","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0536","0.0492","","","0.1261","0.1309","","","","","","1.085","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031280","18.5268","0.0006","8.4433","0.0004","16.9773","0.0007","90","","102.391","0.002","90","","2593.85","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 N2 O10 Se -","- C22 H22 Br2 N2 O10 Se -","- C88 H88 Br8 N8 O40 Se4 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Butcher, Ray J.; Lu, Xi; Mestres, Gemma; Ott, Marjam Karlsson; Engman, Lars","Effect of a Bromo Substituent on the Glutathione Peroxidase Activity of a Pyridoxine-like Diselenide.","The Journal of organic chemistry","2015","80","15","7385","7395","10.1021/acs.joc.5b00797","","","0.71073","MoKα","","0.0759","0.0489","","","0.1056","0.1163","","","","","","1.038","","","","has coordinates","154682","2020-10-21","18:00:00",""
"4031281","6.27393","0.00018","16.0274","0.0005","20.185","0.0005","90","","90","","90","","2029.7","0.1","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br F N O2 -","- C23 H17 Br F N O2 -","- C92 H68 Br4 F4 N4 O8 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","x-ray","1.54184","CuKα","","0.0573","0.0501","","","0.1447","0.1532","","","","","","1.019","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031282","8.1655","0.0003","15.7026","0.0005","20.6676","0.001","90","","90","","90","","2649.99","0.18","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br3 N3 O -","- C24 H32 Br3 N3 O -","- C96 H128 Br12 N12 O4 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","","1.54184","CuKα","","0.033","0.0305","","","0.074","0.0758","","","","","","1.035","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031283","9.9015","0.0005","13.1057","0.0007","16.6329","0.0009","108.373","0.003","90.458","0.003","102.806","0.003","1990.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","","0.0811","","","0.1492","0.1735","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031284","7.6255","0.0003","9.563","0.0003","13.5894","0.0005","76.619","0.002","81.045","0.002","84.502","0.002","950.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Divergent Synthesis of 2-Aminofurans via Palladium-Catalyzed Acetoxylative, Alkoxylative, and Hydroxylative Cycloisomerization of Homoallenyl Amides.","The Journal of organic chemistry","2015","80","15","7604","7612","10.1021/acs.joc.5b01182","","","0.71073","MoKα","","0.0899","0.0626","","","0.1845","0.2045","","","","","","1.282","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031285","17.0568","0.0011","5.3536","0.0003","18.9471","0.0012","90","","114.21","0.008","90","","1577.99","0.19","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl -","- C21 H17 Cl -","- C84 H68 Cl4 -","4","1","","Xu, Shuai; Shangguan, Xianghang; Li, Huan; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Cross-Coupling of 1,1-Diboronates with 2,2'-Dibromobiphenyls: Synthesis of 9H-Fluorenes.","The Journal of organic chemistry","2015","80","15","7779","7784","10.1021/acs.joc.5b01100","","","0.7107","MoKα","","0.0605","0.0436","","","0.1041","0.1177","","","","","","1.052","","","","has coordinates","154693","2020-10-21","18:00:00",""
"4031286","9.2909","0.0005","10.2262","0.0006","12.7855","0.0011","95.855","0.003","103.035","0.003","116.158","0.002","1033.68","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-nitro-2-pyrimidinamine","","","- C8 H11 Cl N4 O2 -","- C8 H11 Cl N4 O2 -","- C32 H44 Cl4 N16 O8 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.048","0.0476","","","0.1251","0.1256","","","","","","1.039","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031287","6.7981","0.0005","12.5573","0.0008","12.871","0.0009","115.807","0.0015","91.4548","0.0019","91.888","0.002","987.66","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-(4-Chloro-5-nitro-2-pyrimidinyl)morpholine","","","- C8 H9 Cl N4 O3 -","- C8 H9 Cl N4 O3 -","- C32 H36 Cl4 N16 O12 -","4","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0292","0.0291","","","0.0779","0.0784","","","","","","1.074","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031288","9.0358","0.0018","18.005","0.004","6.8441","0.0014","90","","110.52","0.03","90","","1042.8","0.4","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-5-nitro-2-(1-piperidinyl)-pyrimidine","","","- C9 H11 Cl N4 O2 -","- C9 H11 Cl N4 O2 -","- C36 H44 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54184","CuKα","","0.0395","0.0371","","","0.0936","0.0943","","","","","","1.168","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031289","4.5744","0.0001","9.2398","0.0003","28.2011","0.0008","90","","92.171","0.002","90","","1191.11","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-(4-chlorobutyl)-N-methyl-5-nitro-2-pyrimidinamine","","","- C9 H12 Cl2 N4 O2 -","- C9 H12 Cl2 N4 O2 -","- C36 H48 Cl8 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0323","0.0296","","","0.0846","0.0864","","","","","","1.192","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031290","5.1161","0.0001","9.4299","0.0003","13.2397","0.0004","73.055","0.001","81.356","0.001","89.632","0.001","603.6","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-cyclohexyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C11 H15 Cl N4 O2 -","- C11 H15 Cl N4 O2 -","- C22 H30 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0352","0.0351","","","0.0889","0.0889","","","","","","1.204","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031291","19.71","0.011","3.775","0.002","23.807","0.014","90","","113.106","0.009","90","","1629.3","1.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Chloro-N,N-dimethyl-5-nitro-2-pyrimidinamine","","","- C6 H7 Cl N4 O2 -","- C6 H7 Cl N4 O2 -","- C48 H56 Cl8 N32 O16 -","8","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.1102","0.0965","","","0.2263","0.232","","","","","","1.208","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031292","9.7969","0.0003","8.3719","0.0003","14.3309","0.0005","90","","108.517","0.002","90","","1114.55","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chloro-N-methyl-N-phenyl-5-nitro-2-pyrimidinamine","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C44 H36 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0378","0.0324","","","0.0942","0.0982","","","","","","1.107","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031293","6.0855","0.0003","7.9433","0.0004","10.3049","0.0005","99.743","0.003","106.984","0.003","100.825","0.003","454.42","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N-ethyl-N-methyl-5-nitro-2-pyrimidinamine","","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C14 H18 Cl2 N8 O4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0402","0.0389","","","0.1022","0.1033","","","","","","1.056","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031294","15.4117","0.0005","4.5895","0.0002","18.8836","0.0006","90","","97.085","0.001","90","","1325.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-benzyl-N-ethyl-5-nitro-2-pyrimidinamine","","","- C13 H13 Cl N4 O2 -","- C13 H13 Cl N4 O2 -","- C52 H52 Cl4 N16 O8 -","4","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0477","0.0467","","","0.1109","0.1114","","","","","","1.254","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031295","6.9943","0.0005","7.3867","0.0005","10.468","0.0007","97.082","0.002","106.868","0.002","92.782","0.002","511.58","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","4-Chloro-2-(diethylamino)pyrimidine-5-carbonitrile","","","- C9 H11 Cl N4 -","- C9 H11 Cl N4 -","- C18 H22 Cl2 N8 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.0297","0.0294","","","0.0805","0.0807","","","","","","1.048","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031296","8.8811","0.0008","10.4187","0.0009","24.2","0.002","87.291","0.003","89.811","0.004","79.757","0.004","2201","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-Chloro-N,N-diethyl-5-trifluoromethyl-2-pyrimidinamine","","","- C9 H11 Cl F3 N3 -","- C9 H11 Cl F3 N3 -","- C72 H88 Cl8 F24 N24 -","8","4","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.134","0.1237","","","0.3101","0.3189","","","","","","1.11","","","","has coordinates","154687","2020-10-21","18:00:00",""
"4031297","12.0826","0.0007","14.2388","0.0008","18.9958","0.0012","90","","90","","90","","3268.1","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Ethyl 2-(4-morpholinyl)-6-propyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C128 H176 N32 O24 -","8","2","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","1.54178","CuKα","","0.034","0.0322","","","0.0829","0.0842","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031298","8.9883","0.0007","9.2469","0.0007","16.0819","0.0016","99.512","0.002","94.431","0.002","110.498","0.001","1221.51","0.18","121","2","121","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)oxy]phenoxy]phenyl] sulfonyl]methyl]thiirane","","","- C23 H24 N4 O6 S2 -","- C23 H24 N4 O6 S2 -","- C46 H48 N8 O12 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0526","0.0433","","","0.1153","0.1223","","","","","","1.03","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031299","6.2113","0.0011","12.992","0.002","16.159","0.003","68.49","0.003","87.806","0.003","83.013","0.004","1204.1","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-[[[4-[4-[(2-Diethylamino-5-nitropyrimidin-4-yl)amino] phenoxy]phenyl]sulfonyl]methyl]thiirane","","","- C23 H25 N5 O5 S2 -","- C23 H25 N5 O5 S2 -","- C46 H50 N10 O10 S4 -","2","1","","Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles.","The Journal of organic chemistry","2015","80","15","7757","7763","10.1021/acs.joc.5b01044","","","0.71073","MoKα","","0.0776","0.0474","","","0.1042","0.1171","","","","","","1.015","","","","has coordinates,has disorder","154687","2020-10-21","18:00:00",""
"4031300","6.6511","0.0004","30.2073","0.0018","12.8484","0.0008","90","","102.15","0.004","90","","2523.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","2-phenyl-3,4-bis(p-tolylselanyl)-1-oxaspiro[4.5]dec-3-ene","","- C29 H30 O Se2 -","- C29 H30 O Se2 -","- C116 H120 O4 Se8 -","4","1","","Casola, Kamila K.; Back, Davi F.; Zeni, Gilson","Iron-Catalyzed Cyclization of Alkynols with Diorganyl Diselenides: Synthesis of 2,5-Dihydrofuran, 3,6-Dihydro-2H-pyran, and 2,5-Dihydro-1H-pyrrole Organoselanyl Derivatives.","The Journal of organic chemistry","2015","80","15","7702","7712","10.1021/acs.joc.5b01448","","","0.71073","MoKα","","0.0868","0.0415","","","0.0971","0.1255","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031306","7.83392","0.0002","15.49703","0.00041","8.75018","0.00024","90","","111.916","0.002","90","","985.53","0.05","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","Catena-(mu~4~-1,3-diethyl-2-thiobarbiturato-O,O',S,S)-silver(I)","- C8 H11 Ag N2 O2 S -","- C8 H11 Ag N2 O2 S -","- C32 H44 Ag4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Lutoshkin, Maxim","The crystal structure of Catena-(mu~4~-1,3-diethyl-2-thiobarbiturato-O,O',S,S)-silver(I)","Russian Journal of Inorganic Chemistry","2015","60","5","572","","10.7868/S0044457X15050074","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.69","2.569","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"4031307","6.9872","0.0007","11.6575","0.0012","11.8586","0.0012","90","","90","","90","","965.92","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Ramesh, Remya; Bell, Vaughn; Twidle, Andrew M.; Gonnade, Rajesh; Reddy, D. Srinivasa","Enantiospecific Synthesis of Both Enantiomers of the Longtailed Mealybug Pheromone and Their Evaluation in a New Zealand Vineyard.","The Journal of organic chemistry","2015","80","15","7785","7789","10.1021/acs.joc.5b01131","","","0.71073","MoKα","","0.0356","0.0329","","","0.0806","0.0824","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031308","6.874","0.001","7.057","0.001","21.567","0.004","95.44","0.03","96.09","0.03","110.21","0.03","966.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H24 B F4 N3 O -","- C19 H24 B F4 N3 O -","- C38 H48 B2 F8 N6 O2 -","2","2","","Rafiński, Zbigniew; Kozakiewicz, Anna","Enantioselective Synthesis of Chromanones Bearing Quaternary Substituted Stereocenters Catalyzed by (1R)-Camphor-Derived N-Heterocyclic Carbenes.","The Journal of organic chemistry","2015","80","15","7468","7476","10.1021/acs.joc.5b01029","","","0.71073","MoKα","","0.1616","0.0942","","","0.2468","0.304","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031309","8.2204","0.001","7.1959","0.0009","26.743","0.003","90","","92.96","0.002","90","","1579.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-dimethoxy-4,5-dihydrobenzo[l]acephenanthrylene","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0794","0.0449","","","0.1068","0.1249","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031310","26.103","0.019","9.905","0.007","4.977","0.004","90","","90","","90","","1286.8","1.7","296","2","296","2","","","","","","","","2","P n a 21","P 2c -2n","33","","benzo[l]acephenanthrylene","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0711","0.0376","","","0.0822","0.0966","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031311","5.8248","0.0002","14.0599","0.0004","14.9651","0.0005","90","","90","","90","","1225.58","0.07","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","5-methylbenzo[c]phenanthrene","","- C19 H14 -","- C19 H14 -","- C76 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","1.54178","CuKα","","0.0294","0.0291","","","0.0762","0.0766","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031312","7.7302","0.0007","8.0355","0.0007","21.3019","0.0018","90","","96.058","0.001","90","","1315.8","0.2","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4,5-dihydrobenzo[l]acephenanthrylene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0513","0.0409","","","0.1056","0.1136","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031313","11.9858","0.0011","14.5862","0.0014","8.9045","0.0008","90","","97.01","0.001","90","","1545.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxy-8-methylbenzo[c]phenanthrene","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","0.71073","MoKα","","0.0511","0.0391","","","0.1066","0.1169","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031314","6.84","","8.619","","11.394","","99.62","","92.49","","91.05","","661.427","","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C32 H20 N4 O2 S2 -","2","1","","Hayes, Colin O.; Bell, William K.; Cassidy, Benjamin R.; Willson, C. Grant","Synthesis and Characterization of a Two Stage, Nonlinear Photobase Generator.","The Journal of organic chemistry","2015","80","15","7530","7535","10.1021/acs.joc.5b01078","","","0.71075","MoKα","","0.0591","0.0497","","","0.1239","0.1279","","","","","","0.944","","","","has coordinates","154683","2020-10-21","18:00:00",""
"4031315","10.1197","0.0003","10.3678","0.0003","17.2578","0.0005","90","","102.59","0.003","90","","1767.13","0.09","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Pi, Chao; Cui, Xiuling; Wu, Yangjie","Iridium-Catalyzed Direct C-H Sulfamidation of Aryl Nitrones with Sulfonyl Azides at Room Temperature.","The Journal of organic chemistry","2015","80","15","7333","7339","10.1021/acs.joc.5b01377","","","1.54184","CuKα","","0.0511","0.0429","","","0.1162","0.1234","","","","","","1.029","","","","has coordinates","154685","2020-10-21","18:00:00",""
"4031316","5.789","0.0004","11.4354","0.0009","23.674","0.003","90","","90","","90","","1567.2","0.3","100.2","","100.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Guo, Biao; Zhou, Yiming; Zhang, Lei; Hua, Ruimao","Brønsted Acid-Promoted One-Pot Synthesis of Chrysene Derivatives via Isochromenylium Intermediate Formed in Situ.","The Journal of organic chemistry","2015","80","15","7635","7641","10.1021/acs.joc.5b01219","","","0.7107","MoKα","","0.0443","0.0381","","","0.079","0.0829","","","","","","1.055","","","","has coordinates","154680","2020-10-21","18:00:00",""
"4031317","9.5933","0.001","10.9297","0.0012","11.8168","0.0014","103.578","0.002","103.645","0.002","101.554","0.002","1126.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C58 H44 N4 O4 -","2","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.0709","0.0445","","","0.1049","0.1208","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031318","10.5565","0.0016","9.6319","0.0015","20.534","0.003","90","","100.558","0.003","90","","2052.5","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Li, Peiyuan; Zhang, Xinying; Fan, Xuesen","Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.","The Journal of organic chemistry","2015","80","15","7508","7518","10.1021/acs.joc.5b01092","","","0.71073","MoKα","","0.1096","0.0494","","","0.1115","0.1389","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031319","15.8651","0.0005","15.8651","0.0005","15.0224","0.0005","90","","90","","120","","3274.58","0.18","296","2","296","2","","","","","","","","4","P -3","-P 3","147","ye218","","","- C22 H24 N2 O4.4 -","- C22 H24 N2 O4.5 -","- C132 H144 N12 O27 -","6","1","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.1913","0.072","","","0.1744","0.2404","","","","","","0.95","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031320","14.4913","0.0004","8.9886","0.0002","15.3931","0.0004","90","","107.536","0.0012","90","","1911.87","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SKL-20150302","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","0.5","","Xuan, Zi; Kim, Ju Hyun; Lee, Sang-Gi","Tandem Blaise/Palladium-Catalyzed Ullmann Coupling for the One-Pot Synthesis of Enamino Ester-Functionalized Biaryls from Nitriles.","The Journal of organic chemistry","2015","80","15","7824","7829","10.1021/acs.joc.5b01375","","","0.71073","","","0.0635","0.0498","","","0.1284","0.1392","","","","","","1.043","","","","has coordinates","154690","2020-10-21","18:00:00",""
"4031321","11.829","0.004","11.851","0.003","13.944","0.004","91.376","0.0007","112.221","0.004","106.673","0.004","1714","0.9","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N2 O2 -","- C44 H29 N2 O2 -","- C88 H58 N4 O4 -","2","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0674","","","","0.2062","","","","","","1.123","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031322","14.404","0.004","40.3302","0.001","14.91","0.004","90","","113.081","0.004","90","","7968","3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H40 N2 O2.5 -","- C48.5 H38 N2 O2.5 -","- C388 H304 N16 O20 -","8","2","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0987","","","","0.2472","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031323","32.283","0.006","32.283","0.006","21.372","0.004","90","","90","","120","","19290","6","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50.67 H38.67 Cl2 N2 O2 -","- C50.6667 H38 Cl2 N2 O2 -","- C912 H684 Cl36 N36 O36 -","18","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.1321","","","","0.2491","","","","","","1.595","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031324","13.226","0.004","20.839","0.006","12.674","0.004","90","","91.091","0.004","90","","3492.5","1.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N2 O2 -","- C46 H38 N2 O2 -","- C184 H152 N8 O8 -","4","1","","Katoono, Ryo; Tanaka, Yuki; Kusaka, Keiichi; Fujiwara, Kenshu; Suzuki, Takanori","Dynamic Figure Eight Chirality: Multifarious Inversions of a Helical Preference Induced by Complexation.","The Journal of organic chemistry","2015","80","15","7613","7625","10.1021/acs.joc.5b01206","","","0.71075","MoKα","","","0.0629","","","","0.1481","","","","","","1.054","","","","has coordinates","154695","2020-10-21","18:00:00",""
"4031325","12.9987","0.0008","10.6699","0.0006","14.9873","0.0009","90","","101.916","0.002","90","","2033.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 -","- C25.91 H25.775 N2 O1.955 -","- C103.64 H103.1 N8 O7.82 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0938","0.0543","","","0.1121","0.1258","","","","","","1.03","","","","has coordinates,has disorder","154679","2020-10-21","18:00:00",""
"4031326","8.1742","0.0011","9.0503","0.0012","15.703","0.002","85.672","0.006","75.381","0.006","74.812","0.006","1084.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 F2 N2 O2 -","- C27 H26 F2 N2 O2 -","- C54 H52 F4 N4 O4 -","2","2","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0662","0.0648","","","0.1744","0.1764","","","","","","1.1","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031327","8.7419","0.0005","14.4943","0.0008","18.8475","0.0011","90","","99.519","0.002","90","","2355.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F6 N2 O2 -","- C27 H22 F6 N2 O2 -","- C108 H88 F24 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.031","0.03","","","0.0749","0.0762","","","","","","1.066","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031328","8.2724","0.0008","30.084","0.003","8.9736","0.0009","90","","103.993","0.003","90","","2167","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O2 -","- C27 H28 N2 O2 -","- C108 H112 N8 O8 -","4","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","0.71073","MoKα","","0.0366","0.0349","","","0.0902","0.0918","","","","","","1.038","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031329","7.1474","0.0004","9.7769","0.0005","10.0809","0.0006","67.2457","0.0017","86.5387","0.0019","78.9053","0.0018","637.4","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H7 Br F6 O2 -","- C11 H7 Br F6 O2 -","- C22 H14 Br2 F12 O4 -","2","1","","Ams, Mark R.; Fields, Michael; Grabnic, Timothy; Janesko, Benjamin G.; Zeller, Matthias; Sheridan, Rose; Shay, Amanda","Unraveling the Role of Alkyl F on CH-π Interactions and Uncovering the Tipping Point for Fluorophobicity.","The Journal of organic chemistry","2015","80","15","7764","7769","10.1021/acs.joc.5b01072","","","1.54178","CuKα","","0.0353","0.0348","","","0.0903","0.0906","","","","","","1.138","","","","has coordinates","154679","2020-10-21","18:00:00",""
"4031330","12.1076","0.0002","9.1845","0.0002","11.6826","0.0002","90","","96.033","0.0012","90","","1291.94","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tharra, Prabhakararao; Baire, Beeraiah","Mild Approach to 2-Acylfurans via Intercepted Meyer-Schuster Rearrangement of 6-Hydroxyhex-2-en-4-ynals.","The Journal of organic chemistry","2015","80","16","8314","8328","10.1021/acs.joc.5b01420","","","0.71073","MoKα","","0.051","0.0438","","","0.1146","0.122","","","","","","1.024","","","","has coordinates","154698","2020-10-21","18:00:00",""
"4031331","7.20516","0.00013","10.1306","0.0002","19.4721","0.0003","90","","90","","90","","1421.32","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Wauters, I.; Goossens, H.; Delbeke, E.; Muylaert, K.; Roman, B. I.; Van Hecke, K.; Van Speybroeck, V.; Stevens, C. V.","Beyond the Diketopiperazine Family with Alternatively Bridged Brevianamide F Analogues.","The Journal of organic chemistry","2015","80","16","8046","8054","10.1021/acs.joc.5b01161","","","1.5418","CuKα","","0.0286","0.0273","","","0.0705","0.0716","","","","","","1.032","","","","has coordinates","154704","2020-10-21","18:00:00",""
"4031332","15.3163","0.0006","10.7987","0.0004","24.928","0.0012","90","","90","","90","","4123","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Fe O3 -","- C25 H26 Fe O3 -","- C200 H208 Fe8 O24 -","8","1","","He, Congfa; Wang, Jie; Gu, Zhenhua","BF3·OEt2-Promoted Synthesis of 2,3-Metallocenocyclohexanones: A 1,2-Hydride Shift and Cationic Cyclization Strategy.","The Journal of organic chemistry","2015","80","16","7865","7875","10.1021/acs.joc.5b01511","","","0.71073","MoKα","","0.0768","0.0435","","","0.1164","0.1449","","","","","","1.063","","","","has coordinates","154699","2020-10-21","18:00:00",""
"4031333","8.4016","0.0005","9.9253","0.0006","10.5431","0.0007","90","","97.2928","0.0009","90","","872.06","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.0407","0.0368","","","0.0868","0.09","","","","","","1.03","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031334","8.5648","0.0004","9.8551","0.0005","11.1777","0.0005","90","","98.4207","0.0007","90","","933.3","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O -","- C24 H23 N O -","- C48 H46 N2 O2 -","2","1","","Bulman Page, Philip C.; Pearce, Christopher A.; Chan, Yohan; Parker, Phillip; Buckley, Benjamin R.; Rassias, Gerasimos A.; Elsegood, Mark R. J.","Atropo- and Diastereoselective Construction of Tetracyclic Biphenylazepinium Salts Derived from Aminoalcohols: Use as Catalysts in Enantioselective Asymmetric Epoxidation.","The Journal of organic chemistry","2015","80","16","8036","8045","10.1021/acs.joc.5b01157","","","0.71073","MoKα","","0.049","0.0442","","","0.1144","0.1185","","","","","","1.082","","","","has coordinates","154700","2020-10-21","18:00:00",""
"4031335","17.079","0.004","9.87","0.002","23.448","0.006","90","","109.51","0.03","90","","3725.7","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 S -","- C22 H19 N3 S -","- C176 H152 N24 S8 -","8","1","","Sun, Jun; Qiu, Jiang-Kai; Zhu, Yi-Long; Guo, Cheng; Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang","Metal-Free Iodine-Catalyzed Synthesis of Fully Substituted Pyrazoles and Its Sulphenylation.","The Journal of organic chemistry","2015","80","16","8217","8224","10.1021/acs.joc.5b01280","","","0.71073","MoKα","","0.2014","0.0747","","","0.0906","0.1334","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031336","15.3818","0.0004","6.9603","0.0002","15.6549","0.0004","90","","119.293","0.001","90","","1461.73","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dibromo-4-(2,4-dinitrostyryl)phenol","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0448","0.0279","","","0.0624","0.0682","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031337","17.2796","0.0004","7.1834","0.0002","14.5636","0.0003","90","","94.517","0.001","90","","1802.11","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-dichloro-4-(2,4-dinitrostyryl)phenol","","- C17 H14 Cl2 N2 O6 -","- C17 H14 Cl2 N2 O6 -","- C68 H56 Cl8 N8 O24 -","4","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.042","0.0341","","","0.092","0.0989","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031338","6.9348","0.0002","7.8591","0.0002","15.3115","0.0003","81.896","0.001","77.827","0.001","64.116","0.001","732.76","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-6,-dimehyl-4-(2,4-dinitrostyryl)phenol","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Stock, Rafaela I.; Nandi, Leandro G.; Nicoleti, Celso R.; Schramm, Adriana D. S.; Meller, Sheila L.; Heying, Renata S.; Coimbra, Daniel F.; Andriani, Karla F.; Caramori, Giovanni F.; Bortoluzzi, Adailton J.; Machado, Vanderlei G.","Synthesis and Solvatochromism of Substituted 4-(Nitrostyryl)phenolate Dyes.","The Journal of organic chemistry","2015","80","16","7971","7983","10.1021/acs.joc.5b00983","","","0.71073","MoKα","","0.0715","0.0561","","","0.1736","0.1918","","","","","","1.068","","","","has coordinates","154697","2020-10-21","18:00:00",""
"4031339","5.839","0.0011","7.548","0.0014","24.921","0.005","90","","90","","90","","1098.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Zhang, Lijun; Tu, Bing; Ge, Min; Li, Yimei; Chen, Liangyu; Wang, Wei; Zhou, Shuangliu","Asymmetric Addition of Pyridyl Aluminum Reagents to Aldehydes Catalyzed by a Titanium(IV) Catalytic System of (R)-H8-BINOLate.","The Journal of organic chemistry","2015","80","16","8307","8313","10.1021/acs.joc.5b01410","","","0.71073","MoKα","","0.0614","0.0404","","","0.0999","0.1087","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031340","22.518","0.005","6.2369","0.0011","21.082","0.005","90","","109.938","0.007","90","","2783.3","1","267.5","","267.5","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C152 H96 O24 -","8","1","","Kang, Byungsoo; Lee, Min Hyung; Kim, Mijung; Hwang, Jungwoon; Kim, Hyeong Baik; Chi, Dae Yoon","Transition-Metal-Free Synthesis of 2-Substituted Methyl Benzo[b]furan-3-carboxylates.","The Journal of organic chemistry","2015","80","16","8254","8261","10.1021/acs.joc.5b01311","","","0.71073","MoKα","","0.0694","0.0426","","","0.0917","0.1038","","","","","","1.051","","","","has coordinates","154705","2020-10-21","18:00:00",""
"4031341","17.2205","0.0017","14.5659","0.0013","12.0921","0.0011","90","","116.552","0.002","90","","2713.2","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Wang, Jian-Jun; Feng, Xian; Xun, Zhan; Shi, Da-Qing; Huang, Zhi-Bin","Multicomponent Strategy to Pyrazolo[3,4-e]indolizine Derivatives under Microwave Irradiation.","The Journal of organic chemistry","2015","80","16","8435","8442","10.1021/acs.joc.5b01314","","","0.71073","MoKα","","0.1534","0.0768","","","0.1879","0.218","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031342","15.3429","0.0008","6.5112","0.0004","18.447","0.0009","90","","104.72","0.005","90","","1782.38","0.17","150.02","0.1","150.02","0.1","","","","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","PhBTP","2,6-bis(6-phenyl-1,2,4-triazin-3-yl)pyridine","","- C23 H15 N7 -","- C23 H15 N7 -","- C92 H60 N28 -","4","0.5","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.0571","0.0445","","","0.1136","0.1225","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031343","26.786","0.003","6.1087","0.0005","32.53","0.004","90","","97.922","0.01","90","","5272","1","150.03","0.1","150.03","0.1","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","PhBTPhen","2,9-bis(6-phenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline","","- C33 H25 N9 O -","- C33 H25 N8.922 O -","- C264 H200 N71.376 O8 -","8","1","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","0.71073","MoKα","","0.1463","0.1048","","","0.2177","0.2377","","","","","","1.183","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031344","8.2989","0.0004","10.3062","0.0005","10.3246","0.0005","72.166","0.005","86.199","0.004","73.29","0.004","804.9","0.07","100","2","100","2","","","","","","","synthesis","4","P -1","-P 1","2","E-INPH","(1E,2E)-2-hydrazono-1-phenylethanone oxime","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","2","","Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.","Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.","The Journal of organic chemistry","2015","80","17","8684","8693","10.1021/acs.joc.5b01380","","x-ray","1.54184","CuKα","","0.0443","0.0388","","","0.1045","0.1101","","","","","","1.046","","","","has coordinates","154712","2020-10-21","18:00:00",""
"4031345","8.6796","0.0008","9.6049","0.0009","10.2306","0.0009","64.897","0.001","77.044","0.001","70.121","0.001","723.1","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H0 I -","- C20 H13 I -","- C40 H26 I2 -","2","1","","Pati, Kamalkishore; Michas, Christopher; Allenger, David; Piskun, Ilya; Coutros, Peter S.; Gomes, Gabriel Dos Passos; Alabugin, Igor V.","Synthesis of Functionalized Phenanthrenes via Regioselective Oxidative Radical Cyclization.","The Journal of organic chemistry","2015","80","23","11706","11717","10.1021/acs.joc.5b01014","","","0.71073","MoKα","","0.02","0.0192","","","0.0499","0.0504","","","","","","1.067","","","","has coordinates","170819","2020-10-21","18:00:00",""
"4031346","8.9434","0.0003","14.4008","0.0004","12.7837","0.0004","90","","93.624","0.002","90","","1643.15","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","2","","You, Yong; Wu, Zhi-Jun; Wang, Zhen-Hua; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective Synthesis of 3,3-Disubstituted Oxindoles Bearing Two Different Heteroatoms at the C3 Position by Organocatalyzed Sulfenylation and Selenenylation of 3-Pyrrolyl-oxindoles.","The Journal of organic chemistry","2015","80","16","8470","8477","10.1021/acs.joc.5b01491","","","0.71073","MoKα","","0.046","0.0367","","","0.0825","0.0878","","","","","","1.024","","","","has coordinates","154696","2020-10-21","18:00:00",""
"4031347","6.0708","0.0003","16.5232","0.001","15.1156","0.0009","90","","95.019","0.002","90","","1510.42","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B F4 N -","- C17 H16 B F4 N -","- C68 H64 B4 F16 N4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0775","0.047","","","0.1068","0.1229","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031348","12.5113","0.0008","7.8864","0.0005","16.105","0.001","90","","102.199","0.0017","90","","1553.19","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F4 N O -","- C17 H16 B F4 N O -","- C68 H64 B4 F16 N4 O4 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.065","0.0512","","","0.1119","0.1193","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031349","14.1238","0.0006","7.9707","0.0004","15.8261","0.0007","90","","109.116","0.0013","90","","1683.4","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F4 N2 -","- C19 H17 B F4 N2 -","- C76 H68 B4 F16 N8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0524","0.0355","","","0.0809","0.0884","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031350","7.6174","0.0004","8.8763","0.0005","15.4323","0.0007","90","","117.703","0.002","90","","923.83","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H21 B F4 N2 -","- C21 H21 B F4 N2 -","- C42 H42 B2 F8 N4 -","2","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.033","0.0308","","","0.0779","0.0798","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031351","9.3452","0.0006","8.5145","0.0005","16.845","0.0011","90","","105.795","0.0019","90","","1289.74","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Follet, Elsa; Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Structure and Reactivity of Indolylmethylium Ions: Scope and Limitations in Synthetic Applications.","The Journal of organic chemistry","2015","80","17","8643","8656","10.1021/acs.joc.5b01298","","","0.71073","MoKα","","0.0534","0.0413","","","0.1045","0.1127","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031354","9.6233","0.0007","10.8425","0.0005","14.8348","0.0011","70.176","0.005","72.274","0.006","76.538","0.005","1372.44","0.17","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 Si3 -","- C28 H36 Si3 -","- C56 H72 Si6 -","2","1","","Wei, Baosheng; Li, Heng; Yin, Jianhao; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Dilithio Reagents with PhSiH3: Formation of Siloles and 3-Silacyclopentenes.","The Journal of organic chemistry","2015","80","17","8758","8762","10.1021/acs.joc.5b01595","","","0.71073","MoKα","","0.0748","0.0478","","","0.1065","0.1231","","","","","","1.04","","","","has coordinates","154713","2020-10-21","18:00:00",""
"4031355","8.7839","0.0005","9.3731","0.0006","13.6419","0.001","90","","107.534","0.002","90","","1070.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O -","- C14 H16 O -","- C56 H64 O4 -","4","1","","Wang, Junpeng; Kouznetsova, Tatiana B.; Niu, Zhenbin; Rheingold, Arnold L.; Craig, Stephen L.","Accelerating a Mechanically Driven anti-Woodward-Hoffmann Ring Opening with a Polymer Lever Arm Effect.","The Journal of organic chemistry","2015","80","23","11895","11898","10.1021/acs.joc.5b01465","","","0.71073","MoKα","","0.0927","0.0655","","","0.1643","0.1828","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031356","9.766","0.005","9.766","0.005","51.01","0.02","90","","90","","90","","4865","4","273","2","273","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C208 H216 N8 O40 -","8","1","","Zheng, Jianfeng; Lin, Lili; Fu, Kai; Zheng, Haifeng; Liu, Xiaohua; Feng, Xiaoming","Synthesis of Optically Pure Spiro[cyclohexane-oxindoline] Derivatives via Catalytic Asymmetric Diels-Alder Reaction of Brassard-Type Diene with Methyleneindolines.","The Journal of organic chemistry","2015","80","17","8836","8842","10.1021/acs.joc.5b01318","","","0.71073","MoKα","","0.0955","0.0635","","","0.1669","0.1886","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031357","12.797","0.003","7.8816","0.0016","15.067","0.003","90","","100.95","0.03","90","","1492","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Li, Jianxiao; Wu, Wanqing","Cu-Catalyzed Three-Component Cascade Annulation Reaction: An Entry to Functionalized Pyridines.","The Journal of organic chemistry","2015","80","17","8763","8771","10.1021/acs.joc.5b01621","","","0.71073","MoKα","","0.0697","0.043","","","0.1264","0.1709","","","","","","1.049","","","","has coordinates","154714","2020-10-21","18:00:00",""
"4031358","16.798","0.013","7.072","0.005","9.043","0.007","90","","90","","90","","1074.3","1.4","125","","125","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C24 H16 B4 F36 N8 S4 -","4","0.5","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.0806","","","","0.2938","","","","","","1.328","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031359","10.8224","0.0019","17.875","0.003","34.803","0.006","90","","90","","90","","6733","2","125","","125","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C144 H96 B24 F216 N48 S24 -","24","3","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.1339","","","","0.2412","","","","","","1.345","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031360","17.0691","0.0013","7.8183","0.0004","20.8356","0.0016","90","0.0007","112.602","0.0008","90","0.0007","2567","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 N4 O -","- C33 H28 N4 O -","- C132 H112 N16 O4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0551","0.053","","","0.1574","0.1596","","","","","","1.151","","","","has coordinates","160548","2020-10-21","18:00:00",""
"4031361","10.8505","0.0008","23.1924","0.0011","13.1895","0.0009","90","0.0007","100.181","0.0007","90","0.0007","3266.9","0.4","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N4 O2 S -","- C38 H30 Cl2 N4 O2 S -","- C152 H120 Cl8 N16 O8 S4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0816","0.08","","","0.1404","0.1411","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031362","11.017","0.002","10.63","0.002","14.191","0.003","90","","94.18","0.03","90","","1657.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Wan, Jie-Ping; Cao, Shuo; Liu, Yunyun","A Metal- and Azide-Free Multicomponent Assembly toward Regioselective Construction of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2015","80","18","9028","9033","10.1021/acs.joc.5b01121","","","0.71073","MoKα","","0.0743","0.0433","","","0.1032","0.1529","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031363","18.848","0.004","25.98","0.005","10.209","0.002","90","","90","","90","","4999.1","1.7","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33.25 H25.5 Cl0.5 P -","- C33.25 H25.5 Cl0.5 P -","- C266 H204 Cl4 P8 -","8","2","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.1053","0.0796","","","0.2041","0.2199","","","","","","0.944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031364","13.703","0.002","16.085","0.003","41.003","0.007","90","","90","","90","","9038","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl2 O3 P2 Ru -","- C45 H71 Cl2 O3 P2 Ru -","- C360 H568 Cl16 O24 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0992","0.073","","","0.198","0.2295","","","","","","1.27","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031365","13.067","0.002","15.91","0.002","37.178","0.006","90","","90","","90","","7729","2","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H52 Cl2 O6 P2 Ru -","- C33 H52 Cl2 O6 P2 Ru -","- C264 H416 Cl16 O48 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0642","0.0433","","","0.0891","0.0979","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031487","6.2831","0.0003","11.0852","0.0006","21.113","0.0011","90","","92.069","0.003","90","","1469.55","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl2 N3 S -","- C14 H9 Cl2 N3 S -","- C56 H36 Cl8 N12 S4 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.088","0.0567","","","0.1652","0.1814","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031488","5.9017","0.0002","14.1916","0.0004","16.0475","0.0004","90","","92.732","0.002","90","","1342.52","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K.","Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.","The Journal of organic chemistry","2015","80","18","9016","9027","10.1021/acs.joc.5b00956","","","0.71073","MoKα","","0.0653","0.0454","","","0.1489","0.1631","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031489","14.36","0.003","14.521","0.003","18.49","0.004","96.865","0.006","102.787","0.006","103.857","0.005","3589.4","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C145.43 H137.07 Cl17.36 N18 O3.21 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","- C145.428 H137.07 Cl17.358 N18 O3.214 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.71073","MoKα","","0.2515","0.099","","","0.1919","0.2415","","","","","","1.006","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031490","14.171","0.003","14.945","0.003","17.378","0.003","93.35","0.03","111.87","0.03","115.3","0.03","2982.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","- C117.72 H89.72 Cl17.16 N18 Zn2 -","1","0.5","","Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng","Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.","The Journal of organic chemistry","2015","80","18","9360","9364","10.1021/acs.joc.5b01781","","","0.72","synchrotron","","0.1113","0.0819","","","0.2381","0.2696","","","","","","1.047","","","","has coordinates,has disorder","160549","2020-10-21","18:00:00",""
"4031504","8.7135","0.0003","13.2562","0.0004","14.5624","0.0005","90","","105.533","0.004","90","","1620.64","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F3 -","- C20 H21 F3 -","- C80 H84 F12 -","4","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Acid-Promoted Reaction of Trifluoromethylated Allyl Alcohols with Arenes. Stereoselective Synthesis of CF3-Alkenes and CF3-Indanes.","The Journal of organic chemistry","2015","80","19","9506","9517","10.1021/acs.joc.5b01398","","","1.54184","CuKα","","0.0517","0.0415","","","0.0918","0.0995","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031516","12.6905","0.0003","18.5911","0.0003","14.3067","0.0004","90","","113.687","0.003","90","","3091.02","0.14","183","2","183","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl3 N2 -","- C32 H41 Cl3 N2 -","- C128 H164 Cl12 N8 -","4","1","","Grieco, Gabriele; Blacque, Olivier; Berke, Heinz","A facile synthetic route to benzimidazolium salts bearing bulky aromatic N-substituents.","Beilstein journal of organic chemistry","2015","11","","1656","1666","10.3762/bjoc.11.182","","","1.5418","CuKα","","0.085","0.0777","","","0.2073","0.2142","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031517","12.2554","0.0003","4.962","0.0001","15.2826","0.0003","90","","109.783","0.001","90","","874.51","0.03","104","2","104","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Zhang, Hanmo; Hay, E. Ben; Geib, Stephen J.; Curran, Dennis P.","Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles and ene-sulfonamides","Beilstein Journal of Organic Chemistry","2015","11","","1649","","10.3762/bjoc.11.181","","","1.54178","CuKα","","0.0519","0.0439","","","0.1059","0.1092","","","","","","1.075","","","","has coordinates","157541","2020-10-21","18:00:00",""
"4031525","7.5626","0.0004","8.2241","0.0004","11.3238","0.0006","92.818","0.001","104.129","0.002","113.802","0.001","616.18","0.06","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C26 H22 Cl2 N4 O6 -","2","1","","Provencher, Philip A.; Love, Jennifer A.","Synthesis and Performance of a Biomimetic Indicator for Alkylating Agents.","The Journal of organic chemistry","2015","80","19","9603","9609","10.1021/acs.joc.5b01584","","","0.71069","MoKα","","0.0405","0.0364","","","0.095","0.0983","","","","","","1.042","","","","has coordinates","160552","2020-10-21","18:00:00",""
"4031526","9.201","0.0018","9.605","0.0019","9.688","0.0019","105.73","0.03","101.83","0.03","107.8","0.03","744.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br N2 O -","- C17 H16 Br N2 O -","- C34 H32 Br2 N4 O2 -","2","1","","Chang, Yong-Zhi; Li, Ming-Lei; Zhao, Wen-Feng; Wen, Xiaoan; Sun, Hongbin; Xu, Qing-Long","Construction of Oxadiazepines via Lewis Acid-Catalyzed Tandem 1,5-Hydride Shift/Cyclization.","The Journal of organic chemistry","2015","80","19","9620","9627","10.1021/acs.joc.5b01609","","","0.71073","MoKα","","0.1188","0.068","","","0.1493","0.1683","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031527","7.7272","0.0003","21.2361","0.0009","25.093","0.001","90","","90","","90","","4117.7","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C184 H272 O32 -","8","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0517","0.0396","","","0.1033","0.1122","","","","","","1.033","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031528","6.567","0.003","11.997","0.004","12.947","0.004","79.817","0.014","77.04","0.015","76.642","0.015","958.7","0.6","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0706","0.0491","","","0.1421","0.1707","","","","","","0.718","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031529","22.8946","0.0012","10.9943","0.0005","7.9823","0.0005","90","","95.103","0.002","90","","2001.26","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.082","0.0577","","","0.1622","0.1789","","","","","","1.048","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031532","8.5712","0.0007","9.4277","0.0008","11.6959","0.0009","102.743","0.002","93.346","0.002","96.979","0.002","911.45","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trifluormethilamide like-cumeno system","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C42 H40 F6 N2 O8 -","2","1","","Rossini, Allan F. C.; Muraca, Ana Carolina A.; Casagrande, Gleison A.; Raminelli, Cristiano","Total Syntheses of Aporphine Alkaloids via Benzyne Chemistry: An Approach to the Formation of Aporphine Cores.","The Journal of organic chemistry","2015","80","20","10033","10040","10.1021/acs.joc.5b01634","","","1.54178","CuKα","","0.0437","0.0434","","","0.1167","0.1168","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031533","22.779","0.006","12.654","0.003","18.025","0.005","90","","90.008","0.004","90","","5196","2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C15Npcage","","","- C55 H96 Si2 -","- C55 H96 Si2 -","- C220 H384 Si8 -","4","1","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.1453","0.1058","","","0.259","0.2935","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031534","13.028","0.009","18.089","0.013","25.708","0.018","74.702","0.012","83.371","0.015","89.177","0.015","5804","7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","C17Npcage","","","- C61 H108 Si2 -","- C61 H108 Si2 -","- C244 H432 Si8 -","4","2","","Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.","The Journal of organic chemistry","2015","80","20","9959","9966","10.1021/acs.joc.5b01489","","","0.71073","MoKα","","0.5361","0.1874","","","0.41","0.574","","","","","","0.885","","","","has coordinates,has disorder","170089","2020-10-21","18:00:00",""
"4031535","23.24","0.003","10.341","0.0005","16.06","0.004","90","","130.19","0.03","90","","2948.4","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F12 N10 P2 Ru -","- C20 H22 F12 N10 P2 Ru -","- C80 H88 F48 N40 P8 Ru4 -","4","0.5","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0617","0.0539","","","0.1465","0.1558","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031536","11.2914","0.0005","12.7244","0.0006","21.4357","0.0011","90","","102.469","0.004","90","","3007.2","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H20 F12 N8 P2 Ru -","- C16 H20 F12 N8 P2 Ru -","- C64 H80 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0913","0.0712","","","0.2121","0.2322","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031537","11.4695","0.0012","13.1322","0.0014","13.7721","0.0014","97.701","0.001","103.213","0.001","94.057","0.001","1990.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 F12 N9 O0 P2 Ru -","- C29 H31 F12 N9 P2 Ru -","- C58 H62 F24 N18 P4 Ru2 -","2","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0389","0.0373","","","0.0973","0.0984","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031538","9.913","0.0016","12.665","0.002","18.222","0.003","90","","90","","66.96","","2105.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 F12 N8 P3 Ru -","- C34 H35 F12 N8 P3 Ru -","- C68 H70 F24 N16 P6 Ru2 -","2","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0455","0.0418","","","0.102","0.1049","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031539","10.957","0.0008","22.2567","0.0016","16.8706","0.0011","90","","97.384","0.006","90","","4080.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H22 F12 N8 P2 Ru -","- C24 H22 F12 N8 P2 Ru -","- C96 H88 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0794","0.0604","","","0.1788","0.1904","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031540","15.5042","0.0002","13.5571","0.0002","23.441","0.0004","90","","109.255","0.001","90","","4651.49","0.12","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H15 Cl2 I -","- C30 H15 Cl2 I -","- C240 H120 Cl16 I8 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0597","0.0404","","","0.0926","0.1011","","","","","","1.027","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031541","11.6133","0.0003","12.2509","0.0003","12.4055","0.0003","85.569","0.001","76.759","0.001","71.624","0.001","1630.42","0.07","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P -1","-P 1","2","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0556","0.0439","","","0.109","0.1169","","","","","","1.035","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031542","9.0476","0.0004","11.7771","0.0006","13.5039","0.0007","94.119","0.002","102.219","0.0019","111.081","0.0018","1294.8","0.11","150","2","150","2","","","","","","","synthesized by dr. Jiri Kaleta","4","P -1","-P 1","2","","","","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","- C60 H46 Cl4 Si2 -","1","0.5","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.049","0.0451","","","0.1149","0.1181","","","","","","1.029","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031543","9.9671","0.0008","13.0196","0.0013","17.0747","0.0014","90","","104.557","0.004","90","","2144.6","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H17 Br -","- C30 H17 Br -","- C120 H68 Br4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0475","0.031","","","0.0629","0.0676","","","","","","1.02","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031544","13.3977","0.0008","25.4142","0.0017","8.1013","0.0006","90","","96.447","0.003","90","","2741","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0969","0.0618","","","0.1552","0.1799","","","","","","1.033","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031545","8.9567","0.0003","11.8107","0.0004","22.4244","0.0008","98.4355","0.0015","90.6462","0.0015","90.2978","0.0015","2346.29","0.14","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C23 H14 O -","- C23 H13.6667 O -","- C138 H82 O6 -","6","3","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.1019","0.0911","","","0.2009","0.2057","","","","","","1.181","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031546","15.8116","0.0007","19.4172","0.001","13.1694","0.0006","90","","112.85","0.002","90","","3725.9","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Br2 -","- C24 H14 Br2 -","- C192 H112 Br16 -","8","2","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0628","0.0367","","","0.0725","0.0795","","","","","","1.019","","","","has coordinates","170092","2020-10-21","18:00:00",""
"4031547","15.7725","0.001","20.2392","0.0013","8.0195","0.0005","90","","93.758","0.003","90","","2554.5","0.3","150","2","150","2","","","","","","","synthesized by Dr. Jiri Kaleta","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Br2 Si -","- C29 H22 Br2 Si -","- C116 H88 Br8 Si4 -","4","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.71073","MoKα","","0.0754","0.0502","","","0.129","0.1407","","","","","","1.058","","","","has coordinates,has disorder","170092","2020-10-21","18:00:00",""
"4031548","8.1007","0.0007","15.4383","0.0014","22.617","0.002","97.056","0.007","92.982","0.006","100.618","0.007","2750.9","0.4","100","2","100","2","","","","","","","synthesized by Dr. Jiri Kaleta","3","P -1","-P 1","2","","","","- C71.5 H60 O5 -","- C71.5 H60 O5 -","- C143 H120 O10 -","2","1","","Kaleta, Jiří; Kaletová, Eva; Císařová, Ivana; Teat, Simon J.; Michl, Josef","Synthesis of Triptycene-Based Molecular Rotors for Langmuir-Blodgett Monolayers.","The Journal of organic chemistry","2015","80","20","10134","10150","10.1021/acs.joc.5b01753","","","0.7749","synchrotron","","0.1384","0.096","","","0.2689","0.303","","","","","","1.124","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4031554","9.6378","0.0005","10.0839","0.0005","10.0864","0.0005","90.206","0.004","103.919","0.003","115.144","0.003","855.05","0.08","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0465","","","","0.1223","","","","","","1.047","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031555","7.012","0.0002","9.5343","0.0003","21.2709","0.0008","90","","93.439","0.003","90","","1419.49","0.08","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0449","","","","0.1191","","","","","","1.094","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031556","5.8068","0.0003","9.2151","0.0004","16.0074","0.0006","98.259","0.003","92.438","0.003","92.623","0.003","845.74","0.07","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","","Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa","General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.","The Journal of organic chemistry","2015","80","20","10317","10333","10.1021/acs.joc.5b01954","","","1.54187","CuKα","","","0.0624","","","","0.218","","","","","","1.142","","","","has coordinates","170093","2020-10-21","18:00:00",""
"4031559","6.181","0.004","7.296","0.004","14.295","0.009","104.493","0.019","92.4","0.03","101.853","0.019","607.9","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Xing, Linlin; Li, Chunbao","Stereoselective Chlorination and Bromination of Enamides and Enamines via an Electrostatic Attraction Effect Using (1,1-Diacetoxyiodo)benzene and a Halide Source.","The Journal of organic chemistry","2015","80","20","10000","10008","10.1021/acs.joc.5b01603","","","0.71073","MoKα","","0.0596","0.0482","","","0.1389","0.1494","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031560","10.4443","0.0004","17.7411","0.0008","12.8612","0.0007","90","","92.33","0.004","90","","2381.12","0.19","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Zhu, Yu-Qin; Dong, Lin","One-Pot Synthesis of Polysubstituted Spirofluorene-Indene via Ru(II)-Catalyzed [3 + 2] Annulation and Intramolecular Friedel-Crafts Cyclization.","The Journal of organic chemistry","2015","80","20","9973","9979","10.1021/acs.joc.5b01517","","","0.71073","MoKα","","0.0687","0.0457","","","0.104","0.1187","","","","","","1.036","","","","has coordinates","170094","2020-10-21","18:00:00",""
"4031615","11.7583","0.0008","12.9661","0.0008","13.8658","0.0009","101.971","0.003","93.135","0.004","116.661","0.003","1821.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H0 N O S -","- C23 N O S -","- C92 N4 O4 S4 -","4","2","","Tang, Jiaming; Xu, Bingqing; Mao, Xi; Yang, Hongyan; Wang, Xiaoxia; Lv, Xin","One-Pot Synthesis of Pyrrolo[3,2,1-kl]phenothiazines through Copper-Catalyzed Tandem Coupling/Double Cyclization Reaction.","The Journal of organic chemistry","2015","80","21","11108","11114","10.1021/acs.joc.5b01745","","","0.71073","MoKα","","0.2071","0.172","","","0.3781","0.3915","","","","","","1.267","","","","has coordinates","170816","2020-10-21","18:00:00",""
"4031702","10.0335","0.0009","12.8124","0.0012","15.7773","0.0014","91.419","0.004","106.952","0.004","91.256","0.004","1938.6","0.3","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H47 O9 -","- C46 H47 O9 -","- C92 H94 O18 -","2","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.0927","0.0589","","","0.1624","0.1838","","","","","","1.053","","","","has coordinates,has disorder","170815","2020-10-21","18:00:00",""
"4031703","16.4146","0.001","7.1564","0.0005","21.2383","0.0013","90","","102.908","0.003","90","","2431.8","0.3","150","2","150.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O9 -","- C28 H34 O9 -","- C112 H136 O36 -","4","1","","Hong, Kenneth K. C.; Ball, Graham E.; Black, David StC; Kumar, Naresh","The Mosaic of Rottlerin.","The Journal of organic chemistry","2015","80","21","10668","10674","10.1021/acs.joc.5b01827","","","0.71073","MoKα","","0.06","0.0443","","","0.1192","0.1317","","","","","","1.044","","","","has coordinates","170815","2020-10-21","18:00:00",""
"4031711","32.848","0.002","9.4827","0.0002","9.8663","0.0002","90","","90","","90","","3073.2","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Cu N4 O6 -","- C32 H34 Cu N4 O6 -","- C128 H136 Cu4 N16 O24 -","4","1","","Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc","Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.","Beilstein journal of organic chemistry","2015","11","","1950","1959","10.3762/bjoc.11.211","","","1.54187","CuKα","","0.0595","0.0553","","","0.1516","0.1566","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031712","8.3624","0.0002","13.5055","0.0003","14.8586","0.001","76.556","0.005","82.642","0.006","85.677","0.006","1616.87","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 Cu O8 -","- C36 H34 Cu O8 -","- C72 H68 Cu2 O16 -","2","1","","Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc","Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.","Beilstein journal of organic chemistry","2015","11","","1950","1959","10.3762/bjoc.11.211","","","1.54187","CuKα","","0.057","0.0478","","","0.1283","0.1595","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031713","21.032","0.003","29.029","0.005","21.783","0.003","90","","93.949","0.003","90","","13268","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C46.5 H42.5 Cl7.5 S14 Si5 -","- C372 H340 Cl60 S112 Si40 -","8","2","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.2095","0.0925","","","0.1852","0.2344","","","","","","1.113","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031714","11.792","0.005","13.295","0.005","44.329","0.018","90","","90","","90","","6950","5","296","2","296.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C51.3 H47.3 Cl21.9 S14 Si5 -","- C44 H40 S14 Si5 -","- C88 H80 S28 Si10 -","2","0.25","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.118","0.0877","","","0.2543","0.2685","","","","","","1.027","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4031715","12.846","0.005","10.521","0.004","20.355","0.007","90","","103.438","0.006","90","","2675.7","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 S7 Si2 -","- C22 H22 S7 Si2 -","- C88 H88 S28 Si8 -","4","1","","Li, Chunli; Wu, Longlong; Xu, Wan; Song, Jinsheng; Shi, Jianwu; Yu, Panpan; Kan, Yuhe; Wang, Hua","Silicon Spiro Double Helicene-like Compounds Based on Dithieno[2,3-b:3',2'-d]thiophene: Syntheses and Crystal Structures.","The Journal of organic chemistry","2015","80","21","11156","11161","10.1021/acs.joc.5b01910","","","0.71073","MoKα","","0.0516","0.0371","","","0.108","0.124","","","","","","0.822","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031716","6.0282","0.0003","14.1182","0.0006","18.3287","0.0013","90","","90","","90","","1559.91","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N2 O3 S -","- C13 H24 N2 O3 S -","- C52 H96 N8 O12 S4 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","0.71073","MoKα","","0.026","0.0257","","","0.0664","0.0667","","","","","","1.03","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031717","6.0165","0.0005","26.965","0.002","10.5795","0.0009","90","","95.344","0.003","90","","1708.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N2 O3 -","- C17 H23 N2 O3 -","- C68 H92 N8 O12 -","4","2","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0412","0.0373","","","0.0944","0.0975","","","","","","1.04","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031718","9.2507","0.0013","9.5787","0.0012","17.633","0.002","90","","90","","90","","1562.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N2 O3 -","- C14 H25 N2 O3 -","- C56 H100 N8 O12 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0705","0.0644","","","0.1805","0.1904","","","","","","1.036","","","","has coordinates,has disorder","170817","2020-10-21","18:00:00",""
"4031719","9.713","0.0002","9.7647","0.0002","16.4938","0.0003","90","","94.827","0.001","90","","1558.8","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.0642","0.0425","","","0.0931","0.1033","","","","","","1.06","","","","has coordinates","170818","2020-10-21","18:00:00",""
"4031720","11.5436","0.0004","9.1664","0.0003","14.9308","0.0005","90","","94.259","0.002","90","","1575.51","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Wang, Chun-Chieh; Ku, Yi-Chen; Chuang, Gary Jing","Photoinduced Decarbonylative Rearrangement of Bicyclo[2.2.2]Octenones: Synthesis of the Marasmane Skeleton.","The Journal of organic chemistry","2015","80","21","10979","10991","10.1021/acs.joc.5b02140","","","0.71073","MoKα","","0.1115","0.054","","","0.1306","0.1585","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4031721","14.4632","0.0006","10.7632","0.0005","14.5754","0.0006","90","","105.357","0.0013","90","","2187.94","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 O2 P S -","- C24 H27 O2 P S -","- C96 H108 O8 P4 S4 -","4","1","","Malysheva, Svetlana F.; Artem'ev, Alexander V.; Gusarova, Nina K.; Belogorlova, Nataliya A.; Albanov, Alexander I.; Liu, C. W.; Trofimov, Boris A.","Aerobic addition of secondary phosphine oxides to vinyl sulfides: a shortcut to 1-hydroxy-2-(organosulfanyl)ethyl(diorganyl)phosphine oxides.","Beilstein journal of organic chemistry","2015","11","","1985","1990","10.3762/bjoc.11.214","","","0.71073","MoKα","","0.0901","0.0448","","","0.084","0.1002","","","","","","1.009","","","","has coordinates","173614","2020-10-21","18:00:00",""
"4031722","14.661","0.003","8.186","0.0012","12.112","0.002","90","","108.7","0.02","90","","1376.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Kumar, Sonu; Cruz-Hernández, Carlos; Pal, Shilpi; Saunthwal, Rakesh K.; Patel, Monika; Tiwari, Rakesh K.; Juaristi, Eusebio; Verma, Akhilesh K.","Tandem Approach to Benzothieno- and Benzofuropyridines from o-Alkynyl Aldehydes via Silver-Catalyzed 6-endo-dig Ring Closure.","The Journal of organic chemistry","2015","","","","","10.1021/acs.joc.5b01647","","","0.71073","MoKα","","0.104","0.0669","","","0.1522","0.1757","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031723","8.749","0.005","10.924","0.006","11.952","0.007","104.251","0.01","92.232","0.01","101.63","0.01","1079.7","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.1515","0.0843","","","0.2167","0.2647","","","","","","1.015","","","","has coordinates,has disorder","170812","2020-10-21","18:00:00",""
"4031724","8.4979","0.0006","12.5318","0.0009","24.3558","0.0017","90","","99.218","0.002","90","","2560.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl N2 O5 -","- C27 H31 Cl N2 O5 -","- C108 H124 Cl4 N8 O20 -","4","1","","Miranda, Luis D.; Hernández-Vázquez, Eduardo","Multicomponent/Palladium-Catalyzed Cascade Entry to Benzopyrrolizidine Derivatives: Synthesis and Antioxidant Evaluation.","The Journal of organic chemistry","2015","80","21","10611","10623","10.1021/acs.joc.5b01742","","","0.71073","MoKα","","0.0855","0.0534","","","0.1283","0.1483","","","","","","1.029","","","","has coordinates","170812","2020-10-21","18:00:00",""
"4031725","10.0744","0.0003","10.4491","0.0003","21.6791","0.0006","90","","95.102","0.002","90","","2273.08","0.11","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 S -","- C26 H21 Cl N2 O2 S -","- C104 H84 Cl4 N8 O8 S4 -","4","2","","Zeng, Xue-Mei; Meng, Chang-Yu; Bao, Jia-Xin; Xu, Dong-Cheng; Xie, Jian-Wu; Zhu, Wei-Dong","Enantioselective Construction of Polyfunctionalized Spiroannulated Dihydrothiophenes via a Formal Thio [3+2] Cyclization.","The Journal of organic chemistry","2015","80","22","11521","11528","10.1021/acs.joc.5b01357","","","0.71073","MoKα","","0.0487","0.0393","","","0.0867","0.0924","","","","","","1.071","","","","has coordinates","170810","2020-10-21","18:00:00",""
"4031726","6.6061","0.0018","8.907","0.002","13.587","0.004","92.376","0.007","91.617","0.007","100.58","0.007","784.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.1924","0.0636","","","0.1958","0.2535","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031727","6.0713","0.0016","12.715","0.003","22.502","0.006","90","","90","","90","","1737.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2574","0.0745","","","0.1508","0.237","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031728","5.807","0.005","14.774","0.005","20.829","0.005","90","","90","","90","","1787","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2035","0.0748","","","0.1802","0.2628","","","","","","0.881","","","","has coordinates","170813","2020-10-21","18:00:00",""
"4031729","9.009","0.003","14.683","0.005","15.413","0.005","84.335","0.01","78.411","0.01","80.118","0.01","1963.3","1.1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H37 N5 O2 -","- C51 H37 N5 O2 -","- C102 H74 N10 O4 -","2","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1076","0.0795","","","0.1524","0.1679","","","","","","1.126","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031730","16.93","0.003","16.114","0.003","20.594","0.004","90","","114.06","0.03","90","","5130","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 N3 O2 -","- C59 H55 N3 O2 -","- C236 H220 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1467","0.1194","","","0.301","0.3404","","","","","","1.863","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031731","16.874","0.003","11.312","0.002","23.571","0.005","90","","97.27","0.03","90","","4463","1.5","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 N3 O3 -","- C56 H51 N3 O3 -","- C224 H204 N12 O12 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.1294","0.0946","","","0.235","0.2534","","","","","","1.153","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031732","8.753","0.0018","14.773","0.003","28.489","0.006","90","","90","","90","","3683.9","1.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H33 Cl2 N3 O2 -","- C48 H33 Cl2 N3 O2 -","- C192 H132 Cl8 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.087","0.0746","","","0.1445","0.1532","","","","","","1.125","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031733","9.3576","0.0019","39.56","0.008","11.254","0.002","90","","99.55","0.03","90","","4108.3","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 N4 O2 -","- C53 H42 N4 O2 -","- C212 H168 N16 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.0879","0.077","","","0.1371","0.1425","","","","","","1.231","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031734","11.3075","0.0002","23.9449","0.0003","11.5539","0.0002","90","","111.656","0.002","90","","2907.49","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 N2 O4 Si2 -","- C64 H78 N2 O4 Si2 -","- C128 H156 N4 O8 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","1.54178","CuKα","","0.073","0.0598","","","0.1817","0.1995","","","","","","1.044","","","","has coordinates,has disorder","170809","2020-10-21","18:00:00",""
"4031735","9.9916","0.0006","15.6617","0.0009","18.6841","0.0011","67.994","0.002","85.859","0.002","89.203","0.002","2703.4","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H52 N4 O4 -","- C72 H52 N4 O4 -","- C144 H104 N8 O8 -","2","1","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0949","0.0563","","","0.1321","0.149","","","","","","1.032","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031736","7.578","0.0005","9.1129","0.0006","9.9879","0.0007","114.28","0.002","94.306","0.002","95.903","0.002","620.13","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","- C24 H26 Br2 Si2 -","1","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0363","","","0.0784","0.0887","","","","","","1.015","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031737","10.5232","0.0005","8.0808","0.0004","20.885","0.0011","90","","102.194","0.002","90","","1735.9","0.15","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Br2 Si2 -","- C36 H50 Br2 Si2 -","- C72 H100 Br4 Si4 -","2","0.5","","Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.","Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.","The Journal of organic chemistry","2015","80","22","11501","11512","10.1021/acs.joc.5b02240","","x-ray","0.71073","MoKα","","0.0515","0.0339","","","0.0711","0.0764","","","","","","1.039","","","","has coordinates","170809","2020-10-21","18:00:00",""
"4031738","16.8926","0.0009","13.6464","0.0007","19.4813","0.0011","90","","107.626","0.002","90","","4280.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 Cl3 N4 O3 V -","- C51 H47 Cl3 N4 O3 V -","- C204 H188 Cl12 N16 O12 V4 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.063","0.0456","","","0.1109","0.1214","","","","","","1.028","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031739","21.9867","0.0011","14.2038","0.0007","15.3868","0.0008","90","","120.622","0.002","90","","4135.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cl In N4 O2 -","- C50 H46 Cl In N4 O2 -","- C200 H184 Cl4 In4 N16 O8 -","4","0.5","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Monomeric Chiral and Achiral Basket-Handle Porphyrins: Synthesis, Structural Features, and Arrested Tautomerism.","The Journal of organic chemistry","2015","80","24","12359","12378","10.1021/acs.joc.5b02259","","","0.71073","MoKα","","0.0272","0.0242","","","0.0613","0.0631","","","","","","1.06","","","","has coordinates","173586","2020-10-21","18:00:00",""
"4031740","14.9685","0.0003","18.6756","0.0003","20.5316","0.0003","90","","90","","90","","5739.52","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 O2 P2 S -","- C30 H30 F6 O2 P2 S -","- C240 H240 F48 O16 P16 S8 -","8","1","","Hampton, Carissa S.; Harmata, Michael","Mechanistic Aspects of the Phosphine-Catalyzed Isomerization of Allenic Sulfones to 2-Arylsulfonyl 1,3-Dienes.","The Journal of organic chemistry","2015","80","24","12151","12158","10.1021/acs.joc.5b02097","","","1.54178","CuKα","","0.0284","0.0269","","","0.0719","0.073","","","","","","1.04","","","","has coordinates","173587","2020-10-21","18:00:00",""
"4031741","5.8355","0.0002","15.6172","0.0007","19.3487","0.0005","108.533","0.003","91.452","0.003","99.953","0.004","1640.63","0.11","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 F14 N4 O S4 -","- C68 H56 F14 N4 S4 -","- C68 H56 F14 N4 S4 -","1","0.5","","Langbein, Susanne; Wadepohl, Hubert; Gade, Lutz H.","Arylmercapto Substituted Tetraazaperopyrene Derivatives and Their Oxidation to Tetrasulfones: Photophysics and Electrochemistry.","The Journal of organic chemistry","2015","80","24","12620","12626","10.1021/acs.joc.5b01969","","x-ray","1.5418","CuKα","","0.079","0.0601","","","0.1627","0.1815","","","","","","1.042","","","","has coordinates","173597","2020-10-21","18:00:00",""
"4031742","16.3306","0.0003","10.2549","0.0002","11.1879","0.0002","90","","90","","90","","1873.62","0.06","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Cl N2 Ni -","- C20 H29 Cl N2 Ni -","- C80 H116 Cl4 N8 Ni4 -","4","1","","Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.","Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.","Beilstein journal of organic chemistry","2015","11","","2171","2178","10.3762/bjoc.11.235","","","0.71073","MoKα","","0.0412","0.0336","","","0.0652","0.0683","","","","","","1.021","","","","has coordinates","173613","2020-10-21","18:00:00",""
"4031743","8.5685","0.0002","13.9639","0.0003","25.1631","0.0006","90","","97.719","0.002","90","","2983.48","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl N2 Ni -","- C32 H53 Cl N2 Ni -","- C128 H212 Cl4 N8 Ni4 -","4","1","","Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.","Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.","Beilstein journal of organic chemistry","2015","11","","2171","2178","10.3762/bjoc.11.235","","","1.5418","CuKα","","0.0587","0.0427","","","0.1037","0.1145","","","","","","1.036","","","","has coordinates","173613","2020-10-21","18:00:00",""
"4031744","18.4384","0.0016","8.3568","0.0007","13.182","0.0011","90","","108.98","0.001","90","","1920.7","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Gopal Reddy, S.; Hanuman Reddy, V.; Singarapu, Kiran Kumar; Sridhar, Balasubramanian","Domino Strategy for the Stereoselective Construction of Angularly Fused Tricyclic Ethers.","The Journal of organic chemistry","2015","80","24","12580","12587","10.1021/acs.joc.5b02241","","","0.71073","MoKα","","0.065","0.0532","","","0.1372","0.1466","","","","","","1.052","","","","has coordinates","173589","2020-10-21","18:00:00",""
"4031745","13.641","0.004","13.069","0.004","10.529","0.002","90","","90","","90","","1877","0.9","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","0.5","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1654","0.0707","","","0.1578","0.2071","","","","","","1.01","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031746","10.401","0.004","10.577","0.003","17.112","0.005","90","","103.01","0.03","90","","1834.2","1.1","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Dawaigher, Sami; Månsson, Kristoffer; Ascic, Erhad; Artacho, Josep; Mårtensson, Roger; Loganathan, Nagarajan; Wendt, Ola F.; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","A Protocol for the exo-Mono and exo,exo-Bis Functionalization of the Diazocine Ring of Tröger's Base.","The Journal of organic chemistry","2015","80","24","12006","12014","10.1021/acs.joc.5b01921","","","0.71073","MoKα","","0.1846","0.0532","","","0.0929","0.1191","","","","","","0.816","","","","has coordinates","173593","2020-10-21","18:00:00",""
"4031747","10.9514","0.0008","3.8752","0.0003","21.5656","0.0016","90","","92.972","0.004","90","","913.99","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-cyano-3-(4-cholorophenyl)acrylamide","","","- C20 H10 Cl2 N4 O2 -","- C20 H14 Cl2 N4 O2 -","- C40 H28 Cl4 N8 O4 -","2","0.5","","Gunasekar, Ramachandran; Thamaraiselvi, Pichandi; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer; Easwaramoorthi, Shanmugam","Tuning the Electronic Properties of 2-Cyano-3-phenylacrylamide Derivatives.","The Journal of organic chemistry","2015","80","24","12351","12358","10.1021/acs.joc.5b02226","","","0.71073","MoKα","","0.0542","0.0434","","","0.1361","0.143","","","","","","1.112","","","","has coordinates","173594","2020-10-21","18:00:00",""
"4031748","4.7744","0.0001","16.1844","0.0004","8.8835","0.0002","90","","96.455","0.001","90","","682.08","0.03","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl F2 N O2 -","- C4 H8 Cl F2 N O2 -","- C16 H32 Cl4 F8 N4 O8 -","4","1","","Kondratov, Ivan S.; Bugera, Maksym Ya; Tolmachova, Nataliya A.; Posternak, Ganna G.; Daniliuc, Constantin G.; Haufe, Günter","Radical Reactions of Alkyl 2-Bromo-2,2-difluoroacetates with Vinyl Ethers: ""Omitted"" Examples and Application for the Synthesis of 3,3-Difluoro-GABA.","The Journal of organic chemistry","2015","80","24","12258","12264","10.1021/acs.joc.5b02171","","","0.71073","MoKα","","0.0301","0.028","","","0.0716","0.0737","","","","","","1.088","","","","has coordinates","173596","2020-10-21","18:00:00",""
"4031749","7.5975","0.0014","10.5316","0.0019","27.162","0.005","90","","97.953","0.003","90","","2152.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O2 -","- C25 H27 N3 O2 -","- C100 H108 N12 O8 -","4","1","","Bodapati, Ramakrishna; Sarma, Monima; Kanakati, Arunkumar; Das, Samar K.","Asymmetrically Substituted and π-Conjugated 2,2'-Bipyridine Derivatives: Synthesis, Spectroscopy, Computation, and Crystallography.","The Journal of organic chemistry","2015","80","24","12482","12491","10.1021/acs.joc.5b02345","","","0.71073","MoKα","","0.096","0.0806","","","0.1929","0.2045","","","","","","1.097","","","","has coordinates","173595","2020-10-21","18:00:00",""
"4031750","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0373","0.0365","","","0.1129","0.1146","","","","","","0.786","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031751","7.4623","0.0008","7.9403","0.0009","14.3735","0.0015","100.622","0.009","92.419","0.009","112.362","0.01","768.19","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.1336","0.0881","","","0.2219","0.2529","","","","","","1.168","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031752","9.3568","0.0004","15.0678","0.0006","11.9128","0.0005","90","","100.597","0.004","90","","1650.9","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","","Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane","Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.","The Journal of organic chemistry","2015","80","24","12431","12443","10.1021/acs.joc.5b02303","","","1.54178","CuKα","","0.0723","0.0595","","","0.1673","0.1793","","","","","","1.014","","","","has coordinates","173591","2020-10-21","18:00:00",""
"4031753","26.012","0.001","7.214","0.001","20.211","0.001","90","","128.649","0.001","90","","2962","0.5","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","N-(1-Acetyl-6-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C25.5 H41 N6 O4.5 S2 -","- C25.5 H41 N6 O4.5 S2 -","- C102 H164 N24 O18 S8 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0406","0.038","","","0.1022","0.1064","","","","","","1.07","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031754","8.058","0.001","14.09","0.001","12.214","0.001","90","","92.584","0.002","90","","1385.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(1-Acetyl-7-methyl-4-thia-1,2-diaza-spiro[4.5]dec-2-en-3-yl)-acetamide","","- C12 H19 N3 O2 S -","- C12 H19 N3 O2 S -","- C48 H76 N12 O8 S4 -","4","2","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","","1.5418","CuKα","","0.0448","0.0394","","","0.101","0.1091","","","","","","1.094","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031755","9.151","0.001","10.67","0.001","17.149","0.001","90","","90","","90","","1674.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0434","0.0341","","","0.0874","0.0945","","","","","","1.073","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031756","9.602","0.001","11.794","0.001","15.017","0.001","90","","90","","90","","1700.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5S,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0537","0.0387","","","0.1001","0.1133","","","","","","1.022","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031757","30.1333","0.0007","7.7644","0.0002","12.9297","0.0003","90","","105.7","0.003","90","","2912.26","0.13","190","2","190","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H40 N O12.5 -","- C32 H40 N O12.5 -","- C128 H160 N4 O50 -","4","1","","Shang, Zhuo; Salim, Angela A.; Khalil, Zeinab; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold.","The Journal of organic chemistry","2015","80","24","12501","12508","10.1021/acs.joc.5b02367","","x-ray","1.54184","CuKα","","0.0484","0.0466","","","0.1326","0.1348","","","","","","1.069","","","","has coordinates,has disorder","173588","2020-10-21","18:00:00",""
"4031758","9.2194","0.0018","28.551","0.006","11.042","0.002","90","","111.54","0.03","90","","2703.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O8 -","- C29 H28 O8 -","- C116 H112 O32 -","4","1","","Liu, Yi-Fei; Wang, Zhen; Shi, Jin-Wei; Chen, Bai-Ling; Zhao, Zhi-Gang; Chen, Zili","NHC-Ag(I)-Catalyzed Three-Component 1,3-Dipolar Cycloaddition To Provide Polysubstituted Dihydro-/Tetrahydrofurans.","The Journal of organic chemistry","2015","80","24","12733","12739","10.1021/acs.joc.5b02422","","","0.71073","MoKα","","0.106","0.0656","","","0.1593","0.1854","","","","","","1.073","","","","has coordinates,has disorder","173590","2020-10-21","18:00:00",""
"4031759","9.0734","0.0012","18.171","0.003","15.045","0.002","90","","90.571","0.003","90","","2480.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N O3 P S -","- C29 H24 N O3 P S -","- C116 H96 N4 O12 P4 S4 -","4","1","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0331","0.0292","","","0.0766","0.0789","","","","","","1.028","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4031760","13.236","0.003","19.919","0.004","34.94","0.007","90","","90","","90","","9212","3","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27.5 H22 Cl N O P S -","- C27.5 H21 Cl N O P S -","- C440 H336 Cl16 N16 O16 P16 S16 -","16","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0839","0.0639","","","0.1373","0.1474","","","","","","1.097","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031761","9.948","0.002","12.78","0.003","18.432","0.004","103.49","0.03","95.86","0.03","108.52","0.03","2120.9","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 N O P S -","- C27 H20 N O P S -","- C108 H80 N4 O4 P4 S4 -","4","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0666","0.0473","","","0.1077","0.1184","","","","","","1.018","","","","has coordinates","173585","2020-10-21","18:00:00",""
"4031800","11.5881","0.0002","12.315","0.0002","19.3155","0.0014","90","","100.473","0.007","90","","2710.5","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H77 Cl N4 Pd2 -","- C59 H77 Cl N4 Pd2 -","- C118 H154 Cl2 N8 Pd4 -","2","1","","Melvin, Patrick R.; Hazari, Nilay; Lant, Hannah M. C.; Peczak, Ian L.; Shah, Hemali P.","Comparison of the catalytic activity for the Suzuki‒Miyaura reaction of (η5-Cp)Pd(IPr)Cl with (η3-cinnamyl)Pd(IPr)(Cl) and (η3-1-t-Bu-indenyl)Pd(IPr)(Cl)","Beilstein Journal of Organic Chemistry","2015","11","","2476","","10.3762/bjoc.11.269","","","1.54178","CuKα","","0.0218","0.0218","","","0.0555","0.0556","","","","","","1.055","","","","has coordinates","173609","2020-10-21","18:00:00",""
"4033275","11.8026","0.0007","8.2761","0.0004","37.697","0.003","90","","90","","90","","3682.2","0.4","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O S2 -","- C21 N O S2 -","- C168 N8 O8 S16 -","8","1","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1116","0.1162","","","","","","1.09","","","","has coordinates","204217","2020-10-21","18:00:00",""
"4033276","7.4723","0.0003","23.1083","0.0008","9.2378","0.0004","90","","93.56","0.003","90","","1592.03","0.11","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 S3 -","- C19 S3 -","- C76 S12 -","4","2","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0457","0.045","","","0.1203","0.1208","","","","","","1.071","","","","has coordinates","204218","2020-10-21","18:00:00",""
"4033572","10.6443","0.0007","12.431","0.002","25.532","0.004","90","","101.486","0.007","90","","3310.7","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl N7 O8 P Rh -","- C32 H30 Cl N7 O8 P Rh -","- C128 H120 Cl4 N28 O32 P4 Rh4 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Ramírez-Expósito, María J; García-García, Antonio R; Peña-Ruiz, Tomás; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Structural and theoretical studies on rhodium and iridium complexes with 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of the renin-angiotensin system in human tumoral brain cells.","Journal of inorganic biochemistry","2015","143","","20","33","10.1016/j.jinorgbio.2014.11.004","","","0.71073","MoKα","","0.0636","0.0401","","","0.0867","0.0997","","","","","","1.105","","","","has coordinates","207917","2020-10-21","18:00:00",""
"4033573","11.2719","0.001","16.3064","0.0018","17.868","0.003","92.35","0.01","90.572","0.009","109.77","0.007","3087","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H19 Cl N6 O10 P Rh -","- C26 H19 Cl N6 O10 P Rh -","- C104 H76 Cl4 N24 O40 P4 Rh4 -","4","2","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Ramírez-Expósito, María J; García-García, Antonio R; Peña-Ruiz, Tomás; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Structural and theoretical studies on rhodium and iridium complexes with 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of the renin-angiotensin system in human tumoral brain cells.","Journal of inorganic biochemistry","2015","143","","20","33","10.1016/j.jinorgbio.2014.11.004","","","0.71073","MoKα","","0.0994","0.0597","","","0.141","0.1683","","","","","","1.066","","","","has coordinates","207918","2020-10-21","18:00:00",""
"4033574","10.363","0.0016","17.753","0.0016","11.701","0.0014","90","","94.809","0.012","90","","2145.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N6 O8 P2 Rh -","- C48 H42 N6 O8 P2 Rh -","- C96 H84 N12 O16 P4 Rh2 -","2","0.5","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Ramírez-Expósito, María J; García-García, Antonio R; Peña-Ruiz, Tomás; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Structural and theoretical studies on rhodium and iridium complexes with 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of the renin-angiotensin system in human tumoral brain cells.","Journal of inorganic biochemistry","2015","143","","20","33","10.1016/j.jinorgbio.2014.11.004","","","0.71073","MoKα","","0.0735","0.0424","","","0.0897","0.1061","","","","","","1.091","","","","has coordinates","207919","2020-10-21","18:00:00",""
"4036102","15.812","0.003","7.204","0.0014","38.241","0.008","90","","90","","90","","4356","1.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C192 H176 N16 O48 -","16","4","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.1962","0.0827","","","0.0829","0.1056","","","","","","0.981","","","","has coordinates","234244","2020-10-21","18:00:00",""
"4036103","13.625","0.003","5.326","0.0011","15.273","0.003","90","","106.71","0.03","90","","1061.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chen, Xin; Ge, Fei-Fei; Lu, Tao; Zhou, Qing-Fa","Stereoselective synthesis of 3-methyleneisoindolin-1-ones via base-catalyzed intermolecular reactions of electron-deficient alkynes with N-hydroxyphthalimides.","The Journal of organic chemistry","2015","80","6","3295","3301","10.1021/acs.joc.5b00002","","","0.71073","MoKα","","0.0855","0.0525","","","0.1333","0.1552","","","","","","1.005","","","","has coordinates","234246","2020-10-21","18:00:00",""
"4036104","10.2477","0.0004","10.8191","0.0004","11.3109","0.0004","79.0525","0.0011","66.6749","0.0011","76.9949","0.0012","1114.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N7 O -","- C28 H19 N7 O -","- C56 H38 N14 O2 -","2","1","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","MoKα","","0.0803","0.0634","","","0.1229","0.1332","","","","","","1.169","","","","has coordinates","234248","2020-10-21","18:00:00",""
"4036105","11.3909","0.0008","12.0108","0.0008","30.282","0.002","90","","90","","90","","4143","0.5","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H18 N6 -","- C26 H18 N6 -","- C208 H144 N48 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0929","0.0615","","","0.1366","0.1556","","","","","","1.11","","","","has coordinates","234250","2020-10-21","18:00:00",""
"4036106","23.8205","0.0011","11.7972","0.0005","11.1819","0.0004","90","","103.44","0.0014","90","","3056.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C18H12N3I","","","- C18 H12 I N3 -","- C18 H12 I N3 -","- C144 H96 I8 N24 -","8","2","","Zhang, Yanwei; Ye, Xiaohan; Petersen, Jeffery L.; Li, Minyong; Shi, Xiaodong","Synthesis and characterization of bis-N-2-aryl triazole as a fluorophore.","The Journal of organic chemistry","2015","80","7","3664","3669","10.1021/acs.joc.5b00006","","","0.71073","","","0.0492","0.0371","","","0.0894","0.0964","","","","","","1.069","","","","has coordinates","234251","2020-10-21","18:00:00",""
"4036107","8.5115","0.0006","11.0465","0.0006","11.2349","0.0007","90","","105.865","0.007","90","","1016.09","0.12","294.29","0.1","294.29","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.0628","0.0493","","","0.1157","0.1336","","","","","","1.07","","","","has coordinates,has disorder","234253","2020-10-21","18:00:00",""
"4036108","8.1338","0.0005","10.2777","0.0006","21.8101","0.0009","90","","90","","90","","1823.25","0.17","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N3 O3 -","- C19 H16 Cl N3 O3 -","- C76 H64 Cl4 N12 O12 -","4","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.1142","0.0603","","","0.1047","0.1366","","","","","","1.086","","","","has coordinates","234254","2020-10-21","18:00:00",""
"4036109","11.2837","0.0006","18.9703","0.0009","26.4631","0.0013","90","","90","","90","","5664.6","0.5","180","1","180","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Br2 N10 O8 -","- C51 H77 Br2 N10 O8 -","- C204 H308 Br8 N40 O32 -","4","1","","Haberhauer, Gebhard; Burkhart, Christoph; Woitschetzki, Sascha; Wölper, Christoph","Light and chemically driven molecular machines showing a unidirectional four-state switching cycle.","The Journal of organic chemistry","2015","80","3","1887","1895","10.1021/acs.joc.5b00026","","","0.71073","MoKα","","0.0625","0.0401","","","0.0798","0.0866","","","","","","1.024","","","","has coordinates","234255","2020-10-21","18:00:00",""
"4036110","15.2526","0.0003","19.8673","0.0005","21.8203","0.0005","90","","91.264","0.001","90","","6610.6","0.3","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.25 H26.5 Cl0.5 I2 N6 -","- C28.25 H26.5 Cl0.5 I2 N6 -","- C226 H212 Cl4 I16 N48 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0345","0.0325","","","0.0782","0.0799","","","","","","1.077","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036111","43.4863","0.0009","7.3787","0.0001","16.9153","0.0003","90","","106.333","0.001","90","","5208.61","0.16","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Br2 N6 -","- C28 H26 Br2 N6 -","- C224 H208 Br16 N48 -","8","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0381","0.0303","","","0.067","0.0711","","","","","","1.071","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036112","22.7691","0.0008","11.3418","0.0004","28.9887","0.001","90","","103.8","0.001","90","","7270","0.4","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 B2 F8 I2 N6 O -","- C31 H36 B2 F8 I2 N6 O -","- C248 H288 B16 F64 I16 N48 O8 -","8","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0542","0.04","","","0.087","0.0935","","","","","","1.037","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036113","11.6178","0.0002","12.8054","0.0002","15.4388","0.0003","100.157","0.001","93.967","0.001","103.274","0.001","2185.98","0.07","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 B I2 N9 O8 S -","- C36 H46 B I2 N9 O8 S -","- C72 H92 B2 I4 N18 O16 S2 -","2","1","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0278","0.0248","","","0.0535","0.0554","","","","","","1.068","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036114","16.0488","0.0005","17.2391","0.0007","17.3999","0.0005","118.013","0.002","112.079","0.002","93.597","0.002","3766.1","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C32.25 H36 B Br3 F4 N7 O0.25 -","- C129 H144 B4 Br12 F16 N28 O -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.1234","0.0929","","","0.229","0.2575","","","","","","1.121","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036115","15.2103","0.0003","15.8367","0.0005","17.3131","0.0005","73","0.001","69.553","0.001","74.841","0.001","3677.32","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 B2 Br2 F8 N7 S -","- C30 H33 B2 Br2 F8 N7 S -","- C120 H132 B8 Br8 F32 N28 S4 -","4","2","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0952","0.0696","","","0.142","0.1598","","","","","","1.128","","","","has coordinates,has disorder","234257","2020-10-21","18:00:00",""
"4036116","24.4902","0.0007","7.3248","0.0002","12.2729","0.0004","90","","114.913","0.002","90","","1996.72","0.11","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C96 H80 N24 O8 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Jäger, Michael; Friebe, Christian; Scharf, Daniel H.; Görls, Helmar; Schubert, Ulrich S.","Anion receptors based on halogen bonding with halo-1,2,3-triazoliums.","The Journal of organic chemistry","2015","80","6","3139","3150","10.1021/acs.joc.5b00028","","","0.71073","MoKα","","0.0438","0.0368","","","0.084","0.0886","","","","","","1.087","","","","has coordinates","234257","2020-10-21","18:00:00",""
"4036117","8.8975","0.0003","8.9207","0.0003","11.9762","0.0004","78.8932","0.0018","88.2809","0.0018","74.9253","0.0018","900.47","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","RTK-2126","","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C40 H34 N6 O8 -","2","1","","Ryu, Taekyu; Baek, Yonghyeon; Lee, Phil Ho","Synthesis of pyrazines from rhodium-catalyzed reaction of 2H-Azirines with N-sulfonyl 1,2,3-triazoles.","The Journal of organic chemistry","2015","80","4","2376","2383","10.1021/acs.joc.5b00036","","","0.71073","","","0.1409","0.104","","","0.2496","0.2703","","","","","","0.975","","","","has coordinates","234260","2020-10-21","18:00:00",""
"4036118","8.208","0.0003","14.4061","0.0005","10.6072","0.0004","90","","109.691","0.001","90","","1180.91","0.07","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Br N2 O6 -","- C26 H25 Br N2 O6 -","- C52 H50 Br2 N4 O12 -","2","1","","Lee, Jihoon; Panek, James S.","Total synthesis of (+)-isatisine a: application of a silicon-directed mukaiyama-type [3 + 2]-annulation.","The Journal of organic chemistry","2015","80","6","2959","2971","10.1021/acs.joc.5b00051","","","1.54178","CuKα","","0.025","0.0249","","","0.0763","0.0766","","","","","","0.769","","","","has coordinates","234262","2020-10-21","18:00:00",""
"4036119","9.1073","0.0003","9.5689","0.0003","12.2523","0.0004","94.511","0.002","96.832","0.002","117.146","0.002","932.65","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 N2 -","- C50 H42 N2 -","- C50 H42 N2 -","1","0.5","","Krzeszewski, Maciej; Gryko, Daniel T.","χ-Shaped bis(areno)-1,4-dihydropyrrolo[3,2-b]pyrroles generated by oxidative aromatic coupling.","The Journal of organic chemistry","2015","80","5","2893","2899","10.1021/acs.joc.5b00052","","","1.54178","CuKα","","0.0588","0.0536","","","0.1459","0.1499","","","","","","1.135","","","","has coordinates","234264","2020-10-21","18:00:00",""
"4036120","11.449","0.005","4.911","0.002","12.034","0.005","90","","95.046","0.008","90","","674","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Ling; Yang, Wen; Pan, Xuejing; Tao, Meng; Cheng, Guo; Wang, Sanyong; Zeng, Heping; Long, Yuhua; Yang, Dingqiao","Platinum-catalyzed asymmetric ring-opening reactions of oxabenzonorbornadienes with phenols.","The Journal of organic chemistry","2015","80","5","2503","2512","10.1021/acs.joc.5b00065","","","0.71073","MoKα","","0.1076","0.0492","","","0.1235","0.1676","","","","","","0.735","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036121","10.697","0.001","12.8787","0.0013","12.8484","0.0018","90","","120.842","0.003","90","","1519.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","1.54178","CuKα","","0.2088","0.0692","","","0.0799","0.1281","","","","","","0.862","","","","has coordinates","234268","2020-10-21","18:00:00",""
"4036122","9.146","0.0008","10.6429","0.0009","12.1101","0.0011","77.659","0.001","88.687","0.002","67.853","0.001","1064.43","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Br Cl N O3 -","- C25 H17 Br Cl N O3 -","- C50 H34 Br2 Cl2 N2 O6 -","2","1","","Yang, Zheng; Hao, Wen-Juan; Xu, Hai-Wei; Wang, Shu-Liang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Base-promoted transannulation of heterocyclic enamines and 2,3-epoxypropan-1-ones: regio- and stereoselective synthesis of fused pyridines and pyrroles.","The Journal of organic chemistry","2015","80","5","2781","2789","10.1021/acs.joc.5b00067","","","0.71073","MoKα","","0.0909","0.0457","","","0.0928","0.1114","","","","","","1.008","","","","has coordinates","234269","2020-10-21","18:00:00",""
"4036123","25.171","0.008","6.816","0.002","7.736","0.002","90","","90.001","0.002","90","","1327.2","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0423","0.0377","","","0.0968","0.1","","","","","","1.05","","","","has coordinates","234271","2020-10-21","18:00:00",""
"4036124","5.6","0.003","10.424","0.007","12.43","0.008","86.634","0.009","81.768","0.01","77.572","0.01","701","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C32 H24 Br2 N2 O4 -","2","1","","Huang, Hai; He, Guangke; Zhu, Guohao; Zhu, Xiaolin; Qiu, Shineng; Zhu, Hongjun","Palladium-catalyzed intramolecular cyclization of ynamides: synthesis of 4-halo-oxazolones.","The Journal of organic chemistry","2015","80","7","3480","3487","10.1021/acs.joc.5b00071","","","0.71073","MoKα","","0.0886","0.0644","","","0.1693","0.2097","","","","","","1.034","","","","has coordinates","234272","2020-10-21","18:00:00",""
"4036125","9.3627","0.0004","9.4005","0.0003","11.8314","0.0005","90","","97.518","0.004","90","","1032.38","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C42 H46 N6 O10 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0636","0.0546","","","0.1416","0.1554","","","","","","1.033","","","","has coordinates","234274","2020-10-21","18:00:00",""
"4036126","11.1565","0.0003","9.6548","0.0002","15.7965","0.0004","90","","103.487","0.002","90","","1654.58","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48 N4 O -","- C38 H48 N4 O -","- C76 H96 N8 O2 -","2","1","","Fang, Bing; Liu, Xiaohua; Zhao, Jiannan; Tang, Yu; Lin, Lili; Feng, Xiaoming","Chiral bifunctional guanidine-catalyzed enantioselective Aza-Henry reaction of isatin-derived ketimines.","The Journal of organic chemistry","2015","80","6","3332","3338","10.1021/acs.joc.5b00075","","x-ray","1.54184","CuKα","","0.0577","0.0555","","","0.1508","0.1556","","","","","","1.039","","","","has coordinates","234275","2020-10-21","18:00:00",""
"4036127","9.907","0.002","11.217","0.002","11.866","0.002","86.5","0.03","77.99","0.03","64.1","0.03","1159.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C56 H46 N2 O6 S2 -","2","1","","Li, Yin-Long; Li, Jian; Ma, Ai-Lun; Huang, Ya-Nan; Deng, Jun","Metal-free synthesis of indole via NIS-mediated cascade C-N bond formation/aromatization.","The Journal of organic chemistry","2015","80","8","3841","3851","10.1021/acs.joc.5b00090","","","0.71073","MoKα","","0.0959","0.0562","","","0.135","0.151","","","","","","0.994","","","","has coordinates","234277","2020-10-21","18:00:00",""
"4036128","24.592","0.003","8.4874","0.0009","19.112","0.002","90","","125.939","0.002","90","","3229.7","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","1","","Alcaide, Benito; Almendros, Pedro; Herrera, Fernando; Luna, Amparo; de Orbe, M. Elena; Torres, M. Rosario","Gallium-catalyzed domino arylation/oxycyclization of allenes with phenols.","The Journal of organic chemistry","2015","80","8","4157","4163","10.1021/acs.joc.5b00106","","","0.71073","MoKα","","0.1312","0.0437","","","0.0812","0.097","","","","","","0.996","","","","has coordinates","234279","2020-10-21","18:00:00",""
"4036129","9.6614","0.0012","11.0297","0.0013","13.6784","0.0016","102.519","0.002","105.735","0.002","102.476","0.002","1309.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N2 O4 S -","- C28 H31 N2 O4 S -","- C56 H62 N4 O8 S2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0756","0.0513","","","0.146","0.1687","","","","","","1.017","","","","has coordinates","234281","2020-10-21","18:00:00",""
"4036130","11.324","0.002","8.6176","0.0018","11.838","0.003","90","","105.763","0.004","90","","1111.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N2 O P -","- C25 H25 N2 O P -","- C50 H50 N4 O2 P2 -","2","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0397","0.0338","","","0.0777","0.0812","","","","","","1.037","","","","has coordinates","234283","2020-10-21","18:00:00",""
"4036131","12.0256","0.0013","8.4182","0.0009","22.784","0.002","90","","100.093","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N2 O P -","- C26 H27 N2 O P -","- C104 H108 N8 O4 P4 -","4","1","","Yu, Lian; Deng, Yuan; Cao, Jian","Regioselective Synthesis of Highly Substituted Imidazoles via the Sequential Reaction of Allenyl Sulfonamides and Amines.","The Journal of organic chemistry","2015","80","9","4729","4735","10.1021/acs.joc.5b00141","","","0.71073","MoKα","","0.0556","0.04","","","0.0947","0.1051","","","","","","1.036","","","","has coordinates","234284","2020-10-21","18:00:00",""
"4036132","8.0904","0.001","9.992","0.0012","13.4675","0.0016","82.598","0.002","87.292","0.002","68.4661","0.0019","1004.3","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C42 H64 O4 Si2 -","2","1","","Ying, Jun; Brown, Kenneth B.; Sandridge, Matthew J.; Hering, Brooke A.; Sabat, Michal; Pu, Lin","Rh(I)-catalyzed chemo- and stereoselective domino cycloaddition of optically active propargyl 2,4-hexadienyl ethers.","The Journal of organic chemistry","2015","80","6","3195","3202","10.1021/acs.joc.5b00150","","","0.71073","MoKα","","0.0767","0.0638","","","0.1811","0.1976","","","","","","0.984","","","","has coordinates","234286","2020-10-21","18:00:00",""
"4036133","13.0908","0.0002","6.7839","0.0001","20.8733","0.0004","90","","95.182","0.002","90","","1846.11","0.05","173","2","173","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H20 F N3 O5 -","- C20 H20 F N3 O5 -","- C80 H80 F4 N12 O20 -","4","1","","Medvecky, Michal; Istrate, Alena; Leumann, Christian J.","Synthesis and properties of 6'-fluoro-tricyclo-DNA.","The Journal of organic chemistry","2015","80","7","3556","3565","10.1021/acs.joc.5b00184","","","0.71073","MoKα","","0.0506","0.0405","","","0.0845","0.0913","","","","","","1.033","","","","has coordinates","234288","2020-10-21","18:00:00",""
"4036134","9.6199","0.0002","13.6428","0.0003","10.5086","0.0003","90","","111.148","0.0013","90","","1286.29","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0792","","","","0.2214","","","","","","1.07","","","","has coordinates","234289","2020-10-21","18:00:00",""
"4036135","9.69422","0.00018","14.6953","0.0003","23.5832","0.0005","90","","90","","90","","3359.65","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 N2 O4 -","- C43 H36 N2 O4 -","- C172 H144 N8 O16 -","4","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0423","","","","0.0928","","","","","","1.081","","","","has coordinates","234290","2020-10-21","18:00:00",""
"4036136","12.7178","0.0004","7.5494","0.0002","14.0334","0.0004","90","","109.232","0.0003","90","","1272.18","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br O2 -","- C13 H19 Br O2 -","- C52 H76 Br4 O8 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","Synthesis of substituted resorcinol monomethyl ethers from 2-bromo-3-methoxycyclohex-2-en-1-ones.","The Journal of organic chemistry","2015","80","6","3211","3216","10.1021/acs.joc.5b00192","","","0.71073","MoKα","","0.0232","0.0208","","","0.0538","0.055","","","","","","1.03","","","","has coordinates","234291","2020-10-21","18:00:00",""
"4036137","9.856","0.004","15.543","0.007","17.398","0.007","90","","90","","90","","2665.2","1.9","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br Cl2 N2 O3 -","- C30 H27 Br Cl2 N2 O3 -","- C120 H108 Br4 Cl8 N8 O12 -","4","1","","Wang, Yang; Tu, Man-Su; Yin, Lei; Sun, Meng; Shi, Feng","Brønsted acid catalyzed asymmetric diels-alder reactions: stereoselective construction of spiro[tetrahydrocarbazole-3,3'-oxindole] framework.","The Journal of organic chemistry","2015","80","6","3223","3232","10.1021/acs.joc.5b00198","","","0.71073","MoKα","","0.091","0.0798","","","0.2091","0.2175","","","","","","1.054","","","","has coordinates","234293","2020-10-21","18:00:00",""
"4036138","11.971","0.002","11.971","0.002","16.556","0.003","90","","90","","90","","2372.6","0.7","173.15","","173.15","","","","","","","","","6","P 41","P 4w","76","","","","- C24 H23 Br F3 N O3 -","- C24 H23 Br F3 N O3 -","- C96 H92 Br4 F12 N4 O12 -","4","1","","Wang, Dong-Ling; Liang, Zhi-Qin; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of trifluoromethyldihydropyridinones.","The Journal of organic chemistry","2015","80","11","5900","5905","10.1021/acs.joc.5b00232","","","0.71073","MoKα","","0.0456","0.0405","","","0.0886","0.0918","","","","","","1.114","","","","has coordinates","234295","2020-10-21","18:00:00",""
"4036139","35.939","0.005","11.4367","0.0017","22.415","0.003","90","","118.668","0.002","90","","8084","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H50 B Cl P S4 -","- C39.5 H42 B Cl P S4 -","- C316 H336 B8 Cl8 P8 S32 -","8","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.076","0.0437","","","0.1533","0.1704","","","","","","1.024","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036140","10.0104","0.0014","13.3519","0.0019","23.116","0.003","82.239","0.003","89.817","0.003","68.13","0.002","2837.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 P2 S4 -","- C58 H84 B2 P2 S4 -","- C116 H168 B4 P4 S8 -","2","1","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.0701","0.0375","","","0.0965","0.106","","","","","","0.909","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036141","9.9438","0.0016","17.258","0.003","27.89","0.005","90","","98.592","0.003","90","","4732.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1668","0.1002","","","0.2783","0.3288","","","","","","1.094","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036142","9.947","0.0016","17.253","0.003","27.87","0.005","90","","98.649","0.003","90","","4728.5","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H62 B2 P2 S4 -","- C44 H62 B2 P2 S4 -","- C176 H248 B8 P8 S16 -","4","2","","Dova, Davide; Cauteruccio, Silvia; Prager, Stefan; Dreuw, Andreas; Graiff, Claudia; Licandro, Emanuela","Chiral thiahelicene-based alkyl phosphine-borane complexes: synthesis, X-ray characterization, and theoretical and experimental investigations of optical properties.","The Journal of organic chemistry","2015","80","8","3921","3928","10.1021/acs.joc.5b00243","","","0.71073","MoKα","","0.1072","0.0618","","","0.18","0.2173","","","","","","0.986","","","","has coordinates","234297","2020-10-21","18:00:00",""
"4036143","7.8332","0.0003","12.1246","0.0004","13.0964","0.0004","90","","102.159","0.001","90","","1215.92","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Martínez-López, David; Yu, Meng-Long; García-Iriepa, Cristina; Campos, Pedro J.; Frutos, Luis Manuel; Golen, James A.; Rasapalli, Sivappa; Sampedro, Diego","Hydantoin-based molecular photoswitches.","The Journal of organic chemistry","2015","80","8","3929","3939","10.1021/acs.joc.5b00244","","","1.54178","CuKα","","0.0459","0.0428","","","0.1259","0.131","","","","","","1.017","","","","has coordinates","234299","2020-10-21","18:00:00",""
"4036144","8.46912","0.00008","9.73854","0.00011","22.7407","0.0002","90","","90","","90","","1875.58","0.03","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0185","0.0178","","","0.0452","0.0457","","","","","","1.085","","","","has coordinates","234301","2020-10-21","18:00:00",""
"4036145","5.7653","0.0002","8.9351","0.0004","17.7277","0.0009","89.483","0.004","88.583","0.004","72.496","0.004","870.66","0.07","130.01","0.1","130.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 I O2 -","- C21 H15 I O2 -","- C42 H30 I2 O4 -","2","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0493","0.0454","","","0.1358","0.1376","","","","","","1.083","","","","has coordinates","234302","2020-10-21","18:00:00",""
"4036146","25.9617","0.0005","8.38374","0.00012","14.3655","0.0002","90","","102.867","0.0015","90","","3048.22","0.09","130.01","0.1","130.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O2 -","- C17 H12 I N O2 -","- C136 H96 I8 N8 O16 -","8","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.026","0.0242","","","0.0626","0.0645","","","","","","1.029","","","","has coordinates","234303","2020-10-21","18:00:00",""
"4036147","12.373","0.004","15.283","0.005","14.826","0.005","90","","98.377","0.004","90","","2773.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N2 O2 P -","- C33 H31 N2 O2 P -","- C132 H124 N8 O8 P4 -","4","1","","Lin, Chao-Yang; Sun, Zhao; Xu, Yan-Jun; Lu, Chong-Dao","Synthesis of aryl anti-vicinal diamines via aza-Brook rearrangement-initiated nucleophilic addition of α-silylamines to imines.","The Journal of organic chemistry","2015","80","7","3714","3722","10.1021/acs.joc.5b00255","","","0.71073","MoKα","","0.0926","0.0628","","","0.2041","0.2372","","","","","","1.09","","","","has coordinates","234305","2020-10-21","18:00:00",""
"4036148","17.4936","0.0003","22.4947","0.0003","23.0451","0.0003","90","","90","","90","","9068.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H84 N8 O16 Rh2 -","- C86 H84 N8 O16 Rh2 -","- C344 H336 N32 O64 Rh8 -","4","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0354","0.0327","","","0.0896","0.0911","","","","","","1.047","","","","has coordinates,has disorder","234307","2020-10-21","18:00:00",""
"4036149","10.723","0.0004","6.055","0.0002","13.7208","0.0005","90","","105.927","0.001","90","","856.66","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N O2 S -","- C14 H18 Cl3 N O2 S -","- C28 H36 Cl6 N2 O4 S2 -","2","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0283","0.0281","","","0.0717","0.072","","","","","","1.068","","","","has coordinates","234309","2020-10-21","18:00:00",""
"4036150","18.8047","0.0012","12.8679","0.0009","18.8388","0.0013","90","","99.556","0.007","90","","4495.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C208 H168 N8 O16 -","8","1","","Liu, Le; Wang, Jianbo; Zhou, Hongwei","Selectfluor-Promoted Sequential Reactions via Allene Intermediates: Metal-Free Construction of Fused Polycyclic Skeletons.","The Journal of organic chemistry","2015","80","9","4749","4753","10.1021/acs.joc.5b00261","","","0.71073","MoKα","","0.0995","0.0652","","","0.188","0.2087","","","","","","1.049","","","","has coordinates","234310","2020-10-21","18:00:00",""
"4036151","14.7196","0.0007","5.8118","0.0002","15.2737","0.0006","90","","109.568","0.003","90","","1231.16","0.09","210","2","210","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Phenyl-3a,8-dihydro-3H-pyrazolo[5,1-a]isoindol-2-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Schmidt, Bernd; Elizarov, Nelli; Schilde, Uwe; Kelling, Alexandra","Dual Role of Acetanilides: Traceless Removal of a Directing Group through Deacetylation/Diazotation and Palladium-Catalyzed C-C-Coupling Reactions.","The Journal of organic chemistry","2015","80","9","4223","4234","10.1021/acs.joc.5b00272","","","0.71073","MoKα","","0.0519","0.0332","","","0.0761","0.0822","","","","","","0.941","","","","has coordinates","234312","2020-10-21","18:00:00",""
"4036152","6.2816","0.0003","28.4861","0.0016","11.4483","0.0006","90","","102.171","0.003","90","","2002.49","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0908","0.07","","","0.2204","0.2397","","","","","","1.801","","","","has coordinates","234314","2020-10-21","18:00:00",""
"4036153","12.5448","0.0006","11.8243","0.0005","21.3466","0.001","90","","90","","90","","3166.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0567","0.0467","","","0.1635","0.1829","","","","","","1.55","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036154","24.7389","0.001","8.0887","0.0003","21.7176","0.0009","90","","114.145","0.004","90","","3965.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O4 S -","- C23 N2 O4 S -","- C184 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.13","0.1039","","","0.3189","0.3388","","","","","","2.544","","","","has coordinates","234318","2020-10-21","18:00:00",""
"4036155","23.1139","0.0009","10.9419","0.0005","15.74","0.0006","90","","93.904","0.002","90","","3971.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C160 H176 N16 O32 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.113","0.0725","","","0.2117","0.2479","","","","","","1.7","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036156","9.959","0.0014","9.9943","0.0014","11.4282","0.0016","74.08","0.002","77.755","0.002","64.182","0.001","979","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Shang, Yongjia; Hu, Xiaoqian; He, Xinwei; Tao, Jiajia; Han, Guang; Wu, Fuli; Wang, Jie","FeCl3-Mediated Synthesis of β-Alkynyl Ketones via Domino Nucleophilic-Substitution/Intramolecular-Cyclization/Reverse Claisen Condensation of N-Cyclohexyl Propargylamines and 1,3-Diketones.","The Journal of organic chemistry","2015","80","9","4760","4765","10.1021/acs.joc.5b00281","","","0.71073","MoKα","","0.0473","0.0405","","","0.1097","0.1163","","","","","","1.053","","","","has coordinates","234322","2020-10-21","18:00:00",""
"4036157","11.5642","0.0006","9.0929","0.0003","11.262","0.0004","90","","107.084","0.005","90","","1131.97","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.1081","0.0514","","","0.1031","0.1276","","","","","","1.017","","","","has coordinates","234324","2020-10-21","18:00:00",""
"4036158","6.4047","0.0006","11.833","0.005","20.4531","0.0019","90","","90","","90","","1550.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.0596","0.0435","","","0.0862","0.0971","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036159","34.1629","0.0008","20.3663","0.0004","19.4299","0.0003","90","","104.204","0.002","90","","13105.5","0.5","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H41 N3 O -","- C84 H41 N3 O -","- C672 H328 N24 O8 -","8","1","","Liang, Sisi; Xu, Liang; Gan, Liangbing","Synthesis and chemical reactivity of tetrahydro[60]fullerene epoxides with both amino and aryl addends.","The Journal of organic chemistry","2015","80","8","3957","3964","10.1021/acs.joc.5b00287","","","0.7107","MoKα","","0.1023","0.0817","","","0.2338","0.2481","","","","","","1.073","","","","has coordinates","234328","2020-10-21","18:00:00",""
"4036160","15.916","0.002","11.755","0.003","25.654","0.005","90","","106.285","0.003","90","","4607.1","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O1.5 S -","- C28 H25 N3 O1.5 S -","- C224 H200 N24 O12 S8 -","8","2","","Wen, Li-Rong; Yuan, Wen-Kui; Li, Ming","Dual Roles of β-Oxodithioesters in the Copper-Catalyzed Synthesis of Benzo[e]pyrazolo[1,5-c][1,3]thiazine Derivatives.","The Journal of organic chemistry","2015","80","10","4942","4949","10.1021/acs.joc.5b00288","","","0.71073","MoKα","","0.0957","0.0805","","","0.1523","0.1603","","","","","","1.17","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4036161","9.1085","0.0012","11.2556","0.0014","18.194","0.002","77.224","0.002","80.557","0.002","87.831","0.002","1794.4","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H39 Br N2 O8 S -","- C39 H39 Br N2 O8 S -","- C78 H78 Br2 N4 O16 S2 -","2","2","","Liu, Teng; Liu, Weiwei; Li, Xiaonian; Peng, Fangzhi; Shao, Zhihui","Catalytic Asymmetric Construction of Vicinal Tetrasubstituted Stereocenters by the Mannich Reaction of Linear α-Substituted Monothiomalonates with Isatin N-Boc Ketimines.","The Journal of organic chemistry","2015","80","10","4950","4956","10.1021/acs.joc.5b00302","","","0.71073","MoKα","","0.0528","0.0437","","","0.1093","0.1127","","","","","","0.992","","","","has coordinates","234333","2020-10-21","18:00:00",""
"4036162","7.916","0.0013","13.6054","0.001","17.845","0.002","90","","94.441","0.014","90","","1916.1","0.4","106.7","","106.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2,4-thiadiazinane 6b","Ethyl rel(4bR,5R,13bS)-4b,5,9,13b,15,16-hexahydro-8H-[1,2,4]thiadiazino[3,2-a:5,4-a']diisoquinoline-5-carboxylate 6,6-dioxide","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C88 H96 N8 O16 S4 -","4","1","","Yang, Zhanhui; Chen, Ning; Xu, Jiaxi","Substituent-controlled annuloselectivity and stereoselectivity in the sulfa-Staudinger cycloadditions.","The Journal of organic chemistry","2015","80","7","3611","3620","10.1021/acs.joc.5b00312","","","0.7107","MoKα","","0.046","0.0373","","","0.0838","0.0897","","","","","","1.043","","","","has coordinates","234334","2020-10-21","18:00:00",""
"4036163","12.65","0.003","9.735","0.0019","23.36","0.005","90","","101.6","0.03","90","","2818","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 Ni O3 -","- C33 H29 N3 Ni O3 -","- C132 H116 N12 Ni4 O12 -","4","1","","Zhang, Fan; Sun, Hengzhi; Song, Zhuang; Zhou, Shuxi; Wen, Xiaoan; Xu, Qing-Long; Sun, Hongbin","Stereoselective Synthesis of Arylglycine Derivatives via Palladium-Catalyzed α-Arylation of a Chiral Nickel(II) Glycinate.","The Journal of organic chemistry","2015","80","9","4459","4464","10.1021/acs.joc.5b00314","","","0.71073","MoKα","","0.0747","0.0437","","","0.102","0.1141","","","","","","1","","","","has coordinates","234336","2020-10-21","18:00:00",""
"4036164","9.1098","0.0002","9.1098","0.0002","29.0236","0.0008","90","","90","","120","","2085.93","0.09","223","2","223","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0458","0.0438","","","0.097","0.0983","","","","","","1.046","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036165","9.1086","0.0002","9.1086","0.0002","29.0117","0.0008","90","","90","","120","","2084.52","0.09","223","2","223","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C72 H126 N6 O18 S6 -","6","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0415","0.0379","","","0.0951","0.0977","","","","","","1.036","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036166","6.4823","0.0004","8.3175","0.0006","13.0478","0.0008","90","","93.143","0.004","90","","702.43","0.08","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0482","0.0445","","","0.1134","0.1174","","","","","","1.044","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036167","6.4701","0.0009","8.3119","0.001","13.054","0.002","90","","93.313","0.005","90","","700.86","0.17","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C24 H42 N2 O6 S2 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Daniliuc, Constantin G.; Volochnyuk, Dmitriy M.; Komarov, Igor V.","Synthesis and structural analysis of angular monoprotected diamines based on spiro[3.3]heptane scaffold.","The Journal of organic chemistry","2015","80","8","3974","3981","10.1021/acs.joc.5b00323","","","1.54178","CuKα","","0.0727","0.0674","","","0.1796","0.1886","","","","","","1.058","","","","has coordinates","234337","2020-10-21","18:00:00",""
"4036168","18.2665","0.0013","11.8338","0.0007","19.3611","0.0014","90","","113.875","0.008","90","","3827","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","2","","Wallbaum, Jan; Jones, Peter G.; Werz, Daniel B.","Reacting cyclopropenones with arynes: access to spirocyclic xanthene-cyclopropene motifs.","The Journal of organic chemistry","2015","80","7","3730","3734","10.1021/acs.joc.5b00330","","","0.71073","MoKα","","0.0773","0.0507","","","0.0969","0.1079","","","","","","1.04","","","","has coordinates","234339","2020-10-21","18:00:00",""
"4036169","19.114","0.0018","20.524","0.002","5.798","0.0006","90","","90","","90","","2274.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.","Enantioselective total syntheses of (+)-hostmanin A, (-)-linderol A, (+)-methyllinderatin and structural reassignment of adunctin E.","The Journal of organic chemistry","2015","80","9","4526","4531","10.1021/acs.joc.5b00331","","","0.71073","MoKα","","0.1151","0.078","","","0.2162","0.2421","","","","","","1.012","","","","has coordinates","234340","2020-10-21","18:00:00",""
"4036170","12.4099","0.0018","4.9012","0.0007","21.768","0.003","90","","105.392","0.008","90","","1276.5","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N2 O5 -","- C28 H27 F3 N2 O5 -","- C56 H54 F6 N4 O10 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0695","0.0416","","","0.1175","0.1446","","","","","","1.068","","","","has coordinates","234342","2020-10-21","18:00:00",""
"4036171","4.7783","0.0002","24.114","0.001","10.8711","0.0005","90","","98.831","0.004","90","","1237.76","0.09","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 F3 N2 O4 -","- C27 H31 F3 N2 O4 -","- C54 H62 F6 N4 O8 -","2","1","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54184","CuKα","","0.0697","0.0689","","","0.1892","0.1901","","","","","","1.014","","","","has coordinates","234344","2020-10-21","18:00:00",""
"4036172","14.4409","0.0006","6.4059","0.0003","21.8029","0.001","90","","94.977","0.003","90","","2009.32","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 N2 O3 -","- C20 H25 F3 N2 O3 -","- C80 H100 F12 N8 O12 -","4","2","","Szcześniak, Piotr; Maziarz, Elżbieta; Stecko, Sebastian; Furman, Bartłomiej","Synthesis of polyhydroxylated piperidine and pyrrolidine peptidomimetics via one-pot sequential lactam reduction/Joullié-Ugi reaction.","The Journal of organic chemistry","2015","80","7","3621","3633","10.1021/acs.joc.5b00335","","","1.54178","CuKα","","0.0715","0.0623","","","0.1804","0.1935","","","","","","1.05","","","","has coordinates","234346","2020-10-21","18:00:00",""
"4036173","18.348","0.006","7.522","0.002","12.006","0.004","90","","104.643","0.006","90","","1603.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B10 N2 S -","- C10 H14 B10 N2 S -","- C40 H56 B40 N8 S4 -","4","1","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1278","0.0758","","","0.2002","0.2479","","","","","","1.066","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036174","15.986","0.008","11.333","0.006","14.165","0.007","90","","114.529","0.008","90","","2335","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B10 N4 S2 -","- C18 H16 B10 N4 S2 -","- C72 H64 B40 N16 S8 -","4","0.5","","Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook","Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.","The Journal of organic chemistry","2015","80","9","4573","4580","10.1021/acs.joc.5b00336","","","0.71073","MoKα","","0.1313","0.0932","","","0.2462","0.2616","","","","","","1.184","","","","has coordinates","234348","2020-10-21","18:00:00",""
"4036175","14.796","0.004","14.826","0.004","17.185","0.005","92.321","0.005","95.308","0.005","95.191","0.004","3733.7","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 Br2 N4 Ni -","- C76 H88 Br2 N4 Ni -","- C152 H176 Br4 N8 Ni2 -","2","1","","Di Carlo, Gabriele; Orbelli Biroli, Alessio; Tessore, Francesca; Rizzato, Silvia; Forni, Alessandra; Magnano, Giulia; Pizzotti, Maddalena","Light-Induced Regiospecific Bromination of meso-Tetra(3,5-di-tert-butylphenyl)Porphyrin on 2,12 β-Pyrrolic Positions.","The Journal of organic chemistry","2015","80","10","4973","4980","10.1021/acs.joc.5b00367","","","0.71073","MoKα","","0.136","0.0873","","","0.2411","0.2744","","","","","","1.07","","","","has coordinates,has disorder","234350","2020-10-21","18:00:00",""
"4036176","20.1712","0.0006","5.5819","0.0001","28.3409","0.0009","90","","107.75","0.004","90","","3039.1","0.16","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H48 N2 O3 S -","- C31 H48 N2 O3 S -","- C124 H192 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Shah, Rushabh S.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of nakinadine D, nakinadine E, and nakinadine F: confirmation of their relative (RS,SR)-configurations and proposal of their absolute (2S,3R)-configurations.","The Journal of organic chemistry","2015","80","8","4017","4029","10.1021/acs.joc.5b00376","","","1.5418","CuKα","","0.041","0.0359","","0.0948","0.0891","0.0947","","","","","","1","","","","has coordinates","234352","2020-10-21","18:00:00",""
"4036177","8.2508","0.0004","11.0623","0.0005","11.3405","0.0005","103.306","0.004","95.478","0.004","100.9","0.004","978.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Cl O3 -","- C23 H19 Cl O3 -","- C46 H38 Cl2 O6 -","2","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0707","0.0648","","","0.1959","0.204","","","","","","1.067","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036178","15.467","0.003","5.7705","0.001","22.341","0.005","90","","99.1","0.02","90","","1968.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1545","0.0701","","","0.1344","0.1746","","","","","","1.024","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036179","11.8106","0.0011","8.1876","0.0009","19.816","0.003","90","","104.297","0.011","90","","1856.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","0.71073","MoKα","","0.1013","0.0599","","","0.1565","0.1865","","","","","","0.963","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036180","12.3414","0.0004","20.8549","0.0006","6.9482","0.0002","90","","90","","90","","1788.32","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0483","0.0411","","","0.0988","0.1049","","","","","","1.075","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036181","15.4744","0.0003","16.1876","0.0003","15.6267","0.0003","90","","100.335","0.0018","90","","3850.87","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O5 -","- C23 H17 N O5 -","- C184 H136 N8 O40 -","8","1","","Kumari, A. Leela Siva; Swamy, K. C. Kumara","Divergence in the reactivity between amine- and phosphine-catalyzed cycloaddition reactions of allenoates with enynals: one-pot gold-catalyzed synthesis of trisubstituted benzofurans from the [3 + 2] cycloadduct via 1,2-alkyl migration and dehydrogenation.","The Journal of organic chemistry","2015","80","8","4084","4096","10.1021/acs.joc.5b00415","","","1.54184","CuKα","","0.0703","0.0666","","","0.1549","0.1592","","","","","","1.146","","","","has coordinates","234354","2020-10-21","18:00:00",""
"4036182","13.8025","0.0013","12.8183","0.0006","16.7453","0.0008","90","","90","","90","","2962.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 B F4 N O -","- C14 H16 B F3.9996 N O -","- C112 H128 B8 F31.9968 N8 O8 -","8","1","","Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio","Synthesis of bench-stable diarylmethylium tetrafluoroborates.","The Journal of organic chemistry","2015","80","9","4791","4796","10.1021/acs.joc.5b00418","","x-ray","0.71073","MoKα","","0.1005","0.0889","","","0.2737","0.2891","","","","","","1.012","","","","has coordinates,has disorder","234357","2020-10-21","18:00:00",""
"4036183","9.0607","0.0003","12.9754","0.0004","13.6636","0.001","90","","93.395","0.007","90","","1603.56","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 1","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.046","0.0394","","","0.0996","0.1036","","","","","","1.088","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036184","7.7461","0.0002","13.7554","0.0003","8.0544","0.0006","90","","106.57","0.007","90","","822.56","0.07","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound 2","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","1.54187","CuKα","","0.0731","0.0615","","","0.1639","0.1909","","","","","","1.111","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036185","9.3674","0.001","18.924","0.002","9.5002","0.001","90","","92.427","0.007","90","","1682.6","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","compound 3","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.1458","0.0877","","","0.1433","0.1621","","","","","","1.166","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036186","8.2249","0.0003","15.9388","0.0005","19.3071","0.0013","90.772","0.006","100.563","0.007","97.981","0.007","2462.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","compound 4","","","- C19 H22 O3 -","- C19 H22 O3 -","- C114 H132 O18 -","6","3","","Bailey, William F.; Lambert, Kyle M.; Wiberg, Kenneth B.; Mercado, Brandon Q.","Effect of remote aryl substituents on the conformational equilibria of 2,2-diaryl-1,3-dioxanes: importance of electrostatic interactions.","The Journal of organic chemistry","2015","80","8","4108","4115","10.1021/acs.joc.5b00422","","","0.71075","MoKα","","0.0474","0.0389","","","0.0947","0.0999","","","","","","1.094","","","","has coordinates","234359","2020-10-21","18:00:00",""
"4036187","14.566","0.003","20.54","0.004","7.8955","0.0014","90","","95.933","0.006","90","","2349.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H18 F4 N -","- C36.5 H18 F4 N -","- C146 H72 F16 N4 -","4","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.1328","0.0724","","","0.1576","0.1795","","","","","","1.141","","","","has coordinates,has disorder","234361","2020-10-21","18:00:00",""
"4036188","28.9098","0.0015","11.3723","0.0005","28.865","0.002","90","","119.143","0.001","90","","8288.6","0.8","100","0.2","100","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C55 H39 O7 -","- C55 H39 O7 -","- C440 H312 O56 -","8","1","","Kumar, Sushil; Tao, Yu-Tai","Synthesis of Polyarylated Carbazoles: Discovery toward Soluble Phenanthro- and Tetraceno-Fused Carbazole Derivatives.","The Journal of organic chemistry","2015","80","10","5066","5076","10.1021/acs.joc.5b00423","","","0.71073","MoKα","","0.0874","0.0601","","","0.1472","0.1597","","","","","","1.085","","","","has coordinates,has disorder","234363","2020-10-21","18:00:00",""
"4036189","6.7266","0.0009","13.5479","0.0019","7.8299","0.0011","90","","105.259","0.001","90","","688.39","0.16","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 B F2 N2 O2 -","- C4 H7 B F2 N2 O2 -","- C16 H28 B4 F8 N8 O8 -","4","1","","Morita, Nobuyoshi; Kono, Rina; Fukui, Kenji; Miyazawa, Asuka; Masu, Hyuma; Azumaya, Isao; Ban, Shintaro; Hashimoto, Yoshimitsu; Okamoto, Iwao; Tamura, Osamu","BF3-Mediated cis-Selective Cycloaddition of O-Silyloxime with Alkenes.","The Journal of organic chemistry","2015","80","9","4797","4802","10.1021/acs.joc.5b00426","","","0.71073","MoKα","","0.0348","0.0324","","","0.0907","0.0922","","","","","","1.087","","","","has coordinates","234364","2020-10-21","18:00:00",""
"4036190","12.7329","0.0003","9.8758","0.0002","20.0466","0.0005","90","","90","","90","","2520.81","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","0.71073","MoKα","","0.0614","0.0479","","","0.1323","0.1381","","","","","","1.15","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036191","15.734","0.0009","4.8131","0.0002","17.7517","0.0008","90","","104.822","0.005","90","","1299.59","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 N2 S3 -","- C14 H6 F2 N2 S3 -","- C56 H24 F8 N8 S12 -","4","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","1.54184","CuKα","","0.058","0.0453","","","0.1167","0.1259","","","","","","1.033","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036192","8.7785","0.0009","13.8258","0.0013","15.4586","0.0017","90","","90","","90","","1876.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoK/a","","0.1307","0.062","","","0.1481","0.1789","","","","","","1.007","","","","has coordinates","234368","2020-10-21","18:00:00",""
"4036193","7.213","0.0003","12.9671","0.0005","14.1141","0.0006","90","","90","","90","","1320.12","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0378","0.0337","","","0.0894","0.0931","","","","","","1.048","","","","has coordinates","234369","2020-10-21","18:00:00",""
"4036194","7.5978","0.0002","8.3479","0.0002","12.4229","0.0003","90","","97.7471","0.0012","90","","780.74","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C32 H36 N4 O10 -","2","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0466","0.0402","","","0.0974","0.1029","","","","","","1.063","","","","has coordinates","234371","2020-10-21","18:00:00",""
"4036195","30.816","0.012","5.424","0.002","14.333","0.005","90","","105.807","0.006","90","","2305.1","1.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C104 H88 N24 S8 -","8","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Copper acetate-DMSO promoted methylthiolation of arenes and heteroarenes.","The Journal of organic chemistry","2015","80","8","4116","4122","10.1021/acs.joc.5b00443","","","0.71073","MoKα","","0.0579","0.0518","","","0.1163","0.1198","","","","","","1.149","","","","has coordinates","234373","2020-10-21","18:00:00",""
"4036196","16.3367","0.001","13.1395","0.0009","10.2258","0.0006","90","","90.818","0.002","90","","2194.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N5 O3 -","- C22 H31 N5 O3 -","- C88 H124 N20 O12 -","4","1","","Salvador, Carlos Eduardo M.; Pieber, Bartholomäus; Neu, Philipp M.; Torvisco, Ana; Kleber Z Andrade, Carlos; Kappe, C. Oliver","A sequential Ugi multicomponent/Cu-catalyzed azide-alkyne cycloaddition approach for the continuous flow generation of cyclic peptoids.","The Journal of organic chemistry","2015","80","9","4590","4602","10.1021/acs.joc.5b00445","","","0.71073","MoKα","","0.0595","0.0455","","","0.1155","0.1239","","","","","","1.029","","","","has coordinates","234375","2020-10-21","18:00:00",""
"4036197","9.57757","0.00016","11.68339","0.00018","12.569","0.0002","90","","90","","90","","1406.45","0.04","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Struble, Mark D.; Holl, Maxwell Gargiulo; Coombs, Gavin; Siegler, Maxime A.; Lectka, Thomas","Synthesis of a Tight Intramolecular OH···Olefin Interaction, Probed by IR, (1)H NMR, and Quantum Chemistry.","The Journal of organic chemistry","2015","80","9","4803","4807","10.1021/acs.joc.5b00470","","","1.54178","CuKα","","0.0282","0.0276","","","0.0697","0.0702","","","","","","1.074","","","","has coordinates","234376","2020-10-21","18:00:00",""
"4036198","7.7983","0.0006","8.4361","0.0008","10.6779","0.0009","97.918","0.007","106.53","0.007","90.609","0.007","666.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Liu, Jianzhong; Xie, Ying; Zeng, Wei; Lin, Dongen; Deng, Yuanfu; Lu, Xiaoxia","Pd(II)-Catalyzed Pyridine N-Oxides Directed Arylation of Unactivated Csp(3)-H Bonds.","The Journal of organic chemistry","2015","80","9","4618","4626","10.1021/acs.joc.5b00489","","","1.54178","CuKα","","0.0398","0.0334","","","0.0856","0.0932","","","","","","1.015","","","","has coordinates","234378","2020-10-21","18:00:00",""
"4036199","27.882","0.003","7.9855","0.0009","17.2024","0.0019","90","","123.328","0.002","90","","3200.2","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Shang, Xue Song; Li, Nian Tai; Siyang, Hai Xiao; Liu, Pei Nian","Palladium-Catalyzed Tandem Carbene Migratory Insertion and Intramolecular Cyclization: Synthesis of Chromeno[4,3-b]chromene Compounds.","The Journal of organic chemistry","2015","80","9","4808","4815","10.1021/acs.joc.5b00500","","","0.71073","MoKα","","0.0614","0.0499","","","0.1381","0.1481","","","","","","1.019","","","","has coordinates","234380","2020-10-21","18:00:00",""
"4036200","11.7263","0.001","8.0477","0.0007","16.6817","0.0015","90","","102.51","0.001","90","","1536.9","0.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 N2 O S -","- C15 H15 F3 N2 O S -","- C60 H60 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1238","0.1302","","","","","","1.037","","","","has coordinates","234383","2020-10-21","18:00:00",""
"4036201","13.5783","0.0019","12.2811","0.0017","13.771","0.002","90","","112.448","0.002","90","","2122.4","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 F3 N2 O S -","- C21 H17 Cl2 F3 N2 O S -","- C84 H68 Cl8 F12 N8 O4 S4 -","4","1","","Xiong, Heng-Ying; Besset, Tatiana; Cahard, Dominique; Pannecoucke, Xavier","Palladium(II)-catalyzed directed trifluoromethylthiolation of unactivated C(sp³)-H bonds.","The Journal of organic chemistry","2015","80","8","4204","4212","10.1021/acs.joc.5b00505","","x-ray","0.71073","MoKα","","0.0623","0.0476","","","0.1239","0.1368","","","","","","1.04","","","","has coordinates","234385","2020-10-21","18:00:00",""
"4036202","11.5931","0.0002","10.9324","0.0002","18.2371","0.0013","90","","92.902","0.007","90","","2308.41","0.18","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C112 H108 N12 O4 -","4","1","","Grosse, Sandrine; Pillard, Christelle; Massip, Stéphane; Marchivie, Mathieu; Jarry, Christian; Bernard, Philippe; Guillaumet, Gérald","Ligandless Palladium-Catalyzed Regioselective Direct C-H Arylation of Imidazo[1,2-a]imidazole Derivatives.","The Journal of organic chemistry","2015","80","17","8539","8551","10.1021/acs.joc.5b00534","","","1.54178","CuKα","","0.1","0.079","","","0.1781","0.1897","","","","","","1.012","","","","has coordinates,has disorder","234387","2020-10-21","18:00:00",""
"4036203","11.28023","0.00018","6.62379","0.00009","13.9299","0.0002","90","","100.736","0.0015","90","","1022.59","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H34 B O P -","- C21 H34 B O P -","- C42 H68 B2 O2 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0789","0.0795","","","","","","1.059","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036204","6.57388","0.00009","24.3738","0.0003","10.48088","0.00015","90","","96.6403","0.0013","90","","1668.09","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H30 B O2 P -","- C15 H30 B O2 P -","- C60 H120 B4 O8 P4 -","4","2","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0351","0.0346","","","0.092","0.0926","","","","","","1.067","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036205","10.51018","0.00011","11.46665","0.00011","12.93223","0.00012","90","","90","","90","","1558.55","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O3 P -","- C15 H27 O3 P -","- C60 H108 O12 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0858","0.0864","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036206","6.5151","0.0001","10.6435","0.0002","11.8462","0.0003","90","","104.009","0.001","90","","797.02","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C34 H46 O6 P2 -","2","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.0559","0.0377","","","0.0816","0.0899","","","","","","1.059","","","","has coordinates","234390","2020-10-21","18:00:00",""
"4036207","6.6376","0.0002","9.3332","0.0003","29.571","0.001","90","","90","","90","","1831.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O4 P -","- C19 H25 O4 P -","- C76 H100 O16 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.1735","0.0531","","","0.1055","0.1326","","","","","","0.886","","","","has coordinates,has disorder","234390","2020-10-21","18:00:00",""
"4036208","27.352","0.004","28.721","0.006","8.0562","0.001","90","","90","","90","","6328.8","1.8","150","2","150","2","","","","","","","","2","I b a 2","I 2 -2c","45","tribenzodecacyclene","Benzo[1,2-a:3,4-a':5,6-a""]triaceanthrylene","","- C48 H24 -","- C48 H24 -","- C384 H192 -","8","1","","Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A","Tribenzodecacyclene and hexabenzodecacyclene.","The Journal of organic chemistry","2015","80","9","4824","4827","10.1021/acs.joc.5b00551","","","0.71073","MoKα","","0.064","0.0507","","","0.1235","0.1356","","","","","","1.032","","","","has coordinates","234392","2020-10-21","18:00:00",""
"4036209","5.837","0.0012","14.149","0.003","17.65","0.004","90","","90","","90","","1457.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-Mediated Cyclization of o-(1-Alkynyl)benzamides: Metal-Free Synthesis of 3-Hydroxy-2,3-dihydroisoquinoline-1,4-dione.","The Journal of organic chemistry","2015","80","10","5320","5328","10.1021/acs.joc.5b00576","","","0.71073","MoKα","","0.0539","0.0423","","","0.089","0.0946","","","","","","1.062","","","","has coordinates","234393","2020-10-21","18:00:00",""
"4036210","5.183","0.0001","12.7946","0.0002","26.0924","0.0003","90","","90","","90","","1730.3","0.05","150","","150","","","","","","","","Research School of Chemistry","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Zhang, Yiwen; Dlugosch, Michael; Jübermann, Martin; Banwell, Martin G.; Ward, Jas S.","Total syntheses of the resorcylic acid lactone neocosmosin A and its enantiomer.","The Journal of organic chemistry","2015","80","9","4828","4833","10.1021/acs.joc.5b00590","","","1.54184","CuKα","","0.0351","0.0332","","0.0867","0.0852","0.0867","","","","","","1.004","","","","has coordinates","234395","2020-10-21","18:00:00",""
"4036211","6.098","0.004","7.378","0.005","9.239","0.005","106.18","0.02","100.896","0.019","96.42","0.02","386","0.4","200","2","200","2","","","","","","","","3","P 1","P 1","1","acetal, structure 15","(3aS,3bR,7aS,8aR)-7a-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydro -3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-3b-ol","","- C14 H22 O8 -","- C14 H22 O8 -","- C14 H22 O8 -","1","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0848","0.0607","","","0.1485","0.1668","","","","","","0.971","","","","has coordinates","234396","2020-10-21","18:00:00",""
"4036212","10.6029","0.0015","8.4121","0.0011","13.0245","0.0017","90","","109.451","0.005","90","","1095.4","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","epoxide; Structure 10","(3aR,5S,6S,6aR)-6-benzyloxy-5- (benzyloxymethyl)-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-6,6a-dihydro-3aH-furo[2,3 -d][1,3]dioxole","","- C24 H28 O6 -","- C24 H28 O6 -","- C48 H56 O12 -","2","1","","Blade, Helen; Bradley, Derek; Diorazio, Louis; Evans, Timothy; Hayter, Barry R.; Howell, Gareth P.","Modular Synthesis of Constrained Ethyl (cEt) Purine and Pyrimidine Nucleosides.","The Journal of organic chemistry","2015","80","10","5337","5343","10.1021/acs.joc.5b00607","","","0.71073","","","0.0516","0.0379","","","0.1003","0.1165","","","","","","1.125","","","","has coordinates","234398","2020-10-21","18:00:00",""
"4036213","9.555","0.008","17.226","0.011","18.84","0.014","90","","98.07","0.013","90","","3070","4","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H11 B Cl F2 N5 O2 -","- C13.5 H11 B Cl F2 N5 O2 -","- C108 H88 B8 Cl8 F16 N40 O16 -","8","2","","Barbon, Stephanie M.; Staroverov, Viktor N.; Gilroy, Joe B.","Effect of Extended π Conjugation on the Spectroscopic and Electrochemical Properties of Boron Difluoride Formazanate Complexes.","The Journal of organic chemistry","2015","80","10","5226","5235","10.1021/acs.joc.5b00620","","","0.71073","MoKα","","0.0811","0.0588","","","0.173","0.1901","","","","","","1.025","","","","has coordinates","234399","2020-10-21","18:00:00",""
"4036214","10.845","0.003","11.246","0.002","15.472","0.003","90","","107.92","0.02","90","","1795.5","0.7","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Schuster, Christian; Julich-Gruner, Konstanze K; Schnitzler, Heinrich; Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total syntheses of murrayamine E, I, and K.","The Journal of organic chemistry","2015","80","11","5666","5673","10.1021/acs.joc.5b00630","","x-ray","0.71073","MoKα","","0.0913","0.049","","","0.101","0.1227","","","","","","1.07","","","","has coordinates","234401","2020-10-21","18:00:00",""
"4036215","10.0827","0.0005","15.8074","0.0008","19.5993","0.001","101.459","0.001","93.232","0.001","105.545","0.001","2929.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 F4 -","- C40 H26 F4 -","- C160 H104 F16 -","4","2","","Roche, Alex J.; Abboud, Khalil A.; Dolbier, Jr, William R","The Unexpected Formation of 9,9,10,10-Tetrafluoro-1,2,4,12-tetraphenyl[2.2]paracyclophan-1-ene.","The Journal of organic chemistry","2015","80","10","5355","5358","10.1021/acs.joc.5b00657","","","0.71073","MoKα","","0.0742","0.0407","","","0.0965","0.1054","","","","","","0.9","","","","has coordinates","234403","2020-10-21","18:00:00",""
"4036216","32.791","0.002","32.791","0.002","7.4776","0.0003","90","","90","","120","","6963.1","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C288 H360 O72 -","18","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.0974","0.0422","","","0.0865","0.1064","","","","","","0.985","","","","has coordinates","234404","2020-10-21","18:00:00",""
"4036217","8.169","0.0004","8.3603","0.0004","18.233","0.0009","90","","90","","90","","1245.23","0.11","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.04","0.0323","","","0.081","0.0866","","","","","","1.032","","","","has coordinates","234406","2020-10-21","18:00:00",""
"4036218","8.221","0.004","9.119","0.004","14.037","0.006","101.304","0.004","97.129","0.005","108.535","0.005","958.5","0.8","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C22 H22 N4 -","- C22 H22 N4 -","- C44 H44 N8 -","2","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.087","0.0593","","","0.1729","0.1891","","","","","","0.952","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036219","16.391","0.003","16.391","0.003","11.774","0.002","90","","90","","90","","3163.3","1","293","2","293","2","","","","","","","see text","5","P -4 21 c","P -4 2n","114","","","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C144 H120 F8 N16 O24 -","8","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.0393","0.0353","","","0.0816","0.0851","","","","","","1.113","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036220","17.736","0.008","11.698","0.005","18.495","0.008","90","","93.596","0.007","90","","3830","3","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Cl2 N4 O7 -","- C39 H40 Cl2 N4 O7 -","- C156 H160 Cl8 N16 O28 -","4","1","","Batchu, Harikrishna; Bhattacharyya, Soumya; Kant, Ruchir; Batra, Sanjay","Palladium-Catalyzed Chelation-Assisted Regioselective Oxidative Dehydrogenative Homocoupling/Ortho-Hydroxylation in N-Phenylpyrazoles.","The Journal of organic chemistry","2015","80","15","7360","7374","10.1021/acs.joc.5b00733","","","0.71075","MoKα","","0.1163","0.1008","","","0.2417","0.2536","","","","","","1.164","","","","has coordinates","234407","2020-10-21","18:00:00",""
"4036221","9.639","0.0014","11.5016","0.0015","11.5355","0.0017","62.617","0.008","79.921","0.011","66.237","0.009","1039.2","0.3","293","2","293","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H19 Cl F N O2 S -","- C23 H19 Cl F N O2 S -","- C46 H38 Cl2 F2 N2 O4 S2 -","2","1","","Ravi, Makthala; Chauhan, Parul; Kant, Ruchir; Shukla, Sanjeev K.; Yadav, Prem P.","Transition-Metal-Free C-3 Arylation of Quinoline-4-ones with Arylhydrazines.","The Journal of organic chemistry","2015","80","10","5369","5376","10.1021/acs.joc.5b00739","","","0.71075","MoKα","","0.0512","0.0421","","","0.1223","0.1279","","","","","","1.058","","","","has coordinates","234409","2020-10-21","18:00:00",""
"4036222","17.061","0.0005","17.2598","0.0007","23.1595","0.0006","90","","95.062","0.001","90","","6793.2","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C138 H168 F6 O44 P4 S2 Y2 -","- C114 H112 F6 O44 P4 S2 Y2 -","- C228 H224 F12 O88 P8 S4 Y4 -","2","1","","Deng, Yongming; Karunaratne, Chamini V.; Csatary, Erika; Tierney, David L.; Wheeler, Kraig; Wang, Hong","Chiral Bimetallic Catalysts Derived from Chiral Metal Phosphates: Enantioselective Three-Component Asymmetric Aza-Diels-Alder Reactions of Cyclic Ketones.","The Journal of organic chemistry","2015","80","16","7984","7993","10.1021/acs.joc.5b00895","","","1.54178","CuKα","","0.1205","0.1152","","","0.3054","0.3176","","","","","","1.484","","","","has coordinates,has disorder","234411","2020-10-21","18:00:00",""
"4036223","11.3709","0.0003","13.2507","0.0003","17.985","0.0004","90","","94.6808","0.0012","90","","2700.8","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl2 F N3 O5 -","- C29 H21 Cl2 F N3 O5 -","- C116 H84 Cl8 F4 N12 O20 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0638","0.0465","","","0.1113","0.1253","","","","","","1.007","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036224","8.2969","0.0016","10.088","0.002","15.55","0.003","107.405","0.005","90.731","0.005","93.016","0.005","1239.7","0.4","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N4 O4 -","- C22 H15 Br N4 O4 -","- C44 H30 Br2 N8 O8 -","2","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0767","0.0521","","","0.1292","0.1366","","","","","","1.073","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036225","13.0814","0.0004","14.4208","0.0005","14.7793","0.0005","70.052","0.002","80.005","0.002","72.616","0.002","2493.06","0.15","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N4 O4 S -","- C28 H18 N4 O4 S -","- C112 H72 N16 O16 S4 -","4","2","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.057","0.0443","","","0.1136","0.1197","","","","","","1.082","","","","has coordinates,has disorder","234413","2020-10-21","18:00:00",""
"4036226","24.07","0.0012","24.07","0.0012","23.369","0.0011","90","","90","","120","","11725.3","1","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H23 Br N4 O2 -","- C31 H23 Br N4 O2 -","- C558 H414 Br18 N72 O36 -","18","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0634","0.0464","","","0.1251","0.1313","","","","","","1.057","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036227","12.8254","0.0003","12.7608","0.0003","18.3146","0.0005","90","","102.422","0.001","90","","2927.24","0.13","100","2","100.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 Br N5 O2 -","- C31 H19 Br N5 O2 -","- C124 H76 Br4 N20 O8 -","4","1","","Xu, Zhigang; Martinez-Ariza, Guillermo; Cappelli, Alexandra P.; Roberts, Sue A.; Hulme, Christopher","(Z)-Stereoselective Synthesis of Mono- and Bis-heterocyclic Benzimidazol-2-ones via Cascade Processes Coupled with the Ugi Multicomponent Reaction.","The Journal of organic chemistry","2015","80","18","9007","9015","10.1021/acs.joc.5b00955","","","0.71073","MoKα","","0.0577","0.0395","","","0.1031","0.1095","","","","","","1.096","","","","has coordinates","234413","2020-10-21","18:00:00",""
"4036228","10.3326","0.0007","19.2076","0.0009","11.4445","0.0007","90","","105.976","0.006","90","","2183.6","0.2","223","0.1","223","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","","Cai, Zhong-Jian; Yang, Chao; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Regioselective C-H Acylation of Biaryl-2-amines.","The Journal of organic chemistry","2015","80","16","7928","7936","10.1021/acs.joc.5b00962","","","0.71073","MoKα","","0.0704","0.0488","","","0.1405","0.1596","","","","","","1.018","","","","has coordinates","234416","2020-10-21","18:00:00",""
"4036229","12.3918","0.0004","12.0736","0.0004","34.0914","0.0011","90","","94.29","0.001","90","","5086.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H60 O13 -","- C51 H60 O13 -","- C204 H240 O52 -","4","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1581","0.0713","","","0.2031","0.2326","","","","","","0.912","","","","has coordinates","234418","2020-10-21","18:00:00",""
"4036230","12.6946","0.0008","30.8143","0.0019","18.2906","0.0011","90","","93.275","0.002","90","","7143.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H134 F12 N2 O26 P2 -","- C114 H134 F12 N2 O26 P2 -","- C228 H268 F24 N4 O52 P4 -","2","0.5","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1489","0.0998","","","0.2943","0.3235","","","","","","1.078","","","","has coordinates","234419","2020-10-21","18:00:00",""
"4036231","16.259","0.002","17.706","0.003","37.855","0.006","90","","96.191","0.002","90","","10834","3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H70 N2 O14 -","- C57 H68 N2 O14 -","- C456 H544 N16 O112 -","8","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1684","0.0982","","","0.3084","0.3512","","","","","","1.071","","","","has coordinates,has disorder","234421","2020-10-21","18:00:00",""
"4036232","10.8366","0.0004","13.7308","0.0005","19.8398","0.0008","98.192","0.001","94.995","0.001","98.211","0.001","2874.55","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Cl3 N2 O13 -","- C58 H60 Cl3 N2 O13 -","- C116 H120 Cl6 N4 O26 -","2","1","","Hu, Wei-Bo; Xie, Chang-Dong; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Huo, Ji-Chuan; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Selectivity and Cooperativity in the Binding of Multiple Guests to a Pillar[5]arene-Crown Ether Fused Tricyclic Host.","The Journal of organic chemistry","2015","80","16","7994","8000","10.1021/acs.joc.5b01038","","","0.71073","MoKα","","0.1382","0.0949","","","0.2609","0.306","","","","","","1.037","","","","has coordinates","234424","2020-10-21","18:00:00",""
"4036233","9.1591","0.0006","10.9078","0.0006","13.7682","0.0009","86.365","0.005","73.505","0.005","73.351","0.005","1263.38","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 B F2 N3 -","- C32 H20 B F2 N3 -","- C64 H40 B2 F4 N6 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.0715","0.0462","","","0.1063","0.1235","","","","","","1.033","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036234","8.4067","0.0006","12.6497","0.0006","13.5043","0.0006","82.872","0.004","83.376","0.005","88.352","0.005","1415.31","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 B F2 N2 -","- C37 H25 B F2 N2 -","- C74 H50 B2 F4 N4 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso Alkynylated Tetraphenylethylene (TPE) and 2,3,3-Triphenylacrylonitrile (TPAN) Substituted BODIPYs.","The Journal of organic chemistry","2015","80","16","8018","8025","10.1021/acs.joc.5b01117","","","0.71073","MoKα","","0.07","0.0472","","","0.1088","0.1266","","","","","","1.054","","","","has coordinates","234425","2020-10-21","18:00:00",""
"4036235","14.4318","0.0004","14.4318","0.0004","5.3189","0.0002","90","","90","","90","","1107.8","0.06","90","0.5","90","0.5","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C9 H4 B Cl3 F2 N2 -","- C9 H4 B Cl3 F2 N2 -","- C36 H16 B4 Cl12 F8 N8 -","4","0.25","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0323","0.0285","","","0.0741","0.0763","","","","","","1.13","","","","has coordinates","234427","2020-10-21","18:00:00",""
"4036236","9.0674","0.0016","11.2143","0.0017","12.8518","0.0019","93.75","0.004","93.445","0.004","91.71","0.004","1300.9","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C32 H19 B Cl2 F2 N2 O -","- C32 H19 B Cl2 F2 N2 O -","- C64 H38 B2 Cl4 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.063","0.0427","","","0.1003","0.1101","","","","","","1.024","","","","has coordinates","234428","2020-10-21","18:00:00",""
"4036237","7.6639","0.0002","13.5236","0.0003","9.0732","0.0002","90","","101.227","0.001","90","","922.38","0.04","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 B Cl F2 N2 -","- C9 H6 B Cl F2 N2 -","- C36 H24 B4 Cl4 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0426","0.0318","","","0.084","0.0893","","","","","","1.064","","","","has coordinates","234430","2020-10-21","18:00:00",""
"4036238","7.677","0.003","10.992","0.004","11.053","0.001","74.562","0.011","76.37","0.02","84.892","0.015","873.4","0.5","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Cl4 F2 N2 O -","- C16 H9 B Cl4 F2 N2 O -","- C32 H18 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1468","0.0685","","","0.1163","0.1445","","","","","","1.07","","","","has coordinates","234431","2020-10-21","18:00:00",""
"4036239","13.191","0.002","17.593","0.003","22.536","0.005","90","","94.028","0.012","90","","5217","1.7","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 B Cl2 F2 N2 O3 -","- C30 H23 B Cl2 F2 N2 O3 -","- C240 H184 B8 Cl16 F16 N16 O24 -","8","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1148","0.0522","","","0.1104","0.1331","","","","","","0.993","","","","has coordinates","234433","2020-10-21","18:00:00",""
"4036240","7.6289","0.0006","8.1807","0.0007","11.2033","0.0009","68.596","0.002","86.853","0.002","63.378","0.002","576.98","0.08","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H3 B Cl4 F2 N2 -","- C9 H3 B Cl4 F2 N2 -","- C18 H6 B2 Cl8 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0584","0.0454","","","0.1212","0.1306","","","","","","1.055","","","","has coordinates","234434","2020-10-21","18:00:00",""
"4036241","9.4931","0.0004","9.6953","0.0004","13.8865","0.0006","100.657","0.003","94.187","0.002","94.041","0.002","1248.09","0.09","160","0.5","160","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 H2 B Cl5 F2 N2 -","- C9 H2 B Cl5 F2 N2 -","- C36 H8 B4 Cl20 F8 N8 -","4","2","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0631","0.0351","","","0.0686","0.0764","","","","","","1.018","","","","has coordinates","234436","2020-10-21","18:00:00",""
"4036242","9.8021","0.0004","10.0817","0.0004","10.865","0.0004","95.24","0.002","112.368","0.002","118.931","0.002","817.14","0.06","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C15 H7 B Cl4 F2 N2 O -","- C15 H7 B Cl4 F2 N2 O -","- C30 H14 B2 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0408","0.0317","","","0.081","0.0863","","","","","","1.034","","","","has coordinates","234437","2020-10-21","18:00:00",""
"4036243","24.743","0.002","16.398","0.002","18.7139","0.0019","90","","109.248","0.008","90","","7168.5","1.3","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 B F2 N2 O5 -","- C44 H37 B F2 N2 O5 -","- C352 H296 B8 F16 N16 O40 -","8","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","1.54184","CuKα","","0.0614","0.0416","","","0.1094","0.1237","","","","","","1.023","","","","has coordinates","234439","2020-10-21","18:00:00",""
"4036244","17.4371","0.0008","10.7905","0.0008","7.9425","0.0004","90","","95.817","0.004","90","","1486.73","0.15","90","0.5","90","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 B Cl4 F2 N2 S -","- C13 H5 B Cl4 F2 N2 S -","- C52 H20 B4 Cl16 F8 N8 S4 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0309","0.0259","","","0.0708","0.0739","","","","","","1.08","","","","has coordinates,has disorder","234441","2020-10-21","18:00:00",""
"4036245","10.411","0.003","15.479","0.004","28.81","0.008","78.515","0.01","89.442","0.01","89.434","0.009","4549","2","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H15 B Cl2 F2 N2 S3 -","- C24.5 H15 B Cl2 F2 N2 S3 -","- C196 H120 B8 Cl16 F16 N16 S24 -","8","4","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.1696","0.0879","","","0.1977","0.2447","","","","","","1.017","","","","has coordinates,has disorder","234443","2020-10-21","18:00:00",""
"4036246","20.337","0.002","10.788","0.001","13.697","0.002","90","","120.434","0.01","90","","2591","0.6","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 B F2 N2 S5 -","- C29 H17 B F2 N2 S5 -","- C116 H68 B4 F8 N8 S20 -","4","0.5","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0548","0.0407","","","0.1027","0.1117","","","","","","1.037","","","","has coordinates,has disorder","234445","2020-10-21","18:00:00",""
"4036247","5.5897","0.0004","16.686","0.0011","9.1104","0.0006","90","","97.632","0.003","90","","842.2","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O8 -","- C16 H22 O8 -","- C32 H44 O16 -","2","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0237","0.0224","","","0.0559","0.0565","","","","","","1.047","","","","has coordinates","234447","2020-10-21","18:00:00",""
"4036248","5.8884","0.0007","14.8186","0.0016","19.816","0.002","90","","90","","90","","1729.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22.25 O7.13 -","- C16 H22.26 O7.13 -","- C64 H89.04 O28.52 -","4","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0414","0.0307","","","0.0644","0.0675","","","","","","1.019","","","","has coordinates","234448","2020-10-21","18:00:00",""
"4036249","6.7849","0.0004","8.4596","0.0005","13.1987","0.0008","104.958","0.002","99.8443","0.0019","92.014","0.002","718.62","0.07","104","2","104","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C32 H40 O8 S2 -","2","1","","Lu, Ping; Herrmann, Aaron T.; Zakarian, Armen","Toward the Synthesis of Nuphar Sesquiterpene Thioalkaloids: Stereodivergent Rhodium-Catalyzed Synthesis of the Thiolane Subunit.","The Journal of organic chemistry","2015","80","15","7581","7589","10.1021/acs.joc.5b01177","","","0.71073","MoKα","","0.0388","0.0328","","","0.0828","0.0867","","","","","","0.926","","","","has coordinates","234449","2020-10-21","18:00:00",""
"4036250","8.9865","0.0004","19.5582","0.0008","11.7897","0.0004","90","","91.441","0.004","90","","2071.5","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C72 H120 N8 O16 -","4","1","","Le Jeune, Karel; Chevallier-Michaud, Sabine; Gatineau, David; Giordano, Laurent; Tenaglia, Alphonse; Clavier, Hervé","Preparation of Vinylcyclopropanes by Sodium Mediated Reductive Isomerization of Methylenecyclopropanes.","The Journal of organic chemistry","2015","80","17","8821","8829","10.1021/acs.joc.5b01205","","x-ray","1.54184","CuKα","","0.0938","0.0885","","","0.2391","0.2509","","","","","","1.147","","","","has coordinates","234451","2020-10-21","18:00:00",""
"4036251","14.439","0.006","16.616","0.006","15.497","0.006","90","","97.859","0.009","90","","3683","2","90","","90","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C42.85 H41.7 N6 O5 -","- C42.85 H41.7 N6 O5 -","- C171.4 H166.8 N24 O20 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Soluble Tetraaminotriptycene Precursors.","The Journal of organic chemistry","2015","80","16","8390","8397","10.1021/acs.joc.5b01221","","","0.71073","MoKα","","0.1001","0.0683","","0.1917","0.1689","0.1917","","","","","","0.9585","","","","has coordinates,has disorder","234453","2020-10-21","18:00:00",""
"4036252","8.1336","0.0008","16.8844","0.0017","25.54","0.003","90","","90","","90","","3507.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","","Sha, Feng; Tao, Yuan; Tang, Chen-Yu; Zhang, Fei; Wu, Xin-Yan","Construction of Benzo[c]carbazoles and Their Antitumor Derivatives through the Diels-Alder Reaction of 2-Alkenylindoles and Arynes.","The Journal of organic chemistry","2015","80","16","8122","8133","10.1021/acs.joc.5b01223","","","0.71073","MoKα","","0.0668","0.0506","","","0.1264","0.1408","","","","","","1.021","","","","has coordinates","234455","2020-10-21","18:00:00",""
"4036253","10.7088","0.0006","44.986","0.002","11.2096","0.0006","90","","91.109","0.003","90","","5399.2","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C110 H114 N9 O39 -","- C110 H114 N9 O39 -","- C220 H228 N18 O78 -","2","1","","Shao, Chang-Lun; Linington, Roger G.; Balunas, Marcy J.; Centeno, Argelis; Boudreau, Paul; Zhang, Chen; Engene, Niclas; Spadafora, Carmenza; Mutka, Tina S.; Kyle, Dennis E.; Gerwick, Lena; Wang, Chang-Yun; Gerwick, William H.","Bastimolide A, a Potent Antimalarial Polyhydroxy Macrolide from the Marine Cyanobacterium Okeania hirsuta.","The Journal of organic chemistry","2015","80","16","7849","7855","10.1021/acs.joc.5b01264","","","1.54178","CuKα","","0.1143","0.1129","","","0.2987","0.2996","","","","","","1.089","","","","has coordinates","234458","2020-10-21","18:00:00",""
"4036254","5.8748","0.0007","6.6516","0.0008","7.3831","0.0009","67.621","0.002","84.526","0.002","66.767","0.002","244.64","0.05","293","1","293","1","","","","","","","","3","P 1","P 1","1","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C11 H14 O3 -","1","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0386","0.0386","","","0.0941","0.0941","","","","","","1.115","","","","has coordinates","234460","2020-10-21","18:00:00",""
"4036255","8.064","0.001","8.364","0.001","18.272","0.003","90","","90","","90","","1232.4","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 I O2 -","- C12 H17 I O2 -","- C48 H68 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0302","0.0299","","","0.0653","0.0654","","","","","","1.261","","","","has coordinates","234462","2020-10-21","18:00:00",""
"4036256","6.706","0.001","7.429","0.001","11.243","0.002","95.326","0.002","93.482","0.002","92.823","0.002","555.82","0.15","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0851","0.081","","","0.1663","0.1686","","","","","","1.315","","","","has coordinates","234464","2020-10-21","18:00:00",""
"4036257","12.494","0.002","6.409","0.001","14.998","0.003","90","","109.238","0.004","90","","1133.9","0.3","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.1961","0.1553","","","0.2902","0.3103","","","","","","1.327","","","","has coordinates","234466","2020-10-21","18:00:00",""
"4036258","9.5484","0.0007","10.4166","0.0007","14.268","0.001","90","","97.373","0.001","90","","1407.39","0.17","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 I O2 -","- C13 H19 I O2 -","- C52 H76 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0558","0.0529","","","0.1031","0.1045","","","","","","1.213","","","","has coordinates","234467","2020-10-21","18:00:00",""
"4036259","16.1326","0.0013","19.4409","0.0015","26.943","0.002","90","","90","","90","","8450.2","1.1","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C372 H296 Cl16 N24 Ni8 O36 -","8","2","","Wang, Shuni; Zhou, Shengbin; Wang, Jiang; Nian, Yong; Kawashima, Aki; Moriwaki, Hiroki; Aceña, José L; Soloshonok, Vadim A.; Liu, Hong","Chemical Dynamic Thermodynamic Resolution and S/R Interconversion of Unprotected Unnatural Tailor-made α-Amino Acids.","The Journal of organic chemistry","2015","80","20","9817","9830","10.1021/acs.joc.5b01292","","","0.71073","MoKα","","0.1511","0.0658","","","0.132","0.1524","","","","","","0.88","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4036260","10.913","0.003","19.779","0.004","10.148","0.002","90","","117.533","0.011","90","","1942.4","0.8","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Guo, Biao; Zheng, Liyao; Zhang, Lei; Hua, Ruimao","Synthesis of Benzofulvene Derivatives from Diarylacetylenes via Pd(II)-Catalyzed Alkyne-Directed C(sp(2))-H Bond Activation.","The Journal of organic chemistry","2015","80","16","8430","8434","10.1021/acs.joc.5b01304","","","0.71073","MoKα","","0.0863","0.0469","","","0.0825","0.098","","","","","","1.003","","","","has coordinates","234472","2020-10-21","18:00:00",""
"4036261","8.5158","0.0007","6.0532","0.0005","11.8232","0.001","90","","95.954","0.003","90","","606.17","0.09","120","2","120","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0537","0.0531","","","0.1454","0.1471","","","","","","1.118","","","","has coordinates,has disorder","234474","2020-10-21","18:00:00",""
"4036262","7.3209","0.0002","6.0935","0.0001","26.7101","0.0006","90","","92.0063","0.0007","90","","1190.8","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0363","0.0358","","","0.093","0.0936","","","","","","1.081","","","","has coordinates,has disorder","234475","2020-10-21","18:00:00",""
"4036263","6.7876","0.0002","21.2855","0.0005","13.9033","0.0004","90","","94.6","0.0014","90","","2002.24","0.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Chen, Jun; Kilpatrick, Brenden; Oliver, Allen G.; Wulff, Jeremy E.","Expansion of Thiele's Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.","The Journal of organic chemistry","2015","80","18","8979","8989","10.1021/acs.joc.5b01332","","","1.54184","CuKα","","0.0428","0.0387","","","0.0968","0.0999","","","","","","1.026","","","","has coordinates","234476","2020-10-21","18:00:00",""
"4036264","15.633","0.004","24.88","0.006","17.612","0.005","90","","103.172","0.004","90","","6670","3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.25 H18.25 Cl1.91 F10 N4 O0.39 -","- C35.247 H18.247 Cl1.908 F10 N4 O0.389 -","- C281.976 H145.976 Cl15.264 F80 N32 O3.112 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.1324","0.0935","","","0.2767","0.3009","","","","","","1.057","","","","has coordinates,has disorder","234478","2020-10-21","18:00:00",""
"4036265","14.108","0.003","24.897","0.005","15.092","0.003","90","","114.461","0.003","90","","4825.2","1.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl4 F10 N4 O6 S2 -","- C36 H24 Cl4 F10 N4 O6 S2 -","- C144 H96 Cl16 F40 N16 O24 S8 -","4","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.113","0.0961","","","0.2547","0.2699","","","","","","1.016","","","","has coordinates,has disorder","234479","2020-10-21","18:00:00",""
"4036266","7.6644","0.0011","14.923","0.0006","16.6128","0.0015","68.279","0.011","87.205","0.018","75.555","0.017","1707.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H12 Cl6 F10 N4 Pd -","- C34 H12 Cl6 F10 N4 Pd -","- C68 H24 Cl12 F20 N8 Pd2 -","2","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0576","0.0553","","","0.1433","0.1452","","","","","","1.009","","","","has coordinates","234481","2020-10-21","18:00:00",""
"4036267","21.057","0.004","21.615","0.004","13.814","0.003","90","","104.023","0.005","90","","6100","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H19 F10 N4 Pd -","- C36 H19 F10 N4 Pd -","- C288 H152 F80 N32 Pd8 -","8","1","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0487","0.0433","","","0.1251","0.1292","","","","","","1.007","","","","has coordinates","234483","2020-10-21","18:00:00",""
"4036268","7.5903","0.0018","14.35","0.0016","16.671","0.005","66.46","0.02","86.21","0.03","80.53","0.02","1642","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","- C68 H32 Cl8 F20 N8 -","1","0.5","","Naoda, Koji; Mori, Hirotaka; Oh, Juwon; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","5,20-Di(pyridin-2-yl)-[28]hexaphyrin(1.1.1.1.1.1): A Stable Hückel Antiaromatic Hexaphyrin Stabilized by Intramolecular Hydrogen Bonding and Protonation-Induced Conformational Twist To Gain Möbius Aromaticity.","The Journal of organic chemistry","2015","80","23","11726","11733","10.1021/acs.joc.5b01348","","","1.54187","CuKα","","0.0729","0.07","","","0.2066","0.2122","","","","","","1.028","","","","has coordinates","234485","2020-10-21","18:00:00",""
"4036269","7.9798","0.0012","16.263","0.003","11.1573","0.0017","90","","101.434","0.0018","90","","1419.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 N O2 -","- C14 H14 Cl3 N O2 -","- C56 H56 Cl12 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0366","0.0288","","","0.067","0.0711","","","","","","1.022","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036270","11.1805","0.001","9.3123","0.0008","16.1492","0.0014","90","","100.881","0.001","90","","1651.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0427","0.036","","","0.0963","0.102","","","","","","1.03","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036271","14.3724","0.0017","15.465","0.0019","11.7888","0.0014","90","","90","","90","","2620.3","0.5","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H12 Cl3 N O2 -","- C11 H12 Cl3 N O2 -","- C88 H96 Cl24 N8 O16 -","8","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.024","0.0226","","","0.0588","0.0599","","","","","","1.023","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036272","10.143","0.0017","14.482","0.003","10.4728","0.0018","90","","114.874","0.002","90","","1395.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl4 N O2 -","- C11 H11 Cl4 N O2 -","- C44 H44 Cl16 N4 O8 -","4","1","","Sharma, Shikha; Rajale, Trideep; Unruh, Daniel K.; Birney, David M.","Competitive Pseudopericyclic [3,3]- and [3,5]-Sigmatropic Rearrangements of Trichloroacetimidates.","The Journal of organic chemistry","2015","80","23","11734","11743","10.1021/acs.joc.5b01355","","","0.71073","MoKα","","0.0282","0.026","","","0.0675","0.0688","","","","","","1.06","","","","has coordinates","234487","2020-10-21","18:00:00",""
"4036273","7.1795","0.0014","10.267","0.002","13.022","0.003","73.24","0.03","86.19","0.03","71.15","0.03","869.4","0.4","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C44 H30 Br2 N4 O2 -","2","1","","Ding, Zong-Cang; Tang, Hai-Tao; Li, Ren-Hao; Ju, Lu-Chuan; Zhan, Zhuang-Ping","Synthesis of 4-Arylidenepyrazolones by a Gold-Catalyzed Cyclization/Arylidene Group Transfer Cascade of N-Propioloyl Hydrazones.","The Journal of organic chemistry","2015","80","18","9307","9313","10.1021/acs.joc.5b01366","","","0.71073","MoKα","","0.1359","0.0962","","","0.2231","0.2897","","","","","","1.435","","","","has coordinates","234489","2020-10-21","18:00:00",""
"4036274","14.9074","0.0006","7.1186","0.0003","26.7266","0.0011","90","","90","","90","","2836.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C128 H72 N24 S16 -","8","1","","Mitra, Shubhanjan; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda","Metal-Free Thiocyanation of Imidazoheterocycles through Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2015","80","16","8275","8281","10.1021/acs.joc.5b01369","","","0.71073","MoKα","","0.0827","0.0642","","","0.2326","0.25","","","","","","2.003","","","","has coordinates","234491","2020-10-21","18:00:00",""
"4036275","5.6891","0.0005","10.2427","0.0009","15.0808","0.0013","107.955","0.001","91.44","0.002","94.341","0.002","832.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Cl3 N0 O3 S2 -","- C15 H11 Cl3 O3 S2 -","- C30 H22 Cl6 O6 S4 -","2","1","","Luo, Hongmei; Pan, Ling; Xu, Xianxiu; Liu, Qun","Friedel-Crafts Coupling of Electron-Deficient Benzoylacetones Tuned by Remote Electronic Effects.","The Journal of organic chemistry","2015","80","16","8282","8289","10.1021/acs.joc.5b01371","","","0.71073","MoKα","","0.0645","0.0531","","","0.1343","0.1493","","","","","","1.055","","","","has coordinates","234493","2020-10-21","18:00:00",""
"4036276","5.8738","0.0007","14.111","0.0017","21.502","0.003","90","","90","","90","","1782.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.042","0.0352","","","0.0798","0.0828","","","","","","1.001","","","","has coordinates","234495","2020-10-21","18:00:00",""
"4036277","7.9265","0.0014","10.5847","0.0019","23.895","0.004","90","","90","","90","","2004.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br N2 O3 -","- C21 H25 Br N2 O3 -","- C84 H100 Br4 N8 O12 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0383","0.0331","","","0.0773","0.0794","","","","","","1.004","","","","has coordinates","234497","2020-10-21","18:00:00",""
"4036278","6.7867","0.0004","7.9287","0.0005","33.718","0.002","90","","90","","90","","1814.36","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0446","0.0364","","","0.0826","0.086","","","","","","1.01","","","","has coordinates","234498","2020-10-21","18:00:00",""
"4036279","8.8195","0.0007","16.5259","0.0013","20.684","0.002","88.992","0.004","89.512","0.004","82.169","0.004","2986.1","0.4","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C32 H32 N3 O4.5 S3 -","- C32 H32 N2 O4.5 S3 -","- C128 H128 N8 O18 S12 -","4","4","","Morikawa, Takahiro; Harada, Shinji; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Synthesis of Hydrocarbazole from Siloxyvinylindole and Its Application to the Enantioselective Total Synthesis of (-)-Minovincine.","The Journal of organic chemistry","2015","80","17","8859","8867","10.1021/acs.joc.5b01393","","","1.54187","CuKα","","","0.1577","","","","0.4305","","","","","","1.082","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036280","8.0665","0.0005","16.2776","0.0008","32.7774","0.0016","90","","90","","90","","4303.8","0.4","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C176 H192 N16 O32 S16 -","8","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.068","","","","0.188","","","","","","1.108","","","","has coordinates","234502","2020-10-21","18:00:00",""
"4036281","12.9392","0.0006","8.2976","0.0006","19.8627","0.001","90","","107.489","0.0014","90","","2034","0.2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O4 S -","- C20 H28 N2 O4 S -","- C80 H112 N8 O16 S4 -","4","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.0494","","","","0.0851","","","","","","1.389","","","","has coordinates","234503","2020-10-21","18:00:00",""
"4036282","13.0271","0.0005","13.1056","0.0004","15.6355","0.0005","79.606","0.003","68.137","0.003","67.559","0.003","2287.54","0.15","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N3 O3 -","- C29 H24 F N3 O3 -","- C116 H96 F4 N12 O12 -","4","2","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.057","0.0403","","","0.0879","0.0968","","","","","","1.017","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036283","9.5387","0.0005","12.5979","0.0006","19.8057","0.0011","90","","90","","90","","2380","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C116 H96 Cl4 N12 O12 -","4","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0526","0.0391","","","0.0768","0.0828","","","","","","1.033","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036284","8.6262","0.0002","9.9045","0.0003","14.3555","0.0005","95.379","0.001","95.98","0.002","92.811","0.001","1212.32","0.06","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C58 H48 Cl2 N6 O6 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0459","0.0358","","","0.0854","0.0919","","","","","","1.03","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036285","8.865","0.0007","10.6628","0.0009","14.213","0.0011","109.553","0.008","100.777","0.007","102.741","0.007","1184.09","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0742","0.0472","","","0.0932","0.1044","","","","","","1.02","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036286","16.1648","0.0017","17.0273","0.0014","20.075","0.003","78.595","0.012","76.463","0.012","73.597","0.012","5101.8","1.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H80 N3 -","- C84 H74.6667 N4 -","- C252 H224 N12 -","3","1.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.1068","","","","0.3031","","","","","","1.09","","","","has coordinates","234507","2020-10-21","18:00:00",""
"4036287","9.739","0.003","12.21","0.003","20.31","0.005","98.441","0.003","100.946","0.004","96.794","0.004","2318.8","1.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl2 N6 -","- C106 H104 Cl4 N12 -","- C106 H104 Cl4 N12 -","1","0.5","","Terao, Jun; Ohsawa, Masami; Masai, Hiroshi; Kurashige, Yuki; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units.","The Journal of organic chemistry","2015","80","17","8874","8880","10.1021/acs.joc.5b01414","","","0.7107","MoKα","","","0.0875","","","","0.3071","","","","","","1.043","","","","has coordinates,has disorder","286245","2023-09-06","15:38:55",""
"4036288","14.3132","0.0002","6.5406","0.0001","22.9007","0.0003","90","","90.404","0.001","90","","2143.84","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0409","0.0367","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","234511","2020-10-21","18:00:00",""
"4036289","13.0236","0.0005","20.7843","0.0016","22.7086","0.0018","90","","90","","90","","6146.9","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N2 O5 S2 -","- C34 H35 N2 O5 S2 -","- C272 H280 N16 O40 S16 -","8","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","CuKα","","0.1652","0.0899","","","0.1732","0.2159","","","","","","0.976","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036290","5.3134","0.0002","8.1507","0.0002","12.0605","0.0004","90","","93.485","0.003","90","","521.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","","","0.0328","0.0306","","","0.073","0.0743","","","","","","1.08","","","","has coordinates","234515","2020-10-21","18:00:00",""
"4036291","9.9084","0.0006","10.3825","0.0007","17.9777","0.0011","106.418","0.0016","96.8036","0.0016","102.945","0.0016","1695.94","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4b in manuscript","","","- C33 H36 Cl3 N O9 -","- C33 H36 Cl3 N O9 -","- C66 H72 Cl6 N2 O18 -","2","1","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.0798","0.0553","","","0.1285","0.1423","","","","","","1.026","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036292","9.7517","0.0011","22.499","0.003","32.974","0.004","90","","90","","90","","7234.6","1.5","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4d in manuscript","","","- C36.5 H43.5 Cl1.5 N O9 -","- C36.5 H43.5 Cl1.5 N O9 -","- C292 H348 Cl12 N8 O72 -","8","2","","Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael","An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative.","The Journal of organic chemistry","2015","80","17","8881","8886","10.1021/acs.joc.5b01426","","","0.71073","MoKα","","0.1023","0.0771","","","0.2004","0.2191","","","","","","1.063","","","","has coordinates,has disorder","234518","2020-10-21","18:00:00",""
"4036293","8.7849","0.0007","11.44","0.0009","17.157","0.0014","90","","90","","90","","1724.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Br N2 O3 S -","- C15 H23 Br N2 O3 S -","- C60 H92 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0247","0.0246","","","0.0682","0.0684","","","","","","1.053","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036294","9.6663","0.0019","13.656","0.003","14.923","0.003","90","","90","","90","","1969.9","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br N2 O3 S -","- C18 H27 Br N2 O3 S -","- C72 H108 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0213","0.021","","","0.0516","0.0518","","","","","","1.044","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036295","12.5299","0.0008","12.5299","0.0008","53.989","0.004","90","","90","","120","","7340.6","0.9","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C22 H29 Cl2 F N2 O3 S -","- C22 H29 Cl2 F N2 O3 S -","- C264 H348 Cl24 F12 N24 O36 S12 -","12","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0607","0.0572","","","0.1443","0.1467","","","","","","1.05","","","","has coordinates,has disorder","234520","2020-10-21","18:00:00",""
"4036296","12.9062","0.001","13.2212","0.0011","22.5828","0.0018","90","","90","","90","","3853.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H24 Br Cl N2 O3 S -","- C15.5 H24 Br Cl N2 O3 S -","- C124 H192 Br8 Cl8 N16 O24 S8 -","8","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0252","0.0243","","","0.0615","0.0621","","","","","","1.045","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036297","10.0722","0.0015","11.2137","0.0016","13.464","0.002","90","","101.46","0.002","90","","1490.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 O2 S -","- C15 H19 Br N2 O2 S -","- C60 H76 Br4 N8 O8 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0279","0.0278","","","0.0744","0.0747","","","","","","1.074","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036298","12.5348","0.0004","14.0822","0.0005","18.0788","0.0006","90","","90","","90","","3191.23","0.19","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N O8 P S -","- C12 H16 N O8 P S -","- C96 H128 N8 O64 P8 S8 -","8","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0249","0.0241","","","0.0652","0.0658","","","","","","1.061","","","","has coordinates","234522","2020-10-21","18:00:00",""
"4036299","8.3695","0.0002","27.3023","0.0008","27.53","0.0008","90","","90","","90","","6290.8","0.3","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N O8 P S -","- C17 H26 N O8 P S -","- C204 H312 N12 O96 P12 S12 -","12","3","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0961","0.0586","","","0.119","0.1339","","","","","","1.04","","","","has coordinates","234524","2020-10-21","18:00:00",""
"4036300","9.5293","0.0004","15.7276","0.0006","10.3868","0.0004","90","","100.495","0.002","90","","1530.66","0.11","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 N O6 P S -","- C12 H18 N O6 P S -","- C48 H72 N4 O24 P4 S4 -","4","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0473","0.0392","","","0.0927","0.0975","","","","","","1.067","","","","has coordinates","234527","2020-10-21","18:00:00",""
"4036301","5.3049","0.0004","5.9648","0.0005","24.0989","0.0018","94.598","0.018","90.43","0.018","110.027","0.016","713.64","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","1-hydroxy-3-phenylurea","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0546","0.0383","","","0.0897","0.0962","","","","","","0.995","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036302","10.2998","0.0009","10.2998","0.0009","51.732","0.003","90","","90","","90","","5488","0.7","120","","120","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-((R)-1-Phenylethyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C240 H288 N32 O32 -","16","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0402","","","0.098","0.1041","","","","","","1.039","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036303","18.6391","0.0016","3.7176","0.0003","20.389","0.0016","90","","100.066","0.004","90","","1391.1","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Pyridinehydroxamic acid","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","","0.0704","0.0552","","","0.1451","0.1593","","","","","","1.044","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036304","7.6572","0.0006","9.1842","0.0008","15.6746","0.0012","90","","90","","90","","1102.32","0.15","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","0.5","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0415","","","0.111","0.1149","","","","","","1.081","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036305","10.0933","0.0006","8.9883","0.0005","12.7337","0.0008","90","","90","","90","","1155.22","0.12","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxamide","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0333","0.0321","","","0.0853","0.0869","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036306","7.2202","0.0003","10.5445","0.0005","25.028","0.0013","90","","90","","90","","1905.47","0.16","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-Hydroxy-3-(1-phenylethyl)urea","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0506","0.0397","","","0.0971","0.1035","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036307","13.713","0.001","5.8495","0.0005","14.8249","0.0012","90","","100.428","0.013","90","","1169.53","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)-2-phenyl-ethanone","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0806","0.0668","","","0.172","0.1847","","","","","","1.08","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036308","9.0358","0.0009","10.3716","0.0013","11.8962","0.0014","90","","108.091","0.01","90","","1059.7","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)metha-none","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0465","","","0.1252","0.1317","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036309","13.5078","0.0008","9.166","0.0005","19.8312","0.0013","90","","90","","90","","2455.4","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dimethyl-N-phenyl-3,6-dihydro-2H-1,2-oxazine-2-carbox-amide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.0426","","","0.1151","0.1258","","","","","","1.021","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036310","7.7458","0.0006","8.3388","0.0006","9.2703","0.0007","77.293","0.003","68.194","0.003","84.734","0.003","542.28","0.07","156","","156","","","","","","","","","4","P -1","-P 1","2","","(4,5-Dimethyl-3,6-dihydro-2H-1,2-oxazin-2-yl)(pyridin-2-yl)methanone","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C24 H28 N4 O4 -","2","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0607","0.0399","","","0.0924","0.101","","","","","","0.95","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036311","5.8418","0.0005","8.6844","0.0007","20.7247","0.0019","90","","91.658","0.015","90","","1050.98","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0493","","","0.1396","0.1506","","","","","","1.072","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036312","12.7936","0.0001","16.4968","0.0001","16.9867","0.0001","90","","90","","90","","3585.1","0.04","150","","150","","","","","","","","from U of Wollongong","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0326","0.0319","","0.0852","0.0847","0.0852","","","","","","1.0041","","","","has coordinates","234531","2020-10-21","18:00:00",""
"4036313","10.9621","0.0002","5.7224","0.0001","19.4829","0.0003","90","","92.8005","0.0013","90","","1220.69","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 O P -","- C14 H17 O P -","- C56 H68 O4 P4 -","4","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0364","0.035","","0.0944","0.093","0.0944","","","","","","1.0075","","","","has coordinates","234532","2020-10-21","18:00:00",""
"4036314","22.557","0.003","13.1345","0.0018","23.298","0.003","90","","112.701","0.004","90","","6367.9","1.5","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3a in manuscript","","","- C80 H86 -","- C80 H86 -","- C320 H344 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1498","0.0722","","","0.1502","0.1961","","","","","","1.011","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036315","18.7503","0.0015","11.6048","0.0009","36.709","0.003","90","","100.131","0.003","90","","7863.1","1.1","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C86 H100 -","- C86 H100 -","- C344 H400 -","4","1","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1325","0.0809","","","0.1855","0.2244","","","","","","1.082","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036316","17.898","0.002","25.162","0.003","20.571","0.003","90","","107.287","0.002","90","","8845.7","1.9","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","4e in manuscript","","","- C76 H64 Cl24 O12 -","- C76 H64 Cl24 O12 -","- C304 H256 Cl96 O48 -","4","0.5","","Reinhard, Dennis; Rominger, Frank; Mastalerz, Michael","Synthesis of Triphenylene-Based Triptycenes via Suzuki-Miyaura Cross-Coupling and Subsequent Scholl Reaction.","The Journal of organic chemistry","2015","80","18","9342","9348","10.1021/acs.joc.5b01520","","","0.71073","MoKα","","0.1466","0.0843","","","0.1994","0.2368","","","","","","1.016","","","","has coordinates,has disorder","234534","2020-10-21","18:00:00",""
"4036317","26.107","0.01","5.2005","0.0018","17.707","0.006","90","","108.06","0.03","90","","2285.6","1.5","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 O2 -","- C34 H18 O2 -","- C136 H72 O8 -","4","0.5","","Watanabe, Motonori; Doi, Yasutaka; Hagiwara, Hidehisa; Staykov, Aleksandar Tsekov; Ida, Shintaro; Matsumoto, Taisuke; Shinmyozu, Teruo; Ishihara, Tatsumi","Synthesis and Investigation of the Effect of Substitution on the Structure, Physical Properties, and Electrochemical Properties of Anthracenodifuran Derivatives.","The Journal of organic chemistry","2015","80","18","9159","9166","10.1021/acs.joc.5b01525","","","1.54187","CuKα","","0.0798","0.0437","","","0.0775","0.0821","","","","","","0.989","","","","has coordinates,has disorder","234536","2020-10-21","18:00:00",""
"4036318","10.7793","0.001","21.212","0.002","38.195","0.004","90","","90","","90","","8733.3","1.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Boc-(L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib)2-OMe","","- C73 H135 N13 O16 -","- C73 H135 N13 O16 -","- C292 H540 N52 O64 -","4","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0995","0.0983","","","0.1633","0.1636","","","","","","2.681","","","","has coordinates","234538","2020-10-21","18:00:00",""
"4036319","10.7549","0.0013","14.0615","0.0017","14.0682","0.0017","90.109","0.002","90.496","0.002","101.438","0.002","2085.2","0.4","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-Leu-Aib-(DLeu-Leu-Aib)2-OMe.butanone","","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","- C74 H136 N12 O16 -","1","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0422","0.0391","","","0.1006","0.1026","","","","","","1.031","","","","has coordinates","234539","2020-10-21","18:00:00",""
"4036320","9.054","0.002","17.784","0.005","12.497","0.003","90","","92.949","0.004","90","","2009.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl3 N2 O4 -","- C19 H17 Cl3 N2 O4 -","- C76 H68 Cl12 N8 O16 -","4","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0405","0.0352","","","0.0921","0.0948","","","","","","1.031","","","","has coordinates","234541","2020-10-21","18:00:00",""
"4036321","8.829","0.003","9.24","0.004","11.236","0.004","109.714","0.006","99.852","0.006","97.848","0.007","831.3","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl3 O6 -","- C15 H13 Cl3 O6 -","- C30 H26 Cl6 O12 -","2","1","","Ram, Ram N.; Soni, Vineet Kumar","Synthesis of α-Functionalized Trichloromethylcarbinols.","The Journal of organic chemistry","2015","80","17","8922","8928","10.1021/acs.joc.5b01547","","","0.71073","MoKα","","0.0998","0.086","","","0.1532","0.1588","","","","","","1.311","","","","has coordinates","234542","2020-10-21","18:00:00",""
"4036322","19.034","0.007","19.358","0.01","27.771","0.01","73.896","0.018","71.58","0.012","60.691","0.011","8372","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H228 Br2 N50 O55 -","- C136 H166 Br N50 O50 -","- C272 H332 Br2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1313","0.0674","","","0.1683","0.19","","","","","","1.026","","","","has coordinates","234544","2020-10-21","18:00:00",""
"4036323","12.9606","0.0008","22.3961","0.0013","31.1055","0.0018","104.965","0.002","95.413","0.002","99.865","0.002","8502.1","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H242 Br Cl2 K N50 O60 -","- C138 H164 Br Cl2 K N50 O50 -","- C276 H328 Br2 Cl4 K2 N100 O100 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.1925","0.0969","","","0.2548","0.2948","","","","","","1.016","","","","has coordinates","234546","2020-10-21","18:00:00",""
"4036324","12.53","0.01","14.783","0.012","22.267","0.018","94.868","0.009","92.011","0.009","104.466","0.008","3973","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Br2 N26 O18 -","- C74 H90 Br2 N26 O18 -","- C148 H180 Br4 N52 O36 -","2","1","","Lin, Rui-Lian; Li, Jia-Qing; Liu, Jing-Xin; Kaifer, Angel E.","The Binding Interactions between Cyclohexanocucurbit[6]uril and Alkyl Viologens Give Rise to a Range of Diverse Structures in the Solid and the Solution Phases.","The Journal of organic chemistry","2015","80","21","10505","10511","10.1021/acs.joc.5b01557","","","0.71073","MoKα","","0.2369","0.1075","","","0.2484","0.2892","","","","","","1.027","","","","has coordinates","234548","2020-10-21","18:00:00",""
"4036325","9.7402","0.0004","11.0764","0.0005","23.9164","0.0011","90","","90","","90","","2580.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 -","- C32 H28 Cl N3 -","- C128 H112 Cl4 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0775","0.0652","","","0.1989","0.2081","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036326","10.6357","0.00016","10.82044","0.00018","26.4828","0.0005","90","","91.872","0.0015","90","","3046.09","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 N3 O3 -","- C35 H35 N3 O3 -","- C140 H140 N12 O12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0692","0.0609","","","0.1743","0.1844","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036327","10.1193","0.0013","29.068","0.002","10.5161","0.001","90","","111.963","0.013","90","","2868.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N3 O -","- C35 H31 N3 O -","- C140 H124 N12 O4 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0599","0.0516","","","0.1391","0.1493","","","","","","1.029","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036328","10.9488","0.0003","11.2504","0.0003","20.0504","0.0005","90","","94.903","0.002","90","","2460.74","0.11","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Gervais, Anais; Lazarski, Kiel E.; Porco, Jr, John A","Divergent Total Syntheses of Rhodomyrtosones A and B.","The Journal of organic chemistry","2015","80","19","9584","9591","10.1021/acs.joc.5b01570","","","1.54178","CuKα","","0.0904","0.0669","","","0.202","0.2215","","","","","","1.056","","","","has coordinates,has disorder","234555","2020-10-21","18:00:00",""
"4036329","26.293","0.003","26.293","0.003","10.119","0.002","90","","90","","120","","6058.3","1.5","123","1","123","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C324 H324 N36 -","18","1","","Yella, Ramesh; Gottlieb, Hugo E.; Hoz, Shmaryahu","A [2 + 3] Reductive Cyclodimerization of Quinoline by SmI2.","The Journal of organic chemistry","2015","80","17","8929","8932","10.1021/acs.joc.5b01572","","","0.71073","MoKα","","0.1227","0.121","","","0.2358","0.2372","","","","","","1.282","","","","has coordinates,has disorder","234557","2020-10-21","18:00:00",""
"4036330","5.5042","0.0002","15.9784","0.0008","25.4579","0.0012","90","","90","","90","","2238.98","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F N O3 S -","- C23 H30 F N O3 S -","- C92 H120 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","1.54178","CuKα","","0.1004","0.061","","","0.1209","0.1431","","","","","","0.984","","","","has coordinates","234559","2020-10-21","18:00:00",""
"4036331","9.2139","0.0008","10.6559","0.0009","19.9578","0.0016","90","","90","","90","","1959.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl F N O3 S -","- C17 H25 Cl F N O3 S -","- C68 H100 Cl4 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","0.71073","MoKα","","0.092","0.0517","","","0.0888","0.1008","","","","","","0.967","","","","has coordinates","234561","2020-10-21","18:00:00",""
"4036332","7.9217","0.0015","20.462","0.006","9.881","0.002","90","","100.377","0.018","90","","1575.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-5-Cyclopropyl-3-[(4-fluorophenyl)(methylamino)methylidene]- 6-nitro-1-benzofuran-2(3H)-one","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C76 H60 F4 N8 O16 -","4","1","","Bowman, Roy K.; Bullock, Kae M.; Copley, Royston C. B.; Deschamps, Nicole M.; McClure, Michael S.; Powers, Jeremiah D.; Wolters, Andy M.; Wu, Lianming; Xie, Shiping","Conversion of a Benzofuran Ester to an Amide through an Enamine Lactone Pathway: Synthesis of HCV Polymerase Inhibitor GSK852A.","The Journal of organic chemistry","2015","80","19","9610","9619","10.1021/acs.joc.5b01598","","","1.54178","CuKα","","0.1609","0.0601","","","0.0791","0.1176","","","","","","0.97","","","","has coordinates","234562","2020-10-21","18:00:00",""
"4036333","12.0888","0.0008","5.8043","0.0004","15.2224","0.001","90","","108.199","0.002","90","","1014.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.0529","0.044","","","0.1135","0.119","","","","","","1.079","","","","has coordinates","234564","2020-10-21","18:00:00",""
"4036334","10.1052","0.001","12.0211","0.001","12.7419","0.0012","115.415","0.003","100.821","0.003","105.614","0.003","1262","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.1218","0.0645","","","0.1313","0.1518","","","","","","1.045","","","","has coordinates","234565","2020-10-21","18:00:00",""
"4036335","8.3504","0.0006","15.777","0.0011","8.8718","0.0006","90","","104.976","0.002","90","","1129.11","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Sigalov, Mark; Shainyan, Bagrat; Chipanina, Nina; Oznobikhina, Larisa; Strashnikova, Natalia; Sterkhova, Irina","Molecular Structure and Photoinduced Intramolecular Hydrogen Bonding in 2-Pyrrolylmethylidene Cycloalkanones.","The Journal of organic chemistry","2015","80","21","10521","10535","10.1021/acs.joc.5b01604","","","0.71073","MoKα","","0.106","0.06","","","0.1351","0.1521","","","","","","1.068","","","","has coordinates","234566","2020-10-21","18:00:00",""
"4036336","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234568","2020-10-21","18:00:00",""
"4036337","8.2262","0.0003","13.4475","0.0005","8.5887","0.0005","90","","104.637","0.005","90","","919.26","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C44 H36 O4 S2 -","2","1","","Huang, Lisha; Li, Jiangtao; Zhao, Yan; Ye, Xinyi; Liu, Yang; Yan, Lin; Tan, Choon-Hong; Liu, Hongjun; Jiang, Zhiyong","Chiral Bicyclic Guanidine-Catalyzed Enantioselective Sulfenylation of Oxindoles and Benzofuran-2(3H)-ones.","The Journal of organic chemistry","2015","80","17","8933","8941","10.1021/acs.joc.5b01606","","","1.54184","CuKα","","0.0401","0.0357","","","0.0892","0.094","","","","","","1.061","","","","has coordinates","234569","2020-10-21","18:00:00",""
"4036338","9.4706","0.0002","7.5261","0.0001","14.8394","0.0004","90","","101.149","0.0008","90","","1037.74","0.04","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 F3 N O6 S -","- C20 H18 F3 N O6 S -","- C40 H36 F6 N2 O12 S2 -","2","1","","Zaghi, Anna; Bernardi, Tatiana; Bertolasi, Valerio; Bortolini, Olga; Massi, Alessandro; De Risi, Carmela","One-Pot, Four-Step Organocatalytic Asymmetric Synthesis of Functionalized Nitrocyclopropanes.","The Journal of organic chemistry","2015","80","18","9176","9184","10.1021/acs.joc.5b01607","","","0.71073","MoKα","","0.0503","0.0376","","","0.0848","0.0922","","","","","","1.028","","","","has coordinates","234571","2020-10-21","18:00:00",""
"4036339","9.9358","0.0002","14.1582","0.0003","15.964","0.0003","90","","90","","90","","2245.7","0.08","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Zhao, Jia-Jia; Zhang, Yu-Chen; Xu, Meng-Meng; Tang, Man; Shi, Feng","Catalytic Chemo-, E/Z-, and Enantioselective Cyclizations of o-Hydroxybenzyl Alcohols with Dimedone-Derived Enaminones.","The Journal of organic chemistry","2015","80","20","10016","10024","10.1021/acs.joc.5b01613","","","1.54178","CuKα","","0.0363","0.0358","","","0.0952","0.0957","","","","","","1.072","","","","has coordinates","234573","2020-10-21","18:00:00",""
"4036340","41.33","0.1","10.25","0.02","11.98","0.06","90","","97.7","0.4","90","","5029","3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 S2 Si -","- C52 H72 S2 Si -","- C208 H288 S8 Si4 -","4","1","","Chen, Chih-Wei; Fan, Kunzeng; Chen, Chih-Hsien; Huang, Shou-Ling; Liu, Yi-Hung; Lim, Tsong-Shin; Wang, Guan-Wu; Luh, Tien-Yau","Stereoselective Iterative Convergent Synthesis of Z-Oligodiacetylenes from Propargylic Dithioacetals.","The Journal of organic chemistry","2015","80","17","8772","8781","10.1021/acs.joc.5b01626","","","1.54178","CuKα","","0.054","0.0506","","","0.1597","0.163","","","","","","1.147","","","","has coordinates","234574","2020-10-21","18:00:00",""
"4036341","12.5145","0.0008","15.6544","0.001","9.2215","0.0005","90","","91.271","0.005","90","","1806.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Hao, Xin-Hua; Wang, Jia; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Mediated Tandem Reaction of Propargylic Alcohols with Hydroxylamine Hydrochloride To Give α,β-Unsaturated Amides and Alkenyl Nitriles.","The Journal of organic chemistry","2015","80","18","9200","9207","10.1021/acs.joc.5b01633","","","0.71073","MoKα","","0.1682","0.1061","","","0.2961","0.3586","","","","","","1.073","","","","has coordinates,has disorder","234576","2020-10-21","18:00:00",""
"4036342","9.173","0.0015","11.6089","0.0019","13.862","0.002","111.106","0.002","90.784","0.003","95.671","0.003","1368.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N3 S -","- C15 H10 Cl N3 S -","- C60 H40 Cl4 N12 S4 -","4","2","","Yang, Daoshan; Yan, Kelu; Wei, Wei; Li, Guoqing; Lu, Shenglei; Zhao, Caixia; Tian, Laijin; Wang, Hua","Catalyst-Free Regioselective C-3 Thiocyanation of Imidazopyridines.","The Journal of organic chemistry","2015","80","21","11073","11079","10.1021/acs.joc.5b01637","","","0.71073","MoKα","","0.0725","0.0525","","","0.1231","0.1332","","","","","","1.026","","","","has coordinates","234577","2020-10-21","18:00:00",""
"4036343","8.033","0.002","10.739","0.003","18.778","0.005","90","","90","","90","","1619.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan","Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides.","The Journal of organic chemistry","2015","80","20","10353","10358","10.1021/acs.joc.5b01641","","","0.71073","MoKα","","0.0383","0.035","","","0.0842","0.0873","","","","","","1.057","","","","has coordinates","234579","2020-10-21","18:00:00",""
"4036344","7.6216","0.0009","15.6106","0.0019","18.751","0.002","90","","97.596","0.002","90","","2211.4","0.4","93","2","93.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CF3_anthracene_dimer_cistrans","","- C30 H20 F6 -","- C30 H19.939 F6 -","- C120 H79.756 F24 -","4","1","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0821","0.0518","","","0.1158","0.1291","","","","","","1.04","","","","has coordinates,has disorder","234581","2020-10-21","18:00:00",""
"4036345","8.9617","","18.2627","","27.926","","90","","90","","90","","4570.5","","93.15","","93.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C240 H160 F48 -","8","2","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.053","0.041","","","0.1126","0.124","","","","","","0.8334","","","","has coordinates","234582","2020-10-21","18:00:00",""
"4036346","11.1233","0.0013","16.569","0.002","11.7812","0.0014","90","","92.882","0.002","90","","2168.6","0.4","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C120 H80 F24 -","4","0.5","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.0443","0.0406","","","0.1079","0.112","","","","","","1.045","","","","has coordinates","234584","2020-10-21","18:00:00",""
"4036347","4.9357","0.0007","22.117","0.003","27.42","0.004","90","","90","","90","","2993.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O5 -","- C27 H39 N6 O5 -","- C108 H156 N24 O20 -","4","1","","Duttagupta, Indranil; Misra, Debojyoti; Bhunya, Sourav; Paul, Ankan; Sinha, Surajit","Cis-Trans Conformational Analysis of δ-Azaproline in Peptides.","The Journal of organic chemistry","2015","80","21","10585","10604","10.1021/acs.joc.5b01668","","","0.71073","MoKα","","0.1853","0.0904","","","0.2001","0.2387","","","","","","0.982","","","","has coordinates,has disorder","234586","2020-10-21","18:00:00",""
"4036348","14.625","0.003","6.3084","0.0014","14.588","0.003","90","","105.522","0.005","90","","1296.8","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","1","","Mercalli, Valentina; Massarotti, Alberto; Varese, Monica; Giustiniano, Mariateresa; Meneghetti, Fiorella; Novellino, Ettore; Tron, Gian Cesare","Multicomponent Reaction of Z-Chlorooximes, Isocyanides, and Hydroxylamines as Hypernucleophilic Traps. A One-Pot Route to Aminodioximes and Their Transformation into 5-Amino-1,2,4-oxadiazoles by Mitsunobu-Beckmann Rearrangement.","The Journal of organic chemistry","2015","80","19","9652","9661","10.1021/acs.joc.5b01676","","x-ray","0.71073","MoKα","","0.0939","0.0558","","","0.1349","0.1611","","","","","","1.078","","","","has coordinates","234588","2020-10-21","18:00:00",""
"4036349","10.5311","0.0009","14.0448","0.0012","15.9503","0.0014","90","","108.442","0.002","90","","2238","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 S -","- C28 H22 O2 S -","- C112 H88 O8 S4 -","4","1","","Yang, Zheng; Hao, Wen-Juan; Wang, Shu-Liang; Zhang, Jin-Peng; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Synthesis of Allenyl Sulfones via a TBHP/TBAI-Mediated Reaction of Propargyl Alcohols with Sulfonyl Hydrazides.","The Journal of organic chemistry","2015","80","18","9224","9230","10.1021/acs.joc.5b01684","","","0.71073","MoKα","","0.1371","0.0496","","","0.0508","0.0588","","","","","","0.925","","","","has coordinates","234590","2020-10-21","18:00:00",""
"4036350","10.2963","0.0009","13.5576","0.0012","17.0707","0.0014","104.48","0.003","106.81","0.003","90.286","0.003","2201","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 B2 N2 -","- C30 H22 B2 N2 -","- C120 H88 B8 N8 -","4","2","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.1186","0.0728","","","0.1885","0.2156","","","","","","1.035","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036351","10.4796","0.0017","14.933","0.003","11.2274","0.0018","90","","112.972","0.005","90","","1617.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B N O S -","- C18 H16 B N O S -","- C72 H64 B4 N4 O4 S4 -","4","1","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0544","0.0399","","","0.0981","0.1086","","","","","","1.029","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036352","26.563","0.002","5.5274","0.0005","20.585","0.003","90","","129.396","0.002","90","","2335.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 B2 N2 S2 -","- C30 H20 B2 N2 S2 -","- C120 H80 B8 N8 S8 -","4","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0573","0.0362","","","0.0867","0.0988","","","","","","1.007","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036353","12.0682","0.0004","10.3044","0.0003","15.0172","0.0005","90","","105.288","0.001","90","","1801.39","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 B2 N2 O2 S2 -","- C42 H38 B2 N2 O2 S2 -","- C84 H76 B4 N4 O4 S4 -","2","0.5","","Wang, Xinyang; Zhang, Fan; Gao, Jianhua; Fu, Yubin; Zhao, Wuxue; Tang, Ruizhi; Zhang, Wanzheng; Zhuang, Xiaodong; Feng, Xinliang","Synthesis and Properties of C(2h)-Symmetric BN-Heteroacenes Tailored through Aromatic Central Cores.","The Journal of organic chemistry","2015","80","20","10127","10133","10.1021/acs.joc.5b01718","","","0.71073","MoKα","","0.0492","0.0435","","","0.1253","0.135","","","","","","1.066","","","","has coordinates","234592","2020-10-21","18:00:00",""
"4036354","9.6831","0.0003","14.5775","0.0005","14.0503","0.0004","90","","93.9397","0.0008","90","","1978.59","0.11","98","","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Cu N2 -","- C23 H26 Cl Cu N2 -","- C92 H104 Cl4 Cu4 N8 -","4","1","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","A Bicyclic N-Heterocyclic Carbene as a Bulky but Accessible Ligand: Application to the Copper-Catalyzed Borylations of Aryl Halides.","The Journal of organic chemistry","2015","80","19","9671","9681","10.1021/acs.joc.5b01721","","","0.71075","MoKα","","0.0695","0.0688","","","0.1864","0.1869","","","","","","1.125","","","","has coordinates","234593","2020-10-21","18:00:00",""
"4036355","19.89","0.003","19.89","0.003","6.3216","0.0013","90","","90","","90","","2500.9","0.7","173.15","","173.15","","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- C61 H53 Cl3 N12 -","- C61 H53 Cl3 N12 -","- C122 H106 Cl6 N24 -","2","0.25","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0587","0.0573","","","0.1457","0.1468","","","","","","1.13","","","","has coordinates","234596","2020-10-21","18:00:00",""
"4036356","17.774","0.005","11.314","0.003","11.548","0.003","90","","106.667","0.004","90","","2224.7","1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N8 -","- C26 H24 N8 -","- C104 H96 N32 -","4","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1103","0.0854","","","0.2158","0.2293","","","","","","1.385","","","","has coordinates","234597","2020-10-21","18:00:00",""
"4036357","10.07","0.003","10.403","0.003","12.774","0.003","70.851","0.007","79.601","0.009","88.998","0.011","1242.1","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N6 O4 -","- C30 H26 N6 O4 -","- C60 H52 N12 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0675","0.0613","","","0.1468","0.1509","","","","","","1.13","","","","has coordinates","234598","2020-10-21","18:00:00",""
"4036358","9.641","0.003","11.263","0.004","13.731","0.005","82.779","0.012","83.587","0.014","81.73","0.011","1457.1","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cl3 N8 O4 -","- C29 H25 Cl3 N8 O4 -","- C58 H50 Cl6 N16 O8 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.0736","0.0674","","","0.1602","0.1653","","","","","","1.121","","","","has coordinates,has disorder","234600","2020-10-21","18:00:00",""
"4036359","8.9573","0.0009","10.2459","0.0009","13.728","0.0014","108.56","0.009","91.146","0.008","96.441","0.008","1184.8","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C28 H26 N6 O2 -","- C56 H52 N12 O4 -","2","1","","Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang","Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages.","The Journal of organic chemistry","2015","80","18","9272","9278","10.1021/acs.joc.5b01722","","","0.71073","MoKα","","0.1147","0.0589","","","0.1132","0.1435","","","","","","1.073","","","","has coordinates","234601","2020-10-21","18:00:00",""
"4036360","8.84","0.02","12.09","0.03","13.05","0.03","77.73","0.03","79.03","0.03","84.98","0.03","1336","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0652","0.0515","","","0.202","0.2345","","","","","","0.964","","","","has coordinates","234603","2020-10-21","18:00:00",""
"4036361","9.485","0.008","12.135","0.01","12.436","0.01","61.752","0.009","74.897","0.01","86.481","0.01","1214.1","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C58 H60 N4 O4 -","2","1","","Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian","Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.","The Journal of organic chemistry","2015","80","21","11100","11107","10.1021/acs.joc.5b01724","","","0.71073","MoKα","","0.0554","0.044","","","0.112","0.1182","","","","","","1.375","","","","has coordinates","234604","2020-10-21","18:00:00",""
"4036362","14.4873","0.0003","8.7725","0.0002","15.6803","0.0011","90","","107.542","0.008","90","","1900.13","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","1.54187","CuKα","","0.0531","0.0434","","","0.1134","0.1421","","","","","","1.135","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036363","15.926","0.002","11.464","0.001","11.398","0.001","90","","104.242","0.002","90","","2017","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine","Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.","The Journal of organic chemistry","2015","80","20","10119","10126","10.1021/acs.joc.5b01727","","","0.71073","MoKα","","0.0642","0.0428","","","0.1085","0.1217","","","","","","1.042","","","","has coordinates","234606","2020-10-21","18:00:00",""
"4036364","6.0142","0.0008","8.9088","0.0011","26.237","0.003","90","","94.181","0.002","90","","1402","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Goutham, Kommuru; Ashok Kumar, Desamala; Suresh, Surisetti; Sridhar, Balasubramanian; Narender, Ravirala; Karunakar, Galla V.","Gold-Catalyzed Intramolecular Cyclization of N-Propargylic β-Enaminones for the Synthesis of 1,4-Oxazepine Derivatives.","The Journal of organic chemistry","2015","80","21","11162","11168","10.1021/acs.joc.5b01733","","","0.71073","MoKα","","0.0778","0.046","","","0.1044","0.121","","","","","","1.007","","","","has coordinates","234608","2020-10-21","18:00:00",""
"4036365","14.031","0.006","7.662","0.003","18.392","0.008","90","","110.325","0.008","90","","1854.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ligand","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Jadhav, Santosh D.; Bakshi, Debanjan; Singh, Anand","Visible Light Mediated Organocatalytic Activation of Ethyl Bromofluoroacetate: Coupling with Indoles and Anilines.","The Journal of organic chemistry","2015","80","20","10187","10196","10.1021/acs.joc.5b01736","","","0.71073","MoKα","","0.0898","0.0606","","","0.1761","0.2124","","","","","","1.063","","","","has coordinates","234610","2020-10-21","18:00:00",""
"4036367","8.1242","0.001","5.5478","0.0007","21.829","0.003","90","","92.466","0.005","90","","983","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O4 -","- C23 H18 Cl N O4 -","- C46 H36 Cl2 N2 O8 -","2","1","","Saha, Prasenjit; Biswas, Arnab; Molleti, Nagaraju; Singh, Vinod K.","Enantioselective Synthesis of Highly Substituted Chromans via the Oxa-Michael-Michael Cascade Reaction with a Bifunctional Organocatalyst.","The Journal of organic chemistry","2015","80","21","11115","11122","10.1021/acs.joc.5b01751","","","0.71073","MoKα","","0.0618","0.0395","","","0.1056","0.1219","","","","","","0.842","","","","has coordinates","234615","2020-10-21","18:00:00",""
"4036368","9.588","0.0003","12.774","0.0003","21.6395","0.0007","90","","90","","90","","2650.34","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N3 O7 -","- C27 H30 N3 O7 -","- C108 H120 N12 O28 -","4","1","","Yin, Chengkai; Lin, Lili; Zhang, Dong; Feng, Juhua; Liu, Xiaohua; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of Methyleneindolinones with N,N'-Cyclic Azomethine Imines Catalyzed by a N,N'-Dioxide-Mg(OTf)2 Complex.","The Journal of organic chemistry","2015","80","19","9691","9699","10.1021/acs.joc.5b01760","","x-ray","1.54184","CuKα","","0.0531","0.0513","","","0.1366","0.1405","","","","","","1.131","","","","has coordinates","234616","2020-10-21","18:00:00",""
"4036369","8.6835","0.0001","10.0878","0.0002","27.4865","0.0004","90","","90","","90","","2407.75","0.07","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl2 N O P Pd S -","- C24 H26 Cl2 N O P Pd S -","- C96 H104 Cl8 N4 O4 P4 Pd4 S4 -","4","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.022","0.0203","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036370","16.7993","0.0002","9.8937","0.0001","22.8314","0.0003","90","","100.574","0.0011","90","","3730.3","0.08","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C71 H63 Cl13 N2 O2 P2 Pd2 S2 -","- C142 H126 Cl26 N4 O4 P4 Pd4 S4 -","2","0.5","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","mokα","","0.0176","0.0168","","","0.0396","0.04","","","","","","1.042","","","","has coordinates,has disorder","234618","2020-10-21","18:00:00",""
"4036371","9.1192","0.0002","15.7386","0.0002","11.5249","0.0002","90","","106.157","0.002","90","","1588.76","0.05","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H34 Cl4 Fe N O P Pd -","- C31 H34 Cl4 Fe N O P Pd -","- C62 H68 Cl8 Fe2 N2 O2 P2 Pd2 -","2","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.0194","0.0186","","","0.0406","0.0411","","","","","","1.055","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036372","9.65882","0.00008","10.60526","0.00009","27.9871","0.0002","90","","97.2543","0.0007","90","","2843.89","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H78 Fe2 N2 O4 -","- C67 H78 Fe2 N2 O4 -","- C134 H156 Fe4 N4 O8 -","2","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0301","0.027","","","0.0627","0.0646","","","","","","1.029","","","","has coordinates,has disorder","234620","2020-10-21","18:00:00",""
"4036373","7.46927","0.00006","19.6221","0.0002","20.6504","0.0002","90","","90","","90","","3026.58","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe N O2 Si -","- C34 H41 Fe N O2 Si -","- C136 H164 Fe4 N4 O8 Si4 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0247","0.0236","","","0.0634","0.0641","","","","","","1.061","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036374","17.2354","0.0002","25.5309","0.0003","16.9029","0.0002","90","","90","","90","","7437.87","0.15","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C74.5 H94 Fe4 Li4 N4 O8 -","- C72 H88 Fe4 Li4 N4 O8 -","- C288 H352 Fe16 Li16 N16 O32 -","4","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0355","0.0312","","","0.0712","0.073","","","","","","1.061","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4036375","9.4054","0.0001","10.8382","0.0002","28.0924","0.0004","90","","97.196","0.001","90","","2841.12","0.07","240","2","240","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C63 H68 Cl2 Fe2 N2 O4 -","- C62 H66 Fe2 N2 O4 -","- C124 H132 Fe4 N4 O8 -","2","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0358","0.0327","","","0.0938","0.0962","","","","","","1.126","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036376","22.5647","0.0003","9.7136","0.0002","15.1484","0.0002","90","","104.989","0.002","90","","3207.32","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H41 Fe3 N O2 -","- C39 H41 Fe3 N O2 -","- C156 H164 Fe12 N4 O8 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0402","0.0361","","","0.0821","0.0852","","","","","","1.037","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036377","8.32646","0.00006","10.47455","0.00007","13.76824","0.00009","110.587","0.0006","96.9805","0.0005","91.5538","0.0005","1112.64","0.014","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","2","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","1.54184","CuKα","","0.0317","0.0308","","","0.082","0.0831","","","","","","1.035","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036378","9.54492","0.00006","12.68954","0.00007","19.9983","0.0001","90","","90","","90","","2422.21","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0277","0.0266","","","0.0678","0.0686","","","","","","1.037","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036379","9.51079","0.00004","9.51079","0.00004","44.3094","0.0002","90","","90","","120","","3471.04","0.03","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H33 N3 O2 -","- C26 H33 N3 O2 -","- C156 H198 N18 O12 -","6","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0251","0.0248","","","0.0647","0.0651","","","","","","1.035","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036380","9.86627","0.00006","10.19647","0.00008","13.1369","0.0001","112.441","0.0008","90.0964","0.0006","91.9641","0.0006","1220.63","0.017","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","2","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0267","0.0257","","","0.0638","0.0647","","","","","","1.023","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036381","8.4077","0.0001","17.5482","0.0003","9.456","0.0002","90","","94.439","0.002","90","","1390.95","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H32 Cl2 Fe N3 O2 -","- C30 H32 Cl2 Fe N3 O2 -","- C60 H64 Cl4 Fe2 N6 O4 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0298","0.0271","","","0.0559","0.0575","","","","","","1.036","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036382","9.9185","0.0008","10.6832","0.0009","14.5573","0.0012","90","","94.336","0.001","90","","1538.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl4 N3 O2 Zn -","- C28 H37 Cl4 N3 O2 Zn -","- C56 H74 Cl8 N6 O4 Zn2 -","2","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.039","0.0366","","","0.0945","0.0962","","","","","","1.044","","","","has coordinates,has disorder","234622","2020-10-21","18:00:00",""
"4036383","9.3141","0.0002","11.2722","0.0002","26.2759","0.0004","90","","90","","90","","2758.72","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl2 N3 O2 Zn -","- C27 H35 Cl2 N3 O2 Zn -","- C108 H140 Cl8 N12 O8 Zn4 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0275","0.0247","","","0.049","0.0502","","","","","","1.04","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036384","10.214","0.005","15.8","0.005","14.488","0.005","90","0.005","105.811","0.005","90","0.005","2249.6","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1033","0.0618","","","0.1534","0.1809","","","","","","1.047","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036385","29.035","0.005","9.629","0.005","20.038","0.005","90","0.005","121.711","0.005","90","0.005","4766","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cl4 O12 -","- C52 H52 Cl4 O12 -","- C208 H208 Cl16 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0861","0.0528","","","0.1206","0.1396","","","","","","1.025","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036386","19.478","0.003","13.91","0.002","21.979","0.003","90","","112.681","0.003","90","","5494.4","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.33 H42.67 O8 -","- C45.3333 H42.6667 O8 -","- C272 H256 O48 -","6","1.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1514","0.0764","","","0.1994","0.2922","","","","","","1.028","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036387","9.872","0.002","12.077","0.003","16.125","0.004","90","","90","","90","","1922.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1021","0.0629","","","0.1317","0.1711","","","","","","1.081","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036388","7.968","0.002","20.772","0.006","26.086","0.008","90","","90","","90","","4318","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H56 O12 -","- C52 H56 O12 -","- C208 H224 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1614","0.0776","","","0.1775","0.2233","","","","","","1.01","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036389","12.61","0.005","10.614","0.005","15.843","0.005","90","0.005","95.485","0.005","90","0.005","2110.8","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71069","MoKα","","0.0874","0.0568","","","0.1361","0.1575","","","","","","1.032","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036390","7.992","0.005","9.923","0.005","12.384","0.005","82.119","0.005","86.351","0.005","83.885","0.005","966.1","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.0895","0.0604","","","0.1383","0.1673","","","","","","1.049","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036391","8.018","0.005","9.654","0.005","14.715","0.005","81.337","0.005","80.762","0.005","69.641","0.005","1048.5","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1034","0.0732","","","0.1969","0.2441","","","","","","1.076","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036392","16.482","0.0011","9.0409","0.0006","22.9016","0.0015","90","","106.472","0.002","90","","3272.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","2","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1581","0.0857","","","0.1762","0.2084","","","","","","1.015","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4036393","12.5302","0.0011","13.0867","0.0011","22.9933","0.0019","90","","90","","90","","3770.4","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H55 O6 -","- C42 H55 O6 -","- C168 H220 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2321","0.0727","","","0.1188","0.1821","","","","","","0.954","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036394","14.06","0.007","9.757","0.005","15.785","0.008","90","","96.018","0.013","90","","2153.5","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H54 F2 O6 -","- C42 H54 F2 O6 -","- C84 H108 F4 O12 -","2","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2005","0.0759","","","0.168","0.2022","","","","","","0.859","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036395","5.5809","0.0003","14.442","0.0007","16.1693","0.0007","90","","90","","90","","1303.24","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0396","0.0324","","","0.0741","0.0784","","","","","","1.031","","","","has coordinates","234627","2020-10-21","18:00:00",""
"4036396","11.97","0.0009","7.4348","0.0007","29.213","0.002","90","","90","","90","","2599.8","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0569","0.0398","","","0.0982","0.1115","","","","","","1.051","","","","has coordinates","234629","2020-10-21","18:00:00",""
"4036397","43.875","0.012","8.776","0.002","19.789","0.005","90","","98.921","0.005","90","","7528","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C400 H288 O32 -","16","2","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.1529","0.0778","","","0.1485","0.1963","","","","","","1.107","","","","has coordinates","234631","2020-10-21","18:00:00",""
"4036398","13.417","0.002","19.553","0.003","9.7821","0.0016","90","","108.595","0.003","90","","2432.3","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O2 -","- C29 H32 O2 -","- C116 H128 O8 -","4","1","","Yuan, Zhenbo; Fang, Xinxin; Li, Xuanyi; Wu, Jie; Yao, Hequan; Lin, Aijun","1,6-Conjugated Addition-Mediated [2+1] Annulation: Approach to Spiro[2.5]octa-4,7-dien-6-one.","The Journal of organic chemistry","2015","80","21","11123","11130","10.1021/acs.joc.5b01793","","","0.71073","MoKα","","0.081","0.0467","","","0.1239","0.147","","","","","","1.019","","","","has coordinates","234633","2020-10-21","18:00:00",""
"4036399","13.239","0.003","15.838","0.003","17.467","0.003","90.102","0.001","106.346","0.004","112.778","0.006","3214.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N8 O12 S2 -","- C54 H54 N8 O12 S2 -","- C108 H108 N16 O24 S4 -","2","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0973","0.0702","","","0.1869","0.2015","","","","","","1.099","","","","has coordinates","234635","2020-10-21","18:00:00",""
"4036400","16.284","0.003","7.5128","0.0015","19.09","0.004","90","","108.77","0.03","90","","2211.2","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O5 S -","- C24 H22 N4 O5 S -","- C96 H88 N16 O20 S4 -","4","1","","Zhao, Hong-Wu; Tian, Ting; Li, Bo; Yang, Zhao; Pang, Hai-Liang; Meng, Wei; Song, Xiu-Qing; Chen, Xiao-Qin","Diastereoselective Synthesis of Dispirobarbiturates through Et3N-Catalyzed [3 + 2] Cycloaddition of Barbiturate-Based Olefins with 3-Isothiocyanato Oxindoles.","The Journal of organic chemistry","2015","80","20","10380","10385","10.1021/acs.joc.5b01810","","","0.71073","MoKα","","0.0601","0.0501","","","0.1325","0.1423","","","","","","1.046","","","","has coordinates","234637","2020-10-21","18:00:00",""
"4036401","9.96","0.002","18.65","0.004","28.449","0.005","90","","90","","90","","5284.5","1.8","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H30.5 Cl1.5 N2 O3 -","- C27.5 H30.5 Cl1.5 N2 O3 -","- C220 H244 Cl12 N16 O24 -","8","2","","Attaba, Nassilia; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective NHC-Catalyzed Redox [4 + 2]-Hetero-Diels-Alder Reactions Using α,β-Unsaturated Trichloromethyl Ketones as Amide Equivalents.","The Journal of organic chemistry","2015","80","19","9728","9739","10.1021/acs.joc.5b01820","","","1.54187","CuKα","","0.0791","0.0741","","","0.2054","0.212","","","","","","1.066","","","","has coordinates","234639","2020-10-21","18:00:00",""
"4036402","5.0223","0.0018","11.561","0.004","16.488","0.006","90","","96.509","0.006","90","","951.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","04083z","","","- C5 H6 Cl N O4 S2 -","- C5 H6 Cl N O4 S2 -","- C20 H24 Cl4 N4 O16 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.03","0.0255","","","0.0683","0.0718","","","","","","1.057","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036403","19.338","0.006","9.106","0.002","21.687","0.011","90","","118.47","0.03","90","","3357","2","172","2","172","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","031026z","","","- C14 H18 N2 O4 S2 -","- C14 H18 N2 O4 S2 -","- C112 H144 N16 O32 S16 -","8","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.1171","0.0574","","","0.1224","0.147","","","","","","1.006","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036404","4.862","0.0008","11.891","0.002","17.893","0.003","90","","93.661","0.003","90","","1032.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","04109","","","- C6 H9 N O5 S2 -","- C6 H9 N O5 S2 -","- C24 H36 N4 O20 S8 -","4","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","0.71073","MoKα","","0.0416","0.0318","","","0.0793","0.0858","","","","","","1.034","","","","has coordinates,has disorder","234641","2020-10-21","18:00:00",""
"4036405","7.2854","0.0003","8.4243","0.0003","12.9967","0.0005","100.849","0.001","94.925","0.001","113.418","0.001","707.36","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","15097a","","","- C12 H14 N2 O4 S2 -","- C12 H14 N2 O4 S2 -","- C24 H28 N4 O8 S4 -","2","1","","Barany, George; Britton, Doyle; Chen, Lin; Hammer, Robert P.; Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G","Unexpectedly Stable (Chlorocarbonyl)(N-ethoxycarbonylcarbamoyl)disulfane, and Related Compounds That Model the Zumach-Weiss-Kühle (ZWK) Reaction for Synthesis of 1,2,4-Dithiazolidine-3,5-diones.","The Journal of organic chemistry","2015","80","22","11313","11321","10.1021/acs.joc.5b01826","","","1.54178","CuKα","","0.0327","0.0313","","","0.0813","0.0828","","","","","","1.043","","","","has coordinates","234641","2020-10-21","18:00:00",""
"4036406","22.1075","0.001","7.7997","0.0003","22.3762","0.001","90","","92.119","0.002","90","","3855.7","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H15 Br F3 N O3 -","- C20 H15 Br F3 N O3 -","- C160 H120 Br8 F24 N8 O24 -","8","2","","Zhao, Mei-Xin; Zhu, Hui-Kai; Dai, Tong-Lei; Shi, Min","Cinchona Alkaloid Squaramide-Catalyzed Asymmetric Michael Addition of α-Aryl Isocyanoacetates to β-Trifluoromethylated Enones and Its Applications in the Synthesis of Chiral β-Trifluoromethylated Pyrrolines.","The Journal of organic chemistry","2015","80","22","11330","11338","10.1021/acs.joc.5b01829","","","0.71073","MoKα","","0.0457","0.0359","","","0.0746","0.0788","","","","","","0.996","","","","has coordinates","234642","2020-10-21","18:00:00",""
"4036407","15.334","0.003","6.3606","0.0013","23.307","0.005","90","","90","","90","","2273.2","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C88 H96 I8 N8 O16 -","8","1","","Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming","Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.","The Journal of organic chemistry","2015","80","22","11339","11350","10.1021/acs.joc.5b01832","","","0.71073","MoKα","","0.0474","0.0382","","","0.0857","0.0911","","","","","","1.101","","","","has coordinates,has disorder","234644","2020-10-21","18:00:00",""
"4036408","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","234646","2020-10-21","18:00:00",""
"4036409","6.2753","0.0002","14.5021","0.0004","36.3418","0.0011","90","","90","","90","","3307.29","0.17","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.074","0.0512","","","0.1119","0.1236","","","","","","1.011","","","","has coordinates","234648","2020-10-21","18:00:00",""
"4036410","8.1042","0.0004","11.0238","0.0005","21.4504","0.001","90","","90","","90","","1916.36","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0351","0.0326","","","0.0842","0.0864","","","","","","1.052","","","","has coordinates","234649","2020-10-21","18:00:00",""
"4036411","39.6144","0.0015","6.5116","0.0002","13.7635","0.0005","90","","95.754","0.002","90","","3532.4","0.2","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C152 H224 O40 -","8","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0479","0.0386","","","0.0957","0.1016","","","","","","1.028","","","","has coordinates","234651","2020-10-21","18:00:00",""
"4036412","11.075","0.002","10.596","0.002","17.27","0.006","90","","122.43","0.02","90","","1710.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O3 -","- C20 H17 Cl O3 -","- C80 H68 Cl4 O12 -","4","1","","Guo, Hao; Xing, Fen; Du, Guang-Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin","N-Heterocyclic Carbene-Catalyzed Diastereoselective Vinylogous Michael Addition Reaction of γ-Substituted Deconjugated Butenolides.","The Journal of organic chemistry","2015","80","24","12606","12613","10.1021/acs.joc.5b01845","","","0.71073","MoKα","","0.1973","0.0965","","","0.139","0.1751","","","","","","1.086","","","","has coordinates","234652","2020-10-21","18:00:00",""
"4036413","12.9443","0.0008","10.34","0.0006","21.8826","0.0013","90","","96.624","0.003","90","","2909.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","0.1166","0.0739","","","0.1831","0.2278","","","","","","1.071","","","","has coordinates","234654","2020-10-21","18:00:00",""
"4036414","16.4246","0.0005","11.9941","0.0004","17.9328","0.0005","90","","90","","90","","3532.73","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","","0.0453","","","0.1201","0.1402","","","","","","1.007","","","","has coordinates","234655","2020-10-21","18:00:00",""
"4036416","19.3149","0.0011","4.7459","0.0003","18.9269","0.0011","90","","118.336","0.003","90","","1527.08","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phenyl-5H-benzo[d]benzofuro[3,2-b]azepine","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Gai, Rafaela; Back, Davi F.; Zeni, Gilson","Potassium tert-Butoxide-Catalyzed Synthesis of Benzofuroazepines via Cyclization of (2-Alkynylbenzyl)oxy Nitriles.","The Journal of organic chemistry","2015","80","20","10278","10287","10.1021/acs.joc.5b01884","","","0.71073","MoKα","","0.07","0.0405","","","0.0879","0.1018","","","","","","1.03","","","","has coordinates","234658","2020-10-21","18:00:00",""
"4036417","10.0862","0.0011","16.0872","0.0018","23.252","0.003","74.012","0.004","83.444","0.004","84.65","0.004","3595.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H75 N5 O5 Zn -","- C87 H75 N5 O5 Zn -","- C174 H150 N10 O10 Zn2 -","2","1","","Jinadasa, R. G. Waruna; Fang, Yuanyuan; Kumar, Siddhartha; Osinski, Allen J.; Jiang, Xiaoqin; Ziegler, Christopher J.; Kadish, Karl M.; Wang, Hong","β-Functionalized Push-Pull opp-Dibenzoporphyrins.","The Journal of organic chemistry","2015","80","24","12076","12087","10.1021/acs.joc.5b01906","","","1.54178","CuKα","","0.0678","0.0649","","","0.1826","0.1857","","","","","","1.048","","","","has coordinates","234660","2020-10-21","18:00:00",""
"4036418","15.2394","0.0007","20.1577","0.0012","14.1744","0.0007","90","","90","","90","","4354.3","0.4","295","2","295","2","","","","","","","Synthesis as described","5","P c a 21","P 2c -2ac","29","","8,10-Dimethyl-2,4-diphenyl[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C22 H18 Cl N5 O4 -","- C22 H18 Cl N5 O4 -","- C176 H144 Cl8 N40 O32 -","8","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.1062","0.0488","","","0.086","0.1001","","","","","","0.779","","","","has coordinates","234661","2020-10-21","18:00:00",""
"4036419","6.08","0.002","11.239","0.004","16.514","0.007","90","","93.52","0.02","90","","1126.3","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4,9,9-Tetramethyl-11-oxo-12-phenyl-7,8,9,10,11,12- hexahydropyrimido[1',2':1,5][1,2,4]triazolo[3,4-b]quinazolin-5-ium perchlorate","","- C22 H24 Cl N5 O5 -","- C22 H24 Cl N5 O5 -","- C44 H48 Cl2 N10 O10 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","0.71073","MoKα","","0.0581","0.0463","","","0.1096","0.1173","","","","","","0.885","","","","has coordinates","234663","2020-10-21","18:00:00",""
"4036420","10.1218","0.0004","11.7847","0.0005","17.5742","0.0007","108.518","0.003","90.912","0.003","110.463","0.003","1843.21","0.14","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","8,10-Dimethyl-2,4-diphenyl-3,4-dihydro-2H- [1,2,4]triazolo[1,5-a:4,3-a']dipyrimidine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","2","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.077","0.052","","","0.1161","0.1239","","","","","","0.865","","","","has coordinates","234665","2020-10-21","18:00:00",""
"4036421","6.358","0.003","11.396","0.005","16.064","0.006","90","","97.12","0.02","90","","1155","0.9","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","9-(Ethoxycarbonyl)-2,3,4,8-tetramethyl-10-phenyl-7,10- dihydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium perchlorate","","- C21 H24 Cl N5 O6 -","- C21 H24 Cl N5 O6 -","- C42 H48 Cl2 N10 O12 -","2","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.5418","CuKα","","0.0399","0.0376","","","0.104","0.1064","","","","","","1.005","","","","has coordinates","234666","2020-10-21","18:00:00",""
"4036422","35.671","0.008","11.8593","0.0017","11.2791","0.0016","90","","90","","90","","4771.4","1.4","295","2","295","2","","","","","","","Synthesis as described","5","P c c n","-P 2ab 2ac","56","","10,10-Dimethyl-8-oxo-7-phenyl-7,8,9,10,11,12-hexahydropyrimido[1',2':2,3] [1,2,4]triazolo[5,1-b]quinazolin-6-ium perchlorate","","- C20 H20 Cl N5 O5 -","- C20 H20 Cl N5 O5 -","- C160 H160 Cl8 N40 O40 -","8","1","","Pyatakov, Dmitry A.; Sokolov, Andrey N.; Astakhov, Alexander V.; Chernenko, Andrey Yu; Fakhrutdinov, Artem N.; Rybakov, Victor B.; Chernyshev, Vladimir V.; Chernyshev, Victor M.","Diversity Oriented Synthesis of Polycyclic Heterocycles through the Condensation of 2-Amino[1,2,4]triazolo[1,5-a]pyrimidines with 1,3-Diketones.","The Journal of organic chemistry","2015","80","21","10694","10709","10.1021/acs.joc.5b01908","","","1.54186","CuKα","","0.0869","0.0432","","","0.0955","0.1125","","","","","","0.893","","","","has coordinates","234667","2020-10-21","18:00:00",""
"4036423","9.9945","0.0003","12.2392","0.0005","13.0852","0.0004","90","","90","","90","","1600.64","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0605","0.056","","","0.1501","0.1541","","","","","","1.099","","","","has coordinates","234669","2020-10-21","18:00:00",""
"4036424","7.1026","0.0003","10.6355","0.0005","15.9122","0.0006","90","","90","","90","","1202","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0476","0.044","","","0.1102","0.1121","","","","","","1.005","","","","has coordinates","234670","2020-10-21","18:00:00",""
"4036425","16.2307","0.0004","8.9399","0.0002","10.0149","0.0003","90","","92.635","0.002","90","","1451.63","0.07","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0293","0.0276","","","0.0684","0.0695","","","","","","1.054","","","","has coordinates","234672","2020-10-21","18:00:00",""
"4036426","11.188","0.004","21.229","0.008","7.164","0.003","90","","90","","90","","1701.5","1.1","173.15","","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Li, Ming; Kong, Xiang-Jing; Wen, Li-Rong","Yb(OTf)3-Mediated Access to Furans from β-Ketothioamides via Eschenmoser Sulfide Contraction Reaction.","The Journal of organic chemistry","2015","80","24","11999","12005","10.1021/acs.joc.5b01924","","","0.71073","MoKα","","0.1109","0.0857","","","0.1288","0.142","","","","","","1.104","","","","has coordinates","234674","2020-10-21","18:00:00",""
"4036427","9.5132","0.0009","13.7101","0.0012","21.3394","0.0019","90","","90","","90","","2783.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Huang, You-ming; Zheng, Chang-wu; Pan, Lu; Jin, Qiao-wen; Zhao, Gang","Palladium(II)-Catalyzed Formal [3 + 2] Cycloaddition of Aziridines with 3-Substituted Indoles: Synthesis of Enantioenriched Pyrroloindolines.","The Journal of organic chemistry","2015","80","21","10710","10718","10.1021/acs.joc.5b01931","","","0.71073","MoKα","","0.064","0.0384","","","0.0782","0.0864","","","","","","0.972","","","","has coordinates","234676","2020-10-21","18:00:00",""
"4036428","12.649","0.004","11.438","0.003","14.333","0.004","90","","91.207","0.005","90","","2073.2","1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18.67 Cl N3 O2.34 -","- C25 H18 Cl N3 O2.336 -","- C100 H72 Cl4 N12 O9.344 -","4","1","","Li, Jun-Hua; Feng, Ting-Fan; Du, Da-Ming","Construction of Spirocyclopropane-Linked Heterocycles Containing Both Pyrazolones and Oxindoles through Michael/Alkylation Cascade Reactions.","The Journal of organic chemistry","2015","80","22","11369","11377","10.1021/acs.joc.5b01940","","","0.71073","MoKα","","0.0856","0.0666","","","0.1642","0.1787","","","","","","1.003","","","","has coordinates","234678","2020-10-21","18:00:00",""
"4036429","11.3083","0.0006","7.5075","0.0004","30.7521","0.0018","90","","90","","90","","2610.8","0.2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Chen, Jijun; Shao, Ying; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Metal-Free Coupling of 2-Vinylphenols and Carboxylic Acids: An Access to 3-Acyloxy-2,3-dihydrobenzofurans.","The Journal of organic chemistry","2015","80","21","10734","10741","10.1021/acs.joc.5b01941","","","0.71073","MoKα","","0.0956","0.0563","","","0.1135","0.1273","","","","","","1.071","","","","has coordinates","234680","2020-10-21","18:00:00",""
"4036430","10.159","0.011","10.402","0.01","11.754","0.013","99.353","0.014","107.006","0.016","92.428","0.016","1167","2","193.1","","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl N2 O S -","- C28 H21 Cl N2 O S -","- C56 H42 Cl2 N4 O2 S2 -","2","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0883","0.057","","","0.1478","0.1744","","","","","","1.034","","","","has coordinates","234682","2020-10-21","18:00:00",""
"4036431","12.807","0.004","8.392","0.002","21.506","0.007","90","","104.549","0.004","90","","2237.3","1.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.096","0.0579","","","0.1579","0.2117","","","","","","1.07","","","","has coordinates","234683","2020-10-21","18:00:00",""
"4036432","9.624","0.003","24.158","0.008","10.334","0.003","90","","90","","90","","2402.6","1.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H30 N2 S -","- C31 H30 N2 S -","- C124 H120 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0999","0.0648","","","0.1061","0.1194","","","","","","1.082","","","","has coordinates","234684","2020-10-21","18:00:00",""
"4036433","11.19","0.003","16.745","0.004","13.133","0.003","90","","96.887","0.004","90","","2443.1","1","193.1","","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.099","0.0646","","","0.126","0.1411","","","","","","1.078","","","","has coordinates","234686","2020-10-21","18:00:00",""
"4036434","13.164","0.005","18.507","0.007","18.469","0.007","90","","107.362","0.005","90","","4295","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N3 S -","- C27 H21 N3 S -","- C216 H168 N24 S8 -","8","2","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.1393","0.0901","","","0.1917","0.2327","","","","","","1.16","","","","has coordinates","234687","2020-10-21","18:00:00",""
"4036435","10.1218","0.0002","22.246","0.0003","12.1236","0.0002","90","","107.125","0.0008","90","","2608.83","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 S -","- C31 H30 N4 S -","- C124 H120 N16 S4 -","4","1","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.0405","0.0375","","","0.0974","0.1001","","","","","","1.047","","","","has coordinates","234690","2020-10-21","18:00:00",""
"4036436","6.6821","0.0003","9.196","0.0004","15.8865","0.0006","96.246","0.004","100.362","0.003","110.893","0.003","881.11","0.07","191","2","191","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H16 N2 O6 -","- C21 H16 N2 O6 -","- C42 H32 N4 O12 -","2","2","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.1188","0.0611","","","0.1109","0.1342","","","","","","1.383","","","","has coordinates","234692","2020-10-21","18:00:00",""
"4036437","13.0454","0.0003","5.641","0.0001","15.4322","0.0003","90","","94.035","0.001","90","","1132.83","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0286","0.0279","","","0.0654","0.0659","","","","","","1.926","","","","has coordinates","234693","2020-10-21","18:00:00",""
"4036438","13.1669","0.0004","6.0551","0.0002","13.8168","0.0004","90","","94.548","0.002","90","","1098.1","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0386","0.0355","","","0.079","0.08","","","","","","1.82","","","","has coordinates","234695","2020-10-21","18:00:00",""
"4036439","9.367","0.01","9.367","0.01","49.29","0.09","90","","90","","120","","3745","9","164","2","164","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C26 H26 N2 O8 -","- C26 H26 N2 O8 -","- C156 H156 N12 O48 -","6","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.121","0.099","","","0.1474","0.1607","","","","","","1.188","","","","has coordinates","234697","2020-10-21","18:00:00",""
"4036440","13.6204","0.0003","5.6215","0.0001","17.7068","0.0004","90","","112.213","0.001","90","","1255.14","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Cl2 N2 O6 -","- C28 H22 Cl2 N2 O6 -","- C56 H44 Cl4 N4 O12 -","2","1","","Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek","Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.","The Journal of organic chemistry","2015","80","24","12038","12046","10.1021/acs.joc.5b01979","","","1.54178","CuKα","","0.0244","0.0242","","","0.063","0.0632","","","","","","1.055","","","","has coordinates,has disorder","234698","2020-10-21","18:00:00",""
"4036441","8.0182","0.0001","14.4498","0.0002","16.8318","0.0002","90","","100.291","0.0017","90","","1918.78","0.04","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 F2 N O3 P -","- C19 H22 F2 N O3 P -","- C76 H88 F8 N4 O12 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.0527","0.044","","","0.116","0.122","","","","","","1.062","","","","has coordinates,has disorder","234699","2020-10-21","18:00:00",""
"4036442","11.8026","0.0002","11.7519","0.0002","17.7173","0.0003","90","","98.8047","0.0017","90","","2428.48","0.07","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Br Cl3 N2 O P -","- C25 H19 Br Cl3 N2 O P -","- C100 H76 Br4 Cl12 N8 O4 P4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Batch and Flow Synthesis of Pyrrolo[1,2-a]-quinolines via an Allene-Based Reaction Cascade.","The Journal of organic chemistry","2015","80","21","10806","10816","10.1021/acs.joc.5b01982","","x-ray","0.71073","MoKα","","0.041","0.029","","","0.0652","0.0701","","","","","","1.009","","","","has coordinates","234699","2020-10-21","18:00:00",""
"4036443","9.676","0.0004","13.6599","0.0005","16.9725","0.0006","90","","90","","90","","2243.31","0.15","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Phenyl((1R,2R,4S,5S,8r)-tricyclo[3.2.1.0^2,4^]octan-8-yl)methanone","","- C15 H16 O -","- C15 H16 O -","- C120 H128 O8 -","8","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.0701","0.0462","","","0.1173","0.1313","","","","","","1.03","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036444","6.132","0.0002","10.695","0.0003","18.0264","0.0005","90","","90","","90","","1182.2","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-((1R,2R,4S,5S,8r)-8-Phenyltricyclo[3.2.1.0^2,4^]octan-8-yl) ethan-1-one","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.061","0.044","","","0.1008","0.1099","","","","","","1.048","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036446","14.013","0.006","6.262","0.002","18.876","0.007","90","","111.247","0.006","90","","1543.8","1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0367","0.0329","","","0.0674","0.0691","","","","","","1.117","","","","has coordinates","234703","2020-10-21","18:00:00",""
"4036447","9.787","0.004","10.989","0.004","13.498","0.005","90","","103.78","0.005","90","","1409.9","0.9","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.0702","0.0645","","","0.1251","0.1275","","","","","","1.239","","","","has coordinates","234704","2020-10-21","18:00:00",""
"4036448","11.514","0.003","7.897","0.002","16.978","0.005","90","","106.212","0.003","90","","1482.4","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zhu, Wenju; Zhao, Liang; Wang, Mei-Xiang","Synthesis of 2,3-Dihydro-1H-azepine and 1H-Azepin-2(3H)-one Derivatives From Intramolecular Condensation between Stable Tertiary Enamides and Aldehydes.","The Journal of organic chemistry","2015","80","24","12047","12057","10.1021/acs.joc.5b02021","","","0.71073","MoKα","","0.073","0.0622","","","0.1191","0.1345","","","","","","1.219","","","","has coordinates","234706","2020-10-21","18:00:00",""
"4036449","6.0574","0.001","7.8021","0.0013","21.834","0.004","90","","93.715","0.003","90","","1029.7","0.3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C48 H48 Fe2 N4 O8 -","2","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0346","0.03","","","0.0712","0.0723","","","","","","0.987","","","","has coordinates","234707","2020-10-21","18:00:00",""
"4036450","5.962","0.002","15.826","0.006","22.366","0.009","90","","90","","90","","2110.3","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C96 H96 Fe4 N8 O16 -","4","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0624","0.0492","","","0.1132","0.1263","","","","","","0.746","","","","has coordinates","234708","2020-10-21","18:00:00",""
"4036451","11.635","0.004","8.427","0.003","41.37","0.015","90","","90","","90","","4056","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H32 N2 O5 Si -","- C17 H32 N2 O5 Si -","- C136 H256 N16 O40 Si8 -","8","1","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.1572","0.0865","","","0.1747","0.2014","","","","","","1.062","","","","has coordinates","234709","2020-10-21","18:00:00",""
"4036452","8.366","0.002","9.56","0.002","11.005","0.002","113.946","0.009","107.506","0.011","92.316","0.013","753.7","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","2","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.0457","0.039","","","0.07","0.0735","","","","","","1.087","","","","has coordinates","234711","2020-10-21","18:00:00",""
"4036453","10.7298","0.0004","10.7298","0.0004","35.04","0.003","90","","90","","90","","4034.1","0.4","130","0.2","130","0.2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C160 H176 N32 O40 -","8","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0688","0.0444","","","0.083","0.0891","","","","","","0.888","","","","has coordinates","234712","2020-10-21","18:00:00",""
"4036454","6.1597","0.0012","24.878","0.005","7.5576","0.0015","90","","111.066","0.003","90","","1080.7","0.4","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br2 O3 -","- C10 H14 Br2 O3 -","- C40 H56 Br8 O12 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","0.71073","MoKα","","0.0372","0.03","","","0.0726","0.0747","","","","","","1.076","","","","has coordinates","234714","2020-10-21","18:00:00",""
"4036455","5.8916","0.0002","9.3511","0.0003","37.0887","0.0011","90","","90","","90","","2043.33","0.11","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","1.5418","CuKα","","0.0809","0.0576","","","0.1248","0.132","","","","","","1.042","","","","has coordinates","234715","2020-10-21","18:00:00",""
"4036456","8.512","0.002","12.728","0.004","17.319","0.005","70.654","0.006","81.59","0.006","89.144","0.006","1750.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 B N -","- C44 H44 B N -","- C88 H88 B2 N2 -","2","1","","Wang, Chen; Xu, Qing-Wen; Zhang, Wei-Ning; Peng, Qian; Zhao, Cui-Hua","Charge-Transfer Emission in Organoboron-Based Biphenyls: Effect of Substitution Position and Conformation.","The Journal of organic chemistry","2015","80","21","10914","10924","10.1021/acs.joc.5b02038","","","0.71","MoKα","","0.1836","0.064","","","0.1317","0.1903","","","","","","0.905","","","","has coordinates","234717","2020-10-21","18:00:00",""
"4036457","14.43","0.002","14.644","0.0018","10.8744","0.0019","90","","92.153","0.013","90","","2296.3","0.6","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C100 H124 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1955","0.1184","","","0.2532","0.2893","","","","","","1.096","","","","has coordinates","234718","2020-10-21","18:00:00",""
"4036458","10.0969","0.0003","9.8861","0.0003","18.7766","0.0006","90","","95.477","0.003","90","","1865.7","0.1","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.0458","0.036","","","0.0859","0.0913","","","","","","1.035","","","","has coordinates","234719","2020-10-21","18:00:00",""
"4036459","10.6203","0.0006","6.8903","0.0005","37.158","0.003","90","","90.063","0.006","90","","2719.1","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 N O3 -","- C29 H31 Cl2 N O3 -","- C116 H124 Cl8 N4 O12 -","4","1","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1542","0.0859","","","0.1968","0.234","","","","","","1.056","","","","has coordinates","234720","2020-10-21","18:00:00",""
"4036460","10.2004","0.0005","13.5681","0.0006","33.3943","0.0014","94.499","0.004","92.879","0.004","90.481","0.004","4601.4","0.4","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C208 H216 N8 O24 -","8","4","","Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús; Franco, Santiago; Quintero, Estefanía; López Navarrete, Juan T; Diosdado, Beatriz E.; Villacampa, Belén; Casado, Juan; Andreu, Raquel","D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties.","The Journal of organic chemistry","2015","80","24","12115","12128","10.1021/acs.joc.5b02051","","x-ray","0.71073","MoKα","","0.1904","0.0696","","","0.0891","0.1201","","","","","","0.97","","","","has coordinates","234722","2020-10-21","18:00:00",""
"4036461","22.8455","0.0005","17.7889","0.0003","12.171","0.0003","90","","93.475","0.001","90","","4937.16","0.18","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N2 O4 Si -","- C24 H38 N2 O4 Si -","- C192 H304 N16 O32 Si8 -","8","2","","Hinze, Meagan E.; Daughtry, Jessica L.; Lewis, Chad A.","Access to the Surugatoxin Alkaloids: Chemo-, Regio-, and Stereoselective Oxindole Annulation.","The Journal of organic chemistry","2015","80","22","11258","11265","10.1021/acs.joc.5b02053","","","0.71073","MoKα","","0.0935","0.0522","","","0.1255","0.1488","","","","","","1.008","","","","has coordinates","234723","2020-10-21","18:00:00",""
"4036465","13.442","0.002","33.697","0.006","3.8454","0.0006","90","","90","","90","","1741.8","0.5","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Lee, Che-Wei; Liu, En-Chih; Wu, Yao-Ting","Palladium-Catalyzed Reaction of Haloarenes with Diarylethynes: Synthesis, Structural Analysis, and Properties of Methylene-Bridged Arenes.","The Journal of organic chemistry","2015","80","21","10446","10456","10.1021/acs.joc.5b02111","","","0.71073","MoKα","","0.0686","0.0572","","","0.1203","0.1244","","","","","","1.148","","","","has coordinates","234729","2020-10-21","18:00:00",""
"4036466","6.3582","0.0004","8.2725","0.0005","46.165","0.003","90","","90","","90","","2428.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N4 O5 -","- C24 H23 Br N4 O5 -","- C96 H92 Br4 N16 O20 -","4","1","","Lee, Hyo-Jun; Cho, Chang-Woo","Enantioselective Phase-Transfer-Catalyzed Synthesis of Chiral N-Substituted 3,3-Dinitroazetidines by Aza-Michael Reaction.","The Journal of organic chemistry","2015","80","22","11435","11440","10.1021/acs.joc.5b02124","","","1.54178","CuKα","","0.0586","0.0544","","","0.1419","0.1455","","","","","","1.052","","","","has coordinates","234731","2020-10-21","18:00:00",""
"4036467","6.145","0.0004","8.425","0.0005","17.675","0.0008","95.659","0.006","95.515","0.006","99.965","0.005","890.87","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C44 H40 O4 S2 -","2","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0645","0.0456","","","0.1129","0.1239","","","","","","1.083","","","","has coordinates","234733","2020-10-21","18:00:00",""
"4036468","16.029","0.0013","16.027","0.005","21.723","0.006","90","","90.705","0.011","90","","5580","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C256 H256 O32 S16 -","16","4","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.2234","0.1249","","","0.3155","0.4009","","","","","","1.002","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4036469","5.714","0.0006","17.385","0.002","19.291","0.003","90","","97.533","0.008","90","","1899.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 S -","- C23 H22 O2 S -","- C92 H88 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.1561","0.0626","","","0.1281","0.1633","","","","","","0.969","","","","has coordinates","234735","2020-10-21","18:00:00",""
"4036470","11.471","0.0008","7.889","0.0007","15.246","0.001","90","","93.537","0.008","90","","1377.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0989","0.0593","","","0.1434","0.1648","","","","","","1.047","","","","has coordinates","234736","2020-10-21","18:00:00",""
"4036471","30.883","0.006","14.684","0.003","8.1485","0.0015","90","","91.665","0.003","90","","3693.7","1.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 -","- C56 H34 -","- C224 H136 -","4","0.5","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.7085","synchrotron","","0.0547","0.047","","","0.1359","0.1439","","","","","","1.047","","","","has coordinates","234738","2020-10-21","18:00:00",""
"4036472","13.1052","0.0005","13.4575","0.0004","16.6219","0.0005","102.829","0.003","92.996","0.003","104.207","0.003","2753.16","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H18 -","- C28 H18 -","- C168 H108 -","6","3","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","1.54184","CuKα","","0.0524","0.0446","","","0.1164","0.1235","","","","","","1.018","","","","has coordinates","234739","2020-10-21","18:00:00",""
"4036473","11.3528","0.0006","12.4313","0.0007","19.1537","0.001","90","","90","","90","","2703.2","0.3","150","2","150","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.71073","MoKα","","0.06","0.0465","","","0.1157","0.1219","","","","","","1.075","","","","has coordinates","234741","2020-10-21","18:00:00",""
"4036474","7.1014","0.0008","4.5936","0.0005","17.649","0.002","90","","98.661","0.003","90","","569.16","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N -","- C17 H11 N -","- C34 H22 N2 -","2","0.5","","Han, Wenyong; Zhou, Xiaojian; Yang, Siyi; Xiang, Guangyan; Cui, Baodong; Chen, Yongzheng","Palladium-Catalyzed Nucleophilic Substitution/C-H Activation/Aromatization Cascade Reaction: One Approach To Construct 6-Unsubstituted Phenanthridines.","The Journal of organic chemistry","2015","80","22","11580","11587","10.1021/acs.joc.5b02145","","","0.71073","MoKα","","0.0506","0.0376","","","0.0956","0.1043","","","","","","1.076","","","","has coordinates,has disorder","234742","2020-10-21","18:00:00",""
"4036475","7.2031","0.0005","9.4082","0.0005","10.7921","0.0007","76.882","0.002","77.792","0.003","71.232","0.002","666.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-hydroxy-5-methyl quinolinium chloride 3-carboxylate","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C26 H28 Cl2 N2 O6 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","MoKα","","0.1271","0.0559","","","0.1377","0.1661","","","","","","1.018","","","","has coordinates,has disorder","234744","2020-10-21","18:00:00",""
"4036476","7.1677","0.0009","8.7831","0.001","12.2082","0.0014","83.465","0.006","74.368","0.006","85.537","0.007","734.43","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-[(3-methylphenylamino)methylene]malonate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","Horta, Pedro; Kuş, Nihal; Henriques, Marta Sofia C.; Paixão, José A; Coelho, Lis; Nogueira, Fátima; O'Neill, Paul M; Fausto, Rui; Cristiano, Maria Lurdes Santos","Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity.","The Journal of organic chemistry","2015","80","24","12244","12257","10.1021/acs.joc.5b02169","","","0.71073","","","0.1114","0.0532","","","0.1403","0.1864","","","","","","1.014","","","","has coordinates","234745","2020-10-21","18:00:00",""
"4036477","9.631","0.003","14.176","0.004","13.662","0.004","90","","107.142","0.003","90","","1782.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0663","0.0444","","","0.103","0.1412","","","","","","1.114","","","","has coordinates","234746","2020-10-21","18:00:00",""
"4036478","9.1671","0.0006","11.7222","0.0007","15.8315","0.001","90","","101.753","0.001","90","","1665.56","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","1.54178","CuKα","","0.0384","0.0358","","","0.1002","0.1094","","","","","","1.128","","","","has coordinates","234747","2020-10-21","18:00:00",""
"4036479","9.0012","0.0009","11.5929","0.0011","15.911","0.0017","90","","106.194","0.001","90","","1594.4","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C68 H84 N12 O8 -","4","1","","Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.","The Journal of organic chemistry","2015","80","21","11013","11020","10.1021/acs.joc.5b02178","","","0.71073","MoKα","","0.0362","0.0323","","","0.0799","0.0827","","","","","","1.063","","","","has coordinates","234748","2020-10-21","18:00:00",""
"4036482","7.4575","0.0005","18.2889","0.0011","9.166","0.0006","90","","91.2782","0.0009","90","","1249.83","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methoxy-3-methyl-2-(phenylselanyl)phenol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Shao, Wenjie; Clive, Derrick L. J.","A Family of Routes to Substituted Phenols, Including Meta-Substituted Phenols.","The Journal of organic chemistry","2015","80","24","12280","12287","10.1021/acs.joc.5b02187","","","0.71073","MoKα","","0.0486","0.0358","","","0.0885","0.0961","","","","","","1.046","","","","has coordinates","234754","2020-10-21","18:00:00",""
"4036483","21.702","0.002","8.0436","0.0009","14.12","0.0015","90","","96.518","0.001","90","","2448.9","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0526","0.0454","","","0.1254","0.1305","","","","","","1.052","","","","has coordinates","276320","2022-06-28","13:45:49",""
"4036484","8.792","0.002","11.707","0.003","13.616","0.004","103.38","0.003","99.02","0.003","94.318","0.003","1337.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C72 H50 N6 S2 -","2","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.072","0.0624","","","0.1665","0.1722","","","","","","1.055","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036485","13.8969","0.0012","7.9974","0.0007","21.6888","0.0019","90","","90","","90","","2410.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H25 N O S -","- C33 H25 N O S -","- C132 H100 N4 O4 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0755","0.0749","","","0.1921","0.1933","","","","","","1.034","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036486","17.2464","0.0012","11.4732","0.0008","14.313","0.001","90","","108.764","0.001","90","","2681.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N3 S -","- C36 H25 N3 S -","- C144 H100 N12 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0515","0.0393","","","0.1043","0.1092","","","","","","1.029","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036487","8.615","0.001","29.296","0.003","19.944","0.002","90","","99.955","0.002","90","","4957.8","0.9","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C264 H192 N16 S8 -","8","2","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0566","0.0413","","","0.1019","0.1081","","","","","","1.007","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036488","21.543","0.005","8.059","0.002","13.926","0.003","90","","92.104","0.006","90","","2416.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 S -","- C33 H24 N2 S -","- C132 H96 N8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.056","0.0468","","","0.1162","0.1231","","","","","","1.022","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036489","21.7182","0.001","7.9668","0.0004","14.0081","0.0006","90","","95.08","0.001","90","","2414.22","0.19","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 S -","- C32 H24 N2 O2 S -","- C128 H96 N8 O8 S4 -","4","1","","Ishii, Akihiko; Makishima, Yukihiro; Nakata, Norio","Red and Near-Infrared Photoluminescence of D-π-A-Type Compounds Based on a 1,4-Diaryl-1-thio-1,3-butadiene Conjugated System in a Dibenzobarrelene Skeleton.","The Journal of organic chemistry","2015","80","22","11598","11604","10.1021/acs.joc.5b02189","","","0.71073","MoKα","","0.0472","0.04","","","0.1233","0.1339","","","","","","1.054","","","","has coordinates","276320","2022-06-28","13:45:52",""
"4036491","20.57","0.007","15.208","0.005","16.16","0.005","90","","91.127","0.009","90","","5054","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine_(6b","6B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C224 H144 F48 N32 -","16","4","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2221","0.101","","","0.2003","0.252","","","","","","1.042","","","","has coordinates,has disorder","234766","2020-10-21","18:00:00",""
"4036492","11.813","0.009","11.294","0.009","18.965","0.014","90","","107.73","0.011","90","","2410","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine","5B","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2217","0.1161","","","0.3044","0.3475","","","","","","1.096","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4036493","8.109","0.003","12.25","0.005","21.727","0.009","76.874","0.007","81.153","0.009","80.376","0.008","2057.2","1.4","298","","298","","","","","","","","","4","P -1","-P 1","2","12","(Z)-3-(Diphenylboryloxy)-1,3-diphenylprop-2-en-1-one","","- C54 H42 B2 O4 -","- C27 H21 B O2 -","- C108 H84 B4 O8 -","4","2","","De Rosa, Michael; Arnold, David; Hartline, Douglas; Truong, Linda; Verner, Roman; Wang, Tianwei; Westin, Christian","Effect of Bronsted Acids and Bases, and Lewis Acid (Sn(2+)) on the Regiochemistry of the Reaction of Amines with Trifluoromethyl-β-diketones: Reaction of 3-Aminopyrrole to Selectively Produce Regioisomeric 1H-Pyrrolo[3,2-b]pyridines.","The Journal of organic chemistry","2015","80","24","12288","12299","10.1021/acs.joc.5b02192","","","0.71073","MoKα","","0.2133","0.1655","","","0.4455","0.4658","","","","","","1.433","","","","has coordinates","234768","2020-10-21","18:00:00",""
"4036494","8.036","0.002","23.367","0.006","11.456","0.003","90","","104.521","0.009","90","","2082.5","0.9","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-azobenzene-F","(Z)-1-(2-fluorophenyl)-2-phenyldiazene","","- C12 H9 F N2 -","- C12 H9 F N2 -","- C96 H72 F8 N16 -","8","2","","Rastogi, S. K.; Rogers, R. A.; Shi, J.; Gao, C.; Rinaldi, P. L.; Brittain, W. J.","Conformational Dynamics of o-Fluoro-Substituted Z-Azobenzene.","The Journal of organic chemistry","2015","80","22","11485","11490","10.1021/acs.joc.5b02202","","","0.71075","MoKα","","0.261","0.1127","","","0.323","0.4278","","","","","","1.021","","","","has coordinates","234769","2020-10-21","18:00:00",""
"4036495","10.2984","0.001","10.7386","0.0011","11.0409","0.0011","117.583","0.002","107.719","0.002","91.208","0.002","1011.74","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Br N O -","- C23 H26 Br N O -","- C46 H52 Br2 N2 O2 -","2","1","","Kong, Lingkai; Shao, Yushang; Li, Yanli; Liu, Yuanyuan; Li, Yanzhong","LDA-Promoted Synthesis of 3-Amino Furans by Selective Lithiation of Enaminones.","The Journal of organic chemistry","2015","80","24","12641","12645","10.1021/acs.joc.5b02211","","","0.71073","MoKα","","0.0442","0.0362","","","0.0895","0.0935","","","","","","1.063","","","","has coordinates","234771","2020-10-21","18:00:00",""
"4036496","18.1196","0.001","10.6097","0.0006","16.4832","0.0009","90","","109.519","0.001","90","","2986.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0515","0.0417","","","0.1052","0.114","","","","","","1.038","","","","has coordinates","234773","2020-10-21","18:00:00",""
"4036497","8.7176","0.0007","8.9415","0.0011","11.6509","0.0009","80.906","0.002","68.2812","0.0014","68.3448","0.0013","783.91","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O S -","- C21 H17 N O S -","- C42 H34 N2 O2 S2 -","2","1","","Lvov, Andrey G.; Shirinian, Valerii Z.; Zakharov, Alexey V.; Krayushkin, Mikhail M.; Kachala, Vadim V.; Zavarzin, Igor V.","General Photoinduced Sequential Electrocyclization/[1,9]-Sigmatropic Rearrangement/Ring-Opening Reaction of Diarylethenes.","The Journal of organic chemistry","2015","80","22","11491","11500","10.1021/acs.joc.5b02237","","","0.71073","MoKα","","0.0701","0.0565","","","0.1311","0.1401","","","","","","1.031","","","","has coordinates,has disorder","234774","2020-10-21","18:00:00",""
"4036498","14.4818","0.0007","8.7184","0.0004","23.3607","0.0011","90","","107.755","0.005","90","","2809","0.2","293.33","0.1","293.33","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 Br F N O5 -","- C30 H27 Br F N2 O4 -","- C120 H108 Br4 F4 N8 O16 -","4","2","","Liu, Xihong; Zhang, Jinlong; Zhao, Long; Ma, Shixiong; Yang, Dongxu; Yan, Wenjin; Wang, Rui","Construction of Vicinal Tetrasubstituted Stereocenters with a C-F Bond through a Catalytic Enantioselective Detrifluoroacetylative Mannich Reaction.","The Journal of organic chemistry","2015","80","24","12651","12658","10.1021/acs.joc.5b02238","","x-ray","0.71073","MoKα","","0.1663","0.0589","","","0.111","0.1663","","","","","","0.884","","","","has coordinates,has disorder","234776","2020-10-21","18:00:00",""
"4036499","9.5256","0.0007","9.8263","0.001","14.0527","0.0011","90","","90","","90","","1315.35","0.19","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Chen, Lin; Wu, Zhi-Jun; Zhang, Ming-Liang; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Cyclization Cascade Reactions of 3-Hydroxyoxindoles/3-Aminooxindoles with α,β-Unsaturated Acyl Phosphonates for the Construction of Spirocyclic Oxindole-γ-lactones/lactams.","The Journal of organic chemistry","2015","80","24","12668","12675","10.1021/acs.joc.5b02253","","","0.71073","MoKα","","0.1078","0.059","","","0.1325","0.1715","","","","","","1.083","","","","has coordinates","234778","2020-10-21","18:00:00",""
"4036500","6.1038","0.0009","16.2799","0.0019","19.802","0.003","86.77","0.011","89.29","0.014","80.555","0.017","1937.9","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","2","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71075","MoKα","","0.1731","0.1155","","","0.3524","0.4024","","","","","","1.163","","","","has coordinates","234780","2020-10-21","18:00:00",""
"4036501","12.6317","0.0013","15.1405","0.0016","7.116","0.0008","90","","94.535","0.005","90","","1356.7","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N3 O -","- C17 H12 F N3 O -","- C68 H48 F4 N12 O4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(OAc)2-Catalyzed, AgOAc-Promoted Z Selective Directed β-Arylation of Acrylamide Systems and Stereoselective Construction of Z-Cinnamamide Scaffolds.","The Journal of organic chemistry","2015","80","24","12379","12396","10.1021/acs.joc.5b02264","","","0.71073","MoKα","","0.1627","0.094","","","0.2348","0.3668","","","","","","1.182","","","","has coordinates","234781","2020-10-21","18:00:00",""
"4036502","14.805","0.011","6.314","0.004","25.22","0.02","90","","98.032","0.011","90","","2334","3","293","2","293","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C104 H64 Cl8 N24 O8 -","8","1","","Anand, Devireddy; Patel, Om P. S.; Maurya, Rahul K.; Kant, Ruchir; Yadav, Prem P.","Substrate Controlled Synthesis of Benzisoxazole and Benzisothiazole Derivatives via PhI(OAc)2-Mediated Oxidation Followed by Intramolecular Oxidative O-N/S-N Bond Formation.","The Journal of organic chemistry","2015","80","24","12410","12419","10.1021/acs.joc.5b02276","","","0.71075","MoKα","","0.1676","0.0873","","","0.1863","0.2369","","","","","","0.728","","","","has coordinates","234782","2020-10-21","18:00:00",""
"4036503","12.5612","0.0007","7.0515","0.0003","15.0777","0.0008","90","","109.371","0.006","90","","1259.91","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","0.71073","MoKα","","0.2274","0.0825","","","0.2152","0.2643","","","","","","0.738","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036504","6.5381","0.0001","16.2344","0.0002","13.3793","0.0002","90","","100.433","0.001","90","","1396.63","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cindro, Nikola; Antol, Ivana; Mlinarić-Majerski, Kata; Halasz, Ivan; Wan, Peter; Basarić, Nikola","Reactivity of Cations and Zwitterions Formed in Photochemical and Acid-Catalyzed Reactions from m-Hydroxycycloalkyl-Substituted Phenol Derivatives.","The Journal of organic chemistry","2015","80","24","12420","12430","10.1021/acs.joc.5b02297","","","1.54184","CuKα","","0.048","0.0465","","","0.1233","0.1247","","","","","","1.038","","","","has coordinates","234785","2020-10-21","18:00:00",""
"4036505","8.3623","0.0005","9.5799","0.0005","10.5979","0.0006","103.936","0.005","91.136","0.005","111.334","0.005","762.1","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O3 -","- C13 H14 N6 O3 -","- C26 H28 N12 O6 -","2","1","","Erhardt, Hellmuth; Häring, Andreas P; Kotthaus, Andreas; Roggel, Markus; Tong, My Linh; Biallas, Phillip; Jübermann, Martin; Mohr, Fabian; Kirsch, Stefan F.","Geminal Diazides Derived from 1,3-Dicarbonyls: A Protocol for Synthesis.","The Journal of organic chemistry","2015","80","24","12460","12469","10.1021/acs.joc.5b02328","","x-ray","0.71073","MoKα","","0.0562","0.0412","","","0.0929","0.1015","","","","","","1.032","","","","has coordinates","234786","2020-10-21","18:00:00",""
"4036510","8.3426","0.0003","7.7556","0.0003","30.44","0.001","90","","93.011","0.002","90","","1966.81","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-iodo-5-phenyl-2-(3,4,5-trimethoxybenzoyl)selenophene","(4-iodo-5-phenylselenophene-2yl)(3,4,5-trimethoxybenzoyl)methanone","","- C20 H17 I O4 Se -","- C20 H17 I O4 Se -","- C80 H68 I4 O16 Se4 -","4","1","","Roehrs, Juliano A.; Pistoia, Renan P.; Back, Davi F.; Zeni, Gilson","Diorganyl Dichalcogenides-Promoted Nucleophilic Closure of 1,4-Diyn-3-ols: Synthesis of 2-Benzoyl Chalcogenophenes.","The Journal of organic chemistry","2015","80","24","12470","12481","10.1021/acs.joc.5b02334","","","0.71073","MoKα","","0.0509","0.0401","","","0.104","0.1185","","","","","","1.218","","","","has coordinates","234794","2020-10-21","18:00:00",""
"4036514","32.979","0.013","5.836","0.002","23.108","0.009","90","","105.586","0.003","90","","4284","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O -","- C26 H18 F3 N O -","- C208 H144 F24 N8 O8 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Tung, Chen-Ho; Xu, Zhenghu","Synthesis of Oxazoles by Tandem Cycloisomerization/Allylic Alkylation of Propargyl Amides with Allylic Alcohols: Zn(OTf)2 as π Acid and σ Acid Catalyst.","The Journal of organic chemistry","2015","80","24","12718","12724","10.1021/acs.joc.5b02382","","","0.71073","MoKα","","0.1204","0.0636","","","0.156","0.1938","","","","","","1.022","","","","has coordinates","234801","2020-10-21","18:00:00",""
"4037611","9.6295","0.0004","11.0331","0.0004","15.6854","0.0005","90","","90","","90","","1666.47","0.11","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","1","","Zhang, Duo; Cui, Xiuling; Zhang, Qianqian; Wu, Yangjie","Pd-catalyzed direct C-H bond sulfonylation of azobenzenes with arylsulfonyl chlorides.","The Journal of organic chemistry","2015","80","3","1517","1522","10.1021/jo502451k","","","1.54184","CuKα","","0.0428","0.038","","","0.0956","0.1005","","","","","","1.04","","","","has coordinates","243450","2020-10-21","18:00:00",""
"4038953","9.8194","0.0004","20.4689","0.0007","9.6034","0.0003","90","","96.044","0.003","90","","1919.48","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","?14:50 23.03.2015","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Vasin, V.A.; Masterova, Yu.Yu.; Bezrukova, E.V.; Razin, V.V.; Somov, N.V.","Synthesis of 3H-Pyrazoles by Reaction of Methyl and p-Tolyl Phenylethynyl Sulfones with Diphenyldiazomethane and Their Thermal and Acid-Catalyzed Transformations","Russian Journal of Organic Chemistry","2015","51","6","874","883","10.1134/S107042801506010X","","","0.71073","MoKα","","0.0665","0.057","","","0.1404","0.1473","","","","","","1.12","","","","has coordinates","269560","2021-10-05","09:59:47",""
"4084445","13.4537","0.0009","10.8525","0.0007","18.4555","0.001","90","","115.034","0.004","90","","2441.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 N4 Si2 Zr -","- C18 H44 N4 Si2 Zr -","- C72 H176 N16 Si8 Zr4 -","4","1","","Kulinna, Heiko; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Zirconium Hydrides Supported by a Dianionic (NNNN)-Type Macrocycle Ligand","Organometallics","2015","34","11","2160","","10.1021/om500820k","","","0.71073","MoKα","","0.0378","0.0286","","","0.0646","0.0695","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084446","17.448","0.0017","12.9787","0.0012","19.4705","0.0019","90","","107.802","0.001","90","","4198","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H80 N8 Si2 Zr2 -","- C34 H80 N8 Si2 Zr2 -","- C136 H320 N32 Si8 Zr8 -","4","1","","Kulinna, Heiko; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Zirconium Hydrides Supported by a Dianionic (NNNN)-Type Macrocycle Ligand","Organometallics","2015","34","11","2160","","10.1021/om500820k","","","0.71073","MoKα","","0.039","0.0313","","","0.0733","0.0783","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084447","12.446","0.0007","18.0452","0.001","28.4705","0.0016","90","","100.326","0.0014","90","","6290.6","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H83 B Cl8 N8 O Si Zr2 -","- C55 H83 B Cl8 N8 O Si Zr2 -","- C220 H332 B4 Cl32 N32 O4 Si4 Zr8 -","4","1","","Kulinna, Heiko; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Zirconium Hydrides Supported by a Dianionic (NNNN)-Type Macrocycle Ligand","Organometallics","2015","34","11","2160","","10.1021/om500820k","","","0.71073","MoKα","","0.0799","0.0544","","","0.1454","0.1641","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084448","14.8816","0.001","16.6278","0.0011","17.9682","0.0012","87.5515","0.0011","66.8464","0.001","85.0735","0.0011","4072.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H86 B2 Cl16 N8 O2 Zr2 -","- C76 H86 B2 Cl16 N8 O2 Zr2 -","- C152 H172 B4 Cl32 N16 O4 Zr4 -","2","1","","Kulinna, Heiko; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Zirconium Hydrides Supported by a Dianionic (NNNN)-Type Macrocycle Ligand","Organometallics","2015","34","11","2160","","10.1021/om500820k","","","0.71073","MoKα","","0.0875","0.0613","","","0.165","0.188","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084449","8.1714","0.0001","10.1587","0.0001","18.9544","0.0002","76.1227","0.0008","87.1138","0.0008","81.0287","0.0007","1508.67","0.03","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C30 H32 B N6 O2 P W -","- C30 H32 B N6 O2 P W -","- C60 H64 B2 N12 O4 P2 W2 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab","Synthesis and Reactivity of Phosphinocarbyne Complexes","Organometallics","2015","34","11","2165","","10.1021/om500833n","","","0.71073","MoKα","","0.0312","0.0253","","0.0546","0.0524","0.0546","","","","","","0.9917","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084450","10.2173","0.0002","10.4412","0.0002","17.5622","0.0003","90.0224","0.001","92.6882","0.001","105.883","0.001","1799.87","0.06","200","","200","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C31 H36 B2 Cl3 N6 O2 P W -","- C31 H36 B2 Cl3 N6 O2 P W -","- C62 H72 B4 Cl6 N12 O4 P2 W2 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab","Synthesis and Reactivity of Phosphinocarbyne Complexes","Organometallics","2015","34","11","2165","","10.1021/om500833n","","","0.71073","MoKα","","0.0582","0.0402","","0.0894","0.0822","0.0894","","","","","","0.9939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084451","10.2968","0.0002","10.4179","0.0002","17.2038","0.0004","98.7173","0.0012","106.037","0.0013","106.67","0.0011","1644.85","0.06","200","","200","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C30 H32 B N6 O2 P S W -","- C30 H32 B N6 O2 P S W -","- C60 H64 B2 N12 O4 P2 S2 W2 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab","Synthesis and Reactivity of Phosphinocarbyne Complexes","Organometallics","2015","34","11","2165","","10.1021/om500833n","","","0.71073","MoKα","","0.072","0.0422","","0.0894","0.0803","0.0894","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084452","9.9675","0.0002","15.4834","0.0004","23.6677","0.0006","90","","92.4264","0.0015","90","","3649.38","0.15","200","","200","","","","","","","","Research School of Chemistry","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B N6 O2 P S2 W -","- C30 H32 B N6 O2 P S2 W -","- C120 H128 B4 N24 O8 P4 S8 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab","Synthesis and Reactivity of Phosphinocarbyne Complexes","Organometallics","2015","34","11","2165","","10.1021/om500833n","","","0.71073","MoKα","","0.1203","0.0951","","0.2172","0.204","0.2172","","","","","","0.9625","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084453","10.2609","0.0002","10.4116","0.0001","17.5341","0.0003","90.5897","0.0011","91.1982","0.0009","106.372","0.001","1796.6","0.05","200","","200","","","","","","","","Research School of Chemistry","9","P -1","-P 1","2","","","","- C31 H33 B Cl3 N6 O2 P Se W -","- C31 H33 B Cl3 N6 O2 P Se W -","- C62 H66 B2 Cl6 N12 O4 P2 Se2 W2 -","2","1","","Colebatch, Annie L.; Hill, Anthony F.; Sharma, Manab","Synthesis and Reactivity of Phosphinocarbyne Complexes","Organometallics","2015","34","11","2165","","10.1021/om500833n","","","0.71073","MoKα","","0.0604","0.0409","","0.0924","0.0846","0.0924","","","","","","0.9882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084545","17.955","0.0006","12.989","0.0003","18.4366","0.0007","90","","111.238","0.001","90","","4007.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(ImH)DiPP(C2OMe)]2[NiCl4]","","","- C36 H54 Cl4 N4 Ni O2 -","- C36 H54 Cl4 N4 Ni O2 -","- C144 H216 Cl16 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.1143","0.0632","","","0.0907","0.1001","","","","","","1.062","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084546","10.8374","0.0005","11.2012","0.0005","15.5473","0.0009","92.137","0.003","108.231","0.003","117.727","0.002","1548.77","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NiCl2{ImMes(EtOMe)}2]","","","- C30 H40 Cl2 N4 Ni O2 -","- C30 H40 Cl2 N4 Ni O2 -","- C60 H80 Cl4 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0878","0.0492","","","0.1037","0.1169","","","","","","1.036","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084547","12.7661","0.0006","16.2992","0.0009","12.9505","0.0004","90","","112.957","0.003","90","","2481.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[NiCl2{ImnBu(EtOMe)}2]","","","- C20 H36 Cl2 N4 Ni O2 -","- C20 H36 Cl2 N4 Ni O2 -","- C80 H144 Cl8 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0825","0.0471","","","0.0981","0.1074","","","","","","1.028","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084548","28.4313","0.0003","8.0358","0.0001","16.2437","0.0002","90","","90","","90","","3711.17","0.08","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[NiBr2{ImDiPP(EtOMe)}2]","","","- C36 H52 Br2 N4 Ni O2 -","- C36 H52 Br2 N4 Ni O2 -","- C144 H208 Br8 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.075","0.063","","","0.1824","0.1949","","","","","","1.137","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084549","10.9063","0.0004","11.2498","0.0003","15.68","0.0005","93.231","0.002","106.102","0.002","117.956","0.002","1592.81","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NiBr2{ImMes(EtOMe)}2]","","","- C30 H40 Br2 N4 Ni O2 -","- C30 H40 Br2 N4 Ni O2 -","- C60 H80 Br4 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.1038","0.0489","","","0.1077","0.1335","","","","","","1.053","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084550","19.176","0.001","12.84","0.0004","20.906","0.0011","90","","91.023","0.002","90","","5146.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[NiBr2{ImnBu(EtOMe)}2]","","","- C20 H36 Br2 N4 Ni O2 -","- C20 H36 Br2 N4 Ni O2 -","- C160 H288 Br16 N32 Ni8 O16 -","8","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0908","0.0455","","","0.0926","0.1021","","","","","","1.002","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084551","10.9713","0.0005","11.2882","0.0004","18.9057","0.0009","90.784","0.003","95.602","0.002","107.298","0.003","2222.58","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(ImH)DiPP(C2OMe)][NiCl3{ImDiPP(C2OMe)}],C7H8","","","- C43 H61 Cl3 N4 Ni O2 -","- C43 H61 Cl3 N4 Ni O2 -","- C86 H122 Cl6 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.1332","0.0899","","","0.1211","0.1314","","","","","","1.154","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084552","7.4682","0.0002","9.5069","0.0003","12.7515","0.0003","78.2702","0.0018","85.9172","0.0018","79.6926","0.0015","871.57","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[Ag{ImMe(EtOMe)}2]Cl","","","- C14 H24 Ag Cl N4 O2 -","- C14 H24 Ag Cl N4 O2 -","- C28 H48 Ag2 Cl2 N8 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71069","MoKα","","0.0404","0.0305","","","0.0724","0.076","","","","","","1.104","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084553","10.97","0.005","12.359","0.005","15.435","0.005","112.669","0.005","92.71","0.005","95.164","0.005","1915.5","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NiBr2{ImMes(EtOPh)}2]","","","- C40 H44 Br2 N4 Ni O2 -","- C40 H44 Br2 N4 Ni O2 -","- C80 H88 Br4 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71069","MoKα","","0.0828","0.0419","","","0.0856","0.0944","","","","","","1.008","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084554","11.5158","0.0002","13.6489","0.0004","14.3381","0.0004","90","","106.614","0.002","90","","2159.55","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[NiBr2{ImDiPP(EtSPh)}2]","","","- C46 H56 Br2 N4 Ni S2 -","- C46 H56 Br2 N4 Ni S2 -","- C92 H112 Br4 N8 Ni2 S4 -","2","0.5","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0412","0.0297","","","0.0632","0.0661","","","","","","1.031","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084555","8.2708","0.0002","15.4886","0.0005","16.6429","0.0005","90","","115.648","0.002","90","","1921.94","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[NiBr2{ImDiPP(nBu)}2]","","","- C38 H56 Br2 N4 Ni -","- C38 H56 Br2 N4 Ni -","- C76 H112 Br4 N8 Ni2 -","2","0.5","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0658","0.0492","","","0.1253","0.1326","","","","","","1.064","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084556","10.6896","0.0004","11.4216","0.0004","16.9863","0.0005","74.611","0.002","86.728","0.002","79.318","0.002","1964.82","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[NiI2{ImDiPP(EtOMe)}2]","","- C36 H52 I2 N4 Ni O2 -","- C36 H52 I2 N4 Ni O2 -","- C72 H104 I4 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.0629","0.0399","","","0.0691","0.0744","","","","","","1.024","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084557","11.3931","0.0004","11.4902","0.0005","13.0289","0.0005","92.7704","0.0019","92.086","0.002","104.941","0.002","1643.9","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NiI2{ImMes(EtOMe)}2]","","","- C30 H40 I2 N4 Ni O2 -","- C30 H40 I2 N4 Ni O2 -","- C60 H80 I4 N8 Ni2 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71069","MoKα","","0.0686","0.0387","","","0.091","0.1039","","","","","","1.033","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084558","8.2699","0.0007","8.7576","0.0007","9.8261","0.0009","70.248","0.005","75.665","0.004","82.213","0.005","647.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[NiI2{ImnBu(EtOMe)}2]","","","- C20 H36 I2 N4 Ni O2 -","- C20 H36 I2 N4 Ni O2 -","- C20 H36 I2 N4 Ni O2 -","1","0.5","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71069","MoKα","","0.0507","0.0363","","","0.0706","0.0745","","","","","","1.058","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084559","17.0223","0.0007","16.8551","0.0006","15.9793","0.0004","90","","104.354","0.002","90","","4441.5","0.3","233","2","233","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(IMesOEt)2Ni(H2O)2(PF6)2(Et2O)","","","- C34 H54 F12 N4 Ni O5 P2 -","- C34 H54 F12 N4 Ni O5 P2 -","- C136 H216 F48 N16 Ni4 O20 P8 -","4","0.5","","Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R.; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Bis(ether-functionalized NHC) Nickel(II) Complexes,TranstoCisIsomerization Triggered by Water Coordination, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","11","2183","","10.1021/om5008506","","x-ray","0.71073","MoKα","","0.1259","0.0956","","","0.2756","0.2951","","","","","","1.052","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084597","9.721","0.0019","10.796","0.002","15.581","0.003","87.53","0.03","72.28","0.03","81.62","0.03","1541","0.6","423","2","423","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 Hg N4 Pt -","- C22 H26 Cl2 Hg N4 Pt -","- C44 H52 Cl4 Hg2 N8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.0736","0.0488","","","0.1657","0.1798","","","","","","1.117","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084598","9.931","0.002","10.646","0.002","15.848","0.003","83.75","0.03","78.27","0.03","83.91","0.03","1624.7","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Br2 Cl6 Hg N4 Pt -","- C24 H28 Br2 Cl6 Hg N4 Pt -","- C48 H56 Br4 Cl12 Hg2 N8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.0867","0.053","","","0.1342","0.1659","","","","","","1.252","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084599","17.296","0.002","12.4255","0.0014","22.067","0.003","90","","90","","90","","4742.5","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 I N4 Pt -","- C23 H29 I N4 Pt -","- C184 H232 I8 N32 Pt8 -","8","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.086","0.0364","","","0.0603","0.0737","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084600","15.6434","0.0008","8.8024","0.0004","21.5436","0.001","90","","97.13","0.002","90","","2943.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 I3 N4 Pt -","- C22 H24 Cl3 I3 N4 Pt -","- C88 H96 Cl12 I12 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.0613","0.0364","","","0.078","0.0883","","","","","","1.019","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084601","8.8073","0.0003","18.8399","0.0005","15.8807","0.0004","90","","90.543","0.002","90","","2634.94","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Br N4 Pt -","- C29 H33 Br N4 Pt -","- C116 H132 Br4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.0506","0.0345","","","0.0658","0.0701","","","","","","1.037","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084602","8.8801","0.0018","14.409","0.003","15.019","0.003","88.68","0.03","81.33","0.03","73.04","0.03","1816.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Br2 Cl2.93 N4 Pt -","- C31 H35 Br2 Cl2.934 N4 Pt -","- C62 H70 Br4 Cl5.868 N8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.0415","0.0365","","","0.0993","0.1018","","","","","","1.051","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084614","13.0261","0.001","13.3711","0.0012","20.8949","0.001","76.794","0.006","88.137","0.007","73.6","0.008","3396.9","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H95 N6 O2 Si4 Sn -","- C65 H95 N6 O2 Si4 Sn -","- C130 H190 N12 O4 Si8 Sn2 -","2","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0644","0.0413","","","0.0794","0.0915","","","","","","1.124","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084615","21.794","0.003","12.094","0.001","23.911","0.0019","90","","95.699","0.012","90","","6271.2","1.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 Cl4 N6 O4 Si4 Sn -","- C56 H80 Cl4 N6 O4 Si4 Sn -","- C224 H320 Cl16 N24 O16 Si16 Sn4 -","4","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0833","0.05","","","0.0898","0.1066","","","","","","1.13","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084616","12.474","0.0009","12.474","0.0009","41.302","0.003","90","","90","","90","","6426.6","0.8","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C60 H80 N6 O3 Si4 Sn -","- C56 H72 N6 O2 Si4 Sn -","- C224 H288 N24 O8 Si16 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0768","0.0656","","","0.1536","0.161","","","","","","1.108","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084617","16.467","0.0011","17.815","0.0011","18.3959","0.0015","90","","90","","90","","5396.6","0.7","150","1","150","1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C46 H74 Cl2 N6 O Si4 Sn -","- C46 H74 Cl2 N6 O Si4 Sn -","- C184 H296 Cl8 N24 O4 Si16 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0895","0.0449","","","0.072","0.0893","","","","","","1.135","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084618","12.179","0.0007","21.885","0.003","25.965","0.004","96.716","0.01","102.547","0.007","101.932","0.008","6513.8","1.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H83 Br N6 O2 Si4 Sn -","- C60.5 H79 Br N6 O2 Si4 Sn -","- C242 H316 Br4 N24 O8 Si16 Sn4 -","4","2","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0571","0.0396","","","0.073","0.0786","","","","","","1.077","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084619","11.043","0.0004","11.5469","0.0007","11.8801","0.0006","100.708","0.004","101.886","0.004","102.09","0.004","1407.4","0.13","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H30 F3 N3 O2 Si Sn -","- C28 H30 F3 N3 O2 Si Sn -","- C56 H60 F6 N6 O4 Si2 Sn2 -","2","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš","Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?","Organometallics","2015","34","11","2202","","10.1021/om500873a","","","0.71073","MoKα","","0.0252","0.0219","","","0.0548","0.058","","","","","","1.13","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084635","11.1634","0.0005","14.746","0.0006","22.1742","0.001","83.641","0.002","89.206","0.002","70.997","0.002","3429.1","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C72 H60 O4 Si4 Sn2 -","- C72 H60 O4 Si4 Sn2 -","- C144 H120 O8 Si8 Sn4 -","2","1","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0645","0.0422","","","0.0947","0.1045","","","","","","1.029","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084636","8.7036","0.0002","9.228","0.0001","13.5312","0.0003","83.7984","0.0007","87.4022","0.0008","66.15","0.0006","988.16","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H44 O4 Si2 Sn2 -","- C42 H44 O4 Si2 Sn2 -","- C42 H44 O4 Si2 Sn2 -","1","0.5","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0274","0.0233","","","0.0618","0.0732","","","","","","1.129","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084637","9.8651","0.0002","12.6482","0.0003","14.6314","0.0003","94.749","0.001","104.798","0.001","105.615","0.001","1677.28","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H30 Cl2 O2 Si2 Sn2 -","- C36 H30 Cl2 O2 Si2 Sn2 -","- C72 H60 Cl4 O4 Si4 Sn4 -","2","1","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0204","0.0193","","","0.0462","0.047","","","","","","1.053","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084638","6.6503","0.0003","10.265","0.0004","9.0775","0.0003","90","","104.833","0.001","90","","599.03","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 Cl2 O2 Sn2 -","- C6 H14 Cl2 O2 Sn2 -","- C12 H28 Cl4 O4 Sn4 -","2","0.5","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0295","0.0282","","","0.0742","0.0751","","","","","","1.088","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084839","14.4062","0.0012","19.8994","0.0016","22.0291","0.0018","64.271","0.004","74.026","0.004","88.309","0.004","5439.8","0.8","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C95 H84 Cl21 D7 F6 N4 O6 Pd2 S2 -","- C95 H91 Cl21 F6 N4 O6 Pd2 S2 -","- C190 H182 Cl42 F12 N8 O12 Pd4 S4 -","2","1","","Fernández-Rodr\?íguez, Mar\?ía-José; Mart\?ínez-Viviente, Elo\?ísa; Vicente, José; Jones, Peter G.","Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide Ligands","Organometallics","2015","34","11","2240","","10.1021/om5010034","","","0.71073","MoKα","","0.1287","0.0746","","","0.1766","0.201","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084840","14.9171","0.0002","22.1678","0.0003","13.1545","0.0003","90","","108.661","0.002","90","","4121.24","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H88 Cl10 N4 O8 Pd2 -","- C80 H88 Cl10 N4 O8 Pd2 -","- C160 H176 Cl20 N8 O16 Pd4 -","2","0.5","","Fernández-Rodr\?íguez, Mar\?ía-José; Mart\?ínez-Viviente, Elo\?ísa; Vicente, José; Jones, Peter G.","Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide Ligands","Organometallics","2015","34","11","2240","","10.1021/om5010034","","","0.71073","MoKα","","0.0417","0.0328","","","0.0902","0.0929","","","","","","1.085","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084841","12.855","0.0004","24.6545","0.0007","13.0448","0.0006","90","","98.382","0.005","90","","4090.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Br F3 N2 O3 Pd S -","- C47 H34 Br F3 N2 O3 Pd S -","- C188 H136 Br4 F12 N8 O12 Pd4 S4 -","4","1","","Fernández-Rodr\?íguez, Mar\?ía-José; Mart\?ínez-Viviente, Elo\?ísa; Vicente, José; Jones, Peter G.","Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide Ligands","Organometallics","2015","34","11","2240","","10.1021/om5010034","","","0.71073","MoKα","","0.0497","0.0305","","","0.0688","0.0707","","","","","","0.904","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084842","14.0869","0.0003","14.8008","0.0002","18.4244","0.0003","90","","108.439","0.003","90","","3644.22","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Br F3 N2 O3 Pd S -","- C42 H32 Br F3 N2 O3 Pd S -","- C168 H128 Br4 F12 N8 O12 Pd4 S4 -","4","1","","Fernández-Rodr\?íguez, Mar\?ía-José; Mart\?ínez-Viviente, Elo\?ísa; Vicente, José; Jones, Peter G.","Mono- and Dipalladated Derivatives of 2,5-Distyrylbenzene. Reactivity toward XyNC and Alkynes. Synthesis of Complexes with Indacenediide Ligands","Organometallics","2015","34","11","2240","","10.1021/om5010034","","","0.71073","MoKα","","0.0383","0.0316","","","0.0803","0.0845","","","","","","1.051","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084927","22.136","0.005","10.892","0.003","9.937","0.002","90","","90","","90","","2395.9","1","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","jonag32","Pt(dtbpe)(MeCCMe)","","- C22 H46 P2 Pt -","- C22 H46 P2 Pt -","- C88 H184 P8 Pt4 -","4","1","","Gunay, Ahmet; Brennessel, William W.; Jones, William D.","Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes","Organometallics","2015","34","11","2233","","10.1021/om500999u","","","0.71073","MoKα","","0.1278","0.0678","","","0.1199","0.1374","","","","","","1.041","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084928","10.218","0.003","11.035","0.003","12.373","0.003","109.409","0.003","91.918","0.004","96.15","0.004","1304.7","0.6","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","jonag31","Pt(dtbpe)(CF3CCCF3)","","- C22 H40 F6 P2 Pt -","- C22 H40 F6 P2 Pt -","- C44 H80 F12 P4 Pt2 -","2","1","","Gunay, Ahmet; Brennessel, William W.; Jones, William D.","Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes","Organometallics","2015","34","11","2233","","10.1021/om500999u","","","0.71073","MoKα","","0.0288","0.0241","","","0.0559","0.0579","","","","","","1.033","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084929","20.245","0.002","8.2006","0.0008","28.514","0.003","90","","97.16","0.001","90","","4697","0.8","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","jonag30","[Pt(dtbpe)]2(MeCC-CCMe)","","- C42 H86 P4 Pt2 -","- C42 H86 P4 Pt2 -","- C168 H344 P16 Pt8 -","4","0.5","","Gunay, Ahmet; Brennessel, William W.; Jones, William D.","Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes","Organometallics","2015","34","11","2233","","10.1021/om500999u","","","0.71073","MoKα","","0.0233","0.0204","","","0.0457","0.0466","","","","","","1.093","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084930","10.7419","0.0017","19.013","0.003","15.925","0.002","90","","103.727","0.002","90","","3159.6","0.8","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","jonag20","Pt(dippe)(Ph)(CC-CCPh)","","- C33 H45 P2 Pt -","- C33 H45 P2 Pt -","- C132 H180 P8 Pt4 -","4","1","","Gunay, Ahmet; Brennessel, William W.; Jones, William D.","Investigation of C‒C Bond Activation of sp‒sp2C‒C Bonds of Acetylene Derivatives via Photolysis of Pt Complexes","Organometallics","2015","34","11","2233","","10.1021/om500999u","","","0.71073","MoKα","","0.1026","0.0574","","","0.1331","0.1587","","","","","","1.095","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084945","7.9728","0.0004","10.9488","0.0005","14.27","0.0008","103.683","0.002","94.758","0.002","100.316","0.002","1180.47","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 Cl Ir P -","- C24 H37 Cl Ir P -","- C48 H74 Cl2 Ir2 P2 -","2","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0222","0.0211","","","0.0537","0.0546","","","","","","0.996","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084946","8.6116","0.0002","14.9595","0.0004","17.305","0.0007","113.275","0.002","101.941","0.002","94.921","0.001","1968.46","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Cl Ir P -","- C20 H29 Cl Ir P -","- C80 H116 Cl4 Ir4 P4 -","4","2","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0227","0.021","","","0.0511","0.0524","","","","","","1.036","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084947","8.0055","0.0015","10.979","0.002","14.17","0.003","103.595","0.005","94.881","0.005","99.872","0.005","1182.3","0.4","173","","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 Cl P Rh -","- C24 H37 Cl P Rh -","- C48 H74 Cl2 P2 Rh2 -","2","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0433","0.0286","","","0.0611","0.0684","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084948","18.1609","0.0009","18.2151","0.0009","19.2306","0.001","74.31","0.002","68.576","0.002","81.856","0.002","5694.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H49 B F24 Ir P -","- C56 H49 B F23.9995 Ir P -","- C224 H196 B4 F95.998 Ir4 P4 -","4","2","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0513","0.0373","","","0.0796","0.088","","","","","","1.021","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084949","12.3738","0.0001","13.0143","0.0001","18.6831","0.0002","88.945","0.001","80.381","0.001","86.717","0.001","2961.37","0.05","173","","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 B F24 Ir P2 -","- C59 H58 B F24 Ir P2 -","- C118 H116 B2 F48 Ir2 P4 -","2","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.033","0.0317","","","0.0762","0.0771","","","","","","1.19","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084950","12.1875","0.0006","15.4248","0.0009","17.4088","0.0009","104.366","0.001","107.736","0.002","100.186","0.001","2904.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H46 B F24 Ir N P -","- C57 H46 B F24 Ir N P -","- C114 H92 B2 F48 Ir2 N2 P2 -","2","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0352","0.0317","","","0.0824","0.0855","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084951","17.6209","0.0006","18.8941","0.0006","36.6859","0.0011","90","","90.0072","0.0016","90","","12213.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 B F24 Ir N P -","- C64 H48 B F24 Ir N P -","- C512 H384 B8 F192 Ir8 N8 P8 -","8","2","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0552","0.0307","","","0.0612","0.0659","","","","","","0.947","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084952","12.835","0.002","35.645","0.005","13.161","0.002","90","","92.468","0.003","90","","6015.6","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H51 B Cl2 F24 P Rh -","- C57 H51 B Cl2 F24 P Rh -","- C228 H204 B4 Cl8 F96 P4 Rh4 -","4","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0959","0.0608","","","0.1413","0.1627","","","","","","1.025","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084953","14.2344","0.0003","14.3864","0.0003","15.1992","0.0003","98.547","0.001","102.499","0.001","109.285","0.001","2785.23","0.1","173","","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 B Br F24 Ir P -","- C56 H48 B Br F24 Ir P -","- C112 H96 B2 Br2 F48 Ir2 P2 -","2","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0202","0.0198","","","0.0506","0.0509","","","","","","1.04","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084954","8.2676","0.0003","9.1408","0.0003","30.4909","0.0011","90","","90","","90","","2304.27","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Ir P -","- C25 H40 Ir P -","- C100 H160 Ir4 P4 -","4","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0434","0.0433","","","0.1107","0.1108","","","","","","1.099","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084985","17.537","0.0006","16.7133","0.0005","19.1594","0.0004","90","","90","","90","","5615.6","0.3","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C224 H232 B8 F32 N8 Ni4 P16 S8 -","4","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","","0.71073","MoKα","","0.0789","0.0433","","","0.109","0.1346","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084986","11.767","0.0005","11.8728","0.0005","12.9035","0.0009","81.235","0.001","85.843","0.001","83.699","0.001","1768.04","0.16","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H62 B2 Cl8 F8 N2 Ni P4 S2 -","- C66 H62 B2 Cl8 F8 N2 Ni P4 S2 -","- C66 H62 B2 Cl8 F8 N2 Ni P4 S2 -","1","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","","0.71073","MoKα","","0.0637","0.0407","","","0.0954","0.1052","","","","","","1.028","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084987","9.2014","0.0004","17.5859","0.0006","18.0179","0.0007","90","","102.111","0.001","90","","2850.67","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 B2 F8 N2 Ni P4 S2 -","- C58 H62 B2 F8 N2 Ni P4 S2 -","- C116 H124 B4 F16 N4 Ni2 P8 S4 -","2","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","","0.71073","MoKα","","0.0673","0.0448","","","0.0988","0.1128","","","","","","1.044","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084988","14.0055","0.0005","12.5518","0.0006","20.8507","0.0007","90","","131.757","0.002","90","","2734.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 N2 Ni P4 S2 -","- C58 H62 Cl2 N2 Ni P4 S2 -","- C116 H124 Cl4 N4 Ni2 P8 S4 -","2","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","x-ray","0.71073","MoKα","","0.11","0.0537","","","0.1305","0.1575","","","","","","1.022","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085018","10.1504","0.0002","17.0701","0.0003","17.8492","0.0004","90","","101.066","0.001","90","","3035.2","0.11","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Li3 O6 Y -","- C24 H54 Li3 O6 Y -","- C96 H216 Li12 O24 Y4 -","4","0.5","","Fischer, Reinald; Bode, Stefan; Köhler, Mathias; Langer, Jens; Görls, Helmar; Hager, Martin D.; Schubert, Ulrich S.; Westerhausen, Matthias","Homoleptic Tris(α,ω-alkanediyl)yttriates of the Type [{Li(dme)}3{Y(CH2-X-CH2)3}] (X = C2H4, C3H6, Si(CH3)2)","Organometallics","2015","34","1","23","","10.1021/om500686c","","","0.71073","MoKα","","0.0611","0.0522","","","0.1287","0.1348","","","","","","1.183","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085019","11.7402","0.0002","16.0232","0.0004","17.8617","0.0003","90","","94.98","0.001","90","","3347.38","0.12","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Li3 O6 Y -","- C27 H60 Li3 O6 Y -","- C108 H240 Li12 O24 Y4 -","4","0.5","","Fischer, Reinald; Bode, Stefan; Köhler, Mathias; Langer, Jens; Görls, Helmar; Hager, Martin D.; Schubert, Ulrich S.; Westerhausen, Matthias","Homoleptic Tris(α,ω-alkanediyl)yttriates of the Type [{Li(dme)}3{Y(CH2-X-CH2)3}] (X = C2H4, C3H6, Si(CH3)2)","Organometallics","2015","34","1","23","","10.1021/om500686c","","","0.71073","MoKα","","0.0361","0.0301","","","0.0697","0.0738","","","","","","1.033","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085020","7.9359","0.0001","12.1367","0.0003","12.7334","0.0003","90","","92.122","0.002","90","","1225.58","0.04","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl2 Li2 O4 -","- C20 H40 Cl2 Li2 O4 -","- C40 H80 Cl4 Li4 O8 -","2","0.5","","Fischer, Reinald; Bode, Stefan; Köhler, Mathias; Langer, Jens; Görls, Helmar; Hager, Martin D.; Schubert, Ulrich S.; Westerhausen, Matthias","Homoleptic Tris(α,ω-alkanediyl)yttriates of the Type [{Li(dme)}3{Y(CH2-X-CH2)3}] (X = C2H4, C3H6, Si(CH3)2)","Organometallics","2015","34","1","23","","10.1021/om500686c","","","0.71073","MoKα","","0.0678","0.0617","","","0.1733","0.1809","","","","","","1.031","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085030","13.6221","0.0008","17.9989","0.001","20.9051","0.0011","81.418","0.002","80.698","0.002","86.124","0.002","4996.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H100 B4 Br4 O12 P4 -","- C80 H100 B4 Br4 O12 P4 -","- C160 H200 B8 Br8 O24 P8 -","2","1","","Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F.","Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids","Organometallics","2015","34","1","254","","10.1021/om501101q","","","0.71073","Mo-Kα","","0.0819","0.0453","","","0.0953","0.1025","","","","","","1.017","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085031","13.9467","0.0013","13.9467","0.0013","29.586","0.003","90","","90","","90","","5754.8","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C84 H104 B4 O16 P4 -","- C84 H104 B4 O16 P4 -","- C168 H208 B8 O32 P8 -","2","0.25","","Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F.","Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids","Organometallics","2015","34","1","254","","10.1021/om501101q","","","0.71073","Mo-Kα","","0.0652","0.0622","","","0.1593","0.1615","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085032","14.9373","0.0016","15.3524","0.0015","18.09","0.002","70.912","0.004","65.758","0.003","77.708","0.003","3559.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H176 B6 O24 P6 -","- C146 H176 B6 O24 P6 -","- C146 H176 B6 O24 P6 -","1","0.5","","Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F.","Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids","Organometallics","2015","34","1","254","","10.1021/om501101q","","","0.71073","Mo-Kα","","0.1112","0.0641","","","0.1566","0.1825","","","","","","1.032","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085033","12.1296","0.0004","12.1655","0.0004","21.0705","0.0007","96.624","0.001","105.933","0.001","102.695","0.002","2865.08","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H89 Ge O1.5 -","- C66 H89 Ge O1.5 -","- C132 H178 Ge2 O3 -","2","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0607","0.0522","","","0.1335","0.1367","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085034","12.1146","0.0012","12.274","0.0012","20.41","0.002","101.839","0.002","93.482","0.002","117.846","0.001","2583","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Sn -","- C60 H74 Sn -","- C120 H148 Sn2 -","2","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0917","0.0606","","","0.0973","0.1056","","","","","","1.083","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085035","12.1327","0.0006","12.1814","0.0006","21.3095","0.001","77.049","0.002","75.092","0.002","78.128","0.002","2929.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H89 O1.5 Pb -","- C66 H89 O1.5 Pb -","- C132 H178 O3 Pb2 -","2","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0377","0.0307","","","0.0747","0.0789","","","","","","1.035","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085036","11.8629","0.0014","12.4867","0.0013","14.7734","0.0015","77.449","0.004","68.731","0.004","82.535","0.004","1987.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 Cl2 Ge -","- C48 H48 Cl2 Ge -","- C96 H96 Cl4 Ge2 -","2","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0442","0.0296","","","0.068","0.0775","","","","","","1.08","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085037","11.2082","0.0004","14.3654","0.0005","24.5106","0.0009","90","","96.432","0.002","90","","3921.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Cl2 Sn -","- C48 H48 Cl2 Sn -","- C192 H192 Cl8 Sn4 -","4","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0662","0.0423","","","0.0761","0.0807","","","","","","1.047","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085038","11.1869","0.0005","14.369","0.0006","24.6932","0.001","90","","96.881","0.001","90","","3940.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Cl2 Pb -","- C48 H48 Cl2 Pb -","- C192 H192 Cl8 Pb4 -","4","1","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0211","0.0172","","","0.0403","0.0497","","","","","","1.139","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085039","26.6325","0.0015","8.2972","0.0005","23.9631","0.0014","90","","90.91","0.002","90","","5294.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H76 Ge O Si2 -","- C58 H76 Ge O Si2 -","- C232 H304 Ge4 O4 Si8 -","4","0.5","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0534","0.0488","","","0.1268","0.129","","","","","","1.154","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085040","15.3704","0.0016","15.3704","0.0016","21.593","0.002","90","","90","","90","","5101.3","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C54 H66 Si2 Sn -","- C54 H66 Si2 Sn -","- C216 H264 Si8 Sn4 -","4","0.5","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.0569","0.0388","","","0.089","0.0965","","","","","","1.067","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085041","15.4042","0.0004","15.4042","0.0004","21.604","0.0008","90","","90","","90","","5126.4","0.3","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C54 H66 Pb Si2 -","- C54 H66 Pb Si2 -","- C216 H264 Pb4 Si8 -","4","0.5","","Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.","Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues","Organometallics","2015","34","11","2222","","10.1021/om500946e","","","0.71073","MoKα","","0.04","0.0209","","","0.0414","0.0536","","","","","","1.195","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085045","10.2869","0.0004","19.8342","0.0007","17.0899","0.0006","90","","100.101","0.001","90","","3432.8","0.2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 B Ir N6 O8 S -","- C31 H42 B Ir N6 O8 S -","- C124 H168 B4 Ir4 N24 O32 S4 -","4","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0193","0.017","","","0.0394","0.0403","","","","","","1.068","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085046","11.0403","0.0006","11.2173","0.0006","30.0051","0.0016","90","","90","","90","","3715.9","0.3","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 B Ir N6 O9 -","- C35 H42 B Ir N6 O9 -","- C140 H168 B4 Ir4 N24 O36 -","4","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0269","0.0262","","","0.0639","0.0642","","","","","","1.058","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085047","21.7786","0.0008","10.7975","0.0004","16.5848","0.0007","90","","97.368","0.002","90","","3867.8","0.3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B Cl2 Ir N6 O9 -","- C32 H44 B Cl2 Ir N6 O9 -","- C128 H176 B4 Cl8 Ir4 N24 O36 -","4","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0432","0.0339","","","0.0839","0.0874","","","","","","1.07","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085048","9.7953","0.0004","12.8887","0.0004","15.6815","0.0006","99.9","0.001","105.737","0.001","109.005","0.001","1726.44","0.11","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 B Ir N6 O9 -","- C31 H42 B Ir N6 O9 -","- C62 H84 B2 Ir2 N12 O18 -","2","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0233","0.0204","","","0.0513","0.0519","","","","","","1.079","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085049","11.1035","0.0005","19.2926","0.001","15.423","0.0007","90","","100.94","0.001","90","","3243.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H72 B2 Cl2 Ir2 N14 O8 -","- C59 H72 B2 Cl2 Ir2 N14 O8 -","- C118 H144 B4 Cl4 Ir4 N28 O16 -","2","0.5","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0412","0.0332","","","0.0949","0.0992","","","","","","1.077","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085050","10.8738","0.0004","11.0633","0.0005","13.0304","0.0005","84.939","0.001","73.779","0.0009","89.687","0.001","1498.99","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 B Ir N6 O4 -","- C30 H38 B Ir N6 O4 -","- C60 H76 B2 Ir2 N12 O8 -","2","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0183","0.0161","","","0.0396","0.04","","","","","","1.064","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085051","25.5107","0.0014","22.5877","0.0011","15.2104","0.0008","90","","90.689","0.001","90","","8764","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B Ir N6 O4 -","- C29 H36 B Ir N6 O4 -","- C348 H432 B12 Ir12 N72 O48 -","12","3","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0648","0.038","","","0.0895","0.0989","","","","","","1.097","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085052","32.6015","0.0014","10.4977","0.0005","23.3279","0.0012","90","","119.492","0.001","90","","6949.3","0.6","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 B Ir N6 O5.5 -","- C33 H45 B Ir N6 O5.5 -","- C264 H360 B8 Ir8 N48 O44 -","8","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0416","0.0319","","","0.0827","0.0856","","","","","","1.073","","","","has coordinates","264242","2021-04-16","08:51:25",""
"4085053","10.8057","0.0004","12.4169","0.0005","14.0635","0.0009","101.592","0.002","99.841","0.002","115.417","0.001","1597.47","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 B Ir N6 O5 -","- C31 H40 B Ir N6 O5 -","- C62 H80 B2 Ir2 N12 O10 -","2","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0171","0.0149","","","0.0336","0.0338","","","","","","1.02","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085054","19.3178","0.0012","12.6907","0.0008","16.9988","0.0011","90","","107.511","0.001","90","","3974.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H70 B4 Zr3 -","- C34 H70 B4 Zr3 -","- C136 H280 B16 Zr12 -","4","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0345","0.0294","","","0.0651","0.0673","","","","","","1.09","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085055","40.5049","0.0018","22.3842","0.001","10.7094","0.0005","90","","90","","90","","9709.9","0.8","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36.44 H75.56 B2.67 Cl0.89 N0.89 O0.89 Zr2.67 -","- C36.4444 H76 B2.66667 Cl0.888889 N0.888889 O0.888889 Zr2.66667 -","- C328 H684 B24 Cl8 N8 O8 Zr24 -","9","1.125","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.099","0.0748","","","0.1532","0.1631","","","","","","1.13","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085056","10.4966","0.0009","11.5916","0.001","13.3351","0.0012","71.117","0.002","87.091","0.002","67.502","0.002","1413.4","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C52 H70 B5 F15 Zr3 -","- C52 H70 B5 F15 Zr3 -","- C52 H70 B5 F15 Zr3 -","1","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0338","0.0322","","","0.0674","0.0685","","","","","","1.014","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085057","10.9137","0.0006","16.3182","0.001","22.3482","0.0013","90","","96.7552","0.0013","90","","3952.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H69 B4 Cl Zr3 -","- C34 H69 B4 Cl Zr3 -","- C136 H276 B16 Cl4 Zr12 -","4","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0591","0.0445","","","0.0918","0.0971","","","","","","1.08","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085058","29.5486","0.0014","11.1884","0.0005","12.1294","0.0006","90","","90","","90","","4010","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H70 B4 O Zr3 -","- C34 H70 B4 O Zr3 -","- C136 H280 B16 O4 Zr12 -","4","1","","Liu, Fu-Chen; Chen, Heng-Guang; Lee, Gene-Hsiang","Trinuclear Zirconium Polyhydride ({Cp*Zr(BH3CH3)}(μ-H)2{Cp*Zr(BH3CH3)}(μ-H){Cp*Zr(BH3CH3)})(μ-κ2C,H:κ1C:κ2C,H-CHBH3) and Its Derivatives: Compounds Containing a Pentacoordinated Carbon Atom","Organometallics","2015","34","1","42","","10.1021/om500773e","","","0.71073","MoKα","","0.0885","0.0672","","","0.1001","0.1075","","","","","","1.093","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085059","11.4995","0.0005","11.7259","0.0005","14.345","0.0005","106.539","0.002","97.51","0.002","92.816","0.002","1830.77","0.13","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 B2 F15 Si2 -","- C36 H27 B2 F15 Si2 -","- C72 H54 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of Boroles Formed by 1,1-Carboboration","Organometallics","2015","34","1","229","","10.1021/om501085j","","","1.54178","CuKα","","0.0471","0.0417","","","0.1076","0.1124","","","","","","1.044","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085060","10.5318","0.0003","10.7243","0.0003","19.1097","0.0005","103.289","0.0012","91.158","0.0012","114.312","0.0011","1898.17","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 B2 F15 Si2 -","- C39 H31 B2 F15 Si2 -","- C78 H62 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of Boroles Formed by 1,1-Carboboration","Organometallics","2015","34","1","229","","10.1021/om501085j","","","1.54178","CuKα","","0.0434","0.039","","","0.0929","0.0958","","","","","","1.017","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085061","9.9195","0.0003","20.1849","0.0006","20.2529","0.0006","90","","93.012","0.001","90","","4049.5","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 B2 Cl2 F14 N2 Si -","- C42 H26 B2 Cl2 F14 N2 Si -","- C168 H104 B8 Cl8 F56 N8 Si4 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of Boroles Formed by 1,1-Carboboration","Organometallics","2015","34","1","229","","10.1021/om501085j","","","1.54178","CuKα","","0.0606","0.0492","","","0.1248","0.1332","","","","","","1.042","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085062","10.5302","0.0003","16.2392","0.0004","21.4935","0.0007","90","","102.553","0.001","90","","3587.57","0.18","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 B2 F15 O Si2 -","- C35 H23 B2 F15 O Si2 -","- C140 H92 B8 F60 O4 Si8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of Boroles Formed by 1,1-Carboboration","Organometallics","2015","34","1","229","","10.1021/om501085j","","","1.54178","CuKα","","0.0446","0.0422","","","0.1126","0.1147","","","","","","1.042","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085063","10.0744","0.0003","13.5124","0.0005","19.2866","0.0009","70.732","0.003","75.681","0.002","73.754","0.004","2344.38","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 B2 F15 N2 Si2 -","- C44 H33 B2 F15 N2 Si2 -","- C88 H66 B4 F30 N4 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of Boroles Formed by 1,1-Carboboration","Organometallics","2015","34","1","229","","10.1021/om501085j","","","1.54178","CuKα","","0.0564","0.0512","","","0.15","0.1554","","","","","","1.078","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085064","9.829","0.004","13.481","0.003","19.904","0.007","90","","90","","90","","2637.4","1.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 Fe N3 O2 -","- C30 H24 Cl2 Fe N3 O2 -","- C120 H96 Cl8 Fe4 N12 O8 -","4","1","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","0.71073","MoKα","","0.088","0.067","","","0.1592","0.1747","","","","","","1.038","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085065","16.2274","0.0002","16.2274","0.0002","13.1725","0.0003","90","","90","","90","","3468.69","0.1","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C38 H40 Cl Fe N3 O4 -","- C38 H40 Cl Fe N3 O4 -","- C152 H160 Cl4 Fe4 N12 O16 -","4","0.5","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","1.54178","CuKα","","0.0373","0.0306","","","0.0804","0.084","","","","","","1.046","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085066","10.295","0.003","18.192","0.004","20.799","0.005","90","","90","","90","","3895.4","1.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Fe N3 O4 -","- C41 H39 Fe N3 O4 -","- C164 H156 Fe4 N12 O16 -","4","1","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","0.71073","MoKα","","0.1084","0.0721","","","0.1602","0.1797","","","","","","0.941","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085067","15.3438","0.0011","19.525","0.0014","19.6769","0.0014","90","","92.122","0.005","90","","5890.9","0.7","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Compound 4.C6H6","","","- C60 H78 Au2 N4 O2 -","- C60 H74 Au2.04 N4 O2 -","- C240 H296 Au8.16 N16 O8 -","4","0.5","","Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred","Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.","Organometallics","2015","34","11","2098","2101","10.1021/om501165z","","","0.71075","Mo-Kα","","0.0775","0.076","","","0.1764","0.1768","","","","","","1.288","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085068","12.4797","0.0009","41.783","0.003","21.4315","0.0015","90","","94.201","0.001","90","","11145.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 5.3(THF)","","","- C94 H133 Au3 N6 O7 -","- C97 H108 Au3 N6 O4 -","- C388 H432 Au12 N24 O16 -","4","1","","Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred","Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.","Organometallics","2015","34","11","2098","2101","10.1021/om501165z","","","0.71073","MoKα","","0.0932","0.0653","","","0.1778","0.1912","","","","","","1.055","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085069","15.1887","0.0011","24.4609","0.0017","24.3362","0.0017","90","","94.2705","0.0011","90","","9016.5","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 6.3(C6H6)","","","- C101 H133 Au N4 O2 -","- C101 H131 Au N4 O2 -","- C404 H524 Au4 N16 O8 -","4","1","","Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred","Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.","Organometallics","2015","34","11","2098","2101","10.1021/om501165z","","","0.71075","MoKα","","0.157","0.1084","","","0.2919","0.3103","","","","","","1.095","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085070","14.3925","0.0008","17.5114","0.0011","18.3676","0.0011","90","","90","","90","","4629.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H79 B Br2 P2 Pt -","- C46 H79 B Br2 P2 Pt -","- C184 H316 B4 Br8 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof","Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes","Organometallics","2015","34","11","2343","","10.1021/om501141g","","","0.71073","MoKα","","0.0265","0.0229","","","0.0422","0.0428","","","","","","1.019","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085071","13.0435","0.0017","14.2865","0.0018","14.9344","0.0018","80.703","0.004","89.627","0.004","72.306","0.004","2613.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H79 B Br2 P2 Pt -","- C46 H79 B Br2 P2 Pt -","- C92 H158 B2 Br4 P4 Pt2 -","2","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof","Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes","Organometallics","2015","34","11","2343","","10.1021/om501141g","","","0.71073","MoKα","","0.0611","0.0407","","","0.0848","0.0907","","","","","","0.954","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085072","13.0971","0.0009","17.3259","0.0014","20.8371","0.0015","71.694","0.004","75.3","0.004","85.345","0.004","4342.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H91 B2 Br F24 P2 Pt -","- C78 H91 B2 Br F24 P2 Pt -","- C156 H182 B4 Br2 F48 P4 Pt2 -","2","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof","Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes","Organometallics","2015","34","11","2343","","10.1021/om501141g","","","0.71073","MoKα","","0.0567","0.0489","","","0.1285","0.1335","","","","","","1.033","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085073","14.935","0.006","24.927","0.013","18.515","0.008","90","","97.572","0.009","90","","6833","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H69 B2 Br Cl2 F24 P2 Pt -","- C61 H69 B2 Br Cl2 F24 P2 Pt -","- C244 H276 B8 Br4 Cl8 F96 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof","Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes","Organometallics","2015","34","11","2343","","10.1021/om501141g","","","0.71073","MoKα","","0.0621","0.0374","","","0.0662","0.0727","","","","","","1.033","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085074","10.5892","0.0001","15.0648","0.0003","16.6403","0.0003","87.4997","0.0016","72.4781","0.0015","86.4878","0.0012","2525.73","0.07","150","","150","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C37 H46 B2 Cl2 Mo2 N12 O4 S -","- C37 H46 B2 Cl2 Mo2 N12 O4 S -","- C74 H92 B4 Cl4 Mo4 N24 O8 S2 -","2","1","","Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C.","Thioxoethenylidene (CCS) as a Bridging Ligand","Organometallics","2015","34","1","328","","10.1021/om5011319","","","1.54184","CuKα","","0.0404","0.0367","","0.0964","0.0909","0.0964","","","","","","0.9429","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085075","13.5866","0.0002","8.3741","0.0001","21.0109","0.0003","90","","107.16","0.0006","90","","2284.12","0.05","200","","200","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B Cl2 Mo N6 O2 S2 -","- C17 H15 B Cl2 Mo N6 O2 S2 -","- C68 H60 B4 Cl8 Mo4 N24 O8 S8 -","4","1","","Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C.","Thioxoethenylidene (CCS) as a Bridging Ligand","Organometallics","2015","34","1","328","","10.1021/om5011319","","","0.71073","MoKα","","0.03","0.0237","","0.03","0.0254","0.0254","","","","","","1.1389","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085076","8.7559","0.0002","10.5611","0.0003","9.3255","0.0002","90","","98.3028","0.0008","90","","853.31","0.04","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C40 H32 Br4 Fe4 -","2","0.5","","Tahara, Keishiro; Terashita, Nazuna; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi; Tokunaga, Ken","Electrochemistry, Charge Transfer Properties, and Theoretical Investigation of a Macrocyclic Boronate Dimer of 1′,1‴-Biferrocenediboronic Acid and Related Ferrocenyl Boronate Complexes","Organometallics","2015","34","1","299","","10.1021/om501129a","","","0.71075","MoKα","","","0.0438","","","","0.1013","","","","","","1.086","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085077","8.8489","0.0003","7.33479","0.00014","12.5223","0.0003","90","","99.9694","0.0007","90","","800.49","0.04","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe2 O2 -","- C22 H18 Fe2 O2 -","- C44 H36 Fe4 O4 -","2","0.5","","Tahara, Keishiro; Terashita, Nazuna; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi; Tokunaga, Ken","Electrochemistry, Charge Transfer Properties, and Theoretical Investigation of a Macrocyclic Boronate Dimer of 1′,1‴-Biferrocenediboronic Acid and Related Ferrocenyl Boronate Complexes","Organometallics","2015","34","1","299","","10.1021/om501129a","","","0.71075","MoKα","","","0.0337","","","","0.0984","","","","","","1.075","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085078","5.73507","0.0001","12.3997","0.0003","14.2777","0.0003","90","","94.8623","0.0007","90","","1011.68","0.04","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B2 Fe2 O4 -","- C24 H24 B2 Fe2 O4 -","- C48 H48 B4 Fe4 O8 -","2","0.5","","Tahara, Keishiro; Terashita, Nazuna; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi; Tokunaga, Ken","Electrochemistry, Charge Transfer Properties, and Theoretical Investigation of a Macrocyclic Boronate Dimer of 1′,1‴-Biferrocenediboronic Acid and Related Ferrocenyl Boronate Complexes","Organometallics","2015","34","1","299","","10.1021/om501129a","","","0.71075","MoKα","","","0.0345","","","","0.0935","","","","","","1.102","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085079","19.519","0.017","15.046","0.012","24.98","0.02","90","","110.579","0.005","90","","6868","10","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H62 F24 Ge2 N2 O8 -","- C63 H62 F24 Ge2 N2 O8 -","- C252 H248 F96 Ge8 N8 O32 -","4","1","","Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru","Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms","Organometallics","2015","34","1","56","","10.1021/om500814g","","","0.7107","MoKα","","0.063","0.0502","","","0.1111","0.128","","","","","","1.135","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085080","11.4038","0.0004","11.2214","0.0003","17.0504","0.0004","90","","96.072","0.007","90","","2169.64","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 F24 Ge2 O4 -","- C40 H26 F24 Ge2 O4 -","- C80 H52 F48 Ge4 O8 -","2","1","","Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru","Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms","Organometallics","2015","34","1","56","","10.1021/om500814g","","","0.71075","MoKα","","","0.0439","","","","0.1343","","","","","","1.044","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085081","16.9831","0.0008","15.8709","0.0007","20.2743","0.001","90","","107.969","0.002","90","","5198.1","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 F24 Ge2 N O4 -","- C50 H41 F24 Ge2 N O4 -","- C200 H164 F96 Ge8 N4 O16 -","4","1","","Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru","Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms","Organometallics","2015","34","1","56","","10.1021/om500814g","","","0.7107","MoKα","","0.0606","0.0568","","","0.105","0.1064","","","","","","1.316","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085082","8.4644","0.0004","13.9975","0.0005","8.5546","0.0004","90","","114.26","0.003","90","","924.05","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N Y -","- C19 H32 N Y -","- C38 H64 N2 Y2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0416","0.0395","","","0.0918","0.0928","","","","","","1.154","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085083","8.4569","0.0008","13.9798","0.0013","8.5604","0.0008","90","","114.331","0.007","90","","922.17","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 Ho N -","- C19 H32 Ho N -","- C38 H64 Ho2 N2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0304","0.0284","","","0.0667","0.0677","","","","","","1.052","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085084","8.4482","0.0009","13.9076","0.001","8.5517","0.0009","90","","114.482","0.008","90","","914.44","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 Lu N -","- C19 H32 Lu N -","- C38 H64 Lu2 N2 -","2","1","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0198","0.0179","","","0.0394","0.0399","","","","","","1.051","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085085","8.7736","0.0009","10.4931","0.0015","12.2435","0.0015","67.958","0.011","81.853","0.009","74.973","0.01","1007.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H62 Cl2 N2 Nd2 -","- C39 H62 Cl2 N2 Nd2 -","- C39 H62 Cl2 N2 Nd2 -","1","0.5","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.043","0.0338","","","0.0715","0.0919","","","","","","1.223","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085086","14.063","0.0011","17.0674","0.0012","17.9374","0.0014","66.845","0.006","68.304","0.006","88.529","0.006","3641.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H216 Al4 Cl12 Ho6 N6 -","- C126 H216 Al4 Cl12 Ho6 N6 -","- C126 H216 Al4 Cl12 Ho6 N6 -","1","0.5","","Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization","Organometallics","2015","34","1","32","","10.1021/om500725g","","","0.71073","MoKα","","0.0498","0.0424","","","0.0992","0.1027","","","","","","1.1","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085087","11.4872","0.0008","13.547","0.0009","17.4164","0.0012","72.4156","0.0008","89.1254","0.0008","69.038","0.0008","2399.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H40 Cl9 Ir N2 O P2 -","- C47 H40 Cl9 Ir N2 O P2 -","- C94 H80 Cl18 Ir2 N4 O2 P4 -","2","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Garralda, María A.","On the Reactivity of Dihydridoirida-β-diketones with 2-Aminopyridines. Formation of Acylhydrido Complexes with New PCN Terdentate Ligands","Organometallics","2015","34","1","348","","10.1021/om5011353","","","0.71069","MoKα","","0.0518","0.0443","","","0.1096","0.1154","","","","","","1.059","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085088","10.406","0.0008","10.879","0.0008","33.2805","0.0019","90","","105.476","0.002","90","","3631","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Ir N2 O2 P2 -","- C44 H37 Ir N2 O2 P2 -","- C176 H148 Ir4 N8 O8 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Garralda, María A.","On the Reactivity of Dihydridoirida-β-diketones with 2-Aminopyridines. Formation of Acylhydrido Complexes with New PCN Terdentate Ligands","Organometallics","2015","34","1","348","","10.1021/om5011353","","","0.71069","MoKα","","0.0318","0.0267","","","0.0615","0.0646","","","","","","1.039","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085089","21.727","0.003","19.996","0.003","18.059","0.002","90","","109.623","0.001","90","","7390.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Ir N2 O2 P2 -","- C45 H39 Ir N2 O2 P2 -","- C360 H312 Ir8 N16 O16 P16 -","8","2","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Garralda, María A.","On the Reactivity of Dihydridoirida-β-diketones with 2-Aminopyridines. Formation of Acylhydrido Complexes with New PCN Terdentate Ligands","Organometallics","2015","34","1","348","","10.1021/om5011353","","","0.71073","MoKα","","0.0552","0.0413","","","0.1046","0.1131","","","","","","1.105","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085090","10.922","0.0006","37.811","0.0019","10.723","0.0006","90","","113.966","0.001","90","","4046.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Cl3 Ir N2 O2 P2 -","- C45 H38 Cl3 Ir N2 O2 P2 -","- C180 H152 Cl12 Ir4 N8 O8 P8 -","4","1","","Zumeta, Itziar; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Garralda, María A.","On the Reactivity of Dihydridoirida-β-diketones with 2-Aminopyridines. Formation of Acylhydrido Complexes with New PCN Terdentate Ligands","Organometallics","2015","34","1","348","","10.1021/om5011353","","","0.71069","MoKα","","0.0409","0.0329","","","0.0724","0.0761","","","","","","1.047","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085091","10.3173","0.0009","18.9616","0.0017","28.18","0.003","90","","93.9811","0.0012","90","","5499.6","0.9","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 Cl2 O10 P2 Pd2 -","- C59 H60 Cl2 O10 P2 Pd2 -","- C236 H240 Cl8 O40 P8 Pd8 -","4","1","","Wakioka, Masayuki; Nakamura, Yuki; Montgomery, Michelle; Ozawa, Fumiyuki","Remarkable Ligand Effect of P(2-MeOC6H4)3on Palladium-Catalyzed Direct Arylation","Organometallics","2015","34","1","198","","10.1021/om501052g","","x-ray","0.7107","MoKα","","0.0438","0.0405","","","0.1076","0.1135","","","","","","1.101","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085092","14.9591","0.0015","16.4861","0.0018","23.666","0.003","81.235","0.004","78.161","0.004","76.153","0.003","5513.4","1.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 O5 P Pd -","- C31 H33 O5 P Pd -","- C248 H264 O40 P8 Pd8 -","8","4","","Wakioka, Masayuki; Nakamura, Yuki; Montgomery, Michelle; Ozawa, Fumiyuki","Remarkable Ligand Effect of P(2-MeOC6H4)3on Palladium-Catalyzed Direct Arylation","Organometallics","2015","34","1","198","","10.1021/om501052g","","x-ray","0.7107","MoKα","","0.0564","0.0473","","","0.114","0.1191","","","","","","1.084","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085093","28.129","0.004","15.31","0.002","8.1513","0.001","90","","90","","90","","3510.4","0.8","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35.5 H23 Cl F8 N3 P Pt -","- C35.5 H23 Cl F8 N3 P Pt -","- C142 H92 Cl4 F32 N12 P4 Pt4 -","4","1","","O’Brien, Cameron; Wong, Michael Yin; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization","Organometallics","2015","34","1","13","","10.1021/om5006512","","","0.71075","MoKα","","","0.0663","","","","0.1868","","","","","","1.01","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085094","12.2526","0.0012","12.2779","0.001","12.701","0.0016","65.087","0.007","83.608","0.01","65.577","0.009","1573.3","0.3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 F6 N3 O2 P Pt -","- C37 H28 F6 N3 O2 P Pt -","- C74 H56 F12 N6 O4 P2 Pt2 -","2","1","","O’Brien, Cameron; Wong, Michael Yin; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization","Organometallics","2015","34","1","13","","10.1021/om5006512","","","0.71075","MoKα","","","0.0165","","","","0.041","","","","","","1.036","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085095","10.395","0.002","19.416","0.004","20.274","0.004","100.755","0.004","93.402","0.005","94.406","0.004","3996.8","1.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H57 Al N4 O2 -","- C43 H57 Al N4 O2 -","- C172 H228 Al4 N16 O8 -","4","2","","Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong","Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2015","34","1","105","","10.1021/om500950p","","","0.71073","MoKα","","0.094","0.0698","","","0.1606","0.178","","","","","","1.004","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085096","14.725","0.002","16.853","0.002","18.508","0.003","90","","90","","90","","4593","1.1","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H59 Al N2 O2 -","- C55 H59 Al N2 O2 -","- C220 H236 Al4 N8 O8 -","4","1","","Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong","Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2015","34","1","105","","10.1021/om500950p","","","0.71073","MoKα","","0.0423","0.0399","","","0.1012","0.1031","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085097","10.642","0.002","22.683","0.005","17.172","0.003","90","","105.821","0.003","90","","3988.2","1.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Al N4 O2 -","- C41 H65 Al N4 O2 -","- C164 H260 Al4 N16 O8 -","4","1","","Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong","Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2015","34","1","105","","10.1021/om500950p","","","0.71073","MoKα","","0.0737","0.0687","","","0.1669","0.1709","","","","","","1.054","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4085098","17.201","0.003","22.916","0.005","17.849","0.004","90","","109.74","0.03","90","","6622","3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 B Cl4 F4 N2 O5.5 Os P3 -","- C66 H59 B Cl4 F4 N2 O5.5 Os P3 -","- C264 H236 B4 Cl16 F16 N8 O22 Os4 P12 -","4","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0814","0.0646","","","0.1827","0.2127","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085099","19.331","0.004","12.429","0.003","22.174","0.004","90","","92.62","0.03","90","","5322.1","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48 Cl2 O Os P3 -","- C59 H48 Cl2 O Os P3 -","- C236 H192 Cl8 O4 Os4 P12 -","4","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0591","0.0493","","","0.1566","0.1656","","","","","","0.992","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085100","12.1415","0.0002","12.1688","0.0003","18.3764","0.0003","71.597","0.001","74.27","0.001","75.959","0.001","2442.81","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 Cl2 O2 Os P3 -","- C59 H48 Cl2 O2 Os P3 -","- C118 H96 Cl4 O4 Os2 P6 -","2","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0753","0.046","","","0.1073","0.1788","","","","","","1.099","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085101","12.388","0.003","12.869","0.003","18.608","0.004","100.36","0.03","95.06","0.03","95.18","0.03","2889.7","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H57 B Cl3 F4 O2 Os P3 -","- C64 H57 B Cl3 F4 O2 Os P3 -","- C128 H114 B2 Cl6 F8 O4 Os2 P6 -","2","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0448","0.037","","","0.1234","0.1557","","","","","","0.996","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085102","15.663","0.003","23.912","0.005","18.781","0.004","90","","91.49","0.03","90","","7032","2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C74 H64 B2 Cl4 F8 N O2 Os P3 -","- C74 H64 B2 Cl4 F8 N O2 Os P3 -","- C296 H256 B8 Cl16 F32 N4 O8 Os4 P12 -","4","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0744","0.0522","","","0.1431","0.1732","","","","","","0.98","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085103","12.1","0.002","13.567","0.003","22.242","0.004","77.41","0.03","78.38","0.03","67.03","0.03","3253.3","1.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H60 B2 Cl4 F8 N O2 Os P3 -","- C68 H60 B2 Cl4 F8 N O2 Os P3 -","- C136 H120 B4 Cl8 F16 N2 O4 Os2 P6 -","2","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.1206","0.0725","","","0.1505","0.1804","","","","","","0.993","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085104","9.5727","0.0003","16.8679","0.0004","23.5196","0.0006","90","","90","","90","","3797.74","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Cl2 Os P2 -","- C45 H38 Cl2 Os P2 -","- C180 H152 Cl8 Os4 P8 -","4","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0549","0.0344","","","0.0441","0.0467","","","","","","0.768","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085105","11.5341","0.0003","16.1333","0.0003","12.3436","0.0003","90","","99.719","0.001","90","","2263.97","0.09","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 B Cl F4 O2 Os P2 -","- C49 H40 B Cl F4 O2 Os P2 -","- C98 H80 B2 Cl2 F8 O4 Os2 P4 -","2","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0622","0.0476","","","0.1117","0.1314","","","","","","1.085","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085106","8.7597","0.0003","9.5564","0.0003","10.3206","0.0004","66.309","0.002","77.213","0.002","72.572","0.002","749.76","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C20H26IrO3S","","","- C34 H38 Ir2 O2 S2 -","- C34 H38 Ir2 O2 S2 -","- C34 H38 Ir2 O2 S2 -","1","0.5","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0404","0.0381","","","0.0944","0.0958","","","","","","1.035","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085107","8.3288","0.0002","15.1784","0.0004","13.2998","0.0004","90","","101.672","0.002","90","","1646.57","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H19 Ir O2 S -","- C18 H19 Ir O2 S -","- C72 H76 Ir4 O8 S4 -","4","1","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0426","0.0394","","","0.0917","0.0935","","","","","","1.03","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085108","8.6278","0.0003","13.2227","0.0004","16.0076","0.0005","90","","90","","90","","1826.19","0.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","DF5-55h","","","- C18 H22 I Ir O S -","- C18 H22 I Ir O S -","- C72 H88 I4 Ir4 O4 S4 -","4","1","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0328","0.033","","","","","","1.054","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085109","10.4451","0.0003","11.2528","0.0003","16.5796","0.0005","91.642","0.002","106.996","0.001","100.063","0.001","1828.34","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","6-8","","","- C36 H41 F3 Ir2 O5 S3 -","- C36 H41 F3 Ir2 O5 S3 -","- C72 H82 F6 Ir4 O10 S6 -","2","1","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0217","0.0165","","","0.0359","0.0371","","","","","","1.019","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085110","20.396","0.001","20.504","0.001","28.858","0.001","110.041","0.001","103.856","0.001","90.028","0.001","10962.5","0.9","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 Li O2 P4 S4 Sc -","- C58 H56 Li O2 P4 S4 Sc -","- C464 H448 Li8 O16 P32 S32 Sc8 -","8","4","","Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas","Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives","Organometallics","2015","34","1","63","","10.1021/om500868a","","","0.71069","MoKα","","0.1267","0.0866","","","0.2526","0.2706","","","","","","1.076","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085111","27.085","0.001","21.739","0.001","19.163","0.001","90","","99.38","0.003","90","","11132.3","0.9","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H61 O2.5 P4 S4 Sc -","- C54 H49 O P4 S4 Sc -","- C432 H392 O8 P32 S32 Sc8 -","8","2","","Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas","Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives","Organometallics","2015","34","1","63","","10.1021/om500868a","","","0.71069","MoKα","","0.0862","0.0628","","","0.1509","0.1645","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085112","10.681","0.001","11.782","0.001","16.324","0.001","90","","108.894","0.001","90","","1943.6","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H46 N O P2 S2 Sc Si2 -","- C35 H46 N O P2 S2 Sc Si2 -","- C70 H92 N2 O2 P4 S4 Sc2 Si4 -","2","1","","Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas","Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives","Organometallics","2015","34","1","63","","10.1021/om500868a","","","0.71069","MoKα","","0.0324","0.0297","","","0.0806","0.0832","","","","","","1.024","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085113","15.4243","0.0006","17.824","0.0007","19.8192","0.0008","64.902","0.001","67.2485","0.001","70.2251","0.001","4450.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H48 N2 P3 S2 Sc Si2 -","- C41 H48 N2 P3 S2 Sc Si2 -","- C164 H192 N8 P12 S8 Sc4 Si8 -","4","2","","Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas","Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives","Organometallics","2015","34","1","63","","10.1021/om500868a","","","0.71073","MoKα","","0.0679","0.0369","","","0.0774","0.0886","","","","","","1.01","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085114","8.204","0.0016","10.755","0.002","12.969","0.003","66.47","0.03","76.5","0.03","87.23","0.03","1018.9","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H42 Mg -","- C58 H42 Mg -","- C58 H42 Mg -","1","0.5","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.7107","Synchrotron","","0.0878","0.0695","","","0.1942","0.2096","","","","","","1.096","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085115","10.242","0.0005","40.367","0.002","11.1505","0.0005","90","","105.518","0.002","90","","4442","0.4","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Ca O -","- C62 H50 Ca O -","- C248 H200 Ca4 O4 -","4","1","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.71073","MoKα","","0.1612","0.0682","","","0.1214","0.1502","","","","","","0.99","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085116","11.3598","0.0006","12.5296","0.0009","14.3526","0.0007","92.999","0.003","90.558","0.002","115.076","0.002","1846.63","0.19","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H98 Br2 Ca2 O7 -","- C86 H98 Br2 Ca2 O7 -","- C86 H98 Br2 Ca2 O7 -","1","0.5","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.71073","MoKα","","0.0495","0.0368","","","0.084","0.0891","","","","","","1.038","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085117","11.3758","0.0004","12.5225","0.0005","14.3701","0.0005","93.069","0.002","90.738","0.002","115.19","0.002","1848.3","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H82 Br2 O7 Yb2 -","- C86 H82 Br2 O7 Yb2 -","- C86 H82 Br2 O7 Yb2 -","1","0.5","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.71073","MoKα","","0.0278","0.0229","","","0.0537","0.0555","","","","","","1.059","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085118","11.8774","0.0004","12.5527","0.0004","15.7359","0.0005","66.702","0.001","81.237","0.002","83.161","0.002","2125.19","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H106 Br2 O4 Yb2 -","- C102 H106 Br2 O4 Yb2 -","- C102 H106 Br2 O4 Yb2 -","1","0.5","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.71073","MoKα","","0.0249","0.0212","","","0.0498","0.0512","","","","","","1.044","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085119","10.123","0.002","12.975","0.003","19.538","0.004","78.32","0.03","89.11","0.03","73.78","0.03","2410.8","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H69 K O9 -","- C53 H69 K O9 -","- C106 H138 K2 O18 -","2","1","","Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Kelly, Rory P.","Bulky Group 2 Octaphenylmetallocenes and Direct Access to Calcium and Ytterbium Pseudo-Grignard Complexes","Organometallics","2015","34","11","2369","","10.1021/om501150b","","","0.7109","Synchrotron","","0.0967","0.0658","","","0.1679","0.189","","","","","","1.03","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085120","14.7816","0.0005","14.7816","0.0005","48.415","0.003","90","","90","","90","","10578.5","0.8","100","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C64 H44 F2 Ir2 N4 S4 -","- C64 H44 F2 Ir2 N4 S4 -","- C512 H352 F16 Ir16 N32 S32 -","8","0.25","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","x-ray","0.71073","MoKα","","0.0718","0.0318","","","0.0549","0.0673","","","","","","1.077","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4085121","10.291","0.003","17.035","0.005","15.064","0.004","90","","95.208","0.004","90","","2629.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 F Ir N4 S2 -","- C31 H24 F Ir N4 S2 -","- C124 H96 F4 Ir4 N16 S8 -","4","1","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","","0.71073","MoKα","","0.0983","0.0576","","","0.1319","0.1501","","","","","","1.01","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085122","10.399","0.006","16.928","0.009","15.294","0.008","90","","94.013","0.007","90","","2686","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl Ir N4 S2 -","- C31 H24 Cl Ir N4 S2 -","- C124 H96 Cl4 Ir4 N16 S8 -","4","1","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","","0.71073","MoKα","","0.1007","0.0643","","","0.1436","0.1629","","","","","","1.032","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085123","16.573","0.002","11.8257","0.0015","16.296","0.002","90","","98.46","0.002","90","","3159.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Ir N4 S3 -","- C37 H29 Ir N4 S3 -","- C148 H116 Ir4 N16 S12 -","4","1","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","","0.71073","MoKα","","0.0427","0.0384","","","0.0985","0.102","","","","","","1.062","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085124","10.204","0.004","17.3","0.008","15.848","0.007","90","","91.957","0.007","90","","2796","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cl0.13 Ir N6.6 S2 -","- C31 H24 Cl0.133 Ir N6.601 S2 -","- C124 H96 Cl0.532 Ir4 N26.404 S8 -","4","1","","Maity, Ayan; Stanek, Robert J.; Anderson, Bryce L.; Zeller, Matthias; Hunter, Allen D.; Moore, Curtis E.; Rheingold, Arnold L.; Gray, Thomas G.","Fluoride Complexes of Cyclometalated Iridium(III)","Organometallics","2015","34","1","109","","10.1021/om5009555","","","0.71073","MoKα","","0.0619","0.0433","","","0.0951","0.1028","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085125","18.9215","0.001","18.9215","0.001","12.4689","0.0006","90","","90","","90","","4464.2","0.4","293","2","293","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C36 H53 Fe4 Ir N2 O12 -","- C36 H53 Fe4 Ir N2 O12 -","- C144 H212 Fe16 Ir4 N8 O48 -","4","0.5","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.0463","0.0363","","","0.1","0.1083","","","","","","1.075","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085126","17.9672","0.0009","15.9083","0.0008","11.6754","0.0006","90","","90","","90","","3337.2","0.3","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H34 Fe4 Ir N O12 -","- C28 H34 Fe4 Ir N O12 -","- C112 H136 Fe16 Ir4 N4 O48 -","4","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.043","0.0291","","","0.0491","0.0539","","","","","","1.031","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085127","16.4813","0.0009","16.3435","0.0009","22.2827","0.0012","90","","90","","90","","6002.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H34 Fe3 Ir N O10 -","- C26 H34 Fe3 Ir N O10 -","- C208 H272 Fe24 Ir8 N8 O80 -","8","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.0494","0.0261","","","0.0486","0.0561","","","","","","1.032","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085128","9.7269","0.0005","9.7269","0.0005","43.282","0.002","90","","90","","120","","3546.4","0.3","133","2","133","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H33 Bi N2 -","- C26 H33 Bi N2 -","- C156 H198 Bi6 N12 -","6","1","","Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.","Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes","Organometallics","2015","34","1","395","","10.1021/om5010786","","","0.71073","MoKα","","0.0197","0.0182","","","0.0361","0.0364","","","","","","1.106","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085129","9.8001","0.0005","10.5018","0.0006","16.8532","0.0009","90","","90","","90","","1734.51","0.16","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Bi -","- C21 H21 Bi -","- C84 H84 Bi4 -","4","1","","Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.","Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes","Organometallics","2015","34","1","395","","10.1021/om5010786","","","0.71073","MoKα","","0.0155","0.0142","","","0.0304","0.0307","","","","","","1.029","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085130","10.007","0.0017","18.858","0.003","9.0388","0.0014","90","","100.884","0.005","90","","1675","0.5","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H16 Au Cl N2 -","- C19 H16 Au Cl N2 -","- C76 H64 Au4 Cl4 N8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0277","0.0267","","","0.0519","0.0522","","","","","","0.762","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085131","12.4696","0.0012","13.7218","0.0013","15.3914","0.0016","90","","99.851","0.003","90","","2594.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Au Cl N2 -","- C30 H30 Au Cl N2 -","- C120 H120 Au4 Cl4 N8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0237","0.0214","","","0.0493","0.05","","","","","","0.866","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085132","14.766","0.003","12.136","0.002","13.887","0.003","90","","109.762","0.007","90","","2342","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Au Cl N2 -","- C28 H28 Au Cl N2 -","- C112 H112 Au4 Cl4 N8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0846","0.0633","","","0.1496","0.1561","","","","","","1.017","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085133","13.0992","0.0009","19.2568","0.0013","20.4869","0.0015","90","","93.1599","0.0017","90","","5159.9","0.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Au Cl N2 -","- C33 H24 Au Cl N2 -","- C264 H192 Au8 Cl8 N16 -","8","2","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0291","0.0224","","","0.0557","0.0579","","","","","","1.027","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085134","14.096","0.0011","8.0824","0.0007","21.8364","0.0018","90","","90","","90","","2487.8","0.4","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H16 Au F6 N3 O4 S2 -","- C21 H16 Au F6 N3 O4 S2 -","- C84 H64 Au4 F24 N12 O16 S8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0236","0.0218","","","0.0475","0.0477","","","","","","0.907","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085135","20.8574","0.0019","19.1864","0.0014","16.4672","0.0014","90","","90","","90","","6589.8","1","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H30 Au F6 N3 O4 S2 -","- C32 H30 Au F6 N3 O4 S2 -","- C256 H240 Au8 F48 N24 O32 S16 -","8","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0294","0.0264","","","0.0706","0.0721","","","","","","1.056","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085136","11.4382","0.0014","18.5838","0.0019","17.372","0.002","90","","102.797","0.004","90","","3601","0.7","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Au F6 N3 O4 S2 -","- C30 H28 Au F6 N3 O4 S2 -","- C120 H112 Au4 F24 N12 O16 S8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0554","0.0519","","","0.1626","0.1651","","","","","","1.075","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085137","11.2805","0.0008","16.8238","0.0011","19.1402","0.0012","90","","95.498","0.002","90","","3615.7","0.4","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Au F6 N3 O4 S2 -","- C35 H24 Au F6 N3 O4 S2 -","- C140 H96 Au4 F24 N12 O16 S8 -","4","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0577","0.0537","","","0.1693","0.1736","","","","","","1.073","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085138","17.3024","0.0014","23.6193","0.0018","18.0096","0.0015","90","","110.715","0.0018","90","","6884.2","1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H45 Au B Cl3 F24 N4 -","- C71 H45 Au B Cl3 F24 N4 -","- C284 H180 Au4 B4 Cl12 F96 N16 -","4","0.5","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0441","0.0415","","","0.1155","0.1175","","","","","","1.051","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085139","11.9317","0.0006","19.8245","0.0009","18.3093","0.001","90","","105.436","0.0014","90","","4174.7","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C93 H80 Au B F24 N4 -","- C93 H80 Au B F24 N4 -","- C186 H160 Au2 B2 F48 N8 -","2","1","","Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.","Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)","Organometallics","2015","34","1","263","","10.1021/om501093s","","","0.71075","MoKα","","0.0255","0.024","","","0.054","0.0544","","","","","","1.009","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085140","9.8194","0.0003","12.8753","0.0005","15.9909","0.0006","90","","94.829","0.002","90","","2014.52","0.13","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl2 Fe Ge N2 O4 -","- C15 H20 Cl2 Fe Ge N2 O4 -","- C60 H80 Cl8 Fe4 Ge4 N8 O16 -","4","1","","Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David","A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)","Organometallics","2015","34","11","2130","","10.1021/om501286g","","","0.71073","MoKα","","0.042","0.0271","","","0.0583","0.0632","","","","","","1.012","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085141","11.164","0.0004","14.6309","0.0005","21.7358","0.0008","90","","90","","90","","3550.3","0.2","152","2","152","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Fe2 Ge2 N4 O8 -","- C30 H40 Fe2 Ge2 N4 O8 -","- C120 H160 Fe8 Ge8 N16 O32 -","4","1","","Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David","A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)","Organometallics","2015","34","11","2130","","10.1021/om501286g","","","0.71073","MoKα","","0.0297","0.0227","","","0.0475","0.0496","","","","","","0.896","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085142","11.0226","0.0002","17.8671","0.0004","21.7025","0.0004","90","","90","","90","","4274.13","0.15","152","2","152","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 Fe2 Ge2 N4 O8 S -","- C37 H48 Fe2 Ge2 N4 O8 S -","- C148 H192 Fe8 Ge8 N16 O32 S4 -","4","1","","Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David","A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)","Organometallics","2015","34","11","2130","","10.1021/om501286g","","","0.71073","MoKα","","0.064","0.0433","","","0.0866","0.0926","","","","","","1.046","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085143","12.2648","0.0008","9.2929","0.0006","26.5659","0.0017","90","","95.534","0.001","90","","3013.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 B Cl2 F4 I2 Ir N6 -","- C20 H31 B Cl2 F4 I2 Ir N6 -","- C80 H124 B4 Cl8 F16 I8 Ir4 N24 -","4","1","","Aliaga-Lavrijsen, Mélanie; Iglesias, Manuel; Cebollada, Andrea; Garcés, Karin; Garc\?ía, Nestor; Sanz Miguel, Pablo J.; Fernández-Alvarez, Francisco J.; Pérez-Torrente, Jesús J.; Oro, Luis A.","Hydrolysis and Methanolysis of Silanes Catalyzed by Iridium(III) Bis-N-Heterocyclic Carbene Complexes: Influence of the Wingtip Groups","Organometallics","2015","34","11","2378","","10.1021/om5011726","","","0.71073","MoKα","","0.1154","0.0778","","","0.1601","0.1772","","","","","","1.08","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085144","15.841","0.012","12.668","0.009","16.196","0.012","90","","116.078","0.008","90","","2919","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 B F4 I2 Ir N5 O2 -","- C25 H27 B F4 I2 Ir N5 O2 -","- C100 H108 B4 F16 I8 Ir4 N20 O8 -","4","1","","Aliaga-Lavrijsen, Mélanie; Iglesias, Manuel; Cebollada, Andrea; Garcés, Karin; Garc\?ía, Nestor; Sanz Miguel, Pablo J.; Fernández-Alvarez, Francisco J.; Pérez-Torrente, Jesús J.; Oro, Luis A.","Hydrolysis and Methanolysis of Silanes Catalyzed by Iridium(III) Bis-N-Heterocyclic Carbene Complexes: Influence of the Wingtip Groups","Organometallics","2015","34","11","2378","","10.1021/om5011726","","","0.71073","MoKα","","0.0461","0.0352","","","0.0956","0.1055","","","","","","0.998","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085145","9.9323","0.0002","8.46251","0.00017","27.2348","0.0005","90","","96.0494","0.0018","90","","2276.4","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O8 Re -","- C24 H19 O8 Re -","- C96 H76 O32 Re4 -","4","1","","Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne","Organometallics","2015","34","1","167","","10.1021/om501034e","","x-ray","1.5418","CuKα","","0.0227","0.0205","","","0.0493","0.0505","","","","","","1.003","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085146","8.9083","0.0005","10.5379","0.0005","14.6963","0.0006","83.227","0.004","79.64","0.004","88.482","0.004","1347.63","0.12","99.93","0.16","99.93","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N O8 Re -","- C30 H24 N O8 Re -","- C60 H48 N2 O16 Re2 -","2","1","","Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne","Organometallics","2015","34","1","167","","10.1021/om501034e","","x-ray","1.5418","CuKα","","0.0352","0.0299","","","0.0713","0.074","","","","","","1.001","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085147","21.2127","0.0007","8.8364","0.0002","27.3229","0.0009","90","","106.562","0.003","90","","4909","0.3","100","0.2","100","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H23 O8 Re -","- C26 H23 O8 Re -","- C208 H184 O64 Re8 -","8","1","","Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne","Organometallics","2015","34","1","167","","10.1021/om501034e","","x-ray","1.5418","CuKα","","0.0371","0.0314","","","0.0811","0.0844","","","","","","1.002","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085148","7.5891","0.0004","9.1757","0.0005","22.2233","0.001","79.342","0.004","88.07","0.004","76.32","0.004","1477.6","0.13","99.96","0.17","99.96","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 N O8 Re -","- C32 H7 N O8 Re -","- C64 H14 N2 O16 Re2 -","2","1","","Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne","Organometallics","2015","34","1","167","","10.1021/om501034e","","x-ray","1.5418","CuKα","","0.0752","0.0658","","","0.1589","0.1662","","","","","","1.004","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085149","12.4737","0.0005","13.772","0.0008","14.5622","0.0006","75.635","0.004","70.978","0.004","71.884","0.005","2217.6","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C44.5 H68 K N O6 Si -","- C44.5 H68 K N O6 Si -","- C89 H136 K2 N2 O12 Si2 -","2","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0907","0.0569","","","0.1029","0.1152","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085150","10.9468","0.0005","15.2293","0.0007","21.0704","0.0009","90","","90","","90","","3512.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 K N O6 Si -","- C31 H58 K N O6 Si -","- C124 H232 K4 N4 O24 Si4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0567","0.043","","","0.0838","0.0904","","","","","","1.046","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085151","11.1429","0.0005","11.1429","0.0005","47.384","0.004","90","","90","","120","","5095.2","0.5","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H60 N2 Si2 V -","- C34 H60 N2 Si2 V -","- C204 H360 N12 Si12 V6 -","6","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0555","0.0521","","","0.1027","0.1041","","","","","","1.098","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085152","20.253","0.003","9.3776","0.0009","11.5863","0.0018","90","","118.8","0.02","90","","1928.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H68 N2 Si2 V -","- C38 H68 N2 Si2 V -","- C76 H136 N4 Si4 V2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.073","0.0474","","","0.0871","0.0988","","","","","","1.044","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085153","21.1726","0.0004","10.8238","0.0002","17.2399","0.0003","90","","112.341","0.002","90","","3654.28","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N2 Si2 V -","- C36 H64 N2 Si2 V -","- C144 H256 N8 Si8 V4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0253","0.0251","","","0.0646","0.0648","","","","","","1.021","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085154","18.2976","0.0012","8.4153","0.0004","10.3168","0.0006","90","","118.956","0.008","90","","1389.99","0.18","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C36 H42 Cr -","- C36 H42 Cr -","- C72 H84 Cr2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0232","0.0227","","","0.0571","0.0574","","","","","","1.059","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085155","11.1701","0.0003","11.1701","0.0003","47.1697","0.0012","90","","90","","120","","5096.9","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C34 H60 Cr N2 Si2 -","- C34 H60 Cr N2 Si2 -","- C204 H360 Cr6 N12 Si12 -","6","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0404","0.0401","","","0.0858","0.086","","","","","","1.071","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085156","12.8435","0.0004","11.481","0.0004","22.2751","0.0007","90","","93.43","0.003","90","","3278.72","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H56 Cr N2 Si2 -","- C32 H56 Cr N2 Si2 -","- C128 H224 Cr4 N8 Si8 -","4","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0413","0.0376","","","0.0843","0.0861","","","","","","1.035","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085157","13.1104","0.00006","13.1104","0.00006","44.8658","0.0004","90","","90","","90","","7711.65","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C38 H68 Cr N2 Si2 -","- C38 H68 Cr N2 Si2 -","- C304 H544 Cr8 N16 Si16 -","8","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.027","0.0268","","","0.0684","0.0686","","","","","","1.038","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085158","19.0012","0.0012","10.2756","0.0005","10.8293","0.0008","90","","119.646","0.009","90","","1837.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Cr N2 Si2 -","- C36 H64 Cr N2 Si2 -","- C72 H128 Cr2 N4 Si4 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0293","0.0285","","","0.0759","0.0764","","","","","","1.079","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085159","20.3829","0.0006","9.3659","0.0002","11.5616","0.0004","90","","118.629","0.004","90","","1937.31","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H68 N2 Si2 Ti -","- C38 H68 N2 Si2 Ti -","- C76 H136 N4 Si4 Ti2 -","2","0.5","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0259","0.0253","","","0.0675","0.0677","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4085160","9.0279","0.0004","11.6831","0.0006","29.8354","0.0014","90","","90","","90","","3146.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N P Si Zr -","- C32 H48 N P Si Zr -","- C128 H192 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0615","0.0467","","","0.0751","0.0791","","","","","","1.072","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085161","7.92432","0.0001","12.2875","0.0001","27.177","0.0003","90","","90","","90","","2646.23","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N P Si Zr -","- C26 H44 N P Si Zr -","- C104 H176 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0234","0.0229","","","0.0563","0.0567","","","","","","1.036","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085162","9.1586","0.0003","11.4856","0.0004","31.2867","0.001","90","","90","","90","","3291.11","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N P Si Zr -","- C34 H52 N P Si Zr -","- C136 H208 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0457","0.0386","","","0.0778","0.0804","","","","","","1.149","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085163","9.8671","0.0003","12.8873","0.0004","44.7904","0.0013","90","","90","","90","","5695.6","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H48 N P Si Zr -","- C28 H48 N P Si Zr -","- C224 H384 N8 P8 Si8 Zr8 -","8","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0486","0.0451","","","0.0755","0.0764","","","","","","1.265","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085164","8.9906","0.0007","12.1302","0.001","17.7473","0.0014","85.249","0.001","83.891","0.001","87.236","0.001","1916.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H60 La N5 Si4 -","- C28 H60 La N5 Si4 -","- C56 H120 La2 N10 Si8 -","2","1","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.0371","0.031","","","0.0803","0.0842","","","","","","1.028","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085165","8.9954","0.0006","12.0889","0.0008","17.6366","0.0012","85.34","0.001","83.709","0.001","87.192","0.001","1898.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H60 N5 Nd Si4 -","- C28 H60 N5 Nd Si4 -","- C56 H120 N10 Nd2 Si8 -","2","1","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.0413","0.0318","","","0.0752","0.0796","","","","","","1.012","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085166","19.8217","0.0011","11.8179","0.0006","24.1655","0.0013","90","","112.827","0.001","90","","5217.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H82 La N7 Si4 -","- C41 H82 La N7 Si4 -","- C164 H328 La4 N28 Si16 -","4","1","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.069","0.0367","","","0.076","0.0879","","","","","","0.993","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085167","19.8599","0.0014","11.7925","0.0008","24.0745","0.0017","90","","112.941","0.001","90","","5192.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H82 N7 Nd Si4 -","- C41 H82 N7 Nd Si4 -","- C164 H328 N28 Nd4 Si16 -","4","1","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.0483","0.0318","","","0.0716","0.0783","","","","","","1.011","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085168","11.2896","0.0009","16.1701","0.0012","18.035","0.0014","89.826","0.001","88.29","0.001","72.568","0.001","3139.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H96 La2 N8 Si8 -","- C41 H96 La2 N8 Si8 -","- C82 H192 La4 N16 Si16 -","2","1","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.049","0.034","","","0.0844","0.0923","","","","","","1.027","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085169","22.7044","0.0012","22.7044","0.0012","30.044","0.002","90","","90","","120","","13412.5","1.3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H126 La3 N15 Si6 -","- C69 H126 La3 N15 Si6 -","- C414 H756 La18 N90 Si36 -","6","0.333333","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.028","0.0233","","","0.0496","0.0519","","","","","","1.065","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085170","22.56","0.0007","22.56","0.0007","30.006","0.0019","90","","90","","120","","13225.6","1","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H126 N15 Nd3 Si6 -","- C69 H126 N15 Nd3 Si6 -","- C414 H756 N90 Nd18 Si36 -","6","0.333333","","Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong","Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones","Organometallics","2015","34","1","86","","10.1021/om500924q","","","0.71073","MoKα","","0.03","0.0258","","","0.0622","0.064","","","","","","0.994","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085171","12.8279","0.0003","16.7109","0.0004","17.7083","0.0004","101.538","0.002","105.856","0.002","110.987","0.002","3216.41","0.16","150","","150","","","","","","","","Research School of Chemistry","9","P -1","-P 1","2","","","","- C61 H57 B N6 O2 P2 Ru Se W -","- C61 H57 B N6 O2 P2 Ru Se W -","- C122 H114 B2 N12 O4 P4 Ru2 Se2 W2 -","2","1","","Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab; Ward, Jas S.","Selenoxopropadienylidene (CCCSe) as a Bridging Ligand","Organometallics","2015","34","1","361","","10.1021/om5011534","","","0.71073","MoKα","","0.05","0.0339","","0.0686","0.0567","0.0686","","","","","","0.9501","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085172","19.5256","0.0004","11.5909","0.0002","25.619","0.0005","90","","110.124","0.002","90","","5444.1","0.19","150","","150","","","","","","","","Research School of Chemistry","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H57 B N6 O2 P2 Ru W -","- C61 H57 B N6 O2 P2 Ru W -","- C244 H228 B4 N24 O8 P8 Ru4 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab; Ward, Jas S.","Selenoxopropadienylidene (CCCSe) as a Bridging Ligand","Organometallics","2015","34","1","361","","10.1021/om5011534","","","1.54184","CuKα","","0.0806","0.0744","","0.1701","0.1693","0.1701","","","","","","1.0861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085173","10.5083","0.0008","19.1404","0.0015","10.916","0.0009","90","","95.671","0.001","90","","2184.8","0.3","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B F4 N3 O Ru -","- C22 H24 B F4 N3 O Ru -","- C88 H96 B4 F16 N12 O4 Ru4 -","4","1","","Busto, Natalia; Martínez-Alonso, Marta; Leal, José M.; Rodríguez, Ana M.; Domínguez, Fernando; Acuña, M Isabel; Espino, Gustavo; García, Begoña","Monomer‒Dimer Divergent Behavior toward DNA in a Half-Sandwich Ruthenium(II) Aqua Complex. Antiproliferative Biphasic Activity","Organometallics","2015","34","1","319","","10.1021/om5011275","","","0.71073","MoKα","","0.039","0.031","","","0.0691","0.0722","","","","","","1.012","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085174","9.4783","0.0011","32.077","0.004","10.0286","0.0012","90","","94.168","0.002","90","","3041","0.6","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F6 N3 O8 Ru S2 -","- C24 H27 F6 N3 O8 Ru S2 -","- C96 H108 F24 N12 O32 Ru4 S8 -","4","1","","Busto, Natalia; Martínez-Alonso, Marta; Leal, José M.; Rodríguez, Ana M.; Domínguez, Fernando; Acuña, M Isabel; Espino, Gustavo; García, Begoña","Monomer‒Dimer Divergent Behavior toward DNA in a Half-Sandwich Ruthenium(II) Aqua Complex. Antiproliferative Biphasic Activity","Organometallics","2015","34","1","319","","10.1021/om5011275","","","0.71073","MoKα","","0.1059","0.0728","","","0.1951","0.2106","","","","","","1.062","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085175","25.123","0.003","13.2323","0.0013","24.521","0.002","90","","115.889","0.002","90","","7333.6","1.3","140","2","140.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H108 N4 P Sc2 -","- C74 H108 N4 P Sc2 -","- C296 H432 N16 P4 Sc8 -","4","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.0886","0.0643","","","0.1651","0.1785","","","","","","1.095","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085176","12.026","0.005","19.759","0.008","20.811","0.008","90","","91.412","0.007","90","","4944","3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H77 N2 P2 Sc -","- C53 H77 N2 P2 Sc -","- C212 H308 N8 P8 Sc4 -","4","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.2343","0.0893","","","0.2086","0.2984","","","","","","0.941","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085177","14.822","0.003","15.645","0.004","18.949","0.004","113.854","0.004","92.66","0.004","99.346","0.004","3934.7","1.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H117 N4 O4 P Sc2 -","- C87 H117 N4 O4 P Sc2 -","- C174 H234 N8 O8 P2 Sc4 -","2","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.1744","0.0752","","","0.1847","0.2389","","","","","","0.948","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085178","14.3427","0.0019","20.817","0.003","24.445","0.003","90","","90","","90","","7298.6","1.7","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H101 N4 P S2 Sc2 -","- C72 H101 N4 P S2 Sc2 -","- C288 H404 N16 P4 S8 Sc8 -","4","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.1276","0.067","","","0.1227","0.1397","","","","","","0.954","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085179","14.011","0.0011","25.2574","0.0018","21.322","0.0016","90","","94.025","0.002","90","","7526.8","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H114 N5 P Sc2 -","- C85 H114 N5 P Sc2 -","- C340 H456 N20 P4 Sc8 -","4","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.1419","0.0626","","","0.1385","0.1786","","","","","","1.004","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085180","13.267","0.002","15.031","0.002","23.008","0.005","103.167","0.004","97.861","0.004","110.238","0.003","4073.4","1.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H110 N5 P Sc2 -","- C76 H110 N5 P Sc2 -","- C152 H220 N10 P2 Sc4 -","2","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.1248","0.0791","","","0.206","0.2213","","","","","","1.084","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085181","23.532","0.002","15.3966","0.0015","19.1942","0.0018","90","","124.436","0.002","90","","5735.6","0.9","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 N O Sc Si2 -","- C26 H42 N O Sc Si2 -","- C208 H336 N8 O8 Sc8 Si16 -","8","1","","Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei","Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene","Organometallics","2015","34","2","455","","10.1021/om500992v","","","0.71073","MoKα","","0.1133","0.0628","","","0.138","0.1656","","","","","","1.016","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085182","10.0876","0.0006","16.3094","0.001","10.1794","0.0006","90","","114.794","0.001","90","","1520.37","0.16","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27.06 H43.17 O S Sc Si2 -","- C27.058 H43.174 O S Sc Si2 -","- C54.116 H86.348 O2 S2 Sc2 Si4 -","2","1","","Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei","Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene","Organometallics","2015","34","2","455","","10.1021/om500992v","","","0.71073","MoKα","","0.0548","0.0472","","","0.1037","0.1094","","","","","","1.017","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085183","10.1664","0.0007","10.9045","0.0008","24.7776","0.0018","90","","90","","90","","2746.8","0.3","185","2","185","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 O S Sc Si2 -","- C23 H43 O S Sc Si2 -","- C92 H172 O4 S4 Sc4 Si8 -","4","1","","Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei","Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene","Organometallics","2015","34","2","455","","10.1021/om500992v","","","0.71073","MoKα","","0.0823","0.0748","","","0.193","0.2002","","","","","","1.052","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085184","10.9738","0.0007","15.019","0.0008","13.2126","0.0007","90","","99.983","0.005","90","","2144.7","0.2","150.06","0.12","150.06","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Li N3 Si -","- C18 H38 Li N3 Si -","- C72 H152 Li4 N12 Si4 -","4","1","","Day, Benjamin M.; McDouall, Joseph J. W.; Clayden, Jonathan; Layfield, Richard A.","Directed Lithiation of Pentadienylsilanes","Organometallics","2015","34","11","2348","","10.1021/om501144f","","","0.7107","MoKα","","0.067","0.0489","","","0.1036","0.1133","","","","","","1.075","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085185","7.6101","0.0003","8.4731","0.0004","14.0204","0.0007","85.418","0.004","78.953","0.004","80.657","0.004","874.42","0.07","150.03","0.1","150.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Li N O2 Si -","- C14 H28 Li N O2 Si -","- C28 H56 Li2 N2 O4 Si2 -","2","1","","Day, Benjamin M.; McDouall, Joseph J. W.; Clayden, Jonathan; Layfield, Richard A.","Directed Lithiation of Pentadienylsilanes","Organometallics","2015","34","11","2348","","10.1021/om501144f","","","0.71073","MoKα","","0.0773","0.0565","","","0.1358","0.1487","","","","","","1.02","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085186","18.094","0.004","10.722","0.002","27.958","0.006","90","","100.84","0.03","90","","5327","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 Cl2 F4 N2 Ni -","- C54 H40 Cl2 F4 N2 Ni -","- C216 H160 Cl8 F16 N8 Ni4 -","4","1","","Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua","Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives","Organometallics","2015","34","3","582","","10.1021/om500943u","","","0.71073","MoKα","","","0.0678","","","0.1758","0.1854","","","","","","1.035","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085187","13.039","0.003","18.46","0.004","21.236","0.004","90","","93.02","0.03","90","","5104.4","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H88 Cl4 F8 N4 Ni2 -","- C112 H88 Cl4 F8 N4 Ni2 -","- C224 H176 Cl8 F16 N8 Ni4 -","2","0.5","","Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua","Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives","Organometallics","2015","34","3","582","","10.1021/om500943u","","","0.71073","MoKα","","","0.0768","","","0.2022","0.2148","","","","","","1.096","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085188","12.28308","0.00012","20.7454","0.0002","18.0165","0.0002","90","","106.412","0.0011","90","","4403.87","0.08","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 N O5 P2 Ru S2 -","- C48 H51 N O5 P2 Ru S2 -","- C192 H204 N4 O20 P8 Ru4 S8 -","4","1","","Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands","Organometallics","2015","34","2","494","","10.1021/om5011269","","","1.54184","CuKα","","0.0338","0.0298","","","0.0754","0.0775","","","","","","1.061","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085189","21.8965","0.0005","17.9869","0.0005","31.6196","0.001","90","","98.962","0.003","90","","12301.4","0.6","173","","173","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C67.5 H64 Cl3 N O5 P2 Ru S2 -","- C67.5 H64 Cl3 N O5 P2 Ru S2 -","- C540 H512 Cl24 N8 O40 P16 Ru8 S16 -","8","1","","Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands","Organometallics","2015","34","2","494","","10.1021/om5011269","","","1.54184","CuKα","","0.0506","0.0405","","","0.1054","0.1131","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085190","13.03464","0.00008","19.81564","0.0001","21.39853","0.00012","90","","101.643","0.0006","90","","5413.3","0.05","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H61 N O5 P2 Ru S2 -","- C64 H61 N O5 P2 Ru S2 -","- C256 H244 N4 O20 P8 Ru4 S8 -","4","1","","Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands","Organometallics","2015","34","2","494","","10.1021/om5011269","","","1.54184","CuKα","","0.0265","0.0237","","","0.0608","0.0631","","","","","","1.043","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085191","11.8798","0.0012","12.6092","0.0013","20.683","0.002","81.937","0.002","84.343","0.001","77.912","0.002","2991.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 B10 Co O4 S2 -","- C23 H33 B10 Co O4 S2 -","- C92 H132 B40 Co4 O16 S8 -","4","2","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0739","0.0453","","","0.1015","0.1099","","","","","","0.861","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085192","10.889","0.004","11.574","0.004","12.328","0.004","67.217","0.004","89.341","0.004","77.439","0.004","1393.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 B10 Co O6 S2 -","- C19 H31 B10 Co O6 S2 -","- C38 H62 B20 Co2 O12 S4 -","2","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0474","0.0378","","","0.0953","0.0989","","","","","","0.949","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085193","19.855","0.004","11.248","0.002","13.8","0.003","90","","101.991","0.002","90","","3014.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 B10 Co O8 S2 -","- C21 H33 B10 Co O8 S2 -","- C84 H132 B40 Co4 O32 S8 -","4","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0543","0.0488","","","0.1343","0.1382","","","","","","1.116","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4085194","25.429","0.002","11.5719","0.001","21.845","0.002","90","","113.61","0.001","90","","5890.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 B10 Co O4 S2 -","- C23 H33 B10 Co O4 S2 -","- C184 H264 B80 Co8 O32 S16 -","8","2","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0802","0.0598","","","0.1371","0.1428","","","","","","1.07","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085195","11.4552","0.0016","20.011","0.003","13.0921","0.0018","90","","108.64","0.002","90","","2843.7","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 B10 Co O6 S2 -","- C19 H31 B10 Co O6 S2 -","- C76 H124 B40 Co4 O24 S8 -","4","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.07","0.0436","","","0.0936","0.102","","","","","","0.876","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085196","11.5996","0.0015","10.1335","0.0013","26.01","0.003","90","","98.357","0.002","90","","3024.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 B10 Co O8 S2 -","- C21 H33 B10 Co O8 S2 -","- C84 H132 B40 Co4 O32 S8 -","4","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0456","0.0337","","","0.0888","0.0929","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085197","11.311","0.002","21.679","0.004","13.649","0.003","90","","92.762","0.003","90","","3343","1.1","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B10 Co Fe O4 S2 -","- C27 H35 B10 Co Fe O4 S2 -","- C108 H140 B40 Co4 Fe4 O16 S8 -","4","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.119","0.0552","","","0.1302","0.1462","","","","","","0.848","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085198","8.7368","0.0013","11.8233","0.0018","15.077","0.002","86.119","0.003","85.913","0.003","72.583","0.003","1480.5","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 B10 Co O4 S2 -","- C23 H33 B10 Co O4 S2 -","- C46 H66 B20 Co2 O8 S4 -","2","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0817","0.0536","","","0.1069","0.1115","","","","","","0.986","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085199","43.96","0.02","13.802","0.008","10.668","0.006","90","","90","","90","","6473","6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H37 B10 Co Fe O4 S2 -","- C27 H37 B10 Co Fe O4 S2 -","- C216 H296 B80 Co8 Fe8 O32 S16 -","8","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0592","0.0401","","","0.0832","0.0865","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085200","17.859","0.007","10.227","0.004","17.341","0.007","90","","115.327","0.006","90","","2863","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B9 Co O4 S2 -","- C23 H34 B9 Co O4 S2 -","- C92 H136 B36 Co4 O16 S8 -","4","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0856","0.0534","","","0.108","0.1152","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085201","9.8682","0.0015","34.802","0.005","18.025","0.003","90","","102.551","0.003","90","","6042.4","1.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B9 Co O8 S2 -","- C21 H34 B9 Co O8 S2 -","- C168 H272 B72 Co8 O64 S16 -","8","2","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0896","0.0473","","","0.1041","0.117","","","","","","1.031","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085202","19.2462","0.0017","8.9294","0.0008","23.63","0.002","90","","96.786","0.005","90","","4032.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 Cl3 N4 Ni -","- C45 H45 Cl3 N4 Ni -","- C180 H180 Cl12 N16 Ni4 -","4","1","","Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.","Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride","Organometallics","2015","34","2","399","","10.1021/om5007177","","","0.71073","MoKα","","0.0513","0.037","","","0.0896","0.0981","","","","","","1.03","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085203","8.6588","0.0007","15.3314","0.0014","16.5973","0.0015","103.115","0.004","98.614","0.004","103.025","0.004","2043.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.17 H53.01 Cl0.33 N4 Ni -","- C50.675 H53.025 Cl0.325 N4 Ni -","- C101.35 H106.05 Cl0.65 N8 Ni2 -","2","1","","Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.","Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride","Organometallics","2015","34","2","399","","10.1021/om5007177","","","0.71073","MoKα","","0.0446","0.0332","","","0.0675","0.0714","","","","","","1.057","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085204","15.159","0.0017","18.643","0.002","18.882","0.002","106.393","0.006","110.407","0.006","93.967","0.007","4713.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H66 N4 Ni O Si -","- C48 H56 N4 Ni Si -","- C192 H224 N16 Ni4 Si4 -","4","2","","Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.","Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride","Organometallics","2015","34","2","399","","10.1021/om5007177","","","0.71073","MoKα","","0.1088","0.061","","","0.1291","0.1467","","","","","","0.992","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085205","21.7945","0.0018","21.7945","0.0018","41.104","0.004","90","","90","","120","","16909","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H61 N4 Ni O -","- C44 H46 N4 Ni -","- C792 H828 N72 Ni18 -","18","1","","Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.","Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride","Organometallics","2015","34","2","399","","10.1021/om5007177","","","0.71073","MoKα","","0.117","0.0643","","","0.1231","0.1398","","","","","","1.07","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085206","11.381","0.003","13.659","0.004","16.278","0.004","75.307","0.007","89.8","0.005","65.47","0.004","2211.8","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1 in manuscript","","","- C19 H38 N2 P2 -","- C19 H38 N2 P2 -","- C76 H152 N8 P8 -","4","2","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0922","0.0558","","","0.1231","0.14","","","","","","1.027","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085207","8.772","0.0009","21.253","0.002","13.4777","0.0013","90","","90.923","0.003","90","","2512.3","0.4","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","2 in manuscript","","","- C20 H41 B F4 N2 P2 -","- C20 H41 B F4 N2 P2 -","- C80 H164 B4 F16 N8 P8 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0767","0.0559","","","0.118","0.1306","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085208","9.4684","0.0013","10.8025","0.0015","14.237","0.0019","100.964","0.002","93.499","0.002","114.638","0.002","1283.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3 in manuscript","","","- C23 H40 N4 Ni P2 -","- C23 H40 N4 Ni P2 -","- C46 H80 N8 Ni2 P4 -","2","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.1008","0.0589","","","0.1228","0.1389","","","","","","1.031","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085209","10.06","0.002","26.731","0.006","10.355","0.002","90","","99.803","0.004","90","","2743.9","1","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","4 in manuscript","","","- C21 H38 B F4 N2 O2 P2 Rh -","- C21 H38 B F4 N2 O2 P2 Rh -","- C84 H152 B4 F16 N8 O8 P8 Rh4 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0629","0.0379","","","0.0775","0.0874","","","","","","1.025","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085210","18.7336","0.0014","18.7336","0.0014","20.9111","0.0016","90","","90","","90","","7338.7","1","200","2","200","2","","","","","","","","9","I 41 c d","I 4bw -2c","110","5b in manuscript","","","- C23 H43 B2 Cl4 F8 N2 O2 P2 Rh -","- C23 H43 B2 Cl4 F8 N2 O2 P2 Rh -","- C184 H344 B16 Cl32 F64 N16 O16 P16 Rh8 -","8","0.5","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0691","0.0448","","","0.0829","0.0931","","","","","","1.03","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085211","8.0538","0.0014","14.223","0.002","21.114","0.004","90","","94.938","0.005","90","","2409.6","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Z-6 in manuscript","","","- C20 H41 Cl N2 P2 Pd -","- C19.806 H40.418 Cl1.194 N2 P2 Pd -","- C79.224 H161.672 Cl4.776 N8 P8 Pd4 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0637","0.0424","","","0.0712","0.0795","","","","","","1.084","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085212","14.6888","0.001","12.6183","0.0008","15.3563","0.0012","90","","118.521","0.0017","90","","2500.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6b in manuscript","","","- C20 H41 Cl N2 P2 Pd -","- C20 H41 Cl N2 P2 Pd -","- C80 H164 Cl4 N8 P8 Pd4 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.069","0.0549","","","0.1415","0.1527","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085213","28.054","0.018","11.161","0.007","35.47","0.02","90","","102.007","0.019","90","","10863","12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","7 in manuscript","","","- C40 H78 Cl8 N4 P4 Rh2 -","- C40 H78 Cl8 N4 P4 Rh2 -","- C320 H624 Cl64 N32 P32 Rh16 -","8","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.2376","0.1626","","","0.3468","0.385","","","","","","1.095","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085214","11.7845","0.0008","16.1974","0.0011","16.3616","0.0011","104.388","0.001","109.857","0.0009","110.288","0.0009","2506.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Z-9 in manuscript","","","- C21 H43 Cl N2 P2 Pd -","- C21 H43 Cl N2 P2 Pd -","- C84 H172 Cl4 N8 P8 Pd4 -","4","2","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0684","0.0441","","","0.0879","0.1018","","","","","","1.029","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085215","8.8341","0.0018","21.44","0.004","15.5","0.003","90","","92.43","0.004","90","","2933.1","1","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","10 in manuscript","","","- C26 H46 B F4 N2 P2 Rh -","- C26 H46 B F4 N2 P2 Rh -","- C104 H184 B4 F16 N8 P8 Rh4 -","4","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0618","0.0478","","","0.0904","0.0977","","","","","","1.026","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085216","10.3228","0.0007","17.8177","0.0012","19.0426","0.0013","73.531","0.0011","83.6745","0.0011","80.2522","0.0011","3303.1","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","11 in manuscript","","","- C59 H61 B2 Cl2 F28 N2 P2 Rh -","- C59 H61 B2 Cl2 F28 N2 P2 Rh -","- C118 H122 B4 Cl4 F56 N4 P4 Rh2 -","2","1","","Brill, Marcel; Rominger, Frank; Hofmann, Peter","1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals","Organometallics","2015","34","2","506","","10.1021/om501145b","","","0.71073","MoKα","","0.0623","0.0459","","","0.1054","0.1155","","","","","","1.023","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085217","11.73269","0.00013","10.32253","0.00012","23.959","0.0002","90","","93.5666","0.0009","90","","2896.08","0.05","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 Ir N5 -","- C31 H32 Cl2 Ir N5 -","- C124 H128 Cl8 Ir4 N20 -","4","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0347","0.0301","","","0.0557","0.0571","","","","","","1.167","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085218","31.586","0.013","9.821","0.004","8.973","0.004","90","","90","","90","","2783","2","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H31 I Ir N5 -","- C30 H31 I Ir N5 -","- C120 H124 I4 Ir4 N20 -","4","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0419","0.0376","","","0.0799","0.0855","","","","","","1.18","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085219","12.1901","0.0005","13.7161","0.0004","17.3715","0.0008","78.011","0.003","84.049","0.004","79.146","0.003","2784.03","0.19","110","1","110","1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H46 D15 F6 Ir N5 P2 -","- C63 H46 D15 F6 Ir N5 P2 -","- C126 H92 D30 F12 Ir2 N10 P4 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0621","0.0489","","","0.0999","0.1054","","","","","","1.07","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085220","8.942","0.004","27.03","0.014","23.843","0.012","90","","100.287","0.01","90","","5670","5","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32 Cl Ir N8 -","- C30.5 H32 Cl Ir N8 -","- C244 H256 Cl8 Ir8 N64 -","8","2","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0485","0.03","","","0.0596","0.0689","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085221","8.77689","0.00015","13.04053","0.00019","23.0986","0.0004","90","","100.181","0.0016","90","","2602.13","0.07","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Ir N6 -","- C30 H31 Ir N6 -","- C120 H124 Ir4 N24 -","4","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.065","0.0664","","","","","","1.202","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085222","11.495","0.006","14.598","0.007","16.261","0.007","115.061","0.007","96.52","0.005","99.041","0.012","2391","2","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H49 B Cl4 F2 Ir N5 -","- C54 H49 B Cl4 F2 Ir N5 -","- C108 H98 B2 Cl8 F4 Ir2 N10 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0367","0.0291","","","0.0712","0.0801","","","","","","1.113","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085223","12.31","0.006","13.686","0.006","18.02","0.009","90","","109.18","0.005","90","","2867","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 F2 Ir N8 -","- C29 H27 Cl2 F2 Ir N8 -","- C116 H108 Cl8 F8 Ir4 N32 -","4","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0218","0.0181","","","0.0444","0.0461","","","","","","1.081","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085224","10.97","0.005","18.868","0.008","25.563","0.011","90","","90.915","0.01","90","","5290","4","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 B Cl2 N5 Os -","- C61 H64 B Cl2 N5 Os -","- C244 H256 B4 Cl8 N20 Os4 -","4","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0375","0.0274","","","0.0604","0.0674","","","","","","1.129","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085225","8.4226","0.00003","23.97936","0.00006","26.69906","0.00007","90","","90","","90","","5392.37","0.03","110","1","110","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Cl Ir N5 -","- C30 H31 Cl Ir N5 -","- C240 H248 Cl8 Ir8 N40 -","8","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","1.5418","CuKα","","0.0181","0.0178","","","0.0441","0.0442","","","","","","1.126","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085226","8.38257","0.00011","9.26625","0.00012","23.0041","0.0003","80.6647","0.001","80.9008","0.001","79.3838","0.0011","1717.78","0.04","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Cl3 Ir N5 -","- C37 H41 Cl3 Ir N5 -","- C74 H82 Cl6 Ir2 N10 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.7107","MoKα","","0.0289","0.0248","","","0.0487","0.0503","","","","","","1.051","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085227","21.13","0.009","13.37","0.005","21.589","0.009","90","","110.524","0.007","90","","5712","4","100","2","100","1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C29 H27 Cl3 F2 Ir N5 -","- C29 H27 Cl3 F2 Ir N5 -","- C232 H216 Cl24 F16 Ir8 N40 -","8","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0395","0.0254","","","0.0519","0.0573","","","","","","1.05","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085228","13.012","0.007","13.625","0.007","13.81","0.006","88.222","0.012","74.285","0.01","89.653","0.008","2356","2","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63 Cl Ir N5 O4 -","- C50 H63 Cl Ir N5 O4 -","- C100 H126 Cl2 Ir2 N10 O8 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0742","0.0839","","","","","","1.069","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085229","10.769","0.005","12.692","0.005","15.351","0.006","66.081","0.007","89.052","0.012","83.481","0.011","1904.6","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H45 Cl D6 Ir N5 O -","- C42 H45 Cl D6 Ir N5 O -","- C84 H90 Cl2 D12 Ir2 N10 O2 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0281","0.0229","","","0.0494","0.056","","","","","","1.112","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085230","8.95","0.003","15.477","0.006","16.608","0.006","74.956","0.012","77.965","0.011","77.858","0.01","2142.9","1.4","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C46 H43 D9 F3 Ir N5 O3 S -","- C46 H43 D9 F3 Ir N5 O3 S -","- C92 H86 D18 F6 Ir2 N10 O6 S2 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0257","0.0215","","","0.0514","0.058","","","","","","1.121","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085231","12.856","0.005","15.116","0.006","17.523","0.008","105.595","0.007","104.01","0.012","101.462","0.012","3053","2","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H70 B Cl7 Ir N5 -","- C63.5 H70 B Cl7 Ir N5 -","- C127 H140 B2 Cl14 Ir2 N10 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.0314","0.0272","","","0.0714","0.0779","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085232","11.9752","0.0004","13.473","0.0007","16.3477","0.0005","70.497","0.004","82.773","0.003","68.559","0.004","2314.15","0.18","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H56 B Ir N6 -","- C57 H56 B Ir N6 -","- C114 H112 B2 Ir2 N12 -","2","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","0.71073","MoKα","","0.036","0.0317","","","0.0593","0.061","","","","","","1.069","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085233","22.925","0.0006","8.3999","0.0002","15.1279","0.0004","90","","91.139","0.001","90","","2912.57","0.13","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 Cl Ge N2 -","- C11 H23 Cl Ge N2 -","- C88 H184 Cl8 Ge8 N16 -","8","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0542","0.034","","","0.074","0.0849","","","","","","1.09","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085234","11.4952","0.0003","13.611","0.0004","26.4708","0.0007","90","","90","","90","","4141.7","0.2","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Cl Fe Ge N2 O4 -","- C15 H23 Cl Fe Ge N2 O4 -","- C120 H184 Cl8 Fe8 Ge8 N16 O32 -","8","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0577","0.0322","","","0.0839","0.0935","","","","","","1.06","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085235","12.3045","0.0015","13.5768","0.0015","13.7763","0.0015","90","","90","","90","","2301.4","0.5","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl Fe Ge N2 O4 -","- C19 H23 Cl Fe Ge N2 O4 -","- C76 H92 Cl4 Fe4 Ge4 N8 O16 -","4","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0409","0.0285","","","0.0603","0.0643","","","","","","1.025","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085236","23.6993","0.0013","10.2634","0.0006","19.5151","0.001","90","","114.73","0.003","90","","4311.4","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Fe2 Ge2 N4 O9 -","- C38 H46 Fe2 Ge2 N4 O9 -","- C152 H184 Fe8 Ge8 N16 O36 -","4","0.5","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","","0.71073","MoKα","","0.0477","0.0312","","","0.0665","0.0733","","","","","","1.015","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085237","9.8524","0.0002","12.9959","0.0003","16.0149","0.0003","90","","94.719","0.001","90","","2043.61","0.07","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl2 Fe Ge N2 O4 -","- C15 H20 Cl2 Fe Ge N2 O4 -","- C60 H80 Cl8 Fe4 Ge4 N8 O16 -","4","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.043","0.0286","","","0.0588","0.0641","","","","","","1.011","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085238","33.936","0.005","39.39","0.006","10.4595","0.0014","90","","90","","90","","13982","4","193","2","193","2","","","","","","","synthesis as described","7","F d d 2","F 2 -2d","43","","","","- C31 H36 Cl2 Fe Ge N2 O4 -","- C31 H36 Cl2 Fe Ge N2 O4 -","- C496 H576 Cl32 Fe16 Ge16 N32 O64 -","16","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.1038","0.0414","","","0.0898","0.119","","","","","","0.598","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085239","15.019","0.003","10.127","0.002","10.592","0.002","90","","90","","90","","1611","0.5","290","2","290","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C6 H26 B22 Cs2 Hg I2 N2 -","- C6 H26 B22 Cs2 Hg I2 N2 -","- C12 H52 B44 Cs4 Hg2 I4 N4 -","2","0.25","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.037","0.0301","","","0.0933","0.0966","","","","","","1.006","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085240","25.36","0.004","25.36","0.004","11.528","0.002","90","","90","","120","","6420.7","1.8","123","2","123","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C6 H60 B66 Cs5.96 Hg3 I6 -","- C6 H60 B66 Cs5.96 Hg3 I6 -","- C12 H120 B132 Cs11.92 Hg6 I12 -","2","0.166667","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0536","0.0431","","","0.1125","0.1154","","","","","","1.04","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085241","18.2713","0.0007","18.7533","0.0009","16.8241","0.0008","90","","90","","90","","5764.7","0.4","290","2","290","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C22 H62 B22 Hg N2 -","- C22 H62 B22 Hg N2 -","- C88 H248 B88 Hg4 N8 -","4","0.5","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0622","0.0443","","","0.1437","0.149","","","","","","1.17","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085242","34.91","0.003","11.8488","0.0012","13.3316","0.0013","90","","90","","90","","5514.5","0.9","166","2","166","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H78 B22 Fe2 Hg N2 -","- C42 H79 B22 Fe2 Hg N2 -","- C168 H316 B88 Fe8 Hg4 N8 -","4","0.5","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0922","0.0692","","","0.119","0.1278","","","","","","1.093","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085243","12.3694","0.0011","19.5146","0.001","13.2445","0.0011","90","","117.52","0.011","90","","2835.3","0.5","100.3","0.5","100.3","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H96 Li6 N6 Si6 -","- C36 H96 Li6 N6 Si6 -","- C72 H192 Li12 N12 Si12 -","2","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0649","0.0479","","","0.1172","0.1308","","","","","","1.03","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085244","8.4756","0.0009","9.3105","0.0013","11.1845","0.0014","101.206","0.011","105.344","0.01","91.823","0.01","831.67","0.19","150.05","0.13","150.05","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C26 H60 Li2 N2 O2 Si2 -","- C26 H60 Li2 N2 O2 Si2 -","- C26 H60 Li2 N2 O2 Si2 -","1","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0806","0.0593","","","0.1178","0.1379","","","","","","1.065","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085245","9.1887","0.0008","11.1315","0.001","11.3719","0.0009","73.069","0.007","68.473","0.008","78.927","0.007","1030.37","0.17","150.05","0.13","150.05","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C32 H64 K2 N2 Si4 -","- C32 H64 K2 N2 Si4 -","- C32 H64 K2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0812","0.0537","","","0.0917","0.1095","","","","","","1.088","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085246","10.3328","0.0018","11.995","0.002","15.134","0.003","89.235","0.014","89.606","0.014","69.549","0.016","1757.4","0.6","150.01","0.13","150.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C24 H60 K2 N2 Si4 -","- C24 H60 K2 N2 Si4 -","- C48 H120 K4 N4 Si8 -","2","1","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","x-ray","0.71073","MoKα","","0.2429","0.1135","","","0.2235","0.2831","","","","","","1.025","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085247","9.6065","0.0006","10.3964","0.0009","11.824","0.001","65.835","0.008","78.506","0.006","66.789","0.007","989.2","0.16","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","bis(tertbutyldimethylsilyl)amidopotassium","","- C31 H68 K2 N2 Si4 -","- C31 H68 K2 N2 Si4 -","- C31 H68 K2 N2 Si4 -","1","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0633","0.0454","","","0.0946","0.1083","","","","","","1.063","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085248","11.8947","0.0012","12.0009","0.0014","15.3957","0.0016","90","","109.225","0.011","90","","2075.1","0.4","139","15","139","15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 K N Si2 -","- C15 H36 K N Si2 -","- C60 H144 K4 N4 Si8 -","4","1","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.1598","0.0847","","","0.1097","0.146","","","","","","1.072","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085249","15.4","0.002","9.7973","0.0011","7.6315","0.0011","90","","90","","90","","1151.4","0.3","150.02","0.11","150.02","0.11","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H42 K N Si2 -","- C18 H42 K N Si2 -","- C36 H84 K2 N2 Si4 -","2","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0917","0.0688","","","0.1762","0.1951","","","","","","1.057","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085250","8.9958","0.0005","22.5304","0.0015","17.8861","0.0011","90","","95.585","0.005","90","","3607.9","0.4","150.02","0.11","150.02","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H66 K N O3 Si2 -","- C30 H66 K N O3 Si2 -","- C120 H264 K4 N4 O12 Si8 -","4","1","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.1787","0.0753","","","0.155","0.2056","","","","","","0.977","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085251","9.1458","0.0006","14.996","0.0009","22.8837","0.0015","94.293","0.005","96.373","0.005","99.075","0.005","3066.4","0.3","150.01","0.16","150.01","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C36 H96 I2 La2 N4 Si8 -","- C36 H96 I2 La2 N4 Si8 -","- C72 H192 I4 La4 N8 Si16 -","2","1","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","x-ray","0.71073","MoKα","","0.1308","0.0591","","","0.1005","0.1343","","","","","","0.839","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085252","20.3541","0.0007","20.3541","0.0007","16.7604","0.0007","90","","90","","120","","6013.4","0.4","149.99","0.1","149.99","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H72 La N3 Si6 -","- C27 H72 La N3 Si6 -","- C162 H432 La6 N18 Si36 -","6","0.333333","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0328","0.0273","","","0.0538","0.0568","","","","","","1.041","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4085253","20.271","0.002","20.271","0.002","16.723","0.002","90","","90","","120","","5951.1","1.1","150.01","0.12","150.01","0.12","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H72 Ce N3 Si6 -","- C27 H72 Ce N3 Si6 -","- C162 H432 Ce6 N18 Si36 -","6","0.333333","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.0734","0.0389","","","0.071","0.0821","","","","","","1.027","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4085254","21.8384","0.0009","13.2402","0.0005","17.854","0.0008","90","","110.967","0.005","90","","4820.6","0.4","150","2","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(bis(tertbutyldimethylsilyl))amido lanthanum","","- C36 H90 La N3 Si6 -","- C36 H90 La N3 Si6 -","- C144 H360 La4 N12 Si24 -","4","0.5","","Goodwin, Conrad A. P.; Joslin, Kristian C.; Lockyer, Selena J.; Formanuik, Alasdair; Morris, Gareth A.; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo. J.; Mills, David P.","Homoleptic Trigonal Planar Lanthanide Complexes Stabilized by Superbulky Silylamide Ligands","Organometallics","2015","34","11","2314","","10.1021/om501123e","","","0.71073","MoKα","","0.053","0.0395","","","0.0844","0.0915","","","","","","1.054","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085255","19.598","0.006","12.678","0.004","21.866","0.007","90","","103.637","0.004","90","","5280","3","93","","93","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C56 H78 Ag B F4 N4 O0.5 -","- C56 H78 Ag B F4 N4 O0.5 -","- C224 H312 Ag4 B4 F16 N16 O2 -","4","2","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0509","","","","0.1144","","","","","","1.049","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085256","57.018","0.006","16.2771","0.0014","16.6851","0.0017","90","","97.853","0.003","90","","15340","3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H68 Ag B F4 N4 O -","- C52 H68 Ag B F4 N4 O -","- C624 H816 Ag12 B12 F48 N48 O12 -","12","1.5","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0506","","","","0.1465","","","","","","1.003","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085257","16.854","0.004","16.247","0.003","21.373","0.004","90","","104.58","0.005","90","","5664","2","93","","93","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H70 Ag B F4 N4 O -","- C52 H70 Ag B F4 N4 O -","- C208 H280 Ag4 B4 F16 N16 O4 -","4","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0688","","","","0.2416","","","","","","1.116","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085258","20.468","0.005","16.201","0.003","13.14","0.003","90","","90","","90","","4357.3","1.7","93","","93","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H60 Ag B F4 N4 -","- C42 H60 Ag B F4 N4 -","- C168 H240 Ag4 B4 F16 N16 -","4","0.25","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0416","","","","0.1182","","","","","","0.744","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085259","23.6","0.005","14.545","0.003","22.874","0.004","90","","90","","90","","7852","3","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 Ag B F4 N4 -","- C38 H56 Ag B F4 N4 -","- C304 H448 Ag8 B8 F32 N32 -","8","2","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0839","","","","0.2293","","","","","","1.057","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085260","17.0015","0.0011","20.0677","0.0008","23.3459","0.0017","72.428","0.006","84.524","0.008","65.788","0.006","6921.8","0.8","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Ag B F4 N4 -","- C48 H62 Ag B F4 N4 -","- C288 H372 Ag6 B6 F24 N24 -","6","3","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.1064","","","","0.3037","","","","","","1.156","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085261","10.9809","0.0014","19.3897","0.0018","22.453","0.005","113.875","0.011","92.39","0.03","103.81","0.018","4193.4","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C41.25 H57 B Cu F4 N4 -","- C41.25 H54 B Cu F4 N4 -","- C165 H216 B4 Cu4 F16 N16 -","4","2","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0817","","","","0.2836","","","","","","0.901","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085262","15.998","0.003","31.709","0.005","15.903","0.002","90","","90","","90","","8067","2","93","","93","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 Au B F4 N4 -","- C42 H48 Au B F4 N4 -","- C336 H384 Au8 B8 F32 N32 -","8","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0407","","","","0.0696","","","","","","1.003","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085263","20.549","0.005","15.982","0.004","13.157","0.003","90","","90","","90","","4320.9","1.8","173","","173","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C42 H62 Au B F4 N4 -","- C42 H62 Au B F4 N4 -","- C168 H248 Au4 B4 F16 N16 -","4","0.25","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0231","","","","0.0504","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085264","11.9231","0.0012","23.13","0.003","28.416","0.003","90","","90","","90","","7836.6","1.5","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Au B F4 N4 -","- C38 H58 Au B F4 N4 -","- C304 H464 Au8 B8 F32 N32 -","8","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0276","","","","0.0546","","","","","","1.058","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085265","13.9259","0.0009","18.1348","0.0011","23.0194","0.0013","90","","106.42","0.006","90","","5576.3","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H63 Co N Si -","- C72 H63 Co N Si -","- C288 H252 Co4 N4 Si4 -","4","1","","Hicks, Jamie; Jones, Cameron","Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand","Organometallics","2015","34","11","2118","","10.1021/om501233f","","","0.71073","MoKα","","0.0733","0.0474","","","0.1071","0.1205","","","","","","1.01","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085266","14.93","0.003","17.23","0.003","18.81","0.004","104.15","0.03","96.94","0.03","100.74","0.03","4538.9","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112.5 H92.75 Co2 F1.75 N2 Si2 -","- C112.5 H92.75 Co2 F1.75 N2 Si2 -","- C225 H185.5 Co4 F3.5 N4 Si4 -","2","1","","Hicks, Jamie; Jones, Cameron","Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand","Organometallics","2015","34","11","2118","","10.1021/om501233f","","","0.7109","Synchrotron","","0.084","0.0627","","","0.1695","0.1858","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085267","12.495","0.003","19.107","0.004","24.377","0.005","105.22","0.03","89.89","0.03","104.4","0.03","5427","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H69.5 Co N3 O0.75 Si -","- C65 H69.5 Co N3 O0.75 Si -","- C260 H278 Co4 N12 O3 Si4 -","4","2","","Hicks, Jamie; Jones, Cameron","Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand","Organometallics","2015","34","11","2118","","10.1021/om501233f","","","0.7109","Synchrotron","","0.0725","0.0583","","","0.146","0.1553","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085268","22.05","0.004","10.082","0.002","25.07","0.005","90","","96.23","0.03","90","","5540.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 Co N3 Si -","- C67 H74 Co N3 Si -","- C268 H296 Co4 N12 Si4 -","4","1","","Hicks, Jamie; Jones, Cameron","Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand","Organometallics","2015","34","11","2118","","10.1021/om501233f","","","0.7109","Synchrotron","","0.0885","0.0718","","","0.1935","0.2058","","","","","","1.032","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085269","10.501","0.002","18.201","0.004","21.76","0.004","96.68","0.03","99.75","0.03","93.7","0.03","4056","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94.5 H114 Co N7 Si -","- C94.5 H114 Co N7 Si -","- C189 H228 Co2 N14 Si2 -","2","1","","Hicks, Jamie; Jones, Cameron","Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand","Organometallics","2015","34","11","2118","","10.1021/om501233f","","","0.7109","Synchrotron","","0.0755","0.0639","","","0.162","0.1708","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085270","8.0093","0.0002","44.3383","0.0013","9.9524","0.0003","90","","103.757","0.001","90","","3432.9","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H38 Cl2 F6 N2 O2 Ru -","- C34 H38 Cl2 F6 N2 O2 Ru -","- C136 H152 Cl8 F24 N8 O8 Ru4 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0721","0.0574","","","0.1423","0.1518","","","","","","1.028","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085271","9.1887","0.0006","42.551","0.003","17.8992","0.0011","90","","89.959","0.003","90","","6998.4","0.8","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C272 H304 Cl16 F48 N16 O16 Ru8 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0667","0.052","","","0.1022","0.1086","","","","","","1.017","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085272","8.648","0.0007","20.444","0.002","13.657","0.0005","90","","120.896","0.005","90","","2071.9","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl2 N2 Sb -","- C16 H23 Cl2 N2 Sb -","- C64 H92 Cl8 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0378","0.0312","","","0.0641","0.0676","","","","","","1.089","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085273","16.7321","0.0019","16.7321","0.0019","7.963","0.0005","90","","90","","90","","2229.3","0.4","150","1","150","1","","","","","","","","5","P -4","P -4","81","","","","- C24 H23 Cl2 N2 Sb -","- C24 H23 Cl2 N2 Sb -","- C96 H92 Cl8 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0504","0.0434","","","0.0881","0.0917","","","","","","1.145","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085274","14.3031","0.0011","11.892","0.0009","19.8789","0.0011","90","","133.236","0.005","90","","2463.4","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H24.5 Bi Cl6.5 N2 -","- C17 H24 Bi Cl5 N2 -","- C68 H96 Bi4 Cl20 N8 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0497","0.0381","","","0.0944","0.1065","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085275","12.3751","0.001","17.897","0.0008","19.572","0.0012","90","","127.755","0.006","90","","3427.2","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl7 N2 Sb -","- C30 H36 Cl7 N2 Sb -","- C120 H144 Cl28 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0441","0.0276","","","0.0492","0.0561","","","","","","1.115","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085276","8.238","0.0004","9.037","0.0007","30.539","0.003","90","","98.626","0.006","90","","2247.8","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N2 Sb -","- C26 H29 N2 Sb -","- C104 H116 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0664","0.0593","","","0.1186","0.122","","","","","","1.22","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085277","10.659","0.0013","15.7679","0.0019","17.727","0.0011","90","","92.542","0.007","90","","2976.4","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 N2 Sb -","- C36 H33 N2 Sb -","- C144 H132 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0664","0.0421","","","0.0894","0.1084","","","","","","1.12","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085278","10.9171","0.0008","13.9881","0.0012","16.427","0.0011","90","","110.7","0.006","90","","2346.6","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Bi N2 -","- C26 H29 Bi N2 -","- C104 H116 Bi4 N8 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution","Organometallics","2015","34","2","534","","10.1021/om5011879","","","0.71073","MoKα","","0.0439","0.0251","","","0.045","0.0518","","","","","","1.113","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085279","16.5189","0.0004","9.9102","0.0002","18.2717","0.0003","90","","97.748","0.002","90","","2963.87","0.11","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ^2^-1,4-Benzenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-diiodo-diiron","","- C50 H100 Fe2 I2 P8 -","- C50 H100 Fe2 I2 P8 -","- C100 H200 Fe4 I4 P16 -","2","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0454","0.0375","","","0.0902","0.0985","","","","","","1.041","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085280","16.1604","0.0001","13.9634","0.0001","27.1193","0.0002","90","","100.184","0.001","90","","6023.17","0.07","183","0.1","183","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(μ^2^-1,3-Benzenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-diiodo-diiron","","- C50 H100 Fe2 I2 P8 -","- C50 H100 Fe2 I2 P8 -","- C200 H400 Fe8 I8 P32 -","4","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.7107","MoKα","","0.0263","0.0235","","","0.0602","0.0625","","","","","","1.076","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085281","12.1821","0.0004","29.8188","0.001","19.5967","0.0008","90","","124.521","0.003","90","","5865.2","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ^2^-2,5-Thiophenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-diiodo-diiron","","- C48 H98 Fe2 I2 P8 S -","- C48 H98 Fe2 I2 P8 S -","- C192 H392 Fe8 I8 P32 S4 -","4","1","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0899","0.0712","","","0.1803","0.1965","","","","","","1.032","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085282","16.5273","0.0005","28.5966","0.001","20.0805","0.0007","90","","101.221","0.004","90","","9309.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(μ^3^-1,3,5-Benzenetriethynyl)-hexakis(ethane-1,2-diylbis(diethylphosphine))-triiodo-triiron","","- C75 H150 Fe3 I3 P12 -","- C75 H150 Fe3 I3 P12 -","- C300 H600 Fe12 I12 P48 -","4","1","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","1.54184","CuKα","","0.2208","0.1298","","","0.3467","0.4288","","","","","","1.114","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085283","9.4939","0.0006","12.9379","0.0005","29.598","0.002","90","","90.369","0.006","90","","3635.5","0.4","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ^2^-1,4-Benzenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-bis(isothiocyanato)-diiron","","- C64 H110 Cl2 Fe2 N2 P8 S2 -","- C64 H110 Cl2 Fe2 N2 P8 S2 -","- C128 H220 Cl4 Fe4 N4 P16 S4 -","2","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0865","0.0598","","","0.1362","0.1536","","","","","","1.021","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085284","12.3808","0.0002","17.8464","0.0002","29.4377","0.0004","90","","90","","90","","6504.34","0.16","183","1","183","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(μ^2^-Biphenyl-4,4'-diethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-bis(isothiocyanato)-diiron","","- C58 H104 Fe2 N2 P8 S2 -","- C58 H104 Fe2 N2 P8 S2 -","- C232 H416 Fe8 N8 P32 S8 -","4","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0513","0.0392","","","0.092","0.0992","","","","","","1.023","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085285","17.8328","0.0004","20.0399","0.0004","18.9596","0.0004","90","","117.489","0.003","90","","6010.6","0.3","183","2","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ^2^-2,5-Thiophenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-bis(isothiocyanato)-diiron","","- C50 H98 Fe2 N2 P8 S3 -","- C50 H98 Fe2 N2 P8 S3 -","- C200 H392 Fe8 N8 P32 S12 -","4","1","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.1383","0.1044","","","0.211","0.2259","","","","","","1.131","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085286","13.8897","0.001","14.0724","0.001","15.2067","0.0011","115.246","0.0008","100.83","0.0009","97.844","0.0009","2560.8","0.3","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H70 K N2 O6 Si2 Y -","- C44 H70 K N2 O6 Si2 Y -","- C88 H140 K2 N4 O12 Si4 Y2 -","2","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.064","0.0409","","","0.0897","0.0967","","","","","","1.038","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085287","12.2805","0.0009","14.5596","0.0011","15.7729","0.0012","101.872","0.0009","100.73","0.0009","97.3023","0.0009","2671.2","0.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H78 K La N2 O7 Si2 -","- C48 H78 K La N2 O7 Si2 -","- C96 H156 K2 La2 N4 O14 Si4 -","2","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0382","0.0338","","","0.0857","0.0891","","","","","","1.045","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085288","13.549","0.002","15.974","0.003","25.192","0.004","90","","96.954","0.002","90","","5412.2","1.6","88","2","88","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Ce K N2 O7 Si2 -","- C48 H80 Ce K N2 O7 Si2 -","- C192 H320 Ce4 K4 N8 O28 Si8 -","4","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0488","0.0305","","","0.0605","0.0664","","","","","","1.017","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085289","13.4991","0.001","13.81","0.001","14.094","0.001","105.055","0.0008","105.818","0.0009","94.8493","0.0009","2406.8","0.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H70 Dy K N2 O6 Si2 -","- C44 H70 Dy K N2 O6 Si2 -","- C88 H140 Dy2 K2 N4 O12 Si4 -","2","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0499","0.0357","","","0.08","0.0856","","","","","","1.047","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085290","14.0555","0.0007","14.0598","0.0007","17.1532","0.0008","110.064","0.0006","104.683","0.0006","105.265","0.0006","2842","0.2","83","2","83","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H88 K N2 O6 Si4 Y -","- C50 H88 K N2 O6 Si4 Y -","- C100 H176 K2 N4 O12 Si8 Y2 -","2","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0727","0.0439","","","0.088","0.0972","","","","","","1.015","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085291","15.6762","0.001","19.4638","0.0013","20.4049","0.0013","90","","110.328","0.0008","90","","5838.1","0.7","88","2","88","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H88 K La N2 O6 Si4 -","- C50 H88 K La N2 O6 Si4 -","- C200 H352 K4 La4 N8 O24 Si16 -","4","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0391","0.0248","","","0.0464","0.0507","","","","","","1.03","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085292","14.2515","0.0014","15.9542","0.0015","26.784","0.003","90","","90","","90","","6089.9","1.1","88","2","88","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H49 K N2 O6 Si -","- C26 H49 K N2 O6 Si -","- C208 H392 K8 N16 O48 Si8 -","8","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0573","0.0356","","","0.0786","0.088","","","","","","1.006","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085293","13.5048","0.0012","14.5551","0.0013","15.5193","0.0014","115.402","0.001","99.9025","0.0011","101.15","0.0011","2589.3","0.4","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H77 K N2 O6.5 Si2 Y -","- C48 H77 K N2 O6.5 Si2 Y -","- C96 H154 K2 N4 O13 Si4 Y2 -","2","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0599","0.0398","","","0.0881","0.0962","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085294","13.7425","0.0009","14.5093","0.0009","24.4622","0.0015","87.862","0.0008","76.9109","0.0008","84.6246","0.0008","4729.3","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 B K N2 O7.5 -","- C48 H69 B K N2 O7.5 -","- C192 H276 B4 K4 N8 O30 -","4","2","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.093","0.0711","","","0.1886","0.2074","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085295","12.087","0.0005","11.422","0.0009","12.2411","0.0008","90","","90","","90","","1689.98","0.19","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H9 B8 Br -","- C2 H9 B8 Br -","- C16 H72 B64 Br8 -","8","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Padělková, Zdenka; Růžička, Aleš","Simple Synthesis, Halogenation, and Rearrangement ofcloso-1,6-C2B8H10","Organometallics","2015","34","2","450","","10.1021/om500988z","","","0.71073","MoKα","","0.0543","0.0366","","","0.088","0.1003","","","","","","1.137","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085296","9.566","0.005","10.47","0.005","22.72","0.01","88.16","0.03","82.35","0.03","71.64","0.04","2140.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bromo((4-cyanophenyl)ethynyl)bis(triphenylphosphine)palladium","","- C52 H42 Br N P2 Pd -","- C52 H42 Br N P2 Pd -","- C104 H84 Br2 N2 P4 Pd2 -","2","1","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.0848","0.0403","","","0.0619","0.0676","","","","","","0.825","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085297","10.032","0.005","19.823","0.009","19.438","0.009","90","","100.05","0.04","90","","3806","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","bromo((4-nitrophenyl)ethynyl)bis(triphenylphosphine)palladium","","- C44 H34 Br N O2 P2 Pd -","- C44 H34 Br N O2 P2 Pd -","- C176 H136 Br4 N4 O8 P8 Pd4 -","4","2","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.0876","0.0461","","","0.0687","0.0753","","","","","","0.81","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085298","9.281","0.003","35.018","0.012","12.2","0.004","90","","108.02","0.03","90","","3771","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bromo((4-nitrophenyl)butadiynyl)bis(triphenylphosphine)palladium","","- C46 H34 Br N O2 P2 Pd -","- C46 H34 Br N O2 P2 Pd -","- C184 H136 Br4 N4 O8 P8 Pd4 -","4","1","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.1265","0.0474","","","0.0625","0.0686","","","","","","0.813","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085299","9.184","0.004","35.529","0.016","12.422","0.006","90","","107.59","0.04","90","","3864","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bromo((4-cyanophenyl)butadiynyl)bis(triphenylphosphine)palladium","","- C48 H37 Br O P2 Pd -","- C48 H37 Br O P2 Pd -","- C192 H148 Br4 O4 P8 Pd4 -","4","1","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.0717","0.0371","","","0.0612","0.0661","","","","","","0.867","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085300","11.738","0.008","27.377","0.012","17.575","0.007","90","","124.46","0.04","90","","4657","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bromo((4-benzoylphenyl)butadiynyl)bis(triphenylphosphine)palladium","","- C51 H38 Br Cl4 N P2 Pd -","- C51 H38 Br Cl4 N P2 Pd -","- C204 H152 Br4 Cl16 N4 P8 Pd4 -","4","1","","Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir","Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4","Organometallics","2015","34","4","673","","10.1021/om501105w","","","0.71073","MoKα","","0.1261","0.0451","","","0.0491","0.0556","","","","","","0.801","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085301","16.949","0.006","10.441","0.003","19.846","0.006","90","","111.53","0.02","90","","3267","1.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H50 Li2 N2 O4 -","- C50 H68 Li2 N2 O4 -","- C100 H136 Li4 N4 O8 -","2","0.5","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.1834","0.0983","","","0.2461","0.2803","","","","","","0.944","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085302","8.339","0.002","11.36","0.003","11.364","0.003","89.73","0.02","76.207","0.014","86.499","0.019","1043.5","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Li2 N2 O4 -","- C46 H60 Li2 N2 O4 -","- C46 H60 Li2 N2 O4 -","1","0.5","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.1053","0.058","","","0.1494","0.1712","","","","","","1.05","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085303","16.214","0.005","23.255","0.005","18.749","0.006","90","","103.69","0.03","90","","6869","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 Li2 N2 O4 -","- C62 H92 Li2 N2 O4 -","- C248 H368 Li8 N8 O16 -","4","0.5","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.1134","0.0763","","","0.219","0.2442","","","","","","0.99","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085304","9.1395","0.0019","13.923","0.0012","26.217","0.005","90","","97.2","0.02","90","","3309.8","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 N2 Na2 O4 -","- C72 H100 N2 Na2 O4 -","- C144 H200 N4 Na4 O8 -","2","0.5","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.1176","0.0768","","","0.2277","0.2608","","","","","","1.093","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085305","11.372","0.006","17.158","0.01","20.651","0.002","78.495","0.015","83.256","0.017","72.24","0.03","3753","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 K N O4 -","- C37 H58 K N O4 -","- C148 H232 K4 N4 O16 -","4","2","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.1456","0.0744","","","0.1791","0.2119","","","","","","1.038","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4085306","28.535","0.004","16.268","0.012","46.622","0.018","90","","105.472","0.018","90","","20858","18","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H132 K4 N4 O9.5 -","- C92 H108 K4 N4 O8 -","- C736 H864 K32 N32 O64 -","8","1","","García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús","Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes","Organometallics","2015","34","2","477","","10.1021/om501000b","","x-ray","0.71073","MoKα","","0.2333","0.0779","","","0.1907","0.236","","","","","","0.793","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085307","9.5903","0.0002","12.1744","0.0003","30.5707","0.0009","82.3768","0.0019","86.935","0.002","75.4857","0.0013","3424.1","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H104 Br2 Ge2 Si8 -","- C54 H104 Br2 Ge2 Si8 -","- C108 H208 Br4 Ge4 Si16 -","2","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro","Synthesis and Characterization of a 1,2-Digermabenzene","Organometallics","2015","34","11","2106","","10.1021/om501204u","","","0.7107","MoKα","","0.0683","0.0449","","","0.11","0.1256","","","","","","1.021","","","","has coordinates","275244","2022-05-09","01:17:17",""
"4085308","13.2964","0.0004","16.412","0.001","17.2864","0.0008","87.04","0.002","73.057","0.002","69.16","0.003","3366.7","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H104 Ge2 Si8 -","- C54 H104 Ge2 Si8 -","- C108 H208 Ge4 Si16 -","2","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro","Synthesis and Characterization of a 1,2-Digermabenzene","Organometallics","2015","34","11","2106","","10.1021/om501204u","","","0.71075","MoKα","","0.0936","0.0604","","","0.1549","0.1718","","","","","","1.016","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085309","18.2435","0.0003","30.6273","0.0004","12.6638","0.0002","90","","90","","90","","7075.89","0.19","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H108 Ge2 Si8 -","- C58 H108 Ge2 Si8 -","- C232 H432 Ge8 Si32 -","4","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro","Synthesis and Characterization of a 1,2-Digermabenzene","Organometallics","2015","34","11","2106","","10.1021/om501204u","","","0.71075","MoKα","","0.0579","0.0405","","","0.1008","0.1128","","","","","","1.034","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085310","8.1278","0.0004","18.991","0.0009","17.1607","0.0008","90","","100.85","0.002","90","","2601.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O4 Pd S -","- C27 H26 N4 O4 Pd S -","- C108 H104 N16 O16 Pd4 S4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0331","0.0248","","","0.0596","0.0632","","","","","","0.951","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085311","29.29","0.007","29.304","0.008","8.847","0.002","90","","90.364","0.005","90","","7593","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H22 Br N3 Pd -","- C19 H22 Br N3 Pd -","- C304 H352 Br16 N48 Pd16 -","16","4","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0744","0.0628","","","0.1485","0.156","","","","","","1.016","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085312","13.4782","0.0006","11.3904","0.0005","16.0075","0.0007","90","","90.924","0.002","90","","2457.19","0.19","99","2","99","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H26 N4 O3 Pd S -","- C26 H26 N4 O3 Pd S -","- C104 H104 N16 O12 Pd4 S4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0453","0.0317","","","0.0736","0.0787","","","","","","1.025","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085313","13.6655","0.0006","11.2625","0.0005","15.8256","0.0007","90","","96.263","0.001","90","","2421.14","0.19","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 N4 O2 Pd -","- C27 H26 N4 O2 Pd -","- C108 H104 N16 O8 Pd4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0379","0.0297","","","0.0716","0.0756","","","","","","0.988","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085314","8.078","0.0009","8.1647","0.0011","15.667","0.002","88.433","0.011","86.353","0.01","77.394","0.01","1006.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Co4 O12 Si2 -","- C32 H34 Co4 O12 Si2 -","- C32 H34 Co4 O12 Si2 -","1","0.5","","Melikyan, Gagik G.; Hughes, Rhoda; Rivas, Bianca; Duncan, Kellyanne; Sahakyan, Nare","Assembling Contiguous Quaternary Carbon Atoms: Regio- and Stereoselective Rearrangements in Cobalt-Directed Radical Reactions of 1,4-Enynes","Organometallics","2015","34","1","242","","10.1021/om501096x","","","1.54178","CuKα","","0.1379","0.0882","","","0.2236","0.2563","","","","","","1.044","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085315","8.1999","0.0006","9.5531","0.0007","14.6985","0.0011","93.156","0.001","95.574","0.001","114.561","0.0008","1036.46","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Co4 O12 Si2 -","- C34 H38 Co4 O12 Si2 -","- C34 H38 Co4 O12 Si2 -","1","0.5","","Melikyan, Gagik G.; Hughes, Rhoda; Rivas, Bianca; Duncan, Kellyanne; Sahakyan, Nare","Assembling Contiguous Quaternary Carbon Atoms: Regio- and Stereoselective Rearrangements in Cobalt-Directed Radical Reactions of 1,4-Enynes","Organometallics","2015","34","1","242","","10.1021/om501096x","","","0.71073","MoKα","","0.0298","0.0256","","","0.065","0.0679","","","","","","1.03","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085316","10.5383","0.001","12.6574","0.0012","14.6343","0.0014","105.492","0.002","102.412","0.002","90.028","0.002","1833.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl Ir N2 -","- C20 H24 Cl Ir N2 -","- C80 H96 Cl4 Ir4 N8 -","4","2","","Hale, Lillian V. A.; McGarry, Kathryn A.; Ringgold, Marissa A.; Clark, Timothy B.","Role of Hemilabile Diamine Ligands in the Amine-Directed C‒H Borylation of Arenes","Organometallics","2015","34","1","51","","10.1021/om5007837","","","0.71073","MoKα","","0.046","0.0379","","","0.1001","0.1074","","","","","","1.039","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4085317","9.6038","0.0002","19.1648","0.0004","17.7314","0.0013","90","","97.59","0.007","90","","3235","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Cl N2 Pd -","- C34 H49 Cl N2 Pd -","- C136 H196 Cl4 N8 Pd4 -","4","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.0273","0.0257","","","0.0607","0.0615","","","","","","1.076","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085318","12.3959","0.0003","16.5584","0.0004","31.349","0.002","90","","91.267","0.006","90","","6433","0.5","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31.5 H44 Cl2 N2 O Pd -","- C31.5 H44 Cl2 N2 O Pd -","- C252 H352 Cl16 N16 O8 Pd8 -","8","4","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.0713","0.0488","","","0.0789","0.0865","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085319","14.2768","0.0004","12.3949","0.0003","17.6537","0.0012","90","","105.562","0.007","90","","3009.5","0.3","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63 H81 Cl N4 Pd2 -","- C63 H81 Cl N4 Pd2 -","- C126 H162 Cl2 N8 Pd4 -","2","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","1.54187","CuKα","","","0.0295","","","","0.0784","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085320","13.273","0.008","12.2611","0.0003","40.243","0.003","90","","98.506","0.019","90","","6477","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H97 Cl N4 Pd2 -","- C66 H97 Cl N4 Pd2 -","- C264 H388 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.0298","0.027","","","0.0641","0.0658","","","","","","1.11","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085321","11.6276","0.0004","12.2928","0.0005","19.4757","0.0013","90","","100.534","0.007","90","","2736.9","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H79 Cl N4 O Pd2 -","- C58 H79 Cl N4 O Pd2 -","- C116 H158 Cl2 N8 O2 Pd4 -","2","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","x-ray","0.71075","MoKα","","0.0408","0.0388","","","0.0888","0.0899","","","","","","1.07","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085322","19.7597","0.0013","11.8025","0.0002","24.259","0.003","90","","108.371","0.007","90","","5369.2","0.8","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H38 Cl0.5 N2.5 Pd -","- C29 H38 Cl0.5 N2.5 Pd -","- C232 H304 Cl4 N20 Pd8 -","8","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.1055","0.097","","","0.2202","0.2239","","","","","","1.29","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085323","21.291","0.004","10.4349","0.0019","22.176","0.004","90","","115.267","0.003","90","","4455.5","1.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 F3 N2 O4 Os P S -","- C44 H64 F3 N2 O4 Os P S -","- C176 H256 F12 N8 O16 Os4 P4 S4 -","4","1","","Buil, Mar\?ía L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","Hydroboration and Hydrogenation of an Osmium‒Carbon Triple Bond: Osmium Chemistry of a Bis-σ-Borane","Organometallics","2015","34","3","547","","10.1021/om501274x","","","0.71073","MoKα","","0.0891","0.0516","","","0.0963","0.1136","","","","","","1.028","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085324","12.0337","0.0006","20.8623","0.001","17.9007","0.0009","90","","109.077","0.001","90","","4247.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B N2 Os P -","- C43 H68 B N2 Os P -","- C172 H272 B4 N8 Os4 P4 -","4","1","","Buil, Mar\?ía L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","Hydroboration and Hydrogenation of an Osmium‒Carbon Triple Bond: Osmium Chemistry of a Bis-σ-Borane","Organometallics","2015","34","3","547","","10.1021/om501274x","","","0.71073","MoKα","","0.0437","0.0314","","","0.0507","0.0545","","","","","","1.07","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085325","12.112","0.002","12.152","0.002","35.128","0.007","81.728","0.003","86.522","0.003","74.427","0.003","4927.4","1.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46.88 H73 Cl0.75 F3 N2 O3.63 Os P S -","- C46.875 H73 Cl0.75 F3 N2 O3.625 Os P S -","- C187.5 H292 Cl3 F12 N8 O14.5 Os4 P4 S4 -","4","2","","Buil, Mar\?ía L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","Hydroboration and Hydrogenation of an Osmium‒Carbon Triple Bond: Osmium Chemistry of a Bis-σ-Borane","Organometallics","2015","34","3","547","","10.1021/om501274x","","","0.71073","MoKα","","0.065","0.0424","","","0.0978","0.1066","","","","","","1.028","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085326","16.6242","0.0004","13.8197","0.0003","20.6116","0.0005","90","","94.78","0.002","90","","4718.87","0.19","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H76 Cl3 N3 O Pd -","- C43 H76 Cl3 N3 O Pd -","- C172 H304 Cl12 N12 O4 Pd4 -","4","1","","Guest, Daniel; Menezes da Silva, Vitor H.; de Lima Batista, Ana P.; Roe, S. Mark; Braga, Ataualpa A. C.; Navarro, Oscar","(N-Heterocyclic Carbene)-Palladate Complexes in Anionic Mizoroki‒Heck Coupling Cycles: A Combined Experimental and Computational Study","Organometallics","2015","34","11","2463","","10.1021/om5012038","","x-ray","0.71073","MoKα","","0.0649","0.0401","","","0.089","0.0999","","","","","","1.033","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085327","9.2246","0.0001","20.7046","0.0003","11.5888","0.0002","90","","101.066","0.001","90","","2172.21","0.05","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","complex_2_amide","amido(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))uranium(IV)","","- C41 H77 N O Si2 U -","- C41 H78 N O Si2 U -","- C82 H156 N2 O2 Si4 U2 -","2","0.5","","Higgins Frey, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and Reactivity of a Mixed-Sandwich Uranium(IV) Primary Amido Complex","Organometallics","2015","34","11","2102","","10.1021/om501190x","","x-ray","0.71073","MoKα","","0.0367","0.0285","","","0.0593","0.0617","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085328","8.8461","0.0002","11.9688","0.0003","19.1218","0.0013","101.496","0.007","93.003","0.007","104.307","0.007","1911.37","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","complex_3_carbamate","(kappa-2-carbamato)(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))uranium(IV)","","- C37 H65 N O2 Si2 U -","- C37 H65 N O2 Si2 U -","- C74 H130 N2 O4 Si4 U2 -","2","1","","Higgins Frey, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and Reactivity of a Mixed-Sandwich Uranium(IV) Primary Amido Complex","Organometallics","2015","34","11","2102","","10.1021/om501190x","","","0.71075","MoKα","","0.0287","0.0266","","","0.0687","0.0699","","","","","","1.05","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085329","12.2587","0.0003","12.8618","0.0003","32.6338","0.0006","95.026","0.002","91.723","0.002","91.733","0.002","5120.4","0.2","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H72 Fe K O8 P -","- C53 H72 Fe K O8 P -","- C212 H288 Fe4 K4 O32 P4 -","4","2","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54178","CuKα","","0.0624","0.0571","","","0.146","0.151","","","","","","1.028","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085330","26.9659","0.0006","20.6879","0.0004","22.0458","0.0004","90","","125.939","0.002","90","","9957.5","0.4","123","1","123","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H70 Fe K O8.5 P -","- C51 H70 Fe K O8.5 P -","- C408 H560 Fe8 K8 O68 P8 -","8","1","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","0.71073","MoKα","","0.0526","0.0453","","","0.1185","0.1226","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085331","10.2166","0.0003","10.7026","0.0003","23.9655","0.0006","98.774","0.002","101.682","0.002","90.058","0.002","2534.8","0.12","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 Fe2 P2 -","- C66 H64 Fe2 P2 -","- C132 H128 Fe4 P4 -","2","1","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54184","CuKα","","0.067","0.049","","","0.1164","0.1273","","","","","","1.021","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085332","11.2893","0.0001","15.2601","0.0001","18.9527","0.0002","90","","98.011","0.001","90","","3233.23","0.05","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 D6 Fe I P -","- C39 H32 D6 Fe I P -","- C156 H128 D24 Fe4 I4 P4 -","4","1","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54178","CuKα","","0.0338","0.0295","","","0.0736","0.0765","","","","","","1.042","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085333","17.6804","0.0005","18.1961","0.0005","18.5988","0.0006","102.503","0.002","90.002","0.002","101.497","0.002","5718.6","0.3","123","0.1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Fe N P -","- C35 H38 Fe N P -","- C280 H304 Fe8 N8 P8 -","8","4","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54178","CuKα","","0.0663","0.0443","","","0.1037","0.1175","","","","","","1.017","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085334","15.8914","0.0002","14.387","0.0002","14.8324","0.0002","90","","90","","90","","3391.13","0.08","123","1","123","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H47 Fe P -","- C43 H47 Fe P -","- C172 H188 Fe4 P4 -","4","0.5","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54178","CuKα","","0.0927","0.0827","","","0.2229","0.233","","","","","","1.019","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085335","11.9388","0.0002","16.8436","0.0002","13.23897","0.00018","90","","106.858","0.0016","90","","2547.85","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Fe P -","- C33 H33 Fe P -","- C132 H132 Fe4 P4 -","4","1","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","1.54184","CuKα","","0.0469","0.0398","","","0.1062","0.1117","","","","","","1.036","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085336","20.012","0.0002","13.6296","0.0001","19.429","0.0001","90","","92.066","0.001","90","","5295.92","0.07","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 Fe Ga I N2 P -","- C62 H73 Fe Ga I N2 P -","- C248 H292 Fe4 Ga4 I4 N8 P4 -","4","1","","Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert","Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes","Organometallics","2015","34","3","622","","10.1021/om501161y","","","0.71073","MoKα","","0.0371","0.0365","","","0.0918","0.0921","","","","","","1.171","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085337","8.9374","0.0007","12.0045","0.0009","16.5567","0.0013","74.131","0.009","82.93","0.009","68.19","0.008","1585.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H49 Br2 Fe Na O4 -","- C25 H49 Br2 Fe Na O4 -","- C50 H98 Br4 Fe2 Na2 O8 -","2","1","","Vollmer, Guy Y.; Wallasch, Mark W.; Saurenz, Dirk; Eger, Tobias R.; Bauer, Heiko; Wolmershäuser, Gotthelf; Prosenc, Marc H.; Sitzmann, Helmut","Benzylidyne Bridges from Diphenylacetylene and a Methylidyne Bridge from Methylmagnesium Chloride","Organometallics","2015","34","3","644","","10.1021/om501236h","","","0.71073","MoKα","","0.0709","0.0412","","","0.0882","0.0956","","","","","","0.864","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085338","11.4246","0.0009","17.1036","0.001","11.7811","0.0009","90","","113.143","0.009","90","","2116.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Fe2 -","- C48 H68 Fe2 -","- C96 H136 Fe4 -","2","0.5","","Vollmer, Guy Y.; Wallasch, Mark W.; Saurenz, Dirk; Eger, Tobias R.; Bauer, Heiko; Wolmershäuser, Gotthelf; Prosenc, Marc H.; Sitzmann, Helmut","Benzylidyne Bridges from Diphenylacetylene and a Methylidyne Bridge from Methylmagnesium Chloride","Organometallics","2015","34","3","644","","10.1021/om501236h","","","0.71073","MoKα","","0.039","0.0285","","","0.0709","0.0736","","","","","","0.957","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085339","10.211","0.0011","22.631","0.003","22.979","0.0018","90","","99.13","0.007","90","","5242.8","1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 N4 O2 Sn -","- C54 H88 N4 O2 Sn -","- C216 H352 N16 O8 Sn4 -","4","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.1001","0.0728","","","0.1606","0.1788","","","","","","1.169","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085340","20.8783","0.0006","17.8702","0.0004","16.224","0.0003","90","","90.562","0.004","90","","6052.9","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H94 Cl4 N4 O6 Sn -","- C56 H94 Cl4 N4 O6 Sn -","- C224 H376 Cl16 N16 O24 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0512","0.0402","","","0.1036","0.1173","","","","","","1.129","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085341","10.949","0.0006","12.8451","0.0008","17.1079","0.0007","101.255","0.004","98.585","0.004","101.73","0.006","2265.3","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H72 N4 O2 Sn -","- C48 H72 N4 O2 Sn -","- C96 H144 N8 O4 Sn2 -","2","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0402","0.0301","","","0.0663","0.0748","","","","","","1.137","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085342","17.316","0.0013","33.179","0.0012","16.012","0.004","90","0.007","90","0.009","90","0.005","9199","2","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C92 H155 N8 O2 Sn2 -","- C68 H124 N8 O2 Sn2 -","- C272 H496 N32 O8 Sn8 -","4","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0886","0.0831","","","0.1983","0.2025","","","","","","1.141","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085343","14.896","0.0009","14.95","0.0005","21.3501","0.0007","90","","129.944","0.004","90","","3645.2","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 Cl2 N4 Sn -","- C34 H62 Cl2 N4 Sn -","- C136 H248 Cl8 N16 Sn4 -","4","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0507","0.0305","","","0.0533","0.0615","","","","","","1.112","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085344","16.4173","0.0005","13.233","0.0002","21.3892","0.0004","90","","110.551","0.003","90","","4351.08","0.19","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H70 N4 O2 Sn -","- C48 H70 N4 O2 Sn -","- C192 H280 N16 O8 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.032","0.0237","","","0.0521","0.0575","","","","","","1.121","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085345","15.9901","0.0003","13.7164","0.0006","20.5412","0.0005","90","","110.573","0.005","90","","4217.9","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N4 O2 Sn -","- C46 H68 N4 O2 Sn -","- C184 H272 N16 O8 Sn4 -","4","0.5","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.053","0.0363","","","0.0772","0.0869","","","","","","1.146","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085346","8.455","0.0004","11.1981","0.0005","15.7039","0.0011","86.51","0.006","77.977","0.005","87.67","0.006","1450.94","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 N2 O2 Sn -","- C32 H42 N2 O2 Sn -","- C64 H84 N4 O4 Sn2 -","2","1","","Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš","Oxidative Additions of Homoleptic Tin(II) Amidinate","Organometallics","2015","34","3","606","","10.1021/om501074m","","","0.71073","MoKα","","0.0281","0.0232","","","0.0528","0.056","","","","","","1.082","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085347","8.4","0.002","14.467","0.003","15.763","0.003","98.11","0.03","104.33","0.03","104.46","0.03","1754.6","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","Motis-287 (Sara)","","","- C28 H48 Cl2 N6 Si2 U -","- C28 H48 Cl2 N6 Si2 U -","- C56 H96 Cl4 N12 Si4 U2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Eisen, Moris S.","Actinide Amidinate Complexes with a Dimethylamine Side Arm: Synthesis, Structural Characterization, and Reactivity","Organometallics","2015","34","3","636","","10.1021/om501179e","","","0.71073","MoKα","","0.1039","0.0864","","","0.2324","0.243","","","","","","1.052","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085348","22.264","0.004","10.526","0.002","33.092","0.007","90","","106.65","0.03","90","","7430","3","250","1","250","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Moris-313(Sara)","","","- C28 H50 Cl2 N8 Si2 U -","- C28 H50 Cl2 N8 Si2 U -","- C224 H400 Cl16 N64 Si16 U8 -","8","1","","Karmel, Isabell S. R.; Fridman, Natalia; Eisen, Moris S.","Actinide Amidinate Complexes with a Dimethylamine Side Arm: Synthesis, Structural Characterization, and Reactivity","Organometallics","2015","34","3","636","","10.1021/om501179e","","","0.71073","MoKα","","0.0575","0.0296","","","0.0541","0.0594","","","","","","0.861","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085349","9.127","0.0002","11.537","0.0003","19.499","0.0006","96.073","0.0012","91.968","0.0012","96.194","0.0017","2027.59","0.09","240","2","240","2","","","","","","","","6","P -1","-P 1","2","moris352","","","- C67 H111 Cl4 N12 Si4 Th2 -","- C67 H111 Cl4 N12 Si4 Th2 -","- C67 H111 Cl4 N12 Si4 Th2 -","1","0.5","","Karmel, Isabell S. R.; Fridman, Natalia; Eisen, Moris S.","Actinide Amidinate Complexes with a Dimethylamine Side Arm: Synthesis, Structural Characterization, and Reactivity","Organometallics","2015","34","3","636","","10.1021/om501179e","","","0.71073","MoKα","","0.0614","0.042","","","0.1045","0.1154","","","","","","1.068","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085350","14.014","0.003","23.494","0.005","20.568","0.004","90","","101.149","0.004","90","","6644","2","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H46 Si4 Zr -","- C30 H44.25 Si4 Zr -","- C240 H354 Si32 Zr8 -","8","2","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.1641","0.0759","","","0.1359","0.1612","","","","","","1.043","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085351","6.5912","0.0002","13.0722","0.0004","15.5139","0.0004","90.062","0.002","94.187","0.002","96.88","0.002","1323.47","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H38 Si4 -","- C20 H38 Si4 -","- C40 H76 Si8 -","2","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.0533","0.0383","","","0.095","0.1066","","","","","","1.072","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085352","11.6179","0.0005","10.1683","0.0005","25.7646","0.0012","90","","94.355","0.001","90","","3034.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Zr -","- C42 H30 Zr -","- C168 H120 Zr4 -","4","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.05","0.0353","","","0.0792","0.0866","","","","","","0.989","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085353","13.6414","0.0008","11.76","0.0007","20.4613","0.0011","90","","106.78","0.001","90","","3142.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Si2 Zr -","- C36 H38 Si2 Zr -","- C144 H152 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.0429","0.0322","","","0.078","0.0836","","","","","","1.021","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085354","16.1543","0.0003","8.0167","0.0001","25.2269","0.0004","90","","106.449","0.001","90","","3133.28","0.09","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Si2 Zr -","- C34 H38 Si2 Zr -","- C136 H152 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Rosenthal, Uwe; Shur, Vladimir B.","Thermal Isomerization of the Buchwald Seven-Membered Zirconacyclocumulene and Its Interaction with Acetylenes. Synthesis and Structures of Novel Seven-Membered Zirconacyclocumulene Complexes","Organometallics","2015","34","11","2471","","10.1021/om501205s","","","0.71073","MoKα","","0.0465","0.0358","","","0.0813","0.0865","","","","","","1.104","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085355","19.162","0.0005","11.805","0.0005","19.681","0.0009","90","","118.26","0.003","90","","3921.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hf=Ge complex","Hf-germylene complex","","- C35 H69 Ge Hf P Si2 -","- C35 H69 Ge Hf P Si2 -","- C140 H276 Ge4 Hf4 P4 Si8 -","4","1","","Nakata, Norio; Aoki, Shinji; Lee, Vladimir Ya.; Sekiguchi, Akira","A Schrock-Type Germylene Complex: (η5-C5H4Et)2(PMe3)Hf═Ge(SiMetBu2)2","Organometallics","2015","34","11","2699","","10.1021/om501134a","","","0.7107","MoKα","","0.048","0.0451","","","0.1201","0.1259","","","","","","1.094","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085356","4.6293","0.0007","6.1725","0.0012","23.957","0.004","90","","90","","90","","684.6","0.2","298","2","298","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C15 H14 F2 N2 O -","- C15 H14 F2 N2 O -","- C30 H28 F4 N4 O2 -","2","0.5","","González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J.","SelectiveN-Methylation of Aliphatic Amines with CO2and Hydrosilanes Using Nickel-Phosphine Catalysts","Organometallics","2015","34","4","763","","10.1021/om501176u","","","0.71073","MoKα","","0.1319","0.0595","","","0.1131","0.1459","","","","","","0.998","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085357","17.472","0.005","10.794","0.005","20.589","0.005","90","0.005","98.904","0.005","90","0.005","3836","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 N2 O U -","- C46 H57 N2 O U -","- C184 H228 N8 O4 U4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; Gardiner, Michael G.; Love, Jason B.","Uranium(III) Coordination Chemistry and Oxidation in a Flexible Small-Cavity Macrocycle","Organometallics","2015","34","11","2114","","10.1021/om5012193","","","0.71073","MoKα","","0.0372","0.0286","","","0.0504","0.0527","","","","","","1.088","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085358","12.993","0.005","13.296","0.005","24.124","0.005","90","","122.539","0.012","90","","3513","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N3 Si2 U -","- C38 H54 N3 Si2 U -","- C152 H216 N12 Si8 U4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; Gardiner, Michael G.; Love, Jason B.","Uranium(III) Coordination Chemistry and Oxidation in a Flexible Small-Cavity Macrocycle","Organometallics","2015","34","11","2114","","10.1021/om5012193","","","0.71073","MoKα","","0.051","0.0417","","","0.0622","0.0645","","","","","","1.048","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085359","12.5995","0.0005","14.4004","0.0005","17.7411","0.0009","76.775","0.004","76.666","0.004","66.029","0.003","2828.8","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H48 B2 F20 N2 U -","- C63 H48 B2 F20 N2 U -","- C126 H96 B4 F40 N4 U2 -","2","1","","Arnold, Polly L.; Farnaby, Joy H.; Gardiner, Michael G.; Love, Jason B.","Uranium(III) Coordination Chemistry and Oxidation in a Flexible Small-Cavity Macrocycle","Organometallics","2015","34","11","2114","","10.1021/om5012193","","","0.71073","MoKα","","0.1194","0.0707","","","0.1028","0.1194","","","","","","1.012","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085360","10.6841","0.0004","11.7943","0.0004","14.4679","0.0006","75.259","0.003","83.293","0.003","85.431","0.003","1748.68","0.12","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 Au F6 N2 O4 S2 -","- C29 H39 Au F6 N2 O4 S2 -","- C58 H78 Au2 F12 N4 O8 S4 -","2","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0331","0.0298","","","0.0775","0.0794","","","","","","1.067","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085361","14.5492","0.0003","14.4711","0.0002","15.3831","0.0003","90","","116.533","0.002","90","","2897.68","0.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Au F4 N -","- C33 H40 Au F4 N -","- C132 H160 Au4 F16 N4 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.024","0.02","","","0.0462","0.048","","","","","","1.044","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085362","10.864","0.002","11.983","0.003","15.165","0.004","107.846","0.005","93.225","0.005","99.554","0.003","1841.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Au N O -","- C41 H50 Au N O -","- C82 H100 Au2 N2 O2 -","2","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","MoKα","","0.037","0.0365","","","0.1068","0.1073","","","","","","1.047","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085363","11.172","0.0003","11.9847","0.0003","12.2945","0.0003","84.392","0.002","66.244","0.003","77.726","0.002","1472.1","0.07","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H39 Au F6 N O Sb -","- C28 H39 Au F6 N O Sb -","- C56 H78 Au2 F12 N2 O2 Sb2 -","2","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.04","0.0348","","","0.0849","0.0888","","","","","","1.124","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085364","11.1563","0.0003","12.7846","0.0003","15.3216","0.0004","72.192","0.002","81.332","0.002","69.265","0.002","1943.62","0.09","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Au F8 N2 Sb -","- C38 H52 Au F8 N2 Sb -","- C76 H104 Au2 F16 N4 Sb2 -","2","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0241","0.0208","","","0.0437","0.0451","","","","","","1.025","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085365","11.3982","0.0004","11.7134","0.0005","20.4073","0.0006","100.85","0.003","97.045","0.004","94.389","0.003","2641.8","0.17","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H40 Au Cl N2 -","- C28.5 H40 Au Cl N2 -","- C114 H160 Au4 Cl4 N8 -","4","2","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0343","0.0259","","","0.0555","0.0597","","","","","","0.973","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085366","12.2146","0.0003","19.9562","0.0003","10.9345","0.0002","90","","91.951","0.002","90","","2663.82","0.09","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Au Cl3 N -","- C27 H39 Au Cl3 N -","- C108 H156 Au4 Cl12 N4 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0262","0.0209","","","0.0455","0.0475","","","","","","1.077","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085367","25.5845","0.0009","17.7129","0.0005","18.9015","0.0007","90","","100.103","0.003","90","","8432.9","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H117 Au3 Cl13 N3 -","- C81 H117 Au3 Cl13 N3 -","- C324 H468 Au12 Cl52 N12 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0394","0.0336","","","0.089","0.0925","","","","","","1.06","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085368","12.2786","0.0002","20.4603","0.0002","11.0983","0.0001","90","","93.1","0.001","90","","2784.08","0.06","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Au Br3 N -","- C27 H39 Au Br3 N -","- C108 H156 Au4 Br12 N4 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0284","0.0236","","","0.0553","0.0571","","","","","","1.037","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085369","9.6893","0.0003","9.7046","0.0003","17.0506","0.0006","86.045","0.003","75.081","0.003","75.03","0.003","1496.65","0.09","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 Au Br5 N -","- C27 H39 Au Br5 N -","- C54 H78 Au2 Br10 N2 -","2","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0492","0.0365","","","0.0862","0.0937","","","","","","1.004","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085370","9.721","0.0004","10.3012","0.0006","13.5165","0.0006","106.499","0.004","94.23","0.004","114.563","0.005","1151.43","0.12","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H66 Au Cl7 N2 -","- C42 H66 Au Cl7 N2 -","- C42 H66 Au Cl7 N2 -","1","0.5","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0248","0.0243","","","0.0427","0.0428","","","","","","1.021","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085371","9.3466","0.0006","11.0834","0.0006","11.9542","0.0006","67.002","0.005","86.712","0.005","65.479","0.006","1028.97","0.12","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Au Br3 N2 -","- C40 H62 Au Br3 N2 -","- C40 H62 Au Br3 N2 -","1","0.5","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0265","0.0244","","","0.059","0.0603","","","","","","1.051","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085372","9.2352","0.0003","16.3289","0.0003","14.9569","0.0004","90","","104.577","0.003","90","","2182.91","0.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Au2 Br4 N2 -","- C40 H62 Au2 Br4 N2 -","- C80 H124 Au4 Br8 N4 -","2","0.5","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0611","0.0415","","","0.1155","0.1276","","","","","","1.081","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085373","9.2425","0.0004","14.1426","0.0009","16.4925","0.0007","90","","101.027","0.004","90","","2115.98","0.19","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Au Cl I2 N2 -","- C40 H62 Au Cl I2 N2 -","- C80 H124 Au2 Cl2 I4 N4 -","2","0.5","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0332","0.0252","","","0.0525","0.055","","","","","","1.092","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085374","13.1531","0.0002","16.7616","0.0002","13.3059","0.0002","90","","99.162","0.002","90","","2896.09","0.07","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Au I3 N -","- C27 H39 Au I3 N -","- C108 H156 Au4 I12 N4 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0353","0.0293","","","0.0668","0.07","","","","","","1.032","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085375","11.1986","0.0004","11.8358","0.0004","20.6855","0.0008","101.567","0.003","95.239","0.004","94.139","0.003","2663.31","0.17","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H40 Au Br Cl N -","- C27.5 H40 Au Br Cl N -","- C110 H160 Au4 Br4 Cl4 N4 -","4","2","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.0377","0.0263","","","0.0543","0.0587","","","","","","0.977","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085376","10.7915","0.0003","11.9264","0.0002","21.3965","0.0005","90","","92.475","0.002","90","","2751.24","0.11","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H40 Au Cl I N -","- C27.5 H40 Au Cl I N -","- C110 H160 Au4 Cl4 I4 N4 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","Mo-Kα","","0.031","0.0247","","","0.0515","0.0539","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085377","24.953","0.0017","20.3586","0.0014","36.369","0.003","90","","106.576","0.001","90","","17708","2","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C165 H237 Au6 N6 O4 -","- C165 H237 Au6 N6 O4 -","- C660 H948 Au24 N24 O16 -","4","1","","Romanov, Alexander S.; Bochmann, Manfred","Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes.","Organometallics","2015","34","11","2439","2454","10.1021/om501211p","","","0.71073","MoKα","","0.0466","0.0347","","","0.0901","0.0951","","","","","","1.04","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085378","15.9337","0.0004","21.4472","0.0006","18.7634","0.0004","90","","91.798","0.002","90","","6408.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H104 Li4 O9 -","- C68 H104 Li4 O9 -","- C272 H416 Li16 O36 -","4","0.5","","Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.","Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine","Organometallics","2015","34","11","2550","","10.1021/om501225g","","","0.71073","MoKα","","0.0815","0.0526","","","0.1139","0.1292","","","","","","1.018","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085379","11.315","0.0005","11.6395","0.0005","18.4418","0.0008","88.063","0.003","81.313","0.004","69.075","0.004","2242.06","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H74 Li2 Mg O5 -","- C44 H74 Li2 Mg O5 -","- C88 H148 Li4 Mg2 O10 -","2","1","","Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.","Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine","Organometallics","2015","34","11","2550","","10.1021/om501225g","","","1.54184","CuKα","","0.0842","0.064","","","0.1734","0.1883","","","","","","1.043","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085380","11.1354","0.0003","12.7861","0.0003","17.7097","0.0006","91.832","0.002","98.917","0.003","105.629","0.002","2391.69","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H78 Li2 Mg O5 Si2 -","- C44 H78 Li2 Mg O5 Si2 -","- C88 H156 Li4 Mg2 O10 Si4 -","2","1","","Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.","Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine","Organometallics","2015","34","11","2550","","10.1021/om501225g","","","0.71073","MoKα","","0.111","0.0786","","","0.2053","0.2336","","","","","","1.034","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085381","11.7525","0.0004","17.2189","0.0005","21.5342","0.0007","90","","100.468","0.003","90","","4285.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H70 Li2 Mg O4 -","- C42 H70 Li2 Mg O4 -","- C168 H280 Li8 Mg4 O16 -","4","0.5","","Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.","Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine","Organometallics","2015","34","11","2550","","10.1021/om501225g","","","0.71073","MoKα","","0.0703","0.0491","","","0.1105","0.1228","","","","","","1.029","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085382","16.4177","0.0014","12.3325","0.0008","20.0058","0.0015","90","","103.285","0.008","90","","3942.2","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Li2 Mg N2 O4 -","- C42 H56 Li2 Mg N2 O4 -","- C168 H224 Li8 Mg4 N8 O16 -","4","0.5","","Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.","Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine","Organometallics","2015","34","11","2550","","10.1021/om501225g","","","0.71073","MoKα","","0.0876","0.0606","","","0.148","0.1679","","","","","","1.032","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085383","9.3982","0.001","20.578","0.002","13.2708","0.0014","90","","90","","90","","2566.5","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","complex_2a","(tBu)2(OMe)4(POCOP)Ir(CO)(H)(Cl)","","- C19 H32 Cl Ir O7 P2 -","- C19 H32 Cl Ir O7 P2 -","- C76 H128 Cl4 Ir4 O28 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0297","0.0233","","","0.0475","0.0494","","","","","","1.088","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085384","9.2119","0.0014","17.394","0.003","27.774","0.005","90","","90","","90","","4450.3","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex_2b","(tBu)2(diol)2(POCOP)Ir(CO)(H)(Cl)","","- C39 H60 Cl Ir O15 P2 -","- C39 H60 Cl Ir O15 P2 -","- C156 H240 Cl4 Ir4 O60 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0405","0.0262","","","0.0422","0.0454","","","","","","1.025","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085385","8.7214","0.0007","12.58","0.0011","21.1323","0.0018","90","","101.316","0.004","90","","2273.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex_6a","(iPr)4(POCOP)Ir(CO)(H)(Cl)","","- C19 H32 Cl Ir O3 P2 -","- C19 H32 Cl Ir O3 P2 -","- C76 H128 Cl4 Ir4 O12 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0846","0.0471","","","0.0944","0.1079","","","","","","1.039","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085386","8.1769","0.0006","33.692","0.002","11.5909","0.0008","90","","107.356","0.003","90","","3047.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex_9","(COOMe)2(tBu)4(POCOP)Ir(CO)","","- C27 H43 Ir O7 P2 -","- C27 H43 Ir O7 P2 -","- C108 H172 Ir4 O28 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0324","0.026","","","0.0528","0.0553","","","","","","1.122","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085387","7.8402","0.0005","20.3459","0.0013","19.7129","0.0012","90","","91.33","0.003","90","","3143.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","Complex_10","(COOMe)2(iPr)4(POCOP)Ir(CO)(H)(Cl)","","- C24 H38 Cl3 Ir O7 P2 -","- C24 H38 Cl3 Ir O7 P2 -","- C96 H152 Cl12 Ir4 O28 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","x-ray","0.71073","MoKα","","0.0462","0.0312","","","0.063","0.0681","","","","","","1.074","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085388","8.3197","0.0009","26.391","0.003","12.5","0.0013","90","","91.365","0.005","90","","2743.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex_11","[(tBu)4(POCOP)Ir(CO)(H)]BF4","","- C23 H40 B F4 Ir O3 P2 -","- C23 H40 B F4 Ir O3 P2 -","- C92 H160 B4 F16 Ir4 O12 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0244","0.0185","","","0.0361","0.0382","","","","","","1.157","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085389","8.603","0.0006","12.1556","0.0009","12.7217","0.0009","98.823","0.003","93.861","0.004","105.923","0.003","1255.78","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","complex_12","[(iPr)4(POCOP)Ir(CO)(H)(H2O)]BF4","","- C19 H34 B F4 Ir O4 P2 -","- C19 H34 B F4 Ir O4 P2 -","- C38 H68 B2 F8 Ir2 O8 P4 -","2","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0201","0.0177","","","0.0413","0.042","","","","","","1.043","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085390","11.313","0.002","20.531","0.004","14.041","0.002","90","","105.506","0.008","90","","3142.6","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","complex_13","[(tBu)4(POCOP)Ir(CO)2(H)]BF4","","- C25 H42 B Cl2 F4 Ir O4 P2 -","- C25 H42 B Cl2 F4 Ir O4 P2 -","- C100 H168 B4 Cl8 F16 Ir4 O16 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0169","0.0147","","","0.036","0.0377","","","","","","1.089","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085391","10.6581","0.0002","35.7402","0.0006","30.3489","0.0005","90","","90","","90","","11560.6","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58.5 H42 N3 O15 Re3 S3 -","- C58.5 H42 N3 O15 Re3 S3 -","- C468 H336 N24 O120 Re24 S24 -","8","1","","Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.","Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization","Organometallics","2015","34","4","724","","10.1021/om501005n","","","0.71073","MoKα","","0.0534","0.0429","","","0.1052","0.1117","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085392","14.3173","0.0002","23.7212","0.0004","24.7775","0.0004","114.078","0.0015","103.601","0.0013","90.4509","0.0012","7416.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C254 H236 N29 O77 Re12 Se12 -","- C254 H236 N29 O77 Re12 Se12 -","- C254 H236 N29 O77 Re12 Se12 -","1","0.5","","Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.","Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization","Organometallics","2015","34","4","724","","10.1021/om501005n","","","0.71073","MoKα","","0.0616","0.0503","","","0.1202","0.1251","","","","","","1.101","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085393","9.903","0.003","11.156","0.003","16.309","0.004","90","","101.682","0.005","90","","1764.5","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1 in manuscript","","","- C30 H48 Br2 Li2 N8 -","- C30 H48 Br2 Li2 N8 -","- C60 H96 Br4 Li4 N16 -","2","0.5","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.0734","0.0529","","","0.1523","0.1661","","","","","","1.059","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085394","13.1261","0.0004","14.2984","0.0004","12.0267","0.0003","90","","103.119","0.0007","90","","2198.29","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2 in manuscript","","","- C19 H32 Br Li N4 O -","- C19 H32 Br Li N4 O -","- C76 H128 Br4 Li4 N16 O4 -","4","1","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.0498","0.0388","","","0.0903","0.0947","","","","","","1.067","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085395","11.4626","0.0006","14.2987","0.0008","14.8866","0.0009","90","","90","","90","","2439.9","0.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","3 in manuscript","","","- C19 H32 F6 Li N4 O P -","- C19 H32 F6 Li N4 O P -","- C76 H128 F24 Li4 N16 O4 P4 -","4","0.5","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.1096","0.0835","","","0.1465","0.1543","","","","","","1.212","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085396","21.441","0.0017","14.6684","0.0012","15.74","0.0013","90","","129.094","0.001","90","","3842","0.5","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","4 in manuscript","","","- C39 H56 Br Li N4 O2 -","- C39 H56 Br Li N4 O2 -","- C156 H224 Br4 Li4 N16 O8 -","4","1","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.0707","0.0466","","","0.1074","0.1177","","","","","","1.006","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085397","22.395","0.004","18.564","0.003","14.16","0.003","90","","128.579","0.005","90","","4602.1","1.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5 in manuscript","","","- C39 H56 Br2 Li2 N4 O2 -","- C43 H56 Br2 Li2 N4 O2 -","- C172 H224 Br8 Li8 N16 O8 -","4","0.5","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.1229","0.0685","","","0.1788","0.2129","","","","","","1.021","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085398","27.4777","0.0015","6.1664","0.0003","15.3962","0.0008","90","","117.242","0.001","90","","2319.4","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Lt-BuH2(PF6)2 in manuscript","","","- C15 H26 F12 N4 P2 -","- C15 H26 F12 N4 P2 -","- C60 H104 F48 N16 P8 -","4","0.5","","Brendel, Matthias; Wenz, Jan; Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter","Lithium Complexes of Neutral Bis-NHC Ligands","Organometallics","2015","34","3","669","","10.1021/om501229b","","","0.71073","MoKα","","0.0509","0.0416","","","0.1129","0.1192","","","","","","1.078","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085399","11.2112","0.0006","20.2644","0.0012","18.7389","0.0011","90","","90.88","0.001","90","","4256.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 B10 N3 O Si2 Y -","- C31 H54 B10 N3 O Si2 Y -","- C124 H216 B40 N12 O4 Si8 Y4 -","4","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0652","0.0399","","","0.0946","0.1025","","","","","","1.016","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085400","16.2393","0.0009","16.5283","0.0009","36.194","0.002","90","","90","","90","","9714.8","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H54 B10 N3 O Y -","- C33 H54 B10 N3 O Y -","- C264 H432 B80 N24 O8 Y8 -","8","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0865","0.044","","","0.1016","0.1132","","","","","","0.949","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085401","10.2428","0.0011","14.9154","0.0016","15.7149","0.0017","108.948","0.002","91.155","0.002","103.8","0.002","2192.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 B10 Dy N2 O2 S -","- C37 H53 B10 Dy N2 O2 S -","- C74 H106 B20 Dy2 N4 O4 S2 -","2","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0756","0.0727","","","0.2068","0.2077","","","","","","1.164","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085402","11.1235","0.0006","11.2597","0.0006","21.1798","0.0012","96.27","0.001","90.607","0.001","94.888","0.001","2626.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H136 B20 N10 Si4 Y2 -","- C80 H136 B20 N10 Si4 Y2 -","- C80 H136 B20 N10 Si4 Y2 -","1","0.5","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0538","0.0404","","","0.1079","0.1145","","","","","","1.065","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085403","10.929","0.003","16.087","0.005","17.851","0.005","68.458","0.005","83.103","0.006","73.034","0.005","2791.9","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H62 B10 N5 O2 Si2 Y -","- C42 H62 B10 N5 O2 Si2 Y -","- C84 H124 B20 N10 O4 Si4 Y2 -","2","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.1347","0.0738","","","0.1672","0.1886","","","","","","0.881","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085404","14.1614","0.0007","17.0899","0.0008","17.9197","0.0009","90","","90","","90","","4336.9","0.4","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C23 H30 Be N2 -","- C23 H30 Be N2 -","- C184 H240 Be8 N16 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.1086","0.0648","","","0.1408","0.1679","","","","","","1.127","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085405","11.5313","0.0003","13.2003","0.0003","14.7227","0.0003","90","","97.3672","0.0014","90","","2222.54","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Be2 N4 -","- C50 H62 Be2 N4 -","- C100 H124 Be4 N8 -","2","0.5","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.0596","0.0448","","","0.1186","0.1342","","","","","","1.054","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085406","14.1845","0.001","11.8476","0.0009","21.6545","0.0009","90","","95.128","0.004","90","","3624.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Be N4 -","- C42 H50 Be N4 -","- C168 H200 Be4 N16 -","4","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.1548","0.0655","","","0.1376","0.1747","","","","","","0.994","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085407","16.3955","0.0002","9.8663","0.0001","24.2461","0.0004","90","","109.04","0.0005","90","","3707.54","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Be N4 -","- C43 H52 Be N4 -","- C172 H208 Be4 N16 -","4","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.086","0.062","","","0.1525","0.1669","","","","","","1.06","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085408","54.55","0.002","8.2387","0.0007","15.8756","0.0012","90","","102.121","0.004","90","","6975.8","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 Be N4 -","- C41 H48 Be N4 -","- C328 H384 Be8 N32 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.1766","0.0769","","","0.1558","0.2029","","","","","","1.045","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085409","12.0112","0.0005","22.0746","0.0013","20.3751","0.0014","90","","91.52","0.005","90","","5400.4","0.5","101","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H71 O P S2 W -","- C61 H71 O P S2 W -","- C244 H284 O4 P4 S8 W4 -","4","1","","Mougel, Victor; Pucino, Margherita; Copéret, Christophe","Strongly σ Donating Thiophenoxide in Silica-Supported Tungsten Oxo Catalysts for Improved 1-Alkene Metathesis Efficiency","Organometallics","2015","34","3","551","","10.1021/om5013105","","","0.71073","MoKα","","0.1311","0.086","","","0.1459","0.1615","","","","","","1.118","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085410","27.271","0.004","13.1156","0.0003","17.822","0.002","90","","134.22","0.02","90","","4568.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H60 O S2 W -","- C53 H60 O S2 W -","- C212 H240 O4 S8 W4 -","4","1","","Mougel, Victor; Pucino, Margherita; Copéret, Christophe","Strongly σ Donating Thiophenoxide in Silica-Supported Tungsten Oxo Catalysts for Improved 1-Alkene Metathesis Efficiency","Organometallics","2015","34","3","551","","10.1021/om5013105","","","0.71073","MoKα","","0.1133","0.0714","","","0.1546","0.173","","","","","","1.091","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085411","7.26228","0.00016","12.0198","0.0003","16.8199","0.0004","90","","90.642","0.002","90","","1468.14","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br N2 Ni -","- C15 H19 Br N2 Ni -","- C60 H76 Br4 N8 Ni4 -","4","2","","Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni","Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand","Organometallics","2015","34","3","577","","10.1021/om500939s","","x-ray","0.71073","MoKα","","0.0322","0.0281","","","0.0627","0.0649","","","","","","1.056","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085412","11.99221","0.0002","16.0882","0.0002","15.8008","0.0003","90","","92.4415","0.0015","90","","3045.73","0.09","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 Ni -","- C15 H19 Br N2 Ni -","- C120 H152 Br8 N16 Ni8 -","8","2","","Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni","Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand","Organometallics","2015","34","3","577","","10.1021/om500939s","","x-ray","0.71073","MoKα","","0.0417","0.0275","","","0.0578","0.0632","","","","","","1.041","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085413","9.71","0.0003","15.5306","0.0003","9.8555","0.0002","90","","101.532","0.003","90","","1456.23","0.06","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N2 Ni -","- C14 H17 Cl N2 Ni -","- C56 H68 Cl4 N8 Ni4 -","4","1","","Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni","Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand","Organometallics","2015","34","3","577","","10.1021/om500939s","","x-ray","0.71073","MoKα","","0.0394","0.0278","","","0.0632","0.0695","","","","","","1.032","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085414","15.0664","0.0006","10.4389","0.0003","16.1744","0.0006","90","","117.292","0.005","90","","2260.68","0.17","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl N4 Ni -","- C23 H29 Cl N4 Ni -","- C92 H116 Cl4 N16 Ni4 -","4","1","","Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni","Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand","Organometallics","2015","34","3","577","","10.1021/om500939s","","x-ray","0.71073","MoKα","","0.035","0.0274","","","0.0667","0.072","","","","","","1.076","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085415","14.481","0.005","20.964","0.007","22.54","0.007","71.861","0.005","74.644","0.005","81.898","0.005","6258","4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H79 Cl N4 O Si3 Th -","- C28 H65 Cl N4 O Si3 Th -","- C168 H390 Cl6 N24 O6 Si18 Th6 -","6","3","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","","0.71073","MoKα","","0.1808","0.0838","","","0.1949","0.2306","","","","","","1.016","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085416","9.7217","0.0009","22.435","0.002","16.0507","0.0015","90","","97.547","0.004","90","","3470.4","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H57 I N4 Si3 Th -","- C24 H57 I N4 Si3 Th -","- C96 H228 I4 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","","0.71073","MoKα","","0.1155","0.0785","","","0.2","0.2214","","","","","","1.128","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085417","10.005","0.0004","23.2032","0.0008","16.5776","0.0006","90","","97.754","0.002","90","","3813.3","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H67 N5 Si3 Th -","- C28 H67 N5 Si3 Th -","- C112 H268 N20 Si12 Th4 -","4","1","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","x-ray","0.71073","MoKα","","0.0294","0.0254","","","0.0606","0.0624","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085418","13.9997","0.0003","21.9902","0.0005","20.9322","0.0005","90","","91.306","0.002","90","","6442.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H112 N8 Si6 Th2 -","- C48 H112 N8 Si6 Th2 -","- C192 H448 N32 Si24 Th8 -","4","1","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","x-ray","1.54184","CuKα","","0.0528","0.0514","","","0.1215","0.1221","","","","","","1.191","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085419","27.557","0.008","25.947","0.008","21.479","0.006","90","","128.242","0.005","90","","12062","6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H91 B N6 Si3 U -","- C52 H83 B N6 Si3 U -","- C416 H664 B8 N48 Si24 U8 -","8","1","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","","0.71073","MoKα","","0.1006","0.0753","","","0.1567","0.1675","","","","","","1.182","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085420","14.321","0.0003","22.3137","0.0004","20.5302","0.0004","90","","94.3624","0.0017","90","","6541.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H112 N8 O2 Si6 Th2 -","- C48 H112 N8 O2 Si6 Th2 -","- C192 H448 N32 O8 Si24 Th8 -","4","1","","Gardner, Benedict M.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Thorium Triamidoamine Complexes: Synthesis of an Unusual Dinuclear Tuck-in‒Tuck-over Thorium Metallacycle Featuring the Longest Known Thorium−σ-Alkyl Bond","Organometallics","2015","34","11","2386","","10.1021/om501177s","","x-ray","1.54184","CuKα","","0.0531","0.0455","","","0.1128","0.1184","","","","","","1.038","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4085421","11.1427","0.0014","15.582","0.002","18.49","0.002","90","","90","","90","","3210.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Fe N4 -","- C34 H50 Fe N4 -","- C136 H200 Fe4 N16 -","4","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.0657","0.0464","","","0.0947","0.1018","","","","","","0.982","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085422","11.2402","0.0011","17.8582","0.0018","14.9771","0.0014","90","","92.419","0.002","90","","3003.7","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Br Fe N4 -","- C28 H45 Br Fe N4 -","- C112 H180 Br4 Fe4 N16 -","4","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.0574","0.0359","","","0.0831","0.0908","","","","","","1.026","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085423","10.7661","0.0008","16.1628","0.0013","16.8683","0.0013","90","","90","","90","","2935.3","0.4","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Fe N4 -","- C30 H48 Fe N4 -","- C120 H192 Fe4 N16 -","4","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.0381","0.0296","","","0.0653","0.0682","","","","","","1.014","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085424","44.47","0.004","18.71","0.0018","37.836","0.006","90","","120.178","0.002","90","","27214","6","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 B F24 Fe N4 P2 -","- C60 H70 B F24 Fe N4 P2 -","- C960 H1120 B16 F384 Fe16 N64 P32 -","16","2","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.1572","0.0696","","","0.1676","0.218","","","","","","1.002","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085425","9.6648","0.0017","9.7127","0.0017","18.803","0.003","95.293","0.003","95.353","0.003","102.303","0.003","1705.6","0.5","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 Fe N4 -","- C37 H53 Fe N4 -","- C74 H106 Fe2 N8 -","2","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.1107","0.062","","","0.1485","0.173","","","","","","1.037","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085426","21.938","0.007","10.17","0.003","17.773","0.005","90","","110.049","0.004","90","","3725","1.9","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H56 N2 O2 Y -","- C39 H56 N2 O2 Y -","- C156 H224 N8 O8 Y4 -","4","1","","Li, Jianfeng; Huang, Hanmin; Wang, Fengxin; Cui, Chunming","Cyclopentadienyl Yttrium Ene-Diamido Complexes: Coupling of the Ene-Diamido Ligand with Isocyanate","Organometallics","2015","34","4","683","","10.1021/om501257r","","","0.71073","MoKα","","0.0401","0.0335","","","0.0699","0.0722","","","","","","1.007","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085427","11.859","0.005","15.809","0.007","19.598","0.008","108.427","0.007","98.172","0.004","90.564","0.007","3445","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H107 N4 O6 Y -","- C73 H107 N4 O6 Y -","- C146 H214 N8 O12 Y2 -","2","1","","Li, Jianfeng; Huang, Hanmin; Wang, Fengxin; Cui, Chunming","Cyclopentadienyl Yttrium Ene-Diamido Complexes: Coupling of the Ene-Diamido Ligand with Isocyanate","Organometallics","2015","34","4","683","","10.1021/om501257r","","","0.71073","MoKα","","0.0903","0.0605","","","0.1161","0.1317","","","","","","0.966","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085428","12.2412","0.0003","13.074","0.0003","20.0829","0.0005","105.704","0.001","93.758","0.001","116.307","0.001","2708.84","0.12","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C111 H172 Li4 N8 Si4 -","- C111 H172 Li4 N8 Si4 -","- C111 H172 Li4 N8 Si4 -","1","0.5","","Schwamm, Ryan J.; Coles, Martyn P.; Fitchett, Christopher M.","Group 1 Complexes of an (Amido-amino)silane and Their Use in the Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar = 2,6-i-Pr2C6H3)","Organometallics","2015","34","11","2500","","10.1021/om5012227","","x-ray","0.7107","MoKα","","0.0979","0.061","","","0.1404","0.1585","","","","","","0.98","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085429","11.3893","0.0004","12.2039","0.0004","16.516","0.0006","80.126","0.003","74.202","0.003","77.259","0.003","2139.28","0.13","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H73 N2 Na O4 Si -","- C42 H73 N2 Na O4 Si -","- C84 H146 N4 Na2 O8 Si2 -","2","1","","Schwamm, Ryan J.; Coles, Martyn P.; Fitchett, Christopher M.","Group 1 Complexes of an (Amido-amino)silane and Their Use in the Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar = 2,6-i-Pr2C6H3)","Organometallics","2015","34","11","2500","","10.1021/om5012227","","","0.71073","MoKα","","0.0589","0.0464","","","0.1149","0.1244","","","","","","1.013","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085430","16.6239","0.0003","17.1021","0.0004","17.7075","0.0004","84.9008","0.0019","83.8507","0.0018","76.4098","0.0019","4854.61","0.19","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C99 H139 K3 N6 Si3 -","- C99 H139 K3 N6 Si3 -","- C198 H278 K6 N12 Si6 -","2","1","","Schwamm, Ryan J.; Coles, Martyn P.; Fitchett, Christopher M.","Group 1 Complexes of an (Amido-amino)silane and Their Use in the Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar = 2,6-i-Pr2C6H3)","Organometallics","2015","34","11","2500","","10.1021/om5012227","","x-ray","1.54184","CuKα","","0.0761","0.0666","","","0.1844","0.195","","","","","","1.04","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085431","9.2487","0.0003","10.3251","0.0003","15.3742","0.0004","84.291","0.002","82.523","0.002","88.256","0.002","1448.21","0.07","278.87","0.1","278.87","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H41 Bi Cl2 N2 Si -","- C26 H41 Bi Cl2 N2 Si -","- C52 H82 Bi2 Cl4 N4 Si2 -","2","1","","Schwamm, Ryan J.; Coles, Martyn P.; Fitchett, Christopher M.","Group 1 Complexes of an (Amido-amino)silane and Their Use in the Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar = 2,6-i-Pr2C6H3)","Organometallics","2015","34","11","2500","","10.1021/om5012227","","x-ray","0.71073","MoKα","","0.0303","0.0282","","","0.0646","0.066","","","","","","1.056","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085432","11.366","0.002","13.229","0.003","18.298","0.003","88.474","0.004","89.275","0.003","72.197","0.003","2618.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H88 Mo N2 -","- C57 H88 Mo N2 -","- C114 H176 Mo2 N4 -","2","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand","Organometallics","2015","34","11","2110","","10.1021/om501213x","","","0.71073","MoKα","","0.0417","0.0359","","","0.0952","0.1001","","","","","","1.042","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085433","19.2637","0.0018","16.7591","0.0018","24.48","0.003","90","","90","","90","","7903.2","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H59 Cl2 N W -","- C41 H59 Cl2 N W -","- C328 H472 Cl16 N8 W8 -","8","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand","Organometallics","2015","34","11","2110","","10.1021/om501213x","","","0.71073","MoKα","","0.0823","0.0587","","","0.1315","0.1428","","","","","","1.103","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085434","10.535","0.006","11.698","0.011","26.32","0.03","90.11","0.13","91.55","0.07","103.46","0.11","3153","5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H52 Fe N3 Na Zn -","- C29 H52 Fe N3 Na Zn -","- C116 H208 Fe4 N12 Na4 Zn4 -","4","2","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71073","MoKα","","0.1669","0.0715","","","0.1155","0.145","","","","","","1.022","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085435","13.4467","0.0013","30.62","0.003","13.45","0.003","90","","94.393","0.017","90","","5521.6","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H94 Fe N6 Na2 Zn2 -","- C48 H94 Fe N6 Na2 Zn2 -","- C192 H376 Fe4 N24 Na8 Zn8 -","4","1","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71073","MoKα","","0.1354","0.0792","","","0.1146","0.1332","","","","","","1.183","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085436","10.6687","0.0007","11.16","0.0006","13.8524","0.0007","94.846","0.004","95.578","0.005","108.439","0.005","1545.58","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H53 Al Fe Li N O -","- C31 H53 Al Fe Li N O -","- C62 H106 Al2 Fe2 Li2 N2 O2 -","2","1","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71069","MoKα","","0.1149","0.0482","","","0.0645","0.0731","","","","","","0.797","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085437","16.3217","0.0008","14.7125","0.0004","22.5707","0.0012","90","","98.785","0.01","90","","5356.4","0.4","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H96 Al2 Fe Li2 N2 O2 -","- C52 H96 Al2 Fe Li2 N2 O2 -","- C208 H384 Al8 Fe4 Li8 N8 O8 -","4","0.5","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71073","MoKα","","0.0376","0.0299","","","0.0847","0.0864","","","","","","1.103","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085438","22.5681","0.0017","17.2275","0.0012","16.379","0.0014","90","","94.583","0.007","90","","6347.7","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H118 Al2 Fe Li2 N4 -","- C62.003 H118 Al2 Fe Li2 N4 -","- C248.012 H472 Al8 Fe4 Li8 N16 -","4","1","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71073","MoKα","","0.1124","0.0592","","","0.0872","0.1089","","","","","","0.985","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085439","7.6818","0.0003","15.2296","0.0006","18.2806","0.0007","90","","90","","90","","2138.66","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H27 O P Zr -","- C25 H27 O P Zr -","- C100 H108 O4 P4 Zr4 -","4","0.5","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0433","0.0413","","","0.0908","0.0925","","","","","","1.157","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085440","8.3185","0.0001","11.9394","0.0002","14.0217","0.0002","110.475","0.001","100.991","0.001","103.978","0.001","1206.62","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 O P Zr -","- C27 H31 O P Zr -","- C54 H62 O2 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0322","0.0306","","","0.0756","0.0771","","","","","","1.05","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085441","11.012","0.0001","12.0736","0.0002","17.1632","0.0003","104.845","0.001","98.118","0.001","98.551","0.001","2142.52","0.06","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H48 B2 F40 O2 P2 Zr2 -","- C96 H48 B2 F40 O2 P2 Zr2 -","- C96 H48 B2 F40 O2 P2 Zr2 -","1","0.5","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0442","0.0397","","","0.1022","0.1066","","","","","","1.057","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085442","11.3015","0.0002","12.2577","0.0003","17.6293","0.0003","105.47","0.001","94.737","0.001","98.148","0.001","2311.33","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H28 B F20 O P Zr -","- C50 H28 B F20 O P Zr -","- C100 H56 B2 F40 O2 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0446","0.0399","","","0.0936","0.0973","","","","","","1.06","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085443","11.3544","0.0001","13.5157","0.0001","36.5585","0.0004","90","","90","","90","","5610.36","0.09","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H36 B F20 O2 P Zr -","- C63 H36 B F20 O2 P Zr -","- C252 H144 B4 F80 O8 P4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0587","0.0479","","","0.0913","0.0983","","","","","","1.13","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085444","19.8948","0.0003","16.1819","0.0002","17.3923","0.0002","90","","112.264","0.001","90","","5181.77","0.12","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H34 B F20 O2 P Zr -","- C57 H34 B F20 O2 P Zr -","- C228 H136 B4 F80 O8 P4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0779","0.0575","","","0.1053","0.1167","","","","","","1.103","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085445","10.7594","0.0002","15.3845","0.0003","15.5982","0.0004","117.093","0.001","90.709","0.001","90.033","0.001","2298.39","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H28 B F20 O2 P Zr -","- C50 H28 B F20 O2 P Zr -","- C100 H56 B2 F40 O4 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.1069","0.0758","","","0.1411","0.1601","","","","","","1.075","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085446","9.836","0.0003","30.315","0.0009","19.082","0.0004","90","","102.109","0.0017","90","","5563.2","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H64 B3 Cl O16 Th -","- C59 H64 B3 Cl O16 Th -","- C236 H256 B12 Cl4 O64 Th4 -","4","1","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0836","0.049","","","0.1059","0.1178","","","","","","1.068","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085447","18.084","0.004","16.927","0.003","16.852","0.003","90","","90","","90","","5158.5","1.7","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Moris-118 (Eyal)","","","- C55 H48 B3 O15 Sm -","- C55 H48 B3 O15 Sm -","- C220 H192 B12 O60 Sm4 -","4","0.5","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0597","0.0383","","","0.0794","0.0843","","","","","","1.058","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085448","12.727","0.002","23.121","0.005","15.743","0.003","90","","98.73","0.02","90","","4578.9","1.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Moris-121 (Eyal)","","","- C48 H48 B3 Nd O15 -","- C48 H48 B3 Nd O15 -","- C192 H192 B12 Nd4 O60 -","4","1","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0934","0.0517","","","0.1258","0.1409","","","","","","1.047","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085449","16.608","0.0006","26.344","0.0014","13.745","0.0012","90","","94.137","0.004","90","","5998.1","0.7","230","0.1","230","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zrboron","","","- C249 H252 B12 O60 Zr4 -","- C249 H252 B12 O60 Zr4 -","- C249 H252 B12 O60 Zr4 -","1","0.25","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.1138","0.0512","","","0.1182","0.1294","","","","","","0.873","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085450","9.63","0.0001","20.984","0.0003","24.149","0.0004","90","","97.116","0.0008","90","","4842.34","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 B3 O14 U -","- C54 H55 B3 O14 U -","- C216 H220 B12 O56 U4 -","4","1","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0641","0.0381","","","0.0803","0.0904","","","","","","0.985","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085451","10.47","0.002","9.656","0.002","13.236","0.003","90","","119.31","0.03","90","","1166.8","0.5","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris-108 (Eyal)","","","- C6 H5 B Cl4 O2 Zr -","- C6 H5 B Cl4 O2 Zr -","- C24 H20 B4 Cl16 O8 Zr4 -","4","1","","Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.","Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes","Organometallics","2015","34","4","742","","10.1021/om501103v","","","0.71073","MoKα","","0.0724","0.0383","","","0.0732","0.0804","","","","","","0.982","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085452","9.2423","0.0006","9.779","0.0007","13.6276","0.0009","82.98","0.001","71.653","0.001","82.6","0.001","1154.95","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl-diphenylphosphinephen-diyl-ethoxymethylene-chromium","","- C26 H19 Cr N O6 -","- C26 H19 Cr N O6 -","- C52 H38 Cr2 N2 O12 -","2","1","","Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon","Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine","Organometallics","2015","34","4","696","","10.1021/om5008538","","","0.71073","MoKα","","0.0457","0.0369","","","0.0889","0.0929","","","","","","1.053","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085453","51.9931","0.0016","6.41","0.0002","15.657","0.0005","90","","95.9361","0.0012","90","","5190.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Pentacarbonyl-(ethoxy-(4-di(4-bromophenyl)amino-phenyl)-methylidene)- tungsten","","- C26 H17 Br2 N O6 W -","- C26 H17 Br2 N O6 W -","- C208 H136 Br16 N8 O48 W8 -","8","1","","Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon","Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine","Organometallics","2015","34","4","696","","10.1021/om5008538","","","0.71073","MoKα","","0.0375","0.0288","","","0.0719","0.0767","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085454","19.5309","0.0013","22.5776","0.0015","7.9946","0.0005","90","","90.262","0.002","90","","3525.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Decacarbonyl-μ-(4-bromophenyl-di-(4-(ethoxy-methylidene)-phenyl)-amino)- di-tungsten","","- C34 H22 Br N O12 W2 -","- C34 H22 Br N O12 W2 -","- C136 H88 Br4 N4 O48 W8 -","4","1","","Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon","Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine","Organometallics","2015","34","4","696","","10.1021/om5008538","","","0.71073","MoKα","","0.0493","0.0377","","","0.0784","0.0829","","","","","","1.104","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085455","40.3819","0.0018","7.6045","0.0003","13.7313","0.0006","90","","93.651","0.003","90","","4208.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pentacarbonyl-(ethoxy-(5-(di-2-furylphosphine)fur-2-yl)-methylidene)- tungsten","","- C20 H13 O9 P W -","- C20 H13 O9 P W -","- C160 H104 O72 P8 W8 -","8","1","","Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon","Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine","Organometallics","2015","34","4","696","","10.1021/om5008538","","","0.71073","MoKα","","0.0342","0.0231","","","0.0506","0.0541","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085456","12.209","0.003","10.307","0.003","37.771","0.011","90","","97.669","0.005","90","","4711","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Bis(5-pentacarbonyltungsten-ethoxy-carbenyl-furan-2-yl- bisfuran-2-yl-phosphenyl)-dichloro-platinum(ii)","","- C40 H26 Cl2 O18 P2 Pt W2 -","- C40 H26 Cl2 O18 P2 Pt W2 -","- C160 H104 Cl8 O72 P8 Pt4 W8 -","4","1","","Weststrate, Nora-ann; Fernández, Israel; Liles, David C.; van Jaarsveld, Nina; Lotz, Simon","Fischer-Type Carbene Complexes of Tris(1,4-phenylene)amines and Tri(2-furyl)phosphine","Organometallics","2015","34","4","696","","10.1021/om5008538","","","0.71073","MoKα","","0.0667","0.0385","","","0.0714","0.079","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4085457","13.6093","0.001","15.4875","0.0011","16.3073","0.0012","90","","90","","90","","3437.2","0.4","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Cl4 P2 Ru Si -","- C31 H48 Cl4 P2 Ru Si -","- C124 H192 Cl16 P8 Ru4 Si4 -","4","1","","Bernal, María J.; Martín, Marta; Sola, Eduardo","Allenyl to Alkenylcarbyne Tautomerization at the Ru‒Si Bond of Ru(κP,P,Si) Pincer Complexes","Organometallics","2015","34","4","800","","10.1021/om501238d","","","0.71073","MoKα","","0.0467","0.0301","","","0.0482","0.0515","","","","","","0.912","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085458","9.8915","0.0007","11.276","0.0008","18.3524","0.0013","84.372","0.001","84.239","0.001","68.674","0.001","1893","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H50 Cl6 P2 Ru Si -","- C32 H50 Cl6 P2 Ru Si -","- C64 H100 Cl12 P4 Ru2 Si2 -","2","1","","Bernal, María J.; Martín, Marta; Sola, Eduardo","Allenyl to Alkenylcarbyne Tautomerization at the Ru‒Si Bond of Ru(κP,P,Si) Pincer Complexes","Organometallics","2015","34","4","800","","10.1021/om501238d","","","0.71073","MoKα","","0.0441","0.0334","","","0.0805","0.0845","","","","","","0.942","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085459","8.0203","0.0003","13.1933","0.0007","17.3828","0.0009","79.042","0.004","81.03","0.003","72.313","0.002","1710.95","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl4 Co2 N8 -","- C24 H48 Cl4 Co2 N8 -","- C48 H96 Cl8 Co4 N16 -","2","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","Dimeric Complexes of CoIII(cyclam) with a Polyynediyl Bridge","Organometallics","2015","34","4","686","","10.1021/om501272p","","","0.71073","MoKα","","0.096","0.0582","","","0.1176","0.1294","","","","","","1.031","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085460","10.7889","0.0006","14.3914","0.0009","15.047","0.0009","63.56","0.003","73.33","0.003","75.371","0.003","1982.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Cl4 Co2 N8 O4 -","- C30 H64 Cl4 Co2 N8 O4 -","- C60 H128 Cl8 Co4 N16 O8 -","2","1","","Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong","Dimeric Complexes of CoIII(cyclam) with a Polyynediyl Bridge","Organometallics","2015","34","4","686","","10.1021/om501272p","","","0.71073","MoKα","","0.077","0.0531","","","0.1448","0.1562","","","","","","1.061","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085461","10.505","0.003","16.422","0.004","10.768","0.003","90","","111.171","0.014","90","","1732.2","0.8","173","2","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H33 Fe N O3 P2 -","- C41 H33 Fe N O3 P2 -","- C82 H66 Fe2 N2 O6 P4 -","2","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","x-ray","0.71073","MoKα","","0.0478","0.0376","","","0.0752","0.0795","","","","","","1.004","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085462","10.342","0.002","19.477","0.004","21.417","0.005","90","","95.781","0.007","90","","4292.1","1.6","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Cl4 Fe O3 P3 -","- C44 H43 Cl4 Fe O3 P3 -","- C176 H172 Cl16 Fe4 O12 P12 -","4","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","x-ray","0.71073","MoKα","","0.0837","0.0463","","","0.095","0.1096","","","","","","1.034","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085463","43.471","0.003","11.9162","0.0006","17.6349","0.0011","90","","90.34","0.003","90","","9134.9","1","102","2","102","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 Cl2 F6 Fe O12 P2 S2 -","- C43 H34 Cl2 F6 Fe O10 P2 S2 -","- C344 H272 Cl16 F48 Fe8 O80 P16 S16 -","8","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","","0.71073","MoKα","","0.0664","0.0502","","","0.1358","0.1456","","","","","","1.025","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085464","14.2468","0.0009","23.919","0.0014","15.9804","0.001","90","","110.41","0.003","90","","5103.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Fe N2 O4 P2 S -","- C44 H42 Fe N2 O4 P2 S -","- C176 H168 Fe4 N8 O16 P8 S4 -","4","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","","0.71073","MoKα","","0.0521","0.0373","","","0.0891","0.0959","","","","","","1.044","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085465","9.9856","0.0014","19.973","0.003","22.134","0.003","90","","97.529","0.002","90","","4376.4","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Fe O4 P2 Si -","- C52 H42 Fe O4 P2 Si -","- C208 H168 Fe4 O16 P8 Si4 -","4","1","","Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.","Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides","Organometallics","2015","34","9","1619","","10.1021/om501152h","","","0.71073","MoKα","","0.0427","0.0339","","","0.084","0.0888","","","","","","1.028","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085469","12.8513","0.00007","27.5563","0.00018","19.6614","0.00012","90","","90.0514","0.0005","90","","6962.77","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sn(C(Ph)C(Ph)(B(L)))2","","- C80 H92 B2 N4 Sn -","- C80 H92 B2 N4 Sn -","- C320 H368 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","1.54184","CuKα","","0.042","0.0353","","0.0449","0.0427","0.0421","","","","","","1.2782","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085470","9.4466","0.0003","16.5433","0.0006","18.3415","0.0006","81.69","0.003","76.404","0.003","77.944","0.003","2710.83","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn(C(Ph)C(H)B(L))(N(SiMe3)(Dipp))","","- C54.25 H79.38 B N3 Si Sn -","- C54.25 H79.375 B N3 Si Sn -","- C108.5 H158.75 B2 N6 Si2 Sn2 -","2","1","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","1.54184","CuKα","","0.0288","0.0272","","0.0053","0.0052","0.0052","","","","","","1.1758","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085471","12.01113","0.00011","14.37422","0.0001","14.20295","0.00011","90","","111.466","0.0009","90","","2282.05","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{Sn(N(Dipp)SiMe3)(CCPh)}2","","- C46 H62 N2 Si2 Sn2 -","- C46 H62 N2 Si2 Sn2 -","- C92 H124 N4 Si4 Sn4 -","2","0.5","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","1.54184","CuKα","","0.0195","0.0188","","0.0184","0.0183","0.0182","","","","","","1.0565","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085472","9.7028","0.0002","13.8881","0.0003","18.1686","0.0004","89.963","0.002","78.387","0.002","72.571","0.002","2283.4","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 B Ge N3 Si2 -","- C46 H64 B Ge N3 Si2 -","- C92 H128 B2 Ge2 N6 Si4 -","2","1","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","1.5418","CuKα","","0.0352","0.0312","","0.0205","0.0193","0.019","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085473","9.9961","0.0003","12.1873","0.0004","17.8179","0.0005","101.382","0.003","91.531","0.002","113.17","0.003","1943.18","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H59 N Si6 -","- C32 H59 N Si6 -","- C64 H118 N2 Si12 -","2","1","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","1.54184","CuKα","","0.0472","0.0445","","0.0286","0.0278","0.0276","","","","","","1.1106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085474","9.9278","0.0001","11.8017","0.0001","18.746","0.0003","98.3341","0.0005","92.6338","0.0005","96.0275","0.0006","2156.98","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","(PhCCPh)Si(NDipp)(SiMe3)Si(SiMe3)3","","- C38 H63 N Si6 -","- C38 H63 N Si6 -","- C76 H126 N2 Si12 -","2","1","","Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry","Organometallics","2015","34","11","2126","","10.1021/om501252m","","","0.71073","MoKα","","0.1125","0.0539","","0.1067","0.049","0.0437","","","","","","1.1397","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085475","15.5305","0.0008","15.685","0.0008","18.5811","0.001","77.29","0.003","73.985","0.003","89.962","0.003","4235.3","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Ge N2 -","- C10 H14 Ge N2 -","- C160 H224 Ge16 N32 -","16","8","","Krupski, Sergei; Schulte to Brinke, Christian; Koppetz, Hannah; Hepp, Alexander; Hahn, F. Ekkehardt","Protic N-Heterocyclic Germylenes and Stannylenes: Synthesis and Reactivity","Organometallics","2015","34","11","2624","","10.1021/om5012616","","","0.71073","MoKα","","0.0926","0.0553","","","0.1335","0.1489","","","","","","1.033","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085476","9.4975","0.0002","12.3583","0.0003","12.6182","0.0003","72.831","0.001","68.39","0.001","69.731","0.001","1267.6","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O Sn2 -","- C24 H36 N4 O Sn2 -","- C48 H72 N8 O2 Sn4 -","2","1","","Krupski, Sergei; Schulte to Brinke, Christian; Koppetz, Hannah; Hepp, Alexander; Hahn, F. Ekkehardt","Protic N-Heterocyclic Germylenes and Stannylenes: Synthesis and Reactivity","Organometallics","2015","34","11","2624","","10.1021/om5012616","","","0.71073","MoKα","","0.0155","0.0146","","","0.0377","0.0383","","","","","","1.059","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085477","8.6146","0.0003","12.5729","0.0004","18.9466","0.0005","90","","93.006","0.002","90","","2049.29","0.11","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Ge2 N4 Na2 O4 -","- C36 H58 Ge2 N4 Na2 O4 -","- C72 H116 Ge4 N8 Na4 O8 -","2","0.5","","Krupski, Sergei; Schulte to Brinke, Christian; Koppetz, Hannah; Hepp, Alexander; Hahn, F. Ekkehardt","Protic N-Heterocyclic Germylenes and Stannylenes: Synthesis and Reactivity","Organometallics","2015","34","11","2624","","10.1021/om5012616","","","0.71073","MoKα","","0.071","0.0413","","","0.1173","0.1429","","","","","","1.123","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085478","12.825","0.003","17.213","0.003","21.406","0.004","100.16","0.03","98.01","0.03","90.75","0.03","4602.6","1.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H48 B Cl2 F48 O P2 Rh -","- C91 H48 B Cl2 F48 O P2 Rh -","- C182 H96 B2 Cl4 F96 O2 P4 Rh2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","0.71073","MoKα","","0.0757","0.0564","","","0.1407","0.1538","","","","","","1.019","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085479","9.9844","0.0002","11.9608","0.0002","18.0342","0.0003","90","","90","","77.3145","0.0008","2101.1","0.07","150","","150","","","","","","","","","6","P 1 1 21","P 2c","4","","Compound 5","","- C51 H46 Cl O P2 Rh -","- C51 H46 Cl O P2 Rh -","- C102 H92 Cl2 O2 P4 Rh2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","0.71073","MoKα","","0.0568","0.0474","","0.1247","0.1193","0.1247","","","","","","0.9513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085480","13.7157","0.0002","14.8773","0.0002","19.8016","0.00029","92.0677","0.0006","94.1593","0.0006","104.891","0.0007","3888.31","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound 6","","","- C85 H54 B F24 O P2 Rh -","- C85 H54 B F24 O P2 Rh -","- C170 H108 B2 F48 O2 P4 Rh2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","0.71073","MoKα","","0.1124","0.0607","","","0.1561","0.2212","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085481","12.7495","0.0003","18.6412","0.0004","19.2796","0.0003","107.453","0.0017","99.9664","0.0017","97.876","0.0019","4217.25","0.16","150","","150","","","","","","","","S10, CRL,University of Oxford","8","P -1","-P 1","2","","Compound 7","","- C86 H56 B Cl2 F24 O P2 Rh -","- C86 H56 B Cl2 F24 O P2 Rh -","- C172 H112 B2 Cl4 F48 O2 P4 Rh2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0748","0.0718","","0.2072","0.2038","0.2072","","","","","","0.9953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085482","14.88","0.003","21.13","0.004","28.21","0.006","101.37","0.03","97.82","0.03","99.64","0.03","8441","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Compound 8","","","- C168 H122 B2 F49 O4 P4 Rh2 S2 -","- C168 H122 B2 F49 O4 P4 Rh2 S2 -","- C336 H244 B4 F98 O8 P8 Rh4 S4 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","0.71073","MoKα","","0.0993","0.0665","","","0.1596","0.1779","","","","","","1.019","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085483","21.9983","0.0002","24.7598","0.0002","14.206","0.0001","90","","91.0396","0.0009","90","","7736.36","0.11","150","","150","","","","","","","","S10, CRL, University of Oxford","9","C 1 2/m 1","-C 2y","12","","Compound 10'","","- C78 H51 B F24 N O3 P2 Rh S -","- C78 H51 B F24 N O3 P2 Rh S -","- C312 H204 B4 F96 N4 O12 P8 Rh4 S4 -","4","0.5","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0388","0.0374","","0.0944","0.0936","0.0944","","","","","","1.0278","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085484","22.0601","0.0002","24.9467","0.0002","14.0763","0.0002","90","","90.2181","0.0011","90","","7746.51","0.14","150","","150","","","","","","","","S10, CRL, University of Oxford","9","C 1 2/m 1","-C 2y","12","","Compound 11","","- C83.4 H63 B F24.4 N O2 P2 Rh S -","- C83.4 H63 B F24.4 N O2 P2 Rh S -","- C333.6 H252 B4 F97.6 N4 O8 P8 Rh4 S4 -","4","0.5","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0698","0.0662","","0.1809","0.1755","0.1808","","","","","","0.9918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085485","16.2747","0.0004","16.9342","0.0004","16.9604","0.0005","74.722","0.002","80.424","0.002","87.532","0.002","4446.2","0.2","150","","150","","","","","","","","S10, CRL, University of Oxford","9","P -1","-P 1","2","","[Rh(Xantphos)(SMe)(C6H4(C5H4N))][BArF4]","","- C83 H55 B F24 N O P2 Rh S -","- C83 H55 B F23.9997 N O P2 Rh S -","- C166 H110 B2 F47.9994 N2 O2 P4 Rh2 S2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0869","0.0776","","0.2189","0.2119","0.2189","","","","","","0.9835","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085486","12.5123","0.0003","16.2848","0.0004","19.86","0.0006","93.648","0.002","108.082","0.002","97.3064","0.0019","3792.71","0.18","150","","150","","","","","","","","S10, CRL, University of Oxford","9","P -1","-P 1","2","","Compound 13","","- C81 H56 B Cl2 F24 O P2 Rh S -","- C81 H56 B Cl2 F24 O P2 Rh S -","- C162 H112 B2 Cl4 F48 O2 P4 Rh2 S2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0521","0.0473","","0.1264","0.1215","0.1264","","","","","","0.9817","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085487","16.0282","0.0004","17.0414","0.0005","17.8413","0.0005","105.052","0.002","109.735","0.002","109.714","0.003","3915.6","0.3","150","","150","","","","","","","","S10, CRL, Uni Oxford","9","P -1","-P 1","2","","Compound 14?","","- C86 H59 B Cl F24 O2 P2 Rh S -","- C86 H59 B Cl F24 O2 P2 Rh S -","- C172 H118 B2 Cl2 F48 O4 P4 Rh2 S2 -","2","1","","Ren, Peng; Pike, Sebastian D.; Pernik, Indrek; Weller, Andrew S.; Willis, Michael C.","Rh‒POP Pincer Xantphos Complexes for C‒S and C‒H Activation. Implications for Carbothiolation Catalysis","Organometallics","2015","34","4","711","","10.1021/om500984y","","","1.5418","CuKα","","0.0446","0.0413","","0.1097","0.1061","0.1097","","","","","","1.0029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085488","13.356","0.0003","17.4416","0.0002","20.6267","0.0004","90","","91.014","0.001","90","","4804.24","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H69 Mg N5 O -","- C52 H69 Mg N5 O -","- C208 H276 Mg4 N20 O4 -","4","1","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.1001","0.052","","","0.1314","0.1603","","","","","","1.031","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085489","11.4752","0.0001","20.0367","0.0002","20.6247","0.0002","90","","90","","90","","4742.14","0.08","150","2","150","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C48 H69 Mg N5 O -","- C48 H69 Mg N5 O -","- C192 H276 Mg4 N20 O4 -","4","1","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.066","0.0435","","","0.0907","0.1003","","","","","","1.05","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085490","17.9823","0.0004","19.5182","0.0006","13.2619","0.0004","90","","129.804","0.001","90","","3575.91","0.18","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H57 Mg N3 O -","- C40 H57 Mg N3 O -","- C160 H228 Mg4 N12 O4 -","4","0.5","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.085","0.0492","","","0.1286","0.1523","","","","","","0.971","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085491","9.761","0.0001","11.527","0.0002","20.797","0.0004","96.877","0.001","93.202","0.001","92.212","0.001","2317.09","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H63 Mg N5 O -","- C51 H63 Mg N5 O -","- C102 H126 Mg2 N10 O2 -","2","1","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.083","0.0519","","","0.1135","0.1292","","","","","","1.038","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085492","12.3522","0.0001","29.625","0.0003","23.9944","0.0002","90","","96.104","0.001","90","","8730.58","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H128 Mg2 N8 O2 -","- C98 H128 Mg2 N8 O2 -","- C392 H512 Mg8 N32 O8 -","4","1","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.0976","0.0521","","","0.1136","0.1315","","","","","","1.016","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085493","10.594","0.001","14.89","0.001","15.403","0.001","63.156","0.005","86.6","0.005","78.347","0.005","2121.8","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","Compound 3","","","- C43 H66 Cl2 Cr N2 O2 -","- C43 H66 Cl2 Cr N2 O2 -","- C86 H132 Cl4 Cr2 N4 O4 -","2","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.0796","0.0443","","","0.0916","0.1005","","","","","","0.94","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085494","25.217","0.0013","9.984","0.0009","27.87","0.002","90","","116.482","0.007","90","","6280.5","0.9","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 4","","","- C66 H90 Cr2 N4 -","- C66 H90 Cr2 N4 -","- C264 H360 Cr8 N16 -","4","0.5","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.1493","0.0642","","","0.1257","0.1477","","","","","","0.856","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085495","14.618","0.0011","13.33","0.0011","16.947","0.0013","90","","113.198","0.006","90","","3035.3","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 5","","","- C33 H46 Cr N2 -","- C33 H46 Cr N2 -","- C132 H184 Cr4 N8 -","4","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.1471","0.0846","","","0.208","0.2321","","","","","","0.948","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085496","13.236","0.0008","11.443","0.0007","21.38","0.0013","90","","90.678","0.005","90","","3238","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 6","","","- C33 H45 Cl2 Cr N2 O2 -","- C33 H45 Cl2 Cr N2 O2 -","- C132 H180 Cl8 Cr4 N8 O8 -","4","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.0834","0.0611","","","0.1615","0.1685","","","","","","1.082","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085497","15.425","0.001","13.013","0.001","22.356","0.002","90","0","90","0","90","0","4487.4","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 7","","","- C26 H32 Cr N2 -","- C26 H32 Cr N2 -","- C208 H256 Cr8 N16 -","8","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.1821","0.0454","","","0.0881","0.1073","","","","","","0.507","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085498","10.4779","0.0008","11.8984","0.0008","13.6997","0.0009","65.129","0.005","89.534","0.006","69.427","0.005","1431","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","Compound 9","","","- C65 H77 Cr2 I N4 -","- C65 H77 Cr2 I N4 -","- C65 H77 Cr2 I N4 -","1","0.5","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71073","MoKα","","0.1391","0.0595","","","0.1026","0.1205","","","","","","0.795","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085499","21.476","0.012","11.704","0.006","22.069","0.012","90","","94.813","0.008","90","","5528","5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2","","","- C54 H89 Cl3 N4 W -","- C54 H89 Cl3 N4 W -","- C216 H356 Cl12 N16 W4 -","4","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1584","0.1067","","","0.2629","0.3146","","","","","","1.059","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085500","15.204","0.0013","15.2708","0.0012","17.0338","0.0015","90","","114.191","0.003","90","","3607.6","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C82 H90 Cl4 N4 O2 W2 -","- C82 H90 Cl4 N4 O2 W2 -","- C164 H180 Cl8 N8 O4 W4 -","2","0.5","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.0725","0.0653","","","0.1483","0.1557","","","","","","1.209","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085501","10.731","0.01","12.859","0.011","16.229","0.015","87.35","0.02","82.939","0.018","87.39","0.03","2218","3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","4","","","- C48 H64 Cl2 N2 O2 W -","- C48 H64 Cl2 N2 O2 W -","- C96 H128 Cl4 N4 O4 W2 -","2","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.0754","0.061","","","0.1402","0.1533","","","","","","1.08","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085502","21.026","0.007","13.208","0.005","32.424","0.011","90","","90","","90","","9005","5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C52 H67 N3 W -","- C52 H67 N3 W -","- C416 H536 N24 W8 -","8","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1038","0.0986","","","0.2269","0.2322","","","","","","1.238","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085503","12.372","0.004","12.36","0.004","35.044","0.011","90","","93.881","0.004","90","","5347","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6","","","- C53 H70 N3 P W -","- C53 H70 N3 P W -","- C212 H280 N12 P4 W4 -","4","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1049","0.0877","","","0.2145","0.2304","","","","","","1.198","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085504","12.285","0.006","18.687","0.009","19.769","0.01","90","","95.995","0.005","90","","4514","4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7","","","- C46 H59 Cl4 N3 W -","- C46 H59 Cl4 N3 W -","- C184 H236 Cl16 N12 W4 -","4","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1179","0.1045","","","0.1853","0.1932","","","","","","1.251","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085505","12.7709","0.0006","19.5707","0.0008","19.8524","0.0009","90","","103.811","0.0016","90","","4818.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8","","","- C58 H68 N2 O W -","- C58 H68 N2 O W -","- C232 H272 N8 O4 W4 -","4","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.0471","0.0413","","","0.0868","0.0908","","","","","","1.104","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085506","10.0754","0.0002","15.4637","0.0002","21.0465","0.0003","90","","93.894","0.002","90","","3271.54","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Li O2 Zn -","- C33.936 H51 Li O1.992 Zn -","- C135.744 H204 Li4 O7.968 Zn4 -","4","1","","Hernán-Gómez, Alberto; Herd, Emma; Uzelac, Marina; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Arom\?í, Guillem; Hevia, Eva","Zincate-Mediated Arylation Reactions of Acridine: Pre- and Postarylation Structural Insights","Organometallics","2015","34","11","2614","","10.1021/om501251q","","","1.5418","CuKα","","0.0589","0.0519","","","0.1392","0.1443","","","","","","1.069","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085507","11.2576","0.0014","13.2749","0.0015","20.827","0.004","90","","121.455","0.011","90","","2655.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.46 H37 Li N1.54 O2.46 -","- C30.46 H37 Li N1.54 O2.46 -","- C121.84 H148 Li4 N6.16 O9.84 -","4","1","","Hernán-Gómez, Alberto; Herd, Emma; Uzelac, Marina; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Arom\?í, Guillem; Hevia, Eva","Zincate-Mediated Arylation Reactions of Acridine: Pre- and Postarylation Structural Insights","Organometallics","2015","34","11","2614","","10.1021/om501251q","","","1.5418","CuKα","","0.1054","0.0749","","","0.2147","0.2531","","","","","","1.024","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085508","15.3642","0.0004","10.9499","0.0002","11.3094","0.0003","90","","92.602","0.003","90","","1900.69","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N Zn -","- C25 H19 N Zn -","- C100 H76 N4 Zn4 -","4","1","","Hernán-Gómez, Alberto; Herd, Emma; Uzelac, Marina; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Arom\?í, Guillem; Hevia, Eva","Zincate-Mediated Arylation Reactions of Acridine: Pre- and Postarylation Structural Insights","Organometallics","2015","34","11","2614","","10.1021/om501251q","","","0.71073","MoKα","","0.0306","0.0256","","","0.0657","0.068","","","","","","1.061","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085509","23.5458","0.0017","12.2928","0.0006","22.9569","0.0015","90","","119.215","0.009","90","","5799.5","0.8","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Li N O3 -","- C31 H38 Li N O3 -","- C248 H304 Li8 N8 O24 -","8","1","","Hernán-Gómez, Alberto; Herd, Emma; Uzelac, Marina; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Arom\?í, Guillem; Hevia, Eva","Zincate-Mediated Arylation Reactions of Acridine: Pre- and Postarylation Structural Insights","Organometallics","2015","34","11","2614","","10.1021/om501251q","","x-ray","0.71073","MoKα","","0.1035","0.0602","","","0.1518","0.1759","","","","","","0.993","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085510","7.3059","0.0007","19.4204","0.0017","7.4875","0.0008","90","","117.912","0.007","90","","938.77","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl Fe Si -","- C10 H9 Cl Fe Si -","- C40 H36 Cl4 Fe4 Si4 -","4","1","","Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents","Organometallics","2015","34","5","897","","10.1021/om5012598","","","0.71073","MoKα","","0.1251","0.1008","","","0.2268","0.2405","","","","","","1.203","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085511","7.5071","0.0004","11.2684","0.0005","21.8034","0.0013","90","","90","","90","","1844.42","0.17","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe N Si3 -","- C16 H27 Fe N Si3 -","- C64 H108 Fe4 N4 Si12 -","4","1","","Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents","Organometallics","2015","34","5","897","","10.1021/om5012598","","","0.71073","MoKα","","0.1029","0.057","","","0.0906","0.1024","","","","","","0.992","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085512","8.993","0.007","12.953","0.009","21.509","0.016","90","","93.103","0.014","90","","2502","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Fe Si5 -","- C19 H36 Fe Si5 -","- C76 H144 Fe4 Si20 -","4","1","","Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents","Organometallics","2015","34","5","897","","10.1021/om5012598","","","0.71073","MoKα","","0.0362","0.0263","","","0.0619","0.0668","","","","","","1.051","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085513","10.946","0.004","11.935","0.004","14.097","0.005","101.745","0.007","107.631","0.006","101.754","0.007","1647.4","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 F6 Ir N4 O2 P -","- C32 H40 F6 Ir N4 O2 P -","- C64 H80 F12 Ir2 N8 O4 P2 -","2","1","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Mechanistic Insights into Transfer Hydrogenation Catalysis by [Ir(cod)(NHC)2]+Complexes with Functionalized N-Heterocyclic Carbene Ligands","Organometallics","2015","34","5","926","","10.1021/om5013083","","","0.71073","MoKα","","0.0664","0.054","","","0.1353","0.1435","","","","","","1.01","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085514","10.39","0.006","14.148","0.008","20.021","0.011","88.505","0.008","89.648","0.008","78.507","0.008","2883","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H36 Br Cl Ir N6 O0.5 -","- C28 H34 Br Ir N6 O0.5 -","- C112 H136 Br4 Ir4 N24 O2 -","4","2","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; García-Orduña, Pilar; Oro, Luis A.","Mechanistic Insights into Transfer Hydrogenation Catalysis by [Ir(cod)(NHC)2]+ Complexes with Functionalized N-Heterocyclic Carbene Ligands","Organometallics","2015","34","5","926","","10.1021/om5013083","","","0.71073","MoKα","","0.0885","0.0498","","","0.1081","0.1215","","","","","","0.879","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085515","12.1243","0.0009","19.5765","0.0015","15.7923","0.0012","90","","102.85","0.001","90","","3654.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 F6 Ir N6 O0.5 P -","- C36 H38 F6 Ir N6 P -","- C144 H152 F24 Ir4 N24 P4 -","4","1","","Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Mechanistic Insights into Transfer Hydrogenation Catalysis by [Ir(cod)(NHC)2]+Complexes with Functionalized N-Heterocyclic Carbene Ligands","Organometallics","2015","34","5","926","","10.1021/om5013083","","","0.71073","MoKα","","0.0281","0.0233","","","0.0549","0.0569","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085516","16.2526","0.0007","32.0839","0.0014","31.1888","0.0015","90","","114.868","0.004","90","","14755.4","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 F10 N8 O2 Zn2 -","- C70 H45.5 F10 N8 O2 Zn2 -","- C560 H364 F80 N64 O16 Zn16 -","8","2","","Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.","Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters","Organometallics","2015","34","11","2608","","10.1021/om501244n","","","0.71073","MoKα","","0.2083","0.1055","","","0.2624","0.3154","","","","","","0.963","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4085517","24.4911","0.0004","24.4911","0.0004","89.0912","0.0017","90","","90","","120","","46278.8","1.4","170","","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C86 H82 F10 N8 O4 Zn4 -","- C86 H82 F10 N8 O4 Zn4 -","- C1548 H1476 F180 N144 O72 Zn72 -","18","1","","Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.","Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters","Organometallics","2015","34","11","2608","","10.1021/om501244n","","","0.71073","MoKα","","0.0516","0.0435","","","0.1202","0.1267","","","","","","1.047","","","","has coordinates,has disorder","203907","2020-10-21","18:00:00",""
"4085518","16.5879","0.0005","19.525","0.0006","20.8445","0.0007","90","","94.577","0.003","90","","6729.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H40 F10 N8 O3 Zn4 -","- C62 H56 F10 N8 O3 Zn4 -","- C248 H224 F40 N32 O12 Zn16 -","4","1","","Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.","Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters","Organometallics","2015","34","11","2608","","10.1021/om501244n","","","0.71073","MoKα","","0.083","0.048","","","0.123","0.1403","","","","","","1.029","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085519","12.5794","0.0003","14.5209","0.0008","21.8649","0.001","104.772","0.004","99.895","0.003","102.885","0.004","3652.2","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H36 F9.98 N8 O5 Zn4 -","- C66 H36 F9.98 N8 O5 Zn4 -","- C132 H72 F19.96 N16 O10 Zn8 -","2","1","","Cadenbach, Thomas; Pankhurst, James R.; Hofmann, Tommy A.; Curcio, Massimiliano; Arnold, Polly L.; Love, Jason B.","Macrocyclic Platforms for the Construction of Tetranuclear Oxo and Hydroxo Zinc Clusters","Organometallics","2015","34","11","2608","","10.1021/om501244n","","","0.71073","MoKα","","0.1379","0.0992","","","0.2673","0.3069","","","","","","1.054","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085520","25.26","0.02","5.038","0.005","17.291","0.017","90","","104.812","0.016","90","","2127","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 O3 -","- C14 H10 O3 -","- C112 H80 O24 -","8","1","","Chu, Jean-Ho; Chen, Shih-Tien; Chiang, Meng-Fan; Wu, Ming-Jung","Palladium-Catalyzed Direct Ortho Aroylation of 2-Phenoxypyridines with Aldehydes and Catalytic Mechanism Investigation","Organometallics","2015","34","5","953","","10.1021/om501330h","","","0.71073","MoKα","","0.0969","0.0482","","","0.1276","0.1854","","","","","","1.047","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085521","6.0929","0.001","15.534","0.003","16.056","0.003","90","","99.965","0.003","90","","1496.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","1","","Chu, Jean-Ho; Chen, Shih-Tien; Chiang, Meng-Fan; Wu, Ming-Jung","Palladium-Catalyzed Direct Ortho Aroylation of 2-Phenoxypyridines with Aldehydes and Catalytic Mechanism Investigation","Organometallics","2015","34","5","953","","10.1021/om501330h","","","0.71073","MoKα","","0.0595","0.0387","","","0.0899","0.1015","","","","","","1.021","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085522","7.951","0.013","10.803","0.017","11.374","0.018","92.96","0.03","100.55","0.02","98.42","0.02","947","3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O3 -","- C25 H17 N O3 -","- C50 H34 N2 O6 -","2","1","","Chu, Jean-Ho; Chen, Shih-Tien; Chiang, Meng-Fan; Wu, Ming-Jung","Palladium-Catalyzed Direct Ortho Aroylation of 2-Phenoxypyridines with Aldehydes and Catalytic Mechanism Investigation","Organometallics","2015","34","5","953","","10.1021/om501330h","","","0.71073","MoKα","","0.157","0.0689","","","0.1348","0.1713","","","","","","0.935","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085523","9.3091","0.0007","7.9329","0.0006","15.0168","0.0011","90","","100.583","0.003","90","","1090.1","0.14","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H31 B5 Zr2 -","- C20 H31 B5 Zr2 -","- C40 H62 B10 Zr4 -","2","1","","Roy, Dipak Kumar; Mondal, Bijan; De, Anangsha; Panda, Subhankar; Ghosh, Sundargopal","Novel Neutral Zirconaborane [(Cp2Zr)2B5H11]: Anarachno-B3H9Analogue (Cp = η5-C5H5)","Organometallics","2015","34","5","908","","10.1021/om5012853","","","0.71073","MoKα","","0.0485","0.0419","","","0.0943","0.099","","","","","","1.038","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085524","14.2477","0.0006","16.6875","0.0008","17.313","0.0008","90","","90.515","0.001","90","","4116.1","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 N P2 Ru -","- C52 H39 N P2 Ru -","- C208 H156 N4 P8 Ru4 -","4","1","","Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.","Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions","Organometallics","2015","34","11","2395","","10.1021/om501186c","","x-ray","0.71073","MoKα","K-L~3~","0.0497","0.033","","","0.0756","0.0818","","","","","","1.007","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085525","12.9342","0.0009","23.3662","0.0017","13.31","0.001","90","","98.512","0.002","90","","3978.3","0.5","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 P2 Ru -","- C52 H42 P2 Ru -","- C208 H168 P8 Ru4 -","4","1","","Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.","Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions","Organometallics","2015","34","11","2395","","10.1021/om501186c","","x-ray","0.71073","MoKα","K-L~3~","0.086","0.0413","","","0.0733","0.0837","","","","","","0.961","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085526","11.2014","0.0007","16.3616","0.0011","22.0949","0.0014","90","","90.675","0.002","90","","4049.1","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 P2 Ru S -","- C53 H42 P2 Ru S -","- C212 H168 P8 Ru4 S4 -","4","1","","Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.","Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions","Organometallics","2015","34","11","2395","","10.1021/om501186c","","x-ray","0.71073","MoKα","K-L~3~","0.0423","0.0315","","","0.0748","0.0826","","","","","","1.065","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085527","16.693","0.007","11.384","0.004","21.646","0.009","90","","98.678","0.005","90","","4066","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H76 Cl2 P4 Ru2 -","- C97 H76 Cl2 P4 Ru2 -","- C194 H152 Cl4 P8 Ru4 -","2","0.5","","Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.","Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions","Organometallics","2015","34","11","2395","","10.1021/om501186c","","","0.6889","synchrotron","","0.1234","0.08","","","0.2221","0.2575","","","","","","1.024","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085528","8.8692","0.0004","12.6858","0.0005","17.6885","0.0007","90.247","0.018","96.49","0.017","106.425","0.017","1895.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl4 P4 Ru2 -","- C92 H74 Cl4 P4 Ru2 -","- C92 H74 Cl4 P4 Ru2 -","1","0.5","","Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.","Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions","Organometallics","2015","34","11","2395","","10.1021/om501186c","","x-ray","0.71073","MoKα","","0.1373","0.0753","","","0.1512","0.1745","","","","","","0.991","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085529","13.0625","0.0012","15.765","0.0013","17.5041","0.0014","70.987","0.007","83.584","0.007","70.335","0.008","3209.2","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H49 B Cl3 F24 N4 O2 Rh -","- C61 H49 B Cl3 F24 N4 O2 Rh -","- C122 H98 B2 Cl6 F48 N8 O4 Rh2 -","2","1","","Andrew, Rhiann E.; Ferdani, Dominic W.; Ohlin, C. André; Chaplin, Adrian B.","Coordination Induced Atropisomerism in an NHC-Based Rhodium Macrocycle","Organometallics","2015","34","5","913","","10.1021/om501292k","","","0.71073","MoKα","","0.1243","0.081","","","0.1408","0.1587","","","","","","1.071","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085530","12.8512","0.0015","16.824","0.0019","16.3209","0.0018","90","","101.268","0.002","90","","3460.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 B2 O5 Os P2 -","- C31 H52 B2 O5 Os P2 -","- C124 H208 B8 O20 Os4 P8 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique","Boryl-Dihydrideborate Osmium Complexes: Preparation, Structure, and Dynamic Behavior in Solution","Organometallics","2015","34","5","941","","10.1021/om501309g","","","0.71073","MoKα","","0.0268","0.0216","","","0.0531","0.0552","","","","","","1.003","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085531","26.62","0.004","9.7721","0.0014","24.328","0.003","90","","108.669","0.002","90","","5995.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 B2 O3 Os P2 -","- C25 H50 B2 O3 Os P2 -","- C200 H400 B16 O24 Os8 P16 -","8","2","","Esteruelas, Miguel A.; López, Ana M.; Mora, Malka; Oñate, Enrique","Boryl-Dihydrideborate Osmium Complexes: Preparation, Structure, and Dynamic Behavior in Solution","Organometallics","2015","34","5","941","","10.1021/om501309g","","","0.71073","MoKα","","0.0582","0.0399","","","0.0832","0.089","","","","","","1.107","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085532","17.6901","0.0006","11.7401","0.0003","23.2316","0.001","90","","104.191","0.004","90","","4677.6","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cl2 N2 Zn -","- C26 H20 Cl2 N2 Zn -","- C208 H160 Cl16 N16 Zn8 -","8","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0603","0.0508","","","0.14","0.1508","","","","","","1.054","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085533","11.4539","0.0004","13.9416","0.0004","17.0847","0.0005","70.205","0.003","75.906","0.003","88.921","0.003","2483.64","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cl2 N2 Zn -","- C28 H24 Cl2 N2 Zn -","- C112 H96 Cl8 N8 Zn4 -","4","2","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0396","0.0322","","","0.0843","0.0892","","","","","","1.028","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085534","8.8029","0.0005","16.3249","0.0009","9.4998","0.0005","90","","99.664","0.005","90","","1345.81","0.13","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 N2 Zn -","- C30 H28 Cl2 N2 Zn -","- C60 H56 Cl4 N4 Zn2 -","2","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0338","0.0311","","","0.0806","0.0816","","","","","","1.03","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085535","11.5832","0.0003","11.9827","0.0004","16.3451","0.0005","90","","90","","90","","2268.67","0.12","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 N2 Zn -","- C26 H20 Cl2 N2 Zn -","- C104 H80 Cl8 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","0.71073","MoKα","","0.0569","0.05","","","0.1348","0.1431","","","","","","1.08","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085536","11.8069","0.0001","23.7064","0.0003","11.0504","0.0001","90","","98.418","0.001","90","","3059.67","0.05","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl8 N2 Zn -","- C28 H22 Cl8 N2 Zn -","- C112 H88 Cl32 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0355","0.033","","","0.0894","0.0931","","","","","","1.069","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085537","12.8103","0.0002","11.8043","0.0002","17.9425","0.0004","90","","105.731","0.002","90","","2611.58","0.09","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl4 N2 Zn -","- C27 H22 Cl4 N2 Zn -","- C108 H88 Cl16 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0441","0.0407","","","0.1109","0.1145","","","","","","1.001","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085538","12.7775","0.0005","11.6266","0.0002","17.4931","0.0004","90","","101.166","0.002","90","","2549.56","0.12","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl2 N3 Zn -","- C28 H23 Cl2 N3 Zn -","- C112 H92 Cl8 N12 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","0.71073","MoKα","","0.059","0.056","","","0.1337","0.1366","","","","","","1.215","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085539","16.9142","0.0009","15.5131","0.0007","21.6462","0.0012","90","","110.811","0.006","90","","5309.2","0.5","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cl2 N2 O Zn -","- C30 H28 Cl2 N2 O Zn -","- C240 H224 Cl16 N16 O8 Zn8 -","8","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0409","0.0381","","","0.1049","0.1076","","","","","","1.001","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085540","8.9257","0.0001","12.4902","0.0001","25.9339","0.0002","90","","99.028","0.001","90","","2855.39","0.05","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl5 N2 Zn -","- C29 H25 Cl5 N2 Zn -","- C116 H100 Cl20 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0397","0.0391","","","0.0985","0.0995","","","","","","1.05","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085541","8.2339","0.0001","18.226","0.0002","19.0885","0.0002","90","","98.643","0.001","90","","2832.1","0.06","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl4 N2 Zn -","- C29 H26 Cl4 N2 Zn -","- C116 H104 Cl16 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0393","0.0365","","","0.0969","0.0988","","","","","","1.066","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085542","12.7775","0.0005","11.6266","0.0002","17.4931","0.0004","90","","101.166","0.002","90","","2549.56","0.12","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl2 N3 Zn -","- C28 H23 Cl2 N3 Zn -","- C112 H92 Cl8 N12 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","0.71073","MoKα","","0.0532","0.0503","","","0.1224","0.1254","","","","","","1.09","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085543","8.1154","0.0001","17.4717","0.0002","20.2868","0.0003","90","","99.252","0.001","90","","2839.04","0.06","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 N2 O Zn -","- C32 H32 Cl2 N2 O Zn -","- C128 H128 Cl8 N8 O4 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0313","0.0285","","","0.0745","0.0824","","","","","","1.063","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085544","11.0597","0.0003","12.5524","0.0004","13.4151","0.0004","98.72","0.003","106.596","0.003","94.814","0.003","1748.17","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H29 F11 Ir N5 O6 S2 -","- C30 H29 F11 Ir N5 O6 S2 -","- C60 H58 F22 Ir2 N10 O12 S4 -","2","1","","Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Clot, Eric; Albrecht, Martin","Controlling the Selectivity of C‒H Activation in Pyridinium Triazolylidene Iridium Complexes: Mechanistic Details and Influence of Remote Substituents","Organometallics","2015","34","5","858","","10.1021/om501197g","","","0.71073","MoKα","","0.0274","0.0226","","","0.0498","0.0507","","","","","","0.986","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085545","19.7028","0.0009","17.3517","0.0009","20.8432","0.0012","90","","107.364","0.003","90","","6801.1","0.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 O5 P2 W2 -","- C36 H42 O5 P2 W2 -","- C288 H336 O40 P16 W16 -","8","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Reactions of the Unsaturated Ditungsten Anion [W2Cp2(μ-PCy2)(μ-CO)2]−with C- and P-Based Electrophiles","Organometallics","2015","34","5","870","","10.1021/om501202j","","x-ray","0.71073","MoKα","","0.064","0.0383","","","0.0626","0.0708","","","","","","1.029","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085546","7.7476","0.0011","12.466","0.002","12.598","0.002","93.589","0.009","101.776","0.007","102.005","0.007","1158","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(Chlorido)(1,3-dioxo-kappaO1-1H-inden-2(3H)-ylidene)(benzylamino)- methanolato-kappaO2)(eta^6^-p-cymene)ruthenium(II)]","","- C27 H26 Cl N O3 Ru -","- C27 H26 Cl N O3 Ru -","- C54 H52 Cl2 N2 O6 Ru2 -","2","1","","Mokesch, Stephan; Novak, Maria S.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","1,3-Dioxoindan-2-carboxamides as Bioactive Ligand Scaffolds for the Development of Novel Organometallic Anticancer Drugs","Organometallics","2015","34","5","848","","10.1021/om501032s","","","0.71073","MoKα","","0.0663","0.0568","","","0.1392","0.149","","","","","","1.022","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085547","11.295","0.002","12.951","0.003","15.54","0.003","90","","110.27","0.03","90","","2132.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Chlorido)(1,3-dioxo-kappaO1-1H-inden-2(3H)-ylidene)(propylamino)- methanolato-kappaO2)(eta^6^-p-cymene)ruthenium(II)]","","- C23 H26 Cl N O3 Ru -","- C23 H26 Cl N O3 Ru -","- C92 H104 Cl4 N4 O12 Ru4 -","4","1","","Mokesch, Stephan; Novak, Maria S.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","1,3-Dioxoindan-2-carboxamides as Bioactive Ligand Scaffolds for the Development of Novel Organometallic Anticancer Drugs","Organometallics","2015","34","5","848","","10.1021/om501032s","","","0.71073","MoKα","","0.0505","0.0446","","","0.0998","0.1031","","","","","","1.056","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085548","25.543","0.005","8.7306","0.0017","14.199","0.003","90","","104.11","0.03","90","","3070.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","η^2^-1,5-Cyclooctadienyl)-dichlorido-(N,N,N'-trimethylethylenediamine)- ruthenium(II)","","- C13 H26 Cl2 N2 Ru -","- C13 H26 Cl2 N2 Ru -","- C104 H208 Cl16 N16 Ru8 -","8","1","","Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Atom-Economical Synthesis of the Versatile Ruthenium Precursor [TpRuCl(COD)] (Tp = Hydrotris(pyrazol-1-yl)borate) Discloses a Diamine Ligand Dealkylation Process","Organometallics","2015","34","5","1001","","10.1021/om501307a","","x-ray","0.71073","MoKα","","0.0273","0.0254","","","0.058","0.0593","","","","","","1.066","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085549","11.269","0.005","11.851","0.005","19.359","0.008","84.716","0.009","80.322","0.009","62.606","0.008","2262.5","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H74 Co N4 Si4 -","- C39 H74 Co N4 Si4 -","- C78 H148 Co2 N8 Si8 -","2","1","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.2048","0.1046","","","0.2732","0.3255","","","","","","1.051","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085550","34.444","0.002","11.1129","0.0007","21.757","0.0013","90","","108.146","0.001","90","","7913.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H62 Co N4 Si4 -","- C33 H62 Co N4 Si4 -","- C264 H496 Co8 N32 Si32 -","8","2","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0775","0.0466","","","0.096","0.1062","","","","","","1.032","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085551","35.498","0.0014","12.4644","0.0005","40.3971","0.0016","90","","100.441","0.001","90","","17578.2","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H74 Co N4 P2 Si4 -","- C31 H74 Co N4 P2 Si4 -","- C496 H1184 Co16 N64 P32 Si64 -","16","2","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0713","0.0512","","","0.0991","0.1059","","","","","","1.095","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085552","11.1971","0.0005","12.1618","0.0005","19.5409","0.0009","96.401","0.001","103.599","0.001","115.435","0.001","2266.26","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H73 Co N4 P Si4 -","- C35 H73 Co N4 P Si4 -","- C70 H146 Co2 N8 P2 Si8 -","2","1","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0457","0.0341","","","0.0847","0.0931","","","","","","1.047","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085553","10.4729","0.0004","20.6538","0.0007","20.3921","0.0006","90","","107.064","0.002","90","","4216.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H71 Co N3 Si4 -","- C35 H71 Co N3 Si4 -","- C140 H284 Co4 N12 Si16 -","4","1","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0676","0.0375","","","0.0831","0.094","","","","","","1.008","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085554","13.1559","0.0004","18.4135","0.0006","20.8768","0.0005","90","","114.84","0.002","90","","4589.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 Co N4 Si2 -","- C45 H72 Co N4 Si2 -","- C180 H288 Co4 N16 Si8 -","4","1","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0796","0.0441","","","0.0942","0.1056","","","","","","1.014","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085555","21.5764","0.001","9.3773","0.0004","24.8166","0.0015","90","","112.572","0.001","90","","4636.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H74 Co N4 -","- C51 H74 Co N4 -","- C204 H296 Co4 N16 -","4","0.5","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.0802","0.0605","","","0.1442","0.1565","","","","","","1.036","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085556","21.6856","0.0008","9.3146","0.0003","24.5721","0.0009","90","","112.369","0.001","90","","4589.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H72 Co N4 -","- C51 H72 Co N4 -","- C204 H288 Co4 N16 -","4","0.5","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.107","0.0666","","","0.1345","0.152","","","","","","1.047","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085557","11.736","0.0009","17.2933","0.0012","22.7226","0.0014","90","","95.962","0.002","90","","4586.7","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H74 Co N4 P2 -","- C43 H74 Co N4 P2 -","- C172 H296 Co4 N16 P8 -","4","1","","Massard, Alexandre; Braunstein, Pierre; Danopoulos, Andreas A.; Choua, Sylvie; Rabu, Pierre","Studies on Three-Coordinate [Co{N(SiMe3)2}2L] Complexes, L = N-Heterocyclic Carbene","Organometallics","2015","34","11","2429","","10.1021/om501178p","","","0.71073","MoKα","","0.1996","0.0811","","","0.2056","0.2628","","","","","","0.978","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085558","11.9969","0.0004","12.5155","0.0003","12.769","0.0003","83.166","0.002","78.276","0.003","81.623","0.003","1849.28","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 O3 Sr2 -","- C40 H52 O3 Sr2 -","- C80 H104 O6 Sr4 -","2","1","","Izod, Keith; Waddell, Paul G.","Dibenzylstrontium and -barium: Simple Molecules with Complex Structures","Organometallics","2015","34","12","2726","","10.1021/om5010868","","","1.54184","CuKα","","0.0352","0.0272","","","0.0646","0.0693","","","","","","1.039","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085559","26.5531","0.0008","8.97743","0.00015","26.8011","0.0009","90","","123.613","0.005","90","","5320.6","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Ba1.5 O2 -","- C29 H37 Ba1.5 O2 -","- C232 H296 Ba12 O16 -","8","1","","Izod, Keith; Waddell, Paul G.","Dibenzylstrontium and -barium: Simple Molecules with Complex Structures","Organometallics","2015","34","12","2726","","10.1021/om5010868","","","0.71073","MoKα","","0.0384","0.0263","","","0.0444","0.0485","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085560","17.2649","0.0018","16.7361","0.0018","36.86","0.004","90","","90","","90","","10651","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61 H53 F7 N P3 Pt Sb2 -","- C61 H53 F7 N P3 Pt Sb2 -","- C488 H424 F56 N8 P24 Pt8 Sb16 -","8","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0449","0.0297","","","0.0545","0.0599","","","","","","1.063","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085561","12.865","0.004","17.498","0.005","19.948","0.006","90","","99.066","0.004","90","","4434","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl F P3 Pt Sb -","- C54 H42 Cl F P3 Pt Sb -","- C216 H168 Cl4 F4 P12 Pt4 Sb4 -","4","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0447","0.0314","","","0.066","0.0718","","","","","","1.025","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085562","11.0035","0.0015","13.2048","0.0018","20.396","0.003","100.137","0.002","94.541","0.002","106.049","0.001","2777.8","0.7","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H59 F2 N P3 Pt Sb -","- C67 H59 F2 N P3 Pt Sb -","- C134 H118 F4 N2 P6 Pt2 Sb2 -","2","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.072","0.0663","","","0.1704","0.1758","","","","","","1.024","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085563","11.2596","0.0015","15.673","0.002","20.636","0.003","82.937","0.002","83.932","0.002","70.025","0.001","3388.7","0.8","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H55 Cl6 F12 N P3 Pt Sb3 -","- C63 H55 Cl6 F12 N P3 Pt Sb3 -","- C126 H110 Cl12 F24 N2 P6 Pt2 Sb6 -","2","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0732","0.0657","","","0.174","0.1836","","","","","","1.01","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085564","21.86","0.004","13.623","0.002","17.265","0.003","90","","90.061","0.002","90","","5141.5","1.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cl6 P3 Pt Sb -","- C56 H46 Cl6 P3 Pt Sb -","- C224 H184 Cl24 P12 Pt4 Sb4 -","4","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0522","0.0369","","","0.088","0.0975","","","","","","1.045","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085565","27.517","0.002","15.031","0.001","30.299","0.002","90","","90","","90","","12531.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C94.06 H56.37 Cl3.69 Ir N -","- C94.058 H56.372 Cl3.686 Ir N -","- C752.464 H450.976 Cl29.488 Ir8 N8 -","8","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.84344","synchrotron","","0.1232","0.1148","","","0.2615","0.2645","","","","","","1.063","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085566","10.8311","0.0006","24.383","0.001","19.511","0.001","90","","102.69","0.006","90","","5026.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H39 Cl4 I2 Ir N8 Sn -","- C54 H39 Cl4 I2 Ir N8 Sn -","- C216 H156 Cl16 I8 Ir4 N32 Sn4 -","4","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.7999","synchrotron","","0.0336","0.0334","","","0.0823","0.0824","","","","","","1.007","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085567","31.1347","0.0011","15.0786","0.0005","27.3801","0.001","90","","90","","90","","12854.1","0.8","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C95 H58.88 Cl2.63 I Ir N -","- C95 H58.875 Cl2.625 I Ir N -","- C760 H471 Cl21 I8 Ir8 N8 -","8","2","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.71073","MoKα","","0.0411","0.0384","","","0.1106","0.113","","","","","","1.084","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085568","10.157","0.001","19.986","0.001","22.457","0.002","104.345","0.008","102.87","0.009","99.704","0.01","4183.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H74 I2 Ir N9 Sn -","- C121 H74 I2 Ir N9 Sn -","- C242 H148 I4 Ir2 N18 Sn2 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.84344","synchrotron","","0.0883","0.0786","","","0.1995","0.2053","","","","","","1.032","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085569","20.145","0.002","18.337","0.002","16.97","0.002","90","","90","","90","","6268.7","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49.5 H91 Cl5 Os P2 Si2 -","- C49.5 H91.04 Cl5.01 Os P2 Si2 -","- C198 H364.16 Cl20.04 Os4 P8 Si8 -","4","0.5","","Chen, Jiangxi; Lee, Ka-Ho; Wen, Tingbin; Gao, Feng; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes","Organometallics","2015","34","5","890","","10.1021/om501181u","","","0.71073","MoKα","","0.0447","0.0298","","","0.0768","0.0809","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085570","12.2527","0.0003","12.6046","0.0004","12.9976","0.0004","80.454","0.003","85.67","0.002","63.066","0.003","1764.83","0.1","173","0.14","173","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C32 H39 Cl4 O Os P Si2 -","- C32 H39 Cl4 O Os P Si2 -","- C64 H78 Cl8 O2 Os2 P2 Si4 -","2","1","","Chen, Jiangxi; Lee, Ka-Ho; Wen, Tingbin; Gao, Feng; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes","Organometallics","2015","34","5","890","","10.1021/om501181u","","","1.5418","CuKα","","0.0376","0.0373","","","0.0936","0.0939","","","","","","1.002","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085571","10.4741","0.0005","13.8506","0.0005","16.9368","0.0007","90","","101.401","0.005","90","","2408.58","0.18","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H76 B2 Ca2 O2 P2 Si4 -","- C36 H76 B2 Ca2 O2 P2 Si4 -","- C72 H152 B4 Ca4 O4 P4 Si8 -","2","0.5","","Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.","Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion","Organometallics","2015","34","11","2406","","10.1021/om501183p","","","0.71073","MoKα","","0.0865","0.0446","","","0.0887","0.0947","","","","","","0.823","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085572","11.9018","0.00016","18.8304","0.0002","13.3818","0.0002","90","","109.347","0.0016","90","","2829.72","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 B2 O4 P2 Si4 Sr2 -","- C44 H88.94 B2 O4 P2 Si4 Sr2 -","- C88 H177.88 B4 O8 P4 Si8 Sr4 -","2","0.5","","Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.","Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion","Organometallics","2015","34","11","2406","","10.1021/om501183p","","x-ray","1.54184","CuKα","","0.0446","0.0369","","","0.0937","0.0997","","","","","","1.021","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085573","10.8258","0.0003","11.851","0.0004","14.1952","0.0004","100.457","0.003","103.592","0.003","116.449","0.003","1496.77","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H47 B Ba O2 P Si2 -","- C22 H46.8 B Ba O2 P Si2 -","- C44 H93.6 B2 Ba2 O4 P2 Si4 -","2","1","","Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.","Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion","Organometallics","2015","34","11","2406","","10.1021/om501183p","","","0.71073","MoKα","","0.051","0.0327","","","0.073","0.0771","","","","","","0.945","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085574","13.3139","0.0004","13.8721","0.0004","17.1954","0.0006","69.048","0.003","79.922","0.003","77.4","0.003","2878","0.17","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C84 H174 B4 K2 O7 P4 Si8 Sr3 -","- C84 H174 B4 K2 O7 P4 Si8 Sr3 -","- C84 H174 B4 K2 O7 P4 Si8 Sr3 -","1","0.5","","Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.","Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion","Organometallics","2015","34","11","2406","","10.1021/om501183p","","x-ray","0.71073","MoKα","","0.0717","0.0416","","","0.0859","0.0989","","","","","","1.023","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085575","19.996","0.006","6.518","0.002","20.004","0.005","90","","103.047","0.011","90","","2539.9","1.3","100","2","100.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 Sn -","- C26 H36 N2 Sn -","- C104 H144 N8 Sn4 -","4","0.5","","Leites, Larissa A.; Bukalov, Sergey S.; Aysin, Rinat R.; Piskunov, Alexander V.; Chegerev, Maxim G.; Cherkasov, Vladimir K.; Zabula, Alexander V.; West, Robert","Aromaticity of an Unsaturated N-Heterocyclic Stannylene (HCRN)2SnIIAs Studied by Optical Spectra and Quantum Chemistry. Comparison in the Series (HCRN)2EII, E = C, Si, Ge, Sn (R =t-Bu or Dip)","Organometallics","2015","34","11","2278","","10.1021/om501054t","","","0.71073","MoKα","","0.0406","0.0354","","","0.0906","0.0949","","","","","","1.106","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085576","8.1181","0.0004","13.1124","0.0005","21.1016","0.001","90","","91.13","0.0009","90","","2245.78","0.18","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B Cl N8 O Ru -","- C19 H24 B Cl N8 O Ru -","- C76 H96 B4 Cl4 N32 O4 Ru4 -","4","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.7107","MoKα","","","0.0368","","","","0.0922","","","","","","1.007","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085577","8.479","0.002","11.139","0.003","11.453","0.003","100.752","0.004","103.497","0.004","92.977","0.003","1028.2","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H19 B Cl N9 O Ru -","- C17 H19 B Cl N9 O Ru -","- C34 H38 B2 Cl2 N18 O2 Ru2 -","2","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0271","","","","0.0613","","","","","","1.044","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085578","14.8898","0.0017","9.8923","0.001","15.145","0.0017","90","","103.513","0.0017","90","","2169","0.4","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 B Cl2 N8 Ru -","- C18 H21 B Cl2 N8 Ru -","- C72 H84 B4 Cl8 N32 Ru4 -","4","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0208","","","","0.0511","","","","","","1.046","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085579","12.293","0.003","21.318","0.006","19.025","0.005","90","","92.615","0.005","90","","4981","2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H27 B Cl N8 O2 Ru -","- C20.5 H24 B Cl N8 O2 Ru -","- C164 H192 B8 Cl8 N64 O16 Ru8 -","8","2","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0797","","","","0.218","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085580","7.9847","0.0019","13.189","0.004","20.956","0.006","90","","91.67","0.004","90","","2205.9","1.1","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B Cl N8 O Ru -","- C19 H23 B Cl N8 O Ru -","- C76 H92 B4 Cl4 N32 O4 Ru4 -","4","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0249","","","","0.0553","","","","","","1.042","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085581","9.4244","0.0018","18.294","0.004","19.003","0.004","90","","99.266","0.003","90","","3233.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 N2 Os P2 -","- C32 H56 N2 Os P2 -","- C128 H224 N8 Os4 P8 -","4","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0291","0.0221","","","0.0499","0.0522","","","","","","1.04","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085582","9.0462","0.0004","11.6082","0.0005","14.7453","0.0007","79.604","0.001","89.347","0.001","79.097","0.001","1495.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N2 Os P2 -","- C28 H54 N2 Os P2 -","- C56 H108 N4 Os2 P4 -","2","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0235","0.0209","","","0.0453","0.0467","","","","","","1.042","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085583","11.5135","0.0005","29.877","0.0012","12.121","0.0005","90","","108.301","0.001","90","","3958.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H63 B Cl2 F4 N2 Os P2 -","- C35 H63 B Cl2 F4 N2 Os P2 -","- C140 H252 B4 Cl8 F16 N8 Os4 P8 -","4","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0266","0.0215","","","0.0487","0.0506","","","","","","1.043","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085584","19.3809","0.0014","34.928","0.003","13.0448","0.001","90","","91.901","0.001","90","","8825.6","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 B Cl2 F4 N4 Os P2 -","- C39 H65 B Cl2 F4 N4 Os P2 -","- C312 H520 B8 Cl16 F32 N32 Os8 P16 -","8","2","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0388","0.0305","","","0.0612","0.0649","","","","","","1.08","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085585","10.0601","0.0004","18.5522","0.0008","19.7318","0.0009","90","","90.411","0.001","90","","3682.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 N2 O2 Os P2 -","- C45 H40 N2 O2 Os P2 -","- C180 H160 N8 O8 Os4 P8 -","4","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0449","0.0336","","","0.056","0.0597","","","","","","1.108","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085586","10.6224","0.0004","11.0347","0.0004","19.3266","0.0008","90.15","0.001","101.198","0.001","102.744","0.001","2165.05","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Cl2 N2 O2 Os P2 -","- C48 H46 Cl2 N2 O2 Os P2 -","- C96 H92 Cl4 N4 O4 Os2 P4 -","2","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun","Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity","Organometallics","2015","34","4","778","","10.1021/om501275c","","","0.71073","MoKα","","0.0288","0.0254","","","0.0559","0.0587","","","","","","1.055","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085587","12.8898","0.0004","13.7001","0.0004","21.7692","0.0007","90","","90","","90","","3844.3","0.2","100","2","100","2","","","","","","","","5","P b n a","-P 2ac 2b","60","compound 1","","","- C17 H19 Br Cl3 P -","- C17 H19 Br Cl3 P -","- C136 H152 Br8 Cl24 P8 -","8","1","","Schröder, Fabian G.; Sundermeyer, Jörg","Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides","Organometallics","2015","34","6","1017","1020","10.1021/om501325h","","","0.71069","MoKα","","0.045","0.0329","","","0.0646","0.068","","","","","","1.095","","","","has coordinates","209803","2020-10-21","18:00:00",""
"4085588","14.5317","0.0008","15.7241","0.0006","8.1768","0.0005","90","","95.232","0.005","90","","1860.6","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 2","","","- C23 H25 P -","- C23 H25 P -","- C92 H100 P4 -","4","1","","Schröder, Fabian G.; Sundermeyer, Jörg","Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides","Organometallics","2015","34","6","1017","1020","10.1021/om501325h","","","0.71069","MoKα","","0.0873","0.0406","","","0.0587","0.0659","","","","","","0.806","","","","has coordinates","209803","2020-10-21","18:00:00",""
"4085589","8.9171","0.0006","9.635","0.0007","10.9153","0.0008","95.22","0.006","103.669","0.006","90.252","0.006","907.14","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C40 H52 Li2 O2 P2 -","- C40 H52 Li2 O2 P2 -","- C40 H52 Li2 O2 P2 -","1","0.5","","Schröder, Fabian G.; Sundermeyer, Jörg","Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides","Organometallics","2015","34","6","1017","1020","10.1021/om501325h","","","0.71069","MoKα","","0.0754","0.0536","","","0.1317","0.1389","","","","","","0.985","","","","has coordinates","209803","2020-10-21","18:00:00",""
"4085590","8.2904","0.0004","23.4831","0.0015","9.8369","0.0005","90","","110.339","0.004","90","","1795.69","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 4","","","- C40 H50 Li4 O2 P2 -","- C40 H50 Li4 O2 P2 -","- C80 H100 Li8 O4 P4 -","2","0.5","","Schröder, Fabian G.; Sundermeyer, Jörg","Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides","Organometallics","2015","34","6","1017","1020","10.1021/om501325h","","","0.71073","MoKα","","0.1119","0.0372","","","0.0505","0.0599","","","","","","0.652","","","","has coordinates","209803","2020-10-21","18:00:00",""
"4085591","10.052","0.0009","10.4234","0.001","20.1422","0.0019","78.945","0.004","87.194","0.005","83.212","0.005","2056","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Bis(pentamethylcyclopentadienyl)-zirconium (IV) (Z)-1,2-diphenyl-3-(4-(trifluoromethyl)phenyl)prop-1-ene-1,3-bis(olate)","","- C48 H51 F3 O2 Zr -","- C48 H51 F3 O2 Zr -","- C96 H102 F6 O4 Zr2 -","2","1","","Kortman, Gregory D.; Orr, Meghan J.; Hull, Kami L.","Synthesis and Reactivity of Dioxazirconacyclohexenes: Development of a Zirconium‒Oxo-Mediated Alkyne‒Aldehyde Coupling Reaction","Organometallics","2015","34","6","1013","","10.1021/om5008727","","x-ray","0.71073","MoKα","","0.0413","0.0337","","","0.0783","0.083","","","","","","1.041","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085592","14.6677","0.0001","35.8151","0.0003","17.1801","0.0002","90","","91.928","0.001","90","","9020.03","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H111 Ag4 Br4 N9 O8 -","- C82 H111 Ag4 Br4 N9 O8 -","- C328 H444 Ag16 Br16 N36 O32 -","4","1","","Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V.","New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form","Organometallics","2015","34","11","2508","","10.1021/om5012165","","","1.54178","CuKα","","0.0679","0.0602","","","0.1528","0.157","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4085593","31.1544","0.0015","15.0002","0.0008","17.3313","0.0008","90","","98.312","0.005","90","","8014.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Cl2 N4 O5 -","- C40 H58 Cl2 N4 O5 -","- C320 H464 Cl16 N32 O40 -","8","1","","Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V.","New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form","Organometallics","2015","34","11","2508","","10.1021/om5012165","","","1.54178","CuKα","","0.1171","0.061","","","0.1545","0.1821","","","","","","0.97","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4085594","16.7862","0.001","19.0439","0.0012","19.1721","0.0014","63.626","0.007","88.45","0.005","64.963","0.006","4876.2","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H126 Ag Cl5 N8 O8 Ru2 -","- C98 H126 Ag Cl5 N8 O8 Ru2 -","- C196 H252 Ag2 Cl10 N16 O16 Ru4 -","2","1","","Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V.","New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form","Organometallics","2015","34","11","2508","","10.1021/om5012165","","","1.54178","CuKα","","0.1036","0.0714","","","0.1798","0.2042","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085595","8.887","0.002","17.682","0.004","17.762","0.004","90","","98.998","0.003","90","","2756.8","1.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Mo O2 Si -","- C33 H32 Mo O2 Si -","- C132 H128 Mo4 O8 Si4 -","4","1","","Sakaba, Hiroyuki; Tonosaki, Hiroki; Isozaki, Kazuyoshi; Kwon, Eunsang","η3-Silaallyl/Alkenylsilyl Molybdenum Complex: Synthesis, Structure, and Reactivity toward Primary Amines To Form Mo‒N‒Si Three-Membered Cyclic Complexes","Organometallics","2015","34","6","1029","","10.1021/om500996r","","","0.7107","MoKα","","0.0439","0.0416","","","0.103","0.1049","","","","","","1.041","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085596","8.915","0.003","19.109","0.005","17.452","0.005","90","","102.648","0.003","90","","2900.9","1.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Mo N O2 Si -","- C30 H39 Mo N O2 Si -","- C120 H156 Mo4 N4 O8 Si4 -","4","1","","Sakaba, Hiroyuki; Tonosaki, Hiroki; Isozaki, Kazuyoshi; Kwon, Eunsang","η3-Silaallyl/Alkenylsilyl Molybdenum Complex: Synthesis, Structure, and Reactivity toward Primary Amines To Form Mo‒N‒Si Three-Membered Cyclic Complexes","Organometallics","2015","34","6","1029","","10.1021/om500996r","","","0.7107","MoKα","","","0.0645","","","","0.145","","","","","","1.1","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085597","9.17","0.003","14.916","0.005","19","0.007","90","","92.58","0.004","90","","2596.2","1.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Mo N O2 Si -","- C27 H33 Mo N O2 Si -","- C108 H132 Mo4 N4 O8 Si4 -","4","1","","Sakaba, Hiroyuki; Tonosaki, Hiroki; Isozaki, Kazuyoshi; Kwon, Eunsang","η3-Silaallyl/Alkenylsilyl Molybdenum Complex: Synthesis, Structure, and Reactivity toward Primary Amines To Form Mo‒N‒Si Three-Membered Cyclic Complexes","Organometallics","2015","34","6","1029","","10.1021/om500996r","","","0.7107","MoKα","","0.0504","0.0457","","","0.1061","0.1116","","","","","","1.095","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085598","9.892","0.007","11.307","0.008","18.922","0.014","79.814","0.009","87.192","0.009","66.851","0.009","1915","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Cl2 Ir N2 O4 P2 -","- C40 H35 Cl2 Ir N2 O4 P2 -","- C80 H70 Cl4 Ir2 N4 O8 P4 -","2","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0332","0.0287","","","0.07","0.0714","","","","","","1.031","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085599","11.9228","0.0008","29.487","0.002","10.5336","0.0007","90","","94.694","0.001","90","","3690.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Ir N2 O5 P2 -","- C40 H35 Ir N2 O5 P2 -","- C160 H140 Ir4 N8 O20 P8 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0426","0.0258","","","0.0497","0.0547","","","","","","1.017","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085600","9.5341","0.0012","11.6693","0.0015","18.64","0.002","76.984","0.001","87.842","0.002","72.248","0.002","1923.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 Ir N2 O5 P2 -","- C43 H41 Ir N2 O5 P2 -","- C86 H82 Ir2 N4 O10 P4 -","2","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0751","0.05","","","0.1039","0.1143","","","","","","1.046","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085601","11.5792","0.0017","17.291","0.003","20.476","0.003","90","","105.536","0.002","90","","3949.8","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Ir N2 O5 P2 S -","- C44 H38 Ir N2 O5 P2 S -","- C176 H152 Ir4 N8 O20 P8 S4 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.056","0.0327","","","0.0606","0.0668","","","","","","1.006","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085602","17.316","0.0011","11.8362","0.0007","19.814","0.0009","90","","120.358","0.004","90","","3504.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Ir N2 O5 P2 -","- C39 H33 Ir N2 O5 P2 -","- C156 H132 Ir4 N8 O20 P8 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0614","0.038","","","0.0659","0.0727","","","","","","1.055","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085603","16.023","0.002","11.7437","0.0016","19.48","0.002","90","","116.84","0.009","90","","3270.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Ir N3 O5 P2 -","- C37 H30 Ir N3 O5 P2 -","- C148 H120 Ir4 N12 O20 P8 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0546","0.0351","","","0.0721","0.0794","","","","","","1.057","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085604","11.9375","0.0006","17.6813","0.0008","19.8625","0.0009","90","","90","","90","","4192.4","0.3","100","2","100","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Ag Cl F6 Ir N O5 P2 S2 -","- C39 H30 Ag Cl F6 Ir N O5 P2 S2 -","- C156 H120 Ag4 Cl4 F24 Ir4 N4 O20 P8 S8 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0276","0.024","","","0.0499","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085605","8.1046","0.0003","9.1978","0.0004","12.9086","0.0005","70.418","0.002","78.963","0.002","73.532","0.002","864.45","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Br N4 -","- C18 H21 Br N4 -","- C36 H42 Br2 N8 -","2","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.0362","0.0291","","","0.0746","0.0771","","","","","","1.066","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085606","14.6992","0.0007","26.1928","0.0012","9.8918","0.0004","90","","102.492","0.002","90","","3718.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Br N4 -","- C21 H19 Br N4 -","- C168 H152 Br8 N32 -","8","2","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.0808","0.039","","","0.065","0.0745","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085607","15.238","0.004","13.917","0.003","17.217","0.004","90","","92.488","0.01","90","","3647.7","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Br Cl2 N8 Ru -","- C35 H31 Br Cl2 N8 Ru -","- C140 H124 Br4 Cl8 N32 Ru4 -","4","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.2254","0.0886","","","0.1929","0.256","","","","","","0.976","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085608","12.179","0.002","26.72","0.005","17.866","0.004","90","","109.07","0.03","90","","5495","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 F18 N8 O3 P3 Ru -","- C45 H46 F18 N8 O3 P3 Ru -","- C180 H184 F72 N32 O12 P12 Ru4 -","4","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.072","0.0468","","","0.122","0.135","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4085609","12.26","0.006","21.8","0.013","32.613","0.018","90","","90","","90","","8716","8","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C41 H34 Au Cl F12 N8 P2 Ru -","- C41 H34 Au Cl F12 N8 P2 Ru -","- C328 H272 Au8 Cl8 F96 N64 P16 Ru8 -","8","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.0665","0.0364","","","0.0646","0.0728","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085616","12.7258","0.0008","12.761","0.0009","29.211","0.002","80.011","0.004","89.827","0.004","67.807","0.003","4315.5","0.5","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H108 N6 O3 P4 S2 Si2 Zr2 -","- C89 H108 N6 O3 P4 S2 Si2 Zr2 -","- C178 H216 N12 O6 P8 S4 Si4 Zr4 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0794","0.0454","","","0.1114","0.1381","","","","","","1.093","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085617","9.6234","0.0002","18.0821","0.0003","19.458","0.0003","87.026","0.001","89.287","0.001","87.732","0.001","3378.52","0.1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 N3 P2 S Si Zr -","- C32 H41 N3 P2 S Si Zr -","- C128 H164 N12 P8 S4 Si4 Zr4 -","4","2","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.1172","0.0503","","","0.0913","0.1216","","","","","","1.018","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085618","12.7016","0.0005","17.771","0.0006","14.4417","0.0005","90","","92.436","0.002","90","","3256.8","0.2","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H80 Hf2 N4 O2 P4 S2 Si2 -","- C64 H80 Hf2 N4 O2 P4 S2 Si2 -","- C128 H160 Hf4 N8 O4 P8 S4 Si4 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0471","0.0325","","","0.065","0.0893","","","","","","1.08","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085619","12.6988","0.0005","17.7746","0.0007","14.4923","0.0006","90","","92.501","0.002","90","","3268","0.2","103","2","103","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2 -","- C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2 -","- C129.8 H158.8 N8 O3.4 P8 S4 Si4 Zr4 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0439","0.0346","","","0.0856","0.1005","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085620","10.0221","0.0003","10.1736","0.0003","19.9931","0.0007","102.563","0.002","94.634","0.002","94.794","0.002","1972.45","0.11","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H48 Cl2 Hf N2 P2 S Si3 -","- C34 H48 Cl2 Hf N2 P2 S Si3 -","- C68 H96 Cl4 Hf2 N4 P4 S2 Si6 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.021","0.0184","","","0.0432","0.0444","","","","","","1.057","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085621","10.0221","0.0002","10.187","0.0002","19.9255","0.0003","102.453","0.001","94.499","0.001","94.908","0.001","1969.31","0.06","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H48 Cl2 N2 P2 S Si3 Zr -","- C34 H48 Cl2 N2 P2 S Si3 Zr -","- C68 H96 Cl4 N4 P4 S2 Si6 Zr2 -","2","1","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0286","0.0243","","","0.0609","0.0631","","","","","","1.063","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085622","9.6249","0.0003","18.0474","0.0006","19.5069","0.0006","86.597","0.002","89.237","0.002","87.933","0.002","3380.05","0.19","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 Hf N3 P2 S Si -","- C32 H41 Hf N3 P2 S Si -","- C128 H164 Hf4 N12 P8 S4 Si4 -","4","2","","Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes","Organometallics","2015","34","7","1238","","10.1021/om5012962","","","0.71073","MoKα","","0.0397","0.0276","","","0.0578","0.0619","","","","","","1.043","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085623","32.3373","0.0009","32.3373","0.0009","15.1351","0.0007","90","","90","","90","","15826.8","1","291","2","291.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C37 H28 Cl2 N5 P Ru -","- C37 H28 Cl2 N5 P Ru -","- C592 H448 Cl32 N80 P16 Ru16 -","16","","","Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping","New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2015","34","7","1170","","10.1021/om501119x","","x-ray","1.54184","CuKα","","0.0613","0.0452","","","0.1238","0.1359","","","","","","1.018","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085624","12.4002","0.0003","19.0341","0.0006","24.7514","0.0012","90","","90","","90","","5842","0.4","291","2","291.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C58 H49 Cl8 N5 P2 Ru -","- C58 H47 Cl8 N5 P2 Ru -","- C232 H188 Cl32 N20 P8 Ru4 -","4","0.5","","Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping","New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2015","34","7","1170","","10.1021/om501119x","","","0.7107","MoKα","","0.0508","0.0438","","","0.1042","0.1082","","","","","","1.042","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085625","9.811","0.002","13.517","0.003","13.571","0.003","100.376","0.011","101.627","0.012","98.989","0.011","1699","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Cl Cr N2 O4 -","- C37 H48 Cl Cr N2 O4 -","- C74 H96 Cl2 Cr2 N4 O8 -","2","1","","Vadake Kulangara, Shaneesh; Haveman, Daniel; Vidjayacoumar, Bala; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Rob","Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization","Organometallics","2015","34","7","1203","","10.1021/om501013m","","","0.71073","MoKα","","0.049","0.0441","","","0.1222","0.1272","","","","","","1.059","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085626","9.0393","0.0006","12.141","0.0007","13.0865","0.0008","110.516","0.002","99.497","0.002","97.906","0.002","1296.65","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H62 Cl2 Cr2 N4 O2 -","- C59 H62 Cl2 Cr2 N4 O2 -","- C59 H62 Cl2 Cr2 N4 O2 -","1","0.5","","Vadake Kulangara, Shaneesh; Haveman, Daniel; Vidjayacoumar, Bala; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Rob","Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization","Organometallics","2015","34","7","1203","","10.1021/om501013m","","","0.71073","MoKα","","0.1007","0.0564","","","0.1244","0.1373","","","","","","1.005","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085627","13.6719","0.0004","7.7217","0.0002","34.574","0.002","90","","97.375","0.004","90","","3619.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Fe N3 O2 -","- C21 H19 Fe N3 O2 -","- C168 H152 Fe8 N24 O16 -","8","1","","Arivazhagan, C.; Borthakur, Rosmita; Ghosh, Sundargopal","Ferrocene and Triazole-Appended Rhodamine Based Multisignaling Sensors for Hg2+and Their Application in Live Cell Imaging","Organometallics","2015","34","7","1147","","10.1021/om500948c","","","0.71073","MoKα","","0.0497","0.0456","","","0.1106","0.1132","","","","","","1.126","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085628","11.2862","0.0004","13.6767","0.0004","21.7263","0.0007","80.26","0.003","87.686","0.003","81.116","0.003","3265.28","0.19","110","1","110","1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 F6 N7 O2 Os P3 -","- C64 H62 F6 N7 Os P3 -","- C128 H124 F12 N14 Os2 P6 -","2","1","","Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity","Organometallics","2015","34","12","2810","","10.1021/acs.organomet.5b00080","","x-ray","1.54184","CuKα","","0.083","0.06","","","0.1398","0.1514","","","","","","1.036","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085629","11.4835","0.0002","12.14766","0.00018","23.7547","0.0004","84.5964","0.0013","76.5069","0.0014","75.1112","0.0014","3112.01","0.09","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C73 H69 Cl2 N5 Os P2 -","- C72 H67 N5 Os P2 -","- C144 H134 N10 Os2 P4 -","2","1","","Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity","Organometallics","2015","34","12","2810","","10.1021/acs.organomet.5b00080","","x-ray","0.71073","MoKα","","0.0556","0.0473","","","0.1","0.1031","","","","","","1.143","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085630","12.407","0.005","15.235","0.007","18.64","0.009","108.001","0.008","98.002","0.012","95.292","0.011","3284","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H71 B2 Cl2 F8 N5 Os P2 -","- C72 H69 B2 F8 N5 Os P2 -","- C144 H138 B4 F16 N10 Os2 P4 -","2","1","","Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity","Organometallics","2015","34","12","2810","","10.1021/acs.organomet.5b00080","","x-ray","0.71073","MoKα","","0.0386","0.0294","","","0.0691","0.0763","","","","","","1.071","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085631","10.4672","0.00008","21.53543","0.00015","21.50542","0.00018","90","","101.535","0.0008","90","","4749.74","0.06","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl4 N5 O2 Os P -","- C50 H50 Cl4 N5 O2 Os P -","- C200 H200 Cl16 N20 O8 Os4 P4 -","4","1","","Müller, Astrid L.; Wadepohl, Hubert; Gade, Lutz H.","Bis(pyridylimino)isoindolato (BPI) Osmium Complexes: Structural Chemistry and Reactivity","Organometallics","2015","34","12","2810","","10.1021/acs.organomet.5b00080","","x-ray","0.71073","MoKα","","0.038","0.0344","","","0.0653","0.0662","","","","","","1.232","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085632","24.5726","0.0009","8.0142","0.0003","16.8295","0.0006","90","","115.208","0.002","90","","2998.6","0.2","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H32 Cl2 N O4 P Ru -","- C33 H32 Cl2 N O4 P Ru -","- C132 H128 Cl8 N4 O16 P4 Ru4 -","4","1","","Harvey, Pierre D.; Tasan, Semra; Gros, Claude P.; Devillers, Charles H.; Richard, Philippe; Gendre, Pierre Le; Bodio, Ewen","Ruthenium and Osmium Complexes of Phosphine-Porphyrin Derivatives as Potential Bimetallic Theranostics: Photophysical Studies","Organometallics","2015","34","7","1218","","10.1021/om5011808","","x-ray","0.71073","MoKα","","0.0439","0.0393","","","0.0854","0.0896","","","","","","1.077","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085633","9.011","0.002","8.415","0.002","9.891","0.003","90","","113.5","0.006","90","","687.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0404","0.0328","","","0.074","0.0785","","","","","","1.087","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085634","32.2621","0.001","32.2621","0.001","12.7055","0.0008","90","","90","","120","","11452.7","0.9","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C29 H27 Cl F N3 O -","- C29 H27 Cl F N3 O -","- C522 H486 Cl18 F18 N54 O18 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0942","0.0697","","","0.1875","0.2031","","","","","","1.071","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085635","10.2181","0.0011","11.8516","0.0012","15.2131","0.0016","76.187","0.002","73.619","0.003","80.858","0.003","1708.1","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H31 Ag Cl7 N3 -","- C32 H31 Ag Cl7 N3 -","- C64 H62 Ag2 Cl14 N6 -","2","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0737","0.0549","","","0.1368","0.1519","","","","","","1.022","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085636","10.4494","0.0008","11.8878","0.0009","15.2466","0.0011","75.831","0.003","72.202","0.003","80.363","0.003","1739.6","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H60 Ag2 Cl14 F2 N6 -","- C64 H60 Ag2 Cl14 F2 N6 -","- C64 H60 Ag2 Cl14 F2 N6 -","1","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0852","0.0591","","","0.1431","0.1599","","","","","","1.019","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085637","11.4803","0.0005","12.0702","0.0006","13.5796","0.0006","70.31","0.002","82.594","0.002","63.025","0.002","1578.3","0.13","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C64 H50 Ag2 Cl6 F12 N6 -","- C64 H50 Ag2 Cl6 F12 N6 -","- C64 H50 Ag2 Cl6 F12 N6 -","1","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0509","0.0431","","","0.1016","0.1068","","","","","","1.027","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085638","32.156","0.003","32.156","0.003","17.2446","0.0016","90","","90","","120","","15442","2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H43 Ag Cl N3 -","- C38 H43 Ag Cl N3 -","- C684 H774 Ag18 Cl18 N54 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0555","0.0439","","","0.1135","0.1201","","","","","","1.056","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085639","13.7911","0.0017","19.584","0.003","22.609","0.003","90","","90","","90","","6106.3","1.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29.5 H28 Au Cl2 F N3 O1.5 -","- C29.5 H28 Au Cl2 F N3 O1.5 -","- C236 H224 Au8 Cl16 F8 N24 O12 -","8","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.1389","0.0583","","","0.1384","0.1742","","","","","","1.013","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085640","32.367","0.003","32.367","0.003","17.135","0.003","90","","90","","120","","15546","3","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H43 Au Cl N3 -","- C38 H43 Au Cl N3 -","- C684 H774 Au18 Cl18 N54 -","18","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0503","0.0294","","","0.0427","0.0445","","","","","","1.023","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085641","13.5397","0.0019","18.106","0.002","13.0512","0.0018","90","","118.034","0.004","90","","2824.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Ag Cl N2 -","- C32 H42 Ag Cl N2 -","- C128 H168 Ag4 Cl4 N8 -","4","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0934","0.0593","","","0.1561","0.1715","","","","","","1.102","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085642","13.7365","0.0008","17.7992","0.0007","13.0475","0.0005","90","","118.173","0.002","90","","2812.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Au Cl N2 -","- C32 H42 Au Cl N2 -","- C128 H168 Au4 Cl4 N8 -","4","1","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.0686","0.033","","","0.0478","0.0502","","","","","","1.068","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085643","25.696","0.006","11.568","0.003","7.74","0.002","90","","90","","90","","2300.7","1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Fe -","- C28 H34 Fe -","- C112 H136 Fe4 -","4","1","","Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu; Ogasawara, Masamichi","Enantioselective Desymmetrization of 1,2,3-Trisubstituted Metallocenes by Molybdenum-Catalyzed Asymmetric Intraannular Ring-Closing Metathesis","Organometallics","2015","34","7","1197","","10.1021/om5011484","","","0.71075","MoKα","","0.0538","0.0339","","","0.0737","0.081","","","","","","1.023","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085644","9.4805","0.0004","11.4022","0.0004","12.9735","0.0004","75.48","0.003","71.716","0.004","78.169","0.003","1276.84","0.09","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl O6 Ru S4 -","- C20 H29 Cl O6 Ru S4 -","- C40 H58 Cl2 O12 Ru2 S8 -","2","1","","Tsui, Wai-Kuen; Chung, Lai-Hon; Tsang, Wai-Him; Yeung, Chi-Fung; Chiu, Chun-Hong; Lo, Hoi-Shing; Wong, Chun-Yuen","Synthesis, Spectroscopic and Theoretical Studies of Ruthenafuran and Osmafuran Prepared by Activation of Ynone in Alcohol","Organometallics","2015","34","6","1005","","10.1021/acs.organomet.5b00009","","","1.54178","CuKα","","0.0359","0.0341","","","0.0892","0.0907","","","","","","1.034","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085645","11.507","0.0004","16.9819","0.0005","16.3624","0.0005","90","","101.146","0.003","90","","3137.08","0.18","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl3 N4 O6 Ru -","- C31 H27 Cl3 N4 O6 Ru -","- C124 H108 Cl12 N16 O24 Ru4 -","4","1","","Tsui, Wai-Kuen; Chung, Lai-Hon; Tsang, Wai-Him; Yeung, Chi-Fung; Chiu, Chun-Hong; Lo, Hoi-Shing; Wong, Chun-Yuen","Synthesis, Spectroscopic and Theoretical Studies of Ruthenafuran and Osmafuran Prepared by Activation of Ynone in Alcohol","Organometallics","2015","34","6","1005","","10.1021/acs.organomet.5b00009","","","0.71073","MoKα","","0.0702","0.0566","","","0.1505","0.1631","","","","","","1.057","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085646","23.589","0.01","16.101","0.006","13.377","0.005","90","","101.844","0.007","90","","4973","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cu2 N4 O6 -","- C25 H20 Cu2 N4 O6 -","- C200 H160 Cu16 N32 O48 -","8","1","","Nakane, Takayuki; Tanioka, Yuta; Tsukada, Naofumi","Synthesis of Multinuclear Copper Complexes Bridged by Diquinolylamidinates and Their Application to Copper-Catalyzed Coupling of Terminal Alkynes and Aryl, Allyl, and Benzyl Halides","Organometallics","2015","34","7","1191","","10.1021/om501139f","","","0.7107","MoKα","","","0.0767","","","","0.1594","","","","","","1.044","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085647","14.12","0.005","25.357","0.007","24.651","0.009","90","","131.715","0.004","90","","6588","4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H53 Cl4 Cu4 N8 O9 -","- C53 H44 Cl4 Cu4 N8 O9 -","- C212 H176 Cl16 Cu16 N32 O36 -","4","0.5","","Nakane, Takayuki; Tanioka, Yuta; Tsukada, Naofumi","Synthesis of Multinuclear Copper Complexes Bridged by Diquinolylamidinates and Their Application to Copper-Catalyzed Coupling of Terminal Alkynes and Aryl, Allyl, and Benzyl Halides","Organometallics","2015","34","7","1191","","10.1021/om501139f","","","0.7107","MoKα","","","0.0694","","","","0.1532","","","","","","1.119","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085652","6.2163","0.0004","33.717","0.002","8.7306","0.0006","90","","102.365","0.0011","90","","1787.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C88 H84 O8 P4 -","4","1","","Plunkett, Shane; Flanagan, Keith J.; Twamley, Brendan; Senge, Mathias O.","Highly Strained Tertiary sp3Scaffolds: Synthesis of Functionalized Cubanes and Exploration of Their Reactivity under Pd(II) Catalysis","Organometallics","2015","","","150331140242008","","10.1021/acs.organomet.5b00151","","","0.71073","MoKα","","0.0706","0.0545","","","0.1211","0.1277","","","","","","1.056","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085653","13.2171","0.0002","16.4002","0.0003","16.7854","0.0003","90","","119.935","0.001","90","","3153.06","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 Pb -","- C32 H48 N2 Pb -","- C128 H192 N8 Pb4 -","4","1","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.7107","MoKα","","0.044","0.0298","","","0.0605","0.0649","","","","","","1.051","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085654","16.8382","0.0003","16.7094","0.0003","23.0709","0.0003","90","","98.349","0.001","90","","6422.35","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 Pb -","- C33 H50 N2 Pb -","- C264 H400 N16 Pb8 -","8","2","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.7107","MoKα","","0.0913","0.0477","","","0.0799","0.0907","","","","","","1.029","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085655","8.9604","0.0001","20.3126","0.0004","9.8847","0.0002","90","","116.193","0.001","90","","1614.36","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H50 N2 Pb -","- C33 H50 N2 Pb -","- C66 H100 N4 Pb2 -","2","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.71073","MoKα","","0.0262","0.0233","","","0.0571","0.0586","","","","","","1.102","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085656","9.0355","0.0001","20.4803","0.0002","9.7186","0.0002","90","","109.596","0.001","90","","1694.26","0.04","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C34 H52 N2 Pb -","- C34 H52 N2 Pb -","- C68 H104 N4 Pb2 -","2","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.7107","MoKα","","0.019","0.0172","","","0.0424","0.0434","","","","","","1.013","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085657","16.2236","0.0002","20.5353","0.0002","9.938","0.0001","90","","90","","90","","3310.91","0.06","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C36 H48 N2 Pb -","- C36 H48 N2 Pb -","- C144 H192 N8 Pb4 -","4","0.5","","Taylor, Morgan J.; Coakley, Emma J.; Coles, Martyn P.; Cox, Hazel; Fulton, J. Robin","β-Diketiminato Organolead Complexes: Structures,207Pb NMR, and Hammett Correlations","Organometallics","2015","34","11","2515","","10.1021/om501223a","","x-ray","0.71073","MoKα","","0.0309","0.0262","","","0.0619","0.0639","","","","","","1.122","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085658","9.9375","0.0007","15.943","0.002","22.152","0.003","90","","90","","90","","3509.6","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tris-(2-((dimethylamino)methyl)phenyl)- bis-(tetrahydrofurane)- tin-lithium","","- C35 H52 Li N3 O2 Sn -","- C35 H52 Li N3 O2 Sn -","- C140 H208 Li4 N12 O8 Sn4 -","4","1","","Jastrzebski, Johann T. B. H.; van Klaveren, Mayra; van Koten, Gerard","Stable Divalent Triarylstannates R3SnLi Derived from 2-[(Dimethylamino)methyl]phenyllithium and SnCl2or R2Sn","Organometallics","2015","34","11","2600","","10.1021/om5012215","","","0.71073","MoKα","","0.0268","0.0239","","","0.0585","0.0595","","","","","","1.055","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085659","10.0617","0.0006","15.8787","0.0007","20.0617","0.001","90","","90","","90","","3205.2","0.3","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tris-(2-((dimethylamino)methyl)phenyl)-(tetrahydrofuran)-tin-lithium","","- C31 H44 Li N3 O Sn -","- C31 H44 Li N3 O Sn -","- C124 H176 Li4 N12 O4 Sn4 -","4","1","","Jastrzebski, Johann T. B. H.; van Klaveren, Mayra; van Koten, Gerard","Stable Divalent Triarylstannates R3SnLi Derived from 2-[(Dimethylamino)methyl]phenyllithium and SnCl2or R2Sn","Organometallics","2015","34","11","2600","","10.1021/om5012215","","","0.71073","MoKα","","0.152","0.0628","","","0.1191","0.1415","","","","","","0.836","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085660","8.251","0.0004","20.2395","0.001","10.1301","0.0005","90","","91.234","0.003","90","","1691.3","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H29 Br F3 O3 Re S3 -","- C36 H29 Br F3 O3 Re S3 -","- C72 H58 Br2 F6 O6 Re2 S6 -","2","1","","Kleinschmidt, Steffen; Schallenberg, David; Helmdach, Kai; Hinz, Alexander; Villinger, Alexander; Seidel, Wolfram W.","Spontaneous Formation of an η4-Ethylene Bis(carbene) Ligand by Alkyne Coupling at Rhenium(III)","Organometallics","2015","34","6","1091","","10.1021/acs.organomet.5b00030","","","0.71073","MoKα","","0.057","0.0389","","","0.0649","0.0707","","","","","","0.98","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085661","11.0016","0.0017","31.042","0.005","11.9962","0.0018","90","","109.704","0.002","90","","3857","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 Al Cl2 Si2 Zr -","- C37 H61 Al Cl2 Si2 Zr -","- C148 H244 Al4 Cl8 Si8 Zr4 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene‒Zirconium Complexes: Intramolecular Coordination of Chloride to Aluminum","Organometallics","2015","34","5","813","","10.1021/acs.organomet.5b00073","","","0.71075","MoKα","","0.0843","0.0612","","","0.1444","0.1616","","","","","","1.087","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085662","8.6705","0.001","22.546","0.003","22.704","0.003","90","","90","","90","","4438.3","1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 Al Cl2 Si2 Zr -","- C42 H71 Al Cl2 Si2 Zr -","- C168 H284 Al4 Cl8 Si8 Zr4 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene‒Zirconium Complexes: Intramolecular Coordination of Chloride to Aluminum","Organometallics","2015","34","5","813","","10.1021/acs.organomet.5b00073","","","0.71075","MoKα","","0.0675","0.0585","","","0.1415","0.1507","","","","","","1.072","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085663","15.081","0.002","34.334","0.004","16.086","0.002","90","","109.525","0.0019","90","","7850.2","1.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H128 Al2 Cl2 Si4 Zr -","- C78 H128 Al2 Cl2 Si4 Zr -","- C312 H512 Al8 Cl8 Si16 Zr4 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene‒Zirconium Complexes: Intramolecular Coordination of Chloride to Aluminum","Organometallics","2015","34","5","813","","10.1021/acs.organomet.5b00073","","","0.71075","MoKα","","0.0964","0.0718","","","0.1371","0.1506","","","","","","1.099","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085664","11.6442","0.0006","12.3067","0.0006","18.4598","0.0009","99.136","0.003","102.301","0.002","98.987","0.002","2501.8","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Si4 U -","- C40 H78 Li O6 Si4 U -","- C80 H156 Li2 O12 Si8 U2 -","2","1","","Le Roy, Jennifer J.; Gorelsky, Serge I.; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation in Uranium(III) and Neodymium(III) Cyclooctatetraenyl Complexes","Organometallics","2015","34","8","1415","","10.1021/om501214c","","","0.71073","MoKα","","0.0236","0.0202","","","0.0516","0.0533","","","","","","1.035","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085665","18.7988","0.0003","10.5392","0.0002","18.3902","0.0003","90","","100.016","0.001","90","","3588.02","0.11","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C31.5 H52 Si4 U -","- C31.5 H52 Si4 U -","- C126 H208 Si16 U4 -","4","1","","Le Roy, Jennifer J.; Gorelsky, Serge I.; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation in Uranium(III) and Neodymium(III) Cyclooctatetraenyl Complexes","Organometallics","2015","34","8","1415","","10.1021/om501214c","","","0.71073","MoKα","","0.0611","0.0366","","","0.0634","0.0701","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085666","11.6313","0.0002","12.3221","0.0003","18.4994","0.0004","99.193","0.001","102.292","0.001","99.069","0.001","2506.33","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li Nd O6 Si4 -","- C40 H78 Li Nd O6 Si4 -","- C80 H156 Li2 Nd2 O12 Si8 -","2","1","","Le Roy, Jennifer J.; Gorelsky, Serge I.; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation in Uranium(III) and Neodymium(III) Cyclooctatetraenyl Complexes","Organometallics","2015","34","8","1415","","10.1021/om501214c","","","0.71073","MoKα","","0.0298","0.026","","","0.0631","0.0652","","","","","","1.082","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085667","12.655","0.004","15.583","0.005","16.868","0.004","65.951","0.011","64.716","0.012","85.903","0.016","2725.4","1.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Cl7 Cu F P3 Si -","- C57 H48 Cl7 Cu F P3 Si -","- C114 H96 Cl14 Cu2 F2 P6 Si2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0957","0.081","","","0.1723","0.1811","","","","","","1.137","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085668","12.754","0.003","15.569","0.003","16.227","0.004","112.543","0.003","109.761","0.008","93.458","0.005","2733","1.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Ag Cl7 F P3 Si -","- C57 H48 Ag Cl7 F P3 Si -","- C114 H96 Ag2 Cl14 F2 P6 Si2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0857","0.0802","","","0.1761","0.1796","","","","","","1.151","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085669","12.696","0.003","16.721","0.004","16.95","0.004","65.119","0.01","64.757","0.011","76.911","0.013","2947.8","1.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H57 Au Cl F P3 Si -","- C69 H57 Au Cl F P3 Si -","- C138 H114 Au2 Cl2 F2 P6 Si2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0874","0.075","","","0.1402","0.1457","","","","","","1.184","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085670","12.6654","0.0001","15.6131","0.0002","16.845","0.0005","66.11","0.007","64.455","0.007","85.681","0.01","2727.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Cl7 Cu F Ge P3 -","- C57 H48 Cl7 Cu F Ge P3 -","- C114 H96 Cl14 Cu2 F2 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.1025","0.0891","","","0.2229","0.2324","","","","","","1.112","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085671","12.779","0.002","15.644","0.003","16.181","0.003","112.242","0.003","109.583","0.005","93.873","0.004","2749.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Ag Cl7 F Ge P3 -","- C57 H48 Ag Cl7 F Ge P3 -","- C114 H96 Ag2 Cl14 F2 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.072","0.0649","","","0.1441","0.1482","","","","","","1.125","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085672","12.7513","0.0009","15.6768","0.0009","16.1112","0.0012","111.645","0.001","109.469","0.002","94.2665","0.0011","2749.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Au Cl7 F Ge P3 -","- C57 H48 Au Cl7 F Ge P3 -","- C114 H96 Au2 Cl14 F2 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0438","0.0386","","","0.0816","0.0851","","","","","","1.067","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4085673","12.422","0.0001","12.279","0.0001","19.6341","0.0002","76.896","0.009","76.278","0.01","62.848","0.007","2564.27","0.19","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Cl5 Cu F P3 Sn -","- C56 H46 Cl5 Cu F P3 Sn -","- C112 H92 Cl10 Cu2 F2 P6 Sn2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0437","0.037","","","0.0755","0.0782","","","","","","1.101","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085674","12.4733","0.0019","12.564","0.0018","17.847","0.003","91.941","0.003","105.876","0.004","99.944","0.003","2640.1","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Ag Cl5 F P3 Sn -","- C56 H46 Ag Cl5 F P3 Sn -","- C112 H92 Ag2 Cl10 F2 P6 Sn2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0841","0.058","","","0.1356","0.1468","","","","","","1.046","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085675","12.2524","0.0001","12.4422","0.0001","19.797","0.0003","76.41","0.008","77.176","0.007","63.159","0.006","2593.98","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Au Cl5 F P3 Sn -","- C56 H46 Au Cl5 F P3 Sn -","- C112 H92 Au2 Cl10 F2 P6 Sn2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach","Organometallics","2015","34","8","1440","","10.1021/om501159v","","","0.7107","MoKα","","0.0307","0.0291","","","0.065","0.0657","","","","","","1.106","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085676","11.6777","0.0003","16.5067","0.0005","20.5065","0.0006","68.907","0.002","86.595","0.002","84.295","0.002","3668.53","0.19","193","","193","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H54 F P3 Si -","- C36 H54 F P3 Si -","- C144 H216 F4 P12 Si4 -","4","2","","Gualco, Pauline; Mallet-Ladeira, Sonia; Kameo, Hajime; Nakazawa, Hiroshi; Mercy, Maxime; Maron, Laurent; Amgoune, Abderrahmane; Bourissou, Didier","Coordination of a Triphosphine‒Silane to Gold: Formation of a Trigonal Pyramidal Complex Featuring Au+→Si Interaction","Organometallics","2015","34","8","1449","","10.1021/om501154d","","x-ray","0.71073","MoKα","","0.1354","0.0495","","","0.0944","0.1263","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085677","11.8818","0.0004","11.8818","0.0004","49.134","0.003","90","","90","","120","","6007.3","0.5","193","","193","","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","","","","- C36 H54 Au Cl F P3 Si -","- C36 H54 Au Cl F P3 Si -","- C216 H324 Au6 Cl6 F6 P18 Si6 -","6","0.333333","","Gualco, Pauline; Mallet-Ladeira, Sonia; Kameo, Hajime; Nakazawa, Hiroshi; Mercy, Maxime; Maron, Laurent; Amgoune, Abderrahmane; Bourissou, Didier","Coordination of a Triphosphine‒Silane to Gold: Formation of a Trigonal Pyramidal Complex Featuring Au+→Si Interaction","Organometallics","2015","34","8","1449","","10.1021/om501154d","","x-ray","0.71073","MoKα","","0.04","0.0371","","","0.081","0.0823","","","","","","1.077","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085678","13.308","0.0007","10.4183","0.0008","20.6079","0.0011","90","","108.536","0.004","90","","2709","0.3","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br2 Cl3 N2 O2 Ru -","- C23 H28 Br2 Cl3 N2 O2 Ru -","- C92 H112 Br8 Cl12 N8 O8 Ru4 -","4","1","","Şahin, Zeynel; Gürbüz, Nevin; Özdemir, İsmail; Şahin, Onur; Büyükgüngör, Orhan; Achard, Mathieu; Bruneau, Christian","N-Alkylation and N,C-Dialkylation of Amines with Alcohols in the Presence of Ruthenium Catalysts with Chelating N-Heterocyclic Carbene Ligands","Organometallics","2015","34","11","2296","","10.1021/om501066n","","","0.71073","MoKα","","0.1286","0.0721","","","0.1725","0.1947","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085679","31.0243","0.0019","9.7748","0.0004","15.0183","0.0009","90","","108.024","0.005","90","","4330.9","0.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cl2 N2 O2 Ru -","- C21 H25 Cl2 N2 O2 Ru -","- C168 H200 Cl16 N16 O16 Ru8 -","8","1","","Şahin, Zeynel; Gürbüz, Nevin; Özdemir, İsmail; Şahin, Onur; Büyükgüngör, Orhan; Achard, Mathieu; Bruneau, Christian","N-Alkylation and N,C-Dialkylation of Amines with Alcohols in the Presence of Ruthenium Catalysts with Chelating N-Heterocyclic Carbene Ligands","Organometallics","2015","34","11","2296","","10.1021/om501066n","","","0.71073","MoKα","","0.0744","0.0392","","","0.0768","0.0856","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085680","13.207","0.003","17.168","0.002","19.774","0.002","105.246","0.01","98.497","0.01","108.882","0.01","3957.5","1.2","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C49 H100 Cl3 N2 Na3 O17 Pd S13 -","- C49 H100 Cl3 N2 Na3 O17 Pd S13 -","- C98 H200 Cl6 N4 Na6 O34 Pd2 S26 -","2","1","","Garrido, Roberto; Hernández-Montes, Paulo S.; Gordillo, Álvaro; Gómez-Sal, Pilar; López-Mardomingo, Carmen; de Jesús, Ernesto","Water-Soluble Palladium(II) Complexes with Sulfonated N-Heterocyclic Carbenes in Suzuki Cross-Coupling and Hydrodehalogenation Reactions","Organometallics","2015","34","10","1855","","10.1021/om501295b","","x-ray","0.71073","MoKα","","0.1209","0.0761","","","0.164","0.2001","","","","","","1.082","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085681","6.6216","0.0002","17.5254","0.0006","10.6602","0.0004","90","","95.494","0.001","90","","1231.39","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 B Na O8 -","- C7 H14 B Na O8 -","- C28 H56 B4 Na4 O32 -","4","1","","Knopf, Ioana; Cummins, Christopher C.","Revisiting CO2Reduction with NaBH4under Aprotic Conditions: Synthesis and Characterization of Sodium Triformatoborohydride","Organometallics","2015","34","9","1601","1603","10.1021/acs.organomet.5b00190","","","0.71073","MoKα","","0.0434","0.0318","","","0.0786","0.0844","","","","","","1.05","","","","has coordinates","171423","2020-10-21","18:00:00",""
"4085682","17.86211","0.00017","17.52994","0.00015","21.0147","0.0002","90","","90","","90","","6580.16","0.1","100.05","0.1","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)","K^2^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(methyl)(4-tbutylpyridine)","","- C35 H37 N2 O3 P Pd S -","- C35 H37 N2 O3 P Pd S -","- C280 H296 N16 O24 P8 Pd8 S8 -","8","1","","Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.","Synthesis and Reactivity of Neutral Palladium(II) Alkyl Complexes that Contain Phosphinimine-Arenesulfonate Ligands","Organometallics","2015","34","10","1844","","10.1021/om501262r","","","0.71073","MoKα","","0.0649","0.0435","","","0.0957","0.1041","","","","","","1.079","","","","has coordinates","141377","2020-10-21","18:00:00",""
"4085683","9.3572","0.0006","11.8341","0.0008","18.5228","0.0014","87.01","0.006","87.005","0.006","69.223","0.006","1913.9","0.2","99.95","0.1","99.95","0.1","","","","","","","","7","P -1","-P 1","2","K^3^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(4-tbutylpyridine)","K^3^(2-triphenylphosphinimine-5-methylbenzenesulfonate) palladium(4-tbutylpyridine)","","- C43 H23 N2 O3 P Pd S -","- C43 H23 N2 O3 P Pd S -","- C86 H46 N4 O6 P2 Pd2 S2 -","2","1","","Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.","Synthesis and Reactivity of Neutral Palladium(II) Alkyl Complexes that Contain Phosphinimine-Arenesulfonate Ligands","Organometallics","2015","34","10","1844","","10.1021/om501262r","","","0.71073","MoKα","","0.0694","0.0502","","","0.1071","0.1151","","","","","","1.084","","","","has coordinates","141377","2020-10-21","18:00:00",""
"4085684","4.9655","0.0007","15.917","0.002","10.2142","0.0014","90","","102.764","0.002","90","","787.34","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl 2,3-diazido-4,6-O-benzylidene-2,3-dideoxy-alpha-D-mannopyranoside","(2S,3S,4R,5R,6R,9R)-3,4-diazido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-5-ol benzaldehyde 5,7-acetal","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C28 H32 N12 O8 -","2","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0396","0.0337","","","0.0724","0.0745","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085685","4.5545","0.0006","11.9317","0.0016","26.523","0.004","90","","90","","90","","1441.3","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 2-azido-4,6-O-benzylidene-2-deoxy-alpha-D-idopyranoside","(2S,3S,4R,5S,6R,9S)-4-azido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-3,5-diol benzaldehyde 5,7-acetal","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.044","0.036","","","0.0827","0.0864","","","","","","0.883","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4085686","4.8575","0.001","12.347","0.002","23.777","0.005","90","","90","","90","","1426","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 2-azido-4,6-O-benzylidene-2-deoxy-alpha-D-idopyranoside","(2S,3S,4S,5S,6R,9S)-3-azido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-4,5-diol benzaldehyde 5,7-acetal","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0546","0.0415","","","0.0858","0.0921","","","","","","1.027","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4085687","8.5224","0.0009","9.6975","0.001","19.462","0.002","90","","90","","90","","1608.5","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 4,6-O-benzylidene-2,3-diazido-2,3-dideoxy-alpha-D-talopyranoside","(2S,3S,4R,5S,6R,9S)-3,4-diazido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-5-ol benzaldehyde 5,7-acetal","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0531","0.0396","","","0.0771","0.0811","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085688","12.6278","0.0015","16.231","0.002","35.695","0.004","90","","90","","90","","7316.1","1.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)-pentamethyl-pentahapto-cyclopentadienyliridium(III) tetrafluoridoborate","","- C24 H35 B Cl F4 Ir N2 O4 -","- C24 H35 B Cl F4 Ir N2 O4 -","- C192 H280 B8 Cl8 F32 Ir8 N16 O32 -","8","2","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0706","0.0513","","","0.1122","0.1186","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085689","12.5626","0.0002","16.1979","0.0003","35.5225","0.0007","90","","90","","90","","7228.4","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate","","- C24 H35 B Cl F4 N2 O4 Rh -","- C24 H35 B Cl F4 N2 O4 Rh -","- C192 H280 B8 Cl8 F32 N16 O32 Rh8 -","8","2","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0698","0.0556","","","0.1471","0.1554","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085690","11.9435","0.0004","23.2329","0.0008","16.4422","0.0006","90","","105.978","0.001","90","","4386.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tris{[T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-mannopyranoside)pentamethyl-pentahapto-cyclopentadienylrhodium(III)} bistetrafluoridoborate chloride water","","- C72 H107 B2 Cl4 F8 N6 O13 Rh3 -","- C72 H107 B2 Cl4 F8 N6 O13 Rh3 -","- C144 H214 B4 Cl8 F16 N12 O26 Rh6 -","2","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0501","0.0379","","","0.0761","0.0806","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4085691","8.5697","0.0004","15.5205","0.0007","23.1856","0.001","90","","90","","90","","3083.8","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-gulopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate acetone","","- C27 H41 B Cl F4 N2 O5 Rh -","- C27 H41 B Cl F4 N2 O5 Rh -","- C108 H164 B4 Cl4 F16 N8 O20 Rh4 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0673","0.056","","","0.1152","0.1199","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085692","12.7327","0.0001","12.8528","0.0001","20.4257","0.0001","90","","90","","90","","3342.68","0.04","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-talopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate bisdichloromethane","","- C26 H39 B Cl5 F4 N2 O4 Rh -","- C26 H39 B Cl5 F4 N2 O4 Rh -","- C104 H156 B4 Cl20 F16 N8 O16 Rh4 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0338","0.0292","","","0.0643","0.067","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085693","17.576","0.005","12.575","0.004","41.874","0.011","90","","108.228","0.01","90","","8790","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H68 Br Mg O2 Sb Si8 -","- C24 H68 Br Mg O2 Sb Si8 -","- C192 H544 Br8 Mg8 O16 Sb8 Si64 -","8","2","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0592","0.0433","","","0.1027","0.1075","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085694","13.157","0.003","8.7737","0.0018","14.56","0.003","90","","106.35","0.03","90","","1612.8","0.6","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H50 Sb Si8 -","- C16 H49.08 Sb Si8 -","- C32 H98.16 Sb2 Si16 -","2","0.5","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0189","0.0184","","","0.0476","0.0479","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085695","9.798","0.002","21.07","0.004","18.387","0.004","90","","104.97","0.03","90","","3667.1","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H57 Sb Si9 -","- C19 H55.5 Sb Si9 -","- C76 H222 Sb4 Si36 -","4","2","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0861","0.0758","","","0.1446","0.1489","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085696","12.798","0.003","13.332","0.003","23.254","0.005","81.23","0.03","88.03","0.03","85.62","0.03","3908.8","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H116 K2 O4 Sb2 Si16 -","- C40 H116 K2 O4 Sb2 Si16 -","- C80 H232 K4 O8 Sb4 Si32 -","2","1","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0312","0.0288","","","0.0649","0.0662","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085697","41.589","0.008","13.058","0.003","15.11","0.003","90","","90","","90","","8206","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H58 Cl Sb Si8 Zr -","- C26 H58 Cl Sb Si8 Zr -","- C208 H464 Cl8 Sb8 Si64 Zr8 -","8","1","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.0875","0.0842","","","0.1619","0.1636","","","","","","1.375","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085698","41.538","0.008","13.038","0.003","15.117","0.003","90","","90","","90","","8187","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H49 Cl Hf Sb Si8 -","- C26 H49 Cl Hf Sb Si8 -","- C208 H392 Cl8 Hf8 Sb8 Si64 -","8","1","","Zitz, Rainer; Baumgartner, Judith; Marschner, Christoph","Metalated Oligosilanylstibines.","Organometallics","2015","34","8","1431","1439","10.1021/om501297h","","","0.71073","MoKα","","0.086","0.0768","","","0.158","0.1622","","","","","","1.278","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085699","12.4371","0.0015","14.4319","0.0017","16.2873","0.0019","90","","102.457","0.001","90","","2854.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Br5 P2 Pt -","- C22 H35 Br5 P2 Pt -","- C88 H140 Br20 P8 Pt4 -","4","1","","Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.","Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes","Organometallics","2015","34","9","1635","","10.1021/om501322f","","","0.71073","MoKα","","0.0611","0.0471","","","0.1232","0.1278","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085700","23.456","0.004","12.643","0.002","14.518","0.003","90","","99.486","0.002","90","","4246.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H66 Br2 P4 Pt2 -","- C34 H66 Br2 P4 Pt2 -","- C136 H264 Br8 P16 Pt8 -","4","1","","Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.","Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes","Organometallics","2015","34","9","1635","","10.1021/om501322f","","","0.71073","MoKα","","0.03","0.0237","","","0.0553","0.058","","","","","","1.017","","","","has coordinates","140249","2020-10-21","18:00:00",""
"4085701","13.5673","0.0019","14.476","0.002","16.057","0.002","101.664","0.002","90.484","0.002","110.644","0.001","2879.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H76 Br8 P4 Pt2 -","- C46 H76 Br8 P4 Pt2 -","- C92 H152 Br16 P8 Pt4 -","2","1","","Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.","Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes","Organometallics","2015","34","9","1635","","10.1021/om501322f","","","0.71073","MoKα","","0.0305","0.0235","","","0.0528","0.055","","","","","","1.015","","","","has coordinates","140249","2020-10-21","18:00:00",""
"4085702","13.1377","0.001","16.7133","0.0013","19.9374","0.0016","90","","90","","90","","4377.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 Br4 P4 Pt2 -","- C34 H64 Br4 P4 Pt2 -","- C136 H256 Br16 P16 Pt8 -","4","1","","Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.","Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes","Organometallics","2015","34","9","1635","","10.1021/om501322f","","","0.71073","MoKα","","0.0584","0.0426","","","0.0968","0.1061","","","","","","1.047","","","","has coordinates,has disorder","140249","2020-10-21","18:00:00",""
"4085703","11.5964","0.0004","11.8227","0.0004","14.6421","0.0005","86.744","0.003","74.771","0.004","71.997","0.003","1841.47","0.12","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cl2 N4 Pd -","- C40 H48 Cl2 N4 Pd -","- C80 H96 Cl4 N8 Pd2 -","2","1","","Karaca, Emine Özge; Gürbüz, Nevin; Özdemir, İsmail; Doucet, Henri; Şahin, Onur; Büyükgüngör, Orhan; Çetinkaya, Bekir","Palladium Complexes with Tetrahydropyrimidin-2-ylidene Ligands: Catalytic Activity for the Direct Arylation of Furan, Thiophene, and Thiazole Derivatives","Organometallics","2015","34","11","2487","","10.1021/om501201r","","","0.71073","MoKα","","0.0305","0.0254","","","0.0659","0.0678","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085704","9.115","0.003","9.309","0.004","17.363","0.008","83.17","0.05","76.35","0.04","70.69","0.04","1349.8","1","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C56 H70 B2 O3 P2 -","- C56 H70 B2 O3 P2 -","- C56 H70 B2 O3 P2 -","1","1","","Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.","Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation","Organometallics","2015","34","9","1608","","10.1021/om5008055","","","0.71075","MoKα","","0.1418","0.0816","","","0.1751","0.2154","","","","","","1.062","","","","has coordinates","140250","2020-10-21","18:00:00",""
"4085705","12.371","0.004","20.311","0.007","13.564","0.005","90","","92.283","0.01","90","","3405","2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Ni O5 P2 -","- C40 H32 Ni O5 P2 -","- C160 H128 Ni4 O20 P8 -","4","1","","Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.","Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation","Organometallics","2015","34","9","1608","","10.1021/om5008055","","","0.71075","MoKα","","0.1866","0.077","","","0.0997","0.1277","","","","","","0.929","","","","has coordinates","140250","2020-10-21","18:00:00",""
"4085706","14.976","0.007","14.669","0.006","18.633","0.008","90","","108.245","0.008","90","","3888","3","93","","93","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C41 H37 F6 O3 P3 Pd -","- C40.5 H37 F6 O3 P3 Pd -","- C162 H148 F24 O12 P12 Pd4 -","4","2","","Czauderna, Christine F.; Jarvis, Amanda G.; Heutz, Frank J. L.; Cordes, David B.; Slawin, Alexandra M. Z.; van der Vlugt, Jarl Ivar; Kamer, Paul C. J.","Chiral Wide-Bite-Angle Diphosphine Ligands: Synthesis, Coordination Chemistry, and Application in Pd-Catalyzed Allylic Alkylation","Organometallics","2015","34","9","1608","","10.1021/om5008055","","","0.7107","MoKα","","0.0671","0.0614","","","0.1578","0.1727","","","","","","1.053","","","","has coordinates","140250","2020-10-21","18:00:00",""
"4085707","13.43","0.004","15.676","0.003","17.132","0.003","90","","112.64","0.01","90","","3328.8","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Co P4 -","- C34 H43 Co P4 -","- C136 H172 Co4 P16 -","4","1","","Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","Cobalt-Promoted Tandem C(sp2)‒H Activation and C‒C Coupling of Vinyldiphenylphosphine: σ- vs π-Coordination Modes within Cyclometalation","Organometallics","2015","34","8","1454","","10.1021/om500816t","","","0.71073","MoKα","","0.0823","0.0434","","","0.0835","0.0951","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085708","10.612","0.002","14.7922","0.0015","18.01","0.003","90","","101.602","0.015","90","","2769.4","0.8","566","2","566","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(diphenylphosphanyl)propyl-C,P)-tris- (trimethylphospane)cobalt","","- C24 H41 Co P4 -","- C24 H41 Co P4 -","- C96 H164 Co4 P16 -","4","1","","Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","Cobalt-Promoted Tandem C(sp2)‒H Activation and C‒C Coupling of Vinyldiphenylphosphine: σ- vs π-Coordination Modes within Cyclometalation","Organometallics","2015","34","8","1454","","10.1021/om500816t","","","0.71073","MoKα","","0.1107","0.0488","","","0.0848","0.1013","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085709","9.7918","0.0006","9.9316","0.0006","14.068","0.0008","86.998","0.001","80.104","0.001","64.476","0.001","1215.84","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 Co P3 -","- C23 H36 Co P3 -","- C46 H72 Co2 P6 -","2","1","","Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","Cobalt-Promoted Tandem C(sp2)‒H Activation and C‒C Coupling of Vinyldiphenylphosphine: σ- vs π-Coordination Modes within Cyclometalation","Organometallics","2015","34","8","1454","","10.1021/om500816t","","","0.71073","MoKα","","0.0314","0.028","","","0.078","0.0804","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085710","5.9791","0.0019","32.635","0.01","8.845","0.003","90","","95.044","0.01","90","","1719.2","1","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Kumaran, Elumalai; Leong, Weng Kee","[Cp*RhCl2]2-Catalyzed Alkyne Hydroamination to 1,2-Dihydroquinolines","Organometallics","2015","34","9","1779","","10.1021/om501253v","","","0.71073","MoKα","","0.0929","0.0535","","","0.1468","0.1758","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085711","9.927","0.0006","12.9188","0.0007","16.2923","0.0009","98.309","0.003","104.241","0.003","97.519","0.003","1973.5","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","Kumaran, Elumalai; Leong, Weng Kee","[Cp*RhCl2]2-Catalyzed Alkyne Hydroamination to 1,2-Dihydroquinolines","Organometallics","2015","34","9","1779","","10.1021/om501253v","","","0.71073","MoKα","","0.0924","0.0594","","","0.1697","0.1851","","","","","","1.102","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085712","9.7961","0.0005","34.258","0.0017","14.8457","0.0007","90","","95.201","0.005","90","","4961.6","0.4","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H60 Cl O3 P3 Ru Si -","- C49 H60 Cl O3 P3 Ru Si -","- C196 H240 Cl4 O12 P12 Ru4 Si4 -","4","1","","Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.","Ruthenaphosphaalkenyls: Synthesis, Structures, and Their Conversion to η2-Phosphaalkene Complexes","Organometallics","2015","34","11","2533","","10.1021/om5012177","","","1.5418","CuKα","","0.1138","0.0876","","","0.2484","0.2864","","","","","","1.109","","","","has coordinates","154756","2020-10-21","18:00:00",""
"4085713","19.6355","0.0005","11.9196","0.0002","19.5933","0.0005","90","","116.565","0.003","90","","4101.6","0.2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cl O P3 Ru Si -","- C46 H42 Cl O P3 Ru Si -","- C184 H168 Cl4 O4 P12 Ru4 Si4 -","4","1","","Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.","Ruthenaphosphaalkenyls: Synthesis, Structures, and Their Conversion to η2-Phosphaalkene Complexes","Organometallics","2015","34","11","2533","","10.1021/om5012177","","x-ray","1.54184","CuKα","","0.0299","0.0267","","","0.0683","0.0714","","","","","","1.0295","","","","has coordinates","154756","2020-10-21","18:00:00",""
"4085714","19.6947","0.0006","12.0013","0.0002","19.7876","0.0005","90","","116.762","0.004","90","","4176.1","0.2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl O P3 Ru Si -","- C47 H44 Cl O P3 Ru Si -","- C188 H176 Cl4 O4 P12 Ru4 Si4 -","4","1","","Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.","Ruthenaphosphaalkenyls: Synthesis, Structures, and Their Conversion to η2-Phosphaalkene Complexes","Organometallics","2015","34","11","2533","","10.1021/om5012177","","x-ray","1.54184","CuKα","","0.0416","0.0378","","","0.0965","0.101","","","","","","1.042","","","","has coordinates","154756","2020-10-21","18:00:00",""
"4085715","14.067","0.0005","11.8937","0.0004","11.8433","0.0004","90","","95.715","0.003","90","","1971.64","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Cl N P Pd -","- C18 H31 Cl N P Pd -","- C72 H124 Cl4 N4 P4 Pd4 -","4","1","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.033","0.025","","","0.0558","0.0597","","","","","","1.077","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085716","12.1729","0.0002","13.5722","0.0002","13.5988","0.0002","90","","104.865","0.001","90","","2171.51","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl N P Pd -","- C20 H35 Cl N P Pd -","- C80 H140 Cl4 N4 P4 Pd4 -","4","1","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.037","0.0302","","","0.0773","0.0822","","","","","","1.047","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085717","11.128","0.011","12.203","0.016","17.944","0.014","90","","90","","90","","2437","4","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H39 Cl N P Pd -","- C22 H39 Cl N P Pd -","- C88 H156 Cl4 N4 P4 Pd4 -","4","1","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.1358","0.0574","","","0.1","0.1474","","","","","","0.953","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085718","8.784","0.0005","14.8321","0.0007","16.5925","0.0009","90","","104.152","0.006","90","","2096.1","0.2","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 I N P Pd -","- C18 H31 I N P Pd -","- C72 H124 I4 N4 P4 Pd4 -","4","1","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.071","0.0547","","","0.1109","0.1207","","","","","","1.055","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085719","18.4969","0.001","7.9228","0.0006","30.917","0.003","90","","90","","90","","4530.8","0.6","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H35 I N P Pd -","- C20 H35 I N P Pd -","- C160 H280 I8 N8 P8 Pd8 -","8","2","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.072","0.0579","","","0.1349","0.1463","","","","","","1.16","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085720","15.7626","0.0005","8.4662","0.0003","37.0054","0.0009","90","","91.874","0.002","90","","4935.7","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 I N P Pd -","- C22 H39 I N P Pd -","- C176 H312 I8 N8 P8 Pd8 -","8","2","","Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.","Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles","Organometallics","2015","34","9","1627","","10.1021/om501231k","","","0.71073","MoKα","","0.0818","0.0658","","","0.1194","0.1244","","","","","","1.264","","","","has coordinates","140252","2020-10-21","18:00:00",""
"4085721","12.716","0.006","13.305","0.006","21.743","0.009","82.29","0.005","76.846","0.005","87.007","0.005","3549","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H83 Fe N2 O2 P2 Y -","- C76 H83 Fe N2 O2 P2 Y -","- C152 H166 Fe2 N4 O4 P4 Y2 -","2","1","","Brosmer, Jonathan L.; Diaconescu, Paula L.","Yttrium-Alkyl Complexes Supported by a Ferrocene-Based Phosphinimine Ligand","Organometallics","2015","34","11","2567","","10.1021/om501227t","","","0.71073","MoKα","","0.0749","0.0611","","","0.1739","0.1823","","","","","","1.097","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085722","13.461","0.005","14.486","0.006","20.937","0.008","92.576","0.005","102.38","0.005","110.943","0.004","3691","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H87 Fe N2 O2 P2 Si Y -","- C73 H87 Fe N2 O2 P2 Si Y -","- C146 H174 Fe2 N4 O4 P4 Si2 Y2 -","2","1","","Brosmer, Jonathan L.; Diaconescu, Paula L.","Yttrium-Alkyl Complexes Supported by a Ferrocene-Based Phosphinimine Ligand","Organometallics","2015","34","11","2567","","10.1021/om501227t","","","0.71073","MoKα","","0.0605","0.0405","","","0.103","0.109","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085723","17.6254","0.0007","9.4691","0.0004","12.5686","0.0005","90","","96.244","0.002","90","","2085.21","0.15","293","2","293","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C13 H17 Cl2 O5 P Ru -","- C13 H15 Cl2 O5.005 P Ru -","- C52 H60 Cl8 O20.02 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.094","0.0522","","","0.1264","0.1408","","","","","","0.993","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085724","21.5619","0.0005","13.5371","0.0002","19.8932","0.0004","90","","90","","90","","5806.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl2 O4 P2 Ru -","- C26 H34 Cl2 O4 P2 Ru -","- C208 H272 Cl16 O32 P16 Ru8 -","8","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.1669","0.0923","","","0.1237","0.1431","","","","","","1.151","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085725","10.5614","0.0002","13.1538","0.0002","18.8915","0.0004","90","","90","","90","","2624.46","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 O4 P2 Ru -","- C22 H30 Cl2 O4 P2 Ru -","- C88 H120 Cl8 O16 P8 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.0557","0.0308","","","0.0606","0.0658","","","","","","1.002","","","","has coordinates","140188","2020-10-21","18:00:00",""
"4085726","12.518","0.0005","13.0742","0.0006","17.552","0.0007","90","","101.459","0.004","90","","2815.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl3 N O4 P Si -","- C27 H27 Cl3 N O4 P Si -","- C108 H108 Cl12 N4 O16 P4 Si4 -","4","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0729","0.0507","","","0.0967","0.1061","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085727","9.8723","0.0006","12.2232","0.0007","16.7314","0.0009","104.084","0.005","101.275","0.005","99.312","0.005","1873.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H34 Cl7.5 N O4 P Si -","- C31.5 H34 Cl7.5 N O4 P Si -","- C63 H68 Cl15 N2 O8 P2 Si2 -","2","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0901","0.0724","","","0.1751","0.1873","","","","","","1.077","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085728","12.5102","0.0005","12.9857","0.0005","17.7713","0.0007","90","","101.348","0.004","90","","2830.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 N O4 P Si -","- C28 H30 Cl2 N O4 P Si -","- C112 H120 Cl8 N4 O16 P4 Si4 -","4","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0602","0.0454","","","0.1012","0.1084","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085729","9.6383","0.0007","12.1814","0.0009","17.9861","0.0014","70.303","0.007","88.249","0.006","68.903","0.007","1845","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 Cl2 N O4 P Si -","- C38 H44 Cl2 N O4 P Si -","- C76 H88 Cl4 N2 O8 P2 Si2 -","2","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0757","0.0529","","","0.1162","0.128","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085730","11.6987","0.0009","11.7104","0.0008","17.8884","0.0014","73.442","0.006","71.92","0.007","60.791","0.007","2006.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H50.5 Cl N O4 P Si -","- C42.5 H50.5 Cl N O4 P Si -","- C85 H101 Cl2 N2 O8 P2 Si2 -","2","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0845","0.0587","","","0.129","0.1443","","","","","","1.036","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085731","10.5684","0.0006","10.7627","0.0006","15.5029","0.001","81.274","0.005","85.745","0.005","68.583","0.005","1622.26","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H42 N O4 P Si -","- C33 H42 N O4 P Si -","- C66 H84 N2 O8 P2 Si2 -","2","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0595","0.0459","","","0.1013","0.1074","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085732","9.2217","0.0004","8.891","0.0004","33.484","0.0017","90","","91.527","0.004","90","","2744.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N O4 P Si2 -","- C24 H34 N O4 P Si2 -","- C96 H136 N4 O16 P4 Si8 -","4","1","","Li, Jiancheng; Li, Yan; Purushothaman, Indu; De, Susmita; Li, Bin; Zhu, Hongping; Parameswaran, Pattiyil; Ye, Qingsong; Liu, Weiping","Fine Tuning of the Substituents on the N-Geminal Phosphorus/Silicon-Based Lewis Pairs for the Synthesis ofZ-Type Silyliminophosphoranylalkenes","Organometallics","2015","34","17","4209","","10.1021/om501288t","","","0.71073","MoKα","","0.0756","0.0561","","","0.1118","0.1192","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085733","9.2013","0.0018","12.006","0.002","14.448","0.003","102.44","0.03","107.99","0.03","105.41","0.03","1384.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H84 Sb2 Si14 -","- C28 H84 Sb2 Si14 -","- C28 H84 Sb2 Si14 -","1","0.5","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.08","0.0726","","","0.1392","0.1418","","","","","","1.291","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085734","16.444","0.003","9.055","0.0018","22.362","0.005","90","","95.94","0.03","90","","3311.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Br Sb Si8 -","- C16 H48 Br Sb Si8 -","- C64 H192 Br4 Sb4 Si32 -","4","0.5","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0673","0.0607","","","0.1212","0.1233","","","","","","1.325","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085735","9.6961","0.0019","15.11","0.003","21.669","0.004","97.43","0.03","96.19","0.03","108.7","0.03","2943.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H84 Sb2 Si16 -","- C28 H84 Sb2 Si16 -","- C56 H168 Sb4 Si32 -","2","1","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0935","0.0491","","","0.1009","0.1321","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085736","25.575","0.007","13.754","0.004","25.247","0.007","90","","114.197","0.004","90","","8101","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H124 O2 Sb4 Si16 -","- C44 H124 O2 Sb4 Si16 -","- C176 H496 O8 Sb16 Si64 -","4","1","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0723","0.0563","","","0.1284","0.1354","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085737","12.384","0.003","20.463","0.004","29.392","0.006","109.77","0.03","99.99","0.03","90.11","0.03","6888","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37.25 H101.75 Sb2 Si16 -","- C37.25 H101.75 Sb2 Si16 -","- C149 H407 Sb8 Si64 -","4","2","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.1459","0.1039","","","0.1872","0.2015","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085738","9.759","0.002","20.646","0.004","12.688","0.003","90","","111.04","0.03","90","","2386","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H75 Sb Si12 -","- C25 H75 Sb Si12 -","- C50 H150 Sb2 Si24 -","2","1","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0498","0.0483","","","0.1205","0.1213","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085739","9.203","0.0018","18.48","0.004","21.853","0.004","90","","93.54","0.03","90","","3709.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H57 O Sb Si8 -","- C20 H57 O Sb Si8 -","- C80 H228 O4 Sb4 Si32 -","4","1","","Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Oligosilanylated Antimony Compounds.","Organometallics","2015","34","8","1419","1430","10.1021/om501075v","","","0.71073","MoKα","","0.0335","0.032","","","0.0697","0.0705","","","","","","1.2","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085740","10.3066","0.0007","26.4451","0.0016","15.7119","0.0009","90","","101.008","0.004","90","","4203.6","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H65 N3 P2 Zr -","- C43 H65 N3 P2 Zr -","- C172 H260 N12 P8 Zr4 -","4","1","","Kamitani, Masahiro; Searles, Keith; Chen, Chun-Hsing; Carroll, Patrick J.; Mindiola, Daniel J.","β-Hydrogen Abstraction of an Ethyl Group Provides Entry to Titanium and Zirconium Ethylene Complexes","Organometallics","2015","34","11","2558","","10.1021/om501226k","","","0.71073","MoKα","","0.0784","0.0494","","","0.1047","0.1136","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085741","26.6098","0.0004","26.6098","0.0004","9.6169","0.0002","90","","90","","90","","6809.5","0.2","150","","150","","","","","","","","","8","I -4","I -4","82","","","","- C29 H46 F3 N O3 P2 S Zr -","- C29 H46 F3 N O3 P2 S Zr -","- C232 H368 F24 N8 O24 P16 S8 Zr8 -","8","1","","Kamitani, Masahiro; Searles, Keith; Chen, Chun-Hsing; Carroll, Patrick J.; Mindiola, Daniel J.","β-Hydrogen Abstraction of an Ethyl Group Provides Entry to Titanium and Zirconium Ethylene Complexes","Organometallics","2015","34","11","2558","","10.1021/om501226k","","","0.71073","MoKα","","0.057","0.0485","","0.1103","0.1071","0.1103","","","","","","0.9719","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085742","6.7439","0.0016","9.438","0.002","12.875","0.004","86.318","0.012","85.021","0.013","69.372","0.01","763.5","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O4 S -","- C14 H20 N2 O4 S -","- C28 H40 N4 O8 S2 -","2","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71073","MoKα","","0.0435","0.0327","","","0.0894","0.093","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085743","14.978","0.0014","11.165","0.0012","17.977","0.002","90","","98.494","0.005","90","","2973.3","0.5","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl2 N3 O3 Pd S -","- C31 H31 Cl2 N3 O3 Pd S -","- C124 H124 Cl8 N12 O12 Pd4 S4 -","4","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71075","MoKα","","0.0488","0.0407","","","0.089","0.0936","","","","","","1.081","","","","has coordinates","140190","2020-10-21","18:00:00",""
"4085744","8.7189","0.0017","12.453","0.003","17.192","0.003","94.64","0.03","103.57","0.03","107.34","0.03","1709","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H38 Cl3 N3 O3 Pd S -","- C34.5 H38 Cl3 N3 O3 Pd S -","- C69 H76 Cl6 N6 O6 Pd2 S2 -","2","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71073","MoKα","","0.0427","0.034","","","0.0933","0.0969","","","","","","1.058","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085745","18.955","0.0016","14.3972","0.0008","22.61","0.0018","90","","90","","90","","6170.2","0.8","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N3 O3 Pd S -","- C32 H39 N3 O3 Pd S -","- C256 H312 N24 O24 Pd8 S8 -","8","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71075","MoKα","","0.0366","0.0305","","","0.0737","0.0769","","","","","","1.086","","","","has coordinates","140190","2020-10-21","18:00:00",""
"4085746","11.3234","0.0003","12.0617","0.0004","17.3501","0.0005","93.508","0.002","107.454","0.002","91.315","0.002","2254.2","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 Co N P2 -","- C23 H30 Co N P2 -","- C92 H120 Co4 N4 P8 -","4","2","","Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan","Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones","Organometallics","2015","34","8","1479","","10.1021/om5011929","","","0.71073","MoKα","","0.1082","0.0969","","","0.2477","0.255","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085747","22.537","0.003","22.537","0.003","8.829","0.002","90","","90","","120","","3883.6","1.1","273","2","273","2","","","","","","","","6","P -3","-P 3","147","","","","- C23 H29 Co I N P2 -","- C23 H29 Co I N P2 -","- C138 H174 Co6 I6 N6 P12 -","6","1","","Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan","Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones","Organometallics","2015","34","8","1479","","10.1021/om5011929","","","0.71073","MoKα","","0.1114","0.0439","","","0.0991","0.1147","","","","","","0.861","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085748","8.6642","0.0003","8.7247","0.0003","16.2395","0.0006","94.891","0.003","92.592","0.003","106.975","0.003","1166.66","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 Cl Co N P2 -","- C23 H31 Cl Co N P2 -","- C46 H62 Cl2 Co2 N2 P4 -","2","1","","Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan","Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones","Organometallics","2015","34","8","1479","","10.1021/om5011929","","","0.71073","MoKα","","0.0483","0.0355","","","0.0857","0.0904","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085749","12.9669","0.0005","12.5541","0.0004","17.0366","0.0006","90","","102.278","0.003","90","","2709.92","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Co N O2 P2 -","- C28 H38 Co N O2 P2 -","- C112 H152 Co4 N4 O8 P8 -","4","1","","Zhou, Hongwei; Sun, Hongjian; Zhang, Shumiao; Li, Xiaoyan","Synthesis and Reactivity of a Hydrido CNC Pincer Cobalt(III) Complex and Its Application in Hydrosilylation of Aldehydes and Ketones","Organometallics","2015","34","8","1479","","10.1021/om5011929","","","0.71073","MoKα","","0.0583","0.04","","","0.1008","0.1084","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085750","9.9005","0.0002","14.8304","0.0003","31.2422","0.0007","90","","97.868","0.001","90","","4544.06","0.17","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 B O2 P Ti -","- C56 H64 B O2 P Ti -","- C224 H256 B4 O8 P4 Ti4 -","4","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0768","0.0503","","","0.1178","0.1308","","","","","","1.032","","","","has coordinates","136571","2020-10-21","18:00:00",""
"4085751","7.365","0.0006","23.435","0.002","32.712","0.003","90","","90","","90","","5646.1","0.8","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl O P Ti -","- C31 H42 Cl O P Ti -","- C248 H336 Cl8 O8 P8 Ti8 -","8","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0725","0.0383","","","0.0764","0.0864","","","","","","1.026","","","","has coordinates","136572","2020-10-21","18:00:00",""
"4085752","10.6544","0.0002","12.2709","0.0002","22.9045","0.0005","90","","96.776","0.001","90","","2973.6","0.1","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Cl O P Ti -","- C33 H46 Cl O P Ti -","- C132 H184 Cl4 O4 P4 Ti4 -","4","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0408","0.0343","","","0.0729","0.0772","","","","","","1.11","","","","has coordinates","136573","2020-10-21","18:00:00",""
"4085753","19.9023","0.0007","7.2439","0.0002","21.7739","0.0006","90","","111.675","0.002","90","","2917.19","0.16","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl O2 P Ti -","- C32 H44 Cl O2 P Ti -","- C128 H176 Cl4 O8 P4 Ti4 -","4","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.075","0.0571","","","0.1088","0.119","","","","","","1.186","","","","has coordinates","136574","2020-10-21","18:00:00",""
"4085754","11.1848","0.0004","13.6249","0.0005","18.3413","0.0008","81.386","0.002","81.569","0.002","68.941","0.002","2565.88","0.18","115","","115","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H68 B Cl2 O P Ti -","- C58 H68 B Cl2 O P Ti -","- C116 H136 B2 Cl4 O2 P2 Ti2 -","2","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0741","0.0534","","","0.1312","0.1394","","","","","","1.076","","","","has coordinates,has disorder","136575","2020-10-21","18:00:00",""
"4085755","12.6294","0.0004","14.1385","0.0005","14.6835","0.0005","107.561","0.003","90.056","0.002","110.923","0.002","2317.41","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 B O P Ti -","- C59 H58 B O P Ti -","- C118 H116 B2 O2 P2 Ti2 -","2","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","","0.71073","MoKα","","0.1618","0.1052","","","0.1895","0.226","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085756","12.9393","0.0002","23.6851","0.0004","19.1171","0.0004","90","","104.687","0.001","90","","5667.36","0.18","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 B O2 P Ti -","- C64 H72 B O2 P Ti -","- C256 H288 B4 O8 P4 Ti4 -","4","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","","0.71073","MoKα","","0.0915","0.0688","","","0.1854","0.1998","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085757","7.6197","0.0002","11.5507","0.0004","14.2056","0.0005","85.062","0.002","80.923","0.001","80.516","0.001","1215.42","0.07","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H43 P Ti -","- C27 H43 P Ti -","- C54 H86 P2 Ti2 -","2","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0451","0.0384","","","0.0783","0.0831","","","","","","1.105","","","","has coordinates","136577","2020-10-21","18:00:00",""
"4085758","10.3661","0.0004","31.4673","0.0012","13.4927","0.0005","90","","95.495","0.002","90","","4381","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H62 B O P Ti -","- C55 H62 B O P Ti -","- C220 H248 B4 O4 P4 Ti4 -","4","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","1.54178","CuKα","","0.0683","0.0559","","","0.1376","0.1458","","","","","","1.041","","","","has coordinates","136578","2020-10-21","18:00:00",""
"4085759","8.3942","0.0006","9.3342","0.0007","18.0496","0.0013","93.88","0.001","93.451","0.001","107.796","0.001","1338.61","0.17","100","2","100","","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C31 H44 Fe Si -","- C31 H44 Fe Si -","- C62 H88 Fe2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)","Organometallics","2015","34","11","2134","","10.1021/acs.organomet.5b00184","","","0.71073","MoKα","","0.0376","0.0338","","","0.0904","0.0934","","","","","","1.05","","","","has coordinates","140211","2020-10-21","18:00:00",""
"4085760","8.8981","0.0005","11.8359","0.0007","18.8372","0.0012","72.175","0.003","82.686","0.003","76.623","0.003","1833.98","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 Fe P Si -","- C41 H61 Fe P Si -","- C82 H122 Fe2 P2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)","Organometallics","2015","34","11","2134","","10.1021/acs.organomet.5b00184","","","0.71073","MoKα","","0.0948","0.0556","","","0.1281","0.1415","","","","","","1.019","","","","has coordinates","140211","2020-10-21","18:00:00",""
"4085761","8.7299","0.0004","9.9984","0.0005","21.5918","0.0011","90","","91.279","0.002","90","","1884.17","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C17 H33 Fe N2 P -","- C17 H33 Fe N2 P -","- C68 H132 Fe4 N8 P4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)","Organometallics","2015","34","11","2134","","10.1021/acs.organomet.5b00184","","","0.71073","MoKα","","0.1017","0.0991","","","0.3217","0.3231","","","","","","1.016","","","","has coordinates","140211","2020-10-21","18:00:00",""
"4085762","8.7703","0.0003","11.2002","0.0003","17.3519","0.0005","95.594","0.001","104.463","0.001","107.325","0.001","1548.1","0.08","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","Compound 3","","","- C37 H46 Fe Si -","- C37 H46 Fe Si -","- C74 H92 Fe2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)","Organometallics","2015","34","11","2134","","10.1021/acs.organomet.5b00184","","","0.71073","MoKα","","0.0511","0.0427","","","0.1045","0.1165","","","","","","1.06","","","","has coordinates","140211","2020-10-21","18:00:00",""
"4085763","14.373","0.003","19.967","0.004","25.014","0.005","90","","93.386","0.005","90","","7166","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl4 N2 O Ru -","- C36 H46 Cl4 N2 O Ru -","- C288 H368 Cl32 N16 O8 Ru8 -","8","2","","Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan","o-Aryloxide-N-heterocyclic Carbenes: Efficient Synthesis of the Proligands and Theirp-Cymene Ruthenium Complexes","Organometallics","2015","34","10","2012","","10.1021/acs.organomet.5b00256","","","0.71073","MoKα","","0.0462","0.0385","","","0.0849","0.0887","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085764","9.7037","0.0012","17.001","0.002","15.6962","0.0013","90","","100.35","0.007","90","","2547.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Mn N6 O3 -","- C27 H33 Mn N6 O3 -","- C108 H132 Mn4 N24 O12 -","4","1","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","0.71073","MoKα","","0.1372","0.0907","","","0.1635","0.1901","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085765","9.99697","0.00015","31.4459","0.0004","16.952","0.0002","90","","103.48","0.0015","90","","5182.28","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Fe N6 O3 -","- C27 H33 Fe N6 O3 -","- C216 H264 Fe8 N48 O24 -","8","2","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54184","CuKα","","0.0498","0.0413","","","0.0985","0.1038","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085766","13.1187","0.0001","13.1187","0.0001","28.3181","0.0005","90","","90","","120","","4220.62","0.09","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H96 Fe2 N6 Na2 O12 -","- C91.3 H96 Fe2 N6 Na2 O12 -","- C182.6 H192 Fe4 N12 Na4 O24 -","2","0.166667","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54178","CuKα","","0.0937","0.0843","","","0.2421","0.2536","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085767","12.4104","0.0006","13.308","0.0006","15.0872","0.0006","104.434","0.003","102.056","0.004","111.251","0.004","2121.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H100 Mn2 N12 Na2 O13 -","- C88 H90 Mn2 N12 Na2 O13 -","- C88 H90 Mn2 N12 Na2 O13 -","1","0.5","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54184","CuKα","","0.0583","0.0528","","","0.138","0.1432","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085768","10.306","0.0004","12.9626","0.0004","13.0826","0.0006","63.489","0.004","80.865","0.004","80.113","0.003","1534.03","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25.5 Mn N7.5 Na O3 -","- C33 H25.5 Mn N7.5 Na O3 -","- C66 H51 Mn2 N15 Na2 O6 -","2","1","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54184","CuKα","","0.0433","0.0403","","","0.0992","0.102","","","","","","1.059","","","","has coordinates,has disorder","286259","2023-09-07","06:00:24",""
"4085769","7.7538","0.0002","13.6404","0.0004","8.2758","0.0003","90","","98.581","0.003","90","","865.49","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Fe N4 O2 -","- C20 H14 Fe N4 O2 -","- C40 H28 Fe2 N8 O4 -","2","0.5","","Li, Lihong; Clarkson, Guy J.; Lees, Martin R.; Howson, Suzanne E.; Tan, Sze-yin; Turner, Scott S.; Scott, Peter","Iron and Manganese Complexes of 2-Carbonyl Pyrrolyls: Scorpionate Sandwich Anions and Extended Structures","Organometallics","2015","34","11","2543","","10.1021/om501218a","","","1.54184","CuKα","","0.0441","0.0412","","","0.1147","0.1189","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085770","14.892","0.0004","22.8443","0.0006","17.9543","0.0005","90","","108.342","0.001","90","","5797.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Yb -","- C80 H70 Yb -","- C320 H280 Yb4 -","4","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0371","0.0263","","","0.0598","0.0626","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085771","14.9113","0.0006","22.7697","0.001","18.0716","0.0008","90","","108.658","0.001","90","","5813.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Sm -","- C80 H70 Sm -","- C320 H280 Sm4 -","4","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0388","0.0278","","","0.0687","0.0722","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085772","14.9062","0.0006","22.7791","0.0009","18.07","0.0007","90","","108.662","0.001","90","","5813.1","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Eu -","- C80 H70 Eu -","- C320 H280 Eu4 -","4","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0384","0.0287","","","0.0663","0.0694","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085773","14.29408","0.00019","10.36858","0.00015","25.276","0.0003","90","","97.3273","0.0012","90","","3715.55","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H90 I2 O4 Yb2 -","- C88 H90 I2 O4 Yb2 -","- C176 H180 I4 O8 Yb4 -","2","0.5","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0625","0.0397","","","0.0797","0.085","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085774","12.0072","0.0003","13.2139","0.0002","24.1767","0.0005","76.5861","0.0017","79.8277","0.0017","77.872","0.0017","3614.87","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H86 N2 Sm -","- C97 H86 N2 Sm -","- C194 H172 N4 Sm2 -","2","1","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0727","0.0529","","","0.1005","0.1063","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085775","12.4064","0.00009","16.75168","0.00011","20.8507","0.00013","92.6919","0.0005","93.9369","0.0005","93.7052","0.0006","4308.34","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C228 H212 N2 Sm2 -","- C228 H212 N2 Sm2 -","- C228 H212 N2 Sm2 -","1","0.5","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0477","0.041","","","0.0984","0.1018","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085776","38.7365","0.0012","12.3888","0.0004","24.0747","0.0007","90","","100.223","0.001","90","","11370","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H126 I4 O12 Yb3 -","- C102 H126 I4 O12 Yb3 -","- C408 H504 I16 O48 Yb12 -","4","0.5","","Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.","Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands","Organometallics","2015","34","10","1991","","10.1021/acs.organomet.5b00243","","","0.71073","MoKα","","0.0509","0.0443","","","0.1318","0.1376","","","","","","1.081","","","","has coordinates,has disorder","140179","2020-10-21","18:00:00",""
"4085777","9.76176","0.00014","10.73671","0.00017","15.8354","0.0002","90.6518","0.0012","107.775","0.0012","102.129","0.0013","1540.09","0.04","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H39 N O2 S2 -","- C34 H39 N O2 S2 -","- C68 H78 N2 O4 S4 -","2","2","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0386","0.034","","","0.0869","0.091","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4085778","13.6511","0.0016","19.562","0.002","30.787","0.004","90","","90","","90","","8221.4","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C89 H116 N2 O4 Rh2 S4 -","- C89 H116 N2 O4 Rh2 S4 -","- C356 H464 N8 O16 Rh8 S16 -","4","1","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0416","0.034","","","0.0702","0.0735","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085779","12.4011","0.0008","13.7958","0.0008","16.224","0.0009","73.207","0.004","89.745","0.005","72.852","0.005","2529.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H60 Cl3 N O Rh S2 -","- C55 H60 Cl3 N O Rh S2 -","- C110 H120 Cl6 N2 O2 Rh2 S4 -","2","2","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0352","0.0263","","","0.0549","0.0583","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085780","11.9223","0.0004","22.3436","0.0008","12.782","0.0004","90","","113.273","0.002","90","","3127.91","0.19","123","","123","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N2 Y2 -","- C36 H40 N2 Y2 -","- C144 H160 N8 Y8 -","4","1","","Soller, Benedikt S.; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","C‒H Bond Activation by σ-Bond Metathesis as a Versatile Route toward Highly Efficient Initiators for the Catalytic Precision Polymerization of Polar Monomers","Organometallics","2015","","","150129130938007","","10.1021/om501173r","","x-ray","0.71073","MoKα","","0.0802","0.0383","","","0.0609","0.07","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085781","21.1209","0.001","22.0936","0.001","10.0306","0.0005","90","","90","","90","","4680.6","0.4","170","2","170","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H30 F6 Ir N4 P -","- C22 H30 F6 Ir N4 P -","- C176 H240 F48 Ir8 N32 P8 -","8","1","","Raible, Benjamin; Gierz, Verena; Kunz, Doris","Identifying and Rationalizing the Conditions for the Isomerization of 1,5-Cyclooctadiene in Iridium Complexes by Experimental and Theoretical Mechanistic Studies","Organometallics","2015","34","10","2018","","10.1021/acs.organomet.5b00267","","","0.71073","MoKα","","0.0707","0.0567","","","0.1247","0.1292","","","","","","1.141","","","","has coordinates,has disorder","140181","2020-10-21","18:00:00",""
"4085782","11.8675","0.0003","18.4547","0.0005","14.8368","0.0004","90","","108.524","0.002","90","","3081.07","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 F12 Ir2 N10 O P2 -","- C56 H84 F12 Ir2 N10 O P2 -","- C112 H168 F24 Ir4 N20 O2 P4 -","2","0.5","","Raible, Benjamin; Gierz, Verena; Kunz, Doris","Identifying and Rationalizing the Conditions for the Isomerization of 1,5-Cyclooctadiene in Iridium Complexes by Experimental and Theoretical Mechanistic Studies","Organometallics","2015","34","10","2018","","10.1021/acs.organomet.5b00267","","","0.71073","MoKα","","0.0542","0.0333","","","0.0552","0.0614","","","","","","1.013","","","","has coordinates,has disorder","140181","2020-10-21","18:00:00",""
"4085783","9.3868","0.0002","11.0066","0.0002","15.4792","0.0003","100.924","0.001","100.498","0.001","113.893","0.001","1374.69","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H31 F9 Ir N4 O2 P -","- C24 H31 F9 Ir N4 O2 P -","- C48 H62 F18 Ir2 N8 O4 P2 -","2","1","","Raible, Benjamin; Gierz, Verena; Kunz, Doris","Identifying and Rationalizing the Conditions for the Isomerization of 1,5-Cyclooctadiene in Iridium Complexes by Experimental and Theoretical Mechanistic Studies","Organometallics","2015","34","10","2018","","10.1021/acs.organomet.5b00267","","","0.71073","MoKα","","0.0348","0.0252","","","0.0442","0.0463","","","","","","1.03","","","","has coordinates","140181","2020-10-21","18:00:00",""
"4085784","10.0932","0.0005","17.2222","0.0008","14.5726","0.0006","90","","93.76","0.002","90","","2527.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ScNp3(thf)2","","","- C23 H49 O2 Sc -","- C23 H49 O2 Sc -","- C92 H196 O8 Sc4 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0466","0.0358","","","0.0838","0.0899","","","","","","1.057","","","","has coordinates","170109","2020-10-21","18:00:00",""
"4085785","12.1315","0.0005","27.926","0.0012","15.9238","0.0006","90","","90","","90","","5394.7","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(PNP-tBu)ScCl2","","","- C22 H42 Cl2 N P2 Sc -","- C22 H42 Cl2 N P2 Sc -","- C176 H336 Cl16 N8 P16 Sc8 -","8","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0427","0.0358","","","0.072","0.0752","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085786","15.2218","0.0005","11.6604","0.0004","21.0181","0.0008","90","","108.445","0.002","90","","3538.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PNP-tBu)ScNp2","","","- C32 H64 N P2 Sc -","- C32 H64 N P2 Sc -","- C128 H256 N4 P8 Sc4 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0548","0.0468","","","0.119","0.1251","","","","","","1.038","","","","has coordinates,has disorder","170109","2020-10-21","18:00:00",""
"4085787","15.4534","0.0009","14.4104","0.0008","30.3498","0.0018","90","","104.156","0.002","90","","6553.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PNP-Cy)ScCl2","","","- C60 H100 Cl4 N2 P4 Sc2 -","- C60 H100 Cl4 N2 P4 Sc2 -","- C240 H400 Cl16 N8 P16 Sc8 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0839","0.0644","","","0.1539","0.1642","","","","","","1.022","","","","has coordinates,has disorder","170109","2020-10-21","18:00:00",""
"4085788","14.0824","0.0007","16.233","0.0007","55.407","0.003","90","","95.398","0.001","90","","12609.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PNP-Cy)Sc(CH2SiMe3)2","","","- C28.5 H54 N0.75 P1.5 Sc0.75 Si1.5 -","- C28.5 H54 N0.75 P1.5 Sc0.75 Si1.5 -","- C456 H864 N12 P24 Sc12 Si24 -","16","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0603","0.0426","","","0.0884","0.0958","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085789","13.9103","0.0004","15.532","0.0004","55.3947","0.0014","90","","95.279","0.002","90","","11917.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(PNP-Cy)ScNp2","","","- C30 H54 N0.75 P1.5 Sc0.75 -","- C30 H54 N0.75 P1.5 Sc0.75 -","- C480 H864 N12 P24 Sc12 -","16","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0805","0.0495","","","0.0891","0.0994","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085790","14.346","0.0019","13.9805","0.0019","19.889","0.003","90","","104.687","0.007","90","","3858.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PNP-tBu)Sc(NHAr]","","","- C41 H57 N2 P2 Sc -","- C41 H57 N2 P2 Sc -","- C164 H228 N8 P8 Sc4 -","4","1","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0891","0.0462","","","0.0877","0.1026","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085791","23.181","0.0009","22.51","0.0008","25.2361","0.001","90","","90","","90","","13168.3","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","(PNP-tBu)ScNHAr(DMAP)2","","","- C55 H77 N6 P2 Sc -","- C55 H77 N6 P2 Sc -","- C440 H616 N48 P16 Sc8 -","8","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0991","0.076","","","0.1899","0.2067","","","","","","1.033","","","","has coordinates","170109","2020-10-21","18:00:00",""
"4085792","14.024","0.0005","17.1492","0.0005","20.2172","0.0007","73.2353","0.0015","84.4873","0.0018","67.113","0.0014","4288.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(PNP-Cy)Sc(C#CCHMe2)2","","","- C44.75 H69.25 N P2 Sc -","- C44.75 H70.25 N P2 Sc -","- C179 H281 N4 P8 Sc4 -","4","2","","Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.","C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes","Organometallics","2015","34","19","4647","","10.1021/acs.organomet.5b00213","","","0.71073","MoKα","","0.0902","0.0616","","","0.1495","0.168","","","","","","1.048","","","","has coordinates,has disorder","170109","2020-10-21","18:00:00",""
"4085793","12.2682","0.0009","13.4969","0.001","19.9489","0.0015","91.56","0.001","107.361","0.001","104.326","0.001","3036.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 O P2 Rh -","- C33 H45 O P2 Rh -","- C132 H180 O4 P8 Rh4 -","4","2","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0931","0.0593","","","0.1014","0.1146","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085794","14.8931","0.0019","20.025","0.003","21.472","0.003","90","","90","","90","","6403.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H47 O P2 Rh -","- C34 H47 O P2 Rh -","- C272 H376 O8 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0921","0.0398","","","0.0842","0.0948","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085795","11.879","0.0017","14.547","0.002","12.9966","0.0018","90","","114.323","0.002","90","","2046.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H56 F O P2 Rh -","- C45 H56 F O P2 Rh -","- C90 H112 F2 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0528","0.0463","","","0.1132","0.1179","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085796","11.8677","0.0004","14.5318","0.0005","13.01","0.0005","90","","114.51","","90","","2041.51","0.13","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H55 F2 O P2 Rh -","- C45 H55 F2 O P2 Rh -","- C90 H110 F4 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.026","0.023","","","0.0564","0.0578","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085797","9.6438","0.0004","18.7522","0.0008","18.577","0.0008","90","","96.262","0.001","90","","3339.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 B O3 P2 Rh -","- C33 H52 B O3 P2 Rh -","- C132 H208 B4 O12 P8 Rh4 -","4","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0705","0.0543","","","0.0866","0.093","","","","","","1.173","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085798","11.2113","0.0004","19.4389","0.0005","19.7875","0.0007","90","","90.492","0.003","90","","4312.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HAl(CH2SiMe3)2","","","- C24 H69 Al3 Si6 -","- C24 H69 Al3 Si6 -","- C96 H276 Al12 Si24 -","4","1","","Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes","Organometallics","2015","34","11","2667","","10.1021/acs.organomet.5b00013","","","0.71073","MoKα","","0.1008","0.0864","","","0.1476","0.1531","","","","","","1.296","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085799","23.8229","0.0016","14.5891","0.001","19.8584","0.0013","90","","108.063","0.001","90","","6561.7","0.8","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cp14Y6H3Cl / Cp15Y6H3","","","- C78.18 H82.18 Cl0.76 Y6 -","- C78.185 H82.185 Cl0.763 Y6 -","- C312.74 H328.74 Cl3.052 Y24 -","4","1","","Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes","Organometallics","2015","34","11","2667","","10.1021/acs.organomet.5b00013","","","0.71073","MoKα","","0.0661","0.0482","","","0.12","0.1337","","","","","","1.082","","","","has coordinates,has disorder","141388","2020-10-21","18:00:00",""
"4085800","13.6404","0.0006","16.3355","0.0005","8.7648","0.0004","90","","99.154","0.003","90","","1928.12","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","[Me,HAlMes*]","","","- C38 H66 Al2 -","- C38 H66 Al2 -","- C76 H132 Al4 -","2","0.5","","Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes","Organometallics","2015","34","11","2667","","10.1021/acs.organomet.5b00013","","","0.71073","MoKα","","0.0814","0.069","","","0.1505","0.1557","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085801","12.281","0.002","17.915","0.003","9.3816","0.0015","90","","103.824","0.006","90","","2004.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Al -","- C20 H35 Al -","- C80 H140 Al4 -","4","1","","Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes","Organometallics","2015","34","11","2667","","10.1021/acs.organomet.5b00013","","","0.71073","MoKα","","0.1029","0.0626","","","0.1632","0.1808","","","","","","1.024","","","","has coordinates,has disorder","141388","2020-10-21","18:00:00",""
"4085802","9.874","0.002","14.424","0.003","18.105","0.004","66.69","0.03","77.83","0.03","71.49","0.03","2234.8","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 B O2 P2 Pd -","- C56 H50 B O2 P2 Pd -","- C112 H100 B2 O4 P4 Pd2 -","2","1","","Schindler, Tobias; Lux, Marcel; Peters, Marius; Scharf, Lennart T.; Osseili, Hassan; Maron, Laurent; Tauchert, Michael E.","Synthesis and Reactivity of Palladium Complexes Featuring a Diphosphinoborane Ligand","Organometallics","2015","34","10","1978","","10.1021/acs.organomet.5b00217","","","0.71073","MOKα","","0.0508","0.0406","","","0.0951","0.1017","","","","","","1.055","","","","has coordinates","140183","2020-10-21","18:00:00",""
"4085803","19.511","0.004","15.966","0.003","17.786","0.004","90","","90","","90","","5541","2","100","","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H61 B O2 P2 Pd -","- C70 H61 B O2 P2 Pd -","- C280 H244 B4 O8 P8 Pd4 -","4","1","","Schindler, Tobias; Lux, Marcel; Peters, Marius; Scharf, Lennart T.; Osseili, Hassan; Maron, Laurent; Tauchert, Michael E.","Synthesis and Reactivity of Palladium Complexes Featuring a Diphosphinoborane Ligand","Organometallics","2015","34","10","1978","","10.1021/acs.organomet.5b00217","","","0.71073","MoKα","","0.0654","0.0449","","","0.1166","0.1391","","","","","","0.855","","","","has coordinates","140183","2020-10-21","18:00:00",""
"4085804","10.01","0.002","10.217","0.002","20.291","0.005","86.589","0.004","84.706","0.004","64.757","0.003","1868.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 B N P2 Pd -","- C47 H38 B N P2 Pd -","- C94 H76 B2 N2 P4 Pd2 -","2","1","","Schindler, Tobias; Lux, Marcel; Peters, Marius; Scharf, Lennart T.; Osseili, Hassan; Maron, Laurent; Tauchert, Michael E.","Synthesis and Reactivity of Palladium Complexes Featuring a Diphosphinoborane Ligand","Organometallics","2015","34","10","1978","","10.1021/acs.organomet.5b00217","","","0.71073","MoKα","","0.0614","0.0498","","","0.1132","0.1208","","","","","","1.04","","","","has coordinates","140183","2020-10-21","18:00:00",""
"4085805","30.663","0.002","17.1272","0.0009","26.0523","0.0019","90","","125.735","0.002","90","","11106","1.3","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H41 Ag3 F18 N15 P3 -","- C42 H41 Ag3 F18 N15 P3 -","- C336 H328 Ag24 F144 N120 P24 -","8","1","","Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.","From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands","Organometallics","2015","","","150410094812000","","10.1021/om5013067","","x-ray","0.71073","MoKα","","0.0395","0.0332","","","0.073","0.0781","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085806","15.0415","0.0007","26.4269","0.0012","23.8352","0.0012","90","","97.795","0.002","90","","9386.9","0.8","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Ag2 F12 N14 P2 -","- C42 H42 Ag2 F12 N14 P2 -","- C336 H336 Ag16 F96 N112 P16 -","8","2","","Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.","From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands","Organometallics","2015","","","150410094812000","","10.1021/om5013067","","","0.71073","MoKα","","0.0272","0.0224","","","0.057","0.0618","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085807","13.7359","0.0009","21.8166","0.0017","18.8472","0.0014","90","","92.09","0.002","90","","5644.2","0.7","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H49 Ag3 F18 N15 P3 -","- C46 H49 Ag3 F18 N15 P3 -","- C184 H196 Ag12 F72 N60 P12 -","4","1","","Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.","From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands","Organometallics","2015","","","150410094812000","","10.1021/om5013067","","x-ray","0.71073","MoKα","","0.0302","0.0252","","","0.0608","0.0637","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085808","13.3327","0.0002","24.2833","0.0004","14.452","0.0003","90","","104.262","0.0008","90","","4534.81","0.14","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Ag2 F12 N12 P2 -","- C42 H44 Ag2 F12 N12 P2 -","- C168 H176 Ag8 F48 N48 P8 -","4","1","","Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.","From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands","Organometallics","2015","","","150410094812000","","10.1021/om5013067","","","0.71073","MoKα","","0.0332","0.0304","","","0.0714","0.0732","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085809","12.6618","0.0004","13.2257","0.0004","15.6462","0.0006","79.455","0.002","66.86","0.001","70.499","0.002","2267.06","0.14","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H78 Ag4 F24 N20 P4 -","- C70 H78 Ag4 F24 N20 P4 -","- C70 H78 Ag4 F24 N20 P4 -","1","0.5","","Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E.","From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands","Organometallics","2015","","","150410094812000","","10.1021/om5013067","","x-ray","0.71073","MoKα","","0.0933","0.0533","","","0.1293","0.1454","","","","","","0.982","","","","has coordinates","136838","2020-10-21","18:00:00",""
"4085810","10.3814","0.0003","15.7638","0.001","14.7738","0.0008","90","","99.201","0.003","90","","2386.6","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cr O7 P -","- C24 H25 Cr O7 P -","- C96 H100 Cr4 O28 P4 -","4","1","","Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes","Organometallics","2015","34","11","2676","","10.1021/acs.organomet.5b00029","","","0.71073","MoKα","","0.0817","0.0415","","","0.0952","0.1066","","","","","","0.983","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085811","10.483","0.0002","15.8099","0.0003","14.8749","0.0003","90","","99.641","0.001","90","","2430.48","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Mo O7 P -","- C24 H25 Mo O7 P -","- C96 H100 Mo4 O28 P4 -","4","1","","Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes","Organometallics","2015","34","11","2676","","10.1021/acs.organomet.5b00029","","","0.71073","MoKα","","0.0373","0.0296","","","0.0666","0.0707","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085812","10.5554","0.0005","10.8531","0.0005","13.7433","0.0004","90.525","0.003","109.069","0.002","100.051","0.002","1461.47","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cr O7 P -","- C29 H27 Cr O7 P -","- C58 H54 Cr2 O14 P2 -","2","1","","Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes","Organometallics","2015","34","11","2676","","10.1021/acs.organomet.5b00029","","","0.71073","MoKα","","0.0538","0.0395","","","0.1043","0.1092","","","","","","1.018","","","","has coordinates","140219","2020-10-21","18:00:00",""
"4085813","12.0254","0.0005","13.6346","0.0008","17.2713","0.0008","89.966","0.003","85.428","0.003","83.274","0.003","2803.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Mo O7 P -","- C29 H27 Mo O7 P -","- C116 H108 Mo4 O28 P4 -","4","2","","Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes","Organometallics","2015","34","11","2676","","10.1021/acs.organomet.5b00029","","","0.71073","MoKα","","0.0971","0.0581","","","0.1326","0.1475","","","","","","1.033","","","","has coordinates","140219","2020-10-21","18:00:00",""
"4085814","14.861","0.002","9.02","0.002","25.302","0.005","90","","93.384","0.004","90","","3385.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 Al2 N4 -","- C32 H54 Al2 N4 -","- C128 H216 Al8 N16 -","4","0.5","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.1359","0.0678","","","0.146","0.1809","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085815","14.323","0.0013","12.9714","0.0013","13.7702","0.0013","90","","102.231","0.001","90","","2500.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Al2 N4 -","- C24 H34 Al2 N4 -","- C96 H136 Al8 N16 -","4","0.5","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0491","0.0403","","","0.1096","0.117","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085816","6.965","0.0011","8.7743","0.0014","25.862","0.004","90","","90","","90","","1580.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Al N2 -","- C15 H21 Al N2 -","- C60 H84 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0687","0.0419","","","0.0972","0.108","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085817","12.3588","0.0018","7.2202","0.0011","34.687","0.005","90","","91.231","0.002","90","","3094.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Al N2 -","- C17 H17 Al N2 -","- C136 H136 Al8 N16 -","8","2","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.1414","0.0687","","","0.1563","0.1882","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085818","9.5117","0.0008","12.111","0.001","15.6113","0.0013","90","","90","","90","","1798.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Al N2 -","- C19 H21 Al N2 -","- C76 H84 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0565","0.0431","","","0.1132","0.1245","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085819","11.8395","0.0009","12.5102","0.001","13.0265","0.0011","90","","90","","90","","1929.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Al N2 -","- C21 H25 Al N2 -","- C84 H100 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0663","0.0392","","","0.0868","0.0984","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085820","9.1613","0.0013","12.7665","0.0018","15.639","0.002","96.06","0.002","93.002","0.002","101.365","0.002","1778.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 Al N5 -","- C38 H48 Al N5 -","- C76 H96 Al2 N10 -","2","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.1295","0.0584","","","0.1348","0.1679","","","","","","0.993","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085821","24.4731","0.0007","6.0911","0.0002","27.5242","0.0009","90","","90.14","0.001","90","","4103","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl Fe N P -","- C23 H23 Cl Fe N P -","- C184 H184 Cl8 Fe8 N8 P8 -","8","2","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.085","0.0648","","","0.1423","0.1496","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085822","9.2765","0.0002","16.6175","0.0004","26.6771","0.0006","90","","90","","90","","4112.33","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Fe N2 O P -","- C24 H23 Fe N2 O P -","- C192 H184 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0607","0.0398","","","0.0904","0.0996","","","","","","1.026","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085823","8.7368","0.0003","13.4194","0.0004","42.4097","0.0012","90","","90","","90","","4972.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Fe N2 O P -","- C30 H27 Fe N2 O P -","- C240 H216 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0488","0.0368","","","0.0758","0.0797","","","","","","1.084","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085824","21.325","0.004","9.6896","0.0018","12.556","0.003","90","","97.847","0.008","90","","2570.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Fe N2 P S -","- C30 H27 Fe N2 P S -","- C120 H108 Fe4 N8 P4 S4 -","4","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0805","0.0532","","","0.1151","0.1266","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085825","11.0864","0.0003","12.4525","0.0003","16.3161","0.0005","107.38","0.001","92.885","0.001","91.505","0.001","2144.91","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H41 Cl7 Fe N3 O P Pd -","- C39 H39 Cl Fe N3 O P Pd -","- C78 H78 Cl2 Fe2 N6 O2 P2 Pd2 -","2","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0508","0.0391","","","0.0996","0.1034","","","","","","1.082","","","","has coordinates,has disorder","140185","2020-10-21","18:00:00",""
"4085826","11.0863","0.0003","11.7302","0.0003","13.1017","0.0003","109.703","0.001","98.686","0.001","106.659","0.001","1477.65","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H32 Cl Fe N2 O P Pd -","- C33 H32 Cl Fe N2 O P Pd -","- C66 H64 Cl2 Fe2 N4 O2 P2 Pd2 -","2","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0333","0.0257","","","0.0542","0.0572","","","","","","1.041","","","","has coordinates,has disorder","140185","2020-10-21","18:00:00",""
"4085827","7.3878","0.0004","8.0385","0.0004","8.3075","0.0004","61.135","0.002","80.954","0.002","63.766","0.002","386.57","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C18 H18 N2 O4 -","2","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0461","0.0401","","","0.1166","0.1225","","","","","","1.063","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4085828","5.008","0.002","7.133","0.003","11.538","0.004","99.455","0.013","99.158","0.014","101.021","0.014","391.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C16 H12 F6 N2 O2 -","2","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.1191","0.0612","","","0.142","0.169","","","","","","0.985","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4085829","30.314","0.01","17.467","0.006","23.257","0.008","90","","110.333","0.006","90","","11547","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H90 Ir N9 O0 -","- C108 H90 Ir N9 -","- C432 H360 Ir4 N36 -","4","1","","Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.","Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands","Organometallics","2015","34","15","3665","","10.1021/acs.organomet.5b00198","","","0.71073","MoKα","","0.0904","0.0502","","","0.1049","0.1188","","","","","","0.784","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085830","16.15","0.007","17.929","0.007","20.218","0.013","103.566","0.011","103.705","0.011","111.065","0.008","4966","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Ir N9 O0 -","- C108 H90 Ir N9 -","- C216 H180 Ir2 N18 -","2","1","","Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.","Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands","Organometallics","2015","34","15","3665","","10.1021/acs.organomet.5b00198","","","0.71073","MoKα","","0.1036","0.0641","","","0.1226","0.1388","","","","","","0.886","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085831","12.8657","0.0018","16.492","0.002","24.016","0.003","93.974","0.002","97.318","0.002","105.439","0.002","4843.4","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H90 Cl0 Ir N9 -","- C108 H90 Ir N9 -","- C216 H180 Ir2 N18 -","2","1","","Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.","Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands","Organometallics","2015","34","15","3665","","10.1021/acs.organomet.5b00198","","","0.71073","MoKα","","0.0633","0.0461","","","0.1091","0.1168","","","","","","0.908","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085832","19.517","0.012","20.162","0.011","21.31","0.013","90","","92.365","0.009","90","","8378","9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H84 Cl0 Ir N9 -","- C81 H84 Ir N9 -","- C324 H336 Ir4 N36 -","4","1","","Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.","Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands","Organometallics","2015","34","15","3665","","10.1021/acs.organomet.5b00198","","","0.71073","MoKα","","0.1872","0.0923","","","0.1995","0.2375","","","","","","0.843","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085833","12.464","0.004","19.911","0.006","22.805","0.01","109.212","0.007","98.188","0.007","105.377","0.005","4986","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H108 Cl6 Ir N9 -","- C116 H108 Cl6 Ir N9 -","- C232 H216 Cl12 Ir2 N18 -","2","1","","Feldman, Jerald; Vo, Giang D.; McLaren, Charles D.; Gehret, Troy C.; Park, Kyung-Ho; Meth, Jeffrey S.; Marshall, Will J.; Buriak, Joseph; Bryman, Lois M.; Dobbs, Kerwin D.; Scholz, Thomas H.; Zane, Steve G.","Highly Quantum Efficient Phosphorescent Sky Blue Emitters Based on Diastereomeric Iridium(III) Complexes of Atropisomeric 5-Aryl-4H-1,2,4-triazole Ligands","Organometallics","2015","34","15","3665","","10.1021/acs.organomet.5b00198","","","0.71073","MoKα","","0.0684","0.0521","","","0.1314","0.1413","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085834","5.6756","0.0007","17.576","0.002","9.7832","0.0012","90","","92.0789","0.0019","90","","975.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N O3 Re -","- C9 H12 N O3 Re -","- C36 H48 N4 O12 Re4 -","4","1","","Boucher-Jacobs, Camille; Nicholas, Kenneth M.","Oxo-Rhenium-Catalyzed Deoxydehydration of Polyols with Hydroaromatic Reductants","Organometallics","2015","34","10","1985","","10.1021/acs.organomet.5b00226","","","0.71073","MoKα","","0.0171","0.0162","","","0.0471","0.0476","","","","","","1.012","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4085835","8.7398","0.0016","29.69","0.005","15.217","0.003","90","","101.07","0.004","90","","3875.1","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Ga Li O2 Si2 -","- C36 H66 Ga Li O2 Si2 -","- C144 H264 Ga4 Li4 O8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An Isolable Anionic Gallabenzene: Synthesis and Characterization","Organometallics","2015","34","10","1806","","10.1021/acs.organomet.5b00310","","","0.71075","MoKα","","0.0888","0.0633","","","0.1434","0.1598","","","","","","1.08","","","","has coordinates","140187","2020-10-21","18:00:00",""
"4085836","13","0.002","28.938","0.005","13.964","0.002","90","","108.411","0.002","90","","4984.3","1.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 Ga Li O6 Si2 -","- C44 H86 Ga Li O6 Si2 -","- C176 H344 Ga4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An Isolable Anionic Gallabenzene: Synthesis and Characterization","Organometallics","2015","34","10","1806","","10.1021/acs.organomet.5b00310","","","0.71075","MoKα","","0.0825","0.061","","","0.1425","0.1605","","","","","","1.085","","","","has coordinates","140187","2020-10-21","18:00:00",""
"4085837","14.1431","0.0016","13.6702","0.0014","17.1961","0.0019","90","","112.42","0.0013","90","","3073.4","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Cl Ga N Si2 -","- C28 H51 Cl Ga N Si2 -","- C112 H204 Cl4 Ga4 N4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An Isolable Anionic Gallabenzene: Synthesis and Characterization","Organometallics","2015","34","10","1806","","10.1021/acs.organomet.5b00310","","","0.71075","MoKα","","0.0436","0.0351","","","0.0794","0.0838","","","","","","1.082","","","","has coordinates","140187","2020-10-21","18:00:00",""
"4085838","17.5141","0.0007","14.3683","0.0006","23.0704","0.0009","90","","90","","90","","5805.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H52 N2 Os P2 -","- C27 H52 N2 Os P2 -","- C216 H416 N16 Os8 P16 -","8","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0308","0.0202","","","0.0423","0.0441","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085839","15.461","0.004","17.256","0.004","11.892","0.003","90","","100.563","0.003","90","","3119","1.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C54 H110 N2 Os2 P4 -","- C54 H110 N2 Os2 P4 -","- C108 H220 N4 Os4 P8 -","2","0.5","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0372","0.0298","","","0.0696","0.0731","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085840","8.3427","0.0017","18.809","0.004","18.266","0.004","90","","90","","90","","2866.3","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H51 N Os P2 S -","- C27 H48 N Os P2 S -","- C108 H192 N4 Os4 P8 S4 -","4","0.5","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.042","0.0335","","","0.0609","0.0622","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085841","10.1952","0.0006","16.2072","0.001","19.8843","0.0012","90","","104.025","0.001","90","","3187.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 N Os P2 S -","- C31 H50.12 N Os P2 S -","- C124 H200.48 N4 Os4 P8 S4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0604","0.0428","","","0.0746","0.0806","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085842","9.6031","0.0013","14.944","0.002","17.795","0.002","90","","90","","90","","2553.7","0.6","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cl N3 Ta -","- C26 H35 Cl N3 Ta -","- C104 H140 Cl4 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0276","0.0248","","","0.0544","0.0555","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085843","14.278","0.002","25.977","0.004","11.9948","0.0018","90","","100.324","0.002","90","","4376.8","1.1","125","2","125","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48.5 H58 N3 Ta -","- C48.5 H58 N3 Ta -","- C194 H232 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0778","0.0513","","","0.0915","0.1004","","","","","","1.003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085844","15.093","0.003","11.3005","0.0019","16.072","0.003","90","","111.135","0.002","90","","2556.8","0.8","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N3 Ta -","- C27 H38 N3 Ta -","- C108 H152 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0439","0.0284","","","0.0541","0.0594","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085845","8.2335","0.0016","14.005","0.003","22.975","0.005","90","","92.52","0.003","90","","2646.7","1","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N3 Ta -","- C28 H40 N3 Ta -","- C112 H160 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0651","0.0372","","","0.0673","0.076","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085846","18.3491","0.0016","8.2356","0.0007","18.4468","0.0017","90","","98.977","0.001","90","","2753.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 N3 Ta -","- C29 H42 N3 Ta -","- C116 H168 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.072","0.0395","","","0.0713","0.0797","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085847","9.2501","0.0019","11.644","0.002","13.988","0.003","91.261","0.003","101.672","0.003","105.295","0.003","1418.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N3 Ta -","- C30 H44 N3 Ta -","- C60 H88 N6 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0332","0.0253","","","0.0528","0.0562","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085848","9.8935","0.0019","11.596","0.002","13.552","0.003","91.385","0.003","106.725","0.003","98.74","0.003","1467.9","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 N3 Ta -","- C31 H46 N3 Ta -","- C62 H92 N6 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0301","0.025","","","0.0544","0.0564","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085849","8.1186","0.0007","11.0365","0.0009","16.5384","0.0017","107.453","0.001","93.685","0.001","108.784","0.001","1316.9","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 B N3 Ta -","- C26 H39 B N3 Ta -","- C52 H78 B2 N6 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0205","0.019","","","0.048","0.0487","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085850","12.652","0.003","12.661","0.003","15.517","0.004","90","","102.655","0.004","90","","2425.2","1","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 N3 Ta -","- C26 H34 N3 Ta -","- C104 H136 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0484","0.0304","","","0.0611","0.0672","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085851","7.6995","0.0007","16.9002","0.0016","19.9505","0.0019","109.215","0.001","93.415","0.001","101.012","0.001","2385.2","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl2 N2 Ta -","- C24 H29 Cl2 N2 Ta -","- C96 H116 Cl8 N8 Ta4 -","4","2","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0833","0.044","","","0.0733","0.0824","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085852","13.4946","0.0013","9.9492","0.001","18.1475","0.0018","90","","101.94","0.001","90","","2383.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N2 Ta -","- C26 H35 N2 Ta -","- C104 H140 N8 Ta4 -","4","0.5","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0206","0.0176","","","0.0384","0.0394","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085853","8.3648","0.0012","11.9259","0.0016","14.1706","0.0019","81","0.002","74.04","0.002","72.405","0.002","1291.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H39 N2 Ta -","- C28 H39 N2 Ta -","- C56 H78 N4 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0588","0.0403","","","0.0651","0.0705","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085854","9.268","0.009","10.54","0.01","14.868","0.014","101.431","0.013","93.462","0.013","99.112","0.014","1399","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H43 N2 Ta -","- C30 H43 N2 Ta -","- C60 H86 N4 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0457","0.0387","","","0.1054","0.1101","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085855","9.566","0.004","10.824","0.004","15.35","0.006","76.545","0.005","83.679","0.005","80.275","0.005","1519.4","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H47 N2 Ta -","- C32 H47 N2 Ta -","- C64 H94 N4 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0387","0.0279","","","0.055","0.0586","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085856","11.397","0.003","12.209","0.003","12.874","0.003","84.03","0.003","85.101","0.004","63.744","0.003","1596.3","0.7","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H51 N2 Ta -","- C34 H51 N2 Ta -","- C68 H102 N4 Ta2 -","2","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0439","0.032","","","0.0609","0.0646","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085857","9.5686","0.0016","12.125","0.002","22.251","0.004","90","","90","","90","","2581.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N2 Ta -","- C29 H39 N2 Ta -","- C116 H156 N8 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0534","0.0375","","","0.0602","0.0653","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085858","13.0624","0.0004","17.4265","0.0006","18.2398","0.0006","111.9","0.003","103.013","0.003","98.662","0.003","3624.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H83 Cl6 N4 O14 Ru3 S12 -","- C55 H83 Cl6 N4 O14 Ru3 S12 -","- C110 H166 Cl12 N8 O28 Ru6 S24 -","2","1","","Yeung, Chi-Fung; Chung, Lai-Hon; Lo, Hoi-Shing; Chiu, Chun-Hong; Cai, Jialin; Wong, Chun-Yuen","Isolation of Ruthenium‒Indoline and −Indole Zwitterion Complexes: Insight into the Metal-Induced Cyclization of Aniline-Tethered Alkynes and Strategy to Lower the Activation Barrier of Metal−Vinylidene Formation","Organometallics","2015","34","10","1963","","10.1021/acs.organomet.5b00211","","","1.54178","CuKα","","0.0597","0.0545","","","0.1494","0.1579","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085859","10.6659","0.001","15.0024","0.0014","15.2321","0.0015","100.401","0.0011","106.995","0.0012","97.673","0.0011","2247.2","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H70 Ir N2 O0.5 P2 -","- C47 H70 Ir N2 O0.5 P2 -","- C94 H140 Ir2 N4 O P4 -","2","1","","Chang, Yung-Hung; Takeuchi, Katsuhiko; Wakioka, Masayuki; Ozawa, Fumiyuki","C‒H Bond Cleavage of Acetonitrile by Iridium Complexes Bearing PNP-Pincer-Type Phosphaalkene Ligands","Organometallics","2015","34","10","1957","","10.1021/acs.organomet.5b00207","","","0.71075","MoKα","","0.0227","0.0205","","","0.0477","0.0487","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085860","15.021","0.013","16.507","0.015","20.16","0.02","90","0.008","96.747","0.009","90","0.008","4964","8","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H75 Ir K N3 O P2 -","- C51 H75 Ir K N3 O P2 -","- C204 H300 Ir4 K4 N12 O4 P8 -","4","1","","Chang, Yung-Hung; Takeuchi, Katsuhiko; Wakioka, Masayuki; Ozawa, Fumiyuki","C‒H Bond Cleavage of Acetonitrile by Iridium Complexes Bearing PNP-Pincer-Type Phosphaalkene Ligands","Organometallics","2015","34","10","1957","","10.1021/acs.organomet.5b00207","","","0.71075","MoKα","","0.1112","0.0828","","","0.1918","0.22","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085861","8.171","0.004","8.51","0.004","17.361","0.009","84.908","0.014","78.493","0.014","71.147","0.013","1119.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F3 N3 O3 S -","- C24 H18 F3 N3 O3 S -","- C48 H36 F6 N6 O6 S2 -","2","1","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.2239","0.1538","","","0.402","0.4496","","","","","","1.584","","","","has coordinates","140191","2020-10-21","18:00:00",""
"4085862","6.6823","0.0005","10.2458","0.0007","15.2629","0.0012","101.865","0.003","94.756","0.003","102.022","0.003","991.56","0.13","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 N3 O3 S -","- C19 H16 F3 N3 O3 S -","- C38 H32 F6 N6 O6 S2 -","2","1","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.1084","0.0643","","","0.1595","0.1769","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085863","14.318","0.002","8.6503","0.0013","33.597","0.004","90","","91.183","0.004","90","","4160.3","1","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 F3 N3 O3 S -","- C18 H22 F3 N3 O3 S -","- C144 H176 F24 N24 O24 S8 -","8","2","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.1683","0.0889","","","0.2185","0.266","","","","","","1.021","","","","has coordinates","140191","2020-10-21","18:00:00",""
"4085864","10.312","0.0014","14.69","0.002","18.316","0.002","92.961","0.009","101.713","0.009","106.106","0.009","2592.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F3 N3 O3 S -","- C27 H24 F3 N3 O3 S -","- C108 H96 F12 N12 O12 S4 -","4","2","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.1484","0.0931","","","0.2474","0.2842","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085865","11.3517","0.0011","28.091","0.003","11.6047","0.0013","90","","90.844","0.003","90","","3700.1","0.7","165","2","165","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Cl7 N3 Rh2 -","- C31 H42 Cl7 N3 Rh2 -","- C124 H168 Cl28 N12 Rh8 -","4","1","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.0713","0.0424","","","0.0866","0.0962","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085866","13.6351","0.0009","13.7598","0.001","21.4522","0.0015","90","","98.599","0.004","90","","3979.5","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Cl2 F12 N6 O12 Rh2 S4 -","- C70 H66 Cl2 F12 N6 O12 Rh2 S4 -","- C140 H132 Cl4 F24 N12 O24 Rh4 S8 -","2","0.5","","Thenarukandiyil, Ranjeesh; Choudhury, Joyanta","Rhodium(III)-Catalyzed Activation and Functionalization of Pyridine C‒H Bond by Exploring a Unique Double Role of “N-Heterocyclic Carbene‒Pyridyl” Ligand Platform","Organometallics","2015","34","10","1890","","10.1021/acs.organomet.5b00157","","","0.71073","MoKα","","0.269","0.1138","","","0.2608","0.3422","","","","","","1.046","","","","has coordinates","140191","2020-10-21","18:00:00",""
"4085867","26.5254","0.0006","12.2152","0.0003","20.8342","0.0005","90","","90","","90","","6750.6","0.3","123","","123","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H31 Ag2 F12 N9 O2 P2 -","- C22 H31 Ag2 F12 N9 O2 P2 -","- C176 H248 Ag16 F96 N72 O16 P16 -","8","2","","Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.","Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study","Organometallics","2015","","","150128111349001","","10.1021/om5012402","","x-ray","0.71073","MoKα","","0.0365","0.0325","","","0.0775","0.0795","","","","","","1.054","","","","has coordinates,has disorder","136850","2020-10-21","18:00:00",""
"4085868","12.5412","0.0004","12.1285","0.0003","21.8264","0.0006","90","","94.959","0.001","90","","3307.5","0.16","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cu2 F12 N9 O2 P2 -","- C22 H31 Cu2 F12 N9 O2 P2 -","- C88 H124 Cu8 F48 N36 O8 P8 -","4","1","","Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.","Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study","Organometallics","2015","","","150128111349001","","10.1021/om5012402","","x-ray","0.71073","MoKα","","0.0413","0.0354","","","0.08","0.0836","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085869","13.346","0.0004","15.9879","0.0004","16.7956","0.0005","90","","90","","90","","3583.75","0.18","123","","123","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C20 H28 Au2 F12 N8 O3 P2 -","- C20 H28 Au2 F12 N8 O3 P2 -","- C80 H112 Au8 F48 N32 O12 P8 -","4","0.5","","Zhong, Rui; Pöthig, Alexander; Mayer, David C.; Jandl, Christian; Altmann, Philipp J.; Herrmann, Wolfgang A.; Kühn, Fritz E.","Spectroscopic and Structural Properties of Bridge-Functionalized Dinuclear Coinage-Metal (Cu, Ag, and Au) NHC Complexes: A Comparative Study","Organometallics","2015","","","150128111349001","","10.1021/om5012402","","x-ray","0.71073","MoKα","","0.0143","0.0133","","","0.0292","0.0295","","","","","","1.068","","","","has coordinates","136850","2020-10-21","18:00:00",""
"4085870","13.2282","0.0018","7.2984","0.0009","28.596","0.004","90","","99.75","0.007","90","","2720.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(SiNN)Rh(COE)","","","- C31 H43 N2 Rh Si -","- C31 H43 N2 Rh Si -","- C124 H172 N8 Rh4 Si4 -","4","1","","Lee, Chun-I; Hirscher, Nathanael A.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Adaptability of the SiNN Pincer Ligand in Iridium and Rhodium Complexes Relevant to Borylation Catalysis","Organometallics","2015","34","13","3099","","10.1021/acs.organomet.5b00125","","","1.54178","CuKα","","0.0517","0.0446","","","0.1107","0.1142","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085871","12.013","0.002","18.428","0.003","18.279","0.003","90","","105.157","0.002","90","","3905.8","1.1","110","2","110.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 B2 N2 O4 Rh Si -","- C35 H52 B2 N2 O4 Rh Si -","- C140 H208 B8 N8 O16 Rh4 Si4 -","4","1","","Lee, Chun-I; Hirscher, Nathanael A.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Adaptability of the SiNN Pincer Ligand in Iridium and Rhodium Complexes Relevant to Borylation Catalysis","Organometallics","2015","34","13","3099","","10.1021/acs.organomet.5b00125","","","0.71073","MoKα","","0.0565","0.0425","","","0.1066","0.1165","","","","","","1.033","","","","has coordinates,has disorder","152892","2020-10-21","18:00:00",""
"4085872","10.6199","0.0007","10.9083","0.0007","15.8956","0.001","101.146","0.005","98.988","0.005","115.111","0.004","1576","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F12 Fe N9 P2 -","- C26 H27 F12 Fe N9 P2 -","- C52 H54 F24 Fe2 N18 P4 -","2","1","","Klawitter, Iris; Anneser, Markus R.; Dechert, Sebastian; Meyer, Steffen; Demeshko, Serhiy; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.; Meyer, Franc","Iron Complexes of a Macrocyclic N-Heterocyclic Carbene/Pyridine Hybrid Ligand","Organometallics","2015","34","12","2819","","10.1021/acs.organomet.5b00103","","","0.71073","MoKα","","0.0891","0.0609","","","0.1409","0.1534","","","","","","1.035","","","","has coordinates,has disorder","140208","2020-10-21","18:00:00",""
"4085873","22.3225","0.0006","10.1219","0.0003","27.9108","0.0008","90","","100.537","0.001","90","","6200","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H97 Ga2 In N4 -","- C64 H97 Ga2 In N4 -","- C256 H388 Ga8 In4 N16 -","4","1","","Ganesamoorthy, Chelladurai; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition Reaction of Gallanediyl LGa and InEt3","Organometallics","2015","34","12","2991","","10.1021/acs.organomet.5b00302","","","0.71073","MoKα","","0.0829","0.047","","","0.0927","0.1143","","","","","","1.14","","","","has coordinates","140200","2020-10-21","18:00:00",""
"4085874","10.3085","0.0005","15.8971","0.0007","16.0446","0.0007","87.632","0.001","80.849","0.001","87.754","0.001","2592.2","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H84 Ga In N4 -","- C53 H84 Ga In N4 -","- C106 H168 Ga2 In2 N8 -","2","1","","Ganesamoorthy, Chelladurai; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition Reaction of Gallanediyl LGa and InEt3","Organometallics","2015","34","12","2991","","10.1021/acs.organomet.5b00302","","","0.71073","MoKα","","0.0324","0.0248","","","0.0578","0.0641","","","","","","1.087","","","","has coordinates","140200","2020-10-21","18:00:00",""
"4085875","38.8272","0.0014","9.7127","0.0004","22.7459","0.0008","90","","124.448","0.002","90","","7073.6","0.5","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H56 Ga In N2 -","- C35 H56 Ga In N2 -","- C280 H448 Ga8 In8 N16 -","8","1","","Ganesamoorthy, Chelladurai; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis of Heterobimetallic Group 13 Compounds via Oxidative Addition Reaction of Gallanediyl LGa and InEt3","Organometallics","2015","34","12","2991","","10.1021/acs.organomet.5b00302","","","0.71073","MoKα","","0.0606","0.0332","","","0.075","0.0903","","","","","","1.061","","","","has coordinates,has disorder","140200","2020-10-21","18:00:00",""
"4085876","9.875","0.005","10.911","0.005","11.398","0.005","113.929","0.005","101.078","0.005","104.688","0.005","1023.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N Si2 -","- C20 H25 N Si2 -","- C40 H50 N2 Si4 -","2","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.0661","0.0393","","","0.0834","0.088","","","","","","0.888","","","","has coordinates","154753","2020-10-21","18:00:00",""
"4085877","14.247","0.005","10.234","0.005","24.15","0.005","90","","90","","90","","3521","2","109.95","0.1","109.95","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N Si2 -","- C15 H23 N Si2 -","- C120 H184 N8 Si16 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.059","0.0419","","","0.096","0.102","","","","","","1.033","","","","has coordinates","154753","2020-10-21","18:00:00",""
"4085878","9.6703","0.0002","25.2992","0.0005","22.635","0.0005","90","","94.25","0.002","90","","5522.4","0.2","105","0.1","105","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Fe2 O P4 -","- C70 H60 Fe2 O P4 -","- C280 H240 Fe8 O4 P16 -","4","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","1.54184","CuKα","","0.0541","0.0489","","","0.1247","0.1282","","","","","","1.015","","","","has coordinates","154753","2020-10-21","18:00:00",""
"4085879","9.8267","0.0002","25.4997","0.0005","22.3763","0.0006","90","","92.369","0.002","90","","5602.2","0.2","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Fe2 P4 S -","- C70 H60 Fe2 P4 S -","- C280 H240 Fe8 P16 S4 -","4","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.0912","0.0548","","","0.1217","0.1344","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085880","16.8002","0.0005","15.724","0.0004","22.0975","0.0007","90","","104.717","0.003","90","","5645.9","0.3","102.7","0.2","102.7","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 P4 Ru2 S -","- C70 H60 P4 Ru2 S -","- C280 H240 P16 Ru8 S4 -","4","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.0651","0.0495","","","0.1306","0.1416","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085881","25.813","0.003","25.813","0.003","36.552","0.004","90","","90","","90","","24355","5","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C104 H60 B2 Cu2 F48 N10 -","- C104 H60 B2 Cu2 F48 N10 -","- C832 H480 B16 Cu16 F384 N80 -","8","0.5","","Saha, Sayantani; Kaur, Mandeep; Bera, Jitendra K.","Fluorinated Anions Promoted “on Water” Activity of Di- and Tetranuclear Copper(I) Catalysts for Functional Triazole Synthesis","Organometallics","2015","34","12","3047","","10.1021/acs.organomet.5b00348","","","0.71073","MoKα","","0.1205","0.0853","","","0.2177","0.2403","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085882","12.4419","0.0005","15.8174","0.0006","18.9305","0.0007","79.332","0.001","71.649","0.001","80.777","0.001","3454.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H66 B4 Cl4 Cu4 F60 N18 -","- C134 H66 B4 Cl4 Cu4 F60 N18 -","- C134 H66 B4 Cl4 Cu4 F60 N18 -","1","0.5","","Saha, Sayantani; Kaur, Mandeep; Bera, Jitendra K.","Fluorinated Anions Promoted “on Water” Activity of Di- and Tetranuclear Copper(I) Catalysts for Functional Triazole Synthesis","Organometallics","2015","34","12","3047","","10.1021/acs.organomet.5b00348","","","0.71073","MoKα","","0.1316","0.0597","","","0.1165","0.1326","","","","","","0.95","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085883","15.1795","0.0003","17.153","0.0003","20.6229","0.0005","90","","102.249","0.002","90","","5247.42","0.19","123.3","","123.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H83 Cl2 N6 Ru2 -","- C51 H83 Cl2 N6 Ru2 -","- C204 H332 Cl8 N24 Ru8 -","4","1","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","0.71073","MoKα","","0.0587","0.039","","","0.0868","0.0974","","","","","","1.032","","","","has coordinates","140207","2020-10-21","18:00:00",""
"4085884","12.2259","0.0005","11.0068","0.0004","22.6373","0.0009","90","","101.515","0.004","90","","2984.9","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 Cl N3 -","- C13 H22 Cl N3 -","- C104 H176 Cl8 N24 -","8","2","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","1.5418","CuKα","","0.0529","0.0408","","","0.1008","0.1092","","","","","","1.036","","","","has coordinates","140207","2020-10-21","18:00:00",""
"4085885","10.7547","0.0006","12.9415","0.0005","12.9594","0.0007","104.333","0.004","113.222","0.005","106.639","0.004","1449","0.17","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H21 Cl F N3 -","- C13 H21 Cl F N3 -","- C52 H84 Cl4 F4 N12 -","4","2","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","1.5418","CuKα","","0.0448","0.0343","","","0.082","0.088","","","","","","1.022","","","","has coordinates","140207","2020-10-21","18:00:00",""
"4085886","11.9476","0.0002","11.5524","0.0001","12.4208","0.0002","90","","114.343","0.002","90","","1561.94","0.05","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl2 N3 -","- C13 H21 Cl2 N3 -","- C52 H84 Cl8 N12 -","4","1","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","1.5418","CuKα","","0.0464","0.0355","","","0.0892","0.0967","","","","","","1.036","","","","has coordinates","140207","2020-10-21","18:00:00",""
"4085887","33.7429","0.0006","7.9777","0.0001","19.4794","0.0003","90","","90","","90","","5243.67","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24.5 H34 Cl2 N4 Ru -","- C24.5 H34 Cl2 N4 Ru -","- C196 H272 Cl16 N32 Ru8 -","8","1","","Menéndez-Rodr\?íguez, Luc\?ía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","1.5418","CuKα","","0.0632","0.0491","","","0.1241","0.1358","","","","","","1.033","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4085888","40.2601","0.0014","8.9068","0.0002","26.5375","0.0006","90","","105.209","0.003","90","","9182.7","0.5","123.3","","123.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H62 Cl N6 Ru -","- C47 H62 Cl N6 Ru -","- C376 H496 Cl8 N48 Ru8 -","8","1","","Menéndez-Rodríguez, Lucía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando","Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes","Organometallics","2015","34","12","2796","","10.1021/acs.organomet.5b00070","","","0.71073","MoKα","","0.1022","0.0783","","","0.1631","0.1754","","","","","","1.201","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4085889","9.7051","0.0008","11.1892","0.0009","21.498","0.0019","89.563","0.002","77.673","0.002","65.273","0.002","2062.8","0.3","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 Cl3 Cr Li N3 O2 -","- C43 H52 Cl3 Cr Li N3 O2 -","- C86 H104 Cl6 Cr2 Li2 N6 O4 -","2","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.142","0.0756","","","0.1711","0.2327","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085890","11.7689","0.001","15.0736","0.0013","16.3364","0.0013","77.712","0.002","78.893","0.002","73.836","0.002","2692.1","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl Cr N6 -","- C56 H56 Cl Cr N6 -","- C112 H112 Cl2 Cr2 N12 -","2","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.1652","0.0996","","","0.2837","0.341","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085891","27.803","0.004","12.3863","0.0019","8.4728","0.0014","90","","90","","90","","2917.8","0.8","185","2","185","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H36 Cl Cr N3 O -","- C32 H36 Cl Cr N3 O -","- C128 H144 Cl4 Cr4 N12 O4 -","4","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.1035","0.0644","","","0.0987","0.1127","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085892","10.1274","0.0008","10.6484","0.0008","13.9604","0.001","102.517","0.001","90.177","0.001","94.33","0.001","1465.23","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Cl8 Cr2 N6 -","- C58 H60 Cl8 Cr2 N6 -","- C58 H60 Cl8 Cr2 N6 -","1","0.5","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.0565","0.046","","","0.1264","0.1438","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085893","11.4765","0.0006","11.8921","0.0006","14.274","0.0007","87.284","0.001","88.082","0.001","66.846","0.001","1788.95","0.16","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Cl3 Cr Li N3 O2 -","- C36 H44 Cl3 Cr Li N3 O2 -","- C72 H88 Cl6 Cr2 Li2 N6 O4 -","2","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.0461","0.0394","","","0.1066","0.1138","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085894","8.808","0.002","12.442","0.003","15.698","0.004","82.573","0.004","83.879","0.005","73.814","0.004","1633.8","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cl2 Cr N3 O -","- C36 H44 Cl2 Cr N3 O -","- C72 H88 Cl4 Cr2 N6 O2 -","2","1","","Hao, Zhiqiang; Xu, Bin; Gao, Wei; Han, Yuxi; Zeng, Guang; Zhang, Jingshun; Li, Guanghua; Mu, Ying","Chromium Complexes withN,N,N-Tridentate Quinolinyl Anilido-Imine Ligand: Synthesis, Characterization, and Catalysis in Ethylene Polymerization","Organometallics","2015","34","12","2783","","10.1021/acs.organomet.5b00247","","","0.71073","MoKα","","0.145","0.1281","","","0.3579","0.3706","","","","","","1.142","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085895","11.3057","0.0002","17.0862","0.0003","11.6872","0.0002","90","","98.018","0.001","90","","2235.56","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1 in manuscript","","","- C16 H26 Cl4 N4 Pt -","- C16 H26 Cl4 N4 Pt -","- C64 H104 Cl16 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0696","0.0338","","","0.0582","0.0671","","","","","","0.99","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085896","7.7329","0.0003","19.5535","0.0007","8.6729","0.0003","90","","99.78","0.001","90","","1292.33","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2b in manuscript","","","- C11 H18 N4 Pt -","- C11 H18 N4 Pt -","- C44 H72 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0305","0.0248","","","0.0621","0.0648","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085897","11.351","0.002","16.151","0.003","11.594","0.002","90","","90","","90","","2125.5","0.7","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","2c in manuscript","","","- C19 H34 N4 O Pt -","- C19 H34 N4 O Pt -","- C76 H136 N16 O4 Pt4 -","4","0.5","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0412","0.0334","","","0.0952","0.1005","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085898","7.8518","0.0001","16.1316","0.0002","12.4318","0.0001","90","","94.061","0.001","90","","1570.68","0.03","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C12 H20 Cl2 N4 Pt -","- C12 H20 Cl1.732 N4 Pt -","- C48 H80 Cl6.928 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0633","0.0497","","","0.0943","0.0973","","","","","","1.381","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085899","13.4387","0.0001","13.4387","0.0001","14.6891","0.0002","90","","90","","90","","2652.83","0.05","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","5a in manuscript","","","- C25 H46 N4 Pt -","- C25 H46 N4 Pt -","- C100 H184 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0208","0.0169","","","0.0365","0.0377","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085900","10.4963","0.0001","12.7145","0.0001","17.5964","0.0002","88.63","0.001","80.844","0.001","69.163","0.001","2165.42","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5b in manuscript","","","- C19 H34 N4 Pt -","- C19 H34 N4 Pt -","- C76 H136 N16 Pt4 -","4","2","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0993","0.0483","","","0.0869","0.1048","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085901","11.2262","0.0002","17.1118","0.0001","12.0313","0.0002","90","","98.085","0.001","90","","2288.25","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6 in manuscript","","","- C17 H29 Cl3 N4 Pt -","- C17 H29 Cl3 N4 Pt -","- C68 H116 Cl12 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0557","0.0291","","","0.053","0.0595","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085902","9.2781","0.0007","18.3245","0.0013","14.9243","0.0011","90","","99.323","0.001","90","","2503.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7 in manuscript","","","- C21 H37 Cl3 N4 Pt -","- C21 H37 Cl3 N4 Pt -","- C84 H148 Cl12 N16 Pt4 -","4","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0226","0.0189","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085903","7.768","0.0009","9.1767","0.001","15.6178","0.0018","84.458","0.002","78.385","0.002","73.952","0.002","1047","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8 in manuscript","","","- C20 H36 N4 O Pt -","- C20 H36 N4 O Pt -","- C40 H72 N8 O2 Pt2 -","2","1","","Brendel, Matthias; Engelke, René; Desai, Vidya G.; Rominger, Frank; Hofmann, Peter","Synthesis and Reactivity of Platinum(II)cis-Dialkyl,cis-Alkyl Chloro, andcis-Alkyl Hydrido Bis-N-heterocyclic Carbene Chelate Complexes","Organometallics","2015","34","12","2870","","10.1021/acs.organomet.5b00204","","","0.71073","MoKα","","0.0296","0.0272","","","0.064","0.0648","","","","","","1.145","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085904","9.62126","0.00017","18.4902","0.0004","20.0628","0.0005","90","","90","","90","","3569.15","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 Cl4 Ni O P2 -","- C38 H30 Cl4 Ni O P2 -","- C152 H120 Cl16 Ni4 O4 P8 -","4","1","","Saes, Bartholomeus W. H.; Verhoeven, Dide G. A.; Lutz, Martin; Klein Gebbink, Robertus J. M.; Moret, Marc-Etienne","Coordination of a Diphosphine‒Ketone Ligand to Ni(0), Ni(I), and Ni(II): Reduction-Induced Coordination","Organometallics","2015","34","12","2710","","10.1021/acs.organomet.5b00264","","","0.71073","MoKα","","0.0314","0.0292","","","0.0831","0.0846","","","","","","1.044","","","","has coordinates","140210","2020-10-21","18:00:00",""
"4085905","18.7117","0.0007","11.2342","0.0004","15.8601","0.0005","90","","110.302","0.002","90","","3126.85","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 Ni O P2 -","- C37 H28 Cl2 Ni O P2 -","- C148 H112 Cl8 Ni4 O4 P8 -","4","1","","Saes, Bartholomeus W. H.; Verhoeven, Dide G. A.; Lutz, Martin; Klein Gebbink, Robertus J. M.; Moret, Marc-Etienne","Coordination of a Diphosphine‒Ketone Ligand to Ni(0), Ni(I), and Ni(II): Reduction-Induced Coordination","Organometallics","2015","34","12","2710","","10.1021/acs.organomet.5b00264","","","0.71073","MoKα","","0.0255","0.0222","","","0.0561","0.0576","","","","","","1.039","","","","has coordinates","140210","2020-10-21","18:00:00",""
"4085906","9.8635","0.0003","35.4023","0.0014","17.372","0.0005","90","","93.34","0.001","90","","6055.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 Cl Ni O P2 -","- C37 H28 Cl Ni O P2 -","- C296 H224 Cl8 Ni8 O8 P16 -","8","2","","Saes, Bartholomeus W. H.; Verhoeven, Dide G. A.; Lutz, Martin; Klein Gebbink, Robertus J. M.; Moret, Marc-Etienne","Coordination of a Diphosphine‒Ketone Ligand to Ni(0), Ni(I), and Ni(II): Reduction-Induced Coordination","Organometallics","2015","34","12","2710","","10.1021/acs.organomet.5b00264","","","0.71073","MoKα","","0.064","0.0356","","","0.0749","0.0832","","","","","","1.028","","","","has coordinates","140210","2020-10-21","18:00:00",""
"4085907","13.5071","0.0005","17.8465","0.0006","19.8676","0.0006","90","","108.318","0.002","90","","4546.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Ni O1.5 P3 -","- C57 H48 Ni O1.5 P3 -","- C228 H192 Ni4 O6 P12 -","4","1","","Saes, Bartholomeus W. H.; Verhoeven, Dide G. A.; Lutz, Martin; Klein Gebbink, Robertus J. M.; Moret, Marc-Etienne","Coordination of a Diphosphine‒Ketone Ligand to Ni(0), Ni(I), and Ni(II): Reduction-Induced Coordination","Organometallics","2015","34","12","2710","","10.1021/acs.organomet.5b00264","","","0.71073","MoKα","","0.0614","0.0385","","","0.0877","0.0965","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085908","14.3831","0.0007","14.5225","0.0008","17.3362","0.0009","81.2","0.002","75.996","0.002","78.033","0.002","3417","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 F4 Fe N3 P2 -","- C36 H45 F4 Fe N3 P2 -","- C144 H180 F16 Fe4 N12 P8 -","4","2","","Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris","Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2","Organometallics","2015","34","12","2747","","10.1021/om501289f","","","0.71073","MoKα","","0.0632","0.0522","","","0.1465","0.1613","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085909","20.6241","0.0004","20.6241","0.0004","17.184","0.0004","90","","90","","120","","6330","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 -","- C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 -","- C216 H318 Cl6 F30 Fe6 N18 P12 -","8","1.33333","","Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris","Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2","Organometallics","2015","34","12","2747","","10.1021/om501289f","","","0.71073","MoKα","","0.0552","0.0528","","","0.145","0.1465","","","","","","1.04","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085910","14.6246","0.0007","15.0454","0.0007","18.9262","0.0009","90.723","0.002","104.951","0.002","108.687","0.002","3790.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tBuFPyCpFeCl","","","- C26 H31 Cl0.67 F3 Fe0.67 N2 P1.33 -","- C26 H31 Cl0.666667 F3 Fe0.666667 N2 P1.33333 -","- C156 H186 Cl4 F18 Fe4 N12 P8 -","6","3","","Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris","Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2","Organometallics","2015","34","12","2747","","10.1021/om501289f","","","0.71073","MoKα","","0.0741","0.0643","","","0.1775","0.1882","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085911","39.337","0.003","8.5635","0.0005","18.4636","0.0011","90","","111.235","0.004","90","","5797.4","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H46.5 Cl2 F0.5 Fe N2 P2 -","- C23 H46.5 Cl2 F0.5 Fe N2 P2 -","- C184 H372 Cl16 F4 Fe8 N16 P16 -","8","1","","Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris","Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2","Organometallics","2015","34","12","2747","","10.1021/om501289f","","","0.71073","MoKα","","0.0476","0.0415","","","0.1161","0.1233","","","","","","1.018","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085912","14.329","0.002","27.885","0.003","12.582","0.002","90","","101.772","0.007","90","","4921.6","1.2","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 F6 P3 Pt3 Si3 -","- C45 H51 F6 P3 Pt3 Si3 -","- C180 H204 F24 P12 Pt12 Si12 -","4","1","","Tanaka, Kimiya; Kamono, Megumi; Tanabe, Makoto; Osakada, Kohtaro","Ring Expansion of Cyclic Triplatinum(0) Silylene Complexes Induced by Insertion of Alkyne into a Si‒Pt Bond","Organometallics","2015","34","12","2985","","10.1021/acs.organomet.5b00291","","","0.71075","MoKα","","0.068","0.0509","","","0.122","0.1336","","","","","","1.112","","","","has coordinates","140193","2020-10-21","18:00:00",""
"4085913","10.6806","0.0008","14.1926","0.0013","18.4748","0.0019","94.415","0.004","91.401","0.003","108.193","0.003","2649.1","0.4","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H63 O4 P3 Pt3 Si3 -","- C51 H63 O4 P3 Pt3 Si3 -","- C102 H126 O8 P6 Pt6 Si6 -","2","1","","Tanaka, Kimiya; Kamono, Megumi; Tanabe, Makoto; Osakada, Kohtaro","Ring Expansion of Cyclic Triplatinum(0) Silylene Complexes Induced by Insertion of Alkyne into a Si‒Pt Bond","Organometallics","2015","34","12","2985","","10.1021/acs.organomet.5b00291","","","0.71075","MoKα","","0.0529","0.041","","","0.0965","0.1044","","","","","","1.106","","","","has coordinates","140193","2020-10-21","18:00:00",""
"4085914","24.239","0.003","12.6686","0.0014","22.217","0.003","90","","113.336","0.001","90","","6264.2","1.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 F6 O8 P3 Pt3 Si3 -","- C57 H63 F6 O8 P3 Pt3 Si3 -","- C228 H252 F24 O32 P12 Pt12 Si12 -","4","1","","Tanaka, Kimiya; Kamono, Megumi; Tanabe, Makoto; Osakada, Kohtaro","Ring Expansion of Cyclic Triplatinum(0) Silylene Complexes Induced by Insertion of Alkyne into a Si‒Pt Bond","Organometallics","2015","34","12","2985","","10.1021/acs.organomet.5b00291","","","0.71073","MoKα","","0.046","0.0296","","","0.0822","0.0975","","","","","","0.717","","","","has coordinates","140193","2020-10-21","18:00:00",""
"4085915","10.333","0.009","11.314","0.006","16.307","0.013","71.68","0.05","88.83","0.04","76.54","0.04","1757","2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C84 H77 Co2 N2 O6.5 Pd2 -","- C84 H77 Co2 N2 O6.5 Pd2 -","- C84 H77 Co2 N2 O6.5 Pd2 -","1","1","","Cassar, Doyle J.; Roghzai, Hemin; Villemin, Didier; Horton, Peter N.; Coles, Simon J.; Richards, Christopher J.","Chirality Control in Planar Chiral Cobalt Oxazoline Palladacycles","Organometallics","2015","34","12","2953","","10.1021/acs.organomet.5b00282","","","0.71075","MoKα","","0.0227","0.0221","","","0.0529","0.0533","","","","","","1.033","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085916","10.8479","0.0008","17.9934","0.0012","14.5763","0.001","90","","107.833","0.007","90","","2708.5","0.3","104","3","104","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 N2 -","- C37 H28 N2 -","- C148 H112 N8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.094","0.0685","","","0.1719","0.1898","","","","","","1.084","","","","has coordinates","141379","2020-10-21","18:00:00",""
"4085917","22.915","0.005","8.5483","0.0016","20.189","0.004","90","","91.145","0.006","90","","3953.9","1.4","101.1","","101.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 N2 Na O3 -","- C49 H51 N2 Na O3 -","- C196 H204 N8 Na4 O12 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.0879","0.063","","","0.1789","0.196","","","","","","1.032","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085918","10.814","0.0008","20.5757","0.0015","19.3981","0.0013","90","","99.854","0.002","90","","4252.5","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 Fe N2 O2 -","- C54 H54 Fe N2 O2 -","- C216 H216 Fe4 N8 O8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.0864","0.0547","","","0.1175","0.1355","","","","","","1.053","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085919","21.1313","0.0018","13.7839","0.0011","22.6545","0.0018","90","","112.315","0.01","90","","6104.4","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H71 B Fe N2 O4 -","- C77 H71 B Fe N2 O4 -","- C308 H284 B4 Fe4 N8 O16 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.1619","0.1089","","","0.1885","0.2097","","","","","","1.187","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085920","37.7072","0.0015","11.5665","0.0004","28.6833","0.0011","90","","94.711","0.003","90","","12467.7","0.8","105.6","0.6","105.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H70 B2 Fe N6 -","- C78 H70 B2 Fe N6 -","- C624 H560 B16 Fe8 N48 -","8","2","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.169","0.0851","","","0.1928","0.2399","","","","","","0.943","","","","has coordinates","153466","2020-10-21","18:00:00",""
"4085921","25.7267","0.0017","17.4831","0.0008","24.6865","0.0016","90","","109.256","0.007","90","","10482.4","1.2","104","4","104","4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C100 H96 B2 F48 Fe O9 -","- C100 H96 B2 F48 Fe O9 -","- C400 H384 B8 F192 Fe4 O36 -","4","0.5","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.1436","0.0995","","","0.2428","0.277","","","","","","1.039","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085922","17.2501","0.0002","15.8949","0.0002","22.6296","0.0003","90","","101.023","0.001","90","","6090.3","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 Br2 Fe N2 -","- C37 H28 Br2 Fe N2 -","- C296 H224 Br16 Fe8 N16 -","8","2","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.1218","0.072","","","0.1745","0.201","","","","","","1.018","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085923","40.243","0.0012","15.3735","0.0004","17.0453","0.0005","90","","113.968","0.004","90","","9636.2","0.6","101.9","0.4","101.9","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H63 Br2 Fe N3 -","- C53 H63 Br2 Fe N3 -","- C424 H504 Br16 Fe8 N24 -","8","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.0425","0.0324","","","0.0735","0.0776","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085924","15.5268","0.0005","20.3772","0.0007","21.466","0.0006","61.992","0.003","71.252","0.003","83.089","0.003","5674.3","0.4","105.5","0.3","105.5","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C236 H300 Br8 Fe4 N12 O6 -","- C236 H300 Br8 Fe4 N12 O6 -","- C236 H300 Br8 Fe4 N12 O6 -","1","0.5","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.1086","0.069","","","0.1832","0.2056","","","","","","1.041","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085925","14.8426","0.0008","17.7906","0.0007","13.3967","0.0006","90","","113.228","0.006","90","","3250.8","0.3","105.4","0.2","105.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27 Br3 Fe2 N2 -","- C37 H27 Br3 Fe2 N2 -","- C148 H108 Br12 Fe8 N8 -","4","0.5","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.0402","0.0297","","","0.0589","0.0625","","","","","","1.033","","","","has coordinates","141379","2020-10-21","18:00:00",""
"4085926","14.2126","0.0004","22.5143","0.0004","20.1736","0.0004","90","","96.5503","0.0018","90","","6413.1","0.2","105.27","0.1","105.27","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H60 Cl6 Fe N4 -","- C77 H60 Cl6 Fe N4 -","- C308 H240 Cl24 Fe4 N16 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.0888","0.0653","","","0.162","0.1789","","","","","","0.941","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4085927","25.542","0.004","8.9605","0.0014","9.0105","0.0013","90","","90","","90","","2062.2","0.5","123","","123","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H31 Fe N -","- C27 H31 Fe N -","- C108 H124 Fe4 N4 -","4","1","","Sunada, Yusuke; Noda, Daisuke; Soejima, Hiroe; Tsutsumi, Hironori; Nagashima, Hideo","Combinatorial Approach to the Catalytic Hydrosilylation of Styrene Derivatives: Catalyst Systems Composed of Organoiron(0) or (II) Precursors and Isocyanides","Organometallics","2015","34","12","2896","","10.1021/acs.organomet.5b00201","","","0.71075","MoKα","","","0.0693","","","","0.1528","","","","","","1.103","","","","has coordinates","140195","2020-10-21","18:00:00",""
"4085928","12.89","0.0015","20.6","0.003","12.68","0.0014","90","","99.01","0.002","90","","3325.4","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Fe N3 -","- C41 H53 Fe N3 -","- C164 H212 Fe4 N12 -","4","1","","Sunada, Yusuke; Noda, Daisuke; Soejima, Hiroe; Tsutsumi, Hironori; Nagashima, Hideo","Combinatorial Approach to the Catalytic Hydrosilylation of Styrene Derivatives: Catalyst Systems Composed of Organoiron(0) or (II) Precursors and Isocyanides","Organometallics","2015","34","12","2896","","10.1021/acs.organomet.5b00201","","","0.71075","MoKα","","","0.057","","","","0.1325","","","","","","1.1","","","","has coordinates","140195","2020-10-21","18:00:00",""
"4085929","12.2741","0.0019","12.2741","0.0019","14.995","0.003","90","","90","","120","","1956.4","0.6","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C15 H23 Fe0.33 O -","- C15 H23 Fe0.333333 O -","- C90 H138 Fe2 O6 -","6","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.0788","0.0457","","","0.1011","0.1096","","","","","","0.961","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085930","4.7927","0.0006","9.8612","0.0012","15.4094","0.0017","90","","92.167","0.005","90","","727.75","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N -","- C9 H11 N -","- C36 H44 N4 -","4","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.0475","0.0404","","","0.115","0.1216","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085931","23.3174","0.0018","9.2385","0.0007","21.1985","0.0016","90","","110.977","0.004","90","","4263.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 Fe0.5 N O -","- C24 H29 Fe0.5 N O -","- C192 H232 Fe4 N8 O8 -","8","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.0899","0.0806","","","0.1841","0.1899","","","","","","1.129","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085932","25.1613","0.0008","13.7596","0.0004","17.3302","0.0006","90","","113.417","0.002","90","","5505.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 F3 Fe N O2.5 -","- C28 H35 F3 Fe N O2.5 -","- C224 H280 F24 Fe8 N8 O20 -","8","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.0855","0.0539","","","0.137","0.1544","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085933","9.3779","0.0006","19.846","0.002","14.4267","0.0011","90","","106.326","0.003","90","","2576.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Fe N O2 -","- C27 H40 Fe N O2 -","- C108 H160 Fe4 N4 O8 -","4","1","","Bellow, James A.; Yousif, Maryam; Cabelof, Alyssa C.; Lord, Richard L.; Groysman, Stanislav","Reactivity Modes of an Iron Bis(alkoxide) Complex with Aryl Azides: Catalytic Nitrene Coupling vs Formation of Iron(III) Imido Dimers","Organometallics","2015","34","12","2917","","10.1021/acs.organomet.5b00231","","","0.71073","MoKα","","0.05","0.0394","","","0.1002","0.1069","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085934","46.714","0.005","16.719","0.005","16.211","0.005","90","0.005","105.662","0.005","90","0.005","12191","5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H118 Cl14 I10 Ir4 N18 -","- C87 H118 Cl14 I10 Ir4 N18 -","- C348 H472 Cl56 I40 Ir16 N72 -","4","0.5","","Maity, Ramananda; van der Meer, Margarethe; Hohloch, Stephan; Sarkar, Biprajit","Di- and Trinuclear Iridium(III) Complexes with Poly-Mesoionic Carbenes Synthesized through Selective Base-Dependent Metalation","Organometallics","2015","34","12","3090","","10.1021/acs.organomet.5b00365","","","0.71069","MoKα","","0.099","0.051","","","0.1125","0.141","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085935","15.333","0.003","16.044","0.003","18.265","0.003","84.772","0.004","84.16","0.004","63.391","0.004","3991.2","1.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 Cl20 Ir3 N10 -","- C58 H78 Cl20 Ir3 N10 -","- C116 H156 Cl40 Ir6 N20 -","2","1","","Maity, Ramananda; van der Meer, Margarethe; Hohloch, Stephan; Sarkar, Biprajit","Di- and Trinuclear Iridium(III) Complexes with Poly-Mesoionic Carbenes Synthesized through Selective Base-Dependent Metalation","Organometallics","2015","34","12","3090","","10.1021/acs.organomet.5b00365","","","0.71073","MoKα","","0.047","0.0346","","","0.0879","0.097","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085936","19.785","0.005","11.325","0.003","12.641","0.003","90","","90","","90","","2832.4","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H39 Ag F2 N2 -","- C28 H39 Ag F2 N2 -","- C112 H156 Ag4 F8 N8 -","4","1","","Gu, Yang; Chang, Dalu; Leng, Xuebing; Gu, Yucheng; Shen, Qilong","Well-Defined, Shelf-Stable (NHC)Ag(CF2H) Complexes for Difluoromethylation","Organometallics","2015","34","12","3065","","10.1021/acs.organomet.5b00350","","","0.71073","MoKα","","0.0491","0.0369","","","0.0868","0.0924","","","","","","1.032","","","","has coordinates,has disorder","140199","2020-10-21","18:00:00",""
"4085937","19.692","0.01","11.277","0.006","12.611","0.007","90","","90","","90","","2800","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H37 Ag F2 N2 -","- C28 H37 Ag F2 N2 -","- C112 H148 Ag4 F8 N8 -","4","1","","Gu, Yang; Chang, Dalu; Leng, Xuebing; Gu, Yucheng; Shen, Qilong","Well-Defined, Shelf-Stable (NHC)Ag(CF2H) Complexes for Difluoromethylation","Organometallics","2015","34","12","3065","","10.1021/acs.organomet.5b00350","","","0.71073","MoKα","","0.0684","0.0385","","","0.0798","0.0919","","","","","","0.959","","","","has coordinates,has disorder","140199","2020-10-21","18:00:00",""
"4085938","27.826","0.003","27.826","0.003","13.4682","0.0014","90","","90","","120","","9031.1","1.7","143","2","143","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C34 H58 Fe N4 -","- C34 H58 Fe N4 -","- C306 H522 Fe9 N36 -","9","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0799","0.0563","","","0.1294","0.1386","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085939","18.8526","0.0014","19.576","0.0015","20.9753","0.0016","90","","90","","90","","7741.1","1","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H61 Fe N5 Si -","- C36 H61 Fe N5 Si -","- C288 H488 Fe8 N40 Si8 -","8","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0974","0.052","","","0.1322","0.1618","","","","","","1.017","","","","has coordinates","140203","2020-10-21","18:00:00",""
"4085940","15.0186","0.0014","10.5172","0.001","20.2247","0.0019","90","","105.155","0.002","90","","3083.5","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H54 Fe P4 -","- C24 H54 Fe P4 -","- C96 H216 Fe4 P16 -","4","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0543","0.036","","","0.0951","0.1073","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085941","22.574","0.002","9.7981","0.0009","20.4582","0.0018","90","","96.29","0.002","90","","4497.8","0.7","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H74 Fe N6 -","- C43 H74 Fe N6 -","- C172 H296 Fe4 N24 -","4","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0684","0.0428","","","0.1098","0.124","","","","","","1.024","","","","has coordinates","140203","2020-10-21","18:00:00",""
"4085942","14.6963","0.0003","19.6941","0.0002","16.7638","0.0003","90","","115.129","0.002","90","","4392.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H62 Ga N3 O -","- C50.5 H62 Ga N3 O -","- C202 H248 Ga4 N12 O4 -","4","1","","Fedushkin, Igor L.; Kazarina, Olga V.; Lukoyanov, Anton N.; Skatova, Alexandra A.; Bazyakina, Natalia L.; Cherkasov, Anton V.; Palamidis, Eftimios","Mononuclear dpp-Bian Gallium Complexes: Synthesis, Crystal Structures, and Reactivity toward Alkynes and Enones","Organometallics","2015","34","8","1498","","10.1021/acs.organomet.5b00001","","","0.71073","MoKα","","0.0511","0.0334","","","0.0825","0.0897","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085943","12.1496","0.0016","15.407","0.002","23.676","0.003","90","","102.432","0.007","90","","4328","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C83 H76 Cl6 Co4 N2 O8 P4 Si2 -","- C83 H76 Cl6 Co4 N2 O8 P4 Si2 -","- C166 H152 Cl12 Co8 N4 O16 P8 Si4 -","2","0.5","","Moreno, Consuelo; Arnanz, Avelina; Medina, Rosa-María; Macazaga, María-José; Pascual, Mario; García-Frutos, Eva M.; Martínez-Gimeno, Esther; Marcos, María-Luisa","Synthesis and Properties of New Dimeric η2-Diyne Complexes of Cobalt Linked through an Azobenzene Ligand","Organometallics","2015","34","12","2971","","10.1021/acs.organomet.5b00257","","","0.71073","MoKα","","0.0726","0.0467","","","0.1128","0.1266","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085944","8.8533","0.0005","8.9613","0.0006","17.4159","0.0011","77.088","0.006","89.018","0.005","86.324","0.005","1344.01","0.15","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","3-[2-(N,N-dimethyl)aminoethanolato]-1,3-dihydro-1,1-dimethyl- 1,2,3-benzsiloxaborole","","- C12 H20 B N O2 Si -","- C12 H20 B N O2 Si -","- C48 H80 B4 N4 O8 Si4 -","4","2","","Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech","Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity","Organometallics","2015","34","12","2924","","10.1021/acs.organomet.5b00265","","","0.71073","MoKα","","0.1158","0.0652","","","0.1202","0.1402","","","","","","1.051","","","","has coordinates","140204","2020-10-21","18:00:00",""
"4085945","7.0586","0.0003","8.2461","0.0004","9.2426","0.0004","85.359","0.004","86.532","0.003","85.636","0.004","533.86","0.04","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","4,5,6,7-tetrafluoro-1,3-dihydro-3-hydroxy- 1,1-dimethyl-1,2,3-benzsiloxaborole","","- C8 H7 B F4 O2 Si -","- C8 H7 B F4 O2 Si -","- C16 H14 B2 F8 O4 Si2 -","2","1","","Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech","Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity","Organometallics","2015","34","12","2924","","10.1021/acs.organomet.5b00265","","x-ray","1.54184","CuKα","","0.0352","0.0343","","","0.0958","0.0966","","","","","","1.059","","","","has coordinates","140204","2020-10-21","18:00:00",""
"4085946","11.393","0.0002","12.1235","0.0002","16.8329","0.0002","90","","90","","90","","2325.01","0.06","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 B N O3 S Si -","- C24 H30 B N O3 S Si -","- C96 H120 B4 N4 O12 S4 Si4 -","4","1","","Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech","Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity","Organometallics","2015","34","12","2924","","10.1021/acs.organomet.5b00265","","","0.71073","MoKα","","0.0371","0.033","","","0.0839","0.0864","","","","","","1.048","","","","has coordinates","140204","2020-10-21","18:00:00",""
"4085947","7.0742","0.0001","10.7508","0.0002","15.0965","0.0004","84.974","0.002","83.477","0.002","88.455","0.002","1136.15","0.04","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","Potassium 2-(fluorodimethylsilyl)phenyltrifluoroborate","","- C16 H16 B2 F12 K2 Si2 -","- C16 H16 B2 F12 K2 Si2 -","- C32 H32 B4 F24 K4 Si4 -","2","1","","Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech","Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity","Organometallics","2015","34","12","2924","","10.1021/acs.organomet.5b00265","","x-ray","0.71073","MoKα","","0.0283","0.0251","","","0.0652","0.0671","","","","","","1.032","","","","has coordinates","140204","2020-10-21","18:00:00",""
"4085948","12.55173","0.00018","7.82999","0.00012","21.7095","0.0003","90","","101.108","0.0013","90","","2093.64","0.05","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 S Si -","- C25 H26 S Si -","- C100 H104 S4 Si4 -","4","2","","Rohde, Volker H. G.; Müller, Maria F.; Oestreich, Martin","Intramolecularly Sulfur-Stabilized Silicon Cations with Chiral Binaphthyl Backbones: Synthesis of Three Different Motifs and Their Application in Enantioselective Diels‒Alder Reactions","Organometallics","2015","34","13","3358","","10.1021/acs.organomet.5b00351","","x-ray","1.54184","CuKα","","0.033","0.0317","","","0.0852","0.0866","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085949","8.5421","0.0003","33.3539","0.0012","8.7758","0.0002","90","","99.854","0.003","90","","2463.45","0.14","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 S Si -","- C31 H28 S Si -","- C124 H112 S4 Si4 -","4","2","","Rohde, Volker H. G.; Müller, Maria F.; Oestreich, Martin","Intramolecularly Sulfur-Stabilized Silicon Cations with Chiral Binaphthyl Backbones: Synthesis of Three Different Motifs and Their Application in Enantioselective Diels‒Alder Reactions","Organometallics","2015","34","13","3358","","10.1021/acs.organomet.5b00351","","x-ray","1.54184","CuKα","","0.0867","0.0557","","","0.1141","0.1341","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085950","24.599","0.011","24.599","0.011","40.161","0.01","90","","90","","120","","21046","14","173","2","173","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C146 H178 B6 K6 O14 -","- C146 H178.002 B6 K6 O14 -","- C876.002 H1068.01 B36 K36 O84 -","6","","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Ring Expansion Reactions of Electron-Rich Boron-Containing Heterocycles","Organometallics","2015","34","13","3408","","10.1021/acs.organomet.5b00390","","","0.71073","MoKα","","0.158","0.1158","","","0.2259","0.2476","","","","","","1.203","","","","has coordinates","152883","2020-10-21","18:00:00",""
"4085951","14.339","0.0007","15.3414","0.0007","16.5198","0.0009","88.39","0.003","78.224","0.003","64.155","0.003","3194.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H172 B4 K4 O10 -","- C122 H172 B4 K4 O10 -","- C122 H172 B4 K4 O10 -","1","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Ring Expansion Reactions of Electron-Rich Boron-Containing Heterocycles","Organometallics","2015","34","13","3408","","10.1021/acs.organomet.5b00390","","","1.54178","CuKα","","0.0684","0.0612","","","0.187","0.1962","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085952","9.258","0.0002","16.3219","0.0004","10.7044","0.0003","90","","97.977","0.003","90","","1601.87","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 I N2 O Pd -","- C17 H15 I N2 O Pd -","- C68 H60 I4 N8 O4 Pd4 -","4","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Synthesis of Arylpalladium(II) Complexes Derived from Benzyl Alcohol, Reactivity toward Alkyl Halides, and Synthesis of Dinuclear Arylpalladium(II) Complexes","Organometallics","2015","34","13","3282","","10.1021/acs.organomet.5b00309","","","0.71073","MoKα","","0.0239","0.0192","","","0.0409","0.0429","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085953","25.7969","0.0016","7.2646","0.0004","16.8495","0.0011","90","","109.801","0.003","90","","2971","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N2 O2 Pd -","- C17 H16 N2 O2 Pd -","- C136 H128 N16 O16 Pd8 -","8","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Synthesis of Arylpalladium(II) Complexes Derived from Benzyl Alcohol, Reactivity toward Alkyl Halides, and Synthesis of Dinuclear Arylpalladium(II) Complexes","Organometallics","2015","34","13","3282","","10.1021/acs.organomet.5b00309","","","0.71073","MoKα","","0.0308","0.0225","","","0.0522","0.0569","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085954","9.3227","0.0003","13.4757","0.0004","17.8619","0.0005","90","","92.273","0.003","90","","2242.22","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br I N2 O Pd -","- C24 H20 Br I N2 O Pd -","- C96 H80 Br4 I4 N8 O4 Pd4 -","4","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Synthesis of Arylpalladium(II) Complexes Derived from Benzyl Alcohol, Reactivity toward Alkyl Halides, and Synthesis of Dinuclear Arylpalladium(II) Complexes","Organometallics","2015","34","13","3282","","10.1021/acs.organomet.5b00309","","","0.71073","MoKα","","0.0304","0.0229","","","0.0471","0.0496","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085955","11.2267","0.0009","13.8576","0.0011","20.1437","0.0016","90","","106.046","0.002","90","","3011.8","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H44 O P2 -","- C32 H44 O P2 -","- C128 H176 O4 P8 -","4","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.0419","0.0338","","","0.0817","0.0886","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085956","14.286","0.003","17.903","0.004","18.047","0.004","100.617","0.006","105.155","0.007","108.879","0.006","4028.8","1.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Cl Ir O P2 -","- C40 H56 Cl Ir O P2 -","- C160 H224 Cl4 Ir4 O4 P8 -","4","2","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.108","0.0666","","","0.1556","0.172","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085957","10.3914","0.0009","10.5136","0.0009","18.8352","0.0015","93.422","0.001","91.778","0.001","114.515","0.001","1865.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H60 Ir O P2 -","- C43 H60 Ir O P2 -","- C86 H120 Ir2 O2 P4 -","2","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.0132","0.0129","","","0.0298","0.0303","","","","","","1.145","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085958","10.3699","0.0009","10.6122","0.0009","15.2348","0.0013","76.741","0.001","86.009","0.001","67.424","0.001","1506.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Cl Ir O P2 -","- C32 H44 Cl Ir O P2 -","- C64 H88 Cl2 Ir2 O2 P4 -","2","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.0363","0.0292","","","0.0623","0.0665","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085959","9.922","0.002","10.833","0.002","15.344","0.003","72.292","0.002","85.131","0.003","68.382","0.002","1459.9","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Ir O P2 -","- C32 H45 Ir O P2 -","- C64 H90 Ir2 O2 P4 -","2","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.014","0.0135","","","0.0342","0.0343","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085960","17.204","0.002","12.4433","0.0016","15.283","0.0017","90","","107.233","0.003","90","","3124.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Ir O2 P2 -","- C33 H45 Ir O2 P2 -","- C132 H180 Ir4 O8 P8 -","4","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.0748","0.0404","","","0.0668","0.0723","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085961","10.8877","0.0008","18.6255","0.0013","15.221","0.0011","90","","95.1787","0.0013","90","","3074","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 Ir O2 P2 -","- C33 H45 Ir O2 P2 -","- C132 H180 Ir4 O8 P8 -","4","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.022","0.0178","","","0.0388","0.0397","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085962","10.903","0.002","20.135","0.004","15.62","0.003","90","","94.941","0.003","90","","3416.3","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H54 Ir O P3 -","- C35 H54 Ir O P3 -","- C140 H216 Ir4 O4 P12 -","4","1","","Babbini, Dominic C.; Iluc, Vlad M.","Iridium PCsp3P-type Complexes with a Hemilabile Anisole Tether","Organometallics","2015","34","13","3141","","10.1021/acs.organomet.5b00165","","","0.71073","MoKα","","0.0165","0.0144","","","0.0329","0.0336","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085963","18.8355","0.0008","12.6556","0.0006","22.5216","0.001","90","","108.591","0.002","90","","5088.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Co N4 O P3 Zr -","- C50 H80 Co N4 O P3 Zr -","- C200 H320 Co4 N16 O4 P12 Zr4 -","4","1","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0445","0.0288","","0.0682","0.0597","0.0682","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085964","19.2253","0.0007","19.2253","0.0007","31.9514","0.0011","90","","90","","120","","10227.4","0.6","120","","120","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C63 H90 Co N5 O P3 Si Zr -","- C63 H90 Co N5 O P3 Si Zr -","- C378 H540 Co6 N30 O6 P18 Si6 Zr6 -","6","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0361","0.0317","","0.0896","0.0849","0.0896","","","","","","1.0248","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085965","19.1775","0.0012","19.1775","0.0012","32.006","0.002","90","","90","","120","","10194","1.1","120","","120","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C64 H90 Co N3 O2 P3 Si Zr -","- C63.9999 H90 Co N3 O1.9999 P3 Si Zr -","- C383.999 H540 Co6 N18 O11.9994 P18 Si6 Zr6 -","6","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0284","0.0263","","0.0741","0.0701","0.0741","","","","","","1.0318","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085966","15.4086","0.0012","15.4255","0.0013","17.9455","0.0015","67.337","0.006","77.173","0.006","79.696","0.006","3817.1","0.6","135","","135","","","","","","","","","8","P -1","-P 1","2","","","","- C76 H101 Co N5 O P3 Si Zr -","- C76 H101 Co N5 O P3 Si Zr -","- C152 H202 Co2 N10 O2 P6 Si2 Zr2 -","2","1","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.106","0.0524","","0.1095","0.0932","0.1095","","","","","","1.0036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085967","18.9609","0.0017","18.9609","0.0017","18.9609","0.0017","90","","90","","90","","6816.7","1.1","120","","120","","","","","","","","","9","P 21 3","P 2ac 2ab 3","198","","","","- C65 H93 Cl2 Co N3 O3 P3 Si Zr -","- C64.9998 H93.0018 Cl1.9998 Co N3 O3.0019 P3 Si Zr -","- C259.999 H372.007 Cl7.9992 Co4 N12 O12.0076 P12 Si4 Zr4 -","4","0.333333","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0318","0.0273","","0.0713","0.0662","0.0713","","","","","","1.0307","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4085968","12.8701","0.0007","23.4332","0.0012","24.71","0.0013","90","","104.902","0.003","90","","7201.6","0.7","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77 H104 Co N4 O P3 Si Zr -","- C77 H104 Co N4 O P3 Si Zr -","- C308 H416 Co4 N16 O4 P12 Si4 Zr4 -","4","1","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0591","0.0383","","0.091","0.083","0.091","","","","","","1.0239","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085969","20.2235","0.001","15.4327","0.0009","24.6421","0.0014","90","","107.828","0.002","90","","7321.6","0.7","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H115 Co N3 O P3 Si Zr -","- C78.5 H115 Co N3 O P3 Si Zr -","- C314 H460 Co4 N12 O4 P12 Si4 Zr4 -","4","1","","Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex","Organometallics","2015","34","13","3159","","10.1021/acs.organomet.5b00182","","","0.71073","MoKα","","0.0423","0.0342","","0.0953","0.0867","0.0953","","","","","","1.0207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085970","17.9718","0.0015","8.2619","0.0007","17.3504","0.0015","90","","98.0824","0.0015","90","","2550.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 B Co F4 O4 -","- C25 H36 B Co F4 O4 -","- C100 H144 B4 Co4 F16 O16 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0806","0.0549","","","0.1389","0.1584","","","","","","1.068","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085971","16.9258","0.0014","14.2819","0.0012","8.2379","0.0007","90","","90","","90","","1991.4","0.3","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 B Co F4 O -","- C19 H28 B Co F4 O -","- C76 H112 B4 Co4 F16 O4 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0489","0.0363","","","0.0888","0.0953","","","","","","1.051","","","","has coordinates,has disorder","154724","2020-10-21","18:00:00",""
"4085972","11.2392","0.0017","16.482","0.003","12.5865","0.0019","90","","91.496","0.004","90","","2330.8","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 B Co F4 O2 -","- C23 H34 B Co F4 O2 -","- C92 H136 B4 Co4 F16 O8 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0937","0.0582","","","0.1452","0.1601","","","","","","0.98","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085973","7.6512","0.0007","12.3505","0.0011","14.1372","0.0013","90","","104.273","0.0013","90","","1294.7","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 B Co F4 -","- C13 H16 B Co F4 -","- C52 H64 B4 Co4 F16 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.044","0.0336","","","0.0817","0.087","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085974","12.9507","0.0009","12.9074","0.0009","13.8127","0.001","90","","100.351","0.0011","90","","2271.4","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 B Co F4 -","- C25 H32 B Co F4 -","- C100 H128 B4 Co4 F16 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0555","0.0479","","","0.1294","0.1374","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085975","8.5841","0.0008","17.6785","0.0017","12.6769","0.0012","90","","99.8617","0.001","90","","1895.3","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B Co F4 -","- C19 H28 B Co F4 -","- C76 H112 B4 Co4 F16 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0495","0.0409","","","0.105","0.1122","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085976","8.3978","0.0006","10.5938","0.0008","24.6587","0.0018","87.4032","0.0009","88.7435","0.0008","70.2237","0.0008","2062.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H30 B Co F4 O -","- C21 H30 B Co F4 O -","- C84 H120 B4 Co4 F16 O4 -","4","2","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0668","0.0613","","","0.1604","0.1641","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085977","10.033","0.0008","13.7352","0.0011","16.5907","0.0013","90","","94.0237","0.0012","90","","2280.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B Co F4 O2 -","- C23 H34 B Co F4 O2 -","- C92 H136 B4 Co4 F16 O8 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0561","0.0436","","","0.1131","0.1189","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085978","7.6504","0.0004","15.5039","0.0007","17.5002","0.0008","90","","90","","90","","2075.72","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 B Co F4 O -","- C21 H30 B Co F4 O -","- C84 H120 B4 Co4 F16 O4 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.037","0.0361","","","0.0955","0.0961","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085979","14.0561","0.0014","8.6637","0.0009","16.6265","0.0016","90","","113.909","0.001","90","","1851","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Co O -","- C21 H29 Co O -","- C84 H116 Co4 O4 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.0354","0.0294","","","0.0745","0.0778","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085980","26.023","0.003","9.7154","0.0009","9.065","0.0009","90","","90","","90","","2291.8","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","ligand Ph2PNHSO2NHPPh2","","","- C24 H22 N2 O2 P2 S -","- C24 H22 N2 O2 P2 S -","- C96 H88 N8 O8 P8 S4 -","4","0.5","","Oldenhof, Sander; Terrade, Frederic G.; Lutz, Martin; van der Vlugt, Jarl Ivar; Reek, Joost N. H.","Formation and Site-Selective Reactivity of a Nonsymmetric Dinuclear Iridium BisMETAMORPhos Complex","Organometallics","2015","34","13","3209","","10.1021/acs.organomet.5b00249","","","0.71073","","","0.0567","0.0425","","","0.0858","0.0918","","","","","","1.178","","","","has coordinates,has disorder","152885","2020-10-21","18:00:00",""
"4085981","14.517","0.002","16.851","0.003","19.123","0.003","90","","90","","90","","4678","1.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H49 Cl Ir2 N2 O2 P2 S -","- C44 H49 Cl Ir2 N2 O2 P2 S -","- C176 H196 Cl4 Ir8 N8 O8 P8 S4 -","4","1","","Oldenhof, Sander; Terrade, Frederic G.; Lutz, Martin; van der Vlugt, Jarl Ivar; Reek, Joost N. H.","Formation and Site-Selective Reactivity of a Nonsymmetric Dinuclear Iridium BisMETAMORPhos Complex","Organometallics","2015","34","13","3209","","10.1021/acs.organomet.5b00249","","","0.71073","MoKα","","0.02","0.0189","","","0.0418","0.0421","","","","","","1.134","","","","has coordinates,has disorder","152885","2020-10-21","18:00:00",""
"4085982","9.766","0.002","10.607","0.002","15.337","0.004","92.788","0.002","95.182","0.002","104.941","0.002","1524.5","0.6","140","1","140","1","","","","","","","","8","P -1","-P 1","2","","","","- C32 H37 Cl2 N2 O P Ru S -","- C32 H37 Cl2 N2 O P Ru S -","- C64 H74 Cl4 N4 O2 P2 Ru2 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0209","0.0195","","","0.0577","0.0584","","","","","","1.659","","","","has coordinates","160558","2020-10-21","18:00:00",""
"4085983","11.204","0.004","12.841","0.005","12.957","0.005","103.281","0.004","95.035","0.004","102.981","0.004","1748.7","1.1","140","1","140","1","","","","","","","","8","P -1","-P 1","2","","","","- C33.5 H40 Cl3 N2 O P Ru S -","- C33 H39 Cl2 N2 O P Ru S -","- C66 H78 Cl4 N4 O2 P2 Ru2 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0283","0.0247","","","0.0641","0.0652","","","","","","1.402","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085984","9.9451","0.0011","11.3383","0.0012","14.3627","0.0015","78.001","0.002","70.024","0.002","64.473","0.002","1370","0.3","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H35 Cl2 N2 O P Ru S -","- C27 H35 Cl2 N2 O P Ru S -","- C54 H70 Cl4 N4 O2 P2 Ru2 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.1001","0.0904","","","0.3062","0.3089","","","","","","3.179","","","","has coordinates","160558","2020-10-21","18:00:00",""
"4085985","17.8718","0.0011","17.4318","0.0011","21.3841","0.0013","90","","99.138","0.001","90","","6577.4","0.7","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 Cl2 N2 O P Ru S -","- C34 H41 Cl2 N2 O P Ru S -","- C272 H328 Cl16 N16 O8 P8 Ru8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0306","0.0224","","","0.0663","0.0751","","","","","","1.275","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085986","9.287","0.0019","20.272","0.004","16.629","0.003","90","","100.662","0.003","90","","3076.6","1","140","1","140","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Cl2 N2 O P Ru S -","- C33 H39 Cl2 N2 O P Ru S -","- C132 H156 Cl8 N8 O4 P4 Ru4 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.1366","0.0947","","","0.2511","0.2743","","","","","","1.441","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085987","30.089","0.003","15.3388","0.0016","21.161","0.004","90","","125.115","0.001","90","","7988.9","1.9","140","1","140","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Cl6 N4 O2 Ru2 S2 -","- C28 H44 Cl4 N4 O2 Ru2 S2 -","- C224 H352 Cl32 N32 O16 Ru16 S16 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0424","0.038","","","0.1155","0.1177","","","","","","1.689","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085988","13.44","0.002","11.8565","0.0018","25.667","0.004","90","","91.928","0.002","90","","4087.8","1.1","140","1","140","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 Cl2 N2 O2 Ru S2 -","- C16 H28 Cl2 N2 O2 Ru S2 -","- C128 H224 Cl16 N16 O16 Ru8 S16 -","8","4","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0254","0.0231","","","0.0485","0.0495","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085989","11.993","0.004","18.945","0.006","20.2","0.007","90","","90","","90","","4590","3","140","1","140","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Ir N2 O P0 S -","- C22 H36 Cl Ir N2 O S -","- C176 H288 Cl8 Ir8 N16 O8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0214","0.0171","","","0.0434","0.0443","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085990","13.1493","0.001","13.3835","0.001","13.8226","0.001","72.9125","0.0012","82.5663","0.0012","61.9378","0.0011","2051.7","0.3","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 Cl3 Ir N2 O S -","- C16 H25 Cl Ir N2 O S -","- C64 H100 Cl4 Ir4 N8 O4 S4 -","4","2","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0295","0.0247","","","0.0759","0.0776","","","","","","1.403","","","","has coordinates","160558","2020-10-21","18:00:00",""
"4085991","16.1985","0.0009","25.2202","0.0015","16.8845","0.001","90","","113.287","0.0012","90","","6335.9","0.6","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H73 Cl4 N2 O P3 Ru2 S -","- C71 H73 Cl4 N2 O P3 Ru2 S -","- C284 H292 Cl16 N8 O4 P12 Ru8 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.047","0.0309","","","0.101","0.1168","","","","","","0.886","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085992","13.624","0.004","16.003","0.004","20.207","0.006","87.918","0.003","83.282","0.003","65.01","0.003","3965.3","1.9","140","1","140","1","","","","","","","","8","P -1","-P 1","2","","","","- C85 H84 Cl5 N2 O1.5 P4 Ru2 S -","- C83 H79 Cl5 N2 O P4 Ru2 S -","- C166 H158 Cl10 N4 O2 P8 Ru4 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0438","0.0328","","","0.0877","0.0941","","","","","","1.086","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4085993","12.3957","0.0009","10.2189","0.0007","24.5583","0.0017","90","","100.862","0.0012","90","","3055.1","0.4","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Cl2 N2 P Ru S -","- C32 H37 Cl2 N2 P Ru S -","- C128 H148 Cl8 N8 P4 Ru4 S4 -","4","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0311","0.0239","","","0.0728","0.0813","","","","","","1.437","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085994","10.433","0.003","10.677","0.003","15.796","0.005","72.035","0.003","78.889","0.003","73.82","0.003","1596.5","0.8","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H37 Cl4 N2 P Ru S -","- C31 H37 Cl4 N2 P Ru S -","- C62 H74 Cl8 N4 P2 Ru2 S2 -","2","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0421","0.0354","","","0.0961","0.0986","","","","","","1.531","","","","has coordinates","160558","2020-10-21","18:00:00",""
"4085995","10.7206","0.0005","12.9145","0.0006","13.928","0.0007","100.816","0.002","110.245","0.002","91.817","0.002","1767.28","0.15","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N8 S10 Sn6 -","- C52 H68 N8 S10 Sn6 -","- C52 H68 N8 S10 Sn6 -","1","0.5","","Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie","Functionalization of Sn/S Clusters with Hetero- and Polyaromatics","Organometallics","2015","34","13","3264","","10.1021/acs.organomet.5b00295","","","0.71073","MoKα","","0.1038","0.0573","","","0.1368","0.157","","","","","","1.081","","","","has coordinates,has disorder","152888","2020-10-21","18:00:00",""
"4085996","32.9747","0.0015","11.4272","0.0005","31.2524","0.0013","90","","121.84","","90","","10004.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H96 Cl12 N8 S10 Sn6 -","- C78 H96 Cl12 N8 S10 Sn6 -","- C312 H384 Cl48 N32 S40 Sn24 -","4","0.5","","Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie","Functionalization of Sn/S Clusters with Hetero- and Polyaromatics","Organometallics","2015","34","13","3264","","10.1021/acs.organomet.5b00295","","","0.71073","MoKα","","0.1181","0.0616","","","0.1287","0.153","","","","","","1.035","","","","has coordinates","152888","2020-10-21","18:00:00",""
"4085997","10.7352","0.0006","10.8246","0.0006","17.6041","0.001","83.918","0.002","86.837","0.002","83.666","0.002","2019.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Cl4 N12 S10 Sn6 -","- C66 H76 Cl4 N12 S10 Sn6 -","- C66 H76 Cl4 N12 S10 Sn6 -","1","0.5","","Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie","Functionalization of Sn/S Clusters with Hetero- and Polyaromatics","Organometallics","2015","34","13","3264","","10.1021/acs.organomet.5b00295","","","0.71073","MoKα","","0.0734","0.0361","","","0.0559","0.0702","","","","","","1.024","","","","has coordinates","152888","2020-10-21","18:00:00",""
"4085998","10.859","0.002","14.864","0.003","16.49","0.003","114.43","0.03","105.7","0.03","93.95","0.03","2282.7","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H86 Cl2 N8 S10 Sn6 -","- C73 H86 Cl2 N8 S10 Sn6 -","- C73 H86 Cl2 N8 S10 Sn6 -","1","0.5","","Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie","Functionalization of Sn/S Clusters with Hetero- and Polyaromatics","Organometallics","2015","34","13","3264","","10.1021/acs.organomet.5b00295","","","0.71073","MoKα","","0.0491","0.0376","","","0.1036","0.109","","","","","","1.021","","","","has coordinates,has disorder","152888","2020-10-21","18:00:00",""
"4085999","10.022","0.0005","10.2762","0.0005","19.7168","0.001","75.382","0.004","84.538","0.004","66.276","0.005","1798.78","0.17","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H40 B Cl O P2 Ru -","- C43 H40 B Cl O P2 Ru -","- C86 H80 B2 Cl2 O2 P4 Ru2 -","2","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0637","0.0354","","","0.0436","0.046","","","","","","0.821","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086000","10.1289","0.0003","11.2291","0.0004","18.5072","0.0005","88.755","0.003","76.281","0.003","72.501","0.003","1947.5","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 B Cl4 O P2 Ru -","- C43 H39 B Cl4 O P2 Ru -","- C86 H78 B2 Cl8 O2 P4 Ru2 -","2","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0553","0.033","","","0.0751","0.1128","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086001","10.13","0.0003","13.9311","0.0004","30.1671","0.0008","99.318","0.002","90.567","0.002","104.034","0.003","4070.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H79 B2 Cl4 O P4 Ru2 -","- C86 H79 B2 Cl4 O P4 Ru2 -","- C172 H158 B4 Cl8 O2 P8 Ru4 -","2","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0667","0.0501","","","0.1451","0.1519","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086002","11.411","0.002","11.985","0.002","14.483","0.003","89.57","0.03","85.07","0.03","74.46","0.03","1901","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H44 B Cl O2 P2 Ru -","- C45 H44 B Cl O2 P2 Ru -","- C90 H88 B2 Cl2 O4 P4 Ru2 -","2","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0419","0.0313","","","0.0731","0.0813","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086003","8.9571","0.0018","10.018","0.002","15.012","0.003","88.08","0.03","75.76","0.03","81.77","0.03","1292.2","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 B Cl O2 P Ru -","- C29 H31 B Cl O2 P Ru -","- C58 H62 B2 Cl2 O4 P2 Ru2 -","2","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0342","0.0294","","","0.0979","0.1242","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086004","10.6591","0.0012","13.8011","0.0014","19.298","0.002","90","","105.839","0.012","90","","2731.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 B Cl O2 P Ru -","- C30 H33 B Cl O2 P Ru -","- C120 H132 B4 Cl4 O8 P4 Ru4 -","4","1","","Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin","Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)","Organometallics","2015","34","13","3292","","10.1021/acs.organomet.5b00319","","","0.71073","MoKα","","0.0763","0.0408","","","0.0459","0.0486","","","","","","0.939","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086005","14.8817","0.0018","15.6147","0.0018","16.1733","0.0019","76.743","0.002","78.461","0.003","69.057","0.002","3387.5","0.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C129.2 H137 Ag4 F24 N23 O0.8 P4 -","- C126.8 H137 Ag4 F24 N23 O0.8 P4 -","- C126.8 H137 Ag4 F24 N23 O0.8 P4 -","1","0.5","","Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions","Organometallics","2015","34","13","3167","","10.1021/acs.organomet.5b00188","","","0.71073","MoKα","","0.148","0.0802","","","0.2252","0.2739","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086006","9.4478","0.0011","18.521","0.002","17.671","0.002","90","","93.777","0.002","90","","3085.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Hg I4 N5 -","- C22 H30 Hg I4 N5 -","- C88 H120 Hg4 I16 N20 -","4","1","","Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions","Organometallics","2015","34","13","3167","","10.1021/acs.organomet.5b00188","","","0.71073","MoKα","","0.0743","0.0653","","","0.1634","0.1705","","","","","","1.048","","","","has coordinates,has disorder","152887","2020-10-21","18:00:00",""
"4086007","17.5804","0.0018","35.051","0.004","23.265","0.002","90","","99.125","0.002","90","","14155","2","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H131 Ag4 F24 N21 P4 -","- C130 H131 Ag4 F24 N21 P4 -","- C520 H524 Ag16 F96 N84 P16 -","4","1","","Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions","Organometallics","2015","34","13","3167","","10.1021/acs.organomet.5b00188","","","0.71073","MoKα","","0.086","0.0695","","","0.1815","0.1918","","","","","","1.038","","","","has coordinates","152887","2020-10-21","18:00:00",""
"4086008","11.6665","0.0017","15.88","0.002","20.137","0.003","105.738","0.003","96.198","0.003","102.474","0.003","3450.5","0.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H72 Ag2 F12 N10 P2 -","- C52 H72 Ag2 F12 N10 P2 -","- C104 H144 Ag4 F24 N20 P4 -","2","1","","Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions","Organometallics","2015","34","13","3167","","10.1021/acs.organomet.5b00188","","","0.71073","MoKα","","0.1273","0.0847","","","0.2287","0.2496","","","","","","1.043","","","","has coordinates,has disorder","152887","2020-10-21","18:00:00",""
"4086009","21.1029","0.001","24.1284","0.0011","22.9785","0.0011","90","","111.674","0.001","90","","10873","0.9","173","2","173.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C82 H84 Ag4 Cl2 F24 N14 O2 P4 S2 -","- C82 H84 Ag4 Cl2 F24 N14 O2 P4 S2 -","- C328 H336 Ag16 Cl8 F96 N56 O8 P16 S8 -","4","0.5","","Liu, Qing-Xiang; Huo, Ran; Liu, Jun; Wei, Qing; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Tetranuclear Silver(I) Complexes and Intramolecular Extended π‒π Interactions","Organometallics","2015","34","13","3167","","10.1021/acs.organomet.5b00188","","","0.71073","MoKα","","0.0667","0.049","","","0.1237","0.1312","","","","","","1.102","","","","has coordinates,has disorder","152887","2020-10-21","18:00:00",""
"4086010","9.2672","0.0005","13.6532","0.0006","32.043","0.0016","90","","90","","90","","4054.3","0.3","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 F26 N2 -","- C36 H34 F26 N2 -","- C144 H136 F104 N8 -","4","1","","Hošek, Jan; Rybáčková, Markéta; Čejka, Jan; Cvačka, Josef; Kvíčala, Jaroslav","Synthesis of Heavy Fluorous Ruthenium Metathesis Catalysts Using the Stereoselective Addition of Polyfluoroalkyllithium to Sterically Hindered Diimines","Organometallics","2015","34","13","3327","","10.1021/acs.organomet.5b00325","","","1.54184","CuKα","","0.091","0.0854","","0.2547","0.2507","0.2547","","","","","","0.9974","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086011","11.1744","0.0004","12.2338","0.0003","24.4267","0.0007","82.152","0.002","86.678","0.003","70.303","0.003","3114.17","0.17","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 Cl2 F39 N2 O Ru -","- C53 H42 Cl2 F39 N2 O Ru -","- C106 H84 Cl4 F78 N4 O2 Ru2 -","2","1","","Hošek, Jan; Rybáčková, Markéta; Čejka, Jan; Cvačka, Josef; Kvíčala, Jaroslav","Synthesis of Heavy Fluorous Ruthenium Metathesis Catalysts Using the Stereoselective Addition of Polyfluoroalkyllithium to Sterically Hindered Diimines","Organometallics","2015","34","13","3327","","10.1021/acs.organomet.5b00325","","","1.5418","CuKα","","0.1168","0.1058","","0.3075","0.2903","0.3075","","","","","","0.9691","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086012","9.537","0.004","11.805","0.005","16.938","0.007","77.075","0.011","81.444","0.008","83.505","0.01","1831.6","1.3","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H50 Al Cl2 N O4 Ti -","- C35 H50 Al Cl2 N O4 Ti -","- C70 H100 Al2 Cl4 N2 O8 Ti2 -","2","1","","Nomura, Kotohiro; Tewasekson, Udomchai; Takii, Yuki","Synthesis of Titanium Complexes Containing an Amine Triphenolate Ligand of the Type [TiX{(O-2,4-R2C6H2)-6-CH2}3N] and the Ti‒Al Heterobimetallic Complexes with AlMe3: Effect of a Terminal Donor Ligand in Ethylene Polymerization","Organometallics","2015","34","13","3272","","10.1021/acs.organomet.5b00303","","","0.71075","MoKα","","","0.0539","","","","0.153","","","","","","1.041","","","","has coordinates","152884","2020-10-21","18:00:00",""
"4086013","9.9894","0.0005","11.8733","0.00017","15.8248","0.0006","70.262","0.016","81.4","0.02","70.669","0.015","1665.6","0.2","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 Al F6 N O4 Ti -","- C33 H40 Al F6 N O4 Ti -","- C66 H80 Al2 F12 N2 O8 Ti2 -","2","1","","Nomura, Kotohiro; Tewasekson, Udomchai; Takii, Yuki","Synthesis of Titanium Complexes Containing an Amine Triphenolate Ligand of the Type [TiX{(O-2,4-R2C6H2)-6-CH2}3N] and the Ti‒Al Heterobimetallic Complexes with AlMe3: Effect of a Terminal Donor Ligand in Ethylene Polymerization","Organometallics","2015","34","13","3272","","10.1021/acs.organomet.5b00303","","","0.71075","MoKα","","","0.053","","","","0.1418","","","","","","1.057","","","","has coordinates","152884","2020-10-21","18:00:00",""
"4086014","16.168","0.006","8.074","0.002","20.767","0.008","90","","118.183","0.017","90","","2389.5","1.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F10 N3 O Re -","- C23 H16 F10 N3 O Re -","- C92 H64 F40 N12 O4 Re4 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.","Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion","Organometallics","2015","34","13","3152","","10.1021/acs.organomet.5b00177","","","0.71073","MoKα","","0.0767","0.0491","","","0.1023","0.1146","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086015","12.498","0.007","13.021","0.004","14.735","0.005","90","","98.19","0.03","90","","2373.5","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F10 N3 O Re -","- C24 H18 F10 N3 O Re -","- C96 H72 F40 N12 O4 Re4 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.","Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion","Organometallics","2015","34","13","3152","","10.1021/acs.organomet.5b00177","","","0.71073","MoKα","","0.0621","0.0387","","","0.0606","0.066","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086016","8.113","0.003","13.613","0.003","24.25","0.009","90","","96.911","0.013","90","","2658.8","1.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F10 N3 O2 Re -","- C25 H18 F10 N3 O2 Re -","- C100 H72 F40 N12 O8 Re4 -","4","1","","Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.","Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion","Organometallics","2015","34","13","3152","","10.1021/acs.organomet.5b00177","","","0.71073","MoKα","","0.0657","0.0385","","","0.0782","0.0844","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086017","24.0529","0.0011","11.2699","0.0004","22.7761","0.001","90","","120.393","0.006","90","","5325.5","0.5","173","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H90 O Si4 Ti2 -","- C52 H90 O Si4 Ti2 -","- C208 H360 O4 Si16 Ti8 -","4","0.5","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","x-ray","0.71073","MoKα","","0.053","0.0427","","","0.117","0.1243","","","","","","1.071","","","","has coordinates,has disorder","170826","2020-10-21","18:00:00",""
"4086018","23.4629","0.0016","11.6983","0.0008","39.655","0.003","90","","92.283","0.002","90","","10875.7","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H93 O Si4 Ti2 -","- C53 H93 O Si4 Ti2 -","- C424 H744 O8 Si32 Ti16 -","8","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71075","MoKα","","0.0591","0.0411","","","0.1003","0.1107","","","","","","1.021","","","","has coordinates,has disorder","170826","2020-10-21","18:00:00",""
"4086019","14.1432","0.0008","14.1716","0.0007","18.387","0.0009","88.928","0.004","69.27","0.005","65.223","0.005","3092.8","0.3","173","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H91 S2 Si4 Ti2 -","- C53 H91 S2 Si4 Ti2 -","- C106 H182 S4 Si8 Ti4 -","2","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71073","MoKα","","0.0959","0.0597","","","0.1463","0.1637","","","","","","0.984","","","","has coordinates","170826","2020-10-21","18:00:00",""
"4086020","15.0818","0.0011","21.0193","0.0015","46.066","0.003","78.989","0.003","84.856","0.003","80.53","0.003","14113.5","1.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H92 S2 Si4 Ti2 -","- C53 H92 S2 Si4 Ti2 -","- C530 H920 S20 Si40 Ti20 -","10","5","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71073","MoKα","","0.0906","0.0738","","","0.1913","0.2073","","","","","","1.032","","","","has coordinates","170826","2020-10-21","18:00:00",""
"4086021","11.283","0.002","12.867","0.003","21.651","0.004","99.66","0.03","91.04","0.03","115.71","0.03","2777.2","1.3","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H92 S Si4 Ti2 -","- C52 H92 S Si4 Ti2 -","- C104 H184 S2 Si8 Ti4 -","2","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71073","MoKα","","0.0588","0.0456","","","0.1214","0.1276","","","","","","1.045","","","","has coordinates","170826","2020-10-21","18:00:00",""
"4086022","15.714","0.002","15.714","0.002","24.66","0.005","90","","90","","90","","6089.3","1.7","100","2","100","2","","","","","","","","5","P 42/n b c","-P 4ac 2b","133","Compound_13","","","- C52 H92 S2 Si4 Ti2 -","- C52 H92 S2 Si4 Ti2 -","- C208 H368 S8 Si16 Ti8 -","4","","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","The Reductive Activation of CO2 Across a Ti=Ti Double Bond: Synthetic, Structural, and Mechanistic Studies.","Organometallics","2015","34","20","4816","4829","10.1021/acs.organomet.5b00315","","","0.71073","MoKα","","0.1026","0.0864","","","0.171","0.1786","","","","","","1.28","","","","has coordinates,has disorder","170826","2020-10-21","18:00:00",""
"4086023","16.678","0.007","11.678","0.005","22.492","0.01","90","","102.067","0.008","90","","4284","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(t-butyl)amidato}rhodium(I) dimer","","- C52 H60 N2 O2 Rh2 -","- C52 H60 N2 O2 Rh2 -","- C208 H240 N8 O8 Rh8 -","4","0.5","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility","Organometallics","2015","34","10","1783","","10.1021/om501209c","","","0.71073","MoKα","","0.0225","0.0207","","","0.0536","0.0549","","","","","","0.989","","","","has coordinates","140039","2020-10-21","18:00:00",""
"4086024","11.07","0.002","24.216","0.004","17.107","0.004","90","","94.822","0.005","90","","4569.7","1.5","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N-(2,6-diisopropylphenyl)phenylamidate]bis(triphenylphosphine)rhodium(I)","","- C55 H52 N O P2 Rh -","- C55 H52 N O P2 Rh0.9775 -","- C220 H208 N4 O4 P8 Rh3.91 -","4","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility","Organometallics","2015","34","10","1783","","10.1021/om501209c","","","0.71073","MoKα","","0.0797","0.055","","","0.1133","0.1256","","","","","","1.037","","","","has coordinates","140039","2020-10-21","18:00:00",""
"4086025","10.8229","0.0014","13.5515","0.0018","16.978","0.002","96.647","0.003","103.89","0.003","109.96","0.003","2218.1","0.5","90","","90","","","","","","","","","6","P -1","-P 1","2","","[N-(2,6-diisopropylphenyl)t-butylamidate]bis(triphenylphosphine)rhodium(I)","","- C53 H56 N O P2 Rh -","- C53 H56 N O P2 Rh -","- C106 H112 N2 O2 P4 Rh2 -","2","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility","Organometallics","2015","34","10","1783","","10.1021/om501209c","","","0.71073","MoKα","","0.0372","0.0289","","","0.0656","0.0691","","","","","","1.031","","","","has coordinates","140039","2020-10-21","18:00:00",""
"4086026","10.0085","0.0008","11.6612","0.001","13.1148","0.0011","90","","90","","90","","1530.6","0.2","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H33 N5 Pt -","- C28 H33 N5 Pt -","- C56 H66 N10 Pt2 -","2","0.5","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.033","0.0301","","","0.0689","0.0699","","","","","","1.136","","","","has coordinates","140040","2020-10-21","18:00:00",""
"4086027","10.0589","0.0002","11.5993","0.0003","13.1546","0.0003","90","","90","","90","","1534.83","0.06","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H33 N5 Pd -","- C28 H33 N5 Pd -","- C56 H66 N10 Pd2 -","2","0.5","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0274","0.0248","","","0.0605","0.0617","","","","","","1.036","","","","has coordinates","140040","2020-10-21","18:00:00",""
"4086028","27.0831","0.0012","9.1351","0.0004","29.5853","0.0013","90","","100.023","0.004","90","","7207.9","0.6","170","2","170","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H52.13 Cl0.87 N5 O Pt -","- C37 H52.127 Cl0.873 N5 O Pt -","- C296 H417.016 Cl6.984 N40 O8 Pt8 -","8","1","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0505","0.0386","","","0.0943","0.1025","","","","","","1.124","","","","has coordinates,has disorder","140040","2020-10-21","18:00:00",""
"4086029","25.938","0.0012","14.657","0.0006","13.8367","0.0006","90","","93.648","0.003","90","","5249.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cl N5 Pd -","- C28 H32 Cl N5 Pd -","- C224 H256 Cl8 N40 Pd8 -","8","2","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0499","0.0303","","","0.0638","0.0717","","","","","","1.025","","","","has coordinates,has disorder","140040","2020-10-21","18:00:00",""
"4086030","10.6602","0.0002","16.1278","0.0003","25.0995","0.0005","90","","99.22","0.001","90","","4259.49","0.14","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 K2 N10 O6 Pd2 -","- C80 H112 K2 N10 O6 Pd2 -","- C160 H224 K4 N20 O12 Pd4 -","2","0.5","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0447","0.0359","","","0.0952","0.099","","","","","","1.05","","","","has coordinates,has disorder","140040","2020-10-21","18:00:00",""
"4086035","14.217","0.003","15.491","0.003","19.366","0.004","89.3","0.03","88.71","0.03","67.67","0.03","3944.2","1.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H99 B F20 Si4 Ti2 -","- C79 H99 B F20 Si4 Ti2 -","- C158 H198 B2 F40 Si8 Ti4 -","2","1","","Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N","Bonding in Complexes of Bis(pentalene)dititanium, Ti2(C8H6)2.","Organometallics","2015","34","20","4830","4843","10.1021/acs.organomet.5b00363","","","0.71073","MoKα","","0.0793","0.0562","","","0.1478","0.1655","","","","","","1.025","","","","has coordinates","170825","2020-10-21","18:00:00",""
"4086036","24.9741","0.0003","24.9741","0.0003","8.0997","0.0001","90","","90","","90","","5051.83","0.11","100","","100","","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C23 H39 Br N Ni O5 P -","- C23 H39 Br N Ni O5 P -","- C184 H312 Br8 N8 Ni8 O40 P8 -","8","","","Smith, Jacob B.; Miller, Alexander J. M.","Connecting Neutral and Cationic Pathways in Nickel-Catalyzed Insertion of Benzaldehyde into a C‒H Bond of Acetonitrile","Organometallics","2015","34","19","4669","","10.1021/acs.organomet.5b00405","","","1.54178","CuKα","","0.0454","0.0313","","","0.0675","0.0729","","","","","","1.027","","","","has coordinates","170107","2020-10-21","18:00:00",""
"4086037","30.124","0.003","24.288","0.003","17.0643","0.0019","90","","123.492","0.001","90","","10412","2","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H31 F10 Ir N6 P Pt -","- C50 H31 F10 Ir N6 P Pt -","- C400 H248 F80 Ir8 N48 P8 Pt8 -","8","1","","Shiba, Yuichiro; Inagaki, Akiko; Akita, Munetaka","C‒C Bond Forming Reductive Elimination from Diarylplatinum Complexes Driven by Visible-Light-Mediated Photoredox Reactions","Organometallics","2015","34","20","4844","","10.1021/om501080v","","","0.71073","MoKα","","0.0937","0.066","","","0.1615","0.1833","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086038","11.1588","0.0002","21.6115","0.0002","12.8659","0.0002","90","","90.509","0.001","90","","3102.6","0.08","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 N -","- C42 H35 N -","- C168 H140 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.0677","0.0544","","","0.1284","0.138","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086039","9.8112","0.0004","21.3085","0.0008","13.031","0.0005","90","","93.638","0.002","90","","2718.8","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 F N -","- C38 H26 F N -","- C152 H104 F4 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.1039","0.0707","","","0.122","0.1349","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086040","8.3628","0.0002","26.2215","0.0008","17.7784","0.0005","90","","95.986","0.001","90","","3877.28","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N2 -","- C50 H46 N2 -","- C200 H184 N8 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.107","0.0698","","","0.1283","0.1448","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086041","10.3205","0.0003","7.1043","0.0002","26.1856","0.0008","90","","90.961","0.002","90","","1919.66","0.1","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N -","- C25 H23 N -","- C100 H92 N4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.0608","0.0499","","","0.1051","0.111","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086042","11.1769","0.0003","11.755","0.0003","5.8962","0.0002","90","","93.091","0.002","90","","773.54","0.04","133","2","133","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H17 N -","- C22 H17 N -","- C44 H34 N2 -","2","0.5","","Younis, Fadi M.; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","s-Block-Metal-Mediated Hydroamination of Diphenylbutadiyne with Primary Arylamines Using a Dipotassium Tetrakis(amino)calciate Precatalyst","Organometallics","2015","34","14","3577","","10.1021/acs.organomet.5b00449","","","0.71073","MoKα","","0.0288","0.0285","","","0.0727","0.0731","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086043","13.267","0.006","16.237","0.008","7.83","0.004","90","","90","","90","","1686.7","1.4","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H22 Mo N2 O4 -","- C15 H22 Mo N2 O4 -","- C60 H88 Mo4 N8 O16 -","4","0.5","","Kyran, Samuel J.; Sanchez, Sergio G.; Arp, Christopher J.; Darensbourg, Donald J.","Syntheses and Structures of [CH2(NCnH2n)2]Mo(CO)4(n= 4,5) Complexes with Bis(cycloamine) Ligands Easily Prepared from CH2Cl2","Organometallics","2015","34","14","3598","","10.1021/acs.organomet.5b00396","","","0.71073","MoKα","","0.0711","0.0495","","","0.1262","0.1385","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086044","31.66","0.03","7.654","0.007","12.359","0.011","90","","94.826","0.011","90","","2984","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 Mo N2 O4 -","- C13 H18 Mo N2 O4 -","- C104 H144 Mo8 N16 O32 -","8","1","","Kyran, Samuel J.; Sanchez, Sergio G.; Arp, Christopher J.; Darensbourg, Donald J.","Syntheses and Structures of [CH2(NCnH2n)2]Mo(CO)4(n= 4,5) Complexes with Bis(cycloamine) Ligands Easily Prepared from CH2Cl2","Organometallics","2015","34","14","3598","","10.1021/acs.organomet.5b00396","","","0.71073","MoKα","","0.0425","0.0317","","","0.0682","0.0715","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086045","11.179","0.0003","12.6005","0.0004","17.9554","0.0005","95.003","0.001","93.959","0.001","112.534","0.001","2312.74","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.5 H57 Cl2 P2 Rh -","- C55.5 H57 Cl2 P2 Rh -","- C111 H114 Cl4 P4 Rh2 -","2","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.0519","0.0388","","","0.1012","0.1091","","","","","","0.892","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086046","10.7191","0.0008","15.4122","0.0012","16.0465","0.0012","82.456","0.004","70.624","0.004","74.638","0.004","2408.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H54 Cl3 N P2 Rh Sn -","- C53 H54 Cl3 N P2 Rh Sn -","- C106 H108 Cl6 N2 P4 Rh2 Sn2 -","2","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.0951","0.0587","","","0.124","0.1416","","","","","","1.051","","","","has coordinates","152902","2020-10-21","18:00:00",""
"4086047","19.6864","0.0009","53.858","0.002","10.8386","0.0005","90","","90","","90","","11491.8","0.9","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","Integration of JA205","","","- C66 H69 Cl N P3 Rh -","- C66 H69 Cl N P3 Rh -","- C528 H552 Cl8 N8 P24 Rh8 -","8","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.074","0.0534","","","0.1291","0.1436","","","","","","1.06","","","","has coordinates","152902","2020-10-21","18:00:00",""
"4086048","32.485","0.0005","14.6044","0.0002","13.3357","0.0002","90","","90","","90","","6326.78","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H76 Cl N P3 Rh -","- C76 H76 Cl N P3 Rh -","- C304 H304 Cl4 N4 P12 Rh4 -","4","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.0509","0.0361","","","0.0689","0.0721","","","","","","0.945","","","","has coordinates,has disorder","152902","2020-10-21","18:00:00",""
"4086049","11.239","0.0006","21.7189","0.0011","26.2123","0.0014","75.986","0.003","80.184","0.002","88.534","0.003","6116.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H166 B22 N6 P4 Rh2 Sn2 -","- C114 H166 B22 N6 P4 Rh2 Sn2 -","- C228 H332 B44 N12 P8 Rh4 Sn4 -","2","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.0577","0.0373","","","0.0923","0.0999","","","","","","1.01","","","","has coordinates,has disorder","152902","2020-10-21","18:00:00",""
"4086050","11.2382","0.0004","21.5015","0.0008","26.2013","0.0009","103.483","0.002","99.467","0.002","90.65","0.002","6064.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H164 B22 Ge2 N6 P4 Rh2 -","- C114 H164 B22 Ge2 N6 P4 Rh2 -","- C228 H328 B44 Ge4 N12 P8 Rh4 -","2","1","","Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars","Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction","Organometallics","2015","34","14","3629","","10.1021/acs.organomet.5b00437","","","0.71073","MoKα","","0.1316","0.0625","","","0.149","0.1731","","","","","","1.052","","","","has coordinates,has disorder","152902","2020-10-21","18:00:00",""
"4086051","20.664","0.0018","14.8519","0.0012","6.9524","0.0007","90","","90","","90","","2133.7","0.3","110","","110","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H18.92 Br3 Cu2.08 N2 -","- C21 H18.918 Br3 Cu2.082 N2 -","- C84 H75.672 Br12 Cu8.328 N8 -","4","0.5","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0645","0.0509","","","0.0888","0.0938","","","","","","1.131","","","","has coordinates,has disorder","152903","2020-10-21","18:00:00",""
"4086052","9.3864","0.0004","9.9323","0.0004","11.3331","0.0006","69.308","0.004","80.86","0.004","69.207","0.004","923.36","0.08","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C42 H42 Br2 N4 O2 -","2","1","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0482","0.0392","","","0.0929","0.0978","","","","","","1.045","","","","has coordinates","152903","2020-10-21","18:00:00",""
"4086053","9.4035","0.0005","9.5936","0.0004","11.2065","0.0007","69.666","0.005","82.618","0.005","69.325","0.005","886.9","0.09","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36.62 Br2 Cu1.38 N4 -","- C42 H36.62 Br2 Cu1.38 N4 -","- C42 H36.62 Br2 Cu1.38 N4 -","1","0.5","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0543","0.0493","","","0.0996","0.1013","","","","","","1.325","","","","has coordinates,has disorder","152903","2020-10-21","18:00:00",""
"4086054","20.7826","0.0007","14.9253","0.0004","6.9568","0.0002","90","","90","","90","","2157.91","0.11","110","0.1","110","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H18.91 Br3 Cu2.09 N2 -","- C21 H18.907 Br3 Cu2.093 N2 -","- C84 H75.628 Br12 Cu8.372 N8 -","4","0.5","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0624","0.0457","","","0.0854","0.0927","","","","","","1.064","","","","has coordinates,has disorder","152903","2020-10-21","18:00:00",""
"4086055","9.5428","0.0003","11.147","0.0004","11.8115","0.0004","74.193","0.003","89.234","0.003","83.652","0.003","1201.32","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br2 Cl3 Cu N2 -","- C22 H20 Br2 Cl3 Cu N2 -","- C44 H40 Br4 Cl6 Cu2 N4 -","2","1","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","0.7107","MoKα","","0.0314","0.025","","","0.0529","0.0553","","","","","","1.027","","","","has coordinates","152903","2020-10-21","18:00:00",""
"4086056","10.0045","0.0004","13.9404","0.0005","16.4362","0.0006","92.176","0.003","94.035","0.003","90.872","0.003","2284.6","0.15","109.9","0.2","109.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cu I2 N2 -","- C25 H19 Cu I2 N2 -","- C100 H76 Cu4 I8 N8 -","4","2","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","x-ray","0.71073","MoKα","","0.0741","0.056","","","0.1407","0.1509","","","","","","1.077","","","","has coordinates","152903","2020-10-21","18:00:00",""
"4086057","18.5542","0.0006","9.561","0.0002","20.4815","0.0007","90","","99.08","0.003","90","","3587.82","0.19","110","0.14","110","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Br4 N4 Pd2 -","- C38 H28 Br4 N4 Pd2 -","- C152 H112 Br16 N16 Pd8 -","4","1","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","x-ray","0.7107","MoKα","","0.0765","0.0461","","","0.1049","0.1109","","","","","","0.996","","","","has coordinates","152903","2020-10-21","18:00:00",""
"4086058","20.4015","0.0007","3.8868","0.0001","19.3384","0.0007","90","","99.332","0.004","90","","1513.17","0.09","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br Cu N2 -","- C19 H14 Br Cu N2 -","- C76 H56 Br4 Cu4 N8 -","4","1","","Williams, Thomas J.; Bray, Joshua T. W.; Lake, Benjamin R. M.; Willans, Charlotte E.; Rajabi, Nasir A.; Ariafard, Alireza; Manzini, Chiara; Bellina, Fabio; Whitwood, Adrian C.; Fairlamb, Ian J. S.","Mechanistic Elucidation of the Arylation of Non-SpectatorN-Heterocyclic Carbenes at Copper Using a Combined Experimental and Computational Approach","Organometallics","2015","34","14","3497","","10.1021/acs.organomet.5b00093","","","1.54184","CuKα","","0.0484","0.0436","","","0.1138","0.1163","","","","","","1.217","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086059","12.291","0.003","17.124","0.003","18.91","0.004","90","","96.62","0.03","90","","3953.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 Fe2 N3 O -","- C48 H47 Fe2 N3 O -","- C192 H188 Fe8 N12 O4 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","C‒N Coupling of Isocyanide Ligands Promoted by Acetylide Addition to Diiron Aminocarbyne Complexes","Organometallics","2015","34","14","3658","","10.1021/acs.organomet.5b00515","","","0.71073","MoKα","","0.1001","0.0574","","","0.1362","0.1626","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086060","22.661","0.005","12.612","0.003","23.523","0.005","90","","95.04","0.03","90","","6697","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 Fe4 N6 O2 -","- C80 H80 Fe4 N6 O2 -","- C320 H320 Fe16 N24 O8 -","4","0.5","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","C‒N Coupling of Isocyanide Ligands Promoted by Acetylide Addition to Diiron Aminocarbyne Complexes","Organometallics","2015","34","14","3658","","10.1021/acs.organomet.5b00515","","","0.71073","MoKα","","0.085","0.0516","","","0.1231","0.1392","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086061","13.6793","0.0002","19.1488","0.0003","19.1655","0.0003","90","","90","","90","","5020.25","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl Ni O2 P2 -","- C26 H31 Cl Ni O2 P2 -","- C208 H248 Cl8 Ni8 O16 P16 -","8","1","","Adhikary, Anubendu; Krause, Jeanette A.; Guan, Hairong","Configurational Stability and Stereochemistry of P-Stereogenic Nickel POCOP-Pincer Complexes","Organometallics","2015","34","14","3603","","10.1021/acs.organomet.5b00402","","","1.54178","CuKα","","0.0429","0.0334","","","0.0832","0.0894","","","","","","1.032","","","","has coordinates","154761","2020-10-21","18:00:00",""
"4086073","10.461","0.004","22.202","0.008","16.698","0.006","90","","102.608","0.005","90","","3785","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 F12 Fe2 N2 P2 S2 -","- C30 H46 F12 Fe2 N2 P2 S2 -","- C120 H184 F48 Fe8 N8 P8 S8 -","4","0.5","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.0907","0.0654","","","0.1783","0.1927","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086074","10.929","0.002","14.537","0.003","20.19","0.004","90","","90.248","0.007","90","","3207.7","1.1","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 F6 Fe2 N O P S2 -","- C26 H44 F6 Fe2 N O P S2 -","- C104 H176 F24 Fe8 N4 O4 P4 S8 -","4","1","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.0552","0.0402","","","0.1026","0.1105","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086075","9.248","0.002","16.132","0.004","21.788","0.006","90","","93.446","0.018","90","","3244.6","1.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 F6 Fe2 N O P S2 -","- C27 H44 F6 Fe2 N O P S2 -","- C108 H176 F24 Fe8 N4 O4 P4 S8 -","4","1","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.0691","0.0407","","","0.0922","0.1025","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086076","15.75","0.008","18.4","0.009","17.337","0.008","90","","90","","90","","5024","4","296","2","296","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C40 H54 Cl4 F12 Fe2 N2 P2 S2 -","- C40 H54 Cl4 F12 Fe2 N2 P2 S2 -","- C160 H216 Cl16 F48 Fe8 N8 P8 S8 -","4","0.25","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.1324","0.0709","","","0.1367","0.1604","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086077","20.9335","0.0009","11.3281","0.0004","15.6727","0.0005","90","","106.173","0.002","90","","3569.5","0.2","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H51 F6 Fe2 N2 O P S2 -","- C29 H51 F6 Fe2 N2 O P S2 -","- C116 H204 F24 Fe8 N8 O4 P4 S8 -","4","0.5","","Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping","Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes","Organometallics","2015","34","14","3571","","10.1021/acs.organomet.5b00387","","","0.71073","MoKα","","0.0735","0.0537","","","0.1334","0.151","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086078","15.6428","0.0009","15.6428","0.0009","65.761","0.004","90","","90","","120","","13935.7","1.4","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C81 H108 B Cu3 F4 N6 S -","- C81 H108 B Cu3 F4 N6 S -","- C486 H648 B6 Cu18 F24 N36 S6 -","6","0.333333","","Zhai, Junjie; Hopkins, Michael D.; Hillhouse, Gregory L.","Synthesis and Structure of a CuI3S Cluster Unsupported by Other Bridging Ligands","Organometallics","2015","34","19","4637","","10.1021/acs.organomet.5b00421","","","0.71073","MoKα","","0.0444","0.0317","","","0.065","0.0682","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086079","10.014","0.002","18.428","0.004","18.624","0.004","70.84","0.03","79.26","0.03","79.11","0.03","3159.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C127 H187 Cu4 N8 S4 Si4 -","- C127 H187 Cu4 N8 S4 Si4 -","- C127 H187 Cu4 N8 S4 Si4 -","1","0.5","","Zhai, Junjie; Hopkins, Michael D.; Hillhouse, Gregory L.","Synthesis and Structure of a CuI3S Cluster Unsupported by Other Bridging Ligands","Organometallics","2015","34","19","4637","","10.1021/acs.organomet.5b00421","","","0.71073","MoKα","","0.1065","0.0659","","","0.1556","0.1876","","","","","","1.009","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086080","12.177","0.002","17.032","0.003","17.12","0.003","75.97","0.03","72.58","0.03","74.18","0.03","3209.1","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C65 H97 B Cu2 F4 N4 O2 S Si -","- C65 H97 B Cu2 F4 N4 O2 S Si -","- C130 H194 B2 Cu4 F8 N8 O4 S2 Si2 -","2","1","","Zhai, Junjie; Hopkins, Michael D.; Hillhouse, Gregory L.","Synthesis and Structure of a CuI3S Cluster Unsupported by Other Bridging Ligands","Organometallics","2015","34","19","4637","","10.1021/acs.organomet.5b00421","","","0.71073","MoKα","","0.1536","0.0723","","","0.1388","0.1692","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086081","17.119","0.003","14.86","0.003","11.625","0.002","90","","95","0.03","90","","2946","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H50 Cl N O P2 Ru -","- C27 H50 Cl N O P2 Ru -","- C108 H200 Cl4 N4 O4 P8 Ru4 -","4","1","","Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.","Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline","Organometallics","2015","34","14","3611","","10.1021/acs.organomet.5b00401","","","0.71073","MoKα","","0.063","0.0436","","","0.0727","0.0767","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086082","44.471","0.009","9.0287","0.0018","18.372","0.004","90","","99.18","0.03","90","","7282","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H54 F3 N O2 P2 Ru -","- C37 H54 F3 N O2 P2 Ru -","- C296 H432 F24 N8 O16 P16 Ru8 -","8","1","","Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.","Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline","Organometallics","2015","34","14","3611","","10.1021/acs.organomet.5b00401","","","0.71073","MoKα","","0.0562","0.0408","","","0.0802","0.0841","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086083","10.538","0.002","14.021","0.003","15.444","0.003","63.61","0.03","81.98","0.03","75.88","0.03","1981.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 N O4 P2 Ru -","- C40 H61 N O4 P2 Ru -","- C80 H122 N2 O8 P4 Ru2 -","2","1","","Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.","Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline","Organometallics","2015","34","14","3611","","10.1021/acs.organomet.5b00401","","","0.71073","MoKα","","0.1734","0.1129","","","0.2106","0.2322","","","","","","1.126","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086084","16.72","0.003","20.513","0.004","23.998","0.008","90","","120.08","0.02","90","","7122","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 N2 O3 P2 Ru -","- C34 H54 N2 O3 P2 Ru -","- C272 H432 N16 O24 P16 Ru8 -","8","2","","Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.","Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline","Organometallics","2015","34","14","3611","","10.1021/acs.organomet.5b00401","","","0.71073","MoKα","","0.1292","0.0771","","","0.1317","0.1471","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086085","9.5181","0.0019","12.048","0.002","17.701","0.004","83.19","0.03","85.91","0.03","86.66","0.03","2007.8","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H56 Cl2 F3 N O P2 Ru S -","- C38 H56 Cl2 F3 N O P2 Ru S -","- C76 H112 Cl4 F6 N2 O2 P4 Ru2 S2 -","2","1","","Abdel-Rahman, Obadah S.; Maurer, Jörg; Záliš, Stanislav; Winter, Rainer F.","Ruthenium Styryl Complexes with Ligands Derived from 2-Hydroxy- and 2-Mercaptopyridine and 2-Hydroxy- and 2-Mercaptoquinoline","Organometallics","2015","34","14","3611","","10.1021/acs.organomet.5b00401","","","0.71073","MoKα","","0.0519","0.034","","","0.065","0.0687","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086086","14.909","0.008","15.673","0.008","29.825","0.015","90","","103.178","0.01","90","","6786","6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H204 Al2 O15 Si8 Y2 -","- C117 H204 Al2 O15 Si8 Y2 -","- C234 H408 Al4 O30 Si16 Y4 -","2","0.5","","Arndt, Stefan; Kramer, Mathias U.; Fegler, Waldemar; Nakajima, Yumiko; Del Rosal, Iker; Poteau, Romuald; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Yttrium Dihydride Cation [YH2(THF)2]+n: Aggregate Formation and Reaction with (NNNN)-Type Macrocycles","Organometallics","2015","34","15","3739","","10.1021/acs.organomet.5b00422","","","0.71073","MoKα","","0.1406","0.08","","","0.2208","0.2327","","","","","","1.056","","","","has coordinates,has disorder","154731","2020-10-21","18:00:00",""
"4086087","17.981","0.009","16.851","0.008","25.34","0.009","90","","132.16","0.02","90","","5691","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 B F24 N4 O Si Y -","- C52 H58 B F24 N4 O Si Y -","- C208 H232 B4 F96 N16 O4 Si4 Y4 -","4","1","","Arndt, Stefan; Kramer, Mathias U.; Fegler, Waldemar; Nakajima, Yumiko; Del Rosal, Iker; Poteau, Romuald; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Yttrium Dihydride Cation [YH2(THF)2]+n: Aggregate Formation and Reaction with (NNNN)-Type Macrocycles","Organometallics","2015","34","15","3739","","10.1021/acs.organomet.5b00422","","","0.71073","MoKα","","0.1224","0.061","","","0.1322","0.1566","","","","","","1.027","","","","has coordinates,has disorder","154731","2020-10-21","18:00:00",""
"4086088","12.3057","0.0008","13.0132","0.0008","16.3156","0.001","102.721","0.0015","94.4327","0.0015","97.0774","0.0015","2514.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 B F24 N4 Y -","- C44 H42 B F24 N4 Y -","- C88 H84 B2 F48 N8 Y2 -","2","1","","Arndt, Stefan; Kramer, Mathias U.; Fegler, Waldemar; Nakajima, Yumiko; Del Rosal, Iker; Poteau, Romuald; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Yttrium Dihydride Cation [YH2(THF)2]+n: Aggregate Formation and Reaction with (NNNN)-Type Macrocycles","Organometallics","2015","34","15","3739","","10.1021/acs.organomet.5b00422","","","0.71073","MoKα","","0.1109","0.0573","","","0.1131","0.1254","","","","","","0.862","","","","has coordinates,has disorder","154731","2020-10-21","18:00:00",""
"4086089","12.5841","0.001","19.2813","0.0015","22.6717","0.0017","90","","96.5372","0.0016","90","","5465.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H102 B2 F48 N8 O3 Y2 -","- C98 H102 B2 F48 N8 O3 Y2 -","- C196 H204 B4 F96 N16 O6 Y4 -","2","0.5","","Arndt, Stefan; Kramer, Mathias U.; Fegler, Waldemar; Nakajima, Yumiko; Del Rosal, Iker; Poteau, Romuald; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Yttrium Dihydride Cation [YH2(THF)2]+n: Aggregate Formation and Reaction with (NNNN)-Type Macrocycles","Organometallics","2015","34","15","3739","","10.1021/acs.organomet.5b00422","","","0.71073","MoKα","","0.1489","0.0907","","","0.2429","0.2782","","","","","","1.069","","","","has coordinates,has disorder","154731","2020-10-21","18:00:00",""
"4086090","8.9641","0.0007","16.5715","0.0013","19.2964","0.0011","90","","95.1977","0.0015","90","","2854.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Mo N O3 Si -","- C31 H33 Mo N O3 Si -","- C124 H132 Mo4 N4 O12 Si4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71069","MoKα","","0.081","0.0658","","","0.1199","0.1309","","","","","","1.277","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086091","8.9967","0.0004","16.5816","0.0006","19.3808","0.0011","90","","95.1124","0.0011","90","","2879.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O3 Si W -","- C31 H33 N O3 Si W -","- C124 H132 N4 O12 Si4 W4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71073","MoKα","","0.0419","0.0372","","","0.0953","0.1027","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086092","8.6869","0.0003","18.5852","0.0003","19.3204","0.0002","64.028","0.003","89.2027","0.0015","88.1252","0.0019","2802.72","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 Mo N2 O2 Si -","- C31 H34 Mo N2 O2 Si -","- C124 H136 Mo4 N8 O8 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71069","MoKα","","0.0835","0.0725","","","0.1893","0.1984","","","","","","1.154","","","","has coordinates","154734","2020-10-21","18:00:00",""
"4086093","16.1899","0.0006","9.3453","0.0004","19.8995","0.0009","90","","108.017","0.0009","90","","2863.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H33 N O2 S Si W -","- C31 H33 N O2 S Si W -","- C124 H132 N4 O8 S4 Si4 W4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71069","MoKα","","0.0444","0.039","","","0.1045","0.1116","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086094","14.0222","0.0009","8.879","0.0007","13.7537","0.001","90","","90","","90","","1712.4","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H19 Mo N O2 S -","- C17 H19 Mo N O2 S -","- C68 H76 Mo4 N4 O8 S4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71067","MoKα","","0.0703","0.065","","","0.1599","0.1632","","","","","","1.14","","","","has coordinates","154734","2020-10-21","18:00:00",""
"4086095","10.2516","0.0011","10.2689","0.0011","14.7077","0.0015","84.615","0.005","85.915","0.004","81.378","0.004","1521.5","0.3","100","2","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H43 N2 O2 P Si W2 -","- C28 H43 N2 O2 P Si W2 -","- C56 H86 N4 O4 P2 Si2 W4 -","2","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Huergo, Estefanía; Ruiz, Miguel A.; Vega, M. Fernanda","Thermally Stable Diazoalkane Derivatives of the Unsaturated Ditungsten Hydride [W2Cp2(H)(μ-PCy2)(CO)2]","Organometallics","2015","34","15","3833","","10.1021/acs.organomet.5b00466","","x-ray","0.71073","MoKα","","0.0496","0.036","","","0.0844","0.0923","","","","","","1.052","","","","has coordinates","154736","2020-10-21","18:00:00",""
"4086096","10.1453","0.0003","31.5276","0.0012","15.2744","0.0005","90","","91.38","0.003","90","","4884.2","0.3","158","5","158","5","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 N4 O2 P W2 -","- C50 H53 N4 O2 P W2 -","- C200 H212 N16 O8 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Huergo, Estefanía; Ruiz, Miguel A.; Vega, M. Fernanda","Thermally Stable Diazoalkane Derivatives of the Unsaturated Ditungsten Hydride [W2Cp2(H)(μ-PCy2)(CO)2]","Organometallics","2015","34","15","3833","","10.1021/acs.organomet.5b00466","","x-ray","1.54184","CuKα","","0.1009","0.0942","","","0.2338","0.2365","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086097","13.2483","0.0005","9.7816","0.0004","27.8356","0.0012","90","","100.542","0.003","90","","3546.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H31 Bi Br O0.5 P2 Pt -","- C37.5 H31 Bi Br O0.5 P2 Pt -","- C150 H124 Bi4 Br4 O2 P8 Pt4 -","4","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.0656","0.0434","","","0.0979","0.1035","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086098","16.6041","0.0004","12.2548","0.0003","18.1357","0.0006","90","","121.334","0.0019","90","","3152.03","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Bi I P2 Pt -","- C36 H28 Bi I P2 Pt -","- C144 H112 Bi4 I4 P8 Pt4 -","4","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.033","0.0267","","","0.0557","0.0577","","","","","","1.034","","","","has coordinates,has disorder","154730","2020-10-21","18:00:00",""
"4086099","10.9535","0.0005","19.1129","0.0008","18.0177","0.0008","90","","106.173","0.003","90","","3622.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Bi Cl Ir O2 P2 -","- C41 H35 Bi Cl Ir O2 P2 -","- C164 H140 Bi4 Cl4 Ir4 O8 P8 -","4","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.0794","0.0593","","","0.1458","0.159","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086100","10.031","0.001","13.0693","0.0012","13.4585","0.0013","80.455","0.003","78.372","0.003","86.488","0.003","1703.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 Bi Cl3 P2 Pt -","- C37 H30 Bi Cl3 P2 Pt -","- C74 H60 Bi2 Cl6 P4 Pt2 -","2","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.0163","0.015","","","0.0343","0.0348","","","","","","1.063","","","","has coordinates","154730","2020-10-21","18:00:00",""
"4086101","11.1085","0.0003","32.84","0.0007","15.7403","0.0004","90","","130.216","0.002","90","","4384.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 Bi Cl F6 Ir O2 P2 -","- C48 H37 Bi Cl F6 Ir O2 P2 -","- C192 H148 Bi4 Cl4 F24 Ir4 O8 P8 -","4","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.0689","0.047","","","0.0834","0.0893","","","","","","1.037","","","","has coordinates","154730","2020-10-21","18:00:00",""
"4086102","13.3288","0.0011","9.8081","0.0005","27.2889","0.0016","90","","100.032","0.006","90","","3512.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Bi Cl O P2 Pd -","- C40 H36 Bi Cl O P2 Pd -","- C160 H144 Bi4 Cl4 O4 P8 Pd4 -","4","1","","Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian","PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds","Organometallics","2015","34","15","3782","","10.1021/acs.organomet.5b00439","","","0.71073","MoKα","","0.0494","0.0378","","","0.1016","0.1205","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086103","10.0703","0.0014","12.6379","0.0016","17.354","0.003","105.93","0.005","91.422","0.005","112.251","0.004","1945","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","gww_3_21_tol_pent","","","- C41 H49 Ag Fe N2 O2 -","- C41 H49 Ag Fe N2 O2 -","- C82 H98 Ag2 Fe2 N4 O4 -","2","1","","Karunananda, Malkanthi K.; Parmelee, Sean R.; Waldhart, Greyson W.; Mankad, Neal P.","Experimental and Computational Characterization of the Transition State for C‒X Bimetallic Oxidative Addition at a Cu‒Fe Reaction Center","Organometallics","2015","34","15","3857","","10.1021/acs.organomet.5b00476","","","0.71073","","","0.1162","0.0763","","","0.1971","0.2189","","","","","","1.055","","","","has coordinates","154732","2020-10-21","18:00:00",""
"4086104","10.0164","0.0012","12.5848","0.0016","17.369","0.002","105.799","0.004","91.742","0.004","112.001","0.004","1931.7","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","gww_3_30_tol_pent_neg32C","","","- C41 H49 Au Fe N2 O2 -","- C41 H49 Au Fe N2 O2 -","- C82 H98 Au2 Fe2 N4 O4 -","2","1","","Karunananda, Malkanthi K.; Parmelee, Sean R.; Waldhart, Greyson W.; Mankad, Neal P.","Experimental and Computational Characterization of the Transition State for C‒X Bimetallic Oxidative Addition at a Cu‒Fe Reaction Center","Organometallics","2015","34","15","3857","","10.1021/acs.organomet.5b00476","","","0.71073","","","0.0479","0.0409","","","0.1022","0.1069","","","","","","0.935","","","","has coordinates","154732","2020-10-21","18:00:00",""
"4086105","12.5393","0.0004","14.864","0.0005","15.3966","0.0005","90","","90","","90","","2869.68","0.16","150","2","150","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Cl F6 O P2 Ru -","- C29 H31 Cl F6 O P2 Ru -","- C116 H124 Cl4 F24 O4 P8 Ru4 -","4","1","","Díaz-Álvarez, Alba E.; Vidal, Cristian; Suárez, Francisco J.; Díez, Josefina; Cadierno, Victorio; Crochet, Pascale","C‒H versus O‒H Bond Activation in Phosphino-alcohol Ligands: Synthesis of the α-Hydroxy-alkyl Ruthenium(II) Derivatives [RuCl{κ2(P,C)-Ph2PC6H4C(R)OH}(η6-arene)]","Organometallics","2015","34","15","3670","","10.1021/acs.organomet.5b00074","","","1.5418","CuKα","","0.0563","0.049","","","0.106","0.1233","","","","","","1.099","","","","has coordinates,has disorder","154726","2020-10-21","18:00:00",""
"4086106","10.9175","0.0003","16.5361","0.0005","29.2612","0.0009","90","","90","","90","","5282.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H55 Cl4 F6 N4 O2 P3 Pd -","- C54 H55 Cl4 F6 N4 O2 P3 Pd -","- C216 H220 Cl16 F24 N16 O8 P12 Pd4 -","4","1","","Bravo, Maritza J.; Ceder, Rosa M.; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Bayón, J. Carles; Peral, Daniel","Metal Complexes Containing Enantiopure Bis(diamidophosphite) Ligands in Asymmetric Allylic Substitution and Hydroformylation Reactions","Organometallics","2015","34","15","3799","","10.1021/acs.organomet.5b00457","","","0.71073","MoKα","","0.0481","0.0396","","","0.0926","0.0975","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086107","11.4594","0.0019","19.728","0.003","14.237","0.002","90","","101.343","0.011","90","","3155.7","0.8","100","2","100","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C58 H61 Cl6 F6 N4 O4 P3 Pd -","- C58 H61 Cl6 F6 N4 O4 P3 Pd -","- C116 H122 Cl12 F12 N8 O8 P6 Pd2 -","2","1","","Bravo, Maritza J.; Ceder, Rosa M.; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Bayón, J. Carles; Peral, Daniel","Metal Complexes Containing Enantiopure Bis(diamidophosphite) Ligands in Asymmetric Allylic Substitution and Hydroformylation Reactions","Organometallics","2015","34","15","3799","","10.1021/acs.organomet.5b00457","","x-ray","0.7107","MoKα","","0.0806","0.0659","","","0.1702","0.1807","","","","","","1.06","","","","has coordinates,has disorder","154727","2020-10-21","18:00:00",""
"4086108","12.8866","0.0004","16.105","0.0004","18.2293","0.0005","90","","93.386","0.002","90","","3776.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N3 Rh -","- C48 H52 N3 Rh -","- C192 H208 N12 Rh4 -","4","1","","Stateman, Leah M.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(III) Azuliporphyrins","Organometallics","2015","34","15","3842","","10.1021/acs.organomet.5b00433","","x-ray","0.71073","MoKα","","0.0453","0.0309","","","","0.0776","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086109","12.7545","0.0005","18.2458","0.0008","19.1984","0.0008","66.274","0.002","87.481","0.002","69.589","0.002","3809.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N3 Rh -","- C48 H52 N3 Rh -","- C192 H208 N12 Rh4 -","4","2","","Stateman, Leah M.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(III) Azuliporphyrins","Organometallics","2015","34","15","3842","","10.1021/acs.organomet.5b00433","","x-ray","0.71073","MoKα","","0.1035","0.0584","","","","0.165","","","","","","1.055","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086110","24.7302","0.0012","18.0224","0.0008","17.1286","0.0008","90","","95.809","0.003","90","","7595","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N3 Rh -","- C48 H52 N3 Rh -","- C384 H416 N24 Rh8 -","8","1","","Stateman, Leah M.; Ferrence, Gregory M.; Lash, Timothy D.","Rhodium(III) Azuliporphyrins","Organometallics","2015","34","15","3842","","10.1021/acs.organomet.5b00433","","x-ray","0.71073","MoKα","","0.0614","0.0338","","","","0.0735","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086111","30.005","0.003","7.8383","0.0008","24.439","0.003","90","","118.912","0.0012","90","","5031.4","0.9","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 Cl2 Dy K O1.5 -","- C24 H29 Cl2 Dy K O1.5 -","- C192 H232 Cl16 Dy8 K8 O12 -","8","1","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.038","0.0259","","","0.0543","0.0586","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086112","20.6636","0.0009","18.7523","0.0008","10.3659","0.0005","90","","90","","90","","4016.7","0.3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H45 Cl4 Ho3 O4 -","- C39 H37 Cl4 Ho3 O4 -","- C156 H148 Cl16 Ho12 O16 -","4","0.5","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0332","0.0304","","","0.0773","0.0789","","","","","","1.041","","","","has coordinates,has disorder","154729","2020-10-21","18:00:00",""
"4086113","11.6507","0.0011","11.6507","0.0011","10.0984","0.001","90","","90","","120","","1187.1","0.2","133","2","133","2","","","","","","","","4","P 63","P 6c","173","","","","- C31 H29 O Y -","- C30.9996 H28.9992 O Y -","- C61.9992 H57.9984 O2 Y2 -","2","0.333333","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0346","0.0335","","","0.0859","0.0866","","","","","","1.103","","","","has coordinates,has disorder","154729","2020-10-21","18:00:00",""
"4086114","11.7545","0.0011","27.696","0.003","30.708","0.003","116.043","0.0011","91.3051","0.0012","94.447","0.0012","8936.9","1.6","86","2","86","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.33 H93.67 Gd K N2 O7.33 Si4 -","- C50.3333 H93.6667 Gd K N2 O7.33333 Si4 -","- C302 H562 Gd6 K6 N12 O44 Si24 -","6","3","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.1076","0.0534","","","0.0955","0.1108","","","","","","0.996","","","","has coordinates,has disorder","154729","2020-10-21","18:00:00",""
"4086115","8.9914","0.0018","10.914","0.002","13.856","0.003","90.3","0.03","90.05","0.03","112.46","0.03","1256.6","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 N O3 Si5 -","- C15 H39 N O3 Si5 -","- C30 H78 N2 O6 Si10 -","2","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.1011","0.0806","","","0.2192","0.2324","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086116","35.146","0.006","35.146","0.006","11.619","0.002","90","","90","","120","","12429","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H45 N O3 Si5 -","- C18 H45 N O3 Si5 -","- C324 H810 N18 O54 Si90 -","18","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0726","0.0678","","","0.1673","0.1712","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086117","26.403","0.005","12.048","0.002","12.972","0.003","90","","90","","90","","4126.4","1.4","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H33 N O3 Si4 -","- C13 H33 N O3 Si4 -","- C104 H264 N8 O24 Si32 -","8","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0793","0.0753","","","0.1458","0.1478","","","","","","1.389","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086118","26.703","0.005","12.277","0.003","13.29","0.003","90","","90","","90","","4356.9","1.7","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C14 H35 N O3 Si4 -","- C14 H35 N O3 Si4 -","- C112 H280 N8 O24 Si32 -","8","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.1009","0.0812","","","0.1834","0.1968","","","","","","1.136","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086119","19.188","0.004","10.488","0.002","23.506","0.005","90","","90","","90","","4730.4","1.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H35 N O3 Si4 -","- C18 H35 N O3 Si4 -","- C144 H280 N8 O24 Si32 -","8","2","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0961","0.091","","","0.2093","0.2124","","","","","","1.229","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086120","11.342","0.002","20.852","0.004","15.232","0.003","90","","98.962","0.003","90","","3558.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 K N O9 Si4 -","- C24 H54 K N O9 Si4 -","- C96 H216 K4 N4 O36 Si16 -","4","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.105","0.095","","","0.2284","0.2359","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086121","11.94","0.004","17.559","0.006","18.011","0.006","90","","92.508","0.006","90","","3772","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 K N O9 Si4 -","- C27 H60 K N O9 Si4 -","- C108 H240 K4 N4 O36 Si16 -","4","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0835","0.0638","","","0.1461","0.155","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086122","10.79","0.002","10.863","0.002","16.42","0.003","93.348","0.003","105.422","0.003","99.085","0.003","1821.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H53 K N O9 Si3 -","- C30 H53 K N O9 Si3 -","- C60 H106 K2 N2 O18 Si6 -","2","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0423","0.0378","","","0.0901","0.0928","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086123","25.41","0.006","10.481","0.003","17.482","0.004","90","","90.779","0.004","90","","4655","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H72 N2 O6 Si10 -","- C28 H72 N2 O6 Si10 -","- C112 H288 N8 O24 Si40 -","4","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.1011","0.0907","","","0.2093","0.2145","","","","","","1.241","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086124","15.731","0.003","17.399","0.003","10.549","0.002","90","","92.113","0.004","90","","2885.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 N2 O6 Si5 -","- C18 H42 N2 O6 Si5 -","- C72 H168 N8 O24 Si20 -","4","0.5","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0322","0.0303","","","0.0803","0.0817","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086125","21.03","0.003","10.2241","0.0016","45.503","0.007","90","","92.743","0.003","90","","9773","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H129 F9 N3 O18 S3 Si15 -","- C57 H129 F9 N3 O18 S3 Si15 -","- C228 H516 F36 N12 O72 S12 Si60 -","4","1","","Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph","Oligosilanylsilatranes.","Organometallics","2015","34","15","3721","3731","10.1021/acs.organomet.5b00404","","","0.71073","MoKα","","0.0905","0.0646","","","0.1392","0.1508","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086126","22.808","0.002","10.6966","0.001","18.2194","0.0017","90","","97.917","0.005","90","","4402.6","0.7","288","2","288","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 P Si -","- C26 H25 P Si -","- C208 H200 P8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0614","0.0498","","","0.1337","0.143","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086127","14.6595","0.0005","16.7453","0.0007","18.1488","0.0007","90","","90","","90","","4455.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P S Si -","- C26 H25 P S Si -","- C208 H200 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0688","0.0424","","","0.0875","0.0976","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086128","14.664","0.002","16.986","0.004","18.343","0.003","90","","90","","90","","4568.9","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P Se Si -","- C26 H25 P Se Si -","- C208 H200 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0759","0.0485","","","0.1237","0.1357","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086129","8.5238","0.0002","15.6989","0.0004","8.8409","0.0002","90","","112.525","0.001","90","","1092.79","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 O2 P Si -","- C26 H25 O2 P Si -","- C52 H50 O4 P2 Si2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0504","0.0394","","","0.084","0.0884","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086130","14.756","0.003","16.989","0.003","18.406","0.004","90","","90","","90","","4614.2","1.6","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P S Si -","- C26 H25 O P S Si -","- C208 H200 O8 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0733","0.0354","","","0.081","0.1114","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086131","14.6073","0.0006","16.9212","0.0007","18.4091","0.0007","90","","90","","90","","4550.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P Se Si -","- C26 H25 O P Se Si -","- C208 H200 O8 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0426","0.0331","","","0.0847","0.0896","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086132","9.3629","0.0017","17.807","0.003","20.791","0.003","90","","90","","90","","3466.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N2 O5 Ru2 -","- C39 H36 N2 O5 Ru2 -","- C156 H144 N8 O20 Ru8 -","4","1","","Zhang, Xingyue; Lu, Zhiyao; Foellmer, Lena K.; Williams, Travis J.","Nitrogen-Based Ligands Accelerate Ammonia Borane Dehydrogenation with the Shvo Catalyst","Organometallics","2015","34","15","3732","","10.1021/acs.organomet.5b00409","","","0.71073","MoKα","","0.0473","0.033","","","0.0666","0.0711","","","","","","1.026","","","","has coordinates","154733","2020-10-21","18:00:00",""
"4086133","37.751","0.003","10.6602","0.0007","17.1777","0.0012","90","","112.006","0.001","90","","6409.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 N O4 Ru -","- C40 H33 N O4 Ru -","- C320 H264 N8 O32 Ru8 -","8","1","","Zhang, Xingyue; Lu, Zhiyao; Foellmer, Lena K.; Williams, Travis J.","Nitrogen-Based Ligands Accelerate Ammonia Borane Dehydrogenation with the Shvo Catalyst","Organometallics","2015","34","15","3732","","10.1021/acs.organomet.5b00409","","","0.71073","MoKα","","0.0301","0.0257","","","0.0663","0.0736","","","","","","1.098","","","","has coordinates,has disorder","154733","2020-10-21","18:00:00",""
"4086134","25.5829","0.0007","28.0608","0.0009","12.9824","0.0004","90","","90","","90","","9319.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C48 H37 Br Cl N4 Rh -","- C48 H36 Br Cl N4 Rh -","- C384 H288 Br8 Cl8 N32 Rh8 -","8","1","","Yang, Wu; Zuo, Huiping; Lai, Wai Yan; Feng, Shiyu; Pang, Yat Sing; Hung, Kai En; Yu, Chu Yi; Lau, Yin Fan; Tsoi, Ho Yin; Chan, Kin Shing","Facile Aerobic Alkylation of Rhodium Porphyrins with Alkyl Halides","Organometallics","2015","34","16","4051","","10.1021/acs.organomet.5b00488","","","0.71073","MoKα","","0.1568","0.1286","","","0.3286","0.3438","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086135","11.054","0.007","12.843","0.008","13.303","0.008","90","","90","","90","","1889","2","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N2 P Pd -","- C18 H26 Cl N2 P Pd -","- C72 H104 Cl4 N8 P4 Pd4 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","x-ray","0.71069","MoKα","","0.1091","0.064","","","0.0895","0.1084","","","","","","0.981","","","","has coordinates","154741","2020-10-21","18:00:00",""
"4086136","12.302","0.002","12.201","0.002","13.25","0.002","90","","100.02","0.02","90","","1958.4","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 Cl N2 P Pd -","- C19 H28 Cl N2 P Pd -","- C76 H112 Cl4 N8 P4 Pd4 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71069","MoKα","","0.0262","0.0219","","","0.0499","0.0522","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086137","30.989","0.002","12.597","0.01","11.852","0.009","90","","90","","90","","4627","5","120","2","120","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C38 H56 B Cl5 F4 N4 P2 Pd2 -","- C38 H56 B Cl5 F4 N4 P2 Pd2 -","- C152 H224 B4 Cl20 F16 N16 P8 Pd8 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","x-ray","0.71069","MoKα","","0.1417","0.0703","","","0.1102","0.1441","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086138","10.0547","0.0004","8.3459","0.0004","25.8456","0.0012","90","","92.588","0.002","90","","2166.63","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","wdb_3_11","wdb_3_11","","- C19 H26 F3 N2 O3 P Pd S -","- C19 H26 F3 N2 O3 P Pd S -","- C76 H104 F12 N8 O12 P4 Pd4 S4 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.0335","0.0265","","","0.053","0.0552","","","","","","1.044","","","","has coordinates","154741","2020-10-21","18:00:00",""
"4086139","19.5576","0.0006","19.4772","0.0006","14.2865","0.0005","90","","123.118","0.002","90","","4558","0.3","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","wdb_3_48","wdb_3_48_0ma","","- C20 H28 F3 N2 O3 P Pd S -","- C20 H28 F3 N2 O3 P Pd S -","- C160 H224 F24 N16 O24 P8 Pd8 S8 -","8","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","x-ray","0.71073","MoKα","","0.0251","0.0221","","","0.0532","0.0554","","","","","","1.028","","","","has coordinates","154741","2020-10-21","18:00:00",""
"4086140","23.611","0.0011","15.5658","0.0007","24.9876","0.0011","90","","103.31","0.003","90","","8936.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","wdb_3_4","wdb_3_4","","- C37 H53 F3 N4 O4 P2 Pd2 S -","- C37 H53 F3 N4 O4 P2 Pd2 S -","- C296 H424 F24 N32 O32 P16 Pd16 S8 -","8","2","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.1597","0.0615","","","0.1175","0.1396","","","","","","0.858","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086141","16.2762","0.0006","24.7065","0.0008","24.1256","0.0009","90","","105.583","0.002","90","","9345","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wdb_3_135a","wdb_3_135a","","- C38 H57 N4 O P2 Pd2 -","- C38 H57 N4 O P2 Pd2 -","- C304 H456 N32 O8 P16 Pd16 -","8","2","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.0708","0.0449","","","0.1018","0.1092","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086142","15.791","0.005","16.128","0.005","18.562","0.005","90","0.005","90","0.005","90","0.005","4727","2","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","wdb_3_143","wdb_9b","","- C88 H148 N8 O11 P4 Pd4 -","- C88 H148 N8 O11 P4 Pd4 -","- C176 H296 N16 O22 P8 Pd8 -","2","0.5","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.1448","0.0637","","","0.1081","0.1328","","","","","","1.011","","","","has coordinates,has disorder","154741","2020-10-21","18:00:00",""
"4086143","12.2394","0.0009","14.7557","0.001","20.5708","0.0013","90","","101.235","0.003","90","","3643.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wdb_2_189","wdb_2_189_0m","","- C36 H52 N4 O P2 Pd2 -","- C36 H52 N4 O P2 Pd2 -","- C144 H208 N16 O4 P8 Pd8 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","","0.71073","MoKα","","0.0361","0.0255","","","0.0576","0.0632","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086144","15.2168","0.0006","15.5813","0.0006","19.4687","0.0006","93.033","0.003","91.536","0.003","102.934","0.003","4489","0.3","130","0.1","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H117 Cl Ge O13 P2 Ru Si7 -","- C84 H117 Cl Ge O13 P2 Ru Si7 -","- C168 H234 Cl2 Ge2 O26 P4 Ru2 Si14 -","2","1","","Frąckowiak, Dawid; Żak, Patrycja; Spólnik, Grzegorz; Pyziak, Mikołaj; Marciniec, Bogdan","New Vinylgermanium Derivatives of Silsesquioxanes and Their Ruthenium Complexes—Synthesis, Structure, and Reactivity","Organometallics","2015","34","16","3950","","10.1021/acs.organomet.5b00142","","","1.54184","CuKα","","0.0919","0.0691","","","0.1902","0.2313","","","","","","0.81","","","","has coordinates,has disorder","154745","2020-10-21","18:00:00",""
"4086145","9.9875","0.0006","12.5461","0.0007","19.5939","0.0011","80.397","0.002","88.455","0.002","70.432","0.002","2279.9","0.2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C48 H80 Ge P2 Ru -","- C48 H80 Ge P2 Ru -","- C96 H160 Ge2 P4 Ru2 -","2","1","","Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane","A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane","Organometallics","2015","34","16","4158","","10.1021/acs.organomet.5b00570","","","0.71073","MoKα","","0.0253","0.0232","","","0.0583","0.0597","","","","","","1.035","","","","has coordinates,has disorder","154747","2020-10-21","18:00:00",""
"4086146","13.5815","0.0006","21.0328","0.001","24.2249","0.0012","69.112","0.002","79.918","0.002","78.548","0.002","6295.3","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H90 Ge2 O P2 Ru -","- C60 H90 Ge2 O P2 Ru -","- C240 H360 Ge8 O4 P8 Ru4 -","4","2","","Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane","A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane","Organometallics","2015","34","16","4158","","10.1021/acs.organomet.5b00570","","","0.71073","MoKα","","0.0534","0.034","","","0.0708","0.0756","","","","","","0.999","","","","has coordinates","154747","2020-10-21","18:00:00",""
"4086147","11.731","0.0002","12.259","0.0003","21.654","0.0003","90","","101.101","0.001","90","","3055.8","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 1 n 1","P -2yac","7","","","","- C64 H100 Ge2 O2.5 P2 Ru -","- C64 H100 Ge2 O2.5 P2 Ru -","- C128 H200 Ge4 O5 P4 Ru2 -","2","1","","Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane","A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane","Organometallics","2015","34","16","4158","","10.1021/acs.organomet.5b00570","","x-ray","0.71073","MoKα","","0.0337","0.0289","","","0.0644","0.0667","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086148","12.113","0.006","12.113","0.006","11.029","0.006","90","","90","","90","","1618.2","1.4","173","","173","","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C28 H48 Mo N12 -","- C28 H48 Mo N12 -","- C56 H96 Mo2 N24 -","2","0.25","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.0478","0.0396","","","0.065","0.0684","","","","","","1.101","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4086149","13.033","0.004","14.194","0.004","27","0.008","90","","101.856","0.004","90","","4888","3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H80 Mo N12 O2 -","- C44 H64 Mo N12 O2 -","- C176 H256 Mo4 N48 O8 -","4","1","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.6078","0.0713","","","0.8525","0.1815","","","","","","1.118","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4086150","13.179","0.004","20.631","0.006","19.184","0.006","90","","92.163","0.004","90","","5212","3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Mo N12 O -","- C48 H80 Mo N12 O -","- C192 H320 Mo4 N48 O4 -","4","1","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.151","0.0734","","","0.1373","0.1814","","","","","","1.037","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4086151","12.167","0.004","14.734","0.004","20.615","0.006","90","","90","","90","","3695.6","1.9","173","","173","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H60 Mo N12 -","- C33 H60 Mo N12 -","- C132 H240 Mo4 N48 -","4","0.5","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.0664","0.0513","","","0.1031","0.1109","","","","","","1.016","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4086152","15.3301","0.0004","17.3683","0.0006","20.0894","0.0005","70.038","0.003","72.704","0.002","70.153","0.003","4628.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H140 Ge2 N2 Si2 -","- C104 H140 Ge2 N2 Si2 -","- C208 H280 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","1.54184","CuKα","","0.1001","0.0894","","","0.2506","0.2599","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086153","42.8857","0.0014","18.8089","0.0006","22.8712","0.0008","90","","92.012","0.003","90","","18437.3","1.1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C99 H122 Ge2 N2 O Si2 -","- C99 H122 Ge2 N2 O Si2 -","- C792 H976 Ge16 N16 O8 Si16 -","8","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.1186","0.0744","","","0.2061","0.2444","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086154","10.7558","0.0004","13.0331","0.0004","13.8644","0.0006","103.001","0.003","100.467","0.003","98.528","0.003","1825.55","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H94 Ge2 N2 Si2 -","- C86 H94 Ge2 N2 Si2 -","- C86 H94 Ge2 N2 Si2 -","1","0.5","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.0422","0.0329","","","0.0843","0.0904","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086155","22.463","0.005","17.179","0.003","22.202","0.004","90","","99.62","0.03","90","","8447","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C99 H123 Ge2 N2 Si2 -","- C99 H123 Ge2 N2 Si2 -","- C396 H492 Ge8 N8 Si8 -","4","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.2362","0.0905","","","0.1967","0.2545","","","","","","1.004","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086156","13.236","0.003","17.267","0.004","21.064","0.004","69.59","0.03","86.91","0.03","76.58","0.03","4387","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H126 Ge2 N2 Si2 -","- C100 H126 Ge2 N2 Si2 -","- C200 H252 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.7108","Synchrotron","","0.0949","0.0716","","","0.1851","0.2015","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086157","12.147","0.002","18.15","0.004","21.586","0.004","66.86","0.03","74.62","0.03","74.2","0.03","4142.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H115 Ge2 N2 Si2 -","- C94 H115 Ge2 N2 Si2 -","- C188 H230 Ge4 N4 Si4 -","2","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.7108","","","0.0472","0.0416","","","0.1048","0.108","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086158","13.0683","0.0007","16.4136","0.0006","20.0153","0.0008","77.588","0.002","78.329","0.002","83.338","0.002","4094.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H102 Ge2 N2 Si4 -","- C94 H102 Ge2 N2 Si4 -","- C188 H204 Ge4 N4 Si8 -","2","1","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.1274","0.0589","","","0.1138","0.1377","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086159","32.6327","0.0012","13.2336","0.0004","20.1143","0.0008","90","","113.787","0.004","90","","7948.4","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H102 Ge2 N4 O2 Si2 -","- C92 H102 Ge2 N4 O2 Si2 -","- C368 H408 Ge8 N16 O8 Si8 -","4","0.5","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.0659","0.0459","","","0.1209","0.1319","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086160","12.865","0.003","13.81","0.003","13.816","0.003","103.86","0.03","108.34","0.03","103.4","0.03","2132.8","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H112 Ge2 N6 O2 Si2 -","- C94 H112 Ge2 N6 O2 Si2 -","- C94 H112 Ge2 N6 O2 Si2 -","1","0.5","","Hadlington, Terrance J.; Li, Jiaye; Hermann, Markus; Davey, Amelia; Frenking, Gernot; Jones, Cameron","Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C‒H Activation, and Reversible Cycloaddition of Unsaturated Substrates","Organometallics","2015","34","13","3175","","10.1021/acs.organomet.5b00206","","","0.71073","MoKα","","0.0494","0.04","","","0.0926","0.0974","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086161","10.181","0.002","8.1358","0.0018","18.596","0.004","90","","99.748","0.005","90","","1518.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O W -","- C15 H24 N O W -","- C60 H96 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","13","3428","","10.1021/acs.organomet.5b00426","","x-ray","0.71073","MoKα","","0.0321","0.0248","","","0.0507","0.0531","","","","","","1.058","","","","has coordinates","152774","2020-10-21","18:00:00",""
"4086162","7.9811","0.0009","9.0684","0.001","15.7146","0.0018","80.986","0.003","78.527","0.003","74.162","0.003","1066","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N2 O2 W -","- C20 H36 N2 O2 W -","- C40 H72 N4 O4 W2 -","2","1","","Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","13","3428","","10.1021/acs.organomet.5b00426","","x-ray","0.71073","MoKα","","0.0337","0.0316","","","0.078","0.0785","","","","","","1.429","","","","has coordinates","152774","2020-10-21","18:00:00",""
"4086163","30.058","0.003","8.0516","0.0009","35.124","0.003","90","","113.452","0.002","90","","7798.3","1.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H34 N2 O2 W -","- C19 H34 N2 O2 W -","- C304 H544 N32 O32 W16 -","16","2","","Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","13","3428","","10.1021/acs.organomet.5b00426","","","0.71073","MoKα","","0.0421","0.0353","","","0.0655","0.0671","","","","","","1.218","","","","has coordinates","152774","2020-10-21","18:00:00",""
"4086164","9.5405","0.0003","10.905","0.0003","13.2198","0.0004","90","","90","","90","","1375.38","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13.01 H20.02 Cl N O W -","- C13.012 H20.02 Cl1.004 N1.004 O1.004 W -","- C52.048 H80.08 Cl4.016 N4.016 O4.016 W4 -","4","1","","Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","13","3428","","10.1021/acs.organomet.5b00426","","x-ray","0.71073","MoKα","","0.0211","0.0199","","","0.0411","0.0415","","","","","","1.122","","","","has coordinates,has disorder","152774","2020-10-21","18:00:00",""
"4086165","9.8603","0.0019","10.918","0.003","16.59","0.004","80.912","0.008","84.345","0.009","79.531","0.008","1729.7","0.7","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 O11 P2 S2 W2 -","- C78 H60 O11 P2 S2 W2 -","- C78 H60 O11 P2 S2 W2 -","1","0.5","","Streubel, Rainer; Faßbender, Jan; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Formation of Transient and Stable 1,3-Dipole Complexes with P,S,C and S,P,C Ligand Skeletons","Organometallics","2015","34","13","3103","","10.1021/acs.organomet.5b00386","","","0.71073","MoKα","","0.145","0.0918","","","0.2198","0.2479","","","","","","1.064","","","","has coordinates,has disorder","152775","2020-10-21","18:00:00",""
"4086166","11.4245","0.0004","10.8185","0.0004","22.6384","0.0006","90","","112.729","0.002","90","","2580.73","0.15","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N2 O5 P S Si2 W -","- C17 H31 N2 O5 P S Si2 W -","- C68 H124 N8 O20 P4 S4 Si8 W4 -","4","1","","Streubel, Rainer; Faßbender, Jan; Schnakenburg, Gregor; Espinosa Ferao, Arturo","Formation of Transient and Stable 1,3-Dipole Complexes with P,S,C and S,P,C Ligand Skeletons","Organometallics","2015","34","13","3103","","10.1021/acs.organomet.5b00386","","","0.71073","MoKα","","0.0464","0.0256","","","0.0425","0.0477","","","","","","0.758","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086167","9.835","0.003","24.651","0.008","10.215","0.003","90","","109.539","0.005","90","","2333.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 Mg N4 -","- C23 H34 Mg N4 -","- C92 H136 Mg4 N16 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.","New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides","Organometallics","2015","34","13","3196","","10.1021/acs.organomet.5b00248","","","0.71073","MoKα","","0.1108","0.0534","","","0.122","0.1496","","","","","","0.961","","","","has coordinates","152776","2020-10-21","18:00:00",""
"4086168","19.103","0.0014","24.4642","0.0017","25.053","0.0019","90","","90","","90","","11708.3","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28.5 H44 Mg N4 Si -","- C28.5 H44 Mg N4 Si -","- C456 H704 Mg16 N64 Si16 -","16","2","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.","New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides","Organometallics","2015","34","13","3196","","10.1021/acs.organomet.5b00248","","","0.71073","MoKα","","0.075","0.0413","","","0.1097","0.1205","","","","","","0.883","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086169","9.713","0.001","9.954","0.0009","12.261","0.0017","86.772","0.007","82.268","0.007","67.212","0.006","1083","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H32 N4 Zn -","- C22 H32 N4 Zn -","- C44 H64 N8 Zn2 -","2","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.","New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides","Organometallics","2015","34","13","3196","","10.1021/acs.organomet.5b00248","","","0.71073","MoKα","","0.0741","0.0458","","","0.0921","0.1055","","","","","","1.002","","","","has coordinates","152776","2020-10-21","18:00:00",""
"4086170","10.954","0.0004","10.954","0.0004","41.6585","0.0019","90","","90","","90","","4998.6","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","[Fe(CNtBu)2(NPPN)](BF4)2 ú 0.70 H2O","","","- C50 H65.39 B2 F8 Fe N4 O0.7 P2 -","- C50 H65.396 B2 F8 Fe N4 O0.698 P2 -","- C200 H261.584 B8 F32 Fe4 N16 O2.792 P8 -","4","0.5","","Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio","Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines","Organometallics","2015","34","13","3374","","10.1021/acs.organomet.5b00357","","","0.71073","MoKα","","0.0468","0.0393","","","0.0911","0.0948","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086171","11.2303","0.0005","11.2303","0.0005","44.95","0.003","90","","90","","90","","5669.1","0.5","101","2","101","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","[Fe(CNSi Me3)2(NPPN)](SbF6)2","","","- C48 H64 F12 Fe N4 P2 Sb2 Si2 -","- C48 H64 F12 Fe N4 P2 Sb2 Si2 -","- C192 H256 F48 Fe4 N16 P8 Sb8 Si8 -","4","0.5","","Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio","Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines","Organometallics","2015","34","13","3374","","10.1021/acs.organomet.5b00357","","","0.71073","MoKα","","0.1143","0.0744","","","0.1609","0.1738","","","","","","1.103","","","","has coordinates,has disorder","152778","2020-10-21","18:00:00",""
"4086172","9.863","0.002","14.948","0.003","17.86","0.004","90","","92.716","0.008","90","","2630.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N2 P Pt -","- C29 H35 N2 P Pt -","- C116 H140 N8 P4 Pt4 -","4","1","","Hering, Florian; Radius, Udo","From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene","Organometallics","2015","34","13","3236","","10.1021/acs.organomet.5b00277","","","0.71073","MoKα","","0.0485","0.0316","","","0.0843","0.103","","","","","","1.051","","","","has coordinates","152779","2020-10-21","18:00:00",""
"4086173","10.048","0.002","15.062","0.003","18.621","0.006","90","","107.87","0.03","90","","2682.2","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N6 Pt -","- C24 H42 N6 Pt -","- C96 H168 N24 Pt4 -","4","1","","Hering, Florian; Radius, Udo","From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene","Organometallics","2015","34","13","3236","","10.1021/acs.organomet.5b00277","","","0.71073","MoKα","","0.0239","0.02","","","0.0473","0.0484","","","","","","1.05","","","","has coordinates","152779","2020-10-21","18:00:00",""
"4086174","9.552","0.002","12.739","0.003","14.817","0.003","81.24","0.003","83.001","0.003","80.936","0.003","1750.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Cl4 N6 Pt -","- C28 H50 Cl4 N6 Pt -","- C56 H100 Cl8 N12 Pt2 -","2","1","","Hering, Florian; Radius, Udo","From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene","Organometallics","2015","34","13","3236","","10.1021/acs.organomet.5b00277","","","0.71073","MoKα","","0.0587","0.0514","","","0.1124","0.1161","","","","","","1.053","","","","has coordinates","152779","2020-10-21","18:00:00",""
"4086175","8.6775","0.0008","13.043","0.0012","18.9916","0.0018","90","","90","","90","","2149.5","0.3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl2 N4 Pt -","- C18 H32 Cl2 N4 Pt -","- C72 H128 Cl8 N16 Pt4 -","4","1","","Hering, Florian; Radius, Udo","From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene","Organometallics","2015","34","13","3236","","10.1021/acs.organomet.5b00277","","","0.71073","MoKα","","0.0137","0.0134","","","0.0325","0.0326","","","","","","1.095","","","","has coordinates","152779","2020-10-21","18:00:00",""
"4086176","14.3174","0.0013","16.2657","0.0014","8.1709","0.0007","90","","91.4942","0.0018","90","","1902.2","0.3","100","0.5","100","0.5","","","","","","","","6","C 1 c 1","C -2yc","9","jonaw65","Cp*RhCl(4-MeOC6H3-Py)","","- C22 H25 Cl N O Rh -","- C22 H25 Cl N O Rh -","- C88 H100 Cl4 N4 O4 Rh4 -","4","1","","Walsh, Aaron P.; Jones, William D.","Mechanistic Insights of a Concerted Metalation‒Deprotonation Reaction with [Cp*RhCl2]2","Organometallics","2015","34","13","3400","","10.1021/acs.organomet.5b00369","","","0.71073","MoKα","","0.0237","0.0226","","","0.0499","0.0504","","","","","","1.023","","","","has coordinates","152780","2020-10-21","18:00:00",""
"4086177","12.42","0.008","13.735","0.008","15.539","0.01","90","","99.743","0.006","90","","2613","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Cl P2 Pt Si -","- C24 H37 Cl P2 Pt Si -","- C96 H148 Cl4 P8 Pt4 Si4 -","4","1","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.0367","0.0309","","","0.0799","0.0838","","","","","","1.038","","","","has coordinates","154740","2020-10-21","18:00:00",""
"4086178","16.208","0.005","20.077","0.006","16.004","0.005","90","","116.319","0.003","90","","4668","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(PSi(Cl)P)Pt][EtCB11Cl11]","","","- C27 H41 B11 Cl12 P2 Pt Si -","- C27 H41 B11 Cl12 P2 Pt Si -","- C108 H164 B44 Cl48 P8 Pt4 Si4 -","4","1","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.0327","0.0273","","","0.0583","0.0601","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086179","8.186","0.0004","17.9079","0.0009","21.7954","0.0011","90","","90","","90","","3195.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 P2 Pt Si -","- C33 H48 P2 Pt Si -","- C132 H192 P8 Pt4 Si4 -","4","1","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.0204","0.0188","","","0.0387","0.0392","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086180","8.8067","0.001","16.4732","0.0019","18.252","0.002","93.859","0.001","93.163","0.001","95.343","0.001","2625.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H48 B11 Cl11 P2 Pt Si -","- C34 H48 B11 Cl11 P2 Pt Si -","- C68 H96 B22 Cl22 P4 Pt2 Si2 -","2","1","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.0455","0.0372","","","0.0889","0.0935","","","","","","1.045","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4086181","29.543","0.006","16.58","0.003","25.06","0.004","90","","111.822","0.004","90","","11395","4","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C80 H94 B22 Cl22 F10 O P4 Pt2 Si2 -","- C80 H94 B22 Cl22 F10 O P4 Pt2 Si2 -","- C320 H376 B88 Cl88 F40 O4 P16 Pt8 Si8 -","4","0.5","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.1039","0.054","","","0.1107","0.135","","","","","","1.04","","","","has coordinates,has disorder","154740","2020-10-21","18:00:00",""
"4086182","24.936","0.003","17.7815","0.0018","17.424","0.003","90","","132.751","0.001","90","","5673.1","1.3","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Zr]NMe2BH3","","","- C17 H48 B N5 Si3 Zr -","- C17 H48 B N5 Si3 Zr -","- C136 H384 B8 N40 Si24 Zr8 -","8","1","","Erickson, Karla A.; Stelmach, John P. W.; Mucha, Neil T.; Waterman, Rory","Zirconium-Catalyzed Amine Borane Dehydrocoupling and Transfer Hydrogenation","Organometallics","2015","34","19","4693","","10.1021/acs.organomet.5b00415","","","0.71073","MoKα","","0.0226","0.0205","","","0.0549","0.0566","","","","","","1.053","","","","has coordinates","170113","2020-10-21","18:00:00",""
"4086183","14.3275","0.0005","16.2723","0.0005","17.7781","0.0006","90","","98.722","0.002","90","","4096.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(n6-C6H3Me3)Pt[(Me(C2F5)2P]CH3+B(C6F5)4-","","","- C39 H18 B F30 P Pt -","- C39 H18 B F30 P Pt -","- C156 H72 B4 F120 P4 Pt4 -","4","1","","Thapaliya, Bhusan; Debnath, Suman; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis and Structural Characterization of an Unusual Platinum π-Arene Complex: (η6-C6H3Me3)Pt[(C2F5)2PMe]Me+","Organometallics","2015","34","16","4018","","10.1021/acs.organomet.5b00410","","","0.71073","MoKα","","0.056","0.0341","","","0.0769","0.0823","","","","","","0.921","","","","has coordinates","154738","2020-10-21","18:00:00",""
"4086184","10.5634","0.0004","11.2411","0.0005","15.7308","0.0006","90","","103.897","0.001","90","","1813.27","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 Cl2 Cr N4 P2 -","- C30 H58 Cl2 Cr N4 P2 -","- C60 H116 Cl4 Cr2 N8 P4 -","2","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.0567","0.0436","","","0.1209","0.1305","","","","","","1.025","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086185","12.8371","0.0002","19.408","0.0005","20.7508","0.0004","92.389","0.001","107.043","0.001","103.619","0.001","4769.68","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H132 Cl4 Cr2 N8 O P4 -","- C84 H132 Cl4 Cr2 N8 O P4 -","- C168 H264 Cl8 Cr4 N16 O2 P8 -","2","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.0715","0.0549","","","0.1428","0.1529","","","","","","1.05","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086186","23.054","0.002","12.9291","0.0013","16.8008","0.0017","90","","99.958","0.002","90","","4932.3","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H74 Cl2 Cr N4 P2 -","- C46 H74 Cl2 Cr N4 P2 -","- C184 H296 Cl8 Cr4 N16 P8 -","4","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.1203","0.0798","","","0.2101","0.251","","","","","","1.054","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086187","13.035","0.004","14.785","0.005","14.088","0.004","90","","118.28","0.02","90","","2391","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Cl2 Cr N4 P4 -","- C38 H76 Cl2 Cr N4 P4 -","- C76 H152 Cl4 Cr2 N8 P8 -","2","0.5","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.158","0.0824","","","0.2044","0.2534","","","","","","1.042","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086188","10.0437","0.0003","13.3177","0.0004","16.8347","0.0006","80.345","0.001","78.259","0.001","72.614","0.001","2090.14","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cr N2 P -","- C44 H58 Cr N2 P -","- C88 H116 Cr2 N4 P2 -","2","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.0496","0.0363","","","0.093","0.0971","","","","","","1.067","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086189","21.8308","0.0009","11.1705","0.0002","16.2941","0.0007","90","","101.229","0.001","90","","3897.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 Cr N2 P2 -","- C40 H59 Cr N2 P2 -","- C160 H236 Cr4 N8 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","N-Phosphanyl- andN,N′-Diphosphanyl-Substituted N-Heterocyclic Carbene Chromium Complexes: Synthesis, Structures, and Catalytic Ethylene Oligomerization","Organometallics","2015","34","16","4109","","10.1021/acs.organomet.5b00547","","","0.71073","MoKα","","0.1528","0.1072","","","0.187","0.2089","","","","","","1.274","","","","has coordinates","154743","2020-10-21","18:00:00",""
"4086190","12.9724","0.0011","15.0893","0.0014","18.091","0.0017","71.819","0.002","84.345","0.002","86.986","0.002","3347.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bistriphenylphosphine Benzyl Palladium(II) BArF","","","- C75 H49 B F24 P2 Pd -","- C75 H49 B F24 P2 Pd -","- C150 H98 B2 F48 P4 Pd2 -","2","1","","Chen, Danmin; Gau, Michael R.; Dobereiner, Graham E.","Palladium and Platinum Acyl Complexes and Their Lewis Acid Adducts. Experimental and Computational Study of Thermodynamics and Bonding","Organometallics","2015","34","16","4069","","10.1021/acs.organomet.5b00507","","","0.71073","MoKα","","0.0759","0.0478","","","0.1137","0.1288","","","","","","1.022","","","","has coordinates","154744","2020-10-21","18:00:00",""
"4086191","11.8059","0.0008","12.4845","0.0008","19.3963","0.0014","79.054","0.001","82.128","0.001","62.13","0.001","2477.4","0.3","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 N2 O P Sc Si2 -","- C48 H74 N2 O P Sc Si2 -","- C96 H148 N4 O2 P2 Sc2 Si4 -","2","1","","Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei","Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity","Organometallics","2015","34","16","4063","","10.1021/acs.organomet.5b00502","","","0.71073","MoKα","","0.0925","0.0667","","","0.1506","0.1687","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086192","11.9134","0.0005","12.5217","0.0006","19.478","0.0009","78.138","0.001","81.872","0.001","62.366","0.001","2515.7","0.2","195","2","195","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 N2 O P Si2 Y -","- C48 H74 N2 O P Si2 Y -","- C96 H148 N4 O2 P2 Si4 Y2 -","2","1","","Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei","Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity","Organometallics","2015","34","16","4063","","10.1021/acs.organomet.5b00502","","","0.71073","MoKα","","0.064","0.045","","","0.1016","0.1103","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086193","11.9023","0.0006","12.5177","0.0007","19.4614","0.001","78.325","0.001","81.887","0.001","62.323","0.001","2510.9","0.2","197","2","197","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 Er N2 O P Si2 -","- C48 H74 Er N2 O P Si2 -","- C96 H148 Er2 N4 O2 P2 Si4 -","2","1","","Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei","Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity","Organometallics","2015","34","16","4063","","10.1021/acs.organomet.5b00502","","","0.71073","MoKα","","0.0457","0.0381","","","0.0799","0.084","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086194","38.374","0.003","12.664","0.0009","21.6208","0.0015","90","","90","","90","","10507","1.3","187","2","187","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C59 H70 La N2 O P -","- C59 H70 La N2 O P -","- C472 H560 La8 N16 O8 P8 -","8","1","","Liu, Bo; Sun, Guangping; Li, Shihui; Liu, Dongtao; Cui, Dongmei","Isoprene Polymerization with Iminophosphonamide Rare-Earth-Metal Alkyl Complexes: Influence of Metal Size on the Regio- and Stereoselectivity","Organometallics","2015","34","16","4063","","10.1021/acs.organomet.5b00502","","","0.71073","MoKα","","0.2295","0.0958","","","0.1341","0.1758","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086195","5.897","0.002","12.328","0.005","18.325","0.007","90","","91.387","0.006","90","","1331.8","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ge -","- C16 H16 Ge -","- C64 H64 Ge4 -","4","1","","Velian, Alexandra; Transue, Wesley J.; Cummins, Christopher C.","Synthesis, Characterization, and Thermolysis of Dibenzo-7-dimethylgermanorbornadiene","Organometallics","2015","34","19","4644","","10.1021/acs.organomet.5b00529","","","0.71073","MoKα","","0.0283","0.022","","","0.0515","0.0543","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086196","10.2844","0.0008","14.0396","0.001","12.9636","0.001","90","","108.78","0.001","90","","1772.1","0.2","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H70 Ir2 P4 -","- C28 H70 Ir2 P4 -","- C56 H140 Ir4 P8 -","2","0.5","","Ghaffari, Behnaz; Vanchura, Britt A.; Chotana, Ghayoor A.; Staples, Richard J.; Holmes, Daniel; Maleczka, Robert E.; Smith, Milton R.","Reversible Borylene Formation from Ring Opening of Pinacolborane and Other Intermediates Generated from Five-Coordinate Tris-Boryl Complexes: Implications for Catalytic C‒H Borylation","Organometallics","2015","34","19","4732","","10.1021/acs.organomet.5b00525","","","0.71073","MoKα","","0.0414","0.0315","","","0.0762","0.0815","","","","","","1.054","","","","has coordinates","170111","2020-10-21","18:00:00",""
"4086197","25.159","0.002","25.159","0.002","11.9874","0.0016","90","","90","","90","","7587.7","1.3","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C90 H86 P4 Ru2 -","- C90 H86 P4 Ru2 -","- C360 H344 P16 Ru8 -","4","0.5","","Zhang, Jing; Zhang, Ming-Xing; Sun, Chao-Fang; Xu, Meng; Hartl, František; Yin, Jun; Yu, Guang-Ao; Rao, Li; Liu, Sheng Hua","Diruthenium Complexes with Bridging Diethynyl Polyaromatic Ligands: Synthesis, Spectroelectrochemistry, and Theoretical Calculations","Organometallics","2015","34","16","3967","","10.1021/acs.organomet.5b00276","","","0.71073","MoKα","","0.0984","0.0848","","","0.1843","0.1915","","","","","","1.244","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086198","25.38","0.003","25.38","0.003","11.8756","0.0013","90","","90","","90","","7649.6","1.5","297","2","297","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C93 H90 O P4 Ru2 -","- C93 H90 O P4 Ru2 -","- C372 H360 O4 P16 Ru8 -","4","0.5","","Zhang, Jing; Zhang, Ming-Xing; Sun, Chao-Fang; Xu, Meng; Hartl, František; Yin, Jun; Yu, Guang-Ao; Rao, Li; Liu, Sheng Hua","Diruthenium Complexes with Bridging Diethynyl Polyaromatic Ligands: Synthesis, Spectroelectrochemistry, and Theoretical Calculations","Organometallics","2015","34","16","3967","","10.1021/acs.organomet.5b00276","","","0.71073","MoKα","","0.0744","0.0503","","","0.1264","0.1474","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086199","9.4325","0.0019","9.849","0.002","15.54","0.003","90","","90","","90","","1443.7","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl Fe2 O7 P S -","- C8 H4 Cl Fe2 O7 P S -","- C32 H16 Cl4 Fe8 O28 P4 S4 -","4","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.0385","0.0289","","","0.046","0.0487","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086200","14.986","0.004","7.782","0.002","16.861","0.005","90","","114.75","0.004","90","","1785.7","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Fe2 O8 P S -","- C14 H9 Fe2 O8 P S -","- C56 H36 Fe8 O32 P4 S4 -","4","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.0342","0.0242","","","0.0407","0.0421","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086201","14.118","0.003","8.3351","0.0017","14.943","0.003","90","","95.71","0.03","90","","1749.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Fe2 O7 P S -","- C14 H9 Fe2 O7 P S -","- C56 H36 Fe8 O28 P4 S4 -","4","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.048","0.0331","","","0.0653","0.0712","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086202","11.56","0.005","11.635","0.005","12.546","0.006","95.744","0.006","117.121","0.008","92.4","0.006","1487","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Fe2 O6 P2 S -","- C31 H24 Fe2 O6 P2 S -","- C62 H48 Fe4 O12 P4 S2 -","2","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.0491","0.0361","","","0.0746","0.0785","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086203","17.139","0.005","13.756","0.003","14.911","0.004","90","","111.248","0.003","90","","3276.5","1.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Cl Fe2 O7 P S -","- C12 H4 Cl Fe2 O7 P S -","- C96 H32 Cl8 Fe16 O56 P8 S8 -","8","2","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71075","MoKα","","0.0447","0.0327","","","0.0565","0.0605","","","","","","1.011","","","","has coordinates","154748","2020-10-21","18:00:00",""
"4086204","7.995","0.0013","8.032","0.0013","13.723","0.002","72.272","0.01","84.076","0.016","83.405","0.017","831.7","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Fe2 O8 P S -","- C13 H7 Fe2 O8 P S -","- C26 H14 Fe4 O16 P2 S2 -","2","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71075","MoKα","","0.0511","0.0324","","","0.0586","0.0627","","","","","","0.919","","","","has coordinates","154748","2020-10-21","18:00:00",""
"4086205","24.457","0.003","7.6832","0.0007","23.88","0.003","90","","119.266","0.003","90","","3914.5","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Fe2 O7 P S -","- C18 H9 Fe2 O7 P S -","- C144 H72 Fe16 O56 P8 S8 -","8","2","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71075","MoKα","","0.0337","0.0305","","","0.0605","0.0621","","","","","","0.997","","","","has coordinates","154748","2020-10-21","18:00:00",""
"4086206","9.0564","0.0018","20.059","0.004","12.035","0.002","90","","109.28","0.03","90","","2063.7","0.8","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br Fe2 O8 P S -","- C16 H12 Br Fe2 O8 P S -","- C64 H48 Br4 Fe8 O32 P4 S4 -","4","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.0407","0.0292","","","0.0571","0.0609","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086207","14.2038","0.0001","16.5766","0.0002","12.4661","0.0001","90","","90","","90","","2935.15","0.05","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C27 H31 Cl F3 N5 O5 Ru S -","- C27 H31 Cl F3 N5 O5 Ru S -","- C108 H124 Cl4 F12 N20 O20 Ru4 S4 -","4","1","","Donnelly, Kate F.; Segarra, Candela; Shao, Li-Xiong; Suen, Rachelle; Müller-Bunz, Helge; Albrecht, Martin","Adaptive N-Mesoionic Ligands Anchored to a Triazolylidene for Ruthenium-Mediated (De)Hydrogenation Catalysis","Organometallics","2015","34","16","4076","","10.1021/acs.organomet.5b00533","","","0.71073","MoKα","","0.0186","0.0176","","","0.0428","0.0435","","","","","","1.046","","","","has coordinates","154742","2020-10-21","18:00:00",""
"4086208","7.763","0.005","20.01","0.005","14.87","0.005","90","","101.382","0.005","90","","2264.4","1.7","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 B N2 P2 -","- C20 H37 B N2 P2 -","- C80 H148 B4 N8 P8 -","4","1","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71069","MoKα","","0.1219","0.0902","","","0.1463","0.1616","","","","","","1.15","","","","has coordinates","154750","2020-10-21","18:00:00",""
"4086209","12.274","0.002","17.139","0.003","23.522","0.004","90","","90","","90","","4948.2","1.5","93.15","","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 B Cl Ir N2 P2 -","- C20 H37 B Cl Ir N2 P2 -","- C160 H296 B8 Cl8 Ir8 N16 P16 -","8","1","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71075","MoKα","","0.0409","0.0352","","","0.0702","0.0729","","","","","","1.071","","","","has coordinates","154750","2020-10-21","18:00:00",""
"4086210","10.8756","0.0015","27.233","0.004","19.363","0.003","90","","92.221","0.002","90","","5730.5","1.5","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 B Ir N2 P2 -","- C25 H47 B Ir N2 P2 -","- C200 H376 B8 Ir8 N16 P16 -","8","2","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71075","MoKα","","0.0598","0.0464","","","0.0917","0.0998","","","","","","1.093","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086211","13.432","0.005","11.376","0.004","16.95","0.007","90","","108.481","0.005","90","","2456.4","1.6","93.15","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H43 B3 N2 P2 -","- C20 H43 B3 N2 P2 -","- C80 H172 B12 N8 P8 -","4","1","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71075","MoKα","","0.0934","0.075","","","0.1366","0.1463","","","","","","1.202","","","","has coordinates","154750","2020-10-21","18:00:00",""
"4086217","10.797","0.003","19.139","0.005","22.244","0.005","90","","90","","90","","4597","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ge N2 O S Si -","- C18 H32 Ge N2 O S Si -","- C144 H256 Ge8 N16 O8 S8 Si8 -","8","1","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0678","0.0519","","","0.1134","0.1201","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086218","11.603","0.003","12.094","0.004","12.526","0.004","112.293","0.006","102.656","0.007","101.348","0.007","1508.7","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Ge2 N4 O4 Si2 -","- C66 H76 Ge2 N4 O4 Si2 -","- C66 H76 Ge2 N4 O4 Si2 -","1","0.5","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0966","0.0584","","","0.1237","0.1355","","","","","","0.986","","","","has coordinates","154498","2020-10-21","18:00:00",""
"4086219","10.639","0.008","10.949","0.008","11.394","0.009","77.977","0.008","64.611","0.012","60.93","","1048","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Ge2 N4 O4 Si2 -","- C36 H64 Ge2 N4 O4 Si2 -","- C36 H64 Ge2 N4 O4 Si2 -","1","0.5","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0704","0.0538","","","0.1294","0.1403","","","","","","1.044","","","","has coordinates","154498","2020-10-21","18:00:00",""
"4086220","13.2574","0.0018","14.068","0.002","19.434","0.003","90.059","0.002","90.08","0.002","99.031","0.002","3579.6","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 Fe Ge N2 O5 Si -","- C37 H38 Fe Ge N2 O5 Si -","- C148 H152 Fe4 Ge4 N8 O20 Si4 -","4","2","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0385","0.0325","","","0.0827","0.0854","","","","","","1.026","","","","has coordinates","154498","2020-10-21","18:00:00",""
"4086221","17.161","0.003","11.2322","0.0017","17.682","0.003","90","","108.607","0.003","90","","3230.2","0.9","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Ge N2 O S Si -","- C33 H38 Ge N2 O S Si -","- C132 H152 Ge4 N8 O4 S4 Si4 -","4","1","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0505","0.0408","","","0.1152","0.1209","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086222","17.356","0.004","11.233","0.002","17.696","0.004","90","","108.17","0.03","90","","3278","1.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Ge N2 O Se Si -","- C33 H38 Ge N2 O Se Si -","- C132 H152 Ge4 N8 O4 Se4 Si4 -","4","1","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.051","0.0355","","","0.0856","0.0918","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086223","20.3278","0.001","9.5548","0.0005","17.8848","0.0009","90","","113.673","0.002","90","","3181.4","0.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 N4 S2 Si4 Zn2 -","- C16 H48 N4 S2 Si4 Zn2 -","- C64 H192 N16 S8 Si16 Zn8 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0309","0.0224","","","0.0565","0.0625","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086224","19.1987","0.0009","12.6735","0.0007","20.0406","0.0012","90","","90","","90","","4876.2","0.5","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H72 N8 S4 Si8 Zn2 -","- C24 H72 N8 S4 Si8 Zn2 -","- C96 H288 N32 S16 Si32 Zn8 -","4","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0739","0.0371","","","0.0752","0.088","","","","","","1.037","","","","has coordinates,has disorder","154499","2020-10-21","18:00:00",""
"4086225","11.3854","0.0004","14.7262","0.0005","15.4913","0.0006","90","","104.841","0.002","90","","2510.68","0.16","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 N2 S Si2 Ti -","- C19 H42 N2 S Si2 Ti -","- C76 H168 N8 S4 Si8 Ti4 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0552","0.0323","","","0.0761","0.0873","","","","","","1.042","","","","has coordinates","154499","2020-10-21","18:00:00",""
"4086226","10.9025","0.0005","15.0072","0.0006","15.5883","0.0007","90","","94.962","0.003","90","","2540.94","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 N2 S Si2 Zr -","- C19 H42 N2 S Si2 Zr -","- C76 H168 N8 S4 Si8 Zr4 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0718","0.0366","","","0.0844","0.1027","","","","","","1.054","","","","has coordinates","154499","2020-10-21","18:00:00",""
"4086227","10.9158","0.0006","15.0306","0.0008","15.5244","0.0008","90","","95.281","0.003","90","","2536.3","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 Hf N2 S Si2 -","- C19 H42 Hf N2 S Si2 -","- C76 H168 Hf4 N8 S4 Si8 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0336","0.021","","","0.0412","0.0458","","","","","","1.072","","","","has coordinates","154499","2020-10-21","18:00:00",""
"4086228","9.9253","0.0005","10.466","0.0005","10.483","0.0005","62.694","0.002","73.265","0.002","67.081","0.002","883.24","0.08","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H58 Li2 N4 O2 S2 Si4 -","- C22 H58 Li2 N4 O2 S2 Si4 -","- C22 H58 Li2 N4 O2 S2 Si4 -","1","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0284","0.0238","","","0.0645","0.0676","","","","","","1.076","","","","has coordinates","154499","2020-10-21","18:00:00",""
"4086229","14.765","0.003","15.865","0.003","23.336","0.004","81.189","0.003","77.245","0.002","69.702","0.002","4982.9","1.6","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H136 B12 Cl2 La4 Li2 O8 -","- C92 H136 B12 Cl2 La4 Li2 O8 -","- C184 H272 B24 Cl4 La8 Li4 O16 -","2","1","","Wang, Chunhong; Leng, Xuebing; Chen, Yaofeng","Tris(boratabenzene) Lanthanum Complexes: Synthesis, Structure, and Reactivity","Organometallics","2015","34","13","3216","","10.1021/acs.organomet.5b00262","","","0.71073","MoKα","","0.1185","0.078","","","0.2077","0.2681","","","","","","1.053","","","","has coordinates","154500","2020-10-21","18:00:00",""
"4086230","31.77","0.003","8.6243","0.0007","16.5042","0.0013","90","","93.061","0.001","90","","4515.6","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 B3 La N2 -","- C22 H32 B3 La N2 -","- C176 H256 B24 La8 N16 -","8","1","","Wang, Chunhong; Leng, Xuebing; Chen, Yaofeng","Tris(boratabenzene) Lanthanum Complexes: Synthesis, Structure, and Reactivity","Organometallics","2015","34","13","3216","","10.1021/acs.organomet.5b00262","","","0.71073","MoKα","","0.0196","0.0165","","","0.0529","0.0553","","","","","","1.098","","","","has coordinates,has disorder","154500","2020-10-21","18:00:00",""
"4086231","24.026","0.003","8.9614","0.001","15.8076","0.0018","90","","90","","90","","3403.5","0.7","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H40 B3 La N2 -","- C38 H40 B3 La N2 -","- C152 H160 B12 La4 N8 -","4","1","","Wang, Chunhong; Leng, Xuebing; Chen, Yaofeng","Tris(boratabenzene) Lanthanum Complexes: Synthesis, Structure, and Reactivity","Organometallics","2015","34","13","3216","","10.1021/acs.organomet.5b00262","","","0.71073","MoKα","","0.0612","0.0422","","","0.0764","0.0804","","","","","","1.105","","","","has coordinates","154500","2020-10-21","18:00:00",""
"4086232","15.2268","0.0008","16.2771","0.0009","16.3982","0.0009","99.3597","0.0006","109.988","0.0006","113.966","0.0006","3268","0.3","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H90 Cl Dy2 Na O6 -","- C78 H90 Cl Dy2 Na O6 -","- C156 H180 Cl2 Dy4 Na2 O12 -","2","1","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0271","0.0237","","","0.0575","0.0594","","","","","","1.058","","","","has coordinates,has disorder","154501","2020-10-21","18:00:00",""
"4086233","11.7555","0.001","27.604","0.002","30.637","0.003","116.143","0.0011","91.3921","0.0012","94.2639","0.0012","8881.8","1.3","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.33 H93.67 K N2 O7.33 Si4 Y -","- C50.3333 H93.6667 K N2 O7.33333 Si4 Y -","- C302 H562 K6 N12 O44 Si24 Y6 -","6","3","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.1094","0.0625","","","0.145","0.1672","","","","","","1.001","","","","has coordinates,has disorder","154502","2020-10-21","18:00:00",""
"4086234","13.807","0.003","13.959","0.003","15.063","0.003","108.975","0.002","92.819","0.002","101.386","0.002","2671.1","1","128","2","128","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H160 Dy2 K2 N4 O18 -","- C114 H160 Dy2 K2 N4 O18 -","- C114 H160 Dy2 K2 N4 O18 -","1","0.5","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.1193","0.0728","","","0.1765","0.2018","","","","","","1.018","","","","has coordinates","154503","2020-10-21","18:00:00",""
"4086235","11.6494","0.0011","11.6494","0.0011","10.0857","0.0009","90","","90","","120","","1185.34","0.19","133","2","133","2","","","","","","","","4","P 63","P 6c","173","","","","- C31 H29 Dy O -","- C30.9996 H28.9992 Dy O -","- C61.9992 H57.9984 Dy2 O2 -","2","0.333333","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0258","0.0224","","","0.053","0.0544","","","","","","1.095","","","","has coordinates,has disorder","154504","2020-10-21","18:00:00",""
"4086236","9.2717","0.0014","12.6044","0.0019","16.25","0.002","90","","90","","90","","1899","0.5","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 O Y -","- C22 H29 O Y -","- C88 H116 O4 Y4 -","4","1","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0502","0.0363","","","0.0871","0.0921","","","","","","1.056","","","","has coordinates","154505","2020-10-21","18:00:00",""
"4086237","7.7804","0.0009","13.8228","0.0015","16.0974","0.0017","90","","92.043","0.002","90","","1730.1","0.3","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 F Fe N O -","- C21 H20 F Fe N O -","- C84 H80 F4 Fe4 N4 O4 -","4","2","","Gao, De-Wei; Zheng, Chao; Gu, Qing; You, Shu-Li","Pd-Catalyzed Highly Enantioselective Synthesis of Planar Chiral Ferrocenylpyridine Derivatives","Organometallics","2015","34","18","4618","","10.1021/acs.organomet.5b00730","","","0.71073","MoKα","","0.0565","0.0375","","","0.0818","0.0874","","","","","","0.996","","","","has coordinates","160557","2020-10-21","18:00:00",""
"4086238","25.462","0.003","35.443","0.003","21.8849","0.0018","90","","90","","90","","19750","3","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C174 H132 Ag5 Br5 N12 -","- C174 H132 Ag5 Br5 N12 -","- C696 H528 Ag20 Br20 N48 -","4","0.5","","Grande-Carmona, Francisca; Iglesias-Sigüenza, Javier; Álvarez, Eleuterio; Díez, Elena; Fernández, Rosario; Lassaletta, José","Synthesis and Characterization of Axially Chiral Imidazoisoquinolin-2-ylidene Silver and Gold Complexes","Organometallics","2015","","","150924155910003","","10.1021/acs.organomet.5b00681","","","0.71073","MoKα","","0.0997","0.0693","","","0.1565","0.1675","","","","","","0.953","","","","has coordinates","158436","2020-10-21","18:00:00",""
"4086242","16.578","0.003","17.187","0.003","17.842","0.004","86.14","0.03","87.59","0.03","73.73","0.03","4867.6","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H84 F12 N12 O24 Ru4 S4 -","- C74 H78 F12 N12 O24 Ru4 S4 -","- C148 H156 F24 N24 O48 Ru8 S8 -","2","1","","Dubey, Abhishek; Jeong, Yong Joon; Jo, Jae Ho; Woo, Sangkook; Kim, Dong Hwan; Kim, Hyunuk; Kang, Se Chan; Stang, Peter J.; Chi, Ki-Whan","Anticancer Activity and Autophagy Involvement of Self-Assembled Arene‒Ruthenium Metallacycles","Organometallics","2015","34","18","4507","","10.1021/acs.organomet.5b00512","","","0.8","synchrotron","","0.1324","0.1282","","","0.4233","0.4361","","","","","","2.239","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086243","18.6135","0.0011","11.1826","0.0006","43.152","0.003","90","","96.296","0.0018","90","","8927.8","0.9","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H104 B2 N8 O3 Rh2 -","- C95 H104 B2 N8 O3 Rh2 -","- C380 H416 B8 N32 O12 Rh8 -","4","1","","Diachenko, Vera; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Bimetallic N-Heterocyclic Carbene Rh(I) Complexes: Probing the Cooperative Effect for the Catalyzed Hydroelementation of Alkynes","Organometallics","2015","34","18","4543","","10.1021/acs.organomet.5b00594","","","0.71073","MoKα","","0.105","0.0745","","","0.1899","0.2085","","","","","","0.879","","","","has coordinates,has disorder","160423","2020-10-21","18:00:00",""
"4086244","13.467","0.003","21.557","0.006","14.219","0.004","90","","98.858","0.009","90","","4078.7","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 B Cl2 N4 Rh -","- C47 H48 B Cl2 N4 Rh -","- C188 H192 B4 Cl8 N16 Rh4 -","4","1","","Diachenko, Vera; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Bimetallic N-Heterocyclic Carbene Rh(I) Complexes: Probing the Cooperative Effect for the Catalyzed Hydroelementation of Alkynes","Organometallics","2015","34","18","4543","","10.1021/acs.organomet.5b00594","","","0.71073","MoKα","","0.1144","0.0551","","","0.1044","0.1291","","","","","","1.023","","","","has coordinates","160423","2020-10-21","18:00:00",""
"4086245","17.6558","0.0013","15.2049","0.0012","26.623","0.002","90","","105.822","0.002","90","","6876.3","0.9","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H56 B2 F20 Fe N6 O3 -","- C74 H56 B2 F20 Fe N6 O3 -","- C296 H224 B8 F80 Fe4 N24 O12 -","4","1","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.0796","0.0504","","0.1353","0.1211","0.1353","","","","","","0.9332","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086246","12.5828","0.0007","18.0547","0.001","22.4004","0.0014","90","","91.1154","0.0019","90","","5087.9","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 B Fe N6 O4.5 -","- C54 H65 B Fe N6 O4.5 -","- C216 H260 B4 Fe4 N24 O18 -","4","1","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.1118","0.07","","0.2241","0.1836","0.2236","","","","","","0.9728","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086247","13.6785","0.0007","17.1727","0.0009","22.6227","0.0011","90","","91.8844","0.0017","90","","5311.1","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 B2 Fe N6 O1.5 -","- C54 H72 B2 Fe N6 O1.5 -","- C216 H288 B8 Fe4 N24 O6 -","4","1","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.0916","0.0687","","0.2181","0.1877","0.2181","","","","","","1.0238","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086248","15.9892","0.0005","16.2233","0.0006","16.4966","0.0005","67.9708","0.0018","77.5592","0.0018","70.378","0.0017","3716.7","0.2","186","2","186","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H104 B Fe K N8 O11 -","- C74 H104 B Fe K N8 O11 -","- C148 H208 B2 Fe2 K2 N16 O22 -","2","1","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.1114","0.0573","","","0.1374","0.1601","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086249","12.5758","0.0009","17.946","0.0012","22.3934","0.0014","90","","91.29","0.003","90","","5052.6","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 B Fe N6 O5 -","- C56 H68 B Fe N6 O5 -","- C224 H272 B4 Fe4 N24 O20 -","4","1","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.1269","0.0762","","0.2404","0.2018","0.24","","","","","","0.96","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086250","12.1967","0.0004","13.3189","0.0005","14.1835","0.0007","70.683","0.002","64.984","0.003","73.397","0.002","1941.5","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H88 B2 Fe2 K2 N12 O4 -","- C88 H88 B2 Fe2 K2 N12 O4 -","- C88 H88 B2 Fe2 K2 N12 O4 -","1","0.5","","Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.","Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand","Organometallics","2015","34","18","4560","","10.1021/acs.organomet.5b00646","","","0.71073","MoKα","","0.0713","0.0454","","0.1178","0.1096","0.1178","","","","","","0.9484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086251","11.7187","0.0005","18.5843","0.0005","9.2912","0.0004","90","","110.649","0.005","90","","1893.48","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H17 Cl I N3 O -","- C17 H17 Cl I N3 O -","- C68 H68 Cl4 I4 N12 O4 -","4","1","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0431","0.0306","","","0.0664","0.0736","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086252","10.6467","0.0002","11.8508","0.0004","14.0513","0.0004","103.966","0.003","102.639","0.002","92.436","0.002","1670.26","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 I2 N6 O2 -","- C28 H28 Cl2 I2 N6 O2 -","- C56 H56 Cl4 I4 N12 O4 -","2","1","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0658","0.0485","","","0.1305","0.1443","","","","","","1.13","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086253","14.1508","0.0011","23.3956","0.0011","11.486","0.0007","90","","112.8","0.008","90","","3505.5","0.4","293","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 I2 N7 O2 -","- C30 H28 Cl2 I2 N7 O2 -","- C120 H112 Cl8 I8 N28 O8 -","4","1","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0864","0.0685","","","0.1601","0.1761","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086254","26.122","0.002","7.5494","0.0005","20.104","0.0016","90","","102.4","0.008","90","","3872.1","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Au Cl I N3 O -","- C17 H16 Au Cl I N3 O -","- C136 H128 Au8 Cl8 I8 N24 O8 -","8","1","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0385","0.03","","","0.0773","0.084","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086255","26.4911","0.0018","7.552","0.0003","21.859","0.0015","90","","112.428","0.008","90","","4042.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cl2 I2 N6 O2 Pd2 -","- C34 H36 Cl2 I2 N6 O2 Pd2 -","- C136 H144 Cl8 I8 N24 O8 Pd8 -","4","0.5","","Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa","Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes","Organometallics","2015","34","18","4529","","10.1021/acs.organomet.5b00571","","","0.71073","MoKα","","0.0967","0.0809","","","0.2578","0.2706","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086256","9.56244","0.00016","17.22","0.0003","10.7458","0.0002","90","","95.6935","0.0015","90","","1760.73","0.05","122.98","0.17","122.98","0.17","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H52 Cl2 N3 O3 P Pd -","- C32 H52 Cl2 N3 O3 P Pd -","- C64 H104 Cl4 N6 O6 P2 Pd2 -","2","1","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.043","0.0396","","","0.0983","0.1008","","","","","","1.012","","","","has coordinates","160426","2020-10-21","18:00:00",""
"4086257","13.9031","0.0003","16.1632","0.0004","16.5945","0.0004","90","","90","","90","","3729.09","0.15","123","0.1","123","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Cl2 N4 O4 P Pd -","- C32 H57 Cl2 N4 O4 P Pd -","- C128 H228 Cl8 N16 O16 P4 Pd4 -","4","1","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.0529","0.0487","","","0.1296","0.1342","","","","","","1.034","","","","has coordinates","160427","2020-10-21","18:00:00",""
"4086258","12.9145","0.00009","18.8371","0.0001","24.4015","0.00013","90","","90","","90","","5936.2","0.06","123","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Cl2 N3 O3 P Pd -","- C24 H38 Cl2 N3 O3 P Pd -","- C192 H304 Cl16 N24 O24 P8 Pd8 -","8","2","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.0353","0.0349","","","0.0882","0.0888","","","","","","1.029","","","","has coordinates","160428","2020-10-21","18:00:00",""
"4086259","13.7203","0.0017","14.27","0.0017","15.711","0.0019","97.749","0.002","99.17","0.002","111.495","0.002","2762.3","0.6","100","2","100","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C57 H69 B Cl3 Ir P2 -","- C57 H69 B Cl3 Ir P2 -","- C114 H138 B2 Cl6 Ir2 P4 -","2","1","","Sánchez-Sordo, Irene; Salinas, Sara Mart\?ínez de; D\?íez, Josefina; Lastra, Elena; Gamasa, M. Pilar","κ3(P,C,C)-Allylphosphane Iridium(III) and Rhodium(III) Complexes: Preparation and Reactivity toward Nucleophilic Reagents","Organometallics","2015","34","18","4581","","10.1021/acs.organomet.5b00665","","","0.71073","MoKα","","0.0538","0.0451","","","0.118","0.123","","","","","","1.081","","","","has coordinates","160429","2020-10-21","18:00:00",""
"4086260","11.9219","0.0003","12.5234","0.0004","15.5992","0.0005","82.033","0.002","74.741","0.002","75.953","0.003","2172.75","0.12","150","2","150","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C46 H60 B Cl2 N P Rh -","- C46 H60 B Cl2 N P Rh -","- C92 H120 B2 Cl4 N2 P2 Rh2 -","2","1","","Sánchez-Sordo, Irene; Salinas, Sara Mart\?ínez de; D\?íez, Josefina; Lastra, Elena; Gamasa, M. Pilar","κ3(P,C,C)-Allylphosphane Iridium(III) and Rhodium(III) Complexes: Preparation and Reactivity toward Nucleophilic Reagents","Organometallics","2015","34","18","4581","","10.1021/acs.organomet.5b00665","","","1.54184","CuKα","","0.0417","0.0372","","","0.0995","0.1028","","","","","","1.062","","","","has coordinates","160429","2020-10-21","18:00:00",""
"4086261","12.1476","0.0008","12.1938","0.0006","14.0901","0.0008","82.623","0.004","72.939","0.005","83.425","0.005","1972.2","0.2","150","2","150","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C44 H57 B Ir P S -","- C44 H57 B Ir P S -","- C88 H114 B2 Ir2 P2 S2 -","2","1","","Sánchez-Sordo, Irene; Salinas, Sara Mart\?ínez de; D\?íez, Josefina; Lastra, Elena; Gamasa, M. Pilar","κ3(P,C,C)-Allylphosphane Iridium(III) and Rhodium(III) Complexes: Preparation and Reactivity toward Nucleophilic Reagents","Organometallics","2015","34","18","4581","","10.1021/acs.organomet.5b00665","","","1.54184","CuKα","","0.0546","0.0477","","","0.122","0.1276","","","","","","1.064","","","","has coordinates","160429","2020-10-21","18:00:00",""
"4086262","8.365","0.0008","25.177","0.003","11.5074","0.0011","90","","95.0676","0.0018","90","","2414","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonlm16","Pd(dippe)(tolyl)I","","- C21 H39 I P2 Pd -","- C21 H39 I P2 Pd -","- C84 H156 I4 P8 Pd4 -","4","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.0625","0.0444","","","0.123","0.1275","","","","","","1.087","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086263","8.4668","0.001","23.38","0.003","11.7888","0.0015","90","","94.654","0.003","90","","2325.9","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonlm17","Pd(dippe)(Ph)I","","- C20 H37 I P2 Pd -","- C20 H37 I P2 Pd -","- C80 H148 I4 P8 Pd4 -","4","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.0839","0.0466","","","0.1119","0.1217","","","","","","1.035","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086264","12.9434","0.001","14.8315","0.0012","14.7678","0.0012","90","","98.5348","0.0016","90","","2803.6","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonlm19","Pd(dippe)(tolyl)(SPh)","","- C27 H44 P2 Pd S -","- C27 H44 P2 Pd S -","- C108 H176 P8 Pd4 S4 -","4","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.055","0.0343","","","0.0693","0.0767","","","","","","1.038","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086265","8.5536","0.0011","11.3855","0.0015","16.083","0.002","83.832","0.003","84.05","0.003","78.966","0.003","1522.9","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonlm27","Pd(dippe)(Stolyl)(Ph)","","- C30.5 H48 P2 Pd S -","- C30.5 H48 P2 Pd S -","- C61 H96 P4 Pd2 S2 -","2","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.1279","0.063","","","0.104","0.1239","","","","","","1.005","","","","has coordinates,has disorder","160430","2020-10-21","18:00:00",""
"4086266","8.434","0.003","11.375","0.004","27.611","0.009","90.138","0.006","90.198","0.007","99.772","0.006","2610.4","1.6","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonlm23","Pd(dippe)(SPh)(Ph)","","- C26 H42 P2 Pd S -","- C26 H42 P2 Pd S -","- C104 H168 P8 Pd4 S4 -","4","2","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.1204","0.083","","","0.1581","0.175","","","","","","1.07","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086267","8.5527","0.001","11.7572","0.0014","14.5984","0.0017","99.492","0.003","90.559","0.002","99.741","0.002","1425.9","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonlm25","Pd(dippe)(Stolyl)(tolyl)","","- C28 H46 P2 Pd S -","- C28 H46 P2 Pd S -","- C56 H92 P4 Pd2 S2 -","2","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.115","0.0614","","","0.1039","0.1231","","","","","","0.999","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086268","16.9148","0.0019","8.5457","0.001","21.427","0.002","90","","108.432","0.002","90","","2938.4","0.6","100","0.5","100","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","jonlm26","Pd(dippe)(Stolyl)2","","- C28 H46 P2 Pd S2 -","- C28 H46 P2 Pd S2 -","- C112 H184 P8 Pd4 S8 -","4","0.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Mechanistic Insights in the Exchange of Arylthiolate Groups in Aryl(arylthiolato)palladium Complexes Supported by a Dippe Ligand","Organometallics","2015","34","18","4574","","10.1021/acs.organomet.5b00662","","","0.71073","MoKα","","0.1005","0.051","","","0.087","0.1036","","","","","","1.004","","","","has coordinates","160430","2020-10-21","18:00:00",""
"4086269","8.4804","0.0003","11.0034","0.0005","19.7233","0.001","84.037","0.001","77.997","0.002","68.949","0.001","1679.2","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Mo O10 P2 S2 -","- C34 H28 Mo O10 P2 S2 -","- C68 H56 Mo2 O20 P4 S4 -","2","1","","Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.","Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities","Organometallics","2015","34","18","4605","","10.1021/acs.organomet.5b00693","","","1.54178","CuKα","","0.0249","0.0244","","","0.0613","0.0615","","","","","","1.081","","","","has coordinates","160431","2020-10-21","18:00:00",""
"4086270","14.889","0.005","33.464","0.011","9.693","0.004","90","","104.85","0.011","90","","4668","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 Cl Mo2 O14 P2 S3 -","- C41.5 H32 Cl Mo2 O14 P2 S3 -","- C166 H128 Cl4 Mo8 O56 P8 S12 -","4","1","","Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.","Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities","Organometallics","2015","34","18","4605","","10.1021/acs.organomet.5b00693","","","1.54178","CuKα","","0.0423","0.0354","","","0.089","0.0926","","","","","","1.064","","","","has coordinates,has disorder","160431","2020-10-21","18:00:00",""
"4086271","15.7709","0.0003","12.5117","0.0003","20.0818","0.0004","90","","106.419","0.001","90","","3800.96","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Mo O10 P2 S3 -","- C36 H32 Mo O10 P2 S3 -","- C144 H128 Mo4 O40 P8 S12 -","4","1","","Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.","Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities","Organometallics","2015","34","18","4605","","10.1021/acs.organomet.5b00693","","","1.54178","CuKα","","0.0351","0.0344","","","0.0905","0.0911","","","","","","1.079","","","","has coordinates","160431","2020-10-21","18:00:00",""
"4086272","10.8001","0.0003","19.3783","0.0005","22.6139","0.0005","69.601","0.001","80.106","0.001","88.876","0.001","4365.87","0.19","102","2","102","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H34 Cl4 Mo O10 P2 Pt S3 -","- C37 H34 Cl4 Mo O10 P2 Pt S3 -","- C148 H136 Cl16 Mo4 O40 P8 Pt4 S12 -","4","2","","Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.","Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities","Organometallics","2015","34","18","4605","","10.1021/acs.organomet.5b00693","","","1.54178","CuKα","","0.043","0.0325","","","0.0754","0.0825","","","","","","1.031","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4086273","12.9707","0.0003","20.5722","0.0004","13.4438","0.0003","90","","94.864","0.001","90","","3574.37","0.13","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Mo O10 P2 S2 -","- C38 H28 Mo O10 P2 S2 -","- C152 H112 Mo4 O40 P8 S8 -","4","1","","Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.","Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities","Organometallics","2015","34","18","4605","","10.1021/acs.organomet.5b00693","","","1.54178","CuKα","","0.0292","0.0281","","","0.0728","0.0736","","","","","","1.032","","","","has coordinates","160431","2020-10-21","18:00:00",""
"4086274","26.4511","0.0017","9.2696","0.0007","39.413","0.003","90","","97.784","0.002","90","","9574.7","1.2","100","1","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B F4 Ir N O -","- C18 H23 B F4 Ir N O -","- C360 H460 B20 F80 Ir20 N20 O20 -","20","5","","D’Amato, Erica M.; Neumann, Constanze N.; Ritter, Tobias","Selective Aromatic C‒H Hydroxylation Enabled by η6-Coordination to Iridium(III)","Organometallics","2015","34","18","4626","","10.1021/acs.organomet.5b00731","","","0.71073","MoKα","","0.0713","0.0485","","","0.083","0.0889","","","","","","1.165","","","","has coordinates,has disorder","160432","2020-10-21","18:00:00",""
"4086275","11.5996","0.0006","13.1456","0.0007","10.9589","0.0005","90","","90","","90","","1671.05","0.15","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Fe0.5 Ni O2 P -","- C17 H20 Fe0.5 Ni O2 P -","- C68 H80 Fe2 Ni4 O8 P4 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0351","0.0342","","","0.0898","0.0906","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086276","11.4622","0.0006","13.3606","0.0007","11.1153","0.0005","90","","90","","90","","1702.22","0.15","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H20 Fe0.5 O2 P Pd -","- C17 H20 Fe0.5 O2 P Pd -","- C68 H80 Fe2 O8 P4 Pd4 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.015","0.0142","","","0.0352","0.0362","","","","","","1.172","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086277","15.9326","0.0008","16.5136","0.0009","18.4384","0.001","90.49","0.003","114.618","0.002","105.162","0.002","4218.4","0.4","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C40 H47.5 B Co F4 N1.5 O4 P2 Pd2 -","- C40 H47.5 B Co F4 N1.5 O4 P2 Pd2 -","- C160 H190 B4 Co4 F16 N6 O16 P8 Pd8 -","4","2","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0351","0.0264","","","0.0669","0.0772","","","","","","1.077","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086278","14.0587","0.0005","14.2422","0.0005","18.4208","0.0006","90","","90","","90","","3688.3","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Fe O6 P2 Pd2 -","- C36 H44 Fe O6 P2 Pd2 -","- C144 H176 Fe4 O24 P8 Pd8 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0644","0.0325","","","0.0638","0.0762","","","","","","1.07","","","","has coordinates","160433","2020-10-21","18:00:00",""
"4086279","15.7355","0.0005","13.6086","0.0004","15.8392","0.0005","90","","90.1244","0.0015","90","","3391.77","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Co O4 P2 Pd2 -","- C34 H40 Co O4 P2 Pd2 -","- C136 H160 Co4 O16 P8 Pd8 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0537","0.0378","","","0.0791","0.0879","","","","","","1.175","","","","has coordinates","160433","2020-10-21","18:00:00",""
"4086280","11.6117","0.0003","19.4124","0.0005","18.2155","0.0004","90","","94.8479","0.0008","90","","4091.28","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl2 Fe N2 O3 Si2 -","- C39 H52 Cl2 Fe N2 O3 Si2 -","- C156 H208 Cl8 Fe4 N8 O12 Si8 -","4","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0592","0.0393","","","0.1075","0.1215","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086281","8.2035","0.0003","10.0373","0.0003","15.7599","0.0005","77.28","0.001","77.825","0.001","76.808","0.001","1214.67","0.07","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C22 H34 Fe N2 O3 Si2 -","- C22 H34 Fe N2 O3 Si2 -","- C44 H68 Fe2 N4 O6 Si4 -","2","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0435","0.0348","","","0.1022","0.114","","","","","","1.151","","","","has coordinates","160434","2020-10-21","18:00:00",""
"4086282","14.7502","0.0004","16.7058","0.0004","23.0615","0.0005","90","","90","","90","","5682.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C26 H42 Fe N2 O3 Si2 -","- C26 H42 Fe N2 O3 Si2 -","- C208 H336 Fe8 N16 O24 Si16 -","8","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0437","0.0334","","","0.0798","0.0848","","","","","","1.034","","","","has coordinates,has disorder","160434","2020-10-21","18:00:00",""
"4086283","10.4166","0.0004","21.1251","0.0007","16.6337","0.0007","90","","93.953","0.001","90","","3651.6","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Fe N2 O3 Si2 -","- C32 H50 Fe N2 O3 Si2 -","- C128 H200 Fe4 N8 O12 Si8 -","4","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0708","0.0472","","","0.116","0.1243","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086284","11.2175","0.0004","20.1571","0.0006","15.8102","0.0005","90","","93.404","0.002","90","","3568.6","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Fe N2 O3 Si2 -","- C35 H50 Fe N2 O3 Si2 -","- C140 H200 Fe4 N8 O12 Si8 -","4","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0896","0.054","","","0.1161","0.1308","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086285","10.356","0.003","15.454","0.004","11.602","0.003","90","","101.012","0.009","90","","1822.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C37 H48 Fe N2 O3 Si2 -","- C37 H48 Fe N2 O3 Si2 -","- C74 H96 Fe2 N4 O6 Si4 -","2","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0939","0.0656","","","0.1438","0.1611","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086286","15.8852","0.0003","12.0588","0.0002","15.3725","0.0003","90","","96.624","0.0009","90","","2925.04","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H28 Co F3 O2 P2 -","- C32.5 H28 Co F3 O2 P2 -","- C130 H112 Co4 F12 O8 P8 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0349","0.0297","","","0.0781","0.0817","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086287","10.6178","0.0006","13.4897","0.0005","16.3442","0.0008","70.515","0.002","89.133","0.003","70.588","0.002","2069.37","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 Co F5 O4 P3 S -","- C43 H39 Co F5 O4 P3 S -","- C86 H78 Co2 F10 O8 P6 S2 -","2","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0734","0.0484","","","0.1204","0.134","","","","","","1.029","","","","has coordinates,has disorder","160436","2020-10-21","18:00:00",""
"4086288","7.9032","0.0005","19.0147","0.0014","21.3182","0.0014","90","","90","","90","","3203.6","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Co F3 O P3 -","- C36 H33 Co F3 O P3 -","- C144 H132 Co4 F12 O4 P12 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0626","0.0405","","","0.0689","0.0757","","","","","","1.011","","","","has coordinates","160437","2020-10-21","18:00:00",""
"4086289","17.7173","0.0009","9.8573","0.0005","21.8664","0.0011","90","","104.749","0.002","90","","3693","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Co F3 N2 O3 -","- C38 H46 Co F3 N2 O3 -","- C152 H184 Co4 F12 N8 O12 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0756","0.0456","","","0.1047","0.1166","","","","","","1.013","","","","has coordinates","160438","2020-10-21","18:00:00",""
"4086290","10.9801","0.0002","13.0816","0.0003","17.8831","0.0004","90","","102.579","0.0013","90","","2507.02","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Co F3 O6 P -","- C25 H21 Co F3 O6 P -","- C100 H84 Co4 F12 O24 P4 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0493","0.0348","","","0.0872","0.0956","","","","","","1.016","","","","has coordinates","160439","2020-10-21","18:00:00",""
"4086291","11.2477","0.0014","11.5288","0.0018","16.682","0.002","103.532","0.007","93.738","0.007","94.584","0.006","2088.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 Cl F4 Ir N4 -","- C43 H34 Cl F4 Ir N4 -","- C86 H68 Cl2 F8 Ir2 N8 -","2","1","","Alam, Parvej; Kaur, Gurpreet; Sarmah, Amrit; Roy, Ram Kinkar; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman","Highly Selective Detection of H+and OH‒with a Single-Emissive Iridium(III) Complex: A Mild Approach to Conversion of Non-AIEE to AIEE Complex","Organometallics","2015","34","18","4480","","10.1021/acs.organomet.5b00447","","","0.71073","MoKα","","0.0744","0.0685","","","0.1857","0.1958","","","","","","1.083","","","","has coordinates","160440","2020-10-21","18:00:00",""
"4086292","11.8957","0.0014","29.649","0.003","12.2559","0.0014","90","","105.336","0.002","90","","4168.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N7 Si4 Y -","- C34 H58 N7 Si4 Y -","- C136 H232 N28 Si16 Y4 -","4","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.1052","0.0511","","","0.0975","0.1134","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086293","11.9169","0.0008","29.663","0.002","12.249","0.0008","90","","105.256","0.001","90","","4177.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Eu N7 Si4 -","- C34 H58 Eu N7 Si4 -","- C136 H232 Eu4 N28 Si16 -","4","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0798","0.0424","","","0.075","0.0853","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086294","11.8985","0.0011","29.713","0.003","12.2534","0.0011","90","","104.959","0.001","90","","4185.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Er N7 Si4 -","- C34 H58 Er N7 Si4 -","- C136 H232 Er4 N28 Si16 -","4","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0805","0.0633","","","0.183","0.1935","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086295","10.9565","0.0018","12.319","0.003","17.945","0.003","77.695","0.002","74.583","0.002","80.281","0.002","2265.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H66 N7 Si4 Y -","- C38 H66 N7 Si4 Y -","- C76 H132 N14 Si8 Y2 -","2","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.1069","0.0547","","","0.1194","0.1384","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086296","10.961","0.0006","12.3125","0.0007","17.9218","0.001","77.749","0.001","74.645","0.001","80.226","0.001","2262.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H66 Er N7 Si4 -","- C38 H66 Er N7 Si4 -","- C76 H132 Er2 N14 Si8 -","2","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0488","0.0347","","","0.0797","0.0851","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086297","10.929","0.004","12.244","0.004","17.881","0.006","77.729","0.004","74.611","0.004","80.56","0.005","2239.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H66 N7 Si4 Yb -","- C38 H66 N7 Si4 Yb -","- C76 H132 N14 Si8 Yb2 -","2","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.093","0.0742","","","0.1959","0.214","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086298","10.2958","0.0016","11.9008","0.0018","17.378","0.003","91.658","0.002","100.274","0.002","113.611","0.002","1907.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H23 N5 -","- C22 H23 N5 -","- C88 H92 N20 -","4","2","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0954","0.0604","","","0.1705","0.1931","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086299","28.4314","0.0015","11.3802","0.0006","22.8123","0.0012","90","","90.918","0.001","90","","7380.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 I N6 Si2 Yb -","- C32 H48 I N6 Si2 Yb -","- C256 H384 I8 N48 Si16 Yb8 -","8","1","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0802","0.0615","","","0.1944","0.2134","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086300","17.763","0.002","16.761","0.002","8.151","0.001","90","","93.21","0.002","90","","2423","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 F3 N3 O3 -","- C21 H12 F3 N3 O3 -","- C84 H48 F12 N12 O12 -","4","0.5","","Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng","Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes","Organometallics","2015","34","18","4553","","10.1021/acs.organomet.5b00628","","","0.71073","MoKα","","0.0912","0.0479","","","0.1185","0.1305","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086301","15.573","0.002","8.0007","0.0011","15.503","0.002","90","","97.7172","0.0016","90","","1914.1","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6.5 H11 Cr0.5 F3 N1.5 Sb0.5 -","- C6.5 H11 Cr0.5 F3 N1.5 Sb0.5 -","- C52 H88 Cr4 F24 N12 Sb4 -","8","2","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","0.71073","MoKα","","0.0809","0.0475","","","0.122","0.1477","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086302","12.522","0.0016","7.4596","0.0009","11.2323","0.0014","90","","98.154","0.002","90","","1038.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe O2 -","- C12 H10 Fe O2 -","- C48 H40 Fe4 O8 -","4","1","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","0.71073","MoKα","","0.0375","0.0271","","","0.0627","0.0686","","","","","","1.037","","","","has coordinates","160442","2020-10-21","18:00:00",""
"4086303","7.4468","0.0003","18.9011","0.0008","13.5482","0.0006","90","","94.472","0.001","90","","1901.14","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H33 Cr N3 -","- C17 H33 Cr N3 -","- C68 H132 Cr4 N12 -","4","1","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","0.71073","MoKα","","0.0448","0.0432","","","0.1238","0.1253","","","","","","1.113","","","","has coordinates","160442","2020-10-21","18:00:00",""
"4086304","7.5391","0.0001","19.8549","0.0002","14.189","0.0002","90","","93.127","0.001","90","","2120.76","0.05","173.01","","173.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Cr N3 -","- C21 H35 Cr N3 -","- C84 H140 Cr4 N12 -","4","1","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","1.54178","CuKα","","0.0464","0.0361","","","0.0914","0.0967","","","","","","1.022","","","","has coordinates","160442","2020-10-21","18:00:00",""
"4086305","7.482","0.0002","15.2516","0.0003","11.2717","0.0002","90","","95.0142","0.0015","90","","1281.32","0.05","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 Cl Cr N2 -","- C11 H19 Cl Cr N2 -","- C44 H76 Cl4 Cr4 N8 -","4","1","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","1.54178","CuKα","","0.1306","0.051","","","0.0731","0.0893","","","","","","0.783","","","","has coordinates","160442","2020-10-21","18:00:00",""
"4086306","15.9294","0.0005","8.5777","0.0003","13.0331","0.0004","90","","99.806","0.002","90","","1754.79","0.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cr N2 O2 -","- C18 H24 Cr N2 O2 -","- C72 H96 Cr4 N8 O8 -","4","1","","Billow, Brennan S.; Bemowski, Ross D.; DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Synthesis and Structure of Chromium(VI) Nitrido Cyclopentadienyl Complexes","Organometallics","2015","34","18","4567","","10.1021/acs.organomet.5b00661","","","1.54178","CuKα","","0.0595","0.0472","","","0.121","0.1286","","","","","","1.084","","","","has coordinates","160442","2020-10-21","18:00:00",""
"4086307","8.5769","0.0012","11.8151","0.0016","14.119","0.002","98.924","0.006","99.556","0.006","101.077","0.006","1358.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl N O2 Rh -","- C29 H35 Cl N O2 Rh -","- C58 H70 Cl2 N2 O4 Rh2 -","2","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Paitandi, Rajendra Prasad; Rana, Nishant Kumar; Sharma, Gunjan; Koch, Biplob; Rana, Love Karan; Hundal, Maninder Singh; Pandey, Daya Shankar","Synthesis, Structure, DNA/Protein Binding, and Anticancer Activity of Some Half-Sandwich Cyclometalated Rh(III) and Ir(III) Complexes","Organometallics","2015","34","18","4491","","10.1021/acs.organomet.5b00475","","","0.71073","MoKα","","0.0405","0.0331","","","0.086","0.0916","","","","","","1.056","","","","has coordinates","160443","2020-10-21","18:00:00",""
"4086308","8.337","0.002","12.012","0.004","13.615","0.004","100.444","0.012","98.346","0.012","98.46","0.012","1305.4","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl N2 O2 Rh -","- C27 H32 Cl N2 O2 Rh -","- C54 H64 Cl2 N4 O4 Rh2 -","2","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Paitandi, Rajendra Prasad; Rana, Nishant Kumar; Sharma, Gunjan; Koch, Biplob; Rana, Love Karan; Hundal, Maninder Singh; Pandey, Daya Shankar","Synthesis, Structure, DNA/Protein Binding, and Anticancer Activity of Some Half-Sandwich Cyclometalated Rh(III) and Ir(III) Complexes","Organometallics","2015","34","18","4491","","10.1021/acs.organomet.5b00475","","","0.71073","MoKα","","0.0329","0.0289","","","0.0825","0.0876","","","","","","0.836","","","","has coordinates","160443","2020-10-21","18:00:00",""
"4086309","8.3652","0.0002","11.7625","0.0003","13.7771","0.0004","100.123","0.001","99.718","0.0011","98.578","0.001","1292.82","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N2 Rh -","- C28 H32 Cl N2 Rh -","- C56 H64 Cl2 N4 Rh2 -","2","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Paitandi, Rajendra Prasad; Rana, Nishant Kumar; Sharma, Gunjan; Koch, Biplob; Rana, Love Karan; Hundal, Maninder Singh; Pandey, Daya Shankar","Synthesis, Structure, DNA/Protein Binding, and Anticancer Activity of Some Half-Sandwich Cyclometalated Rh(III) and Ir(III) Complexes","Organometallics","2015","34","18","4491","","10.1021/acs.organomet.5b00475","","","0.71073","MoKα","","0.0359","0.0306","","","0.0746","0.0795","","","","","","1.014","","","","has coordinates","160443","2020-10-21","18:00:00",""
"4086310","17.354","0.0015","6.831","0.0004","25.563","0.004","90","","128.058","0.01","90","","2386.1","0.6","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O3 Pt -","- C30 H21 N3 O3 Pt -","- C120 H84 N12 O12 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) Complexes with Dibenzofuranyl-1,2,4-triazol-5-ylidene Ligands: Synthesis, Characterization, and Photoluminescent Properties","Organometallics","2015","34","18","4433","","10.1021/acs.organomet.5b00136","","","0.71073","MoKα","","0.1633","0.0612","","","0.1156","0.1677","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086311","12.95","0.0013","7.47","0.0014","25.877","0.004","90","","108.503","0.013","90","","2373.8","0.6","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O3 Pt -","- C30 H21 N3 O3 Pt -","- C120 H84 N12 O12 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) Complexes with Dibenzofuranyl-1,2,4-triazol-5-ylidene Ligands: Synthesis, Characterization, and Photoluminescent Properties","Organometallics","2015","34","18","4433","","10.1021/acs.organomet.5b00136","","","0.71073","MoKα","","0.064","0.0334","","","0.0472","0.0541","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086317","11.2537","0.0007","15.769","0.001","18.3056","0.001","92.83","0.002","103.028","0.002","97.627","0.002","3126.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H66 Cr2 O4 -","- C70 H99 Cr2 O4 -","- C140 H198 Cr4 O8 -","2","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.0837","0.0517","","","0.1269","0.1396","","","","","","1.244","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086318","20.0987","0.0015","9.4936","0.0006","23.0515","0.0016","90","","114.717","0.006","90","","3995.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H57 Cr N O2 -","- C44.5 H57 Cr N O2 -","- C178 H228 Cr4 N4 O8 -","4","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.0487","0.0452","","","0.126","0.1283","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086319","16.5562","0.0012","11.6116","0.0008","19.622","0.0014","90","","108.219","0.003","90","","3583.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Cr N O2 -","- C40 H61 Cr N O2 -","- C160 H244 Cr4 N4 O8 -","4","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.0534","0.0395","","","0.1112","0.1171","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086320","38.98","0.003","7.9005","0.0005","23.3612","0.0014","90","","94.504","0.002","90","","7172.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 Cr N O2 -","- C40 H59 Cr N O2 -","- C320 H472 Cr8 N8 O16 -","8","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.058","0.0401","","","0.0888","0.0945","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086321","12.752","0.0011","14.2255","0.0012","22.6759","0.0019","89.863","0.004","89.122","0.004","77.243","0.004","4011.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H59.5 Cr N2 O4 -","- C44 H59.2 Cr N2 O4 -","- C176 H236.8 Cr4 N8 O16 -","4","2","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.1133","0.0889","","","0.2368","0.2608","","","","","","1.059","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086322","8.4734","0.0006","11.3509","0.0009","22.1665","0.0018","99.899","0.004","91.98","0.004","100.716","0.004","2058.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cr F6 N2 O2 -","- C44 H54 Cr F6 N2 O2 -","- C88 H108 Cr2 F12 N4 O4 -","2","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.1342","0.1287","","","0.3297","0.3324","","","","","","1.149","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086323","11.411","0.002","11.8024","0.0018","21.695","0.004","93.822","0.005","99.414","0.006","102.134","0.006","2802.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H82 Cr N4 O2 -","- C66 H82 Cr N4 O2 -","- C132 H164 Cr2 N8 O4 -","2","1","","Yousif, Maryam; Tjapkes, Daniel J.; Lord, Richard L.; Groysman, Stanislav","Catalytic Formation of Asymmetric Carbodiimides at Mononuclear Chromium(II/IV) Bis(alkoxide) Complexes","Organometallics","2015","34","20","5119","","10.1021/acs.organomet.5b00703","","","0.71073","MoKα","","0.1706","0.0769","","","0.1495","0.186","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086325","18.0608","0.0005","18.0608","0.0005","104.861","0.005","90","","90","","120","","29622.3","1.8","123","2","123","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H100 Ag47 N35 O101 -","- C144 H72 Ag47 N35 O101 -","- C864 H432 Ag282 N210 O606 -","6","0.166667","","Li, Bao; Zhang, Tianle","A Luminescent 3D Organometallic Network Based on Silver Clusters and Star-like Tris(4-ethynylphenyl)amine","Organometallics","2015","34","20","4796","","10.1021/acs.organomet.5b00761","","","0.71073","MoKα","","0.1415","0.0902","","","0.2178","0.2434","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086326","18.7532","0.0009","12.5873","0.0006","15.6898","0.0007","90","","96.33","0.003","90","","3681","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 Br Co O P2 -","- C38 H56 Br Co O P2 -","- C152 H224 Br4 Co4 O4 P8 -","4","1","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.0651","0.0392","","","0.0892","0.0997","","","","","","0.98","","","","has coordinates","169806","2020-10-21","18:00:00",""
"4086327","21.062","0.008","10.977","0.004","29.071","0.011","90","","105.84","0.02","90","","6466","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl P2 Rh -","- C34 H48 Cl P2 Rh -","- C272 H384 Cl8 P16 Rh8 -","8","2","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.129","0.0699","","","0.0808","0.085","","","","","","1.816","","","","has coordinates,has disorder","169806","2020-10-21","18:00:00",""
"4086328","15.4739","0.0005","15.4739","0.0005","11.8879","0.0005","90","","90","","120","","2465.1","0.15","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C35 H47 Ir O2 P2 -","- C35 H47 Ir O2 P2 -","- C105 H141 Ir3 O6 P6 -","3","1","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.0333","0.0249","","","0.0404","0.0421","","","","","","0.907","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086329","15.5042","0.0007","15.5042","0.0007","11.8599","0.0008","90","","90","","120","","2468.9","0.2","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C35 H50 O P2 Pt -","- C35 H50 O P2 Pt -","- C105 H150 O3 P6 Pt3 -","3","1","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.0294","0.0234","","","0.04","0.0411","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086330","17.0566","0.0007","10.93","0.0004","33.5079","0.0014","90","","97.838","0.002","90","","6188.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl N Ni O P2 -","- C32 H44 Cl N Ni O P2 -","- C256 H352 Cl8 N8 Ni8 O8 P16 -","8","2","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.1091","0.057","","","0.1043","0.1195","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086331","26.5795","0.0009","23.0419","0.0008","24.1024","0.0008","90","","103.664","0.001","90","","14343.5","0.8","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37.5 H54 Cl O P2 Rh -","- C37.5 H54 Cl O P2 Rh -","- C600 H864 Cl16 O16 P32 Rh16 -","16","4","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.1478","0.0639","","","0.0915","0.1113","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086332","11.2133","0.0004","15.38","0.0006","19.1855","0.0008","90","","92.738","0.002","90","","3305","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 O P2 Pd0.69 -","- C35 H50 O P2 Pd0.6881 -","- C140 H200 O4 P8 Pd2.7524 -","4","1","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.0903","0.0674","","","0.1917","0.2031","","","","","","1.211","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086333","12.3085","0.0005","17.2927","0.0007","21.7237","0.0009","82.133","0.002","86.587","0.002","86.032","0.002","4563.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H59 B2 F8 N3 O P2 Pd -","- C41 H59 B2 F8 N3 O P2 Pd -","- C164 H236 B8 F32 N12 O4 P8 Pd4 -","4","2","","Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor","Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism","Organometallics","2015","","","","","10.1021/acs.organomet.5b00710","","","0.71073","MoKα","","0.0909","0.0548","","","0.1289","0.1472","","","","","","1.044","","","","has coordinates,has disorder","169806","2020-10-21","18:00:00",""
"4086334","10.9788","0.0002","12.4374","0.0003","22.7307","0.0005","90","","98.937","0.001","90","","3066.14","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Al N2 O -","- C33 H49 Al N2 O -","- C132 H196 Al4 N8 O4 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.","Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center","Organometallics","2015","34","22","5363","","10.1021/acs.organomet.5b00793","","","0.71073","MoKα","","0.0528","0.0423","","","0.1132","0.1219","","","","","","1.019","","","","has coordinates","170824","2020-10-21","18:00:00",""
"4086335","13.848","0.0004","14.7791","0.0004","16.4335","0.0005","90","","98.814","0.0015","90","","3323.58","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51.5 Al F N2 -","- C34 H51.5 Al F N2 -","- C136 H206 Al4 F4 N8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.","Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center","Organometallics","2015","34","22","5363","","10.1021/acs.organomet.5b00793","","","0.71073","MoKα","","0.0781","0.0494","","","0.1203","0.1374","","","","","","1.007","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4086336","12.1958","0.0003","22.386","0.0005","12.599","0.0003","90","","109.438","0.0011","90","","3243.66","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Al F4 N2 -","- C35 H43 Al F4 N2 -","- C140 H172 Al4 F16 N8 -","4","1","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.","Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center","Organometallics","2015","34","22","5363","","10.1021/acs.organomet.5b00793","","","0.71073","MoKα","","0.0439","0.0376","","","0.1033","0.1094","","","","","","1.036","","","","has coordinates","170824","2020-10-21","18:00:00",""
"4086337","8.9145","0.0006","19.8791","0.0012","10.0955","0.0006","90","","114.254","0.0017","90","","1631.13","0.18","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H52 Al F N2 -","- C35 H52 Al F N2 -","- C70 H104 Al2 F2 N4 -","2","0.5","","Chu, Terry; Boyko, Yaroslav; Korobkov, Ilia; Nikonov, Georgii I.","Transition Metal-like Oxidative Addition of C‒F and C‒O Bonds to an Aluminum(I) Center","Organometallics","2015","34","22","5363","","10.1021/acs.organomet.5b00793","","","0.71073","MoKα","","0.0457","0.0398","","","0.1105","0.1164","","","","","","1.049","","","","has coordinates","170824","2020-10-21","18:00:00",""
"4086338","7.6213","0.0016","8.0769","0.0017","21.418","0.005","81.029","0.004","86.922","0.004","65.085","0.004","1181","0.4","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","jonsc07","Tp'Ni(quinolinate)","","- C24 H28 B N7 Ni O -","- C24 H28 B N7 Ni O -","- C48 H56 B2 N14 Ni2 O2 -","2","1","","Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.","A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds","Organometallics","2015","34","21","5203","","10.1021/acs.organomet.5b00824","","","0.71073","MoKα","","0.0958","0.0565","","","0.1109","0.1264","","","","","","1.014","","","","has coordinates","170216","2020-10-21","18:00:00",""
"4086339","7.7453","0.0016","8.1364","0.0017","21.261","0.004","86.646","0.004","81.744","0.005","66.044","0.004","1211.7","0.4","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","jonsc10","Tp'Ni(4-Me-quinolinate)","","- C25 H30 B N7 Ni O -","- C25 H30 B N7 Ni O -","- C50 H60 B2 N14 Ni2 O2 -","2","1","","Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.","A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds","Organometallics","2015","34","21","5203","","10.1021/acs.organomet.5b00824","","","0.71073","MoKα","","0.079","0.0669","","","0.1686","0.175","","","","","","1.152","","","","has coordinates","170216","2020-10-21","18:00:00",""
"4086340","13.7931","0.001","13.2431","0.001","8.5001","0.0006","90","","102.716","0.0015","90","","1514.58","0.19","243","2","243","2","","","","","","","","8","P 1 c 1","P -2yc","7","jonsc23","Tp'Ni(4-CF3-quinolinate)","","- C26 H29 B Cl2 F3 N7 Ni O -","- C26 H29 B Cl2 F3 N7 Ni O -","- C52 H58 B2 Cl4 F6 N14 Ni2 O2 -","2","1","","Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.","A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds","Organometallics","2015","34","21","5203","","10.1021/acs.organomet.5b00824","","","0.71073","MoKα","","0.0992","0.0626","","","0.1677","0.1933","","","","","","1.052","","","","has coordinates","170216","2020-10-21","18:00:00",""
"4086341","14.0566","0.0017","14.3968","0.0018","16.366","0.002","75.264","0.003","84.636","0.003","83.551","0.003","3175.5","0.7","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","jonsc19","Tp'Ni(pyridinate)(pyridone)","","- C27.5 H30 B Cl F6 N8 Ni O2 -","- C27.5 H30 B Cl F6 N8 Ni O2 -","- C110 H120 B4 Cl4 F24 N32 Ni4 O8 -","4","2","","Chakraborty, Sumit; Piszel, Paige E.; Brennessel, William W.; Jones, William D.","A Single Nickel Catalyst for the Acceptorless Dehydrogenation of Alcohols and Hydrogenation of Carbonyl Compounds","Organometallics","2015","34","21","5203","","10.1021/acs.organomet.5b00824","","","0.71073","MoKα","","0.1108","0.0537","","","0.0944","0.1157","","","","","","0.987","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4087354","7.002","0.0004","12.7969","0.0006","14.5847","0.0006","105.088","0.004","93.362","0.004","100.703","0.004","1231.94","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H8 Co4 O12 -","- C21 H8 Co4 O12 -","- C42 H16 Co8 O24 -","2","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.0549","0.0315","","","0.0884","0.091","","","","","","1.08","","","","has coordinates","236754","2020-10-21","18:00:00",""
"4087355","13.6613","0.0005","10.2658","0.0003","25.3948","0.0009","90","","104.926","0.003","90","","3441.3","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Co4 O12 Si2 -","- C27 H24 Co4 O12 Si2 -","- C108 H96 Co16 O48 Si8 -","4","0.5","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.0236","0.0189","","","0.0455","0.0463","","","","","","0.987","","","","has coordinates","236754","2020-10-21","18:00:00",""
"4087356","6.6722","0.0003","13.6125","0.0006","11.3546","0.0005","90","","92.769","0.004","90","","1030.08","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H28 B20 -","- C9 H28 B20 -","- C18 H56 B40 -","2","0.5","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.0665","0.0562","","","0.1527","0.1615","","","","","","1.061","","","","has coordinates,has disorder","236754","2020-10-21","18:00:00",""
"4087357","9.5643","0.0014","21.986","0.007","31.851","0.005","90","","90","","90","","6698","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B20 I2 -","- C21 H34 B20 I2 -","- C168 H272 B160 I16 -","8","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.08","0.0381","","","0.0621","0.0663","","","","","","0.837","","","","has coordinates,has disorder","236754","2020-10-21","18:00:00",""
"4087358","6.1013","0.0006","10.232","0.0011","11.1625","0.0011","100.94","0.009","97.818","0.009","102.137","0.009","657.57","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 Cl2 -","- C15 H14 Cl2 -","- C30 H28 Cl4 -","2","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.0408","0.0305","","","0.076","0.0781","","","","","","0.977","","","","has coordinates","236754","2020-10-21","18:00:00",""
"4087359","13.6452","0.0006","12.5","0.0005","15.9548","0.0007","90","","106.971","0.005","90","","2602.8","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 B20 -","- C15 H32 B20 -","- C60 H128 B80 -","4","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.0787","0.0474","","","0.1226","0.129","","","","","","0.918","","","","has coordinates,has disorder","236754","2020-10-21","18:00:00",""
"4087360","13.5929","0.0007","12.1552","0.0006","13.0873","0.0006","90","","99.742","0.001","90","","2131.16","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'C30 H20 Te'","","- C30 H20 Te -","- C30 H20 Te -","- C120 H80 Te4 -","4","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","Synthesis, Structures, and Temperature-Dependent Photoluminescence of 1,4-Diphenyl-1-telluro-1,3-butadiene Incorporated in a Dibenzobarrelene Skeleton and Derivatives","Organometallics","2015","34","7","1272","","10.1021/acs.organomet.5b00016","","","0.71073","MoKα","","0.0344","0.0299","","","0.0704","0.0726","","","","","","1.073","","","","has coordinates","236755","2020-10-21","18:00:00",""
"4087361","11.0309","0.0007","11.3923","0.0008","13.0052","0.0009","89.426","0.002","67.896","0.002","88.106","0.002","1513.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","'C30 H20 O Te, C2 H2 Cl6'","","- C32 H22 Cl6 O Te -","- C32 H22 Cl6 O Te -","- C64 H44 Cl12 O2 Te2 -","2","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","Synthesis, Structures, and Temperature-Dependent Photoluminescence of 1,4-Diphenyl-1-telluro-1,3-butadiene Incorporated in a Dibenzobarrelene Skeleton and Derivatives","Organometallics","2015","34","7","1272","","10.1021/acs.organomet.5b00016","","","0.71073","MoKα","","0.0555","0.0479","","","0.1148","0.1197","","","","","","1.055","","","","has coordinates","236755","2020-10-21","18:00:00",""
"4087362","11.194","0.003","11.441","0.003","12.905","0.004","107.857","0.006","105.349","0.006","95.338","0.006","1489.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'C30 H20 Br2 Te, C6 H8'","","- C37 H28 Br2 Te -","- C37 H28 Br2 Te -","- C74 H56 Br4 Te2 -","2","1","","Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko","Synthesis, Structures, and Temperature-Dependent Photoluminescence of 1,4-Diphenyl-1-telluro-1,3-butadiene Incorporated in a Dibenzobarrelene Skeleton and Derivatives","Organometallics","2015","34","7","1272","","10.1021/acs.organomet.5b00016","","","0.71073","MoKα","","0.0611","0.0476","","","0.1167","0.1282","","","","","","1.013","","","","has coordinates,has disorder","236755","2020-10-21","18:00:00",""
"4087363","10.3559","0.0013","18.157","0.003","30.97","0.005","90","","90","","90","","5823.4","1.5","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C121 H118 Cl10 P4 Ru4 Si4 -","- C121 H118 Cl10 P4 Ru4 Si4 -","- C242 H236 Cl20 P8 Ru8 Si8 -","2","0.5","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0969","0.0616","","","0.1435","0.1537","","","","","","1.009","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087364","10.4144","0.0008","9.7734","0.0007","13.5146","0.0011","90","","109.075","0.004","90","","1300.04","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H29 Cl2 P Ru Si -","- C28 H29 Cl2 P Ru Si -","- C56 H58 Cl4 P2 Ru2 Si2 -","2","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0605","0.0445","","","0.0926","0.1029","","","","","","1.036","","","","has coordinates","276352","2022-06-28","16:40:33",""
"4087365","22.0645","0.0013","22.0645","0.0013","11.2385","0.0007","90","","90","","120","","4738.4","0.5","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C25 H26 B P -","- C25 H26 B P -","- C225 H234 B9 P9 -","9","3","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.1091","0.0656","","","0.147","0.1687","","","","","","0.97","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087366","10.8413","0.0004","13.9779","0.0004","19.6142","0.0008","90","","90","","90","","2972.31","0.18","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 O3 P Ru -","- C33 H29 Cl2 O3 P Ru -","- C132 H116 Cl8 O12 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0941","0.0543","","","0.1211","0.1371","","","","","","1.046","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087367","12.904","0.002","6.7856","0.0008","17.535","0.003","90","","111.428","0.006","90","","1429.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl2 O2 P Ru -","- C33 H29 Cl2 O2 P Ru -","- C66 H58 Cl4 O4 P2 Ru2 -","2","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0775","0.0464","","","0.0628","0.0698","","","","","","0.987","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087368","11.7604","0.0009","13.4167","0.001","14.2493","0.0009","90","","90","","90","","2248.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl2 P Ru -","- C27 H25 Cl2 P Ru -","- C108 H100 Cl8 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.021","0.0194","","","0.0488","0.0495","","","","","","1.13","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087369","7.3413","0.0003","16.4175","0.0006","22.5377","0.0008","90","","90","","90","","2716.37","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl2 O3 P Ru -","- C31 H27 Cl2 O3 P Ru -","- C124 H108 Cl8 O12 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0303","0.0283","","","0.0654","0.0682","","","","","","1.118","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087370","10.5875","0.0015","18.049","0.003","13.8724","0.0014","90","","130.849","0.007","90","","2005.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F6 O3 P Ru -","- C17 H23 F6 O3 P Ru -","- C68 H92 F24 O12 P4 Ru4 -","4","1","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.0227","0.0224","","","0.0568","0.0571","","","","","","1.033","","","","has coordinates,has disorder","236758","2020-10-21","18:00:00",""
"4087371","10.3045","0.0013","12.262","0.0015","17.288","0.002","90","","95.673","0.002","90","","2173.7","0.5","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C17 H23 F2 N O7 Ru S2 -","- C17 H23 F2 N O7 Ru S2 -","- C68 H92 F8 N4 O28 Ru4 S8 -","4","2","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.0304","0.0301","","","0.077","0.0773","","","","","","1.05","","","","has coordinates","236758","2020-10-21","18:00:00",""
"4087372","29.936","0.008","10.558","0.002","21.067","0.005","90","","110.539","0.003","90","","6235","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 F6 O3 P Ru -","- C29 H47 F6 O3 P Ru -","- C232 H376 F48 O24 P8 Ru8 -","8","2","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.1014","0.0897","","","0.2137","0.224","","","","","","1.069","","","","has coordinates","287876","2023-11-30","07:26:55",""
"4087373","10.317","0.0014","10.1037","0.0014","48.423","0.007","90","","98.444","0.003","90","","4992.9","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H83 F6 O3 P Ru -","- C47 H83 F6 O3 P Ru -","- C188 H332 F24 O12 P4 Ru4 -","4","1","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.0547","0.0513","","","0.1308","0.1381","","","","","","1.188","","","","has coordinates,has disorder","236758","2020-10-21","18:00:00",""
"4087374","10.283","0.002","10.161","0.002","64.085","0.013","90","","97.965","0.003","90","","6631","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H119 F6 O3 P Ru -","- C65 H119 F6 O3 P Ru -","- C260 H476 F24 O12 P4 Ru4 -","4","1","","Ueda, Takahiro; Mochida, Tomoyuki","Thermal Properties and Crystal Structures of Ionic Liquids from Ruthenium Sandwich Complexes with Trialkoxybenzene Ligands: Effects of Substituent Positions and Alkyl Chain Lengths","Organometallics","2015","34","7","1279","","10.1021/acs.organomet.5b00021","","","0.71073","MoKα","","0.0631","0.0611","","","0.1516","0.1585","","","","","","1.361","","","","has coordinates,has disorder","236758","2020-10-21","18:00:00",""
"4087375","9.8325","0.0012","9.8559","0.0012","14.8535","0.0018","108.978","0.002","99.517","0.002","90.588","0.002","1339.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl F12 N O3 Ti -","- C24 H20 Cl F12 N O3 Ti -","- C48 H40 Cl2 F24 N2 O6 Ti2 -","2","1","","Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling","Organometallics","2015","34","6","1107","","10.1021/acs.organomet.5b00036","","","0.71073","MoKα","","0.0485","0.0372","","","0.0977","0.1026","","","","","","1.071","","","","has coordinates,has disorder","236760","2020-10-21","18:00:00",""
"4087376","11.4548","0.0004","12.7684","0.0005","12.8371","0.0005","99.534","0.001","92.205","0.001","91.952","0.001","1848.68","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H39 Cl2 F12 Hf N O5 -","- C32 H39 Cl2 F12 Hf N O5 -","- C64 H78 Cl4 F24 Hf2 N2 O10 -","2","1","","Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling","Organometallics","2015","34","6","1107","","10.1021/acs.organomet.5b00036","","","0.71073","MoKα","","0.0161","0.0149","","","0.0383","0.0387","","","","","","1.046","","","","has coordinates","236760","2020-10-21","18:00:00",""
"4087377","8.765","0.0007","11.8664","0.0009","13.684","0.0011","84.0275","0.0013","89.6253","0.0013","71.6678","0.0013","1343.18","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 N O3 Ti -","- C25.001 H23 F12.003 N O3 Ti -","- C50.002 H46 F24.006 N2 O6 Ti2 -","2","1","","Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling","Organometallics","2015","34","6","1107","","10.1021/acs.organomet.5b00036","","","0.71073","MoKα","","0.0654","0.046","","","0.115","0.1232","","","","","","1.054","","","","has coordinates,has disorder","236760","2020-10-21","18:00:00",""
"4087378","9.253","0.004","41.867","0.016","17.033","0.007","90","","94.549","0.007","90","","6578","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 F12 N O3 Ti -","- C33 H31 F12 N O3 Ti -","- C264 H248 F96 N8 O24 Ti8 -","8","2","","Nadif, Soufiane S.; Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of Group 4 Trianionic ONO3‒ Pincer-Type Ligand Complexes and a Rare Case of Through-Space 19F‒19F Coupling","Organometallics","2015","34","6","1107","","10.1021/acs.organomet.5b00036","","","0.71073","MoKα","","0.2014","0.0965","","","0.1566","0.1897","","","","","","0.958","","","","has coordinates,has disorder","236760","2020-10-21","18:00:00",""
"4087379","10.2095","0.0003","10.6323","0.0004","13.9049","0.0004","81.098","0.001","86.575","0.001","87.785","0.001","1487.88","0.08","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","[1,2-Bis(diphenylphosphino)ethane]palladium(II)diisobutyl","","- C34 H42 P2 Pd -","- C34 H42 P2 Pd -","- C68 H84 P4 Pd2 -","2","1","","Zhugralin, Adil R.; Kobylianskii, Ilia J.; Chen, Peter","Experimental Gas-Phase andin SilicoInvestigation of β-Methyl Elimination from Cationic Palladium Alkyl Species","Organometallics","2015","34","7","1301","","10.1021/acs.organomet.5b00043","","x-ray","0.71073","MoKα","","0.0299","0.0263","","","0.0626","0.0646","","","","","","1.041","","","","has coordinates","236761","2020-10-21","18:00:00",""
"4087380","12.2305","0.0009","18.8136","0.0015","17.2067","0.0013","90","","101.66","0.001","90","","3877.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Fe N2 O2 P -","- C47 H45 Fe N2 O2 P -","- C188 H180 Fe4 N8 O8 P4 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0526","0.034","","","0.0768","0.0841","","","","","","1.033","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087381","10.6833","0.0002","12.7822","0.0002","14.7987","0.0002","66.572","0.001","81.722","0.001","85.345","0.001","1834.3","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Co N2 P Si -","- C42 H48 Co N2 P Si -","- C84 H96 Co2 N4 P2 Si2 -","2","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","1.54178","CuKα","","0.0347","0.0317","","","0.0824","0.0844","","","","","","1.042","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087382","17.6022","0.0012","15.0951","0.0009","11.7866","0.0007","90","","106.798","0.005","90","","2998.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H44 Co N2 P -","- C33 H44 Co N2 P -","- C132 H176 Co4 N8 P4 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","1.54178","CuKα","","0.044","0.0405","","","0.0993","0.1023","","","","","","1.042","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087383","11.044","0.003","11.477","0.003","15.387","0.004","90","","90","","90","","1950.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Co N2 P -","- C21 H28 Co N2 P -","- C84 H112 Co4 N8 P4 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0293","0.0276","","","0.0708","0.0716","","","","","","1.056","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087384","23.275","0.002","23.275","0.002","37.719","0.004","90","","90","","120","","17696","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C40 H51 Co2 N4 P2 -","- C40 H51 Co2 N4 P2 -","- C720 H918 Co36 N72 P36 -","18","0.5","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0345","0.0296","","","0.0737","0.0761","","","","","","1.064","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087385","7.5748","0.0005","19.29","0.0012","21.3706","0.0013","90","","90","","90","","3122.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Fe O2 P3 -","- C36 H33 Fe O2 P3 -","- C144 H132 Fe4 O8 P12 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0255","0.0235","","","0.0561","0.0569","","","","","","1.042","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087386","14.5055","0.0004","33.6528","0.0009","10.8926","0.0003","90","","90","","90","","5317.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H105 B2 Co2 N2 P4 -","- C44 H105 B2 Co2 N2 P4 -","- C176 H420 B8 Co8 N8 P16 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","1.54178","CuKα","","0.1162","0.1031","","","0.2017","0.2116","","","","","","1.155","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087387","13.4324","0.0006","14.6205","0.0008","12.1455","0.0006","90","","93.81","0.002","90","","2380","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 N2 P4 Pd2 -","- C44 H76 N2 P4 Pd2 -","- C88 H152 N4 P8 Pd4 -","2","0.5","","Orbach, Meital; Shankar, Sreejith; Zenkina, Olena V.; Milko, Petr; Diskin-Posner, Yael; van der Boom, Milko E.","Generation of Mono- and Bimetallic Palladium Complexes and Mechanistic Insight into an Operative Metal Ring-Walking Process","Organometallics","2015","34","6","1098","","10.1021/acs.organomet.5b00051","","","0.71073","MoKα","","0.0391","0.0295","","","0.0727","0.0782","","","","","","1.047","","","","has coordinates","236764","2020-10-21","18:00:00",""
"4087388","9.0332","0.0003","11.0003","0.0004","14.6167","0.0005","79.223","0.002","77.307","0.002","75.198","0.002","1356.67","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H80 F4 N2 P4 Pd2 -","- C51 H80 F4 N2 P4 Pd2 -","- C51 H80 F4 N2 P4 Pd2 -","1","0.5","","Orbach, Meital; Shankar, Sreejith; Zenkina, Olena V.; Milko, Petr; Diskin-Posner, Yael; van der Boom, Milko E.","Generation of Mono- and Bimetallic Palladium Complexes and Mechanistic Insight into an Operative Metal Ring-Walking Process","Organometallics","2015","34","6","1098","","10.1021/acs.organomet.5b00051","","","0.71073","MoKα","","0.0356","0.0283","","","0.0646","0.0683","","","","","","1.028","","","","has coordinates,has disorder","236764","2020-10-21","18:00:00",""
"4087389","7.1864","0.0006","10.5284","0.0007","11.6465","0.0009","88.576","0.003","72.49","0.003","71.925","0.002","796.6","0.11","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C18 H50 N2 O2 Pb2 Si4 -","- C18 H50 N2 O2 Pb2 Si4 -","- C18 H50 N2 O2 Pb2 Si4 -","1","0.5","","Wang, Lingfang; Fadlallah, Sami; Bellini, Clément; Orione, Clément; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Structurally Characterized Lead(II) Alkoxides as Potent Ring-Opening Polymerization Catalysts","Organometallics","2015","34","7","1321","","10.1021/acs.organomet.5b00052","","x-ray","0.71073","MoKα","","0.0746","0.0639","","","0.1937","0.2069","","","","","","1.132","","","","has coordinates","236766","2020-10-21","18:00:00",""
"4087390","9.5057","0.0009","18.3563","0.0017","10.0028","0.0009","90","","106.783","0.004","90","","1671","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Li O3 Pb -","- C12 H27 Li O3 Pb -","- C48 H108 Li4 O12 Pb4 -","4","1","","Wang, Lingfang; Fadlallah, Sami; Bellini, Clément; Orione, Clément; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Structurally Characterized Lead(II) Alkoxides as Potent Ring-Opening Polymerization Catalysts","Organometallics","2015","34","7","1321","","10.1021/acs.organomet.5b00052","","x-ray","0.71073","MoKα","","0.0544","0.0387","","","0.0857","0.0916","","","","","","1.046","","","","has coordinates","236767","2020-10-21","18:00:00",""
"4087391","6.5242","0.0002","7.6555","0.0003","17.7464","0.0007","90","","99.534","0.002","90","","874.12","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 O2 Pb -","- C6 H14 O2 Pb -","- C24 H56 O8 Pb4 -","4","1","","Wang, Lingfang; Fadlallah, Sami; Bellini, Clément; Orione, Clément; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Structurally Characterized Lead(II) Alkoxides as Potent Ring-Opening Polymerization Catalysts","Organometallics","2015","34","7","1321","","10.1021/acs.organomet.5b00052","","x-ray","0.71073","MoKα","","0.0251","0.0172","","","0.0319","0.0338","","","","","","1.06","","","","has coordinates","236768","2020-10-21","18:00:00",""
"4087392","7.1032","0.0002","8.6182","0.0002","12.4141","0.0004","98.911","0.002","90.099","0.002","91.834","0.002","750.38","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C38 H40 N4 -","2","1","","Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo","Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2015","34","7","1354","","10.1021/acs.organomet.5b00053","","","0.71073","MoKα","","0.0544","0.0431","","","0.1154","0.1226","","","","","","1.07","","","","has coordinates","236770","2020-10-21","18:00:00",""
"4087393","20.9081","0.0003","18.6828","0.0003","18.2982","0.0003","90","","112.689","0.001","90","","6594.53","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H75 Hf2 N4 -","- C80 H75 Hf2 N4 -","- C320 H300 Hf8 N16 -","4","1","","Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo","Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2015","34","7","1354","","10.1021/acs.organomet.5b00053","","","0.71073","MoKα","","0.04","0.0262","","","0.0532","0.0574","","","","","","1.027","","","","has coordinates,has disorder","236770","2020-10-21","18:00:00",""
"4087394","13.9968","0.0002","14.0744","0.0002","26.3453","0.0005","91.548","0.001","96.073","0.001","101.186","0.001","5056.75","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H37 N5 Ti -","- C25 H37 N5 Ti -","- C200 H296 N40 Ti8 -","8","4","","Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo","Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2015","34","7","1354","","10.1021/acs.organomet.5b00053","","","0.71073","MoKα","","0.0401","0.0334","","","0.0906","0.0956","","","","","","1.05","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4087395","10.1358","0.0002","11.327","0.0003","11.8363","0.0003","69.349","0.001","75.133","0.001","80.565","0.001","1224.96","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cl3 N2 Ti -","- C25 H25 Cl3 N2 Ti -","- C50 H50 Cl6 N4 Ti2 -","2","1","","Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo","Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2015","34","7","1354","","10.1021/acs.organomet.5b00053","","","0.71073","MoKα","","0.0286","0.0251","","","0.0634","0.066","","","","","","1.045","","","","has coordinates","236770","2020-10-21","18:00:00",""
"4087396","11.7159","0.0002","12.8671","0.0002","14.0049","0.0002","104.054","0.0011","96.1202","0.0011","97.9432","0.0011","2006.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 Ti -","- C22 H28 N2 Ti -","- C88 H112 N8 Ti4 -","4","2","","Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo","Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity","Organometallics","2015","34","7","1354","","10.1021/acs.organomet.5b00053","","","0.71073","MoKα","","0.0597","0.0391","","","0.0933","0.1025","","","","","","1.029","","","","has coordinates","236770","2020-10-21","18:00:00",""
"4087397","8.854","0.001","14.84","0.002","18.005","0.002","90","","90","","90","","2365.7","0.5","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F3 N2 O2 P S -","- C21 H30 F3 N2 O2 P S -","- C84 H120 F12 N8 O8 P4 S4 -","4","1","","Boulens, Pierre; Pellier, Emmanuel; Jeanneau, Erwann; Reek, Joost N. H.; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Self-Assembled Organometallic Nickel Complexes as Catalysts for Selective Dimerization of Ethylene into 1-Butene","Organometallics","2015","34","7","1139","","10.1021/acs.organomet.5b00055","","x-ray","0.71073","MoKα","","0.0601","0.0434","","0.0803","0.0652","0.0803","","","","","","0.9875","","","","has coordinates","236771","2020-10-21","18:00:00",""
"4087398","10.811","0.002","18.315","0.002","18.962","0.003","90","","94.7","0.01","90","","3741.9","1","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 F3 N2 Ni O2 P2 S -","- C38 H45 F3 N2 Ni O2 P2 S -","- C152 H180 F12 N8 Ni4 O8 P8 S4 -","4","1","","Boulens, Pierre; Pellier, Emmanuel; Jeanneau, Erwann; Reek, Joost N. H.; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Self-Assembled Organometallic Nickel Complexes as Catalysts for Selective Dimerization of Ethylene into 1-Butene","Organometallics","2015","34","7","1139","","10.1021/acs.organomet.5b00055","","","1.5418","CuKα","","0.1438","0.0957","","0.2103","0.1764","0.2103","","","","","","1.0281","","","","has coordinates","236772","2020-10-21","18:00:00",""
"4087399","10.1525","0.0005","15.9444","0.0007","10.9061","0.0005","90","","110.67","0.005","90","","1651.79","0.14","150","","150","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H45 F3 N2 Ni O2 P2 S -","- C30 H45 F3 N2 Ni O2 P2 S -","- C60 H90 F6 N4 Ni2 O4 P4 S2 -","2","1","","Boulens, Pierre; Pellier, Emmanuel; Jeanneau, Erwann; Reek, Joost N. H.; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Self-Assembled Organometallic Nickel Complexes as Catalysts for Selective Dimerization of Ethylene into 1-Butene","Organometallics","2015","34","7","1139","","10.1021/acs.organomet.5b00055","","","0.7107","MoKα","","0.0835","0.0695","","0.1157","0.1057","0.1157","","","","","","0.9904","","","","has coordinates","236774","2020-10-21","18:00:00",""
"4087400","13.492","0.003","15.653","0.003","19.514","0.004","109.69","0.03","92.03","0.03","91.21","0.03","3875.4","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H104 Ca4 O13 -","- C88 H104 Ca4 O13 -","- C176 H208 Ca8 O26 -","2","1","","Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis, Structural Characterization, and Reactivity of a Fluorene-Based Calcium Oxycyclopentadienide Complex","Organometallics","2015","34","7","1339","","10.1021/acs.organomet.5b00059","","","0.71073","MoKα","","0.078","0.0662","","","0.1558","0.1629","","","","","","1.083","","","","has coordinates,has disorder","236775","2020-10-21","18:00:00",""
"4087401","8.5711","0.0005","11.9149","0.0004","12.8621","0.0006","79.408","0.003","75.046","0.004","78.587","0.004","1231.67","0.1","180.01","0.1","180.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 I O3 -","- C28 H28 I O3 -","- C56 H56 I2 O6 -","2","1","","Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis, Structural Characterization, and Reactivity of a Fluorene-Based Calcium Oxycyclopentadienide Complex","Organometallics","2015","34","7","1339","","10.1021/acs.organomet.5b00059","","","0.71073","MoKα","","0.0442","0.0367","","","0.0846","0.091","","","","","","1.063","","","","has coordinates","236775","2020-10-21","18:00:00",""
"4087402","10.5041","0.0003","13.5409","0.0004","18.8293","0.0006","102.658","0.003","105.091","0.003","105.866","0.003","2362.67","0.15","150","","150","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C47 H44 Cl4 F6 O3 P3 Ru -","- C47 H44 Cl4 F6 O3 P3 Ru -","- C94 H88 Cl8 F12 O6 P6 Ru2 -","2","1","","García de la Arada, Isaac; Díez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Nucleophilic Additions to Allenylidene Ruthenium Complexes","Organometallics","2015","34","7","1345","","10.1021/acs.organomet.5b00060","","","1.5418","CuKα","","0.094","0.0895","","","0.2504","0.2557","","","","","","1.057","","","","has coordinates","236777","2020-10-21","18:00:00",""
"4087403","10.477","0.0005","12.8432","0.0008","17.1646","0.0008","92.862","0.004","96.767","0.004","104.16","0.004","2216.4","0.2","151.8","0.2","151.8","0.2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C40 H52 Cl3 F6 O3 P3 Ru -","- C40 H52 Cl3 F6 O3 P3 Ru -","- C80 H104 Cl6 F12 O6 P6 Ru2 -","2","1","","García de la Arada, Isaac; Díez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Nucleophilic Additions to Allenylidene Ruthenium Complexes","Organometallics","2015","34","7","1345","","10.1021/acs.organomet.5b00060","","","1.54184","CuKα","","0.0526","0.0497","","","0.1372","0.1403","","","","","","1.096","","","","has coordinates","236777","2020-10-21","18:00:00",""
"4087404","9.93095","0.00014","16.6032","0.0004","17.909","0.0004","83.4035","0.0018","75.2194","0.0016","89.9091","0.0015","2835.14","0.1","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 Ga N2 -","- C30 H47 Ga N2 -","- C120 H188 Ga4 N8 -","4","2","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0711","0.034","","","0.0829","0.094","","","","","","0.802","","","","has coordinates","236778","2020-10-21","18:00:00",""
"4087405","10.80578","0.00017","16.9075","0.0003","17.92","0.0002","90","","90","","90","","3273.96","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Ga N2 O3 -","- C32 H49 Ga N2 O3 -","- C128 H196 Ga4 N8 O12 -","4","1","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0334","0.0292","","","0.0646","0.0665","","","","","","1.027","","","","has coordinates","236780","2020-10-21","18:00:00",""
"4087406","14.30884","0.00015","12.19363","0.00014","14.5121","0.00017","90","","90","","90","","2532.02","0.05","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H39 Ga N2 O2 -","- C26 H39 Ga N2 O2 -","- C104 H156 Ga4 N8 O8 -","4","1","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0239","0.0218","","","0.0528","0.054","","","","","","1.047","","","","has coordinates","236781","2020-10-21","18:00:00",""
"4087407","22.9304","0.0003","12.19709","0.00014","8.07487","0.00008","90","","90","","90","","2258.41","0.05","100","0.2","100","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Ga N2 -","- C24 H33 Ga N2 -","- C96 H132 Ga4 N8 -","4","0.5","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0226","0.022","","","0.0566","0.0569","","","","","","1.087","","","","has coordinates,has disorder","236783","2020-10-21","18:00:00",""
"4087408","22.7302","0.0012","7.994","0.002","13.738","0.004","90","","90","","90","","2496.3","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H41 Cl Co N2 P2 -","- C22 H41 Cl Co N2 P2 -","- C88 H164 Cl4 Co4 N8 P8 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0616","0.0359","","","0.0349","0.0373","","","","1.4","1.4","1.28","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087409","7.8255","0.0013","8.5372","0.0015","17.914","0.003","87.162","0.003","81.981","0.003","80.16","0.003","1167.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H41 B Co N2 P2 -","- C20 H41 B Co N2 P2 -","- C40 H82 B2 Co2 N4 P4 -","2","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","","0.71073","MoKα","","0.05","0.0385","","","0.0829","0.0866","","","","","","1.127","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087410","22.7682","0.0005","8.0685","0.0008","13.9631","0.0015","90","","90","","90","","2565.1","0.4","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H45 B Co N2 P2 -","- C22 H45 B Co N2 P2 -","- C88 H180 B4 Co4 N8 P8 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0438","0.0342","","","0.0425","0.0443","","","","1.24","1.24","1.19","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087411","8.1142","0.0012","17.466","0.003","18.659","0.003","80.991","0.004","84.592","0.004","84.341","0.004","2590.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H41 B D3 N2 Ni P2 -","- C23 H41 B D3 N2 Ni P2 -","- C92 H164 B4 D12 N8 Ni4 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.1087","0.0524","","","0.0482","0.0528","","","","1.93","1.93","1.63","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087412","42.645","0.003","8.0359","0.0005","34.288","0.002","90","","128.157","0.002","90","","9239.4","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 N2 Ni P2 -","- C20 H38 N2 Ni P2 -","- C320 H608 N32 Ni16 P32 -","16","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0617","0.0564","","","0.0626","0.063","","","","3.69","3.69","3.56","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087413","14.7792","0.0002","11.4141","0.0001","14.793","0.0002","90","","105.686","0.0006","90","","2402.52","0.05","190","","190","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C21 H38 N2 Ni O2 P2 -","- C21 H38 N2 Ni O2 P2 -","- C84 H152 N8 Ni4 O8 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Weil, Matthias; Veiros, Luis F.; Kirchner, Karl","Synthesis, Structure, and Reactivity of Co(II) and Ni(II) PCP Pincer Borohydride Complexes.","Organometallics","2015","34","7","1364","1372","10.1021/acs.organomet.5b00075","","x-ray","0.71073","MoKα","","0.0385","0.0323","","","0.0329","0.0335","","","","1.48","1.48","1.36","","","","has coordinates","236785","2020-10-21","18:00:00",""
"4087414","7.8079","0.0005","16.5318","0.001","10.5919","0.0007","90","","91.8926","0.0018","90","","1366.44","0.15","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Au O4 P S -","- C30 H26 Au O4 P S -","- C60 H52 Au2 O8 P2 S2 -","2","1","","Kuniyasu, Hitoshi; Nakajima, Takuya; Tamaki, Takashi; Iwasaki, Takanori; Kambe, Nobuaki","Regioselective Cis Insertion of DMAD into Au‒P Bonds: Effect of Auxiliary Ligands on the Reaction Mechanism","Organometallics","2015","34","7","1373","","10.1021/acs.organomet.5b00078","","","0.71075","MoKα","","","0.0721","","","","0.167","","","","","","1.125","","","","has coordinates","236786","2020-10-21","18:00:00",""
"4087415","16.0041","0.0011","7.8212","0.0004","19.7043","0.0014","90","","111.459","0.003","90","","2295.4","0.3","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Au Cl O4 P -","- C24 H21 Au Cl O4 P -","- C96 H84 Au4 Cl4 O16 P4 -","4","1","","Kuniyasu, Hitoshi; Nakajima, Takuya; Tamaki, Takashi; Iwasaki, Takanori; Kambe, Nobuaki","Regioselective Cis Insertion of DMAD into Au‒P Bonds: Effect of Auxiliary Ligands on the Reaction Mechanism","Organometallics","2015","34","7","1373","","10.1021/acs.organomet.5b00078","","","0.71075","MoKα","","","0.0862","","","","0.2795","","","","","","1.103","","","","has coordinates","236788","2020-10-21","18:00:00",""
"4087416","8.624","0.0004","12.4051","0.0006","10.7526","0.0006","90","","97.865","0.001","90","","1139.51","0.1","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H28 Fe N2 O4 Sn -","- C21 H28 Fe N2 O4 Sn -","- C42 H56 Fe2 N4 O8 Sn2 -","2","0.5","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0199","0.0192","","","0.0492","0.0496","","","","","","1.061","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087417","8.427","0.003","12.448","0.005","10.577","0.004","90","","96.899","0.007","90","","1101.5","0.7","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H28 Fe N2 O4 Si -","- C21 H28 Fe N2 O4 Si -","- C42 H56 Fe2 N4 O8 Si2 -","2","0.5","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0346","0.0314","","","0.0821","0.0843","","","","","","1.065","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087418","10.3353","0.0013","12.4505","0.0015","18.766","0.002","90","","90","","90","","2414.8","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Fe N2 O4 Si -","- C23 H32 Fe N2 O4 Si -","- C92 H128 Fe4 N8 O16 Si4 -","4","1","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0257","0.0248","","","0.0624","0.0628","","","","","","1.043","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087419","14.407","0.011","11.879","0.009","11.365","0.008","90","","106.653","0.014","90","","1863","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Fe N2 O4 -","- C19 H22 Fe N2 O4 -","- C76 H88 Fe4 N8 O16 -","4","1","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0697","0.0407","","","0.0958","0.1121","","","","","","1.046","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087420","14.228","0.004","9.874","0.003","16.338","0.004","90","","110.87","0.004","90","","2144.7","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C96 H96 Fe4 N8 O16 -","4","1","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.048","0.0431","","","0.0988","0.1016","","","","","","1.125","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087421","13.8536","0.0013","19.1334","0.0018","36.581","0.003","83.764","0.002","88.421","0.002","88.726","0.002","9633.6","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H20 F24 Hg3 -","- C52 H20 F24 Hg3 -","- C416 H160 F192 Hg24 -","8","4","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Mercury-Containing Anticrowns. Complexation of Perfluoro-o,o′-biphenylenemercury with o-Xylene and Acetonitrile and the First X-ray Diffraction Evidence for Its Trimeric Structure","Organometallics","2015","34","8","1530","","10.1021/acs.organomet.5b00088","","","0.71073","MoKα","","0.0857","0.0516","","","0.1137","0.1272","","","","","","1.031","","","","has coordinates,has disorder","236790","2020-10-21","18:00:00",""
"4087422","11.8164","0.0006","18.3965","0.001","21.8605","0.0012","68.173","0.001","75.425","0.001","79.806","0.001","4251","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H9 F24 Hg3 N3 -","- C42 H9 F24 Hg3 N3 -","- C168 H36 F96 Hg12 N12 -","4","2","","Tugashov, Kirill I.; Gribanyov, Dmitry A.; Dolgushin, Fedor M.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Tikhonova, Irina A.; Shur, Vladimir B.","Coordination Chemistry of Mercury-Containing Anticrowns. Complexation of Perfluoro-o,o′-biphenylenemercury with o-Xylene and Acetonitrile and the First X-ray Diffraction Evidence for Its Trimeric Structure","Organometallics","2015","34","8","1530","","10.1021/acs.organomet.5b00088","","","0.71073","MoKα","","0.0631","0.0383","","","0.0779","0.0871","","","","","","1.002","","","","has coordinates","236790","2020-10-21","18:00:00",""
"4087423","10.4094","0.0016","14.9612","0.0017","15.071","0.002","84.994","0.012","89.915","0.015","87.592","0.008","2336.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 Br2 Fe N O3 P2 -","- C18 H31 Br2 Fe N O3 P2 -","- C72 H124 Br8 Fe4 N4 O12 P8 -","4","2","","Mazza, Simona; Scopelliti, Rosario; Hu, Xile","Chemoselective Hydrogenation and Transfer Hydrogenation of Aldehydes Catalyzed by Iron(II) PONOP Pincer Complexes","Organometallics","2015","34","8","1538","","10.1021/acs.organomet.5b00105","","","0.71073","MoKα","","0.1161","0.0846","","","0.215","0.2304","","","","","","1.149","","","","has coordinates","236791","2020-10-21","18:00:00",""
"4087424","16.7127","0.0004","8.45507","0.00019","16.637","0.0004","90","","102.458","0.002","90","","2295.57","0.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Br Fe N O3 P2 -","- C18 H32 Br Fe N O3 P2 -","- C72 H128 Br4 Fe4 N4 O12 P8 -","4","1","","Mazza, Simona; Scopelliti, Rosario; Hu, Xile","Chemoselective Hydrogenation and Transfer Hydrogenation of Aldehydes Catalyzed by Iron(II) PONOP Pincer Complexes","Organometallics","2015","34","8","1538","","10.1021/acs.organomet.5b00105","","","1.54178","CuKα","","0.0322","0.0314","","","0.0846","0.0854","","","","","","1.048","","","","has coordinates","236791","2020-10-21","18:00:00",""
"4087425","12.5538","0.0005","9.1895","0.0003","25.0608","0.0011","90","","98.165","0.004","90","","2861.8","0.2","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F3 Fe N2 O6 P2 S -","- C21 H35 F3 Fe N2 O6 P2 S -","- C84 H140 F12 Fe4 N8 O24 P8 S4 -","4","1","","Mazza, Simona; Scopelliti, Rosario; Hu, Xile","Chemoselective Hydrogenation and Transfer Hydrogenation of Aldehydes Catalyzed by Iron(II) PONOP Pincer Complexes","Organometallics","2015","34","8","1538","","10.1021/acs.organomet.5b00105","","","1.54178","CuKα","","0.0614","0.0573","","","0.1463","0.1507","","","","","","1.051","","","","has coordinates,has disorder","236791","2020-10-21","18:00:00",""
"4087426","13.1506","0.0002","10.1361","0.0001","41.1377","0.0006","90","","98.464","0.001","90","","5423.76","0.13","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H58 Ir2 N4 O2 -","- C68 H58 Ir2 N4 O2 -","- C272 H232 Ir8 N16 O8 -","4","1","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio","Synthesis, Characterization, and Properties of Doubly Alkynyl Bridging Dinuclear Cyclometalated Iridium(III) Complexes","Organometallics","2015","34","9","1766","","10.1021/acs.organomet.5b00111","","x-ray","0.71073","MoKα","","0.0596","0.0492","","","0.1115","0.1209","","","","","","0.937","","","","has coordinates","236792","2020-10-21","18:00:00",""
"4087427","10.3227","0.0004","11.3061","0.0008","12.6139","0.0009","71.462","0.003","77.313","0.004","71.342","0.004","1310.98","0.15","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H62 Ir2 N4 O2 Si2 -","- C60 H62 Ir2 N4 O2 Si2 -","- C60 H62 Ir2 N4 O2 Si2 -","1","0.5","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio","Synthesis, Characterization, and Properties of Doubly Alkynyl Bridging Dinuclear Cyclometalated Iridium(III) Complexes","Organometallics","2015","34","9","1766","","10.1021/acs.organomet.5b00111","","x-ray","0.71073","MoKα","","0.0475","0.0336","","","0.0672","0.0714","","","","","","1.006","","","","has coordinates","236792","2020-10-21","18:00:00",""
"4087428","8.7163","0.0004","9.9747","0.0005","13.0686","0.0006","86.16","0.002","89.497","0.002","85.358","0.003","1129.94","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","pms193","","","- C56 H50 Ir2 N4 -","- C49.5 H39 Cl3 Ir2 N6 -","- C49.5 H39 Cl3 Ir2 N6 -","1","0.5","","Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio","Synthesis, Characterization, and Properties of Doubly Alkynyl Bridging Dinuclear Cyclometalated Iridium(III) Complexes","Organometallics","2015","34","9","1766","","10.1021/acs.organomet.5b00111","","","0.71073","MoKα","","0.0341","0.0304","","","0.0785","0.0805","","","","","","1.073","","","","has coordinates","236792","2020-10-21","18:00:00",""
"4087429","11.2531","0.0014","16.578","0.002","17.768","0.002","90","","103.121","0.003","90","","3228.2","0.7","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 Co N4 O2 Si -","- C37 H36 Co N4 O2 Si -","- C148 H144 Co4 N16 O8 Si4 -","4","1","","Sun, Jian; Ou, Chong; Wang, Chao; Uchiyama, Masanobu; Deng, Liang","Silane-Functionalized N-Heterocyclic Carbene‒Cobalt Complexes Containing a Five-Coordinate Silicon with a Covalent Co‒Si Bond","Organometallics","2015","34","8","1546","","10.1021/acs.organomet.5b00114","","","0.71073","MoKα","","0.1387","0.0607","","","0.1279","0.1603","","","","","","0.985","","","","has coordinates","236793","2020-10-21","18:00:00",""
"4087430","13.17","0.002","17.763","0.003","16.1","0.003","90","","107.866","0.003","90","","3584.8","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Co N5 O3 Si -","- C42 H40 Co N5 O3 Si -","- C168 H160 Co4 N20 O12 Si4 -","4","1","","Sun, Jian; Ou, Chong; Wang, Chao; Uchiyama, Masanobu; Deng, Liang","Silane-Functionalized N-Heterocyclic Carbene‒Cobalt Complexes Containing a Five-Coordinate Silicon with a Covalent Co‒Si Bond","Organometallics","2015","34","8","1546","","10.1021/acs.organomet.5b00114","","","0.71073","MoKα","","0.1687","0.0698","","","0.1421","0.1898","","","","","","0.948","","","","has coordinates","236793","2020-10-21","18:00:00",""
"4087431","10.1445","0.0012","11.8118","0.0014","33.76","0.004","90","","95.961","0.002","90","","4023.4","0.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 Co N5 O3 Si -","- C43 H42 Co N5 O3 Si -","- C172 H168 Co4 N20 O12 Si4 -","4","1","","Sun, Jian; Ou, Chong; Wang, Chao; Uchiyama, Masanobu; Deng, Liang","Silane-Functionalized N-Heterocyclic Carbene‒Cobalt Complexes Containing a Five-Coordinate Silicon with a Covalent Co‒Si Bond","Organometallics","2015","34","8","1546","","10.1021/acs.organomet.5b00114","","","0.71073","MoKα","","0.0965","0.0593","","","0.1555","0.1731","","","","","","0.944","","","","has coordinates","236793","2020-10-21","18:00:00",""
"4087432","19.8141","0.0006","11.9789","0.0004","18.6461","0.0005","90","","92.086","0.002","90","","4422.7","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl2 F12 Fe3 P2 S6 -","- C30 H50 Cl2 F12 Fe3 P2 S6 -","- C120 H200 Cl8 F48 Fe12 P8 S24 -","4","1","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0705","0.0538","","","0.174","0.1902","","","","","","1.009","","","","has coordinates,has disorder","236794","2020-10-21","18:00:00",""
"4087433","9.5318","0.0006","13.0924","0.0008","14.0974","0.0009","90.778","0.001","98.47","0.001","95.992","0.001","1729.83","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H47 F6 Fe2 N P S3 -","- C29 H47 F6 Fe2 N P S3 -","- C58 H94 F12 Fe4 N2 P2 S6 -","2","1","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0806","0.0667","","","0.2317","0.2535","","","","","","1","","","","has coordinates","236795","2020-10-21","18:00:00",""
"4087434","18.018","0.009","20.18","0.01","15.868","0.008","90","","90","","90","","5770","5","298","2","298","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H38 F6 Fe2 P S3 -","- C24 H38 F6 Fe2 P S3 -","- C192 H304 F48 Fe16 P8 S24 -","8","1","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.075","0.0546","","","0.1691","0.1899","","","","","","1.045","","","","has coordinates,has disorder","236796","2020-10-21","18:00:00",""
"4087435","9.6207","0.0003","11.6529","0.0004","13.8094","0.0004","78.574","0.002","87.877","0.002","77.549","0.002","1481.76","0.08","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 F6 Fe2 O P S3 -","- C25 H38 F6 Fe2 O P S3 -","- C50 H76 F12 Fe4 O2 P2 S6 -","2","1","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0396","0.0349","","","0.12","0.1243","","","","","","1.042","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087437","14.6585","0.0018","23.813","0.003","20.489","0.003","90","","91.994","0.009","90","","7147.6","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 F12 Fe2 N P2 S3 -","- C26 H41 F12 Fe2 N P2 S3 -","- C208 H328 F96 Fe16 N8 P16 S24 -","8","2","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.1856","0.0837","","","0.1794","0.21","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087438","12.5309","0.0009","12.6212","0.0008","10.2845","0.0006","90","","90","","90","","1626.55","0.18","298","2","298","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C28 H46 Fe3 S6 -","- C28 H46 Fe3 S6 -","- C56 H92 Fe6 S12 -","2","0.5","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0407","0.0366","","","0.1061","0.1102","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087440","8.3064","0.0004","25.9577","0.0014","22.4648","0.0013","90","","91.214","0.004","90","","4842.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Fe S3 -","- C14 H23 Fe S3 -","- C168 H276 Fe12 S36 -","12","3","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.1214","0.069","","","0.1982","0.2247","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087441","8.7327","0.0007","14.0772","0.0009","15.9215","0.0011","90","","100.779","0.004","90","","1922.7","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H23 Cl2 Fe2 S3 -","- C14 H23 Cl2 Fe2 S3 -","- C56 H92 Cl8 Fe8 S12 -","4","2","","Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping","Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes","Organometallics","2015","34","9","1661","","10.1021/acs.organomet.5b00118","","","0.71073","MoKα","","0.0594","0.0487","","","0.1242","0.1332","","","","","","1","","","","has coordinates","236796","2020-10-21","18:00:00",""
"4087442","9.4806","0.0005","14.6862","0.0008","34.3657","0.0015","90","","90","","90","","4784.9","0.4","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H55 Cl O2 P2 Pd -","- C55 H55 Cl O2 P2 Pd -","- C220 H220 Cl4 O8 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.1211","0.0759","","","0.1699","0.1911","","","","","","1.009","","","","has coordinates,has disorder","236797","2020-10-21","18:00:00",""
"4087443","10.4056","0.0004","10.847","0.0005","35.2683","0.0014","90","","90","","90","","3980.7","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 Cl Ni O8 P2 -","- C42 H39 Cl Ni O8 P2 -","- C168 H156 Cl4 Ni4 O32 P8 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0595","0.0408","","","0.0744","0.0819","","","","","","1.016","","","","has coordinates","236798","2020-10-21","18:00:00",""
"4087444","10.4536","0.0004","17.2754","0.0006","24.473","0.0009","90","","90","","90","","4419.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pd -","- C43 H41 Cl3 O8 P2 Pd -","- C172 H164 Cl12 O32 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0605","0.0415","","","0.0776","0.088","","","","","","1.013","","","","has coordinates,has disorder","236799","2020-10-21","18:00:00",""
"4087445","13.4441","0.0002","13.4441","0.0002","49.8415","0.001","90","","90","","120","","7801.6","0.2","103","2","103","2","","","","","","","","6","P 65","P 65","170","","","","- C56 H59 I O4 P2 Pd -","- C56 H59 I O4 P2 Pd -","- C336 H354 I6 O24 P12 Pd6 -","6","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0274","0.0259","","","0.0547","0.0553","","","","","","1.07","","","","has coordinates,has disorder","236800","2020-10-21","18:00:00",""
"4087446","10.4318","0.001","17.092","0.002","24.423","0.003","90","","90","","90","","4354.6","0.8","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pt -","- C43 H41 Cl3 O8 P2 Pt -","- C172 H164 Cl12 O32 P8 Pt4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0614","0.0437","","","0.0735","0.0792","","","","","","0.974","","","","has coordinates,has disorder","236801","2020-10-21","18:00:00",""
"4087447","9.3721","0.0008","16.0243","0.0014","20.1099","0.0018","90","","92.12","0.003","90","","3018.1","0.5","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H37 N2 O4 P Pd -","- C34 H37 N2 O4 P Pd -","- C136 H148 N8 O16 P4 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0911","0.0618","","","0.1349","0.1719","","","","","","1.042","","","","has coordinates","236802","2020-10-21","18:00:00",""
"4087448","10.0983","0.0003","19.6982","0.0005","14.5659","0.0004","90","","103.688","0.0012","90","","2815.13","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H56 Cl O8.5 P2 Pd -","- C66 H56 Cl O8.5 P2 Pd -","- C132 H112 Cl2 O17 P4 Pd2 -","2","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0501","0.0399","","","0.0748","0.0797","","","","","","1.015","","","","has coordinates","236803","2020-10-21","18:00:00",""
"4087449","17.9347","0.0017","9.6113","0.0008","23.039","0.002","90","","91.492","0.004","90","","3970","0.6","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H38 Cl F O2 P2 Pd -","- C48 H38 Cl F O2 P2 Pd -","- C192 H152 Cl4 F4 O8 P8 Pd4 -","4","2","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0488","0.0366","","","0.0736","0.0802","","","","","","1.032","","","","has coordinates","236804","2020-10-21","18:00:00",""
"4087450","8.3131","0.0003","13.1688","0.0004","11.7048","0.0004","90","","97.305","0.002","90","","1270.97","0.07","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N3 O2 -","- C14 H10 F3 N3 O2 -","- C56 H40 F12 N12 O8 -","4","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0774","0.0442","","","0.0994","0.1159","","","","","","1.012","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087451","4.5169","0.0003","13.2863","0.001","15.8699","0.0012","90","","90","","90","","952.4","0.12","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 F3 N2 Se -","- C9 H7 F3 N2 Se -","- C36 H28 F12 N8 Se4 -","4","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0417","0.0334","","","0.0722","0.0757","","","","","","1.058","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087452","9.4982","0.0012","11.3358","0.0015","10.7511","0.0014","90","","93.8771","0.0018","90","","1154.9","0.3","99","2","99.35","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 F3 N2 Se -","- C11 H11 F3 N2 Se -","- C44 H44 F12 N8 Se4 -","4","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0363","0.0234","","","0.0494","0.0531","","","","","","1.047","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087453","8.5651","0.0006","17.4019","0.0011","34.669","0.002","90","","90","","90","","5167.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F3 N2 Se -","- C14 H9 F3 N2 Se -","- C224 H144 F48 N32 Se16 -","16","2","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0859","0.0437","","","0.074","0.088","","","","","","1.025","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087454","8.9758","0.0006","15.1265","0.001","9.9666","0.0007","90","","95.2323","0.0011","90","","1347.55","0.16","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 F3 N3 O2 Se -","- C14 H8 F3 N3 O2 Se -","- C56 H32 F12 N12 O8 Se4 -","4","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0363","0.0301","","","0.0662","0.0691","","","","","","1.082","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087455","12.4828","0.0016","12.8503","0.0016","14.267","0.0018","85.932","0.003","79.201","0.002","78.825","0.002","2204","0.5","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F6 N2 Se -","- C15 H8 F6 N2 Se -","- C90 H48 F36 N12 Se6 -","6","3","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0898","0.0632","","","0.1526","0.1703","","","","","","1.037","","","","has coordinates,has disorder","236806","2020-10-21","18:00:00",""
"4087456","23.441","0.007","4.4531","0.0012","25.419","0.007","90","","95.568","0.006","90","","2640.8","1.3","99","2","99","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N3 Se -","- C13 H7 F4 N3 Se -","- C104 H56 F32 N24 Se8 -","8","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.1297","0.0839","","","0.1712","0.1853","","","","","","1.105","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087457","12.4563","0.001","20.0842","0.0017","18.696","0.002","90","","94.19","0.0011","90","","4664.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl3 F3 N2 Rh -","- C23 H23 Cl3 F3 N2 Rh -","- C184 H184 Cl24 F24 N16 Rh8 -","8","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0359","0.0318","","","0.079","0.0813","","","","","","1.044","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087458","9.03","0.0015","6.5561","0.0011","9.5756","0.0016","90","","108.303","0.002","90","","538.21","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H7 Au Cl F3 N2 -","- C9 H7 Au Cl F3 N2 -","- C18 H14 Au2 Cl2 F6 N4 -","2","0.5","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0337","0.0264","","","0.0545","0.0566","","","","","","1","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087459","11.5192","0.0006","17.6108","0.0008","16.6383","0.001","90","","102.849","0.003","90","","3290.8","0.3","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 B7 Co P2 -","- C35 H38 B7 Co P2 -","- C140 H152 B28 Co4 P8 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.058","0.0346","","","0.0719","0.0801","","","","","","1.012","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087460","11.6572","0.0009","18.1448","0.0013","15.8603","0.0012","90","","92.054","0.004","90","","3352.6","0.4","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 B7 P2 Rh -","- C35 H38 B7 P2 Rh -","- C140 H152 B28 P8 Rh4 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0365","0.0291","","","0.0657","0.0718","","","","","","1.078","","","","has coordinates,has disorder","236808","2020-10-21","18:00:00",""
"4087461","9.7645","0.0007","9.792","0.0007","18.994","0.0015","101.746","0.004","93.362","0.005","96.229","0.003","1761.5","0.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H78 B14 Cl2 Ir2 O2 P4 -","- C73 H78 B14 Cl2 Ir2 O2 P4 -","- C73 H78 B14 Cl2 Ir2 O2 P4 -","1","0.5","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0587","0.0542","","","0.149","0.1528","","","","","","1.201","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087462","16.5192","0.0019","12.4153","0.0015","19.305","0.002","90","","111.525","0.006","90","","3683.1","0.7","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 B7 Rh -","- C17 H26 B7 Rh -","- C136 H208 B56 Rh8 -","8","2","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.038","0.0291","","","0.0692","0.0725","","","","","","0.999","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087463","6.6522","0.001","12.267","0.002","13.771","0.002","115.26","0.006","93.055","0.007","93.212","0.007","1011","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 B7 Ir -","- C17 H26 B7 Ir -","- C34 H52 B14 Ir2 -","2","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0165","0.0158","","","0.0386","0.0392","","","","","","1.246","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087464","10.1503","0.0003","17.9661","0.0005","16.5896","0.0005","90","","102.937","0.002","90","","2948.51","0.15","100","1","100","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B7 Co N3 -","- C24 H41 B7 Co N3 -","- C96 H164 B28 Co4 N12 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0287","0.0245","","","0.0541","0.0562","","","","","","0.911","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087465","10.8239","0.0002","19.4299","0.0004","14.8809","0.0003","90","","92.985","0.001","90","","3125.32","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 B7 Ir N3 -","- C24 H41 B7 Ir N3 -","- C96 H164 B28 Ir4 N12 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0192","0.0174","","","0.0414","0.0423","","","","","","1.121","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087466","10.5125","0.0005","20.7768","0.0009","10.5997","0.0005","90","","90.414","0.002","90","","2315.08","0.18","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B7 Ir N -","- C22 H35 B7 Ir N -","- C88 H140 B28 Ir4 N4 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0459","0.0451","","","0.0966","0.097","","","","","","1.124","","","","has coordinates,has disorder","236808","2020-10-21","18:00:00",""
"4087467","7.0025","0.0008","33.184","0.004","8.5261","0.0009","90","","107.089","0.005","90","","1893.7","0.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 B7 Co -","- C17 H26 B7 Co -","- C68 H104 B28 Co4 -","4","1","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0417","0.0402","","","0.09","0.0906","","","","","","1.332","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087468","9.9269","0.0007","14.9468","0.0011","25.482","0.002","107.029","0.004","95.462","0.006","91.425","0.004","3593.2","0.5","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 B6 Ir -","- C17 H25 B6 Ir -","- C136 H200 B48 Ir8 -","8","4","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0749","0.056","","","0.1114","0.1203","","","","","","1.052","","","","has coordinates,has disorder","236808","2020-10-21","18:00:00",""
"4087469","9.7484","0.0005","17.0714","0.0009","15.9074","0.0008","90","","104.075","0.002","90","","2567.8","0.2","100","1","100","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H34 B7 I Ir N -","- C22 H34 B7 I Ir N -","- C88 H136 B28 I4 Ir4 N4 -","4","2","","Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes","Organometallics","2015","34","7","1396","","10.1021/acs.organomet.5b00141","","","0.71073","MoKα","","0.0243","0.0236","","","0.062","0.0626","","","","","","1.044","","","","has coordinates","236808","2020-10-21","18:00:00",""
"4087470","10.312","0.003","10.438","0.003","10.753","0.003","96.53","0.02","93.75","0.02","112.64","0.02","1053.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 Mg2 N2 O2 -","- C48 H66 Mg2 N2 O2 -","- C48 H66 Mg2 N2 O2 -","1","0.5","","Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr","Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates","Organometallics","2015","34","20","4871","","10.1021/acs.organomet.5b00146","","","0.71073","MoKα","","0.1003","0.0491","","","0.0894","0.1041","","","","","","0.96","","","","has coordinates","236810","2020-10-21","18:00:00",""
"4087471","8.447","0.003","11.022","0.004","21.977","0.005","90","","98.16","0.03","90","","2025.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 Mg2 N2 O4 -","- C42 H70 Mg2 N2 O4 -","- C84 H140 Mg4 N4 O8 -","2","0.5","","Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr","Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates","Organometallics","2015","34","20","4871","","10.1021/acs.organomet.5b00146","","","0.71073","MoKα","","0.1386","0.0599","","","0.1314","0.1691","","","","","","0.865","","","","has coordinates","236810","2020-10-21","18:00:00",""
"4087472","11.555","0.003","12.069","0.003","14.059","0.004","82.1","0.02","76.22","0.02","71.95","0.02","1806.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 Cl4 Mg2 N4 O6 -","- C76 H104 Cl4 Mg2 N4 O6 -","- C76 H104 Cl4 Mg2 N4 O6 -","1","0.5","","Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr","Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates","Organometallics","2015","34","20","4871","","10.1021/acs.organomet.5b00146","","","0.71073","MoKα","","0.2404","0.0882","","","0.1631","0.2458","","","","","","1","","","","has coordinates","236810","2020-10-21","18:00:00",""
"4087473","13.79","0.004","18.241","0.003","33.719","0.007","90","","90","","90","","8482","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C94 H112 Mg2 N4 O4 -","- C94 H112 Mg2 N4 O4 -","- C376 H448 Mg8 N16 O16 -","4","0.5","","Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr","Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates","Organometallics","2015","34","20","4871","","10.1021/acs.organomet.5b00146","","","0.71073","MoKα","","0.1268","0.0571","","","0.1269","0.1444","","","","","","0.926","","","","has coordinates","236810","2020-10-21","18:00:00",""
"4087474","12.3156","0.0017","4.917","0.002","18.676","0.003","90","","108.731","0.012","90","","1071","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 N2 -","- C26 H18 Br2 N2 -","- C52 H36 Br4 N4 -","2","0.5","","Wang, Xiaorong; Kenny, Tommy; Fortin, Daniel; Aly, Shawkat M.; Brisard, Gessie; Harvey, Pierre D.","Profound Substituent Effect on the Structural, Optical, Photophysical, and Electrochemical Properties of N,N′-Anthraquinone Diimine-Containing Platinum‒Organometallic Polymers","Organometallics","2015","34","8","1567","","10.1021/acs.organomet.5b00154","","","1.54176","CuKα","","0.1059","0.0674","","","0.1969","0.2236","","","","","","1.038","","","","has coordinates","236812","2020-10-21","18:00:00",""
"4087475","9.59","0.002","4.976","0.004","23.747","0.011","90","","90.63","0.03","90","","1133.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br3 N2 -","- C26 H16 Br3 N2 -","- C52 H32 Br6 N4 -","2","0.5","","Wang, Xiaorong; Kenny, Tommy; Fortin, Daniel; Aly, Shawkat M.; Brisard, Gessie; Harvey, Pierre D.","Profound Substituent Effect on the Structural, Optical, Photophysical, and Electrochemical Properties of N,N′-Anthraquinone Diimine-Containing Platinum‒Organometallic Polymers","Organometallics","2015","34","8","1567","","10.1021/acs.organomet.5b00154","","","1.54176","CuKα","","0.2105","0.1019","","","0.2466","0.29","","","","","","1.039","","","","has coordinates","236813","2020-10-21","18:00:00",""
"4087476","10.3498","0.0019","23.764","0.005","13.857","0.003","90","","107.422","0.004","90","","3251.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 N O4 W -","- C33 H53 N O4 W -","- C132 H212 N4 O16 W4 -","4","1","","VenkatRamani, Sudarsan; Huff, Nicholas B.; Jan, Muhammad Tariq; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","New Alkylidyne Complexes Featuring a Flexible Trianionic ONO3‒ Pincer-Type Ligand: Inorganic Enamine Effect versus Sterics in Electrophilic Additions","Organometallics","2015","34","12","2841","","10.1021/acs.organomet.5b00155","","","0.71073","MoKα","","0.0207","0.0182","","","0.0429","0.0439","","","","","","1.031","","","","has coordinates,has disorder","236815","2020-10-21","18:00:00",""
"4087477","10.8745","0.0012","12.9169","0.0015","13.8354","0.0016","78.853","0.002","73.705","0.002","73.025","0.002","1770.9","0.4","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H57 N O4 W -","- C35 H57 N O4 W -","- C70 H114 N2 O8 W2 -","2","1","","VenkatRamani, Sudarsan; Huff, Nicholas B.; Jan, Muhammad Tariq; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","New Alkylidyne Complexes Featuring a Flexible Trianionic ONO3‒ Pincer-Type Ligand: Inorganic Enamine Effect versus Sterics in Electrophilic Additions","Organometallics","2015","34","12","2841","","10.1021/acs.organomet.5b00155","","","0.71073","MoKα","","0.0199","0.0178","","","0.0461","0.0467","","","","","","1.08","","","","has coordinates,has disorder","236815","2020-10-21","18:00:00",""
"4087478","35.692","0.003","14.3559","0.0011","20.764","0.0015","90","","90","","90","","10639.3","1.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C59 H73 N O3 P W -","- C59 H73 N O3 P W -","- C472 H584 N8 O24 P8 W8 -","8","1","","VenkatRamani, Sudarsan; Huff, Nicholas B.; Jan, Muhammad Tariq; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","New Alkylidyne Complexes Featuring a Flexible Trianionic ONO3‒ Pincer-Type Ligand: Inorganic Enamine Effect versus Sterics in Electrophilic Additions","Organometallics","2015","34","12","2841","","10.1021/acs.organomet.5b00155","","","0.71073","MoKα","","0.1053","0.0361","","","0.0551","0.0649","","","","","","0.84","","","","has coordinates,has disorder","236815","2020-10-21","18:00:00",""
"4087479","7.9185","0.0003","13.1681","0.0004","15.0138","0.0005","90","","90","","90","","1565.51","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,4-η^6^-Diiodobenzene)(η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate","","- C11 H9 F6 I2 P Ru -","- C11 H9 F6 I2 P Ru -","- C44 H36 F24 I8 P4 Ru4 -","4","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0231","0.0228","","","0.0571","0.0572","","","","","","1.138","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087480","7.481","0.0009","16.883","0.002","13.0316","0.0016","90","","105.779","0.003","90","","1583.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(η^6^-1,3,5-Triiodobenzene)(η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate","","- C11 H8 B F4 I3 Ru -","- C11 H8 B F4 I3 Ru -","- C44 H32 B4 F16 I12 Ru4 -","4","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0319","0.0316","","","0.0806","0.0808","","","","","","1.074","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087481","18.7608","0.0009","48.464","0.002","9.2144","0.0004","90","","90","","90","","8377.9","0.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","(Ferrocenylethindiyl-η^6^-benzene)(η^5^-cyclopentadienyl) ruthenium(II) hexafluoridophosphate","","- C23 H19 F6 Fe P Ru -","- C23 H19 F6 Fe P Ru -","- C368 H304 F96 Fe16 P16 Ru16 -","16","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0296","0.0289","","","0.0678","0.068","","","","","","1.092","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087482","11.627","0.0003","12.2072","0.0004","16.9848","0.0005","70.777","0.001","88.675","0.001","69.777","0.001","2124.75","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(1,3,5-Tris(ferrocenylethindiyl)-η^6^-benzene) (η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate","","- C50 H41 F6 Fe3 O P Ru -","- C50 H41 F6 Fe3 O P Ru -","- C100 H82 F12 Fe6 O2 P2 Ru2 -","2","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0598","0.0403","","","0.0884","0.0984","","","","","","1.033","","","","has coordinates,has disorder","236816","2020-10-21","18:00:00",""
"4087483","9.2114","0.0001","17.9254","0.0002","18.2075","0.0002","90","","96.315","0.001","90","","2988.14","0.06","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 B F4 Mo2 O P -","- C31 H40 B F4 Mo2 O P -","- C124 H160 B4 F16 Mo8 O4 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Carbyne‒Carbyne Coupling and H-Shifts in Reactions of the Unsaturated Methoxy- and Hydroxycarbyne Complexes [Mo2Cp2(μ-COR)(μ-CPh)(μ-PCy2)]+ with CO and Isocyanides","Organometallics","2015","34","9","1681","","10.1021/acs.organomet.5b00166","","x-ray","1.54184","CuKα","","0.0377","0.0259","","","0.058","0.0623","","","","","","0.954","","","","has coordinates","236818","2020-10-21","18:00:00",""
"4087484","11.3563","0.0003","13.2911","0.0003","14.1758","0.0003","63.769","0.001","82.352","0.001","74.424","0.001","1848.58","0.08","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C39 H46 B F4 Mo2 O3 P -","- C39 H46 B F4 Mo2 O3 P -","- C78 H92 B2 F8 Mo4 O6 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Carbyne‒Carbyne Coupling and H-Shifts in Reactions of the Unsaturated Methoxy- and Hydroxycarbyne Complexes [Mo2Cp2(μ-COR)(μ-CPh)(μ-PCy2)]+ with CO and Isocyanides","Organometallics","2015","34","9","1681","","10.1021/acs.organomet.5b00166","","x-ray","0.71073","MoKα","","0.05","0.0399","","","0.117","0.1472","","","","","","1.211","","","","has coordinates","236818","2020-10-21","18:00:00",""
"4087485","39.739","0.003","12.1958","0.0012","19.7064","0.0018","90","","113.273","0.004","90","","8773.6","1.4","100","0.1","100","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H65 B F4 Mo2 N3 P -","- C44 H65 B F4 Mo2 N3 P -","- C352 H520 B8 F32 Mo16 N24 P8 -","8","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Carbyne‒Carbyne Coupling and H-Shifts in Reactions of the Unsaturated Methoxy- and Hydroxycarbyne Complexes [Mo2Cp2(μ-COR)(μ-CPh)(μ-PCy2)]+ with CO and Isocyanides","Organometallics","2015","34","9","1681","","10.1021/acs.organomet.5b00166","","x-ray","0.71073","MoKα","","0.0746","0.0493","","","0.1177","0.1278","","","","","","1","","","","has coordinates,has disorder","236818","2020-10-21","18:00:00",""
"4087486","9.5147","0.001","23.218","0.002","13.0086","0.0013","90","","100.058","0.002","90","","2829.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl2 N O3 Pd -","- C28 H37 Cl2 N O3 Pd -","- C112 H148 Cl8 N4 O12 Pd4 -","4","1","","Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou","Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes","Organometallics","2015","34","20","4881","","10.1021/acs.organomet.5b00181","","","0.71073","MoKα","","0.0508","0.0358","","","0.0846","0.0925","","","","","","1.026","","","","has coordinates","236819","2020-10-21","18:00:00",""
"4087487","8.8701","0.0002","22.998","0.0005","18.6443","0.0003","90","","92.01","0.002","90","","3801","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl2 N O3 Pd -","- C42 H48 Cl2 N O3 Pd -","- C168 H192 Cl8 N4 O12 Pd4 -","4","1","","Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou","Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes","Organometallics","2015","34","20","4881","","10.1021/acs.organomet.5b00181","","","0.71073","MoKα","","0.0382","0.0303","","","0.0675","0.0719","","","","","","1.059","","","","has coordinates","236819","2020-10-21","18:00:00",""
"4087488","13.599","0.002","12.61","0.002","18.017","0.002","90","","116.508","0.009","90","","2764.8","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N O3.25 Pd -","- C29 H34 Cl N O3.25 Pd -","- C116 H136 Cl4 N4 O13 Pd4 -","4","1","","Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou","Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes","Organometallics","2015","34","20","4881","","10.1021/acs.organomet.5b00181","","","0.71073","MoKα","","0.0644","0.0422","","","0.1028","0.1145","","","","","","1.07","","","","has coordinates","236819","2020-10-21","18:00:00",""
"4087489","9.2584","0.0002","9.573","0.0003","24.0973","0.0005","90","","91.259","0.002","90","","2135.24","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O -","- C28 H25 N O -","- C112 H100 N4 O4 -","4","1","","Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou","Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes","Organometallics","2015","34","20","4881","","10.1021/acs.organomet.5b00181","","","0.71073","MoKα","","0.0574","0.0431","","","0.1029","0.1096","","","","","","1.049","","","","has coordinates","236819","2020-10-21","18:00:00",""
"4087490","15.0704","0.0005","10.5766","0.0004","17.322","0.0007","90","","112.425","0.004","90","","2552.23","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N O -","- C32 H33 N O -","- C128 H132 N4 O4 -","4","1","","Luo, Bao-Tian; Liu, Huan; Lin, Zhi-Jie; Jiang, Jingxing; Shen, Dong-Sheng; Liu, Rui-Zhi; Ke, Zhuofeng; Liu, Feng-Shou","Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes","Organometallics","2015","34","20","4881","","10.1021/acs.organomet.5b00181","","","0.71073","MoKα","","0.0554","0.0418","","","0.1019","0.1089","","","","","","0.966","","","","has coordinates","236819","2020-10-21","18:00:00",""
"4087491","15.843","0.0005","8.3233","0.0003","25.4115","0.0008","90","","100.476","0.002","90","","3295.06","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl4 N2 O Ru -","- C33 H44 Cl4 N2 O Ru -","- C132 H176 Cl16 N8 O4 Ru4 -","4","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0537","0.0337","","","0.0489","0.0499","","","","","","2.526","","","","has coordinates,has disorder","236821","2020-10-21","18:00:00",""
"4087492","13.3683","0.0007","14.2591","0.0007","20.074","0.001","90","","91.455","0.003","90","","3825.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N2 O3 Ru -","- C42 H62 N2 O3 Ru -","- C168 H248 N8 O12 Ru4 -","4","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0586","0.0438","","","0.1121","0.1233","","","","","","1.044","","","","has coordinates","236821","2020-10-21","18:00:00",""
"4087493","11.7033","0.0005","32.0649","0.0013","11.981","0.0005","90","","116.382","0.002","90","","4027.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.63 H64.76 N2 O3.69 Ru -","- C44.628 H64.762 N2 O3.689 Ru -","- C178.512 H259.048 N8 O14.756 Ru4 -","4","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0706","0.0452","","","0.0905","0.0988","","","","","","1.034","","","","has coordinates,has disorder","236821","2020-10-21","18:00:00",""
"4087494","7.6533","0.0004","14.3189","0.0007","16.6863","0.0009","106.867","0.002","101.578","0.002","100.57","0.002","1656.39","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N2 O3 Ru -","- C36 H48 N2 O3 Ru -","- C72 H96 N4 O6 Ru2 -","2","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0541","0.0355","","","0.0705","0.0754","","","","","","1.171","","","","has coordinates","236821","2020-10-21","18:00:00",""
"4087495","11.6331","0.001","14.198","0.0013","24.098","0.002","90","","90","","90","","3980.2","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H57 N O6 Ru S -","- C38 H57 N O6 Ru S -","- C152 H228 N4 O24 Ru4 S4 -","4","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0727","0.0493","","","0.07","0.073","","","","","","1.374","","","","has coordinates,has disorder","236821","2020-10-21","18:00:00",""
"4087496","17.9034","0.0005","10.1304","0.0003","18.8525","0.0005","90","","90.6059","0.0009","90","","3419.06","0.17","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Cl2 N2 O1.5 Ru -","- C34 H49 Cl2 N2 O1.5 Ru -","- C136 H196 Cl8 N8 O6 Ru4 -","4","2","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","1.54178","CuKα","","0.0263","0.0255","","","0.06","0.0603","","","","","","1.122","","","","has coordinates","236821","2020-10-21","18:00:00",""
"4087497","7.4672","0.0002","9.9953","0.0003","20.1846","0.0004","85.466","0.002","89.99","0.002","69.953","0.002","1410.23","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Fe S -","- C18 H14 Fe S -","- C72 H56 Fe4 S4 -","4","2","","Donoli, Alessandro; Bisello, Annalisa; Cardena, Roberta; Crisma, Marco; Orian, Laura; Santi, Saverio","Charge Transfer Properties of Benzo[b]thiophene Ferrocenyl Complexes","Organometallics","2015","34","18","4451","","10.1021/acs.organomet.5b00191","","","0.71069","MoKα","","0.0567","0.0429","","","0.0903","0.0958","","","","","","1.061","","","","has coordinates","236822","2020-10-21","18:00:00",""
"4087498","8.7387","0.0009","8.8209","0.0008","12.8954","0.0015","90.518","0.009","95.357","0.009","92.272","0.008","988.82","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 Fe N -","- C25 H30 Fe N -","- C50 H60 Fe2 N2 -","2","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers","Organometallics","2015","34","9","1701","","10.1021/acs.organomet.5b00193","","","1.54184","CuKα","","0.0976","0.0718","","","0.1645","0.1858","","","","","","1.018","","","","has coordinates","236823","2020-10-21","18:00:00",""
"4087499","17.267","0.003","15.009","0.003","17.57","0.004","90","","95.29","0.015","90","","4534.1","1.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cl2 Fe2 N2 Zn -","- C50 H60 Cl2 Fe2 N2 Zn -","- C200 H240 Cl8 Fe8 N8 Zn4 -","4","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers","Organometallics","2015","34","9","1701","","10.1021/acs.organomet.5b00193","","","1.54178","CuKα","","0.1952","0.0833","","","0.1755","0.2383","","","","","","0.979","","","","has coordinates","236823","2020-10-21","18:00:00",""
"4087500","9.8429","0.0003","12.5224","0.0003","15.4312","0.0004","84.808","0.002","73.656","0.002","84.961","0.002","1813.77","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35 Cl3 Fe2 N2 O4 Zn -","- C39 H35 Cl3 Fe2 N2 O4 Zn -","- C78 H70 Cl6 Fe4 N4 O8 Zn2 -","2","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers","Organometallics","2015","34","9","1701","","10.1021/acs.organomet.5b00193","","","1.54178","CuKα","","0.0751","0.0618","","","0.1636","0.1735","","","","","","1.006","","","","has coordinates","236823","2020-10-21","18:00:00",""
"4087501","15.8819","0.0006","14.5187","0.0007","24.1193","0.0008","90","","105.931","0.003","90","","5347.9","0.4","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H60.5 Cl2.5 Fe2 N2 O3 Re -","- C53.5 H60.5 Cl2.5 Fe2 N2 O3 Re -","- C214 H242 Cl10 Fe8 N8 O12 Re4 -","4","1","","Coe, Benjamin J.; Foxon, Simon P.; Pilkington, Rachel A.; Sánchez, Sergio; Whittaker, Daniel; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers","Organometallics","2015","34","9","1701","","10.1021/acs.organomet.5b00193","","","1.54178","CuKα","","0.1086","0.0713","","","0.1821","0.2018","","","","","","0.972","","","","has coordinates,has disorder","236823","2020-10-21","18:00:00",""
"4087502","26.939","0.004","15.327","0.002","18.094","0.003","90","","95.577","0.003","90","","7435.5","1.9","100","0.5","100","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","jonlm03","(dippe)Pd(k2-BT)","","- C22.33 H38.67 Cl0.67 P2 Pd S -","- C22.3333 H38.6667 Cl0.666667 P2 Pd S -","- C268 H464 Cl8 P24 Pd12 S12 -","12","1.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.101","0.0461","","","0.0951","0.1154","","","","","","1.009","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087503","25.061","0.003","15.4141","0.0017","19.272","0.002","90","","90","","90","","7444.6","1.4","100","0.5","100","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","jonlm06","(dippe)Pd(k2-3MeBT)","","- C23 H40 P2 Pd S -","- C23 H40 P2 Pd S -","- C276 H480 P24 Pd12 S12 -","12","1.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0831","0.0584","","","0.1107","0.1197","","","","","","1.145","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087504","8.7821","0.0014","18.6","0.003","31.739","0.005","90","","97.011","0.003","90","","5145.7","1.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonlm01","(dippe)Pd(k2-DBT)","","- C26 H40 P2 Pd S -","- C26 H40 P2 Pd S -","- C208 H320 P16 Pd8 S8 -","8","2","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.1353","0.0729","","","0.1552","0.1783","","","","","","1.019","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4087505","10.8988","0.0009","15.1108","0.0013","19.0889","0.0016","103.038","0.002","103.999","0.002","101.001","0.002","2869.9","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonlm05","(dippe)Pd(thianthrene)","","- C27.5 H41.5 P2 Pd S2 -","- C27.5 H41.5 P2 Pd S2 -","- C110 H166 P8 Pd4 S8 -","4","2","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.087","0.0457","","","0.0865","0.1014","","","","","","1.003","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4087506","11.4815","0.001","15.9111","0.0014","14.9123","0.0014","90","","94.157","0.002","90","","2717.1","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonlm04","(dippe)Pd(k2-thioxanthene)","","- C27 H42 P2 Pd S -","- C27 H42 P2 Pd S -","- C108 H168 P8 Pd4 S4 -","4","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0487","0.0334","","","0.0757","0.0833","","","","","","1.033","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4087507","11.082","0.002","17.162","0.003","17.593","0.003","62.304","0.003","71.88","0.003","73.051","0.004","2772.4","0.8","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonlm15","(dippe)Pd(SPh)2","","- C26 H42 P2 Pd S2 -","- C26 H42 P2 Pd S2 -","- C104 H168 P8 Pd4 S8 -","4","2","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0551","0.035","","","0.0713","0.0804","","","","","","1.021","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4087508","15.625","0.002","16.806","0.002","20.814","0.003","90","","90","","90","","5465.6","1.2","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm10","(dippe)Pd(SPh)2 / (dippe)Pd(SPh)(C(=O)Ph)","","- C26.88 H40.88 O0.88 P2 Pd S1.12 -","- C26.8833 H40.8833 O0.8833 P2 Pd S1.1167 -","- C215.066 H327.066 O7.0664 P16 Pd8 S8.9336 -","8","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.073","0.0395","","","0.0818","0.0949","","","","","","1.018","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087509","14.308","0.005","14.308","0.005","18.642","0.007","90","","90","","90","","3816","2","100","0.5","100","0.5","","","","","","","","5","I -4 c 2","I -4 -2c","120","jonlm11","(dippe)PdCl2","","- C14 H32 Cl2 P2 Pd -","- C14 H32 Cl2 P2 Pd -","- C112 H256 Cl16 P16 Pd8 -","8","0.5","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.0175","0.0158","","","0.0389","0.0398","","","","","","1.119","","","","has coordinates","236824","2020-10-21","18:00:00",""
"4087510","17.281","0.002","11.8806","0.0014","28.514","0.004","90","","104.322","0.002","90","","5672.2","1.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H96 N P3 Pt -","- C61 H96 N P3 Pt -","- C244 H384 N4 P12 Pt4 -","4","1","","Taguchi, Hiro-omi; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki","Catalytic Synthesis of an Unsymmetrical PNP-Pincer-Type Phosphaalkene Ligand","Organometallics","2015","34","8","1589","","10.1021/acs.organomet.5b00195","","","0.71075","MoKα","","0.0512","0.0434","","","0.0951","0.0996","","","","","","1.168","","","","has coordinates,has disorder","236826","2020-10-21","18:00:00",""
"4087511","10.4778","0.0011","16.0104","0.0018","18.23","0.002","82.466","0.004","75.797","0.004","72.53","0.004","2822.5","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H83 Cl N P3 Ru -","- C63.5 H83 Cl N P3 Ru -","- C127 H166 Cl2 N2 P6 Ru2 -","2","1","","Taguchi, Hiro-omi; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki","Catalytic Synthesis of an Unsymmetrical PNP-Pincer-Type Phosphaalkene Ligand","Organometallics","2015","34","8","1589","","10.1021/acs.organomet.5b00195","","","0.71075","MoKα","","0.0497","0.0401","","","0.0846","0.0911","","","","","","1.032","","","","has coordinates,has disorder","236826","2020-10-21","18:00:00",""
"4087512","34.205","0.002","8.6565","0.0006","31.071","0.002","90","","94.831","0.001","90","","9167.3","1","110.15","","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 B11 Cl11 P2 Ta -","- C28 H47 B11 Cl11 P2 Ta -","- C224 H376 B88 Cl88 P16 Ta8 -","8","1","","Ramírez-Contreras, Rodrigo; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Cycloaddition and C‒H Activation Reactions of a Tantalum Alkylidyne","Organometallics","2015","34","7","1143","","10.1021/acs.organomet.5b00205","","x-ray","0.71073","MoKα","K-L~3~","0.0259","0.0221","","","0.0472","0.0486","","","","","","1.048","","","","has coordinates","236828","2020-10-21","18:00:00",""
"4087513","9.2542","0.0009","15.4298","0.0015","17.0711","0.0017","81.756","0.001","74.791","0.001","84.253","0.001","2322.9","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 B11 Cl11 P Ta -","- C27 H40 B11 Cl11 P Ta -","- C54 H80 B22 Cl22 P2 Ta2 -","2","1","","Ramírez-Contreras, Rodrigo; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Cycloaddition and C‒H Activation Reactions of a Tantalum Alkylidyne","Organometallics","2015","34","7","1143","","10.1021/acs.organomet.5b00205","","","0.71073","MoKα","","0.0354","0.033","","","0.0944","0.0957","","","","","","1.025","","","","has coordinates","236828","2020-10-21","18:00:00",""
"4087514","14.4466","0.0005","14.9597","0.0009","20.865","0.0007","82.666","0.004","86.835","0.003","62.527","0.005","3968","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H86 I2 Ir2 N8 -","- C70 H86 I2 Ir2 N8 -","- C140 H172 I4 Ir4 N16 -","2","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Nanosized Janus Bis-N-heterocyclic Carbene Ligand Based on a Quinoxalinophenanthrophenazine Core, and Its Coordination to Iridium","Organometallics","2015","34","9","1725","","10.1021/acs.organomet.5b00208","","","0.71073","MoKα","","0.1207","0.0697","","","0.1923","0.2332","","","","","","1.021","","","","has coordinates,has disorder","236829","2020-10-21","18:00:00",""
"4087515","20.505","0.0008","8.8115","0.0003","13.7368","0.0005","90","","90","","90","","2481.96","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H24 Au O2 P S -","- C28 H24 Au O2 P S -","- C112 H96 Au4 O8 P4 S4 -","4","1","","Zalesskiy, Sergey S.; Khrustalev, Victor N.; Kostukovich, Alexandr Yu.; Ananikov, Valentine P.","Carboxylic Group-Assisted Proton Transfer in Gold-Mediated Thiolation of Alkynes","Organometallics","2015","34","21","5214","","10.1021/acs.organomet.5b00210","","","0.71073","MoKα","","0.034","0.0233","","","0.0458","0.0487","","","","","","0.912","","","","has coordinates","236830","2020-10-21","18:00:00",""
"4087516","8.8545","0.0001","26.641","0.0005","10.0542","0.0002","90","","113.643","0.001","90","","2172.64","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 U -","- C24 H24 N4 U -","- C96 H96 N16 U4 -","4","1","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","0.71073","MoKα","","0.0577","0.0306","","","0.0551","0.0609","","","","","","0.953","","","","has coordinates","236831","2020-10-21","18:00:00",""
"4087517","15.0546","0.0006","12.9697","0.0004","15.2621","0.0004","90","","108.171","0.002","90","","2831.37","0.16","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 O4 U -","- C32 H36 O4 U -","- C128 H144 O16 U4 -","4","1","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","1.54178","CuKα","","0.0467","0.0411","","","0.1205","0.1271","","","","","","1.13","","","","has coordinates","236832","2020-10-21","18:00:00",""
"4087518","13.7754","0.0004","13.7754","0.0004","9.2246","0.0004","90","","90","","90","","1750.48","0.1","150","2","150","2","","","","","","","","3","P -4","P -4","81","","","","- C40 H52 U -","- C40 H52 U -","- C80 H104 U2 -","2","0.5","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","1.54178","CuKα","","0.0576","0.0428","","","0.1231","0.1331","","","","","","1.176","","","","has coordinates","236833","2020-10-21","18:00:00",""
"4087519","19.8917","0.0006","7.5254","0.0002","18.6598","0.0008","90","","90","","90","","2793.24","0.16","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H36 O4 U -","- C32 H36 O4 U -","- C128 H144 O16 U4 -","4","0.5","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","1.54178","CuKα","","0.0605","0.0534","","","0.1771","0.1897","","","","","","1.195","","","","has coordinates","236834","2020-10-21","18:00:00",""
"4087520","16.3339","0.0006","16.3339","0.0006","7.254","0.0005","90","","90","","90","","1935.34","0.17","200","2","200","2","","","","","","","","3","I -4","I -4","82","","","","- C44 H60 U -","- C44 H60 U -","- C88 H120 U2 -","2","0.25","","Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.","New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives","Organometallics","2015","34","12","2889","","10.1021/acs.organomet.5b00212","","","0.71073","MoKα","","0.0535","0.0345","","","0.0646","0.0802","","","","","","1.13","","","","has coordinates","236835","2020-10-21","18:00:00",""
"4087521","9.532","0.0003","36.1812","0.0011","9.6015","0.0004","90","","90","","90","","3311.4","0.2","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H34 F4 Ni P2 -","- C40 H34 F4 Ni P2 -","- C160 H136 F16 Ni4 P8 -","4","1","","Ohashi, Masato; Kawashima, Takuya; Taniguchi, Tomoaki; Kikushima, Kotaro; Ogoshi, Sensuke","2,2,3,3-Tetrafluoronickelacyclopentanes Generated via the Oxidative Cyclization of Tetrafluoroethylene and Simple Alkenes: A Key Intermediate in Nickel-Catalyzed C‒C Bond-Forming Reactions","Organometallics","2015","34","9","1604","","10.1021/acs.organomet.5b00218","","","0.71075","MoKα","","0.0309","0.0263","","","0.0597","0.0619","","","","","","1.027","","","","has coordinates","236836","2020-10-21","18:00:00",""
"4087522","16.074","0.005","10.365","0.003","17.929","0.004","90","","104.843","0.009","90","","2887.4","1.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 F4 Ni O P -","- C30 H43 F4 Ni O P -","- C120 H172 F16 Ni4 O4 P4 -","4","1","","Ohashi, Masato; Kawashima, Takuya; Taniguchi, Tomoaki; Kikushima, Kotaro; Ogoshi, Sensuke","2,2,3,3-Tetrafluoronickelacyclopentanes Generated via the Oxidative Cyclization of Tetrafluoroethylene and Simple Alkenes: A Key Intermediate in Nickel-Catalyzed C‒C Bond-Forming Reactions","Organometallics","2015","34","9","1604","","10.1021/acs.organomet.5b00218","","","0.71075","MoKα","","0.0873","0.0468","","","0.0797","0.0907","","","","","","0.965","","","","has coordinates","236836","2020-10-21","18:00:00",""
"4087523","11.7724","0.0006","16.1092","0.0009","17.018","0.0009","90","","90","","90","","3227.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 B N3 O3 Tl -","- C30 H47 B N3 O3 Tl -","- C120 H188 B4 N12 O12 Tl4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0232","0.0206","","","0.0478","0.0488","","","","","","0.974","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087524","10.6557","0.0005","14.809","0.0007","21.3069","0.001","90","","90","","90","","3362.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B Mn N3 O6 -","- C33 H47 B Mn N3 O6 -","- C132 H188 B4 Mn4 N12 O24 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0301","0.0271","","","0.069","0.0718","","","","","","0.658","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087525","10.712","0.002","14.893","0.003","21.55","0.005","90","","90","","90","","3438","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B N3 O6 Re -","- C33 H47 B N3 O6 Re -","- C132 H188 B4 N12 O24 Re4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0658","0.0493","","","0.1152","0.1243","","","","","","1.058","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087526","12.3871","0.0016","15.826","0.002","16.676","0.002","90","","90","","90","","3269.1","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 B Cl N3 O3 Zn -","- C30 H47 B Cl N3 O3 Zn -","- C120 H188 B4 Cl4 N12 O12 Zn4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0233","0.021","","","0.0539","0.0546","","","","","","1.017","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087527","12.818","0.003","12.818","","20.039","0.004","90","","90","","90","","3292.4","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 B N3 O3 Zn -","- C30 H48 B N3 O3 Zn -","- C120 H192 B4 N12 O12 Zn4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0583","0.0431","","","0.0876","0.0911","","","","","","1.211","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087528","9.1537","0.0018","22.628","0.005","9.874","0.002","90","","94.09","0.03","90","","2040","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br Fe2 O7 S -","- C16 H11 Br Fe2 O7 S -","- C64 H44 Br4 Fe8 O28 S4 -","4","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0718","0.0485","","","0.1126","0.1256","","","","","","1.003","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087529","8.5137","0.0017","34.78","0.007","14.863","0.003","90","","105.2","0.03","90","","4247.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Fe2 O7 S -","- C19 H18 Fe2 O7 S -","- C152 H144 Fe16 O56 S8 -","8","2","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0461","0.0384","","","0.0898","0.0991","","","","","","1.159","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087530","21.648","0.002","10.9504","0.0011","18.1944","0.0018","90","","95.296","0.003","90","","4294.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Fe2 O7 S -","- C20 H12 Fe2 O7 S -","- C160 H96 Fe16 O56 S8 -","8","2","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.1074","0.0508","","","0.0874","0.1022","","","","","","1.059","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087531","9.0089","0.0018","10.801","0.002","12.333","0.003","91.16","0.03","92.53","0.03","99.67","0.03","1181.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Fe2 O7 S2 -","- C22 H18 Fe2 O7 S2 -","- C44 H36 Fe4 O14 S4 -","2","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0396","0.0293","","","0.0754","0.0772","","","","","","1.144","","","","has coordinates,has disorder","236840","2020-10-21","18:00:00",""
"4087532","17.077","0.003","9.1908","0.0018","18.698","0.004","90","","116.77","0.03","90","","2620.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Fe2 O7 S2 -","- C25 H22 Fe2 O7 S2 -","- C100 H88 Fe8 O28 S8 -","4","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0589","0.0456","","","0.0998","0.1076","","","","","","1.043","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087533","21.663","0.004","12.539","0.003","15.187","0.003","90","","90","","90","","4125.3","1.5","113","2","113","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H14 Fe2 O7 S2 -","- C19 H14 Fe2 O7 S2 -","- C152 H112 Fe16 O56 S16 -","8","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0321","0.0282","","","0.0602","0.0619","","","","","","1.088","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087534","8.7333","0.0017","15.6","0.003","19.086","0.004","109.39","0.03","95.97","0.03","98.96","0.03","2388.8","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Fe2 N O7 S -","- C23 H21 Fe2 N O7 S -","- C92 H84 Fe8 N4 O28 S4 -","4","2","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0512","0.0377","","","0.0721","0.0793","","","","","","1.12","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087535","13.376","0.008","11.91","0.007","13.538","0.009","90","","95.474","0.009","90","","2147","2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Fe2 N O7 S -","- C16 H23 Fe2 N O7 S -","- C64 H92 Fe8 N4 O28 S4 -","4","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0717","0.0591","","","0.172","0.1768","","","","","","1.105","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087536","8.8352","0.0017","24.754","0.005","10.938","0.002","90","","92.084","0.004","90","","2390.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Fe2 N O7 S -","- C17 H25 Fe2 N O7 S -","- C68 H100 Fe8 N4 O28 S4 -","4","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71075","MoKα","","0.1101","0.0592","","","0.1205","0.1417","","","","","","1.073","","","","has coordinates,has disorder","236840","2020-10-21","18:00:00",""
"4087537","8.9081","0.0018","24.662","0.005","11.073","0.002","90","","94.254","0.003","90","","2425.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Fe2 N O7 S -","- C19 H27 Fe2 N O7 S -","- C76 H108 Fe8 N4 O28 S4 -","4","1","","Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao","Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes","Organometallics","2015","34","9","1730","","10.1021/acs.organomet.5b00228","","","0.71073","MoKα","","0.0411","0.0326","","","0.0824","0.0883","","","","","","1.023","","","","has coordinates","236840","2020-10-21","18:00:00",""
"4087538","10.5166","0.0001","27.7404","0.0002","25.6209","0.0002","90","","99.873","0.001","90","","7363.81","0.11","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H69 B2 Cl6 F8 O4 Os P3 -","- C76 H69 B2 Cl6 F8 O4 Os P3 -","- C304 H276 B8 Cl24 F32 O16 Os4 P12 -","4","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","1.54178","CuKα","","0.0437","0.0425","","","0.1079","0.1088","","","","","","1.055","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087539","12.4738","0.0004","16.1429","0.0005","20.2952","0.0007","70.968","0.001","88.351","0.001","79.532","0.001","3797","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H73 B2 Cl6 F8 O4 Os P3 -","- C78 H73 B2 Cl6 F8 O4 Os P3 -","- C156 H146 B4 Cl12 F16 O8 Os2 P6 -","2","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","0.71073","MoKα","","0.1519","0.0832","","","0.2026","0.2984","","","","","","1.227","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087540","20.2277","0.0002","22.4748","0.0002","15.2161","0.0002","90","","111.549","0.001","90","","6433.94","0.13","134","5","134","5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H67 B2 Cl2 F8 O4 Os P3 -","- C74 H67 B2 Cl2 F8 O4 Os P3 -","- C296 H268 B8 Cl8 F32 O16 Os4 P12 -","4","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","1.54178","CuKα","","0.0344","0.0323","","","0.0876","0.0894","","","","","","1.027","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087541","13.0016","0.0004","13.3826","0.0009","22.8476","0.0006","78.566","0.001","80.866","0.001","61.919","0.001","3427.9","0.3","153","","153","","","","","","","","","8","P -1","-P 1","2","","triclinic","","- C74 H67 B2 Cl2 F8 O4 Os P3 -","- C74 H67 B2 Cl2 F8 O4 Os P3 -","- C148 H134 B4 Cl4 F16 O8 Os2 P6 -","2","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","0.71073","MoKα","","0.0958","0.0698","","","0.1576","0.1848","","","","","","1.104","","","","has coordinates,has disorder","236843","2020-10-21","18:00:00",""
"4087542","10.8669","0.0002","13.138","0.0003","20.8981","0.0004","91.874","0.001","102.402","0.001","109.764","0.001","2724.27","0.1","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H56 B Cl0 F4 O2 Os P3 -","- C68 H56 B F4 O2 Os P3 -","- C136 H112 B2 F8 O4 Os2 P6 -","2","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","0.71073","MoKα","","0.0342","0.0277","","","0.0627","0.0652","","","","","","1.037","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087543","19.8637","0.0007","23.1808","0.0005","14.2062","0.0004","90","","109.839","0.004","90","","6153.1","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H61 B2 Cl2 F8 O2 Os P3 -","- C70 H61 B2 Cl2 F8 O2 Os P3 -","- C280 H244 B8 Cl8 F32 O8 Os4 P12 -","4","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","0.71073","MoKα","","0.0654","0.0434","","","0.1209","0.1358","","","","","","0.905","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087544","19.7718","0.0008","23.4779","0.0009","14.3128","0.0004","90","","110.442","0.001","90","","6225.6","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 B2 Cl3 F8 O2 Os P3 -","- C70 H60 B2 Cl3 F8 O2 Os P3 -","- C280 H240 B8 Cl12 F32 O8 Os4 P12 -","4","1","","Zhou, Xiaoxi; He, Xiehua; Lin, Jianfeng; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Wang, Jianbo; Xia, Haiping","Reactions of Osmium Hydrido Alkenylcarbyne with Allenoates: Insertion and [3 + 2] Annulation","Organometallics","2015","34","9","1742","","10.1021/acs.organomet.5b00242","","","0.71073","MoKα","","0.0899","0.0559","","","0.1436","0.1725","","","","","","1.125","","","","has coordinates","236843","2020-10-21","18:00:00",""
"4087545","10.3064","0.0003","12.511","0.0003","13.0152","0.0003","102.821","0.001","110.048","0.001","102.483","0.001","1456.9","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 F6 N Rh S Sb -","- C32 H25 F6 N Rh S Sb -","- C64 H50 F12 N2 Rh2 S2 Sb2 -","2","1","","Baker, Robert W.; Turner, Peter; Luck, Ian J.","Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine","Organometallics","2015","34","9","1751","","10.1021/acs.organomet.5b00255","","","0.71073","MoKα","","0.0255","0.0203","","","0.0629","0.0752","","","","","","1.238","","","","has coordinates","236846","2020-10-21","18:00:00",""
"4087546","10.3247","0.0002","12.1351","0.0003","13.5994","0.0003","104.285","0.002","109.105","0.002","103.413","0.002","1466.45","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H25 F6 N O Rh S Sb -","- C32 H25 F6 N O Rh S Sb -","- C64 H50 F12 N2 O2 Rh2 S2 Sb2 -","2","1","","Baker, Robert W.; Turner, Peter; Luck, Ian J.","Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine","Organometallics","2015","34","9","1751","","10.1021/acs.organomet.5b00255","","","1.5418","CuKα","","0.0266","0.0228","","","0.0533","0.055","","","","","","1.32","","","","has coordinates","236846","2020-10-21","18:00:00",""
"4087547","8.0569","0.0003","9.0206","0.0003","22.9236","0.0008","84.576","0.002","87.844","0.002","76.751","0.002","1614.22","0.1","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C33 H27 Cl2 F6 N O Rh S Sb -","- C33 H27 Cl2 F6 N O Rh S Sb -","- C66 H54 Cl4 F12 N2 O2 Rh2 S2 Sb2 -","2","2","","Baker, Robert W.; Turner, Peter; Luck, Ian J.","Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine","Organometallics","2015","34","9","1751","","10.1021/acs.organomet.5b00255","","","0.71073","MoKα","","0.0363","0.0325","","","0.081","0.099","","","","","","1.188","","","","has coordinates","236846","2020-10-21","18:00:00",""
"4087548","10.4194","0.0007","12.1475","0.0009","13.4612","0.0009","104.437","0.002","110.394","0.002","101.251","0.002","1470.04","0.18","150","2","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C32 H25 F6 N O Rh S Sb -","- C32 H25 F6 N O Rh S Sb -","- C64 H50 F12 N2 O2 Rh2 S2 Sb2 -","2","1","","Baker, Robert W.; Turner, Peter; Luck, Ian J.","Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine","Organometallics","2015","34","9","1751","","10.1021/acs.organomet.5b00255","","","0.71073","MoKα","","0.0403","0.0288","","","0.0815","0.1005","","","","","","1.384","","","","has coordinates","236846","2020-10-21","18:00:00",""
"4087549","17.2664","0.0005","29.5903","0.0008","18.8491","0.0005","90","","115.471","0.001","90","","8694.3","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 F3 N Ni O5 P2 S -","- C22 H36 F3 N Ni O5 P2 S -","- C264 H432 F36 N12 Ni12 O60 P24 S12 -","12","3","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","x-ray","1.54178","CuKα","","0.0577","0.0526","","","0.1399","0.1457","","","","","","1.027","","","","has coordinates,has disorder","236849","2020-10-21","18:00:00",""
"4087550","7.8233","0.0006","30.142","0.002","12.173","0.0009","90","","91.384","0.003","90","","2869.7","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H36 F3 N Ni O6 P2 S -","- C22 H36 F3 N Ni O6 P2 S -","- C88 H144 F12 N4 Ni4 O24 P8 S4 -","4","2","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0255","0.0253","","","0.0677","0.0678","","","","","","1.062","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087551","8.7522","0.0003","20.3175","0.0006","33.7301","0.001","90","","90","","90","","5998","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","8","P b c a","-P 2ac 2ab","61","","","","- C23 H36 F3 N Ni O7 P2 S -","- C23 H36 F3 N Ni O7 P2 S -","- C184 H288 F24 N8 Ni8 O56 P16 S8 -","8","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0326","0.0315","","","0.0895","0.0906","","","","","","1.049","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087552","32.477","0.002","7.9125","0.0006","19.2364","0.0014","90","","111.212","0.003","90","","4608.3","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Br2 Ni O2 P2 -","- C18 H30 Br2 Ni O2 P2 -","- C144 H240 Br16 Ni8 O16 P16 -","8","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0344","0.0339","","","0.087","0.0874","","","","","","1.071","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087553","12.5191","0.0005","15.3796","0.0007","30.011","0.0013","90","","90","","90","","5778.3","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","9","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br F3 N Ni O5 P2 S -","- C21 H33 Br F3 N Ni O5 P2 S -","- C168 H264 Br8 F24 N8 Ni8 O40 P16 S8 -","8","2","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0352","0.0351","","","0.0976","0.0978","","","","","","1.064","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087554","12.2437","0.0003","12.5695","0.0003","13.8799","0.0004","63.3389","0.0015","65.923","0.0015","75.9872","0.0015","1738.3","0.08","100","","100","","","","","","","","Synthesized by the authors. See text","8","P -1","-P 1","2","","","","- C29 H50 F3 N Ni O5 P2 S -","- C29 H50 F3 N Ni O5 P2 S -","- C58 H100 F6 N2 Ni2 O10 P4 S2 -","2","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0353","0.0313","","","0.1077","0.115","","","","","","1.014","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087555","7.8959","0.0002","11.9279","0.0003","16.3259","0.0004","88.454","0.001","87.756","0.001","87.087","0.001","1533.95","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42 F3 N Ni O5 P2 S -","- C25 H42 F3 N Ni O5 P2 S -","- C50 H84 F6 N2 Ni2 O10 P4 S2 -","2","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","x-ray","1.54178","CuKα","","0.0397","0.038","","","0.1034","0.1052","","","","","","1.026","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087556","7.9471","0.0002","12.5511","0.0004","33.5307","0.001","90","","92.98","0.001","90","","3339.99","0.17","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 F3 N Ni O7 P2 S -","- C27 H44 F3 N Ni O7 P2 S -","- C108 H176 F12 N4 Ni4 O28 P8 S4 -","4","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","x-ray","1.54178","CuKα","","0.0318","0.0312","","","0.0868","0.0873","","","","","","1.056","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087557","10.247","0.0011","22.123","0.002","11.4681","0.0012","90","","95.257","0.001","90","","2588.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl F3 O3 P2 Pt -","- C21 H38 Cl F3 O3 P2 Pt -","- C84 H152 Cl4 F12 O12 P8 Pt4 -","4","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0318","0.0241","","","0.0458","0.0481","","","","","","1.035","","","","has coordinates,has disorder","236851","2020-10-21","18:00:00",""
"4087558","10.612","0.004","10.8","0.004","12.571","0.005","106.029","0.004","101.586","0.004","92.639","0.004","1348.6","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl F6 O3 P2 Pt -","- C21 H35 Cl F6 O3 P2 Pt -","- C42 H70 Cl2 F12 O6 P4 Pt2 -","2","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.039","0.0301","","","0.0723","0.0776","","","","","","1.044","","","","has coordinates","236851","2020-10-21","18:00:00",""
"4087559","18.7784","0.0014","15.4366","0.0011","17.3652","0.0013","90","","104.461","0.001","90","","4874.3","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H70 Cl2 F6 O6 P4 Pt2 S -","- C38 H70 Cl2 F6 O6 P4 Pt2 S -","- C152 H280 Cl8 F24 O24 P16 Pt8 S4 -","4","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0339","0.0268","","","0.0576","0.0601","","","","","","1.05","","","","has coordinates,has disorder","236851","2020-10-21","18:00:00",""
"4087560","12.637","0.002","16.421","0.003","12.161","0.002","90","","107.261","0.002","90","","2409.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19.86 H38 Br1.14 N0.86 O2 P2 Pt -","- C19.86 H38 Br1.14 N0.86 O2 P2 Pt -","- C79.44 H152 Br4.56 N3.44 O8 P8 Pt4 -","4","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0318","0.0246","","","0.0533","0.0559","","","","","","1.034","","","","has coordinates,has disorder","236851","2020-10-21","18:00:00",""
"4087561","26.309","0.002","12.8141","0.001","14.8785","0.0011","90","","90.118","0.001","90","","5015.9","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C19 H35 B Cl F3 O4 P2 Pt -","- C19 H35 B Cl F3 O4 P2 Pt -","- C152 H280 B8 Cl8 F24 O32 P16 Pt8 -","8","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0235","0.0185","","","0.0386","0.0399","","","","","","1.055","","","","has coordinates","236851","2020-10-21","18:00:00",""
"4087562","12.853","0.004","13.165","0.004","14.31","0.004","90","","90","","90","","2421.4","1.3","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C20 H34 F3 N P2 Pt -","- C20 H34 F3 N P2 Pt -","- C80 H136 F12 N4 P8 Pt4 -","4","0.5","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxyl Radical Control through Hydrogen Bonding: Photolysis of Platinum(IV)hydroxido Complexes with Intramolecular H-Bonding","Organometallics","2015","34","14","3451","","10.1021/acs.organomet.5b00292","","","0.71073","MoKα","","0.0184","0.0153","","","0.0356","0.0366","","","","","","1.041","","","","has coordinates","236851","2020-10-21","18:00:00",""
"4087563","9.908","0.003","10.852","0.003","18.585","0.005","94.352","0.003","92.112","0.004","101.411","0.004","1950.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H64 K O6 P Si4 -","- C28 H64 K O6 P Si4 -","- C56 H128 K2 O12 P2 Si8 -","2","1","","Hirakawa, Fumiya; Ichikawa, Hitomi; Ishida, Shintaro; Iwamoto, Takeaki","Redox Reactions of a Stable Dialkylphosphinyl Radical","Organometallics","2015","34","12","2714","","10.1021/acs.organomet.5b00323","","","0.71073","MoKα","","0.0661","0.048","","","0.1152","0.1292","","","","","","1.044","","","","has coordinates","236853","2020-10-21","18:00:00",""
"4087564","13.193","0.002","19.759","0.003","17.558","0.003","90","","97.938","0.002","90","","4533.2","1.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H62 Ag F3 O3 P2 S Si6 -","- C27 H62 Ag F3 O3 P2 S Si6 -","- C108 H248 Ag4 F12 O12 P8 S4 Si24 -","4","1","","Hirakawa, Fumiya; Ichikawa, Hitomi; Ishida, Shintaro; Iwamoto, Takeaki","Redox Reactions of a Stable Dialkylphosphinyl Radical","Organometallics","2015","34","12","2714","","10.1021/acs.organomet.5b00323","","","0.71073","MoKα","","0.0669","0.0418","","","0.0883","0.0997","","","","","","1.022","","","","has coordinates","236853","2020-10-21","18:00:00",""
"4087565","10.8771","0.0013","16.845","0.002","26.51","0.003","90.857","0.002","94.563","0.001","94.125","0.001","4828.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H80 K N2 O6 P Si4 -","- C37.5 H80 K N2 O6 P Si4 -","- C150 H320 K4 N8 O24 P4 Si16 -","4","2","","Hirakawa, Fumiya; Ichikawa, Hitomi; Ishida, Shintaro; Iwamoto, Takeaki","Redox Reactions of a Stable Dialkylphosphinyl Radical","Organometallics","2015","34","12","2714","","10.1021/acs.organomet.5b00323","","","0.71073","MoKα","","0.0663","0.0533","","","0.1386","0.1497","","","","","","1.092","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4087566","13.2172","0.0002","21.999","0.0004","14.0249","0.0002","90","","90.79","0.001","90","","4077.56","0.11","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","dpg34","","","- C44 H44 Ag B F4 Hg O2 P2 -","- C44 H44 Ag B F4 Hg O2 P2 -","- C176 H176 Ag4 B4 F16 Hg4 O8 P8 -","4","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David","Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions","Organometallics","2015","34","12","3029","","10.1021/acs.organomet.5b00334","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.0631","0.0644","","","","","","1.083","","","","has coordinates,has disorder","236854","2020-10-21","18:00:00",""
"4087567","21.3744","0.0003","12.6987","0.0001","24.9692","0.0004","90","","94.831","0.001","90","","6753.24","0.15","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","dpg23/dp283","","","- C79 H64 Br2 Cu2 Hg2 P4 -","- C79 H64 Br2 Cu2 Hg2 P4 -","- C316 H256 Br8 Cu8 Hg8 P16 -","4","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David","Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions","Organometallics","2015","34","12","3029","","10.1021/acs.organomet.5b00334","","x-ray","0.71073","MoKα","","0.0413","0.0275","","","0.0542","0.0594","","","","","","1.025","","","","has coordinates,has disorder","236855","2020-10-21","18:00:00",""
"4087568","11.6655","0.0004","13.822","0.0005","22.7934","0.0006","90","","93.281","0.002","90","","3669.2","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","dpg11","","","- C42 H36 Ag F3 Hg O3 P2 -","- C42 H36 Ag F3 Hg O3 P2 -","- C168 H144 Ag4 F12 Hg4 O12 P8 -","4","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David","Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions","Organometallics","2015","34","12","3029","","10.1021/acs.organomet.5b00334","","x-ray","0.71073","MoKα","","0.0701","0.0482","","","0.1173","0.1317","","","","","","1.055","","","","has coordinates","236856","2020-10-21","18:00:00",""
"4087569","10.9246","0.0008","13.0758","0.001","17.0443","0.0008","111.108","0.004","90.531","0.004","113.305","0.002","2053.1","0.3","120","2","120","2","","","","","","","synthesis as described","7","P -1","-P 1","2","DP125 1,2-dicloroetano/hx","","","- C40 H36 Au Cl5 Hg O4 P2 -","- C40 H36 Au Cl5 Hg O4 P2 -","- C80 H72 Au2 Cl10 Hg2 O8 P4 -","2","1","","López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David","Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions","Organometallics","2015","34","12","3029","","10.1021/acs.organomet.5b00334","","x-ray","0.71073","MoKα","","0.0994","0.0709","","","0.1958","0.2447","","","","","","1.112","","","","has coordinates","236857","2020-10-21","18:00:00",""
"4087570","11.1368","0.0011","15.2765","0.0016","15.4532","0.0016","90.841","0.002","91.159","0.002","103.421","0.002","2556.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Ni-Phos complex","","","- C28 H24 Cl2 N2 Ni P2 -","- C28 H24 Cl2 N2 Ni P2 -","- C112 H96 Cl8 N8 Ni4 P8 -","4","2","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0642","0.0507","","","0.1331","0.1678","","","","","","1.096","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087571","11.2228","0.001","15.2307","0.0013","15.6328","0.0014","91.336","0.002","91.389","0.002","103.033","0.002","2601.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Pd-bis-phosphine complex","","","- C28 H24 Cl2 N2 P2 Pd -","- C28 H24 Cl2 N2 P2 Pd -","- C112 H96 Cl8 N8 P8 Pd4 -","4","2","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0458","0.0369","","","0.086","0.0928","","","","","","1.054","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087572","16.503","0.003","16.518","0.003","20.791","0.004","90","","90.47","0.004","90","","5667.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Au-Phos complex","","","- C28 H24 Au2 Cl2 N2 P2 -","- C28 H24 Au2 Cl2 N2 P2 -","- C224 H192 Au16 Cl16 N16 P16 -","8","2","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0842","0.0529","","","0.114","0.1339","","","","","","1.027","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4087573","17.196","0.003","15.932","0.003","22.311","0.005","90","","112.46","0.03","90","","5649","2","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C57 H50 B Cl2 Cu F4 N4 P4 -","- C57 H50 B Cl2 Cu F4 N4 P4 -","- C228 H200 B4 Cl8 Cu4 F16 N16 P16 -","4","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0811","0.0726","","","0.1912","0.2007","","","","","","1.035","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087574","12.081","0.003","16.897","0.004","18.656","0.004","67.403","0.004","72.427","0.004","74.112","0.005","3297.6","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H63 B Cl4 Cu3 F4 N7 P4 -","- C64 H63 B Cl4 Cu3 F4 N7 P4 -","- C128 H126 B2 Cl8 Cu6 F8 N14 P8 -","2","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.093","0.0639","","","0.1561","0.196","","","","","","1.057","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4087575","13.283","0.004","21.765","0.007","21.769","0.006","90","","97.313","0.006","90","","6242","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Copper-phosphine complex","","","- C58 H54 B2 Cu F8 N4 P4 -","- C58 H54 B2 Cu F8 N4 P4 -","- C232 H216 B8 Cu4 F32 N16 P16 -","4","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.1156","0.072","","","0.1766","0.2049","","","","","","0.942","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087576","11.1242","0.0011","15.234","0.0016","11.7171","0.0012","90","","116.335","0.002","90","","1779.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Copper-phosphine complex","","","- C33 H33 B2 Cu F8 N4 P2 -","- C33 H33 B2 Cu F8 N4 P2 -","- C66 H66 B4 Cu2 F16 N8 P4 -","2","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0651","0.0509","","","0.1207","0.1348","","","","","","1.067","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087577","10.5941","0.0019","18.324","0.003","22.671","0.004","101.364","0.003","92.708","0.003","92.208","0.004","4304.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","COPPER-pHOSPHINE COMPLEX","","","- C79 H75 B4 Cu2 F16 N10 P4 -","- C79 H75 B4 Cu2 F16 N10 P4 -","- C158 H150 B8 Cu4 F32 N20 P8 -","2","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0905","0.0608","","","0.1479","0.1881","","","","","","1.103","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087578","7.549","0.003","8.518","0.004","14.909","0.007","82.126","0.007","86.228","0.008","80.974","0.007","936.9","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Imidazolium salt","","","- C17 H17 I2 N2 P -","- C17 H17 I2 N2 P -","- C34 H34 I4 N4 P2 -","2","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0668","0.0485","","","0.1307","0.1814","","","","","","1.117","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087579","7.73","0.006","13.767","0.011","17.672","0.013","90","","98.449","0.013","90","","1860","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidazolium salt","","","- C22 H24 I8 N4 S2 -","- C22 H24 I8 N4 S2 -","- C44 H48 I16 N8 S4 -","2","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.1135","0.0665","","","0.1392","0.1604","","","","","","1.037","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087580","11.1118","0.0004","18.4875","0.0007","22.6886","0.0008","90","","90","","90","","4660.9","0.3","273","2","273","2","","","","","","","","7","P b c m","-P 2c 2b","57","Pd-NHC complex","","","- C43 H41 Cl4 I3 N2 P2 Pd -","- C43 H41 Cl4 I3 N2 P2 Pd -","- C172 H164 Cl16 I12 N8 P8 Pd4 -","4","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor","Organometallics","2015","34","15","3713","","10.1021/acs.organomet.5b00336","","","0.71073","MoKα","","0.0733","0.062","","","0.1572","0.1641","","","","","","1.113","","","","has coordinates","236859","2020-10-21","18:00:00",""
"4087581","10.9962","0.0003","12.7443","0.0004","13.2851","0.0003","80.389","0.001","80.271","0.001","68.568","0.001","1696.83","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Fe N Si Sn -","- C15 H23 Fe N Si Sn -","- C60 H92 Fe4 N4 Si4 Sn4 -","4","2","","Dey, Subhayan; Quail, J. Wilson; Müller, Jens","[2]Ferrocenophanes with Nitrogen in Bridging Positions","Organometallics","2015","34","12","3039","","10.1021/acs.organomet.5b00340","","","0.71073","MoKα","","0.0354","0.0251","","","0.053","0.0569","","","","","","1.043","","","","has coordinates","236861","2020-10-21","18:00:00",""
"4087582","6.514","0.0005","10.7849","0.0008","11.7791","0.0009","96.347","0.002","90.913","0.002","98.624","0.002","812.7","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 Fe N Si2 -","- C15 H23 Fe N Si2 -","- C30 H46 Fe2 N2 Si4 -","2","1","","Dey, Subhayan; Quail, J. Wilson; Müller, Jens","[2]Ferrocenophanes with Nitrogen in Bridging Positions","Organometallics","2015","34","12","3039","","10.1021/acs.organomet.5b00340","","","0.71073","MoKα","","0.0529","0.0346","","","0.0763","0.0843","","","","","","1.025","","","","has coordinates","236861","2020-10-21","18:00:00",""
"4087583","8.6378","0.0002","15.67","0.0004","16.6663","0.0005","90","","97.0033","0.0009","90","","2239.03","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Fe N Si Sn -","- C21 H35 Fe N Si Sn -","- C84 H140 Fe4 N4 Si4 Sn4 -","4","1","","Dey, Subhayan; Quail, J. Wilson; Müller, Jens","[2]Ferrocenophanes with Nitrogen in Bridging Positions","Organometallics","2015","34","12","3039","","10.1021/acs.organomet.5b00340","","","0.71073","MoKα","","0.0349","0.0253","","","0.047","0.0501","","","","","","1.038","","","","has coordinates,has disorder","236861","2020-10-21","18:00:00",""
"4087584","11.4235","0.0002","12.6093","0.0002","18.0686","0.0003","82.5839","0.0008","89.1893","0.0008","77.0839","0.0008","2515.28","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H62 N2 P Ta -","- C57 H62 N2 P Ta -","- C114 H124 N4 P2 Ta2 -","2","1","","Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.","Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative","Organometallics","2015","34","14","3546","","10.1021/acs.organomet.5b00344","","","0.71069","MoKα","","0.0424","0.031","","","0.0632","0.0672","","","","","","1.089","","","","has coordinates,has disorder","236862","2020-10-21","18:00:00",""
"4087585","11.4666","0.0005","12.4","0.0005","25.0796","0.0011","90","","99.4195","0.0012","90","","3517.9","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H48 N2 P Ta -","- C41 H48 N2 P Ta -","- C164 H192 N8 P4 Ta4 -","4","1","","Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.","Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative","Organometallics","2015","34","14","3546","","10.1021/acs.organomet.5b00344","","","0.71069","MoKα","","0.0218","0.0185","","","0.0394","0.0406","","","","","","1.0887","","","","has coordinates","236862","2020-10-21","18:00:00",""
"4087586","16.309","0.005","32.774","0.005","14.072","0.005","90","0.005","90.32","0.005","90","0.005","7522","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 N4 O0 P2 Ta2 -","- C76 H78 N4 P2 Ta2 -","- C304 H312 N16 P8 Ta8 -","4","0.5","","Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.","Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative","Organometallics","2015","34","14","3546","","10.1021/acs.organomet.5b00344","","","0.71069","MoKα","","0.0797","0.0467","","","0.1231","0.1415","","","","","","0.745","","","","has coordinates","236862","2020-10-21","18:00:00",""
"4087587","12.1271","0.0003","20.5083","0.0006","21.015","0.0005","90","","92.184","0.0012","90","","5222.8","0.2","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H74 N2 O P Si2 Ta -","- C57 H74 N2 O P Si2 Ta -","- C228 H296 N8 O4 P4 Si8 Ta4 -","4","1","","Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.","Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative","Organometallics","2015","34","14","3546","","10.1021/acs.organomet.5b00344","","","0.71073","MoKα","","0.0418","0.0255","","","0.0493","0.055","","","","","","1.002","","","","has coordinates","236862","2020-10-21","18:00:00",""
"4087588","11.2627","0.0005","12.398","0.0005","18.6084","0.0008","83.546","0.0009","89.9168","0.0009","78.3662","0.0009","2528.27","0.19","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H59 N2 P Si2 Ta -","- C46 H59 N2 P Si2 Ta -","- C92 H118 N4 P2 Si4 Ta2 -","2","1","","Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.","Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative","Organometallics","2015","34","14","3546","","10.1021/acs.organomet.5b00344","","","0.71073","MoKα","","0.0278","0.0228","","","0.0564","0.0579","","","","","","1.056","","","","has coordinates","236862","2020-10-21","18:00:00",""
"4087589","8.352","0.001","9.499","0.001","13.15","0.001","102.334","0.001","94.604","0.001","102.481","0.001","986.32","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cr N O3 Pd -","- C21 H21 Cr N O3 Pd -","- C42 H42 Cr2 N2 O6 Pd2 -","2","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.0606","0.0533","","","0.1114","0.1146","","","","","","1.208","","","","has coordinates,has disorder","236863","2020-10-21","18:00:00",""
"4087590","7.1911","0.0004","21.0851","0.0012","14.4066","0.0006","90","","113.355","0.002","90","","2005.43","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cr F N O3 Pd -","- C21 H20 Cr F N O3 Pd -","- C84 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71073","MoKα","","0.0396","0.0275","","","0.0576","0.0613","","","","","","1.025","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087591","29.849","0.003","12.0939","0.0013","17.43","0.0018","90","","114.094","0.002","90","","5743.9","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Cr N2 O3 Pd -","- C29 H30 Cr N2 O3 Pd -","- C232 H240 Cr8 N16 O24 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71073","MoKα","","0.1433","0.0708","","","0.1091","0.1277","","","","","","1.006","","","","has coordinates,has disorder","236863","2020-10-21","18:00:00",""
"4087592","8.286","0.001","11.934","0.001","16.148","0.001","90","","100.525","0.001","90","","1569.9","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H18 Cr2 D12 O6 Pd2 -","- C36 H18 Cr2 D12 O6 Pd2 -","- C72 H36 Cr4 D24 O12 Pd4 -","2","0.5","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.0458","0.0389","","","0.0813","0.0843","","","","","","1.178","","","","has coordinates,has disorder","236863","2020-10-21","18:00:00",""
"4087593","17.341","0.001","10.787","0.001","17.672","0.001","90","","90","","90","","3305.7","0.4","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 Pd -","- C18 H24 N2 Pd -","- C144 H192 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.0641","0.0427","","","0.0788","0.0906","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087594","11.0329","0.0004","17.2348","0.0011","17.9562","0.001","90","","90","","90","","3414.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F2 N2 Pd -","- C18 H22 F2 N2 Pd -","- C144 H176 F16 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71073","MoKα","","0.0839","0.0465","","","0.0751","0.0839","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087595","11.785","0.001","7.1","0.001","12.761","0.001","90","","95.859","0.001","90","","1062.18","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cr2 O6 -","- C24 H18 Cr2 O6 -","- C48 H36 Cr4 O12 -","2","0.5","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.1499","0.1337","","","0.356","0.3651","","","","","","1.031","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087596","32.002","0.009","9.214","0.002","21.695","0.006","90","","121.844","0.003","90","","5434","2","133","","133","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Fe2 N2 O6.5 S -","- C28 H20 Fe2 N2 O6.5 S -","- C224 H160 Fe16 N16 O52 S8 -","8","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu","Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction","Organometallics","2015","34","16","3988","","10.1021/acs.organomet.5b00366","","","0.710747","MoKα","","0.0713","0.0475","","","0.1002","0.1101","","","","","","1.059","","","","has coordinates,has disorder","236865","2020-10-21","18:00:00",""
"4087597","8.9864","0.0018","13.923","0.003","16.56","0.004","90","","103.214","0.003","90","","2017.1","0.8","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Fe2 N2 O5 S -","- C22 H12 Fe2 N2 O5 S -","- C88 H48 Fe8 N8 O20 S4 -","4","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu","Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction","Organometallics","2015","34","16","3988","","10.1021/acs.organomet.5b00366","","","0.710747","MoKα","","0.0484","0.0359","","","0.079","0.084","","","","","","1.036","","","","has coordinates","236865","2020-10-21","18:00:00",""
"4087598","12.8198","0.0019","13.4489","0.0018","18.317","0.003","90","","108.301","0.002","90","","2998.3","0.8","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Fe N2 O P2 S -","- C34 H34 Fe N2 O P2 S -","- C136 H136 Fe4 N8 O4 P8 S4 -","4","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu","Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction","Organometallics","2015","34","16","3988","","10.1021/acs.organomet.5b00366","","","0.710747","MoKα","","0.0472","0.0385","","","0.0953","0.1009","","","","","","1.067","","","","has coordinates","236865","2020-10-21","18:00:00",""
"4087599","13.764","0.003","15.811","0.003","14.069","0.003","90","","101.625","0.003","90","","2998.9","1.1","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Fe N2 O P2 S -","- C34 H34 Fe N2 O P2 S -","- C136 H136 Fe4 N8 O4 P8 S4 -","4","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu","Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction","Organometallics","2015","34","16","3988","","10.1021/acs.organomet.5b00366","","","0.710747","MoKα","","0.0635","0.0491","","","0.0969","0.1039","","","","","","1.095","","","","has coordinates","236865","2020-10-21","18:00:00",""
"4087600","27.492","0.007","15.535","0.003","19.897","0.005","90","","134.224","0.003","90","","6090","2","133","","133","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Fe N2 O P2 S -","- C34 H34 Fe N2 O P2 S -","- C272 H272 Fe8 N16 O8 P16 S8 -","8","1","","Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu","Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction","Organometallics","2015","34","16","3988","","10.1021/acs.organomet.5b00366","","","0.710747","MoKα","","0.0611","0.0486","","","0.1097","0.1169","","","","","","1.074","","","","has coordinates","236865","2020-10-21","18:00:00",""
"4087601","12.2237","0.0012","12.0044","0.0012","14.4492","0.0014","90","","106.051","0.005","90","","2037.6","0.4","121","1","121","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Be Cl -","- C10 H15 Be Cl -","- C80 H120 Be8 Cl8 -","8","2","","Naglav, Dominik; Tobey, Briac; Neumann, Anja; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis, Solid-State Structures, and Computational Studies of Half-Sandwich Cp*BeX (X = Cl, Br, I) Compounds","Organometallics","2015","34","12","3072","","10.1021/acs.organomet.5b00389","","","0.71073","MoKα","","0.0751","0.058","","","0.1606","0.1686","","","","","","1.237","","","","has coordinates","236868","2020-10-21","18:00:00",""
"4087602","7.9899","0.0003","11.5328","0.0005","12.394","0.0005","79.197","0.002","73.809","0.002","73.991","0.002","1046.64","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 Be Br -","- C10 H15 Be Br -","- C40 H60 Be4 Br4 -","4","2","","Naglav, Dominik; Tobey, Briac; Neumann, Anja; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis, Solid-State Structures, and Computational Studies of Half-Sandwich Cp*BeX (X = Cl, Br, I) Compounds","Organometallics","2015","34","12","3072","","10.1021/acs.organomet.5b00389","","","0.71073","MoKα","","0.0549","0.0357","","","0.0906","0.0979","","","","","","1.021","","","","has coordinates","236868","2020-10-21","18:00:00",""
"4087603","12.3237","0.0004","14.3029","0.0004","12.8","0.0004","90","","91.135","0.001","90","","2255.74","0.12","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Be I -","- C10 H15 Be I -","- C80 H120 Be8 I8 -","8","2","","Naglav, Dominik; Tobey, Briac; Neumann, Anja; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis, Solid-State Structures, and Computational Studies of Half-Sandwich Cp*BeX (X = Cl, Br, I) Compounds","Organometallics","2015","34","12","3072","","10.1021/acs.organomet.5b00389","","","0.71073","MoKα","","0.0476","0.0306","","","0.0651","0.075","","","","","","1.19","","","","has coordinates","236868","2020-10-21","18:00:00",""
"4087604","13.3463","0.0001","20.8617","0.0002","17.8625","0.0002","90","","94.8267","0.0004","90","","4955.76","0.08","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[IrCp*PO(OEt)2NC8H9][BArCl4]","","- C46 H46 B Cl8 Ir N O3 P -","- C46 H46 B Cl8 Ir N O3 P -","- C184 H184 B4 Cl32 Ir4 N4 O12 P4 -","4","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","","0.71073","MoKα","","0.0642","0.0355","","0.0762","0.0689","0.0762","","","","","","0.9155","","","","has coordinates","236869","2020-10-21","18:00:00",""
"4087605","10.829","0.0002","12.6902","0.0002","19.982","0.0004","91.0343","0.0007","97.3543","0.0007","98.1876","0.0008","2693.78","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ir2Cp*2H3][BArF4]","","- C52 H42 B F24 Ir2 -","- C52 H42 B F24 Ir2 -","- C104 H84 B2 F48 Ir4 -","2","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","","0.71073","MoKα","","0.0778","0.0433","","0.0944","0.084","0.0944","","","","","","0.9233","","","","has coordinates,has disorder","236869","2020-10-21","18:00:00",""
"4087606","12.3952","0.0019","15.021","0.002","18.869","0.003","71.324","0.003","80.182","0.003","84.966","0.003","3277.4","0.8","90","","90","","","","","","","","","9","P -1","-P 1","2","","","","- C66 H56 B F24 Ir N O3 P Si -","- C66 H56 B F24 Ir N O3 P Si -","- C132 H112 B2 F48 Ir2 N2 O6 P2 Si2 -","2","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","x-ray","0.71073","MoKα","","0.0438","0.038","","","0.0927","0.0966","","","","","","1.103","","","","has coordinates,has disorder","236869","2020-10-21","18:00:00",""
"4087607","17.9224","0.001","24.6821","0.0012","31.866","0.0016","90","","90","","90","","14096.3","1.3","90","","90","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65.04 H66.09 B Cl2 F24 Ir N3 O3.02 P -","- C65.036 H66.09 B Cl2 F24 Ir N3 O3.018 P -","- C520.288 H528.72 B8 Cl16 F192 Ir8 N24 O24.144 P8 -","8","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","","0.71073","MoKα","","0.0991","0.0499","","","0.0939","0.1113","","","","","","1.028","","","","has coordinates,has disorder","236869","2020-10-21","18:00:00",""
"4087608","10.1397","0.0003","19.5202","0.0008","14.3428","0.0006","90","","91.346","0.001","90","","2838.07","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl16 Ga6 O14 -","- C28 H42 Cl16 Ga6 O14 -","- C56 H84 Cl32 Ga12 O28 -","2","0.5","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0935","0.0703","","","0.1755","0.1926","","","","","","1.037","","","","has coordinates","236870","2020-10-21","18:00:00",""
"4087609","13.9506","0.0006","15.3484","0.0006","20.9664","0.001","90","","90","","90","","4489.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br12 Cl2 Ga4 O12 -","- C16 H26 Br12 Cl2 Ga4 O12 -","- C64 H104 Br48 Cl8 Ga16 O48 -","4","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.1584","0.0842","","","0.1951","0.2332","","","","","","1.016","","","","has coordinates","236871","2020-10-21","18:00:00",""
"4087610","15.6176","0.0013","13.6696","0.0009","17.6101","0.0014","90","","104.382","0.002","90","","3641.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 Br8 Cl2 Ga4 O10 -","- C15 H22 Br8 Cl2 Ga4 O10 -","- C60 H88 Br32 Cl8 Ga16 O40 -","4","0.5","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0857","0.0423","","","0.0716","0.0822","","","","","","1","","","","has coordinates","236873","2020-10-21","18:00:00",""
"4087611","25.1557","0.0003","25.1557","0.0003","14.7095","0.0004","90","","90","","90","","9308.3","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C21 H30 Br12 Ga4 O12 -","- C21 H30 Br12 Ga4 O12 -","- C168 H240 Br96 Ga32 O96 -","8","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0969","0.0468","","","0.08","0.095","","","","","","1.012","","","","has coordinates","236874","2020-10-21","18:00:00",""
"4087612","13.8249","0.001","14.802","0.0011","20.4605","0.0015","90","","90","","90","","4187","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl14 Ga4 O12 -","- C15 H24 Cl12 Ga4 O12 -","- C60 H96 Cl48 Ga16 O48 -","4","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0896","0.0625","","","0.1334","0.1414","","","","","","1.27","","","","has coordinates,has disorder","236876","2020-10-21","18:00:00",""
"4087613","15.1696","0.0004","13.4325","0.0003","17.4348","0.0004","90","","103.524","0.001","90","","3454.11","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 Cl10 Ga4 O10 -","- C15 H22 Cl10 Ga4 O10 -","- C60 H88 Cl40 Ga16 O40 -","4","0.5","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0382","0.0279","","","0.0641","0.0681","","","","","","1.018","","","","has coordinates","236877","2020-10-21","18:00:00",""
"4087614","11.0949","0.0008","8.8224","0.0006","17.5025","0.0012","90","","102.154","0.004","90","","1674.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl N2 O3 Re -","- C16 H18 Cl N2 O3 Re -","- C64 H72 Cl4 N8 O12 Re4 -","4","1","","Machan, Charles W.; Chabolla, Steven A.; Kubiak, Clifford P.","Reductive Disproportionation of Carbon Dioxide by an Alkyl-Functionalized Pyridine Monoimine Re(I) fac-Tricarbonyl Electrocatalyst","Organometallics","2015","34","19","4678","","10.1021/acs.organomet.5b00406","","","0.71073","MoKα","","0.0169","0.0154","","","0.0356","0.0362","","","","","","1.114","","","","has coordinates","236879","2020-10-21","18:00:00",""
"4087615","8.8632","0.0006","10.2659","0.0007","18.2859","0.0012","98.166","0.001","102.487","0.001","93.939","0.001","1599.45","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N5 P Zn -","- C35 H36 N5 P Zn -","- C70 H72 N10 P2 Zn2 -","2","1","","Mou, Zehuai; Xie, Hongyan; Wang, Meiyan; Liu, Na; Yao, Changguang; Li, Lei; Liu, Jingyao; Li, Shihui; Cui, Dongmei","Mononuclear Heteroscorpionate Zwitterionic Zinc Terminal Hydride: Synthesis, Reactivity, and Catalysis for Hydrosilylation of Aldehydes","Organometallics","2015","34","16","3944","","10.1021/acs.organomet.5b00413","","","0.71073","MoKα","","0.0624","0.0486","","","0.125","0.1471","","","","","","1.089","","","","has coordinates","236881","2020-10-21","18:00:00",""
"4087616","11.2018","0.0011","11.241","0.0011","16.5756","0.0016","93.588","0.002","103.759","0.002","109.323","0.002","1890.2","0.3","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 N5 O2 P S2 Zn -","- C38 H46 N5 O2 P S2 Zn -","- C76 H92 N10 O4 P2 S4 Zn2 -","2","1","","Mou, Zehuai; Xie, Hongyan; Wang, Meiyan; Liu, Na; Yao, Changguang; Li, Lei; Liu, Jingyao; Li, Shihui; Cui, Dongmei","Mononuclear Heteroscorpionate Zwitterionic Zinc Terminal Hydride: Synthesis, Reactivity, and Catalysis for Hydrosilylation of Aldehydes","Organometallics","2015","34","16","3944","","10.1021/acs.organomet.5b00413","","","0.71073","MoKα","","0.1272","0.0933","","","0.2486","0.2907","","","","","","1.041","","","","has coordinates","236881","2020-10-21","18:00:00",""
"4087617","9.6415","0.0003","15.7069","0.0005","18.6884","0.0006","99.4973","0.0017","91.1235","0.0019","92.877","0.002","2786.71","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 O P2 Pd -","- C28 H41.5 O P2 Pd -","- C112 H166 O4 P8 Pd4 -","4","2","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","1.54178","CuKα","","0.0916","0.0751","","","0.1962","0.2143","","","","","","1.05","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4087618","9.9324","0.0009","17.1096","0.0016","17.6073","0.0016","62.173","0.0012","81.5125","0.0013","89.5284","0.0013","2610.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 N P2 Pd -","- C27 H39 N P2 Pd -","- C108 H156 N4 P8 Pd4 -","4","2","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","0.71073","MoKα","","0.0448","0.0423","","","0.1022","0.1042","","","","","","1.071","","","","has coordinates,has disorder","236883","2020-10-21","18:00:00",""
"4087619","20.2923","0.0019","8.504","0.0008","17.8967","0.0017","90","","103.729","0.0013","90","","3000.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 P2 Pd -","- C33 H42 P2 Pd -","- C132 H168 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","0.71073","MoKα","","0.0495","0.046","","","0.1288","0.1317","","","","","","1.035","","","","has coordinates,has disorder","236883","2020-10-21","18:00:00",""
"4087620","9.8956","0.0009","11.5362","0.0011","15.984","0.0015","104.056","0.0015","100.665","0.0015","107.508","0.0014","1621","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H46 P2 Pd -","- C38 H46 P2 Pd -","- C76 H92 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","0.71073","MoKα","","0.0465","0.0403","","","0.0847","0.0867","","","","","","1.117","","","","has coordinates","236883","2020-10-21","18:00:00",""
"4087621","15.787","0.002","19.844","0.002","18.551","0.002","90","","94.406","0.003","90","","5794.4","1.1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 P3 Pd -","- C28 H47 P3 Pd -","- C224 H376 P24 Pd8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","0.71073","MoKα","","0.0374","0.0257","","","0.0532","0.0568","","","","","","1.024","","","","has coordinates","236883","2020-10-21","18:00:00",""
"4087622","9.059","0.0015","23.63","0.004","11.5744","0.0018","90","","92.664","0.003","90","","2475","0.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 P2 Pd -","- C25 H38 P2 Pd -","- C100 H152 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","C‒H Activation Reactions of a Nucleophilic Palladium Carbene","Organometallics","2015","34","19","4684","","10.1021/acs.organomet.5b00414","","","0.71073","MoKα","","0.0453","0.0388","","","0.0795","0.0812","","","","","","1.139","","","","has coordinates,has disorder","236883","2020-10-21","18:00:00",""
"4087623","16.6453","0.0013","18.6334","0.0015","23.6385","0.0019","90","","90","","90","","7331.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40.5 H52 O2.5 Os P2 -","- C40.5 H52 O2.5 Os P2 -","- C324 H416 O20 Os8 P16 -","8","1","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.0853","0.0541","","","0.0831","0.0919","","","","","","1.131","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087624","11.7401","0.0014","12.0479","0.0014","27.56","0.003","78.724","0.002","83.87","0.002","60.979","0.001","3342.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 O2 Os P2 -","- C37 H50 O2 Os P2 -","- C148 H200 O8 Os4 P8 -","4","2","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.0892","0.0599","","","0.1273","0.1369","","","","","","1.1","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087625","19.813","0.003","9.9286","0.0017","31.283","0.005","90","","90","","90","","6153.8","1.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H46 O2 P2 Ru -","- C31 H46 O2 P2 Ru -","- C248 H368 O16 P16 Ru8 -","8","2","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.1007","0.0595","","","0.1384","0.1602","","","","","","1.026","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087626","10.77","0.003","16.065","0.004","16.5","0.004","90","","103.089","0.004","90","","2780.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 O2 Os P2 -","- C28 H42 O2 Os P2 -","- C112 H168 O8 Os4 P8 -","4","1","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.074","0.0433","","","0.0927","0.1046","","","","","","0.959","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087627","17.4627","0.0007","22.0671","0.0009","9.047","0.0004","90","","90","","90","","3486.3","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H61 Cl N2 O3 Os P2 -","- C30 H61 Cl N2 O3 Os P2 -","- C120 H244 Cl4 N8 O12 Os4 P8 -","4","0.5","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0268","0.0215","","","0.046","0.0482","","","","","","1.04","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087628","9.0903","0.0004","18.0138","0.0008","22.3303","0.001","90","","90","","90","","3656.6","0.3","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C31 H61 Cl N2 O4 Os P2 -","- C31 H61 Cl N2 O4 Os P2 -","- C124 H244 Cl4 N8 O16 Os4 P8 -","4","0.5","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0334","0.0269","","","0.052","0.0548","","","","","","1.079","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087629","16.723","0.006","16.459","0.006","21.16","0.007","90","","90","","90","","5824","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cl N2 O3 Os P2 -","- C24 H49 Cl N2 O3 Os P2 -","- C192 H392 Cl8 N16 O24 Os8 P16 -","8","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.1372","0.0564","","","0.0972","0.1157","","","","","","0.974","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087630","11.2351","0.0006","14.6065","0.0008","21.784","0.0012","90","","90","","90","","3574.9","0.3","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C30 H63 Cl N2 O3 Os P2 -","- C30 H63 Cl N2 O3 Os P2 -","- C120 H252 Cl4 N8 O12 Os4 P8 -","4","0.25","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.0234","0.0228","","","0.0553","0.0556","","","","","","1.086","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087631","17.4714","0.0007","19.2175","0.0007","19.9534","0.0007","90","","90","","90","","6699.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 B10 Ir N2 P -","- C31 H42 B10 Ir N2 P -","- C248 H336 B80 Ir8 N16 P8 -","8","2","","Kim, Taewon; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","o-Carboranyl‒Phosphine as a New Class of Strong-Field Ancillary Ligand in Cyclometalated Iridium(III) Complexes: Toward Blue Phosphorescence","Organometallics","2015","34","14","3455","","10.1021/acs.organomet.5b00438","","","0.71073","MoKα","","0.0455","0.0359","","","0.0677","0.0713","","","","","","1.026","","","","has coordinates","236890","2020-10-21","18:00:00",""
"4087632","10.4084","0.0004","10.7671","0.0005","18.4347","0.0008","98.289","0.003","90.279","0.003","114.619","0.003","1853.68","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H40 B10 Cl2 F4 Ir N2 P -","- C32 H40 B10 Cl2 F4 Ir N2 P -","- C64 H80 B20 Cl4 F8 Ir2 N4 P2 -","2","1","","Kim, Taewon; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","o-Carboranyl‒Phosphine as a New Class of Strong-Field Ancillary Ligand in Cyclometalated Iridium(III) Complexes: Toward Blue Phosphorescence","Organometallics","2015","34","14","3455","","10.1021/acs.organomet.5b00438","","","0.71073","MoKα","","0.0639","0.0529","","","0.1425","0.1483","","","","","","1.079","","","","has coordinates","236890","2020-10-21","18:00:00",""
"4087633","18.289","0.005","15.117","0.004","33.538","0.01","90","","101.814","0.003","90","","9076","4","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C80 H104 Cl2 Fe2 O4 S4 Y2 -","- C80 H104 Cl2 Fe2 O4 S4 Y2 -","- C320 H416 Cl8 Fe8 O16 S16 Y8 -","4","1","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.0671","0.046","","","0.1179","0.1258","","","","","","1.04","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4087634","10.523","0.004","26.078","0.009","20.629","0.007","90","","95.561","0.004","90","","5634","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H73 Fe O3 S2 Y -","- C54 H73 Fe O3 S2 Y -","- C216 H292 Fe4 O12 S8 Y4 -","4","1","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.07","0.0603","","","0.1548","0.1606","","","","","","1.079","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4087635","27.634","0.005","27.634","0.005","15.656","0.003","90","","90","","90","","11956","4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C54 H66 Fe K O2 S2 Y -","- C54 H66 Fe K O2 S2 Y -","- C432 H528 Fe8 K8 O16 S16 Y8 -","8","1","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.0529","0.0441","","","0.1151","0.1201","","","","","","0.983","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4087636","16.145","0.005","16.399","0.005","18.23","0.006","90","","90","","90","","4827","3","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C48 H70 Fe K O4 S2 Y -","- C48 H70 Fe K O4 S2 Y -","- C192 H280 Fe4 K4 O16 S8 Y4 -","4","0.5","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.0603","0.0569","","","0.1509","0.1524","","","","","","1.072","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4087637","15.6921","0.0012","8.2846","0.0006","16.2955","0.001","90","","101.533","0.007","90","","2075.7","0.3","110","0.1","110","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Fe2 N2 O4 S -","- C24 H18 Fe2 N2 O4 S -","- C96 H72 Fe8 N8 O16 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0389","0.0306","","","0.0694","0.073","","","","","","1.035","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087638","20.1203","0.0008","17.7202","0.0007","12.657","0.0005","90","","90","","90","","4512.7","0.3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H30 Fe2 N2 S -","- C28 H30 Fe2 N2 S -","- C224 H240 Fe16 N16 S8 -","8","0.5","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0268","0.0253","","","0.0584","0.059","","","","","","1.079","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087639","11.3226","0.0006","13.716","0.0007","12.9074","0.0006","90","","93.875","0.005","90","","1999.95","0.17","109.9","0.2","109.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe2 N2 S -","- C26 H20 Fe2 N2 S -","- C104 H80 Fe8 N8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0728","0.0588","","","0.1407","0.1483","","","","","","1.061","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087640","19.8701","0.0005","17.2782","0.0005","12.7919","0.0004","90","","90","","90","","4391.7","0.2","110.1","0.14","110","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H28 Fe2 N2 S -","- C28 H28 Fe2 N2 S -","- C224 H224 Fe16 N16 S8 -","8","0.5","","Speck, J. Matthäus; Korb, Marcus; Schade, Alexander; Spange, Stefan; Lang, Heinrich","Ferrocenes Bridged by Ethylenediamino Thiophene: Varying Charge Transfer Properties in a Series of 3,4-Di-N-substituted 2,5-Diferrocenyl Thiophenes","Organometallics","2015","34","15","3788","","10.1021/acs.organomet.5b00450","","","0.71073","MoKα","","0.0239","0.0224","","","0.0494","0.0498","","","","","","1.063","","","","has coordinates","236894","2020-10-21","18:00:00",""
"4087641","12.422","0.005","16.469","0.007","21.131","0.009","90","","102.299","0.007","90","","4224","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 N2 Th -","- C46 H70 N2 Th -","- C184 H280 N8 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0633","0.0391","","","0.0719","0.0797","","","","","","0.974","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087642","22.236","0.004","10.616","0.0019","18.322","0.003","90","","90","","90","","4325","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H70 N2 O Th -","- C46 H70 N2 O Th -","- C184 H280 N8 O4 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0435","0.0325","","","0.0712","0.0756","","","","","","1.041","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087643","10.681","0.003","20.702","0.006","20.516","0.006","90","","101.729","0.006","90","","4442","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N2 O Th -","- C47 H72 N2 O Th -","- C188 H288 N8 O4 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0436","0.0313","","","0.0656","0.0698","","","","","","1.033","","","","has coordinates,has disorder","236896","2020-10-21","18:00:00",""
"4087644","13.205","0.0019","18.116","0.003","19.834","0.003","90","","90","","90","","4744.7","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H76 N2 Th -","- C53 H76 N2 Th -","- C212 H304 N8 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.054","0.0414","","","0.0691","0.0738","","","","","","0.924","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087645","11.5342","0.001","19.9503","0.0017","20.4889","0.0016","90","","107.25","0.004","90","","4502.6","0.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H80 B N Th -","- C49 H80 B N Th -","- C196 H320 B4 N4 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0331","0.0252","","","0.0572","0.06","","","","","","1.029","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087646","31.36","0.005","14.662","0.002","21.476","0.003","90","","111.577","0.002","90","","9183","2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H72 Cl N Si Th -","- C47 H72 Cl N Si Th -","- C376 H576 Cl8 N8 Si8 Th8 -","8","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0363","0.0269","","","0.0562","0.059","","","","","","1.008","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087647","12.607","0.004","17.765","0.006","18.883","0.006","90","","107.163","0.006","90","","4041","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 N Se2 Th -","- C41 H65 N Se2 Th -","- C164 H260 N4 Se8 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0585","0.0417","","","0.0969","0.1039","","","","","","1.035","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087648","10.43","0.003","11.928","0.004","12.973","0.004","69.921","0.005","86.661","0.006","66.213","0.005","1381","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H82 N2 Se2 Th2 -","- C60 H82 N2 Se2 Th2 -","- C60 H82 N2 Se2 Th2 -","1","0.5","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.0403","0.0358","","","0.0858","0.095","","","","","","1.046","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087649","10.68","0.011","39.74","0.04","11.886","0.009","90","","119.88","0.06","90","","4374","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H73 N O2 Th -","- C46 H73 N O2 Th -","- C184 H292 N4 O8 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.1351","0.0893","","","0.197","0.2187","","","","","","1.035","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087650","17.625","0.005","11.958","0.003","17.929","0.005","90","","105.541","0.007","90","","3640.6","1.7","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl F6 Mn N5 O3 P -","- C37 H28 Cl F6 Mn N5 O3 P -","- C148 H112 Cl4 F24 Mn4 N20 O12 P4 -","4","1","","Simpson, Peter V.; Nagel, Christoph; Bruhn, Heike; Schatzschneider, Ulrich","Antibacterial and Antiparasitic Activity of Manganese(I) Tricarbonyl Complexes with Ketoconazole, Miconazole, and Clotrimazole Ligands","Organometallics","2015","34","15","3809","","10.1021/acs.organomet.5b00458","","","0.71073","MoKα","","0.1146","0.0575","","","0.1392","0.1751","","","","","","1.0205","","","","has coordinates","236899","2020-10-21","18:00:00",""
"4087651","7.0176","0.0003","16.0517","0.0007","10.6927","0.0005","90","","98.737","0.0011","90","","1190.5","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1734 2-Bromo-1,3-diiodoferrocene at 100K","2-Bromo-1,3-diiodoferrocene","","- C10 H7 Br Fe I2 -","- C10 H7 Br Fe I2 -","- C40 H28 Br4 Fe4 I8 -","4","1","","Zirakzadeh, Afrooz; Herlein, Alexander; Groß, Manuela A; Mereiter, Kurt; Wang, Yaping; Weissensteiner, Walter","Halide-Mediated <i>Ortho</i>-Deprotonation Reactions Applied to the Synthesis of 1,2- and 1,3-Disubstituted Ferrocene Derivatives.","Organometallics","2015","34","15","3820","3832","10.1021/acs.organomet.5b00464","","","0.71073","MoKα","","0.0158","0.0151","","","0.0302","0.0304","","","","","","1.231","","","","has coordinates","236901","2020-10-21","18:00:00",""
"4087652","13.1847","0.0012","12.6343","0.0011","32.543","0.003","90","","90.657","0.001","90","","5420.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65 N4 O Si Y -","- C50 H65 N4 O Si Y -","- C200 H260 N16 O4 Si4 Y4 -","4","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.1247","0.0551","","","0.1005","0.1105","","","","","","1.056","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087653","12.9232","0.0014","12.8165","0.0014","14.9805","0.0017","90","","102.845","0.001","90","","2419.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Er N4 O Si -","- C50 H65 Er N4 O Si -","- C100 H130 Er2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0357","0.0263","","","0.0518","0.0554","","","","","","1.036","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087654","12.9165","0.0012","12.8136","0.0012","14.9475","0.0013","90","","102.725","0.001","90","","2413.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 N4 O Si Yb -","- C50 H65 N4 O Si Yb -","- C100 H130 N8 O2 Si2 Yb2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.034","0.0276","","","0.0603","0.0632","","","","","","1.044","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087655","12.9486","0.0009","12.8192","0.0009","15.0317","0.0011","90","","103.153","0.001","90","","2429.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Gd N4 O Si -","- C50 H65 Gd N4 O Si -","- C100 H130 Gd2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0337","0.0257","","","0.0517","0.0545","","","","","","1.038","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087656","12.9366","0.0008","12.8062","0.0008","14.9936","0.0009","90","","103.015","0.001","90","","2420.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Dy N4 O Si -","- C50 H65 Dy N4 O Si -","- C100 H130 Dy2 N8 O2 Si2 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0706","0.0397","","","0.0548","0.0611","","","","","","1.045","","","","has coordinates,has disorder","236903","2020-10-21","18:00:00",""
"4087657","16.1585","0.0009","17.4664","0.001","19.5796","0.0011","90","","90.064","0.001","90","","5526","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H69 N6 Sm -","- C63 H69 N6 Sm -","- C252 H276 N24 Sm4 -","4","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0804","0.0354","","","0.0712","0.0853","","","","","","0.989","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087658","13.7743","0.001","19.7953","0.0015","30.5","0.002","90","","90.439","0.001","90","","8316.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H94 N8 Y2 -","- C84 H94 N8 Y2 -","- C336 H376 N32 Y8 -","4","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.1573","0.0551","","","0.095","0.1057","","","","","","1","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087659","13.7561","0.001","19.8131","0.0014","30.448","0.002","90","","90.292","0.001","90","","8298.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H94 Er2 N8 -","- C84 H94 Er2 N8 -","- C336 H376 Er8 N32 -","4","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0956","0.0459","","","0.0914","0.1026","","","","","","0.947","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087660","13.171","0.003","19.879","0.004","25.005","0.005","90","","90.849","0.004","90","","6546","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H81 N6 Y -","- C67 H81 N6 Y -","- C268 H324 N24 Y4 -","4","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.1339","0.0649","","","0.141","0.1582","","","","","","0.995","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087661","13.0375","0.0009","14.9016","0.0011","17.0671","0.0012","94.129","0.001","92.772","0.001","91.533","0.001","3301.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H81 Er N6 -","- C67 H81 Er N6 -","- C134 H162 Er2 N12 -","2","1","","Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong","Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization","Organometallics","2015","34","17","4251","","10.1021/acs.organomet.5b00467","","","0.71073","MoKα","","0.0383","0.0305","","","0.0778","0.0809","","","","","","0.985","","","","has coordinates","236903","2020-10-21","18:00:00",""
"4087662","12.127","0.004","12.565","0.004","21.799","0.008","90","","97.189","0.01","90","","3295.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N4 O4 Ti -","- C39 H38 N4 O4 Ti -","- C156 H152 N16 O16 Ti4 -","4","1","","Chong, Eugene; Xue, Wei; Storr, Tim; Kennepohl, Pierre; Schafer, Laurel L.","Pyridonate-Supported Titanium(III). Benzylamine as an Easy-To-Use Reductant","Organometallics","2015","34","20","4941","","10.1021/acs.organomet.5b00469","","x-ray","0.71073","MoKα","","0.0445","0.0361","","","0.092","0.0972","","","","","","1.043","","","","has coordinates","236905","2020-10-21","18:00:00",""
"4087663","11.7413","0.0008","24.558","0.002","14.764","0.001","90","","113.209","0.003","90","","3912.6","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 N5 O3 Ti -","- C47 H42 N5 O3 Ti -","- C188 H168 N20 O12 Ti4 -","4","1","","Chong, Eugene; Xue, Wei; Storr, Tim; Kennepohl, Pierre; Schafer, Laurel L.","Pyridonate-Supported Titanium(III). Benzylamine as an Easy-To-Use Reductant","Organometallics","2015","34","20","4941","","10.1021/acs.organomet.5b00469","","x-ray","0.71073","MoKα","","0.0693","0.0439","","","0.0872","0.0961","","","","","","1.033","","","","has coordinates","236905","2020-10-21","18:00:00",""
"4087664","8.5881","0.0004","12.7845","0.0006","19.5964","0.0008","96.3761","0.0015","90.3364","0.0015","104.861","0.0016","2065.42","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 O6 Ti -","- C48 H60 O6 Ti -","- C96 H120 O12 Ti2 -","2","1","","Nguyen, Trang T.; Bertke, Jeffery A.; Gray, Danielle L.; Hull, Kami L.","Facile C‒H, C‒F, C‒Cl, and C‒C Activation by Oxatitanacyclobutene Complexes","Organometallics","2015","34","17","4190","","10.1021/acs.organomet.5b00470","","","0.71073","MoKα","","0.0423","0.0391","","","0.0992","0.102","","","","","","1.066","","","","has coordinates,has disorder","236907","2020-10-21","18:00:00",""
"4087665","11.695","0.002","14.142","0.002","17.854","0.003","90.607","0.008","98.046","0.009","97.865","0.009","2895","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.26 H71.47 F6 O7 Ti -","- C66.264 H71.472 F6 O7 Ti -","- C132.528 H142.944 F12 O14 Ti2 -","2","1","","Nguyen, Trang T.; Bertke, Jeffery A.; Gray, Danielle L.; Hull, Kami L.","Facile C‒H, C‒F, C‒Cl, and C‒C Activation by Oxatitanacyclobutene Complexes","Organometallics","2015","34","17","4190","","10.1021/acs.organomet.5b00470","","","0.71073","MoKα","","0.0619","0.0481","","","0.1209","0.1309","","","","","","1.028","","","","has coordinates,has disorder","236907","2020-10-21","18:00:00",""
"4087666","7.5108","0.0004","11.2738","0.0005","21.4377","0.0011","93.8914","0.0019","92.505","0.002","92.18","0.002","1807.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H51 F3 O3 Ti -","- C37 H43 F3 O3 Ti -","- C74 H86 F6 O6 Ti2 -","2","1","","Nguyen, Trang T.; Bertke, Jeffery A.; Gray, Danielle L.; Hull, Kami L.","Facile C‒H, C‒F, C‒Cl, and C‒C Activation by Oxatitanacyclobutene Complexes","Organometallics","2015","34","17","4190","","10.1021/acs.organomet.5b00470","","","0.71073","MoKα","","0.0579","0.0491","","","0.1239","0.1283","","","","","","1.104","","","","has coordinates","236907","2020-10-21","18:00:00",""
"4087667","12.4145","0.0009","18.8131","0.0012","21.1906","0.0015","110.41","0.002","103.088","0.003","103.45","0.002","4246.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88.34 H106 B F20 N2 O5.5 Zr -","- C88.3315 H105.996 B F20 N2 O5.5 Zr -","- C176.663 H211.991 B2 F40 N4 O11 Zr2 -","2","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Mechanistic Insights on the Controlled Switch from Oligomerization to Polymerization of 1-Hexene Catalyzed by an NHC-Zirconium Complex","Organometallics","2015","34","19","4707","","10.1021/acs.organomet.5b00472","","","0.71073","MoKα","","0.0671","0.0521","","","0.1274","0.1355","","","","","","1.055","","","","has coordinates,has disorder","236908","2020-10-21","18:00:00",""
"4087668","11.86","0.0007","38.051","0.002","17.0394","0.001","90","","105.328","0.003","90","","7416.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76.28 H79.28 B F20 N2 O3.28 P1.72 Zr -","- C76.28 H79.28 B F20 N2 O3.28 P1.72 Zr -","- C305.12 H317.12 B4 F80 N8 O13.12 P6.88 Zr4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Mechanistic Insights on the Controlled Switch from Oligomerization to Polymerization of 1-Hexene Catalyzed by an NHC-Zirconium Complex","Organometallics","2015","34","19","4707","","10.1021/acs.organomet.5b00472","","","0.71073","MoKα","","0.0553","0.0443","","","0.0914","0.0962","","","","","","1.165","","","","has coordinates,has disorder","236908","2020-10-21","18:00:00",""
"4087669","28.8065","0.0014","12.4472","0.0006","28.8024","0.0014","90","","118.044","0.003","90","","9114.8","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BA-24","","","- C34 H38 Co4 O12 Si4 -","- C34 H38 Co4 O12 Si4 -","- C272 H304 Co32 O96 Si32 -","8","2","","Melikyan, Gagik G.; Anker, Bryan","Radical Reactions of 1,4-Alkadiynes: Metal Coordination as an Effective Tool for Controlling the Regio- and Stereoselectivity of the C‒C Bond Formation","Organometallics","2015","34","17","4194","","10.1021/acs.organomet.5b00480","","","0.71073","MoKα","","0.0847","0.0635","","","0.1483","0.1572","","","","","","1.067","","","","has coordinates,has disorder","236910","2020-10-21","18:00:00",""
"4087670","8.306","0.0019","12.205","0.003","12.335","0.003","119.41","0.002","96.267","0.003","98.328","0.003","1054","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","ipr(POCOP)IrHCl","","","- C36 H64 Cl2 Ir2 O4 P4 -","- C36 H64 Cl2 Ir2 O4 P4 -","- C36 H64 Cl2 Ir2 O4 P4 -","1","0.5","","Mucha, Neil T.; Waterman, Rory","Iridium Pincer Catalysts for Silane Dehydrocoupling: Ligand Effects on Selectivity and Activity","Organometallics","2015","34","15","3865","","10.1021/acs.organomet.5b00486","","","0.71073","MoKα","","0.0391","0.0342","","","0.0887","0.092","","","","","","1.079","","","","has coordinates","236912","2020-10-21","18:00:00",""
"4087671","34.451","0.003","11.035","0.0009","14.4669","0.0012","90","","90","","90","","5499.8","0.8","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","p-NMe2tbu(POCOP)IrHCl","","","- C24 H45 Cl Ir N O2 P2 -","- C24 H45 Cl Ir N O2 P2 -","- C192 H360 Cl8 Ir8 N8 O16 P16 -","8","1","","Mucha, Neil T.; Waterman, Rory","Iridium Pincer Catalysts for Silane Dehydrocoupling: Ligand Effects on Selectivity and Activity","Organometallics","2015","34","15","3865","","10.1021/acs.organomet.5b00486","","","0.71073","MoKα","","0.0238","0.0195","","","0.0372","0.0401","","","","","","1.107","","","","has coordinates","236913","2020-10-21","18:00:00",""
"4087672","10.6097","0.0014","26.515","0.004","20.822","0.003","90","","91.087","0.002","90","","5856.5","1.4","135","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-COOMetbu(POCOP)IrHCl","","","- C24 H42 Cl Ir O4 P2 -","- C24 H42 Cl Ir O4 P2 -","- C192 H336 Cl8 Ir8 O32 P16 -","8","2","","Mucha, Neil T.; Waterman, Rory","Iridium Pincer Catalysts for Silane Dehydrocoupling: Ligand Effects on Selectivity and Activity","Organometallics","2015","34","15","3865","","10.1021/acs.organomet.5b00486","","","0.71073","MoKα","","0.0443","0.0301","","","0.0609","0.0657","","","","","","1.019","","","","has coordinates","236915","2020-10-21","18:00:00",""
"4087673","9.8695","0.0006","11.3999","0.0007","5.6115","0.0003","90","","90","","90","","631.36","0.06","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- C6 Ag F5 -","- C6 Ag F5 -","- C24 Ag4 F20 -","4","0.25","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0264","0.0176","","","0.04","0.0438","","","","","","1.079","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087674","12.695","0.0004","20.5995","0.0007","14.3779","0.0005","90","","93.563","0.002","90","","3752.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H16 Ag4 F20 -","- C38 H16 Ag4 F20 -","- C152 H64 Ag16 F80 -","4","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0898","0.0412","","","0.0748","0.0916","","","","","","1.007","","","","has coordinates,has disorder","236917","2020-10-21","18:00:00",""
"4087675","11.0027","0.0004","12.3217","0.0005","14.6078","0.0006","76.266","0.002","89.081","0.002","89.402","0.002","1923.49","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 Ag4 F20 -","- C40 H20 Ag4 F20 -","- C80 H40 Ag8 F40 -","2","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0264","0.0199","","","0.0437","0.0463","","","","","","1.027","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087676","24.5615","0.0007","11.7306","0.0004","21.5206","0.001","90","","122.327","0.001","90","","5239.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 Ag4 F20 -","- C56 H40 Ag4 F20 -","- C224 H160 Ag16 F80 -","4","0.5","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0487","0.0305","","","0.0611","0.0685","","","","","","1.023","","","","has coordinates,has disorder","236917","2020-10-21","18:00:00",""
"4087677","11.0562","0.0003","27.5998","0.0009","13.8317","0.0004","90","","110.796","0.001","90","","3945.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 Ag4 F20 -","- C40 H20 Ag4 F20 -","- C160 H80 Ag16 F80 -","4","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0464","0.0299","","","0.0579","0.0639","","","","","","1.087","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087678","10.9566","0.0007","12.6308","0.0008","15.6695","0.001","103.214","0.003","110.075","0.003","92.379","0.003","1965.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 Ag4 F20 -","- C40 H20 Ag4 F20 -","- C80 H40 Ag8 F40 -","2","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0493","0.0303","","","0.0615","0.0703","","","","","","1.014","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087679","11.596","0.0002","13.4778","0.0002","20.1656","0.0003","86.366","0.001","75.371","0.001","67.505","0.001","2815.51","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 Ag4 F20 -","- C60 H48 Ag4 F20 -","- C120 H96 Ag8 F40 -","2","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0996","0.0418","","","0.0677","0.0828","","","","","","1.004","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087680","9.0401","0.0015","11.2194","0.0019","11.3849","0.0019","64.562","0.007","83.332","0.007","83.393","0.008","1033","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H24 Ag4 F20 -","- C42 H24 Ag4 F20 -","- C42 H24 Ag4 F20 -","1","0.5","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0362","0.0258","","","0.0589","0.0664","","","","","","1.041","","","","has coordinates,has disorder","236917","2020-10-21","18:00:00",""
"4087681","15.4856","0.0004","15.4856","0.0004","11.8338","0.0004","90","","90","","90","","2837.79","0.14","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C60 H48 Ag4 F20 -","- C60 H48 Ag4 F20 -","- C120 H96 Ag8 F40 -","2","0.25","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0773","0.0316","","","0.0575","0.0736","","","","","","1.035","","","","has coordinates,has disorder","236917","2020-10-21","18:00:00",""
"4087682","11.6679","0.0003","27.0754","0.0008","13.9051","0.0004","90","","108.976","0.001","90","","4154.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Ag4 F20 -","- C42 H24 Ag4 F20 -","- C168 H96 Ag16 F80 -","4","1","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0484","0.0366","","","0.0742","0.0795","","","","","","1.162","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087683","11.7064","0.0002","20.1576","0.0004","9.1518","0.0002","90","","90.138","0.001","90","","2159.57","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Ag4 F20 -","- C44 H28 Ag4 F20 -","- C88 H56 Ag8 F40 -","2","0.5","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0294","0.0219","","","0.0502","0.0532","","","","","","1.053","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087684","20.7876","0.0007","15.0763","0.0005","16.6117","0.0005","90","","94.37","0.002","90","","5191","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Ag4 F20 -","- C52 H46 Ag4 F20 -","- C208 H184 Ag16 F80 -","4","0.5","","Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander","Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates","Organometallics","2015","34","15","3893","","10.1021/acs.organomet.5b00492","","","0.71073","MoKα","","0.0757","0.0376","","","0.0652","0.077","","","","","","1.004","","","","has coordinates","236917","2020-10-21","18:00:00",""
"4087685","10.3395","0.0005","14.6201","0.0003","19.9465","0.0009","90","","98.291","0.004","90","","2983.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 Ir O2 P2 -","- C30 H51 Ir O2 P2 -","- C120 H204 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Wendt, Ola F.","Iridium Pincer Complexes with an Olefin Backbone","Organometallics","2015","34","17","4262","","10.1021/acs.organomet.5b00495","","","0.71073","MoKα","","0.0509","0.0339","","","0.1051","0.1122","","","","","","1.383","","","","has coordinates","236920","2020-10-21","18:00:00",""
"4087686","10.7318","0.0009","14.6952","0.001","19.8699","0.0019","90","","98.409","0.008","90","","3099.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 Ir O3 P2 -","- C25 H47 Ir O3 P2 -","- C100 H188 Ir4 O12 P8 -","4","1","","Polukeev, Alexey V.; Wendt, Ola F.","Iridium Pincer Complexes with an Olefin Backbone","Organometallics","2015","34","17","4262","","10.1021/acs.organomet.5b00495","","","0.71073","MoKα","","0.0764","0.0502","","","0.1203","0.1309","","","","","","1.112","","","","has coordinates","236920","2020-10-21","18:00:00",""
"4087687","29.614","0.004","5.7191","0.0007","25.299","0.003","90","","108.331","0.006","90","","4067.3","0.9","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 P Ru2 -","- C24 H27 P Ru2 -","- C192 H216 P8 Ru16 -","8","1","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0469","0.0417","","","0.0993","0.1009","","","","","","1.14","","","","has coordinates","236922","2020-10-21","18:00:00",""
"4087688","5.778","0.003","27.701","0.019","12.417","0.009","90","","100.311","0.017","90","","1955","2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20.5 Cl3 P0.5 Ru1.5 -","- C19 H20.5 Cl3 P0.5 Ru1.5 -","- C76 H82 Cl12 P2 Ru6 -","4","2","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0625","0.0453","","","0.0847","0.0909","","","","","","1.06","","","","has coordinates,has disorder","236922","2020-10-21","18:00:00",""
"4087689","11.19","0.002","11.696","0.004","11.888","0.005","84.94","0.02","83.442","0.018","74.634","0.013","1487.7","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Fe2 P Ru -","- C36 H39 Fe2.0031 P Ru0.9969 -","- C72 H78 Fe4.0062 P2 Ru1.9938 -","2","1","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0496","0.0353","","","0.0755","0.0802","","","","","","1.044","","","","has coordinates,has disorder","236922","2020-10-21","18:00:00",""
"4087690","32.299","0.01","5.6826","0.0012","24.943","0.007","90","","116.23","0.02","90","","4107","2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Fe P Ru -","- C24 H27 Fe1.001 P Ru0.999 -","- C192 H216 Fe8.008 P8 Ru7.992 -","8","1","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0576","0.0433","","","0.097","0.1035","","","","","","1.071","","","","has coordinates,has disorder","236922","2020-10-21","18:00:00",""
"4087691","11.188","0.002","11.744","0.004","11.936","0.004","84.99","0.02","84.428","0.015","74.283","0.01","1499.5","0.8","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 Fe P Ru2 -","- C36 H39 Fe1.0013 P Ru1.9987 -","- C72 H78 Fe2.0026 P2 Ru3.9974 -","2","1","","Kenaree, Amir Rabiee; Cuthbert, Tyler J.; Barbon, Stephanie M.; Boyle, Paul D.; Gillies, Elizabeth R.; Ragogna, Paul J.; Gilroy, Joe B.","Synthesis and Characterization of a Family of Air-Stable Ferrocene- and Ruthenocene-Containing Primary, Secondary, and Tertiary Phosphines","Organometallics","2015","34","17","4272","","10.1021/acs.organomet.5b00496","","","0.71073","MoKα","","0.0789","0.0452","","","0.0806","0.0912","","","","","","0.99","","","","has coordinates,has disorder","236922","2020-10-21","18:00:00",""
"4087692","10.728","0.005","12.357","0.006","12.615","0.006","89.055","0.008","81.542","0.008","79.494","0.008","1626.3","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H31 Co N2 O -","- C43 H31 Co N2 O -","- C86 H62 Co2 N4 O2 -","2","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.0397","0.0359","","","0.0934","0.0999","","","","","","1.091","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087693","9.4178","0.0018","11.198","0.002","19.541","0.004","105.394","0.004","94.066","0.004","98.241","0.004","1953.5","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Co N3 O Pd -","- C45 H32 Co N3 O Pd -","- C90 H64 Co2 N6 O2 Pd2 -","2","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.1199","0.0809","","","0.1825","0.1969","","","","","","1.061","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087694","10.3479","0.0017","11.5253","0.0019","11.7635","0.0019","90.541","0.003","97.093","0.003","114.789","0.003","1261","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Fe N3 O5 Pd -","- C26 H25 Fe N3 O5 Pd -","- C52 H50 Fe2 N6 O10 Pd2 -","2","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.0751","0.0598","","","0.1206","0.126","","","","","","1.165","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087695","15.5428","0.0016","18.4081","0.0019","23.353","0.002","90","","90","","90","","6681.6","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H35 Co N2 O -","- C45 H35 Co N2 O -","- C360 H280 Co8 N16 O8 -","8","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.0963","0.0866","","","0.1645","0.1687","","","","","","1.348","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087696","13.4488","0.0009","21.3636","0.0015","24.1495","0.0016","90","","90","","90","","6938.5","0.8","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 B Mo N9 O4 -","- C32 H42 B Mo N9 O4 -","- C256 H336 B8 Mo8 N72 O32 -","8","1","","Myers, Jeffery T.; Shivokevich, Philip J.; Pienkos, Jared A.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent","Organometallics","2015","34","14","3648","","10.1021/acs.organomet.5b00509","","","0.71073","MoKα","","0.0534","0.0379","","","0.0959","0.1072","","","","","","1.054","","","","has coordinates","236926","2020-10-21","18:00:00",""
"4087697","11.571","0.002","14.669","0.003","12.083","0.002","90","","115.56","0.03","90","","1850.2","0.7","110.15","","110.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H50 Cl3 D F6 O4 P2 Pd -","- C29 H50 Cl3 D F6 O4 P2 Pd -","- C58 H100 Cl6 D2 F12 O8 P4 Pd2 -","2","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.71073","MoKα","","0.0297","0.0293","","","0.0643","0.0645","","","","","","1.149","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087698","29.181","0.006","18.749","0.004","16.231","0.003","90","","94.14","0.03","90","","8857","3","110.15","","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 F6 O4 P2 Pd -","- C24 H42 F6 O4 P2 Pd -","- C288 H504 F72 O48 P24 Pd12 -","12","1.5","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.71073","MoKα","","0.051","0.0499","","","0.1229","0.1238","","","","","","1.232","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087699","17.232","0.003","11.631","0.002","16.135","0.003","90","","90","","90","","3233.9","1","110.15","","110.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H46 F6 O4 P2 Pd Si -","- C24 H46 F6 O4 P2 Pd Si -","- C96 H184 F24 O16 P8 Pd4 Si4 -","4","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.71073","MoKα","","0.0324","0.0313","","","0.0791","0.081","","","","","","1.082","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087700","11.779","0.002","15.373","0.002","12.107","0.002","90","","118.184","0.002","90","","1932.4","0.5","110.15","","110.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H52 F6 O4 P2 Pd -","- C38 H52 F6 O4 P2 Pd -","- C76 H104 F12 O8 P4 Pd2 -","2","1","","Low, Choon Heng; Nobbs, James D.; van Meurs, Martin; Stubbs, Ludger P.; Drent, Eite; Aitipamula, Srinivasulu; Pung, Michelle H. L.","Palladium Complexes with Bulky Diphosphine Ligands as Highly Selective Catalysts for the Synthesis of (Bio-) Adipic Acid from Pentenoic Acid Mixtures.","Organometallics","2015","34","17","4281","","10.1021/acs.organomet.5b00517","","","0.7107","MoKα","","0.0375","0.0364","","","0.0791","0.0801","","","","","","1.073","","","","has coordinates","236927","2020-10-21","18:00:00",""
"4087701","14.617","0.0008","14.9975","0.0008","21.2515","0.0012","70.619","0.003","89.292","0.004","85.567","0.003","4381.1","0.4","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C112 H114 N Nb O2 P -","- C112 H114 N Nb O2 P -","- C224 H228 N2 Nb2 O4 P2 -","2","1","","Searles, Keith; Carroll, Patrick J.; Mindiola, Daniel J.","Anionic and Mononuclear Phosphinidene and Imide Complexes of Niobium","Organometallics","2015","34","19","4641","","10.1021/acs.organomet.5b00518","","","0.71073","MoKα","","0.1901","0.0779","","","0.1607","0.2082","","","","","","1.019","","","","has coordinates,has disorder","236929","2020-10-21","18:00:00",""
"4087702","12.8866","0.001","23.3467","0.0018","31.025","0.002","90","","100.735","0.004","90","","9170.8","1.2","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C107 H115 Nb O4 P2 -","- C107 H115 Nb O4 P2 -","- C428 H460 Nb4 O16 P8 -","4","1","","Searles, Keith; Carroll, Patrick J.; Mindiola, Daniel J.","Anionic and Mononuclear Phosphinidene and Imide Complexes of Niobium","Organometallics","2015","34","19","4641","","10.1021/acs.organomet.5b00518","","","0.71073","MoKα","","0.2306","0.2098","","","0.5266","0.535","","","","","","1.153","","","","has coordinates","236932","2020-10-21","18:00:00",""
"4087703","10.1774","0.0004","13.0331","0.0005","13.5081","0.0005","80.467","0.003","69.45","0.004","67.659","0.004","1550.73","0.12","109.9","0.3","109.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Fe2 Mo O5 P -","- C35 H25 Fe2 Mo O5 P -","- C70 H50 Fe4 Mo2 O10 P2 -","2","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0327","0.0262","","","0.0576","0.0598","","","","","","1.036","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087704","13.5986","0.0008","13.4025","0.0007","18.1802","0.0017","90","","109.437","0.008","90","","3124.6","0.4","111","2","111","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C35 H25 Fe2 O5 P W -","- C35 H25 Fe2 O5 P W -","- C140 H100 Fe8 O20 P4 W4 -","4","2","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0711","0.0562","","","0.1082","0.1177","","","","","","0.998","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087705","12.0616","0.0002","17.2266","0.0003","27.9283","0.0005","90","","90","","90","","5802.95","0.17","110","0.1","110","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H54 Cl4 Fe4 O4 P2 W -","- C66 H54 Cl4 Fe4 O4 P2 W -","- C264 H216 Cl16 Fe16 O16 P8 W4 -","4","0.5","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0339","0.0286","","","0.0577","0.0593","","","","","","1.088","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087706","11.0117","0.0003","17.3794","0.0004","17.7478","0.0004","90","","106.792","0.003","90","","3251.69","0.15","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Fe4 O7 P -","- C37 H25 Fe4 O7 P -","- C148 H100 Fe16 O28 P4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0541","0.0332","","","0.0624","0.0672","","","","","","1.016","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087707","20.8201","0.0007","7.3072","0.0002","18.1931","0.0006","90","","90","","90","","2767.84","0.15","106","2","106","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H25 Fe3 O3 P S -","- C33 H25 Fe3 O3 P S -","- C132 H100 Fe12 O12 P4 S4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Transition-Metal Carbonyl Complexes of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2015","34","17","4293","","10.1021/acs.organomet.5b00520","","","0.71073","MoKα","","0.0436","0.0348","","","0.0651","0.0686","","","","","","0.994","","","","has coordinates","236934","2020-10-21","18:00:00",""
"4087708","17.9786","0.0007","10.8974","0.0004","33.4789","0.0014","90","","90.672","0.0011","90","","6558.7","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 B Fe O P2 -","- C36 H46 B Fe O P2 -","- C288 H368 B8 Fe8 O8 P16 -","8","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.0567","0.0412","","","0.0941","0.1","","","","","","1.027","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087709","11.5444","0.0009","19.5804","0.0015","16.0331","0.0013","90","","110.525","0.005","90","","3394.1","0.5","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 B Fe P2 S -","- C36 H47 B Fe P2 S -","- C144 H188 B4 Fe4 P8 S4 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.081","0.0451","","","0.0961","0.1097","","","","","","1.033","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087710","11.1418","0.0005","12.7713","0.0006","30.2507","0.0013","90","","96.033","0.002","90","","4280.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H60 B Fe N O P2 -","- C47 H60 B Fe N O P2 -","- C188 H240 B4 Fe4 N4 O4 P8 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.0737","0.0526","","","0.1468","0.1599","","","","","","1.038","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087711","11.9514","0.001","22.7818","0.0015","13.252","0.0011","90","","102.923","0.005","90","","3516.8","0.5","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 B Fe N2 P2 -","- C39 H49 B Fe N2 P2 -","- C156 H196 B4 Fe4 N8 P8 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.102","0.0457","","","0.1012","0.1134","","","","","","0.995","","","","has coordinates,has disorder","236937","2020-10-21","18:00:00",""
"4087712","10.7517","0.0007","18.0184","0.0012","24.6119","0.0015","69.741","0.005","81.149","0.004","74.584","0.003","4302","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 B Co N1.67 P2 -","- C30 H41 B Co N1.66667 P2 -","- C180 H246 B6 Co6 N10 P12 -","6","3","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.1205","0.0536","","","0.1356","0.1512","","","","","","1.002","","","","has coordinates,has disorder","236937","2020-10-21","18:00:00",""
"4087713","18.307","0.0007","8.9745","0.0004","21.1421","0.0009","90","","106.962","0.002","90","","3322.5","0.2","100","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B Co O P2 -","- C36 H46 B Co O P2 -","- C144 H184 B4 Co4 O4 P8 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","1.54178","CuKα","","0.0464","0.0392","","","0.0935","0.098","","","","","","1.03","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087714","10.0753","0.0004","19.0012","0.0007","17.8659","0.0006","90","","104.722","0.0016","90","","3308","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 B Co P2 S -","- C36 H46 B Co P2 S -","- C144 H184 B4 Co4 P8 S4 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.1021","0.0513","","","0.1053","0.1276","","","","","","1.017","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087715","19.5888","0.0009","11.1243","0.0007","16.8762","0.0009","90","","90","","90","","3677.5","0.3","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H50 B Co N P2 -","- C43 H50 B Co N P2 -","- C172 H200 B4 Co4 N4 P8 -","4","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.1362","0.0599","","","0.0898","0.109","","","","","","0.976","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087716","18.8235","0.0011","9.9502","0.0006","31.407","0.0019","90","","104.505","0.003","90","","5695","0.6","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H41 B Br Co P2 -","- C30 H41 B Br Co P2 -","- C240 H328 B8 Br8 Co8 P16 -","8","1","","Nesbit, Mark A.; Suess, Daniel L. M.; Peters, Jonas C.","E‒H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes","Organometallics","2015","34","19","4741","","10.1021/acs.organomet.5b00530","","","0.71073","MoKα","","0.0432","0.0294","","","0.0628","0.0668","","","","","","1.079","","","","has coordinates","236937","2020-10-21","18:00:00",""
"4087717","15.1177","0.0019","7.8813","0.0009","15.4847","0.0019","90","","97.175","0.007","90","","1830.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 W -","- C20 H25 N O2 W -","- C80 H100 N4 O8 W4 -","4","1","","Baillie, Rhett A.; Lefèvre, Guillaume P.; Wakeham, Russell J.; Holmes, Aaron S.; Legzdins, Peter","Unsymmetrical Saturated Ketones Resulting from Activations of Hydrocarbon C(sp3)‒H and C(sp2)‒H Bonds Effected by Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","16","4085","","10.1021/acs.organomet.5b00537","","","0.71073","MoKα","","0.0344","0.0312","","","0.0629","0.0638","","","","","","1.283","","","","has coordinates,has disorder","236940","2020-10-21","18:00:00",""
"4087718","10.3454","0.0009","13.9408","0.0012","18.1284","0.0015","67.6136","0.0016","84.779","0.002","81.66","0.002","2390.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","L10 in manuscript","","","- C54 H60 O8 P2 -","- C54 H60 O8.152 P2 -","- C108 H120 O16.304 P4 -","2","1","","Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal","Organometallics","2015","34","16","4102","","10.1021/acs.organomet.5b00538","","","0.71073","MoKα","","0.1075","0.0636","","","0.1254","0.1531","","","","","","1.052","","","","has coordinates,has disorder","236942","2020-10-21","18:00:00",""
"4087719","11.2578","0.0009","11.0732","0.0009","37.106","0.003","90","","94.5295","0.0018","90","","4611.2","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C52 H49 O8 P2 Rh -","- C52 H49 O8 P2 Rh -","- C208 H196 O32 P8 Rh4 -","4","1","","Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal","Organometallics","2015","34","16","4102","","10.1021/acs.organomet.5b00538","","","0.71073","MoKα","","0.0868","0.0524","","","0.082","0.097","","","","","","1.067","","","","has coordinates","236942","2020-10-21","18:00:00",""
"4087720","10.857","0.002","15.294","0.003","18.873","0.004","112.282","0.005","101.524","0.005","98.096","0.005","2759.1","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4 in manuscript","","","- C60 H53 O8 P2 Rh -","- C60 H53 O8 P2 Rh -","- C120 H106 O16 P4 Rh2 -","2","1","","Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal","Organometallics","2015","34","16","4102","","10.1021/acs.organomet.5b00538","","","0.71073","MoKα","","0.1452","0.0701","","","0.1354","0.1666","","","","","","0.991","","","","has coordinates","236942","2020-10-21","18:00:00",""
"4087721","34.2356","0.0016","13.9198","0.0007","31.1781","0.0016","90","","119.098","0.0013","90","","12982.8","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5 in manuscript","","","- C67 H66 O11 P3 Rh -","- C67 H66 O11 P3 Rh -","- C536 H528 O88 P24 Rh8 -","8","1","","Mormul, Jaroslaw; Mulzer, Michael; Rosendahl, Tobias; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Synthesis of Adipic Aldehyde by n-Selective Hydroformylation of 4-Pentenal","Organometallics","2015","34","16","4102","","10.1021/acs.organomet.5b00538","","","0.71073","MoKα","","0.0925","0.0514","","","0.1019","0.1173","","","","","","1.026","","","","has coordinates","236942","2020-10-21","18:00:00",""
"4087722","10.051","0.003","19.984","0.005","19.267","0.005","90","","99.26","0.005","90","","3819.5","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(FcPPB)]","brad42","","- C48.9 H46.6 B Fe Ni P2 -","- C44 H41 B Fe Ni P2 -","- C176 H164 B4 Fe4 Ni4 P8 -","4","1","","Cowie, Bradley E.; Emslie, David J. H.","Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands","Organometallics","2015","34","16","4093","","10.1021/acs.organomet.5b00539","","","0.71073","MoKα","","0.0862","0.0607","","","0.124","0.1353","","","","","","1.08","","","","has coordinates","236944","2020-10-21","18:00:00",""
"4087723","10.478","0.0011","20.181","0.002","18.5596","0.0019","90","","99.191","0.002","90","","3874.2","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pd(FcPPB)]","brad33","","- C46 H45 B Cl2 Fe P2 Pd -","- C46 H45 B Cl2 Fe P2 Pd -","- C184 H180 B4 Cl8 Fe4 P8 Pd4 -","4","1","","Cowie, Bradley E.; Emslie, David J. H.","Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands","Organometallics","2015","34","16","4093","","10.1021/acs.organomet.5b00539","","","0.71073","MoKα","","0.0925","0.0512","","","0.1026","0.1194","","","","","","1.038","","","","has coordinates","236944","2020-10-21","18:00:00",""
"4087724","14.7004","0.0016","21.599","0.002","26.75","0.003","90","","91.956","0.002","90","","8488.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni2(N2)(FcPPP)2]","brad74","","- C100 H102 Fe2 N2 Ni2 P6 -","- C100 H102 Fe2 N2 Ni2 P6 -","- C400 H408 Fe8 N8 Ni8 P24 -","4","0.5","","Cowie, Bradley E.; Emslie, David J. H.","Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands","Organometallics","2015","34","16","4093","","10.1021/acs.organomet.5b00539","","","0.71073","MoKα","","0.0477","0.0343","","","0.0745","0.0804","","","","","","1.035","","","","has coordinates","236944","2020-10-21","18:00:00",""
"4087725","9.8528","0.0009","18.6413","0.0016","15.5813","0.0014","90","","106.827","0.002","90","","2739.3","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(dba)(FcPPP)]","brad30","","- C62 H57 Cl2 Fe O P3 Pd -","- C62 H57 Cl2 Fe O P3 Pd -","- C124 H114 Cl4 Fe2 O2 P6 Pd2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands","Organometallics","2015","34","16","4093","","10.1021/acs.organomet.5b00539","","","0.71073","MoKα","","0.0543","0.043","","","0.1081","0.1182","","","","","","1.084","","","","has coordinates,has disorder","236944","2020-10-21","18:00:00",""
"4087726","11.7467","0.0002","22.3776","0.0004","17.2697","0.0003","90","","105.026","0.0018","90","","4384.35","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H31 B F15 O2 P -","- C50 H31 B F15 O2 P -","- C200 H124 B4 F60 O8 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0427","0.0357","","","0.0898","0.095","","","","","","1.021","","","","has coordinates","236946","2020-10-21","18:00:00",""
"4087727","13.00937","0.00015","20.5826","0.0002","17.61995","0.00018","90","","102.15","0.001","90","","4612.34","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 B Cl3 F15 O P -","- C50 H30 B Cl3 F15 O P -","- C200 H120 B4 Cl12 F60 O4 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0481","0.0424","","","0.1079","0.1131","","","","","","1.044","","","","has coordinates,has disorder","236947","2020-10-21","18:00:00",""
"4087728","11.1762","0.0005","15.7904","0.0006","14.5984","0.0006","90","","109.641","0.005","90","","2426.38","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H8 B F15 O -","- C28 H8 B F15 O -","- C112 H32 B4 F60 O4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","0.71073","MoKα","","0.0861","0.0546","","","0.1245","0.1439","","","","","","1.046","","","","has coordinates","236949","2020-10-21","18:00:00",""
"4087729","13.0028","0.0003","15.1522","0.0003","23.0392","0.0005","90","","103.336","0.002","90","","4416.8","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H31 B F15 O2 P -","- C50 H31 B F15 O2 P -","- C200 H124 B4 F60 O8 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0615","0.0421","","","0.1006","0.1127","","","","","","1.023","","","","has coordinates","236950","2020-10-21","18:00:00",""
"4087730","11.3113","0.0004","11.5408","0.0005","12.6612","0.0005","105.469","0.004","96.466","0.003","91.745","0.003","1579.64","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H18 B F15 O -","- C36 H18 B F15 O -","- C72 H36 B2 F30 O2 -","2","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","0.71073","MoKα","","0.0765","0.0499","","","0.1199","0.1388","","","","","","1.078","","","","has coordinates","236952","2020-10-21","18:00:00",""
"4087731","16.8686","0.0003","11.05869","0.00018","27.6059","0.0004","90","","105.377","0.0018","90","","4965.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 B F15 O2 -","- C25 H10 B F15 O2 -","- C200 H80 B8 F120 O16 -","8","2","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0434","0.0339","","","0.086","0.0945","","","","","","1.015","","","","has coordinates","236953","2020-10-21","18:00:00",""
"4087732","12.9285","0.0002","20.8057","0.0003","20.353","0.0003","90","","107.589","0.0018","90","","5218.72","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H33 B Cl6 F15 O P -","- C52 H33 B Cl6 F15 O P -","- C208 H132 B4 Cl24 F60 O4 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0802","0.0651","","","0.1759","0.1931","","","","","","1.04","","","","has coordinates,has disorder","236955","2020-10-21","18:00:00",""
"4087733","12.68853","0.00019","18.3742","0.0003","17.9394","0.0003","90","","99.2369","0.0016","90","","4128.19","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H22 B F18 O2 P -","- C47 H22 B F18 O2 P -","- C188 H88 B4 F72 O8 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.059","0.045","","","0.1212","0.1326","","","","","","1.033","","","","has coordinates,has disorder","236957","2020-10-21","18:00:00",""
"4087734","13.0092","0.0002","15.1502","0.0002","22.7586","0.0003","90","","104.42","0.0016","90","","4344.23","0.11","151","2","151","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H28 B Cl F15 O P -","- C49 H28 B Cl F15 O P -","- C196 H112 B4 Cl4 F60 O4 P4 -","4","1","","Melen, Rebecca L.; Wilkins, Lewis C.; Kariuki, Benson M.; Wadepohl, Hubert; Gade, Lutz H.; Hashmi, A. Stephen K.; Stephan, Douglas W.; Hansmann, Max M.","Diverging Pathways in the Activation of Allenes with Lewis Acids and Bases: Addition, 1,2-Carboboration, and Cyclization","Organometallics","2015","34","16","4127","","10.1021/acs.organomet.5b00546","","","1.54184","CuKα","","0.0373","0.0312","","","0.0775","0.082","","","","","","1.032","","","","has coordinates","236958","2020-10-21","18:00:00",""
"4087735","9.8131","0.0004","12.237","0.0005","13.1707","0.0006","85.212","0.003","68.525","0.002","67.039","0.002","1351.92","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(PNP)NiCF3","","","- C27 H40 F3 N Ni P2 -","- C27 H40 F3 N Ni P2 -","- C54 H80 F6 N2 Ni2 P4 -","2","1","","Yoo, Changho; Ajitha, Manjaly J.; Jung, Yousung; Lee, Yunho","Mechanistic Study on C‒C Bond Formation of a Nickel(I) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations","Organometallics","2015","34","17","4305","","10.1021/acs.organomet.5b00548","","","0.71073","MoKα","","0.0901","0.0514","","","0.1319","0.1585","","","","","","0.876","","","","has coordinates","236959","2020-10-21","18:00:00",""
"4087736","14.6663","0.0004","11.2056","0.0003","18.1049","0.0007","90","","90","","90","","2975.44","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 Cl2 O4 Ru2 -","- C32 H34 Cl2 O4 Ru2 -","- C128 H136 Cl8 O16 Ru8 -","4","1","","Garci, Amine; Mbakidi, Jean-Pierre; Chaleix, Vincent; Sol, Vincent; Orhan, Ersin; Therrien, Bruno","Tunable Arene Ruthenium Metallaprisms to Transport, Shield, and Release Porphin in Cancer Cells","Organometallics","2015","34","16","4138","","10.1021/acs.organomet.5b00555","","","0.71073","MoKα","","0.0323","0.0271","","","0.0619","0.0632","","","","","","0.969","","","","has coordinates","236961","2020-10-21","18:00:00",""
"4087737","15.7478","0.0012","15.7478","0.0012","51.824","0.005","90","","90","","120","","11130.2","1.6","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C67 H60 Al F36 O5 P Si -","- C66.9952 H60 Al F35.9856 O4.9999 P Si -","- C401.971 H360 Al6 F215.914 O29.9994 P6 Si6 -","6","0.333333","","Großekappenberg, Henning; Reißmann, Matti; Schmidtmann, Marc; Müller, Thomas","Quantitative Assessment of the Lewis Acidity of Silylium Ions","Organometallics","2015","34","20","4952","","10.1021/acs.organomet.5b00556","","","0.71073","MoKα","","0.1255","0.1013","","","0.2573","0.2797","","","","","","1.228","","","","has coordinates,has disorder","236963","2020-10-21","18:00:00",""
"4087738","12.3651","0.0002","12.8769","0.0001","15.4302","0.0002","105.121","0.001","103.313","0.001","100.473","0.001","2230.27","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 O6 Zn2 -","- C52 H56 O6 Zn2 -","- C104 H112 O12 Zn4 -","2","1","","Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz","Structural Diversity of Ethylzinc Carboxylates","Organometallics","2015","34","20","4959","","10.1021/acs.organomet.5b00557","","","0.71073","MoKα","","0.0417","0.0351","","","0.081","0.0842","","","","","","1.03","","","","has coordinates","236965","2020-10-21","18:00:00",""
"4087739","12.5821","0.0003","8.76091","0.00001","19.9503","0.0004","90","","121.974","0.001","90","","1865.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O3 Zn -","- C20 H24 O3 Zn -","- C80 H96 O12 Zn4 -","4","1","","Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz","Structural Diversity of Ethylzinc Carboxylates","Organometallics","2015","34","20","4959","","10.1021/acs.organomet.5b00557","","","0.71073","MoKα","","0.0332","0.0299","","","0.0745","0.0763","","","","","","1.053","","","","has coordinates","236965","2020-10-21","18:00:00",""
"4087740","9.7611","0.0005","13.7772","0.0008","18.6959","0.0009","92.648","0.002","93.535","0.002","92.932","0.002","2503.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H60 O18 Zn6 -","- C30 H60 O18 Zn6 -","- C60 H120 O36 Zn12 -","2","1","","Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz","Structural Diversity of Ethylzinc Carboxylates","Organometallics","2015","34","20","4959","","10.1021/acs.organomet.5b00557","","","0.71073","MoKα","","0.0903","0.0834","","","0.1909","0.1947","","","","","","1.072","","","","has coordinates,has disorder","236965","2020-10-21","18:00:00",""
"4087741","12.0165","0.0003","17.6627","0.0005","19.5979","0.0008","84.528","0.003","87.895","0.003","87.626","0.002","4134.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H112 O32 P6 Zn9 -","- C52 H112 O32 P6 Zn9 -","- C104 H224 O64 P12 Zn18 -","2","1","","Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz","Structural Diversity of Ethylzinc Carboxylates","Organometallics","2015","34","20","4959","","10.1021/acs.organomet.5b00557","","","0.71073","MoKα","","0.0576","0.0385","","","0.0875","0.0902","","","","","","0.936","","","","has coordinates","236965","2020-10-21","18:00:00",""
"4087742","9.5766","0.0003","17.0542","0.0006","17.4821","0.0006","90","","90","","90","","2855.2","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 N2 Si3 Ta -","- C23 H41 N2 Si3 Ta -","- C92 H164 N8 Si12 Ta4 -","4","1","","Hunter, Seth C.; Chen, Shu-Jian; Steren, Carlos A.; Richmond, Michael G.; Xue, Zi-Ling","Syntheses and Characterization of Tantalum Alkyl Imides and Amide Imides. DFT Studies of Unusual α-SiMe3 Abstraction by an Amide Ligand","Organometallics","2015","34","24","5687","","10.1021/acs.organomet.5b00558","","","0.71073","MoKα","","0.0419","0.0412","","","0.1349","0.1364","","","","","","1.218","","","","has coordinates","236967","2020-10-21","18:00:00",""
"4087743","9.4036","0.0007","16.0261","0.0011","13.5459","0.001","90","","92.705","0.001","90","","2039.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H66 N4 O2 Si6 Ta2 -","- C22 H66 N4 O2 Si6 Ta2 -","- C44 H132 N8 O4 Si12 Ta4 -","2","0.5","","Hunter, Seth C.; Chen, Shu-Jian; Steren, Carlos A.; Richmond, Michael G.; Xue, Zi-Ling","Syntheses and Characterization of Tantalum Alkyl Imides and Amide Imides. DFT Studies of Unusual α-SiMe3 Abstraction by an Amide Ligand","Organometallics","2015","34","24","5687","","10.1021/acs.organomet.5b00558","","","0.71073","MoKα","","0.0189","0.0172","","","0.0461","0.0469","","","","","","1.11","","","","has coordinates","236967","2020-10-21","18:00:00",""
"4087744","12.4114","0.001","17.2847","0.001","6.5749","0.0004","90","","92.606","0.004","90","","1409.04","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N2 O2 Rh -","- C17 H11 N2 O2 Rh -","- C68 H44 N8 O8 Rh4 -","4","0.5","","Lam, Raphael H.; Walker, D. Barney; Tucker, Matthew H.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Intermolecular Hydroalkoxylation of Terminal Alkynes Catalyzed by a Dipyrrinato Rhodium(I) Complex with Unusual Selectivity","Organometallics","2015","34","17","4312","","10.1021/acs.organomet.5b00561","","","0.71073","MoKα","","0.0184","0.0171","","","0.0401","0.0407","","","","","","1.1","","","","has coordinates","236969","2020-10-21","18:00:00",""
"4087745","11.4094","0.0004","11.4298","0.0004","30.323","0.0012","92.462","0.001","100.545","0.002","107.826","0.002","3680.2","0.2","100","","100.11","","","","","","","","","8","P -1","-P 1","2","","","","- C32 H45 B2 F8 N3 Ni O P2 -","- C32 H45 B2 F8 N3 Ni O P2 -","- C128 H180 B8 F32 N12 Ni4 O4 P8 -","4","2","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","1.54178","CuKα","","0.0981","0.081","","","0.2035","0.2142","","","","","","1.078","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4087746","15.7224","0.0011","12.6201","0.0009","22.1023","0.0015","90","","108.003","0.002","90","","4170.8","0.5","100","","100.01","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 B F3 N Ni O3 P2 S -","- C42 H61 B F3 N Ni O3 P2 S -","- C168 H244 B4 F12 N4 Ni4 O12 P8 S4 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0526","0.0427","","","0.1178","0.1242","","","","","","1.026","","","","has coordinates,has disorder","236973","2020-10-21","18:00:00",""
"4087747","8.6112","0.0007","17.8635","0.0016","8.8154","0.0011","90","","99.464","0.004","90","","1337.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H39 N P2 Pd -","- C29 H39 N P2 Pd -","- C58 H78 N2 P4 Pd2 -","2","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.1325","0.0639","","","0.1107","0.1348","","","","","","0.885","","","","has coordinates","236975","2020-10-21","18:00:00",""
"4087748","13.4502","0.0007","14.6571","0.0007","22.5392","0.0011","90","","91.08","0.002","90","","4442.6","0.4","100","","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 B F15 N P2 Pd -","- C47 H39 B F15 N P2 Pd -","- C188 H156 B4 F60 N4 P8 Pd4 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0773","0.0414","","","0.0897","0.0999","","","","","","1.014","","","","has coordinates","236976","2020-10-21","18:00:00",""
"4087749","20.003","0.003","13.924","0.002","22.832","0.004","90","","99.777","0.004","90","","6266.8","1.7","100","","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H85 F3 N2 Ni2 O3 P4 S -","- C65 H85 F3 N2 Ni2 O3 P4 S -","- C260 H340 F12 N8 Ni8 O12 P16 S4 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0856","0.0437","","","0.084","0.097","","","","","","1.003","","","","has coordinates","236978","2020-10-21","18:00:00",""
"4087750","18.7148","0.0007","13.0646","0.0005","25.9359","0.0009","90","","109.324","0.002","90","","5984.1","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H90 N2 Ni2 P4 -","- C63 H90 N2 Ni2 P4 -","- C252 H360 N8 Ni8 P16 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0541","0.0364","","","0.0843","0.0926","","","","","","1.019","","","","has coordinates,has disorder","236979","2020-10-21","18:00:00",""
"4087751","12.7394","0.0014","15.276","0.0017","16.7217","0.0019","90","","101.186","0.002","90","","3192.3","0.6","100","","99.98","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 F3 N Ni O4 P2 S -","- C31 H40 F3 N Ni O4 P2 S -","- C124 H160 F12 N4 Ni4 O16 P8 S4 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0318","0.0248","","","0.0634","0.0671","","","","","","1.05","","","","has coordinates","236981","2020-10-21","18:00:00",""
"4087752","12.2515","0.0008","11.1901","0.0007","24.2291","0.0015","90","","102.437","0.003","90","","3243.8","0.4","100","","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 F3 N O3 P2 Pd S -","- C30 H40 F3 N O3 P2 Pd S -","- C120 H160 F12 N4 O12 P8 Pd4 S4 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0245","0.0211","","","0.0508","0.0524","","","","","","1.076","","","","has coordinates","236982","2020-10-21","18:00:00",""
"4087753","40.5679","0.0017","12.1876","0.0004","20.6773","0.0007","90","","114.405","0.002","90","","9309.9","0.6","100","","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H43 B5 F15 N Ni P2 -","- C50.1185 H39 B F15 N Ni P2 -","- C400.948 H312 B8 F120 N8 Ni8 P16 -","8","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0593","0.0438","","","0.1127","0.1252","","","","","","1.033","","","","has coordinates","236984","2020-10-21","18:00:00",""
"4087754","11.5436","0.0005","15.7065","0.0006","15.3374","0.0005","90","","90.135","0.002","90","","2780.81","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N Ni O P2 -","- C30 H39 N Ni O P2 -","- C120 H156 N4 Ni4 O4 P8 -","4","1","","Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor","Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands","Organometallics","2015","34","19","4753","","10.1021/acs.organomet.5b00562","","","0.71073","MoKα","","0.0471","0.0321","","","0.0724","0.0782","","","","","","1.005","","","","has coordinates","236985","2020-10-21","18:00:00",""
"4087755","9.7441","0.0009","14.7302","0.0014","10.2714","0.0009","90","","113.297","0.0017","90","","1354.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","NiCl3dppb","","","- C30 H24 Cl3 Ni P2 -","- C30 H24 Cl3 Ni P2 -","- C60 H48 Cl6 Ni2 P4 -","2","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.71073","MoKα","","0.0784","0.0525","","","0.0861","0.0931","","","","","","0.983","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4087756","8.7809","0.0004","21.4011","0.0011","10.6362","0.0005","90","","113.372","0.0007","90","","1834.76","0.15","15","2","15","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","NiBr3dppb","","","- C16.5 H15 Br1.5 Cl3 Ni0.5 P -","- C16.5 H15 Br1.5 Cl3 Ni0.5 P -","- C66 H60 Br6 Cl12 Ni2 P4 -","4","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.41328","synchrotron","","0.021","0.0187","","","0.0439","0.0446","","","","","","1.039","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4087757","15.0451","0.0008","9.6692","0.0006","18.4342","0.0011","90","","104.426","0.003","90","","2597.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","NiCl2dppb","","","- C30 H24 Br0 Cl2 Ni P2 -","- C30 H24 Cl2 Ni P2 -","- C120 H96 Cl8 Ni4 P8 -","4","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","1.54178","CuKα","","0.0919","0.0861","","","0.224","0.2307","","","","","","1.058","","","","has coordinates","236987","2020-10-21","18:00:00",""
"4087758","13.0802","0.0011","8.5935","0.0007","13.7616","0.0012","90","","97.517","0.0014","90","","1533.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","NiBr2dppe","","","- C28 H28 Br2 Cl4 Ni P2 -","- C28 H28 Br2 Cl4 Ni P2 -","- C56 H56 Br4 Cl8 Ni2 P4 -","2","1","","Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.","Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere","Organometallics","2015","34","19","4766","","10.1021/acs.organomet.5b00568","","","0.71073","MoKα","","0.0465","0.0397","","","0.096","0.0996","","","","","","1.051","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4087759","8.4615","0.0018","13.592","0.003","19.419","0.004","90","","90","","90","","2233.4","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 B F4 N O2 P2 Rh -","- C15 H31 B F4 N O2 P2 Rh -","- C60 H124 B4 F16 N4 O8 P8 Rh4 -","4","1","","Cristóbal-Lecina, Edgar; Costantino, Andrea R.; Grabulosa, Arnald; Riera, Antoni; Verdaguer, Xavier","Rhodium-Catalyzed Pauson‒Khand Reaction Using a Small-Bite-Angle P-Stereogenic C1-Diphosphine Ligand","Organometallics","2015","34","20","4989","","10.1021/acs.organomet.5b00576","","","0.71073","MoKα","","0.0304","0.0281","","","0.0679","0.0693","","","","","","1.064","","","","has coordinates,has disorder","236989","2020-10-21","18:00:00",""
"4087760","9.3447","0.0013","16.9532","0.0017","10.208","0.0012","90","","110.152","0.015","90","","1518.2","0.3","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O2 Pd -","- C15 H17 N3 O2 Pd -","- C60 H68 N12 O8 Pd4 -","4","1","","Zhang, Shou-Kun; Yang, Xin-Yan; Zhao, Xue-Mei; Li, Peng-Xiang; Niu, Jun-Long; Song, Mao-Ping","Palladium-Catalyzed Selective β-Arylation of Aliphatic Amides Using a Removable N,O-Bidentate Auxiliary","Organometallics","2015","34","17","4331","","10.1021/acs.organomet.5b00581","","","0.7107","MoKα","","0.0415","0.0309","","","0.071","0.0784","","","","","","1.056","","","","has coordinates","236990","2020-10-21","18:00:00",""
"4087761","13.7515","0.0008","4.797","0.0003","18.4272","0.0012","90","","95.504","0.006","90","","1209.96","0.13","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Zhang, Shou-Kun; Yang, Xin-Yan; Zhao, Xue-Mei; Li, Peng-Xiang; Niu, Jun-Long; Song, Mao-Ping","Palladium-Catalyzed Selective β-Arylation of Aliphatic Amides Using a Removable N,O-Bidentate Auxiliary","Organometallics","2015","34","17","4331","","10.1021/acs.organomet.5b00581","","","0.71073","MoKα","","0.0671","0.0436","","","0.0948","0.1072","","","","","","1.035","","","","has coordinates","236990","2020-10-21","18:00:00",""
"4087762","8.7462","0.0018","14.667","0.003","10.868","0.002","90","","110.551","0.003","90","","1305.4","0.4","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 P S2 -","- C13 H15 P S2 -","- C52 H60 P4 S8 -","4","1","","Worch, Joshua C.; Hellemann, Erich; Pros, Gabrielle; Gayathri, Chakicherla; Pintauer, Tomislav; Gil, Roberto R.; Noonan, Kevin J. T.","Stability and Reactivity of 1,3-Benzothiaphosphole: Metalation and Diels‒Alder Chemistry","Organometallics","2015","34","22","5366","","10.1021/acs.organomet.5b00583","","","0.71073","MoKα","","0.0453","0.041","","","0.1344","0.1409","","","","","","1.132","","","","has coordinates","236992","2020-10-21","18:00:00",""
"4087763","8.9198","0.0003","12.7426","0.0005","17.1748","0.0006","90","","101.153","0.002","90","","1915.25","0.12","115","","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 O P S -","- C22 H23 O P S -","- C88 H92 O4 P4 S4 -","4","2","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0747","0.0482","","","0.0965","0.1063","","","","","","1.025","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087764","11.7254","0.0005","7.1457","0.0003","14.1714","0.0006","90","","113.567","0.002","90","","1088.33","0.08","115","","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 O P S -","- C24 H27 O P S -","- C48 H54 O2 P2 S2 -","2","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0464","0.0325","","","0.0691","0.0751","","","","","","1.045","","","","has coordinates","236994","2020-10-21","18:00:00",""
"4087765","11.404","0.0006","10.3436","0.0004","12.794","0.0006","90","","112.745","0.002","90","","1391.8","0.11","115","","115","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl4 O P Pd S -","- C27 H25 Cl4 O P Pd S -","- C54 H50 Cl8 O2 P2 Pd2 S2 -","2","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0499","0.0394","","","0.097","0.1036","","","","","","1.043","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087766","8.7467","0.0005","10.6016","0.0006","14.2035","0.0009","79.599","0.003","83.726","0.003","76.827","0.003","1258.15","0.13","115","","115","","","","","","","","","7","P 1","P 1","1","","","","- C51 H44 Cl6 O2 P2 Pd2 S2 -","- C51 H44 Cl6 O2 P2 Pd2 S2 -","- C51 H44 Cl6 O2 P2 Pd2 S2 -","1","1","","Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain","ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations","Organometallics","2015","34","17","4340","","10.1021/acs.organomet.5b00585","","x-ray","0.71073","MoKα~1~","K-L~3~","0.064","0.0432","","","0.0697","0.0765","","","","","","1.027","","","","has coordinates,has disorder","236994","2020-10-21","18:00:00",""
"4087767","7.821","0.004","8.102","0.004","26.932","0.015","90","","90","","90","","1706.6","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N4 O Pd -","- C18 H17 Cl N4 O Pd -","- C72 H68 Cl4 N16 O4 Pd4 -","4","1","","Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man","Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities","Organometallics","2015","34","17","4359","","10.1021/acs.organomet.5b00586","","x-ray","0.71073","MoKα","","0.0768","0.0576","","","0.1361","0.1455","","","","","","1.044","","","","has coordinates","236996","2020-10-21","18:00:00",""
"4087768","22.2283","0.0008","22.2283","0.0008","20.4987","0.0008","90","","90","","120","","8771.4","0.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H17 Cl N4 O Pd -","- C18 H17 Cl N4 O Pd -","- C324 H306 Cl18 N72 O18 Pd18 -","18","1","","Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man","Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities","Organometallics","2015","34","17","4359","","10.1021/acs.organomet.5b00586","","x-ray","0.71073","MoKα","","0.033","0.03","","","0.0747","0.0764","","","","","","0.988","","","","has coordinates","236996","2020-10-21","18:00:00",""
"4087769","8.8861","0.0006","12.432","0.0008","17.2003","0.0011","90","","93.214","0.005","90","","1897.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cl N4 O2 Pd -","- C20 H21 Cl N4 O2 Pd -","- C80 H84 Cl4 N16 O8 Pd4 -","4","1","","Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man","Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities","Organometallics","2015","34","17","4359","","10.1021/acs.organomet.5b00586","","x-ray","0.71073","MoKα","","0.0578","0.0385","","","0.0657","0.0701","","","","","","1.405","","","","has coordinates","236996","2020-10-21","18:00:00",""
"4087770","10.072","0.0002","11.0954","0.0002","18.5984","0.0004","82.094","0.001","84.604","0.001","88.641","0.001","2049.42","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H67 Al3 Ce2 N2 -","- C35 H67 Al3 Ce2 N2 -","- C70 H134 Al6 Ce4 N4 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0324","0.0302","","","0.072","0.0727","","","","","","1.35","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087771","10.5575","0.0003","11.7221","0.0004","17.7237","0.0005","100.736","0.002","92.117","0.002","109.362","0.002","2021.58","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H67 Al3 La2 N2 -","- C35 H67 Al3 La2 N2 -","- C70 H134 Al6 La4 N4 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0318","0.0237","","","0.0504","0.0524","","","","","","0.962","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087772","12.8557","0.0004","19.8308","0.0006","20.7057","0.0004","90","","127.396","0.001","90","","4193.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H67 Al3 La2 N2 -","- C35 H67 Al3 La2 N2 -","- C140 H268 Al12 La8 N8 -","4","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0232","0.0195","","","0.0444","0.0458","","","","","","1.028","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087773","10.0212","0.0003","11.0357","0.0004","18.7228","0.0006","82.426","0.002","83.762","0.002","87.688","0.002","2039.64","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H67 Al3 N2 Nd2 -","- C35 H67 Al3 N2 Nd2 -","- C70 H134 Al6 N4 Nd4 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0465","0.0313","","","0.063","0.0675","","","","","","1.034","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087774","20.8139","0.0005","37.7028","0.001","25.5412","0.0006","90","","93.333","0.001","90","","20009.4","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H77 Al La2 N4 Si4 -","- C39 H76.75 Al La2 N4 Si4 -","- C624 H1228 Al16 La32 N64 Si64 -","16","4","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0409","0.0335","","","0.0676","0.0708","","","","","","0.995","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4087775","10.5076","0.0003","12.2778","0.0004","19.2216","0.0006","83.413","0.002","76.493","0.002","84.694","0.002","2389.73","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H76 Al2 La2 N2 Si -","- C43 H76 Al2 La2 N2 Si -","- C86 H152 Al4 La4 N4 Si2 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0221","0.0185","","","0.0433","0.045","","","","","","1.05","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087776","12.7087","0.0011","13.307","0.0013","16.9413","0.0014","102.936","0.002","92.217","0.002","107.517","0.002","2645.4","0.4","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H85 Al La2 N2 Si2 -","- C51 H85 Al La2 N2 Si2 -","- C102 H170 Al2 La4 N4 Si4 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0512","0.036","","","0.0716","0.0772","","","","","","1.061","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087777","14.6924","0.0003","15.2814","0.0003","18.7433","0.0003","90","","106.048","0.001","90","","4044.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H63 Al3 La2 N2 -","- C34 H63 Al3 La2 N2 -","- C136 H252 Al12 La8 N8 -","4","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0325","0.0273","","","0.0629","0.0662","","","","","","1.113","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087778","22.7763","0.0007","12.4858","0.0004","26.1901","0.0008","90","","112.99","0.002","90","","6856.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Al2 La2 N6 O4 -","- C65 H116 Al2 La2 N6 O4 -","- C260 H464 Al8 La8 N24 O16 -","4","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0575","0.0484","","","0.1008","0.1042","","","","","","1.214","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087779","20.1251","0.0011","20.903","0.0012","22.5087","0.0013","110.24","0.0019","101.63","0.0019","112.816","0.0019","7546.7","0.8","180","2","180","2","","","","","","","","5","P -1","-P 1","2","ds332","","","- C106 H194 Ce4 N16 Si8 -","- C106 H194 Ce4 N16 Si8 -","- C212 H388 Ce8 N32 Si16 -","2","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0747","0.0386","","","0.0804","0.092","","","","","","1.032","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087780","19.9233","0.0004","20.9941","0.0004","22.3408","0.0005","110.684","0.001","100.752","0.001","113.356","0.001","7423","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H90 La2 N8 Si4 -","- C50 H90 La2 N8 Si4 -","- C200 H360 La8 N32 Si16 -","4","2","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0859","0.0543","","","0.1605","0.1787","","","","","","1.128","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087781","12.3792","0.0002","13.3141","0.0002","18.8022","0.0003","90","","99.003","0.0009","90","","3060.76","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H96 La2 N6 Si2 -","- C62 H96 La2 N6 Si2 -","- C124 H192 La4 N12 Si4 -","2","0.5","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0234","0.0191","","","0.0464","0.0489","","","","","","1.072","","","","has coordinates","236999","2020-10-21","18:00:00",""
"4087782","12.3418","0.0006","15.602","0.0007","38.1896","0.0018","90","","95.436","0.0017","90","","7320.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ds362","","- C77 H108.58 La2 N6 O2 -","- C77.007 H108.583 La2 N6.002 O2 -","- C308.028 H434.332 La8 N24.008 O8 -","4","1","","Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization","Organometallics","2015","34","20","4994","","10.1021/acs.organomet.5b00589","","","0.71073","MoKα","","0.0681","0.0449","","","0.0692","0.0751","","","","","","1.072","","","","has coordinates,has disorder","236999","2020-10-21","18:00:00",""
"4087783","12.998","0.0004","15.8415","0.0005","18.0179","0.0006","90","","90","","90","","3710","0.2","180","0.1","180","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C68 H104 Cl2 Cu10 N4 -","- C68 H104 Cl2 Cu10 N4 -","- C136 H208 Cl4 Cu20 N8 -","2","0.5","","Liu, Liang; Geng, Weizhi; Yang, Qi; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Butadienyl Organocopper(I) Aggregates from Zirconacyclopentadienes and CuCl: Synthesis and Structural Characterization","Organometallics","2015","34","17","4198","","10.1021/acs.organomet.5b00598","","","0.71073","MoKα","","0.0563","0.0411","","","0.0956","0.1042","","","","","","1.049","","","","has coordinates","237002","2020-10-21","18:00:00",""
"4087784","12.6667","0.0005","13.5072","0.0006","15.0381","0.0006","96.035","0.003","113.105","0.004","110.051","0.004","2135.8","0.2","180.01","0.1","180.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C92 H124 Cu12 S2 -","- C92 H124 Cu12 S2 -","- C92 H124 Cu12 S2 -","1","0.5","","Liu, Liang; Geng, Weizhi; Yang, Qi; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Butadienyl Organocopper(I) Aggregates from Zirconacyclopentadienes and CuCl: Synthesis and Structural Characterization","Organometallics","2015","34","17","4198","","10.1021/acs.organomet.5b00598","","","0.71073","MoKα","","0.0691","0.047","","","0.1088","0.1236","","","","","","1.038","","","","has coordinates","237002","2020-10-21","18:00:00",""
"4087785","16.307","0.003","13.054","0.002","35.207","0.006","90","","100.552","0.002","90","","7368","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Cl4 Cu10 N4 -","- C60 H116 Cl4 Cu10 N4 -","- C240 H464 Cl16 Cu40 N16 -","4","1","","Liu, Liang; Geng, Weizhi; Yang, Qi; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Butadienyl Organocopper(I) Aggregates from Zirconacyclopentadienes and CuCl: Synthesis and Structural Characterization","Organometallics","2015","34","17","4198","","10.1021/acs.organomet.5b00598","","","0.71073","MoKα","","0.0986","0.0836","","","0.2124","0.2263","","","","","","1.168","","","","has coordinates","237002","2020-10-21","18:00:00",""
"4087786","11.8027","0.0005","12.3566","0.0004","24.999","0.0005","87.633","0.002","83.322","0.003","62.031","0.004","3197.8","0.2","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H92 Cl4 Cu10 N4 -","- C48 H92 Cl4 Cu10 N4 -","- C96 H184 Cl8 Cu20 N8 -","2","1","","Liu, Liang; Geng, Weizhi; Yang, Qi; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Butadienyl Organocopper(I) Aggregates from Zirconacyclopentadienes and CuCl: Synthesis and Structural Characterization","Organometallics","2015","34","17","4198","","10.1021/acs.organomet.5b00598","","","0.71073","MoKα","","0.0649","0.0439","","","0.1163","0.131","","","","","","1.071","","","","has coordinates","237002","2020-10-21","18:00:00",""
"4087787","11.561","0.0004","12.3228","0.0006","14.7532","0.0007","67.987","0.002","80.662","0.003","87.627","0.003","1922.32","0.15","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Fe N2 P2 -","- C44 H50 Fe N2 P2 -","- C88 H100 Fe2 N4 P4 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.1372","0.0899","","","0.176","0.2008","","","","","","1.124","","","","has coordinates,has disorder","237004","2020-10-21","18:00:00",""
"4087788","10.1561","0.0003","12.1582","0.0004","30.4118","0.001","90","","106.206","0.001","90","","3606","0.2","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cl6 Fe N2 Pd -","- C30 H52 Cl6 Fe N2 Pd -","- C120 H208 Cl24 Fe4 N8 Pd4 -","4","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.078","0.061","","","0.1089","0.1157","","","","","","1.222","","","","has coordinates","237004","2020-10-21","18:00:00",""
"4087789","18.123","0.0007","7.6042","0.0003","24.7744","0.0009","90","","103.958","0.002","90","","3313.4","0.2","115","2","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Fe N2 P2 -","- C40 H42 Fe N2 P2 -","- C160 H168 Fe4 N8 P8 -","4","0.5","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0474","0.04","","","0.0836","0.0892","","","","","","1.087","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087790","8.8529","0.0004","10.0267","0.0004","10.4383","0.0004","97.8255","0.0018","101.983","0.0018","105.651","0.0017","854.41","0.06","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Fe N2 P2 -","- C40 H42 Fe N2 P2 -","- C40 H42 Fe N2 P2 -","1","0.5","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0369","0.032","","","0.0792","0.083","","","","","","1.06","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087791","9.9008","0.0005","9.9078","0.0006","11.9017","0.0006","88.636","0.003","76.903","0.002","65.973","0.002","1035.52","0.1","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N O0.15 P -","- C24 H28 N O0.15 P -","- C48 H56 N2 O0.3 P2 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.055","0.0459","","","0.0932","0.0996","","","","","","1.079","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087792","13.589","0.0005","17.0474","0.0006","18.647","0.0007","90","","101.682","0.002","90","","4230.2","0.3","115","","115","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H58 Fe N2 P2 -","- C48 H58 Fe N2 P2 -","- C192 H232 Fe4 N8 P8 -","4","2","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0932","0.0706","","","0.1313","0.1468","","","","","","1.203","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087793","9.2178","0.0007","12.4302","0.0009","22.5562","0.0014","90","","90","","90","","2584.5","0.3","115","","115","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Fe N2 -","- C28 H44 Fe N2 -","- C112 H176 Fe4 N8 -","4","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0544","0.0408","","","0.0816","0.0871","","","","","","1.044","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087794","10.2309","0.0006","11.0502","0.0005","13.2511","0.0007","88.841","0.002","69.14","0.002","75.5","0.002","1351.36","0.13","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 Fe N2 -","- C30 H48 Fe N2 -","- C60 H96 Fe2 N4 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0457","0.0373","","","0.0962","0.1007","","","","","","1.036","","","","has coordinates","237008","2020-10-21","18:00:00",""
"4087795","19.2442","0.0016","12.3631","0.001","17.4252","0.0014","90","","102.264","0.003","90","","4051.2","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Fe N2 -","- C48 H56 Fe N2 -","- C192 H224 Fe4 N8 -","4","0.5","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","1.54178","CuKα","","0.0326","0.0314","","","0.0752","0.0759","","","","","","1.07","","","","has coordinates,has disorder","237008","2020-10-21","18:00:00",""
"4087796","11.397","0.0005","12.3473","0.0005","17.3852","0.0008","92.483","0.002","107.694","0.002","98.87","0.002","2292.28","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 Fe N2 P2 -","- C52 H66 Fe N2 P2 -","- C104 H132 Fe2 N4 P4 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.057","0.0394","","","0.088","0.0995","","","","","","1.059","","","","has coordinates","237008","2020-10-21","18:00:00",""
"4087797","10.7622","0.0008","13.494","0.0012","17.406","0.0016","79.738","0.004","76.32","0.003","69.517","0.003","2288.1","0.3","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H66 Fe N2 P2 -","- C52 H66 Fe N2 P2 -","- C104 H132 Fe2 N4 P4 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.1036","0.0533","","","0.1335","0.1569","","","","","","1.006","","","","has coordinates","237008","2020-10-21","18:00:00",""
"4087798","10.1411","0.0008","11.6988","0.001","21.3218","0.0017","81.815","0.003","79.862","0.002","66.051","0.002","2268.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62.78 Fe N2 O0.39 P2 -","- C52 H62.78 Fe N2 O0.39 P2 -","- C104 H125.56 Fe2 N4 O0.78 P4 -","2","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0551","0.0364","","","0.0749","0.0817","","","","","","1.03","","","","has coordinates,has disorder","237008","2020-10-21","18:00:00",""
"4087799","12.2125","0.0003","16.1022","0.0003","12.5748","0.0002","90","","97.0732","0.0019","90","","2453.99","0.09","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H71 N3 P Si6 Y -","- C37 H71 N3 P Si6 Y -","- C74 H142 N6 P2 Si12 Y2 -","2","1","","Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.","Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand","Organometallics","2015","34","17","4369","","10.1021/acs.organomet.5b00607","","","0.71073","MoKα","","0.0486","0.0367","","","0.0746","0.0792","","","","","","1.022","","","","has coordinates,has disorder","237010","2020-10-21","18:00:00",""
"4087800","15.22581","0.00015","12.86886","0.00012","22.2415","0.0002","90","","101.426","0.001","90","","4271.6","0.07","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H63 N3 P Si4 Y -","- C36 H63 N3 P Si4 Y -","- C144 H252 N12 P4 Si16 Y4 -","4","1","","Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.","Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand","Organometallics","2015","34","17","4369","","10.1021/acs.organomet.5b00607","","","1.54184","CuKα","","0.0309","0.0269","","","0.0689","0.0718","","","","","","1.032","","","","has coordinates","237010","2020-10-21","18:00:00",""
"4087801","15.154","0.0006","12.962","0.0005","22.1453","0.0008","90","","100.92","0.004","90","","4271.2","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H63 N3 P Si4 Y -","- C35 H63 N3 P Si4 Y -","- C140 H252 N12 P4 Si16 Y4 -","4","1","","Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.","Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand","Organometallics","2015","34","17","4369","","10.1021/acs.organomet.5b00607","","","0.71073","MoKα","","0.064","0.0394","","","0.0792","0.0876","","","","","","1.019","","","","has coordinates,has disorder","237010","2020-10-21","18:00:00",""
"4087802","9.31342","0.00013","20.6214","0.0002","13.0284","0.00018","90","","110.859","0.0016","90","","2338.18","0.06","109.95","0.1","109.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O4 Pd2 -","- C22 H30 N2 O4 Pd2 -","- C88 H120 N8 O16 Pd8 -","4","2","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0499","0.0442","","","0.0868","0.0891","","","","","","1.228","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087803","20.2373","0.0007","9.09573","0.00016","15.6668","0.0005","90","","127.316","0.005","90","","2293.53","0.19","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 F4 N2 O4 Pd2 -","- C22 H26 F4 N2 O4 Pd2 -","- C88 H104 F16 N8 O16 Pd8 -","4","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0386","0.0274","","","0.0551","0.0658","","","","","","1.087","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087804","8.34276","0.00013","14.9448","0.0002","9.77429","0.00016","90","","106.005","0.0017","90","","1171.43","0.03","110","0.1","110","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 F2 N2 O4 Pd2 -","- C22 H28 F2 N2 O4 Pd2 -","- C44 H56 F4 N4 O8 Pd4 -","2","1","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.7107","MoKα","","0.0293","0.0267","","","0.0501","0.052","","","","","","1.037","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087805","7.3719","0.0012","8.4847","0.0012","9.1417","0.0013","81.053","0.012","66.775","0.015","73.087","0.013","502.19","0.14","110","0.14","110","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 F4 N2 Pd2 -","- C18 H20 Cl2 F4 N2 Pd2 -","- C18 H20 Cl2 F4 N2 Pd2 -","1","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0891","0.0914","","","","","","1.162","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087806","5.67526","0.00012","26.565","0.0006","6.85327","0.00014","90","","94.9534","0.0019","90","","1029.36","0.04","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 F4 N2 Pd2 -","- C18 H20 Cl2 F4 N2 Pd2 -","- C36 H40 Cl4 F8 N4 Pd4 -","2","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0428","0.039","","","0.065","0.0662","","","","","","1.352","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087807","7.6283","0.0008","8.0141","0.0006","10.8354","0.001","88.359","0.007","83.544","0.009","62.039","0.01","581.16","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl4 F4 N2 Pd -","- C18 H24 Cl4 F4 N2 Pd -","- C18 H24 Cl4 F4 N2 Pd -","1","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0461","0.0386","","","0.0884","0.0951","","","","","","1.086","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087808","10.9551","0.0004","8.3786","0.0006","12.6805","0.0004","90","","95.351","0.003","90","","1158.85","0.1","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 F4 N2 O4 Pd2 -","- C22 H26 F4 N2 O4 Pd2 -","- C44 H52 F8 N4 O8 Pd4 -","2","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0336","0.0277","","","0.0727","0.0746","","","","","","0.997","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087809","17.47","0.0004","7.50467","0.00016","17.5432","0.0003","90","","92.9917","0.0019","90","","2296.89","0.08","110.05","0.1","110.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 F2 N2 O4 Pd2 -","- C22 H28 F2 N2 O4 Pd2 -","- C88 H112 F8 N8 O16 Pd8 -","4","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0346","0.0283","","","0.0577","0.0625","","","","","","1.055","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087810","17.6919","0.0003","7.43257","0.00015","17.7733","0.0003","90","","92.3531","0.0017","90","","2335.15","0.07","110.05","0.1","110.05","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 F4 N2 O4 Pd2 -","- C22 H26 F4 N2 O4 Pd2 -","- C88 H104 F16 N8 O16 Pd8 -","4","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","","0.71073","MoKα","","0.0289","0.024","","","0.0536","0.0566","","","","","","1.053","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087811","7.1636","0.0007","8.0381","0.0008","9.4603","0.0009","70.599","0.009","72.092","0.009","80.881","0.008","487.95","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl2 F2 N2 Pd2 -","- C18 H22 Cl2 F2 N2 Pd2 -","- C18 H22 Cl2 F2 N2 Pd2 -","1","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0296","0.0257","","","0.0522","0.0557","","","","","","1.051","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087812","7.5434","0.0004","16.2089","0.0005","8.2984","0.0003","90","","106.421","0.004","90","","973.26","0.07","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 F2 N2 Pd2 -","- C18 H22 Cl2 F2 N2 Pd2 -","- C36 H44 Cl4 F4 N4 Pd4 -","2","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0812","0.0865","","","","","","1.14","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087813","8.826","0.0002","11.8134","0.0002","10.03","0.0002","90","","108.378","0.003","90","","992.44","0.04","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 F4 N2 Pd -","- C18 H22 Cl2 F4 N2 Pd -","- C36 H44 Cl4 F8 N4 Pd2 -","2","0.5","","Milani, Jessica; Pridmore, Natalie E.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Perutz, Robin N.","The Role of Fluorine Substituents in the Regioselectivity of Intramolecular C‒H Bond Functionalization of Benzylamines at Palladium(II)","Organometallics","2015","34","17","4376","","10.1021/acs.organomet.5b00608","","x-ray","0.71073","MoKα","","0.0294","0.0242","","","0.0508","0.055","","","","","","1.076","","","","has coordinates","237013","2020-10-21","18:00:00",""
"4087814","9.4111","0.0003","18.4555","0.0005","21.4276","0.0008","90","","93.483","0.003","90","","3714.8","0.2","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Fe Si -","- C21 H28 Fe Si -","- C168 H224 Fe8 Si8 -","8","2","","Simonneau, Antoine; Biberger, Tobias; Oestreich, Martin","The Cyclohexadienyl-Leaving-Group Approach toward Donor-Stabilized Silylium Ions","Organometallics","2015","34","16","3927","","10.1021/acs.organomet.5b00609","","x-ray","1.54184","CuKα","","0.0896","0.0624","","","0.1534","0.1672","","","","","","1.075","","","","has coordinates","237016","2020-10-21","18:00:00",""
"4087815","11.0137","0.0017","14.194","0.002","15.681","0.002","67.4577","0.0018","75.8753","0.0019","84.5088","0.0019","2195.6","0.5","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H37 Y -","- C24 H37 Y -","- C96 H148 Y4 -","4","2","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.0398","0.0312","","","0.0772","0.0808","","","","","","1.071","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4087816","14.7891","0.0007","14.7891","0.0007","18.9371","0.0009","90","","90","","90","","4141.9","0.3","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 S Y2 -","- C40 H60 S Y2 -","- C160 H240 S4 Y8 -","4","0.5","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.0357","0.0286","","","0.0611","0.0633","","","","","","1.051","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4087817","14.6701","0.0007","14.6701","0.0007","18.9233","0.0009","90","","90","","90","","4072.5","0.3","88","2","88","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C40 H60 Lu2 S -","- C40 H60 Lu2 S -","- C160 H240 Lu8 S4 -","4","0.5","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.0148","0.0141","","","0.0331","0.0334","","","","","","1.093","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4087818","10.5471","0.0005","11.3849","0.0006","16.6188","0.0009","77.2811","0.0007","76.8625","0.0007","85.1302","0.0007","1894.36","0.17","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 Lu2 S -","- C40 H60 Lu2 S -","- C80 H120 Lu4 S2 -","2","1","","Fieser, Megan E.; Johnson, Casey W.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Dinitrogen Reduction, Sulfur Reduction, and Isoprene Polymerization via Photochemical Activation of Trivalent Bis(cyclopentadienyl) Rare-Earth-Metal Allyl Complexes","Organometallics","2015","34","17","4387","","10.1021/acs.organomet.5b00613","","","0.71073","MoKα","","0.034","0.0269","","","0.0619","0.065","","","","","","1.035","","","","has coordinates","237018","2020-10-21","18:00:00",""
"4087819","28.3585","0.0019","12.4833","0.0008","19.3717","0.0013","90","","122.698","0.001","90","","5771","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Cl2 Hf2 Si2 Sn -","- C62 H76 Cl2 Hf2 Si2 Sn -","- C248 H304 Cl8 Hf8 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Saito, Masaichi","Synthesis of a Stannole Dianion Complex Bearing a μ-η1;η1-Coordination Mode: Different Electronic State of Stannole Dianion Ligands Depending on Their Hapticity","Organometallics","2015","34","17","4202","","10.1021/acs.organomet.5b00614","","","0.71073","MoKα","","0.03","0.0256","","","0.0577","0.0602","","","","","","1.055","","","","has coordinates,has disorder","237020","2020-10-21","18:00:00",""
"4087820","18.4042","0.0002","14.33389","0.00019","30.2111","0.0005","90","","98.0981","0.0014","90","","7890.33","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H59 Cl Ir N2 O -","- C44 H59 Cl Ir N2 O -","- C352 H472 Cl8 Ir8 N16 O8 -","8","2","","Gülcemal, Derya; Gülcemal, Süleyman; Robertson, Craig M.; Xiao, Jianliang","A New Phenoxide Chelated IrIII N-Heterocyclic Carbene Complex and Its Application in Reductive Amination Reactions","Organometallics","2015","34","17","4394","","10.1021/acs.organomet.5b00625","","x-ray","0.71073","MoKα","","0.0645","0.0433","","","0.0669","0.0735","","","","","","1.044","","","","has coordinates","237023","2020-10-21","18:00:00",""
"4087821","23.4669","0.0005","15.9665","0.0003","36.3909","0.0008","90","","98.216","0.001","90","","13495.2","0.5","100","2","100","","","","","","","","Schomaker-LabCode SCS2207","5","P 1 21/c 1","-P 2ybc","14","carbenoid copper complex","","","- C35 H52 Cl Cu N2 -","- C35 H52 Cl Cu N2 -","- C560 H832 Cl16 Cu16 N32 -","16","4","","Schmid, Steven C.; Van Hoveln, Ryan; Rigoli, Jared W.; Schomaker, Jennifer M.","Development of N-Heterocyclic Carbene‒Copper Complexes for 1,3-Halogen Migration","Organometallics","2015","34","16","4164","","10.1021/acs.organomet.5b00629","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0369","","","0.0935","0.0978","","","","","","1.081","","","","has coordinates,has disorder","237025","2020-10-21","18:00:00",""
"4087822","12.008","0.004","18.286","0.007","21.544","0.007","65.84","0.02","82.773","0.013","84.096","0.011","4275","3","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H70 Cl2 Cu N2 -","- C44 H70 Cl2 Cu N2 -","- C176 H280 Cl8 Cu4 N8 -","4","2","","Schmid, Steven C.; Van Hoveln, Ryan; Rigoli, Jared W.; Schomaker, Jennifer M.","Development of N-Heterocyclic Carbene‒Copper Complexes for 1,3-Halogen Migration","Organometallics","2015","34","16","4164","","10.1021/acs.organomet.5b00629","","x-ray","0.71073","MoKα","","0.0748","0.0418","","","0.0818","0.092","","","","","","1.007","","","","has coordinates","237026","2020-10-21","18:00:00",""
"4087823","14.3487","0.0019","12.2658","0.0016","23.416","0.003","90","","98.779","0.001","90","","4072.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Fe N2 -","- C48 H60 Fe N2 -","- C192 H240 Fe4 N8 -","4","1","","Wekesa, Francis S.; Arias-Ugarte, Renzo; Kong, Lydia; Sumner, Zachary; McGovern, Gregory P.; Findlater, Michael","Iron-Catalyzed Hydrosilylation of Aldehydes and Ketones under Solvent-Free Conditions","Organometallics","2015","34","20","5051","","10.1021/acs.organomet.5b00630","","","0.71073","MoKα","","0.0875","0.0517","","","0.1145","0.129","","","","","","1.029","","","","has coordinates","237029","2020-10-21","18:00:00",""
"4087824","27.177","0.004","11.8714","0.0019","22.42","0.004","90","","114.091","0.002","90","","6603.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl2 Fe N2 -","- C36 H40 Cl2 Fe N2 -","- C288 H320 Cl16 Fe8 N16 -","8","2","","Wekesa, Francis S.; Arias-Ugarte, Renzo; Kong, Lydia; Sumner, Zachary; McGovern, Gregory P.; Findlater, Michael","Iron-Catalyzed Hydrosilylation of Aldehydes and Ketones under Solvent-Free Conditions","Organometallics","2015","34","20","5051","","10.1021/acs.organomet.5b00630","","","0.71073","MoKα","","0.0722","0.0544","","","0.1368","0.152","","","","","","1.064","","","","has coordinates","237031","2020-10-21","18:00:00",""
"4087825","13.5389","0.0007","14.0092","0.0008","17.1535","0.0011","70.077","0.004","77.005","0.004","62.377","0.003","2701.4","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H72 Br Cl6 O3 P Pd S -","- C52 H72 Br Cl6 O3 P Pd S -","- C104 H144 Br2 Cl12 O6 P2 Pd2 S2 -","2","1","","Milner, Phillip J.; Yang, Yang; Buchwald, Stephen L.","In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides.","Organometallics","2015","34","19","4775","4780","10.1021/acs.organomet.5b00631","","","1.54178","CuKα","","0.0701","0.0618","","","0.171","0.1784","","","","","","1.035","","","","has coordinates,has disorder","237033","2020-10-21","18:00:00",""
"4087826","11.461","0.0003","13.5662","0.0003","15.6083","0.0004","66.5161","0.0012","89.9625","0.0013","74.4572","0.0012","2128.89","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H64 Br O2 P Pd S -","- C47 H64 Br O2 P Pd S -","- C94 H128 Br2 O4 P2 Pd2 S2 -","2","1","","Milner, Phillip J.; Yang, Yang; Buchwald, Stephen L.","In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides.","Organometallics","2015","34","19","4775","4780","10.1021/acs.organomet.5b00631","","","0.71073","MoKα","","0.0288","0.024","","","0.0586","0.0608","","","","","","1.082","","","","has coordinates,has disorder","237034","2020-10-21","18:00:00",""
"4087827","14.3657","0.001","15.9024","0.0011","19.4371","0.0014","90","","90.871","0.001","90","","4439.9","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 Fe N2 -","- C51 H50 Fe N2 -","- C204 H200 Fe4 N8 -","4","1","","Liu, Yuesheng; Wang, Lei; Deng, Liang","Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity","Organometallics","2015","34","17","4401","","10.1021/acs.organomet.5b00632","","","0.71073","MoKα","","0.0692","0.0424","","","0.0993","0.1071","","","","","","1.05","","","","has coordinates","237036","2020-10-21","18:00:00",""
"4087828","9.9525","0.0009","14.7619","0.0014","15.0727","0.0014","85.76","0.002","77.785","0.002","83.179","0.002","2146.3","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Fe N2 O3 -","- C54 H50 Fe N2 O3 -","- C108 H100 Fe2 N4 O6 -","2","1","","Liu, Yuesheng; Wang, Lei; Deng, Liang","Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity","Organometallics","2015","34","17","4401","","10.1021/acs.organomet.5b00632","","","0.71073","MoKα","","0.0772","0.0479","","","0.1054","0.1175","","","","","","1.052","","","","has coordinates","237036","2020-10-21","18:00:00",""
"4087829","10.857","0.0009","24.803","0.002","18.03","0.0014","90","","99.262","0.002","90","","4791.9","0.7","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 Fe N5 -","- C58 H61 Fe N5 -","- C232 H244 Fe4 N20 -","4","1","","Liu, Yuesheng; Wang, Lei; Deng, Liang","Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity","Organometallics","2015","34","17","4401","","10.1021/acs.organomet.5b00632","","","0.71073","MoKα","","0.1145","0.0521","","","0.1027","0.1235","","","","","","0.995","","","","has coordinates","237036","2020-10-21","18:00:00",""
"4087830","12.091","0.005","14.611","0.006","16.613","0.007","97.527","0.01","101.221","0.009","97.125","0.009","2820","2","140","2","140.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H60 Fe N8 -","- C63 H60 Fe N8 -","- C126 H120 Fe2 N16 -","2","1","","Liu, Yuesheng; Wang, Lei; Deng, Liang","Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity","Organometallics","2015","34","17","4401","","10.1021/acs.organomet.5b00632","","","0.71073","MoKα","","0.1287","0.0725","","","0.197","0.2388","","","","","","0.921","","","","has coordinates","237036","2020-10-21","18:00:00",""
"4087831","16.5372","0.0008","17.6547","0.0009","21.0898","0.0011","90","","90","","90","","6157.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H28 F18 Mo N2 O3 -","- C24 H28 F18 Mo N2 O3 -","- C192 H224 F144 Mo8 N16 O24 -","8","1","","Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter","Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand","Organometallics","2015","34","17","4408","","10.1021/acs.organomet.5b00633","","","0.71073","MoKα","","0.0314","0.0249","","","0.0593","0.0627","","","","","","1.038","","","","has coordinates,has disorder","237038","2020-10-21","18:00:00",""
"4087832","12.8518","0.0011","17.2888","0.0016","15.1767","0.0014","90","","97.007","0.001","90","","3347","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 F6 N O2 W -","- C33 H45 F6 N O2 W -","- C132 H180 F24 N4 O8 W4 -","4","1","","Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter","Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand","Organometallics","2015","34","17","4408","","10.1021/acs.organomet.5b00633","","","0.71073","MoKα","","0.0191","0.0158","","","0.0363","0.0373","","","","","","1.058","","","","has coordinates","237038","2020-10-21","18:00:00",""
"4087833","11.8049","0.0003","11.8059","0.0004","12.5211","0.0003","63.067","0.003","76.1846","0.0019","79.043","0.002","1503.98","0.08","150","","150","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C33 H29 Br N2 O2 Si W -","- C33 H29 Br N2 O2 Si W -","- C66 H58 Br2 N4 O4 Si2 W2 -","2","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","1.54184","CuKα","","0.0238","0.0229","","0.0599","0.0593","0.0599","","","","","","1.0247","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087834","14.512","0.0001","18.8706","0.0002","16.8137","0.0002","90","","95.4929","0.0007","90","","4583.29","0.08","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 Br O2 P2 Si W -","- C47 H63 Br O2 P2 Si W -","- C188 H252 Br4 O8 P8 Si4 W4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","0.71073","MoKα","","0.0691","0.0414","","0.0968","0.087","0.0968","","","","","","0.9558","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087835","15.2616","0.0002","18.3376","0.0002","19.1608","0.0002","90","","94.3896","0.0008","90","","5346.63","0.11","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 Br O2.5 P3 Si W -","- C62 H54 Br O2.5 P3 Si W -","- C248 H216 Br4 O10 P12 Si4 W4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","0.71073","MoKα","","0.0747","0.0502","","0.1313","0.109","0.1313","","","","","","0.9326","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087836","9.3085","0.0003","15.1128","0.0004","19.6064","0.0004","90","","96.3395","0.0018","90","","2741.31","0.13","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Br N2 O2 Si W -","- C27 H31 Br N2 O2 Si W -","- C108 H124 Br4 N8 O8 Si4 W4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","0.71073","MoKα","","0.1197","0.0656","","0.1908","0.1677","0.1908","","","","","","0.9249","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087837","11.9089","0.0001","14.5019","0.0001","19.5129","0.0001","90","","94.914","0.0004","90","","3357.52","0.04","150","","150","","","","","","","","Research School of Chemistry","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Br O2 P2 W -","- C32 H56 Br O2 P2 W -","- C128 H224 Br4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","1.54184","CuKα","","0.0272","0.027","","0.0574","0.0574","0.0574","","","","","","0.9524","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087838","11.8097","0.0001","17.858","0.0002","15.544","0.0002","90","","91.4051","0.0009","90","","3277.21","0.06","150","","150","","","","","","","","Research School of Chemistry","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48.75 Br Cl0.25 O2 P2 W -","- C30 H48.75 Br Cl0.25 O2 P2 W -","- C120 H195 Br4 Cl O8 P8 W4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","1.5418","CuKα","","0.0692","0.0671","","0.1504","0.1498","0.1504","","","","","","0.9447","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087839","18.3442","0.0002","11.5732","0.0001","15.1368","0.0002","90","","90","","90","","3213.56","0.06","150","","150","","","","","","","","Research School of Chemistry","5","P n a 21","P 2c -2n","33","","","","- C34 H51 F2 N Si -","- C34 H51 F2 N Si -","- C136 H204 F8 N4 Si4 -","4","1","","Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao","Synthesis of a Stable Methylidyne Complex","Organometallics","2015","34","20","5057","","10.1021/acs.organomet.5b00635","","","1.54184","CuKα","","0.0315","0.0309","","0.0827","0.082","0.0827","","","","","","0.9988","","","","has coordinates","237040","2020-10-21","18:00:00",""
"4087840","10.1912","0.0007","23.0093","0.0015","12","0.0008","90","","110.805","0.0011","90","","2630.4","0.3","113","","113","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl Ir N6 O P2 -","- C25 H24 Cl Ir N6 O P2 -","- C100 H96 Cl4 Ir4 N24 O4 P8 -","4","2","","Tahara, Atsushi; Miyamoto, Yasumitsu; Aoto, Ryuta; Shigeta, Keisuke; Une, Yuta; Sunada, Yusuke; Motoyama, Yukihiro; Nagashima, Hideo","Catalyst Design of Vaska-Type Iridium Complexes for Highly Efficient Synthesis of π-Conjugated Enamines","Organometallics","2015","34","20","4895","","10.1021/acs.organomet.5b00636","","","0.71075","MoKα","","0.0557","0.0554","","","0.1344","0.135","","","","","","1.359","","","","has coordinates","237042","2020-10-21","18:00:00",""
"4087841","22.449","0.003","10.1132","0.001","20.085","0.002","90","","95.576","0.002","90","","4538.3","0.9","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 Cl F30 Ir O8 P2 -","- C41 Cl F30 Ir O8 P2 -","- C164 Cl4 F120 Ir4 O32 P8 -","4","1","","Tahara, Atsushi; Miyamoto, Yasumitsu; Aoto, Ryuta; Shigeta, Keisuke; Une, Yuta; Sunada, Yusuke; Motoyama, Yukihiro; Nagashima, Hideo","Catalyst Design of Vaska-Type Iridium Complexes for Highly Efficient Synthesis of π-Conjugated Enamines","Organometallics","2015","34","20","4895","","10.1021/acs.organomet.5b00636","","","0.71075","MoKα","","0.1048","0.0777","","","0.1361","0.1479","","","","","","1.115","","","","has coordinates","237042","2020-10-21","18:00:00",""
"4087842","32.691","0.006","17.88","0.003","13.552","0.003","90","","105.424","0.003","90","","7636","3","123.1","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Cl F36 Ir O7 P2 -","- C19 H6 Cl F36 Ir O7 P2 -","- C152 H48 Cl8 F288 Ir8 O56 P16 -","8","1","","Tahara, Atsushi; Miyamoto, Yasumitsu; Aoto, Ryuta; Shigeta, Keisuke; Une, Yuta; Sunada, Yusuke; Motoyama, Yukihiro; Nagashima, Hideo","Catalyst Design of Vaska-Type Iridium Complexes for Highly Efficient Synthesis of π-Conjugated Enamines","Organometallics","2015","34","20","4895","","10.1021/acs.organomet.5b00636","","","0.7107","MoKα","","","0.034","","","","0.0895","","","","","","1.002","","","","has coordinates","237042","2020-10-21","18:00:00",""
"4087850","10.7927","0.0008","17.8559","0.0013","21.3432","0.0015","90","","103.716","0.002","90","","3995.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Cl4 Fe O P3 -","- C44 H35 Cl4 Fe O P3 -","- C176 H140 Cl16 Fe4 O4 P12 -","4","1","","Li, Ping; de Bruin, Bas; Reek, Joost N. H.; Dzik, Wojciech I.","Photo- and Thermal Isomerization of (TP)Fe(CO)Cl2 [TP = Bis(2-diphenylphosphinophenyl)phenylphosphine]","Organometallics","2015","34","20","5009","","10.1021/acs.organomet.5b00644","","","0.71073","MoKα","","0.0795","0.0461","","","0.0982","0.1119","","","","","","1.037","","","","has coordinates","237048","2020-10-21","18:00:00",""
"4087851","9.9523","0.0006","23.948","0.0014","18.0094","0.001","90","","97.046","0.002","90","","4259.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl6 Fe O P3 -","- C45 H37 Cl6 Fe O P3 -","- C180 H148 Cl24 Fe4 O4 P12 -","4","1","","Li, Ping; de Bruin, Bas; Reek, Joost N. H.; Dzik, Wojciech I.","Photo- and Thermal Isomerization of (TP)Fe(CO)Cl2 [TP = Bis(2-diphenylphosphinophenyl)phenylphosphine]","Organometallics","2015","34","20","5009","","10.1021/acs.organomet.5b00644","","","0.71073","MoKα","","0.0761","0.0479","","","0.0984","0.1088","","","","","","1.056","","","","has coordinates,has disorder","237050","2020-10-21","18:00:00",""
"4087852","13.1108","0.0003","15.3741","0.0003","15.5758","0.0006","70.796","0.002","74.737","0.002","85.671","0.002","2860.07","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H53 B Cl4 F4 Ir O P3 -","- C64 H53 B Cl4 F4 Ir O P3 -","- C128 H106 B2 Cl8 F8 Ir2 O2 P6 -","2","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0376","0.0331","","","0.0754","0.0773","","","","","","1","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087853","13.2622","0.0003","14.0524","0.0003","17.8676","0.0003","94.121","0.002","91.331","0.002","96.71","0.002","3296.87","0.12","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H60 B Cl5 F4 Ir O P3 -","- C75 H60 B Cl5 F4 Ir O P3 -","- C150 H120 B2 Cl10 F8 Ir2 O2 P6 -","2","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0468","0.0399","","","0.0877","0.0906","","","","","","1.002","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087854","11.4534","0.0004","21.7612","0.0005","25.5808","0.0006","90","","116.515","0.001","90","","5705.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64.13 H54.25 Cl6.25 Ir P3 -","- C64.13 H54.26 Cl6.26 Ir P3 -","- C256.52 H217.04 Cl25.04 Ir4 P12 -","4","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.064","0.0446","","","0.1242","0.1715","","","","","","1","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087855","22.2267","0.0009","12.0778","0.0005","24.5724","0.001","90","","106.49","0.001","90","","6325.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H53.5 Cl6.5 Ir P3 -","- C67.5 H53.5 Cl6.5 Ir P3 -","- C270 H214 Cl26 Ir4 P12 -","4","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.059","0.0471","","","0.1549","0.1786","","","","","","1","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087856","13.6297","0.0009","13.8053","0.001","18.5801","0.0012","97.545","0.002","93.363","0.002","118.13","0.002","3027.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H60 Cl4 Ir O2 P3 -","- C73 H60 Cl4 Ir O2 P3 -","- C146 H120 Cl8 Ir2 O4 P6 -","2","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0902","0.0593","","","0.145","0.1852","","","","","","0.999","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087857","19.3863","0.0012","12.2127","0.0009","22.1604","0.0014","90","","90.674","0.005","90","","5246.3","0.6","128","","128","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H49 Cl3 Ir P3 S -","- C60.5 H49 Cl3 Ir P3 S -","- C242 H196 Cl12 Ir4 P12 S4 -","4","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0899","0.0643","","","0.1285","0.1385","","","","","","1.118","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087858","11.2574","0.0003","23.5951","0.0006","20.7165","0.0006","90","","91.047","0.001","90","","5501.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 Cl5 F6 Ir N2 P3 -","- C56 H47 Cl5 F6 Ir N2 P3 -","- C224 H188 Cl20 F24 Ir4 N8 P12 -","4","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0808","0.0571","","","0.1392","0.1611","","","","","","1.117","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087859","13.7086","0.0004","14.1299","0.0006","19.5908","0.0006","81.13","0.003","71.438","0.003","67.277","0.004","3316","0.2","172.95","0.1","172.95","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C64 H65 Cl7 F6 Ir N2 O2 P3 -","- C64 H65 Cl7 F6 Ir N2 O2 P3 -","- C128 H130 Cl14 F12 Ir2 N4 O4 P6 -","2","1","","Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping","Sequential Construction Strategy for Rational Design of Luminescent Iridacycles","Organometallics","2015","34","17","4229","","10.1021/acs.organomet.5b00652","","","0.71073","MoKα","","0.0598","0.0545","","","0.1407","0.1443","","","","","","1.017","","","","has coordinates","237052","2020-10-21","18:00:00",""
"4087860","16.1463","0.0004","12.769","0.0002","23.6131","0.0005","90","","130.002","0.001","90","","3729.27","0.15","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","[(PMe)3Au(MeCN)]4-(POM)2","","","- C28 H60 Au4 N8 O40 P4 Si W12 -","- C28 H60 Au4 N8 O40 P4 Si W12 -","- C56 H120 Au8 N16 O80 P8 Si2 W24 -","2","0.5","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","x-ray","0.71073","MoKα","","0.0631","0.0532","","","0.1346","0.1395","","","","","","1.143","","","","has coordinates,has disorder","237056","2020-10-21","18:00:00",""
"4087861","11.2525","0.0006","16.6758","0.0009","16.7333","0.0009","109.983","0.001","102.077","0.001","100.26","0.001","2777.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H72 Au4 N4 O40 P4 Si W12 -","- C80 H72 Au4 N4 O40 P4 Si W12 -","- C80 H72 Au4 N4 O40 P4 Si W12 -","1","0.5","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.096","0.0802","","","0.1664","0.1717","","","","","","1.148","","","","has coordinates","237058","2020-10-21","18:00:00",""
"4087862","19.364","0.005","19.364","0.005","19.277","0.005","90","0.005","90","0.005","120","0.005","6260","3","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C60 H54 Au3 N3 O40 P4 W12 -","- C60 H54 Au3 N3 O40 P4 W12 -","- C180 H162 Au9 N9 O120 P12 W36 -","3","0.333333","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.0236","0.0215","","","0.0416","0.0421","","","","","","1.025","","","","has coordinates","237059","2020-10-21","18:00:00",""
"4087863","19.2972","0.0009","19.2972","0.0009","19.2127","0.0005","90","","90","","120","","6195.9","0.4","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C60 H54 Au3 Mo12 N3 O40 P4 -","- C60 H54 Au3 Mo12 N3 O40 P4 -","- C180 H162 Au9 Mo36 N9 O120 P12 -","3","0.333333","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.0554","0.04","","","0.0923","0.1231","","","","","","1.123","","","","has coordinates","237060","2020-10-21","18:00:00",""
"4087864","13.0673","0.0003","15.7714","0.0005","17.3538","0.0005","98.893","0.001","107.501","0.002","107.498","0.002","3132.82","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H96 Au4 N2 O40 P6 Si W12 -","- C112 H96 Au4 N2 O40 P6 Si W12 -","- C112 H96 Au4 N2 O40 P6 Si W12 -","1","0.5","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","","0.71073","MoKα","","0.1217","0.0851","","","0.2135","0.2438","","","","","","1.245","","","","has coordinates","237062","2020-10-21","18:00:00",""
"4087865","20.4409","0.0005","20.5221","0.0005","20.9542","0.0003","87.881","0.001","77.569","0.001","60.694","0.001","7461.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(PPh3)Au(MeCN)POM","","","- C108 H102 Au5 N9 O64 P7 W18 -","- C108 H102 Au5 N9 O64 P7 W18 -","- C216 H204 Au10 N18 O128 P14 W36 -","2","1","","Hueber, Damien; Hoffmann, Marie; de Frémont, Pierre; Pale, Patrick; Blanc, Aurélien","Polyoxometalate-Gold(I)/H+ Complexes: Air-Stable, Efficient, Polyvalent, and Bifunctional Catalysts","Organometallics","2015","34","20","5065","","10.1021/acs.organomet.5b00656","","x-ray","0.71073","MoKα","","0.1099","0.0658","","","0.1318","0.147","","","","","","1.026","","","","has coordinates","237063","2020-10-21","18:00:00",""
"4087866","13.50552","0.00017","22.2205","0.0003","30.8469","0.0005","90","","98.4554","0.0013","90","","9156.5","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H80 B Cl F24 Ir2 N8 O8 -","- C76 H76 B Cl F24 Ir2 N8 O8 -","- C304 H304 B4 Cl4 F96 Ir8 N32 O32 -","4","1","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","x-ray","0.71073","MoKα","","0.0617","0.0392","","","0.0919","0.1008","","","","","","1.02","","","","has coordinates,has disorder","237066","2020-10-21","18:00:00",""
"4087867","14.383","0.0003","15.0025","0.0004","18.0812","0.0005","106.251","0.002","108.604","0.002","104.913","0.0019","3282.26","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B F24 Ir N6 O4 -","- C64 H54 B F24 Ir N6 O4 -","- C128 H108 B2 F48 Ir2 N12 O8 -","2","1","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","","0.71073","MoKα","","0.0316","0.0273","","","0.0647","0.0666","","","","","","1.035","","","","has coordinates,has disorder","237066","2020-10-21","18:00:00",""
"4087868","18.212","0.0003","19.9992","0.0002","20.9223","0.0003","99.7323","0.0012","99.5664","0.0014","100.414","0.0012","7233.28","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H66 B F26 Ir N6 O6 -","- C71 H64 B F26 Ir N6 O6 -","- C284 H256 B4 F104 Ir4 N24 O24 -","4","2","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","x-ray","0.71073","MoKα","","0.0411","0.0304","","","0.0712","0.0762","","","","","","1.011","","","","has coordinates,has disorder","237066","2020-10-21","18:00:00",""
"4087869","17.9906","0.0002","18.4566","0.0003","19.5861","0.0002","90","","112.362","0.0014","90","","6014.39","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 B F24 Ir N4 O4 -","- C58 H52 B F24 Ir N4 O4 -","- C232 H208 B4 F96 Ir4 N16 O16 -","4","1","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","","0.71073","MoKα","","0.0376","0.0306","","","0.069","0.0719","","","","","","1.039","","","","has coordinates,has disorder","237066","2020-10-21","18:00:00",""
"4087870","13.9785","0.0002","25.164","0.0004","18.1797","0.0003","90","","103.821","0.0018","90","","6209.66","0.17","149.99","0.19","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 B F24 Ir N4 O4 -","- C62 H56 B F24 Ir N4 O4 -","- C248 H224 B4 F96 Ir4 N16 O16 -","4","1","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","","0.71073","MoKα","","0.0266","0.0236","","","0.0521","0.0532","","","","","","1.075","","","","has coordinates,has disorder","275246","2022-05-09","01:28:30",""
"4087871","20.5168","0.0003","17.3725","0.0003","34.3622","0.0008","90","","98.034","0.002","90","","12127.4","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 B F24 Ir N4 O6 -","- C56 H44 B F24 Ir N4 O6 -","- C448 H352 B8 F192 Ir8 N32 O48 -","8","1","","Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.","Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene","Organometallics","2015","34","17","4419","","10.1021/acs.organomet.5b00658","","x-ray","0.71073","MoKα","","0.0415","0.0301","","","0.0624","0.0664","","","","","","1.013","","","","has coordinates,has disorder","237066","2020-10-21","18:00:00",""
"4087872","15.1568","0.0003","9.2688","0.0002","15.4616","0.0004","90","","99.887","0.001","90","","2139.87","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl2 N2 O P S -","- C21 H21 Cl2 N2 O P S -","- C84 H84 Cl8 N8 O4 P4 S4 -","4","1","","Koshti, Vijay S.; Mote, Nilesh R.; Gonnade, Rajesh G.; Chikkali, Samir H.","Highly Enantioselective Pd-Catalyzed Synthesis of P-Stereogenic Supramolecular Phosphines, Self-Assembly, and Implication","Organometallics","2015","34","20","4802","","10.1021/acs.organomet.5b00664","","","0.71073","MoKα","","0.0704","0.0627","","","0.1209","0.1248","","","","","","0.939","","","","has coordinates","237069","2020-10-21","18:00:00",""
"4087873","15.7782","0.0004","8.3688","0.0002","17.7446","0.0004","90","","110.066","0.002","90","","2200.85","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 I N4 O2 Pd S -","- C15 H29 I N4 O2 Pd S -","- C60 H116 I4 N16 O8 Pd4 S4 -","4","1","","Koshti, Vijay S.; Mote, Nilesh R.; Gonnade, Rajesh G.; Chikkali, Samir H.","Highly Enantioselective Pd-Catalyzed Synthesis of P-Stereogenic Supramolecular Phosphines, Self-Assembly, and Implication","Organometallics","2015","34","20","4802","","10.1021/acs.organomet.5b00664","","","0.71073","MoKα","","0.0657","0.0456","","","0.0923","0.1014","","","","","","1.014","","","","has coordinates","237070","2020-10-21","18:00:00",""
"4087874","7.7036","0.0002","25.5674","0.0006","11.3476","0.0004","90","","103.421","0.001","90","","2174","0.11","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 B N -","- C10 H16 B N -","- C80 H128 B8 N8 -","8","2","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard","Trisubstituted Boroles by 1,1-Carboboration","Organometallics","2015","34","17","4205","","10.1021/acs.organomet.5b00668","","","0.71073","MoKα","","0.0767","0.0592","","","0.138","0.1496","","","","","","1.099","","","","has coordinates","237072","2020-10-21","18:00:00",""
"4087875","7.9556","0.0001","22.476","0.0004","19.1903","0.0003","90","","92.93","0.0009","90","","3426.93","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 B2 Cl2 F15 N2 -","- C34 H23 B2 Cl2 F15 N2 -","- C136 H92 B8 Cl8 F60 N8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard","Trisubstituted Boroles by 1,1-Carboboration","Organometallics","2015","34","17","4205","","10.1021/acs.organomet.5b00668","","","1.54178","CuKα","","0.0767","0.0571","","","0.1351","0.1479","","","","","","1.059","","","","has coordinates,has disorder","237072","2020-10-21","18:00:00",""
"4087876","13.9545","0.0003","23.65","0.0005","20.8837","0.0004","90","","107.488","0.0009","90","","6573.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H47 B4 F30 N2 -","- C71 H47 B4 F30 N2 -","- C284 H188 B16 F120 N8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard","Trisubstituted Boroles by 1,1-Carboboration","Organometallics","2015","34","17","4205","","10.1021/acs.organomet.5b00668","","","1.54178","CuKα","","0.0575","0.0415","","","0.0976","0.1059","","","","","","1.034","","","","has coordinates,has disorder","237072","2020-10-21","18:00:00",""
"4087877","15.3278","0.0003","14.9097","0.0003","16.4048","0.0004","90","","91.669","0.001","90","","3747.45","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H29 B2 F15 N2 -","- C40 H29 B2 F15 N2 -","- C160 H116 B8 F60 N8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard","Trisubstituted Boroles by 1,1-Carboboration","Organometallics","2015","34","17","4205","","10.1021/acs.organomet.5b00668","","","0.71073","MoKα","","0.1095","0.0745","","","0.1492","0.171","","","","","","1.077","","","","has coordinates,has disorder","237072","2020-10-21","18:00:00",""
"4087878","9.3842","0.0002","11.6634","0.0003","19.0545","0.0004","102.733","0.002","95.828","0.002","91.207","0.001","2021.71","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H30 B2 F15 N O4 -","- C41 H30 B2 F15 N O4 -","- C82 H60 B4 F30 N2 O8 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard","Trisubstituted Boroles by 1,1-Carboboration","Organometallics","2015","34","17","4205","","10.1021/acs.organomet.5b00668","","","0.71073","MoKα","","0.1097","0.0709","","","0.1407","0.1645","","","","","","1.035","","","","has coordinates,has disorder","237072","2020-10-21","18:00:00",""
"4087879","13.2995","0.0003","21.6161","0.0005","14.5263","0.0003","90","","92.379","0.002","90","","4172.47","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B Cl2 F4 Fe -","- C49 H52 B Cl2 F4 Fe -","- C196 H208 B4 Cl8 F16 Fe4 -","4","1","","Chung, Jae-Yeon; Schulz, Christian; Bauer, Heiko; Sun, Yu; Sitzmann, Helmut; Auerbach, Hendrik; Pierik, Antonio J.; Schünemann, Volker; Neuba, Adam; Thiel, Werner R.","Cyclopentadienide Ligand CpC‒ Possessing Intrinsic Helical Chirality and Its Ferrocene Analogues","Organometallics","2015","34","22","5374","","10.1021/acs.organomet.5b00673","","","0.71073","MoKα","","0.1034","0.0716","","","0.1523","0.1693","","","","","","1.022","","","","has coordinates","237074","2020-10-21","18:00:00",""
"4087880","10.338","0.0003","13.3024","0.0004","13.4816","0.0004","103.627","0.003","90.852","0.002","95.177","0.002","1793.2","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 Fe -","- C48 H50 Fe -","- C96 H100 Fe2 -","2","1","","Chung, Jae-Yeon; Schulz, Christian; Bauer, Heiko; Sun, Yu; Sitzmann, Helmut; Auerbach, Hendrik; Pierik, Antonio J.; Schünemann, Volker; Neuba, Adam; Thiel, Werner R.","Cyclopentadienide Ligand CpC‒ Possessing Intrinsic Helical Chirality and Its Ferrocene Analogues","Organometallics","2015","34","22","5374","","10.1021/acs.organomet.5b00673","","","0.71073","MoKα","","0.0559","0.0423","","","0.103","0.1107","","","","","","1.041","","","","has coordinates","237076","2020-10-21","18:00:00",""
"4087881","9.7097","0.0002","13.5358","0.0003","16.3907","0.0003","90","","105.443","0.002","90","","2076.43","0.08","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 -","- C31 H22 -","- C124 H88 -","4","1","","Chung, Jae-Yeon; Schulz, Christian; Bauer, Heiko; Sun, Yu; Sitzmann, Helmut; Auerbach, Hendrik; Pierik, Antonio J.; Schünemann, Volker; Neuba, Adam; Thiel, Werner R.","Cyclopentadienide Ligand CpC‒ Possessing Intrinsic Helical Chirality and Its Ferrocene Analogues","Organometallics","2015","34","22","5374","","10.1021/acs.organomet.5b00673","","","1.54184","CuKα","","0.0408","0.0383","","","0.1139","0.119","","","","","","1.127","","","","has coordinates","237077","2020-10-21","18:00:00",""
"4087882","16.2151","0.0018","16.799","0.002","23.914","0.003","90","","109.426","0.005","90","","6143.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H57.85 B Cl0.15 Ni P3 -","- C60 H57.85 B Cl0.15 Ni P3 -","- C240 H231.4 B4 Cl0.6 Ni4 P12 -","4","1","","Jia, Xiaofei; Zhang, Mengru; Pan, Fan; Babahan, Ilknur; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalyst for CO‒Ethylene Alternating Copolymerization","Organometallics","2015","34","20","4798","","10.1021/acs.organomet.5b00676","","","1.54178","CuKα","","0.0568","0.0537","","","0.1368","0.1392","","","","","","1","","","","has coordinates,has disorder","237079","2020-10-21","18:00:00",""
"4087883","9.8162","0.0002","10.3883","0.0002","18.4751","0.0003","93.847","0.001","92.589","0.001","117.457","0.001","1661.82","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 B Ni O2 P2 -","- C38 H37 B Ni O2 P2 -","- C76 H74 B2 Ni2 O4 P4 -","2","1","","Jia, Xiaofei; Zhang, Mengru; Pan, Fan; Babahan, Ilknur; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Ziegler, Christopher J.","Zwitterionic Nickel(II) Catalyst for CO‒Ethylene Alternating Copolymerization","Organometallics","2015","34","20","4798","","10.1021/acs.organomet.5b00676","","","1.54178","CuKα","","0.0441","0.0368","","","0.1046","0.1113","","","","","","0.846","","","","has coordinates","237080","2020-10-21","18:00:00",""
"4087884","8.0823","0.0006","12.4028","0.0008","14.563","0.001","82.414","0.003","84.135","0.004","89.855","0.003","1439.4","0.17","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H33 B F3 N7 O4 S W -","- C23 H33 B F3 N7 O4 S W -","- C46 H66 B2 F6 N14 O8 S2 W2 -","2","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.0353","0.0337","","","0.0848","0.0858","","","","","","1.121","","","","has coordinates,has disorder","237082","2020-10-21","18:00:00",""
"4087885","12.7179","0.0011","18.9078","0.0017","19.0535","0.0017","90","","90","","90","","4581.7","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H59 B2 F4 N7 O3 W -","- C47 H59 B2 F4 N7 O3 W -","- C188 H236 B8 F16 N28 O12 W4 -","4","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.023","0.0223","","","0.052","0.0524","","","","","","1.064","","","","has coordinates,has disorder","237083","2020-10-21","18:00:00",""
"4087886","8.1886","0.0003","12.4277","0.0004","20.3819","0.0007","83.5274","0.0019","78.803","0.002","89.4183","0.0019","2021.58","0.12","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H49 B F6 N8 O7 S2 W -","- C30 H49 B F6 N8 O7 S2 W -","- C60 H98 B2 F12 N16 O14 S4 W2 -","2","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.0485","0.0431","","","0.1103","0.1143","","","","","","1.051","","","","has coordinates,has disorder","237084","2020-10-21","18:00:00",""
"4087887","9.9474","0.0006","10.1924","0.0006","12.0642","0.0008","91.531","0.005","104.687","0.004","108.251","0.004","1116.15","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 B N7 O W -","- C20 H28 B N7 O W -","- C40 H56 B2 N14 O2 W2 -","2","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.0629","0.0521","","","0.1347","0.1414","","","","","","1.033","","","","has coordinates","237086","2020-10-21","18:00:00",""
"4087888","11.494","0.0002","11.7784","0.0002","12.1042","0.0002","69.12","0.001","76.651","0.001","65.414","0.001","1385.66","0.04","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C21 H29 B2 Cl2 F4 N7 O W -","- C21 H29 B2 Cl2 F4 N7 O W -","- C42 H58 B4 Cl4 F8 N14 O2 W2 -","2","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.0263","0.0249","","","0.0615","0.0621","","","","","","1.135","","","","has coordinates","237087","2020-10-21","18:00:00",""
"4087889","9.9305","0.0002","14.6373","0.0003","22.0322","0.0005","90","","90","","90","","3202.51","0.12","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 Cl N O5 P Pt S -","- C34 H37 Cl N O5 P Pt S -","- C136 H148 Cl4 N4 O20 P4 Pt4 S4 -","4","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0265","0.0216","","","0.05","0.0709","","","","","","1.116","","","","has coordinates","237089","2020-10-21","18:00:00",""
"4087890","9.4029","0.0004","11.0824","0.0005","17.4783","0.0008","90","","91.226","0.003","90","","1820.94","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl2 O P Pt S -","- C16 H19 Cl2 O P Pt S -","- C64 H76 Cl8 O4 P4 Pt4 S4 -","4","2","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0221","0.0199","","","0.0482","0.0488","","","","","","1.016","","","","has coordinates","237091","2020-10-21","18:00:00",""
"4087891","10.2265","0.0005","14.4513","0.0007","16.0003","0.0007","90","","90","","90","","2364.62","0.19","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl4 O P Pt S -","- C21 H23 Cl4 O P Pt S -","- C84 H92 Cl16 O4 P4 Pt4 S4 -","4","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0186","0.016","","","0.0428","0.057","","","","","","1.087","","","","has coordinates","237092","2020-10-21","18:00:00",""
"4087892","10.1288","0.0002","10.6698","0.0002","10.8789","0.0003","109.302","0.001","98.413","0.001","117.491","0.001","919.46","0.04","103","2","103","2","","","","","","","","8","P 1","P 1","1","","","","- C40 H42 Cl2 N O5 P Pt S -","- C40 H42 Cl2 N O5 P Pt S -","- C40 H42 Cl2 N O5 P Pt S -","1","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0179","0.0176","","","0.0439","0.0614","","","","","","0.995","","","","has coordinates","237094","2020-10-21","18:00:00",""
"4087893","16.838","0.004","17.521","0.004","19.098","0.004","90","","90","","90","","5634","2","98","2","98","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H71 Cl4 Mn2 N4 -","- C54 H71 Cl4 Mn2 N4 -","- C216 H284 Cl16 Mn8 N16 -","4","1","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.064","0.0541","","","0.115","0.1242","","","","","","1.012","","","","has coordinates,has disorder","237096","2020-10-21","18:00:00",""
"4087894","11.407","0.0004","15.498","0.0008","19.868","0.0013","90","","113.77","0.007","90","","3214.4","0.3","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Mn N4 -","- C33 H40 Cl2 Mn N4 -","- C132 H160 Cl8 Mn4 N16 -","4","1","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.076","0.0738","","","0.1849","0.186","","","","","","1.007","","","","has coordinates,has disorder","237096","2020-10-21","18:00:00",""
"4087895","14.7188","0.0017","15.7868","0.0019","19.229","0.002","90","","90","","90","","4468.1","0.9","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Cl2 Mn N4 -","- C48 H54 Cl2 Mn N4 -","- C192 H216 Cl8 Mn4 N16 -","4","1","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0328","0.0323","","","0.0871","0.0878","","","","","","1.013","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087896","13.9188","0.0007","22.0513","0.001","22.4882","0.0015","113.43","0.008","101.278","0.007","100.916","0.007","5930.8","0.8","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Cl2 Mn2 N4 -","- C68 H84 Cl2 Mn2 N4 -","- C204 H252 Cl6 Mn6 N12 -","3","1.5","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0883","0.0616","","","0.1397","0.1468","","","","","","1.025","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087897","15.016","0.009","12.006","0.007","17.858","0.01","90","","105.875","0.008","90","","3097","3","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 Cl2 Mn2 N4 -","- C66 H82 Cl2 Mn2 N4 -","- C132 H164 Cl4 Mn4 N8 -","2","0.5","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0763","0.0641","","","0.1392","0.1462","","","","","","1.016","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087898","9.895","0.002","11.7","0.002","12.259","0.002","116.149","0.009","98.265","0.013","93.34","0.015","1248.9","0.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cl2 Mn2 N4 -","- C54 H58 Cl2 Mn2 N4 -","- C54 H58 Cl2 Mn2 N4 -","1","0.5","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0509","0.0428","","","0.1087","0.115","","","","","","0.998","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087899","12.418","0.007","14.287","0.008","16.117","0.009","90","","95.813","0.009","90","","2845","3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Mn2 N4 -","- C58 H84 Mn2 N4 -","- C116 H168 Mn4 N8 -","2","0.5","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0907","0.0727","","","0.1467","0.1582","","","","","","1.022","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087900","9.2403","0.0007","28.012","0.002","14.0756","0.001","90","","96.217","0.003","90","","3621.9","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H116 O8 P6 Pd2 -","- C62 H116 O8 P6 Pd2 -","- C124 H232 O16 P12 Pd4 -","2","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0372","0.0315","","","0.0736","0.0825","","","","","","1.089","","","","has coordinates,has disorder","237101","2020-10-21","18:00:00",""
"4087901","12.5595","0.0012","5.6421","0.0006","16.5825","0.0016","90","","102.499","0.007","90","","1147.2","0.2","296","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 O2 P -","- C25 H31 O2 P -","- C50 H62 O4 P2 -","2","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0652","0.0439","","","0.0916","0.1061","","","","","","1.053","","","","has coordinates","237102","2020-10-21","18:00:00",""
"4087902","9.2485","0.0005","10.546","0.0005","41.022","0.002","90","","90","","90","","4001.1","0.3","296","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H61 O2 P3 Pd -","- C37 H61 O2 P3 Pd -","- C148 H244 O8 P12 Pd4 -","4","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0699","0.0436","","","0.0636","0.0689","","","","","","0.981","","","","has coordinates","237104","2020-10-21","18:00:00",""
"4087903","9.59136","0.00013","11.07078","0.00016","17.1694","0.0003","95.5851","0.0012","101.365","0.0012","100.353","0.0012","1741.53","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cl Ir N4 O4 -","- C36 H52 Cl Ir N4 O4 -","- C72 H104 Cl2 Ir2 N8 O8 -","2","1","","Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf","Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries","Organometallics","2015","34","20","5099","","10.1021/acs.organomet.5b00692","","","0.71073","MoKα","","0.0171","0.0162","","","0.0393","0.0397","","","","","","1.145","","","","has coordinates,has disorder","237109","2020-10-21","18:00:00",""
"4087904","13.18759","0.00016","13.44313","0.00019","21.8724","0.0003","105.753","0.0013","101.398","0.0012","93.5564","0.0011","3630.74","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C66.5 H61 B Cl F24 Ir N6 O7 -","- C66.5 H61 B Cl F24 Ir N6 O7 -","- C133 H122 B2 Cl2 F48 Ir2 N12 O14 -","2","1","","Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf","Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries","Organometallics","2015","34","20","5099","","10.1021/acs.organomet.5b00692","","x-ray","0.71073","MoKα","","0.0385","0.0332","","","0.081","0.0835","","","","","","1.041","","","","has coordinates,has disorder","237109","2020-10-21","18:00:00",""
"4087905","21.8658","0.0004","14.75921","0.00019","26.5909","0.0004","90","","110.69","0.0017","90","","8028","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H84 B F24 N6 O6 Rh -","- C83 H84 B F24 N6 O6 Rh -","- C332 H336 B4 F96 N24 O24 Rh4 -","4","1","","Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf","Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries","Organometallics","2015","34","20","5099","","10.1021/acs.organomet.5b00692","","x-ray","0.71073","MoKα","","0.0712","0.0528","","","0.1371","0.1507","","","","","","1.029","","","","has coordinates,has disorder","237109","2020-10-21","18:00:00",""
"4087908","11.2034","0.0003","25.0424","0.0007","11.844","0.0003","90","","101.066","0.001","90","","3261.17","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl4 N P Ru -","- C33 H44 Cl4 N P Ru -","- C132 H176 Cl16 N4 P4 Ru4 -","4","1","","Pump, Eva; Leitgeb, Anita; Kozłowska, Anna; Torvisco, Ana; Falivene, Laura; Cavallo, Luigi; Grela, Karol; Slugovc, Christian","Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators","Organometallics","2015","34","22","5383","","10.1021/acs.organomet.5b00715","","","0.71073","MoKα","","0.0348","0.0262","","","0.0571","0.0613","","","","","","1.031","","","","has coordinates","237114","2020-10-21","18:00:00",""
"4087909","10.5939","0.0019","28.939","0.006","12.949","0.003","90","","93.682","0.009","90","","3961.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl4 N3 Ru -","- C42 H49 Cl4 N3 Ru -","- C168 H196 Cl16 N12 Ru4 -","4","1","","Pump, Eva; Leitgeb, Anita; Kozłowska, Anna; Torvisco, Ana; Falivene, Laura; Cavallo, Luigi; Grela, Karol; Slugovc, Christian","Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators","Organometallics","2015","34","22","5383","","10.1021/acs.organomet.5b00715","","","0.71073","MoKα","","0.0437","0.0321","","","0.0781","0.0839","","","","","","1.024","","","","has coordinates","237114","2020-10-21","18:00:00",""
"4087910","10.0672","0.0004","12.6689","0.0005","27.227","0.0011","83.981","0.002","89.056","0.002","72.58","0.002","3294.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H37 Cl4 N3 Ru -","- C36 H37 Cl4 N3 Ru -","- C144 H148 Cl16 N12 Ru4 -","4","2","","Pump, Eva; Leitgeb, Anita; Kozłowska, Anna; Torvisco, Ana; Falivene, Laura; Cavallo, Luigi; Grela, Karol; Slugovc, Christian","Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators","Organometallics","2015","34","22","5383","","10.1021/acs.organomet.5b00715","","","0.71073","MoKα","","0.0665","0.0525","","","0.1438","0.1563","","","","","","1","","","","has coordinates","237114","2020-10-21","18:00:00",""
"4087911","13.816","0.0004","13.4312","0.0004","16.4223","0.0005","90","","107.601","0.0012","90","","2904.75","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl2 N3 Ru -","- C33 H31 Cl2 N3 Ru -","- C132 H124 Cl8 N12 Ru4 -","4","1","","Pump, Eva; Leitgeb, Anita; Kozłowska, Anna; Torvisco, Ana; Falivene, Laura; Cavallo, Luigi; Grela, Karol; Slugovc, Christian","Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators","Organometallics","2015","34","22","5383","","10.1021/acs.organomet.5b00715","","","0.71073","MoKα","","0.0195","0.0181","","","0.0465","0.0475","","","","","","1.06","","","","has coordinates","237114","2020-10-21","18:00:00",""
"4087912","12.8239","0.0004","13.4359","0.0004","16.8249","0.0005","90","","110.819","0.0012","90","","2709.66","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl2 N3 Ru -","- C31 H27 Cl2 N3 Ru -","- C124 H108 Cl8 N12 Ru4 -","4","1","","Pump, Eva; Leitgeb, Anita; Kozłowska, Anna; Torvisco, Ana; Falivene, Laura; Cavallo, Luigi; Grela, Karol; Slugovc, Christian","Variation of the Sterical Properties of the N-Heterocyclic Carbene Coligand in Thermally Triggerable Ruthenium-Based Olefin Metathesis Precatalysts/Initiators","Organometallics","2015","34","22","5383","","10.1021/acs.organomet.5b00715","","","0.71073","MoKα","","0.0296","0.0233","","","0.0504","0.0531","","","","","","1.038","","","","has coordinates","237114","2020-10-21","18:00:00",""
"4087913","14.805","0.003","10.047","0.002","19.517","0.004","90","","105.926","0.007","90","","2791.6","1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 Cl2 Ir N2 -","- C31 H35 Cl2 Ir N2 -","- C124 H140 Cl8 Ir4 N8 -","4","1","","van der Meer, Margarethe; Manck, Sinja; Sobottka, Sebastian; Plebst, Sebastian; Sarkar, Biprajit","Redox Activity and Bond Activation in Iridium‒Diamidobenzene Complexes: A Combined Structural, (Spectro)electrochemical, and DFT Investigation","Organometallics","2015","34","22","5393","","10.1021/acs.organomet.5b00716","","","0.71073","MoKα","","0.0416","0.0277","","","0.0648","0.0697","","","","","","1.077","","","","has coordinates","237117","2020-10-21","18:00:00",""
"4087914","10.991","0.005","12.773","0.004","13.783","0.004","87.63","0.02","68.02","0.02","81.723","0.017","1775.5","1.1","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cl7 Ir N2 Sb -","- C31 H35 Cl7 Ir N2 Sb -","- C62 H70 Cl14 Ir2 N4 Sb2 -","2","1","","van der Meer, Margarethe; Manck, Sinja; Sobottka, Sebastian; Plebst, Sebastian; Sarkar, Biprajit","Redox Activity and Bond Activation in Iridium‒Diamidobenzene Complexes: A Combined Structural, (Spectro)electrochemical, and DFT Investigation","Organometallics","2015","34","22","5393","","10.1021/acs.organomet.5b00716","","","0.71073","MoKα","","0.0509","0.0416","","","0.1369","0.1512","","","","","","1.051","","","","has coordinates","237117","2020-10-21","18:00:00",""
"4087915","24.7042","0.0004","17.9764","0.0003","18.7177","0.0003","90","","109.295","0.0006","90","","7845.5","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C77 H53 B Cl2 F30 Ir N4 O4 S2 -","- C77 H53 B Cl2 F30 Ir N4 O4 S2 -","- C308 H212 B4 Cl8 F120 Ir4 N16 O16 S8 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Sequential Nitrene Transfers to an Organometallic Half-Sandwich Iridium Complex","Organometallics","2015","34","20","4810","","10.1021/acs.organomet.5b00717","","","1.54178","CuKα","","0.0534","0.0517","","","0.1227","0.1237","","","","","","1.249","","","","has coordinates,has disorder","237119","2020-10-21","18:00:00",""
"4087916","9.4819","0.0004","33.8725","0.0015","12.045","0.0006","90","","90.012","0.002","90","","3868.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","DS-23","","- C18 H18 F3 N2 O3 P S -","- C18 H18 F3 N2 O3 P S -","- C144 H144 F24 N16 O24 P8 S8 -","8","2","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0737","0.0559","","","0.1141","0.1213","","","","","","1.052","","","","has coordinates","237121","2020-10-21","18:00:00",""
"4087917","8.3407","0.0002","19.9152","0.0005","25.3728","0.0005","90","","98.0744","0.0011","90","","4172.81","0.17","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","DS-96","","- C37 H36 Cl F6 N4 O7 P2 Rh S2 -","- C37 H36 Cl F6 N4 O7 P2 Rh S2 -","- C148 H144 Cl4 F24 N16 O28 P8 Rh4 S8 -","4","1","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0425","0.0317","","","0.0584","0.0617","","","","","","1.023","","","","has coordinates,has disorder","237121","2020-10-21","18:00:00",""
"4087918","14.625","0.0002","12.4336","0.0002","32.2369","0.0006","90","","90","","90","","5862","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","DS-84","","- C27 H17 Mo2 N2 O10 P -","- C27 H17 Mo2 N2 O10 P -","- C216 H136 Mo16 N16 O80 P8 -","8","1","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0563","0.0331","","","0.06","0.0665","","","","","","1.03","","","","has coordinates","237121","2020-10-21","18:00:00",""
"4087919","12.0044","0.0002","20.9968","0.0004","38.3562","0.0007","90","","93.899","0.001","90","","9645.5","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H49 N5 P2 Ru -","- C55 H49 N5 P2 Ru -","- C440 H392 N40 P16 Ru8 -","8","1","","Chai, Huining; Liu, Tingting; Wang, Qingfu; Yu, Zhengkun","Substituent Effect on the Catalytic Activity of Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2015","34","21","5278","","10.1021/acs.organomet.5b00727","","","1.54178","CuKα","","0.0738","0.0729","","","0.1878","0.1882","","","","","","1.068","","","","has coordinates","237123","2020-10-21","18:00:00",""
"4087920","17.2774","0.0007","18.1856","0.0007","24.7095","0.0011","90","","100.081","0.001","90","","7643.9","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C138 H122 Cl16 N14 O8 P4 Ru2 S4 -","- C138 H122 Cl16 N14 O8 P4 Ru2 S4 -","- C276 H244 Cl32 N28 O16 P8 Ru4 S8 -","2","0.5","","Chai, Huining; Liu, Tingting; Wang, Qingfu; Yu, Zhengkun","Substituent Effect on the Catalytic Activity of Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2015","34","21","5278","","10.1021/acs.organomet.5b00727","","","0.71073","MoKα","","0.0837","0.0552","","","0.1339","0.1463","","","","","","0.993","","","","has coordinates,has disorder","237125","2020-10-21","18:00:00",""
"4087921","11.8824","0.0002","12.0225","0.0002","12.7153","0.0002","78.107","0.001","89.041","0.001","63.764","0.001","1588.62","0.05","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C26 H26 F12 Fe N8 P2 -","- C26 H26 F12 Fe N8 P2 -","- C52 H52 F24 Fe2 N16 P4 -","2","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.0374","0.0317","","","0.0795","0.0827","","","","","","1.05","","","","has coordinates","237127","2020-10-21","18:00:00",""
"4087922","21.9386","0.0009","11.1672","0.0005","30.9935","0.0014","90","","98.106","0.002","90","","7517.3","0.6","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 F12 Fe N9 O P2 -","- C29 H37 F12 Fe N9 O P2 -","- C232 H296 F96 Fe8 N72 O8 P16 -","8","2","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.0923","0.062","","","0.1507","0.1683","","","","","","1.029","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087923","20.2864","0.0003","12.2796","0.0002","26.5473","0.0005","90","","108.213","0.001","90","","6281.86","0.19","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 F12 Fe N8 P2 -","- C24 H26 F12 Fe N8 P2 -","- C192 H208 F96 Fe8 N64 P16 -","8","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.0509","0.0377","","","0.0856","0.0924","","","","","","1.021","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087924","11.6146","0.0002","14.9966","0.0003","19.4741","0.0004","90","","98.374","0.001","90","","3355.83","0.11","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F12 Fe N9 P2 -","- C21 H23 F12 Fe N9 P2 -","- C84 H92 F48 Fe4 N36 P8 -","4","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.0552","0.0408","","","0.0933","0.0999","","","","","","1.024","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087925","10.9373","0.0003","16.5377","0.0004","48.5989","0.0012","90","","90","","90","","8790.5","0.4","123","","123","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F18 Fe N14 P3 -","- C29 H39 F18 Fe N14 P3 -","- C232 H312 F144 Fe8 N112 P24 -","8","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.068","0.0481","","","0.1103","0.1192","","","","","","1.04","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087926","13.884","0.003","8.6037","0.0017","20.772","0.004","90","","108.36","0.03","90","","2355","0.9","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H24 Cl N7 Ni O4 -","- C25 H24 Cl N7 Ni O4 -","- C100 H96 Cl4 N28 Ni4 O16 -","4","1","","Yang, Chi; Wu, Wen-Di; Zhao, Liang; Wang, Mei-Xiang","Macrocyclic Aryl‒Nickel(II) Complexes: Synthesis, Structure, and Reactivity Studies","Organometallics","2015","34","20","5167","","10.1021/acs.organomet.5b00733","","","0.71073","MoKα","","0.0937","0.0806","","","0.1732","0.1798","","","","","","1.231","","","","has coordinates","237129","2020-10-21","18:00:00",""
"4087927","27.248","0.011","8.617","0.003","21.659","0.008","90","","106.978","0.005","90","","4864","3","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N6 Ni -","- C26 H24 N6 Ni -","- C208 H192 N48 Ni8 -","8","1","","Yang, Chi; Wu, Wen-Di; Zhao, Liang; Wang, Mei-Xiang","Macrocyclic Aryl‒Nickel(II) Complexes: Synthesis, Structure, and Reactivity Studies","Organometallics","2015","34","20","5167","","10.1021/acs.organomet.5b00733","","","0.71073","MoKα","","0.0896","0.0885","","","0.2618","0.2636","","","","","","1.13","","","","has coordinates","237129","2020-10-21","18:00:00",""
"4087928","22.83","0.005","36.134","0.007","8.81","0.0019","90","","90","","90","","7268","3","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H44 F4 N2 Ni2 P2 -","- C36 H44 F4 N2 Ni2 P2 -","- C288 H352 F32 N16 Ni16 P16 -","8","0.5","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan","Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes","Organometallics","2015","34","20","5175","","10.1021/acs.organomet.5b00734","","","0.71073","MoKα","","0.1727","0.0745","","","0.092","0.1186","","","","","","0.941","","","","has coordinates","237131","2020-10-21","18:00:00",""
"4087929","10.0939","0.0004","31.9239","0.001","10.9073","0.0004","90","","107.157","0.003","90","","3358.3","0.2","150.15","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 F4 N2 Ni2 P2 S2 -","- C30 H36 F4 N2 Ni2 P2 S2 -","- C120 H144 F16 N8 Ni8 P8 S8 -","4","1","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan","Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes","Organometallics","2015","34","20","5175","","10.1021/acs.organomet.5b00734","","x-ray","0.71073","MoKα","","0.0296","0.0285","","","0.071","0.0715","","","","","","1.038","","","","has coordinates,has disorder","237131","2020-10-21","18:00:00",""
"4087930","21.281","0.01","9.058","0.004","19.919","0.009","90","","106.919","0.008","90","","3673","3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H44 F4 N2 Ni2 P2 -","- C36 H44 F4 N2 Ni2 P2 -","- C144 H176 F16 N8 Ni8 P8 -","4","1","","Wang, Lin; Sun, Hongjian; Li, Xiaoyan","Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes","Organometallics","2015","34","20","5175","","10.1021/acs.organomet.5b00734","","","0.71073","MoKα","","0.1256","0.0717","","","0.1664","0.1927","","","","","","1.055","","","","has coordinates","237131","2020-10-21","18:00:00",""
"4087931","10.9462","0.0003","15.2541","0.0004","15.0688","0.0004","90","","90.803","0.002","90","","2515.86","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 B20 N4 -","- C12 H26 B20 N4 -","- C48 H104 B80 N16 -","4","1","","Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N.","Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides","Organometallics","2015","34","21","5285","","10.1021/acs.organomet.5b00736","","","0.7107","MoKα","","0.0809","0.0533","","","0.1313","0.1491","","","","","","1.002","","","","has coordinates","237133","2020-10-21","18:00:00",""
"4087932","12.3972","0.0003","13.6503","0.0003","19.9916","0.0006","93.587","0.002","92.779","0.002","94.252","0.002","3362.37","0.15","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H80 B40 Cu4 F48 N8 O16 -","- C96 H80 B40 Cu4 F48 N8 O16 -","- C96 H80 B40 Cu4 F48 N8 O16 -","1","0.5","","Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N.","Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides","Organometallics","2015","34","21","5285","","10.1021/acs.organomet.5b00736","","","0.7107","MoKα","","0.0754","0.052","","","0.1471","0.1654","","","","","","1.011","","","","has coordinates,has disorder","237133","2020-10-21","18:00:00",""
"4087933","11.9262","0.0004","19.0285","0.0004","12.8975","0.0003","90","","90.309","0.003","90","","2926.89","0.13","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B10 Cu F9 N2 O4 -","- C21 H19 B10 Cu F9 N2 O4 -","- C84 H76 B40 Cu4 F36 N8 O16 -","4","1","","Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N.","Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides","Organometallics","2015","34","21","5285","","10.1021/acs.organomet.5b00736","","","0.7107","MoKα","","0.077","0.0474","","","0.1239","0.1408","","","","","","1.029","","","","has coordinates,has disorder","237133","2020-10-21","18:00:00",""
"4087934","10.2264","0.0003","15.4589","0.0004","17.0819","0.0004","73.0848","0.0012","88.2081","0.0014","86.3652","0.0014","2578.2","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Al F6 N3 O2 -","- C59 H60 Al F6 N3 O2 -","- C118 H120 Al2 F12 N6 O4 -","2","1","","Sherbow, Tobias J.; Carr, Cody R.; Saisu, Tomoya; Fettinger, James C.; Berben, Louise A.","Insight into Varied Reaction Pathways for O‒H and N‒H Bond Activation by Bis(imino)pyridine Complexes of Al(III)","Organometallics","2015","35","1","9","","10.1021/acs.organomet.5b00743","","","1.54178","CuKα","","0.0505","0.047","","","0.1258","0.1293","","","","","","1.02","","","","has coordinates","237135","2020-10-21","18:00:00",""
"4087935","11.2001","0.0002","12.4244","0.0002","18.0337","0.0003","101.41","0.0007","98.4568","0.0006","114.494","0.0007","2163.42","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Al F3 N3 O -","- C51 H55 Al F3 N3 O -","- C102 H110 Al2 F6 N6 O2 -","2","1","","Sherbow, Tobias J.; Carr, Cody R.; Saisu, Tomoya; Fettinger, James C.; Berben, Louise A.","Insight into Varied Reaction Pathways for O‒H and N‒H Bond Activation by Bis(imino)pyridine Complexes of Al(III)","Organometallics","2015","35","1","9","","10.1021/acs.organomet.5b00743","","","1.54178","CuKα","","0.047","0.0404","","","0.1088","0.1136","","","","","","1.05","","","","has coordinates","237135","2020-10-21","18:00:00",""
"4087936","20.681","0.003","9.0586","0.0013","18.489","0.003","90","","110.715","0.003","90","","3239.8","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Ag N4 O3 Si3 -","- C25 H46 Ag N4 O3 Si3 -","- C100 H184 Ag4 N16 O12 Si12 -","4","1","","Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha","Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes","Organometallics","2015","34","22","5401","","10.1021/acs.organomet.5b00745","","","0.71073","MoKα","","0.2083","0.1193","","","0.2666","0.3267","","","","","","1.03","","","","has coordinates","237137","2020-10-21","18:00:00",""
"4087937","34.742","0.005","11.2775","0.0015","31.977","0.003","90","","90.37","0.006","90","","12528","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H90 Cu2 I2 N6 Si6 -","- C49 H90 Cu2 I2 N6 Si6 -","- C392 H720 Cu16 I16 N48 Si48 -","8","1","","Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha","Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes","Organometallics","2015","34","22","5401","","10.1021/acs.organomet.5b00745","","","0.71073","MoKα","","0.1186","0.0911","","","0.1826","0.1963","","","","","","1.159","","","","has coordinates","237139","2020-10-21","18:00:00",""
"4087938","9.455","0.003","39.412","0.011","17.344","0.005","90","","104.283","0.007","90","","6263","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H82 Ag2 F6 N6 O6 S2 Si6 -","- C44 H82 Ag2 F6 N6 O6 S2 Si6 -","- C176 H328 Ag8 F24 N24 O24 S8 Si24 -","4","1","","Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha","Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes","Organometallics","2015","34","22","5401","","10.1021/acs.organomet.5b00745","","","0.71073","MoKα","","0.0443","0.0407","","","0.1013","0.1043","","","","","","1.047","","","","has coordinates","237141","2020-10-21","18:00:00",""
"4087939","8.904","0.003","18.36","0.007","17.794","0.007","90","","101.464","0.009","90","","2850.9","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Au Cl N3 Si3 -","- C21 H41 Au Cl N3 Si3 -","- C84 H164 Au4 Cl4 N12 Si12 -","4","1","","Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha","Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes","Organometallics","2015","34","22","5401","","10.1021/acs.organomet.5b00745","","","0.71073","MoKα","","0.0281","0.021","","","0.0452","0.0502","","","","","","1.084","","","","has coordinates","237142","2020-10-21","18:00:00",""
"4087940","14.5972","0.0003","14.7429","0.0003","18.6732","0.0004","90","","106.922","0.003","90","","3844.57","0.15","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N2 P2 -","- C38 H30 Cl2 N2 P2 -","- C152 H120 Cl8 N8 P8 -","4","1","","Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois","The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides","Organometallics","2015","34","24","5697","","10.1021/acs.organomet.5b00746","","","1.54184","CuKα","","0.0951","0.0836","","","0.2442","0.2617","","","","","","1.061","","","","has coordinates","237144","2020-10-21","18:00:00",""
"4087941","9.922","0.0003","13.4139","0.0003","18.8864","0.0004","90","","94.357","0.002","90","","2506.38","0.11","291","2","291.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Au2 Cl6 F6 N2 O6 P2 S2 -","- C40 H34 Au2 Cl6 F6 N2 O6 P2 S2 -","- C80 H68 Au4 Cl12 F12 N4 O12 P4 S4 -","2","0.5","","Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois","The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides","Organometallics","2015","34","24","5697","","10.1021/acs.organomet.5b00746","","","1.54184","CuKα","","0.0594","0.0496","","","0.1284","0.1405","","","","","","1.035","","","","has coordinates","237145","2020-10-21","18:00:00",""
"4087942","10.7584","0.0002","16.6336","0.0003","21.6767","0.0003","90","","103.161","0.0018","90","","3777.18","0.11","291","2","291.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Cl5 N2 P2 Pd -","- C38 H31 Cl5 N2 P2 Pd -","- C152 H124 Cl20 N8 P8 Pd4 -","4","1","","Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois","The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides","Organometallics","2015","34","24","5697","","10.1021/acs.organomet.5b00746","","","1.54184","CuKα","","0.0622","0.0472","","","0.1333","0.1467","","","","","","1.016","","","","has coordinates","237147","2020-10-21","18:00:00",""
"4087943","9.7384","0.0019","9.838","0.002","10.857","0.002","77.74","0.03","78.09","0.03","80.73","0.03","987.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Au2 Cl2 N P -","- C19 H14 Au2 Cl2 N P -","- C38 H28 Au4 Cl4 N2 P2 -","2","1","","Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois","The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides","Organometallics","2015","34","24","5697","","10.1021/acs.organomet.5b00746","","","0.71073","MoKα","","0.0562","0.045","","","0.1056","0.1124","","","","","","1.114","","","","has coordinates","237148","2020-10-21","18:00:00",""
"4087944","8.3561","0.0008","9.6321","0.0011","12.1639","0.0011","100.757","0.009","101.011","0.008","101.963","0.009","913.67","0.17","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N P S -","- C21 H18 N P S -","- C42 H36 N2 P2 S2 -","2","1","","Zhang, Lujun; Yu, Wenfei; Liu, Changchun; Xu, Youzhi; Duan, Zheng; Mathey, Francois","The Chemistry of ortho-(Diarylphosphino)aryl Isocyanides","Organometallics","2015","34","24","5697","","10.1021/acs.organomet.5b00746","","","1.54184","CuKα","","0.0669","0.0488","","","0.1216","0.1345","","","","","","1.029","","","","has coordinates","237150","2020-10-21","18:00:00",""
"4087945","18.786","0.003","9.4192","0.0012","24.162","0.003","90","","107.504","0.006","90","","4077.5","1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H62 Ge2 O Si7 -","- C27 H62 Ge2 O Si7 -","- C108 H248 Ge8 O4 Si28 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.0407","0.0262","","","0.0533","0.0576","","","","","","1.001","","","","has coordinates","237152","2020-10-21","18:00:00",""
"4087946","14.0822","0.0006","16.9268","0.0008","16.8058","0.0008","90","","99.166","0.002","90","","3954.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H58 Ge2 O Si7 -","- C25 H58 Ge2 O Si7 -","- C100 H232 Ge8 O4 Si28 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.0638","0.0589","","","0.1641","0.1703","","","","","","1.058","","","","has coordinates","237152","2020-10-21","18:00:00",""
"4087947","16.1987","0.0006","10.0956","0.0004","25.898","0.001","90","","104.221","0.002","90","","4105.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 Ge2 O Si7 -","- C28 H66 Ge2 O Si7 -","- C112 H264 Ge8 O4 Si28 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.0298","0.0228","","","0.056","0.0576","","","","","","0.96","","","","has coordinates","237152","2020-10-21","18:00:00",""
"4087948","10.0779","0.0012","23.527","0.003","23.354","0.003","90","","92.703","0.004","90","","5531.1","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H81 Ge2 K O7 Si6 -","- C41 H81 Ge2 K O7 Si6 -","- C164 H324 Ge8 K4 O28 Si24 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.1024","0.0646","","","0.1597","0.1936","","","","","","1.094","","","","has coordinates,has disorder","237152","2020-10-21","18:00:00",""
"4087949","21.674","0.0009","10.6653","0.0005","22.5781","0.0009","90","","92.411","0.002","90","","5214.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H81 Ge2 K O7 Si6 -","- C37 H81 Ge2 K O7 Si6 -","- C148 H324 Ge8 K4 O28 Si24 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.0616","0.0389","","","0.0863","0.0955","","","","","","1.021","","","","has coordinates,has disorder","237152","2020-10-21","18:00:00",""
"4087950","15.1662","0.0004","9.7937","0.0003","29.2301","0.0008","90","","104.851","0.0015","90","","4196.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Ge2 O Si7 -","- C27 H54 Ge2 O Si7 -","- C108 H216 Ge8 O4 Si28 -","4","1","","Haas, Michael; Leypold, Mario; Schnalzer, Dominik; Torvisco, Ana; Stueger, Harald","Stable Germenolates and Germenes with Exocyclic Structures","Organometallics","2015","34","21","5291","","10.1021/acs.organomet.5b00750","","","0.71073","MoKα","","0.0465","0.0317","","","0.0756","0.0822","","","","","","1.023","","","","has coordinates","237152","2020-10-21","18:00:00",""
"4087951","37.239","0.003","37.239","0.003","8.0789","0.0007","90","","90","","120","","9702.4","1.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H29 Fe N3 -","- C23 H29 Fe N3 -","- C414 H522 Fe18 N54 -","18","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","MoKα","","0.1054","0.0734","","","0.2066","0.2317","","","","","","1.036","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087952","9.3472","0.0004","19.7677","0.0006","25.5026","0.001","90","","90","","90","","4712.2","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Cl2 Fe N3 O Pt S -","- C19 H31 Cl2 Fe N3 O Pt S -","- C152 H248 Cl16 Fe8 N24 O8 Pt8 S8 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","MoKα","","0.0619","0.039","","","0.1173","0.1429","","","","","","1.033","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087953","14.5743","0.0002","25.5911","0.0004","15.7828","0.0002","90","","91.2","0.001","90","","5885.26","0.14","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","D30C2F1","","","- C25 H34.5 Cl2 Fe N3 O Pt S -","- C25 H34.5 Cl2 Fe N3 O Pt S -","- C200 H276 Cl16 Fe8 N24 O8 Pt8 S8 -","8","2","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","","","0.0628","0.0375","","","0.1059","0.1356","","","","","","1.015","","","","has coordinates,has disorder","237155","2020-10-21","18:00:00",""
"4087954","11.8436","0.0003","13.4194","0.0004","28.6467","0.0008","90","","90","","90","","4552.9","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","D30F1","","","- C23 H29 Cl Fe N3 Pt0.5 -","- C23 H29 Cl Fe N3 Pt0.5 -","- C184 H232 Cl8 Fe8 N24 Pt4 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","","","0.076","0.043","","","0.1249","0.1726","","","","","","1","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087955","15.522","0.001","11.7101","0.0007","9.2705","0.0006","90","","93.101","0.003","90","","1682.58","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GuanidinaFc","","","- C17 H25 Fe N3 -","- C17 H25 Fe N3 -","- C68 H100 Fe4 N12 -","4","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","","","0.0394","0.0314","","","0.0882","0.0944","","","","","","1.001","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087956","10.117","0.0003","11.1727","0.0003","15.4493","0.0004","85.231","0.002","81.224","0.002","88.399","0.003","1719.67","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H19 B F15 N O3 -","- C36.5 H19 B F15 N O3 -","- C73 H38 B2 F30 N2 O6 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","1.54184","CuKα","","0.0409","0.0379","","","0.0953","0.0976","","","","","","1.026","","","","has coordinates,has disorder","237158","2020-10-21","18:00:00",""
"4087957","9.7542","0.0003","12.6233","0.0004","13.571","0.0005","69.527","0.003","78.068","0.003","85.081","0.003","1531.47","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H17 B F15 N O -","- C32.5 H17 B F15 N O -","- C65 H34 B2 F30 N2 O2 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","1.5418","CuKα","","0.0377","0.0358","","","0.0899","0.0913","","","","","","0.965","","","","has coordinates,has disorder","237158","2020-10-21","18:00:00",""
"4087958","14.4138","0.001","12.2486","0.0007","20.8864","0.0015","90","","110.078","0.008","90","","3463.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H18 B F15 N2 O3 -","- C37.9999 H17.9997 B F15 N2 O3 -","- C152 H71.9988 B4 F60 N8 O12 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.0635","0.0436","","","0.0965","0.1075","","","","","","1.047","","","","has coordinates,has disorder","237158","2020-10-21","18:00:00",""
"4087959","11.92043","0.00019","11.60613","0.00016","21.1674","0.0003","90","","105.029","0.0015","90","","2828.34","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H17 B F15 N O -","- C31 H17 B F15 N O -","- C124 H68 B4 F60 N4 O4 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","1.54184","CuKα","","0.04","0.0347","","","0.089","0.0934","","","","","","1.035","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087960","9.2926","0.0002","10.8449","0.0003","24.2433","0.0007","90","","99.85","0.003","90","","2407.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 B F15 N2 O -","- C25 H8 B F15 N2 O -","- C100 H32 B4 F60 N8 O4 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","1.54184","CuKα","","0.0563","0.0477","","","0.1308","0.1423","","","","","","1.035","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087961","12.6397","0.0005","12.0585","0.0004","21.4952","0.0007","90","","105.44","0.004","90","","3158","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H15 B Cl3 F15 N2 O -","- C30.5 H15 B Cl3 F15 N2 O -","- C122 H60 B4 Cl12 F60 N8 O4 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.1011","0.0664","","","0.1664","0.1889","","","","","","1.026","","","","has coordinates,has disorder","237158","2020-10-21","18:00:00",""
"4087962","8.3006","0.0006","12.1237","0.0008","14.8933","0.001","99.1451","0.0017","98.9427","0.0016","107.239","0.0016","1380.26","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","10a in manuscript","","","- C28 H17 B F15 N O2 -","- C28 H17 B F15 N O2 -","- C56 H34 B2 F30 N2 O4 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.0638","0.0468","","","0.1113","0.12","","","","","","1.063","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087963","13.455","0.0005","12.8454","0.0004","21.547","0.0007","90","","106.721","0.004","90","","3566.6","0.2","151","2","151","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H21 B F15 N O2 -","- C41 H21 B F15 N O2 -","- C164 H84 B4 F60 N4 O8 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.0825","0.0574","","","0.1443","0.16","","","","","","1.071","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087964","9.254","0.003","11.596","0.004","14.792","0.006","102.195","0.008","93.271","0.009","108.528","0.008","1457.8","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","11b in manuscript","","","- C29 H19 B F15 N O2 -","- C29 H19 B F15 N O2 -","- C58 H38 B2 F30 N2 O4 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.1219","0.0632","","","0.1003","0.1222","","","","","","1.019","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087965","8.7141","0.0005","31.5529","0.0012","11.7474","0.0005","90","","109.032","0.005","90","","3053.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H13 B F15 N O2 -","- C34 H13 B F15 N O2 -","- C136 H52 B4 F60 N4 O8 -","4","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.0905","0.0511","","","0.0959","0.1134","","","","","","1.031","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087966","8.218","0.0005","10.6283","0.0008","13.5393","0.0007","92.431","0.005","100.822","0.005","108.692","0.006","1093.56","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H5 B F15 N O2 -","- C22 H5 B F15 N O2 -","- C44 H10 B2 F30 N2 O4 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.096","0.0545","","","0.1167","0.1366","","","","","","1.043","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087967","9.6463","0.0004","12.1922","0.0005","12.25","0.0005","96.542","0.003","91.236","0.003","97.1","0.003","1419.43","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 B F15 O3 -","- C26 H12 B F15 O3 -","- C52 H24 B2 F30 O6 -","2","1","","Wilkins, Lewis C.; Wieneke, Philipp; Newman, Paul D.; Kariuki, Benson M.; Rominger, Frank; Hashmi, A. Stephen K.; Hansmann, Max M.; Melen, Rebecca L.","Pathways to Functionalized Heterocycles: Propargyl Rearrangement using B(C6F5)3","Organometallics","2015","34","21","5298","","10.1021/acs.organomet.5b00753","","","0.71073","MoKα","","0.0666","0.0452","","","0.1024","0.117","","","","","","0.991","","","","has coordinates","237158","2020-10-21","18:00:00",""
"4087968","9.183","0.0005","9.3227","0.0004","10.3918","0.0005","63.553","0.005","85.715","0.004","72.521","0.004","757.94","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","cyclo-(Ph2SnOMe2SiCH2)2","","","- C30 H36 O2 Si2 Sn2 -","- C30 H36 O2 Si2 Sn2 -","- C30 H36 O2 Si2 Sn2 -","1","0.5","","Baba Haj, Samer; Dietz, Christina; Lutter, Michael; Jurkschat, Klaus","cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties within the Ring and Formation of Related Organotin Oxo Clusters","Organometallics","2015","34","23","5555","","10.1021/acs.organomet.5b00768","","","0.71073","MoKα","","0.0193","0.0173","","","0.044","0.0444","","","","","","1.036","","","","has coordinates","237162","2020-10-21","18:00:00",""
"4087969","8.8934","0.0004","9.1366","0.0004","10.8755","0.0005","77.908","0.004","75.147","0.004","61.593","0.005","747.32","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","cyclo-(t-Bu2SnOMe2SiCH2)2","","","- C22 H52 O2 Si2 Sn2 -","- C22 H52 O2 Si2 Sn2 -","- C22 H52 O2 Si2 Sn2 -","1","0.5","","Baba Haj, Samer; Dietz, Christina; Lutter, Michael; Jurkschat, Klaus","cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties within the Ring and Formation of Related Organotin Oxo Clusters","Organometallics","2015","34","23","5555","","10.1021/acs.organomet.5b00768","","","0.71073","MoKα","","0.0171","0.0162","","","0.046","0.0462","","","","","","1.348","","","","has coordinates","237162","2020-10-21","18:00:00",""
"4087970","8.5925","0.0011","9.037","0.0007","11.0256","0.0015","93.036","0.009","97.894","0.011","102.579","0.009","824.63","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","cyclo-[{Me2N(CH2)3}PhSnOMe2SiCH2]2","","","- C28 H50 N2 O2 Si2 Sn2 -","- C28 H50 N2 O2 Si2 Sn2 -","- C28 H50 N2 O2 Si2 Sn2 -","1","0.5","","Baba Haj, Samer; Dietz, Christina; Lutter, Michael; Jurkschat, Klaus","cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties within the Ring and Formation of Related Organotin Oxo Clusters","Organometallics","2015","34","23","5555","","10.1021/acs.organomet.5b00768","","","0.71073","MoKα","","0.0382","0.0327","","","0.087","0.0911","","","","","","1.111","","","","has coordinates","237162","2020-10-21","18:00:00",""
"4087971","14.2431","0.0005","10.4123","0.0003","15.5313","0.0005","90","","106.366","0.003","90","","2210.02","0.13","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[PhSn(CH2Me2SiO)(μ3-O)Sn(μ-OH)t-Bu2]2","","","- C34 H64 O6 Si2 Sn4 -","- C34 H64 O6 Si2 Sn4 -","- C68 H128 O12 Si4 Sn8 -","2","0.5","","Baba Haj, Samer; Dietz, Christina; Lutter, Michael; Jurkschat, Klaus","cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties within the Ring and Formation of Related Organotin Oxo Clusters","Organometallics","2015","34","23","5555","","10.1021/acs.organomet.5b00768","","","0.71073","MoKα","","0.0308","0.0197","","","0.0393","0.0403","","","","","","0.897","","","","has coordinates","237162","2020-10-21","18:00:00",""
"4087972","9.9649","0.0007","28.0445","0.0011","12.2933","0.0007","90","","112.096","0.007","90","","3183.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(t-Bu2)(μ-OH)Sn(μ3-O)Sn(Ph)(CH2Me2SiO)Sn(t-Bu2)(μ3-O)]2","","","- C50 H100 O8 Si2 Sn6 -","- C50 H100 O8 Si2 Sn6 -","- C100 H200 O16 Si4 Sn12 -","2","0.5","","Baba Haj, Samer; Dietz, Christina; Lutter, Michael; Jurkschat, Klaus","cyclo-Stannasiloxanes Containing both Oxygen Atoms and Methylene Moieties within the Ring and Formation of Related Organotin Oxo Clusters","Organometallics","2015","34","23","5555","","10.1021/acs.organomet.5b00768","","","0.71073","MoKα","","0.0512","0.029","","","0.051","0.0526","","","","","","0.839","","","","has coordinates,has disorder","237162","2020-10-21","18:00:00",""
"4087973","20.69","0.002","20.374","0.002","40.538","0.003","90","","90","","90","","17088","3","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C103 H108 Fe2 P4 -","- C103 H108 Fe2 P4 -","- C824 H864 Fe16 P32 -","8","1","","Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes","Organometallics","2015","34","22","5418","","10.1021/acs.organomet.5b00769","","","0.71073","MoKα","","0.1688","0.064","","","0.1128","0.1275","","","","","","0.991","","","","has coordinates,has disorder","237165","2020-10-21","18:00:00",""
"4087974","10.666","0.001","19.22","0.002","23.791","0.002","90","","101.374","0.009","90","","4781.4","0.8","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H64 Fe P2 -","- C59 H64 Fe P2 -","- C236 H256 Fe4 P8 -","4","1","","Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes","Organometallics","2015","34","22","5418","","10.1021/acs.organomet.5b00769","","","0.71073","MoKα","","0.1771","0.0694","","","0.1586","0.1781","","","","","","0.685","","","","has coordinates","237165","2020-10-21","18:00:00",""
"4087975","21.5784","0.0003","12.0204","0.0002","45.8478","0.0009","90","","95.28","0.002","90","","11841.6","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C148 H152 Fe2 P4 -","- C148 H152 Fe2 P4 -","- C592 H608 Fe8 P16 -","4","0.5","","Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes","Organometallics","2015","34","22","5418","","10.1021/acs.organomet.5b00769","","","0.71069","MoKα","","0.0777","0.0451","","","0.1025","0.1088","","","","","","0.93","","","","has coordinates,has disorder","237165","2020-10-21","18:00:00",""
"4087976","16.5452","0.0013","11.8054","0.001","10.628","0.0009","90","","91.602","0.001","90","","2075.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O2 -","- C21 H32 N2 O2 -","- C84 H128 N8 O8 -","4","1","","Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.","Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations","Organometallics","2015","34","23","5566","","10.1021/acs.organomet.5b00771","","","0.71073","MoKα","","0.0722","0.0644","","","0.1808","0.1895","","","","","","1.025","","","","has coordinates","237168","2020-10-21","18:00:00",""
"4087977","8.892","0.003","14.886","0.005","15.369","0.005","90","","97.497","0.004","90","","2016.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N2 O2 -","- C21 H32 N2 O2 -","- C84 H128 N8 O8 -","4","1","","Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.","Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations","Organometallics","2015","34","23","5566","","10.1021/acs.organomet.5b00771","","","0.71073","MoKα","","0.071","0.0526","","","0.1377","0.1509","","","","","","1.029","","","","has coordinates","237168","2020-10-21","18:00:00",""
"4087978","8.6196","0.0009","15.5542","0.0016","16.8375","0.0018","90","","92.481","0.0017","90","","2255.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mg2 N4 O4 -","- C44 H68 Mg2 N4 O4 -","- C88 H136 Mg4 N8 O8 -","2","0.5","","Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.","Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations","Organometallics","2015","34","23","5566","","10.1021/acs.organomet.5b00771","","","0.71073","MoKα","","0.0692","0.0563","","","0.1594","0.1709","","","","","","1.039","","","","has coordinates","237168","2020-10-21","18:00:00",""
"4087979","8.997","0.004","11.915","0.005","12.83","0.006","68.728","0.006","78.112","0.007","87.634","0.007","1253.3","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Cl4 N4 O4 Ti2 -","- C48 H62 Cl4 N4 O4 Ti2 -","- C48 H62 Cl4 N4 O4 Ti2 -","1","0.5","","Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.","Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations","Organometallics","2015","34","23","5566","","10.1021/acs.organomet.5b00771","","","0.71073","MoKα","","0.094","0.0724","","","0.1993","0.2251","","","","","","1.034","","","","has coordinates","237168","2020-10-21","18:00:00",""
"4087980","9.1768","0.0007","10.8157","0.0008","13.5557","0.001","97.781","0.001","102.435","0.001","93.238","0.001","1296.68","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 N4 O2 Zr -","- C23 H41 N5 O2 Zr -","- C46 H82 N10 O4 Zr2 -","2","1","","Eedugurala, Naresh; Hovey, Megan; Ho, Hung-An; Jana, Barun; Lampland, Nicole L.; Ellern, Arkady; Sadow, Aaron D.","Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations","Organometallics","2015","34","23","5566","","10.1021/acs.organomet.5b00771","","","0.71073","MoKα","","0.0385","0.0313","","","0.0715","0.0746","","","","","","1.025","","","","has coordinates","237168","2020-10-21","18:00:00",""
"4087981","18.478","0.0003","17.5211","0.0003","29.6613","0.0005","90","","90","","90","","9603","0.3","150","2","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H59 Cr N4 O5 P Si -","- C48 H59 Cr N4 O5 P Si -","- C384 H472 Cr8 N32 O40 P8 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes","Organometallics","2015","34","24","5703","","10.1021/acs.organomet.5b00772","","x-ray","1.54184","CuKα","","0.0804","0.0533","","","0.1267","0.1451","","","","","","1.02","","","","has coordinates","237170","2020-10-21","18:00:00",""
"4087982","15.9982","0.0013","20.0928","0.0008","17.7845","0.001","90","","114.755","0.009","90","","5191.5","0.7","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H126 Mo2 N8 O10 P2 Si2 -","- C103 H126 Mo2 N8 O10 P2 Si2 -","- C206 H252 Mo4 N16 O20 P4 Si4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes","Organometallics","2015","34","24","5703","","10.1021/acs.organomet.5b00772","","x-ray","1.54184","CuKα","","0.1237","0.0741","","","0.1612","0.1936","","","","","","1.105","","","","has coordinates,has disorder","237172","2020-10-21","18:00:00",""
"4087983","15.9865","0.0004","20.0751","0.0003","17.7921","0.0004","90","","114.796","0.003","90","","5183.6","0.2","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H126 N8 O10 P2 Si2 W2 -","- C103 H126 N8 O10 P2 Si2 W2 -","- C206 H252 N16 O20 P4 Si4 W4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes","Organometallics","2015","34","24","5703","","10.1021/acs.organomet.5b00772","","x-ray","1.54184","CuKα","","0.0986","0.0674","","","0.1723","0.1955","","","","","","1.007","","","","has coordinates,has disorder","237174","2020-10-21","18:00:00",""
"4087984","9.6996","0.0004","16.5126","0.0007","13.4111","0.0006","90","","108.957","0.001","90","","2031.5","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 B Ir N6 O4 -","- C17 H20 B Ir N6 O4 -","- C68 H80 B4 Ir4 N24 O16 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0215","0.0147","","","0.0348","0.0377","","","","","","1.052","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087985","8.8679","0.0004","16.305","0.0008","16.9152","0.0007","90","","90.893","0.001","90","","2445.49","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 B Ir N7 O4 -","- C22 H25 B Ir N7 O4 -","- C88 H100 B4 Ir4 N28 O16 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0242","0.0186","","","0.0436","0.0447","","","","","","1.068","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087986","15.0315","0.0007","8.3949","0.0004","20.2328","0.001","90","","105.76","0.001","90","","2457.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B Ir N7 O4 -","- C23 H27 B Ir N7 O4 -","- C92 H108 B4 Ir4 N28 O16 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.023","0.0201","","","0.0537","0.0548","","","","","","1.07","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087987","11.9938","0.0003","19.0691","0.0005","17.0816","0.0005","90","","96.273","0.001","90","","3883.36","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 Ir2 N12 O8 -","- C34 H40 B2 Ir2 N12 O8 -","- C136 H160 B8 Ir8 N48 O32 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0218","0.0185","","","0.0479","0.0491","","","","","","0.956","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087988","9.7033","0.0002","15.36","0.0004","32.1835","0.0006","90","","90","","90","","4796.72","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 B Ir N6 O6 -","- C21 H26 B Ir N6 O6 -","- C168 H208 B8 Ir8 N48 O48 -","8","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0262","0.0199","","","0.0413","0.0428","","","","","","1.033","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087989","10.0682","0.0006","12.0108","0.0007","21.2287","0.0012","90","","101.756","0.002","90","","2513.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 B Ir N6 O5 -","- C23 H22 B Ir N6 O5 -","- C92 H88 B4 Ir4 N24 O20 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0419","0.036","","","0.0775","0.079","","","","","","1.221","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087990","13.1417","0.0008","11.1365","0.0008","16.4878","0.0012","90","","107.297","0.002","90","","2303.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B Ir N6 O4 -","- C21 H26 B Ir N6 O4 -","- C84 H104 B4 Ir4 N24 O16 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.02","0.0163","","","0.0398","0.0407","","","","","","1.06","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087991","9.888","0.001","11.8622","0.0013","12.5103","0.0013","92.425","0.004","91.055","0.004","98.022","0.003","1451.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 B Ir N6 O4 -","- C31 H30 B Ir N6 O4 -","- C62 H60 B2 Ir2 N12 O8 -","2","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.105","0.1025","","","0.3122","0.3127","","","","","","1.143","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087992","9.6112","0.0007","18.3457","0.0014","13.7097","0.001","90","","98.474","0.002","90","","2391","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B Ir N6 O6 -","- C21 H24 B Ir N6 O6 -","- C84 H96 B4 Ir4 N24 O24 -","4","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0569","0.0393","","","0.1011","0.1113","","","","","","1.091","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4087993","5.6283","0.0003","17.6395","0.0011","23.9438","0.0016","90","","90","","90","","2377.1","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br O2 P -","- C29 H24 Br O2 P -","- C116 H96 Br4 O8 P4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Asymmetric 1,4-Conjugate Addition of Diarylphosphines to α,β,γ,δ-Unsaturated Ketones Catalyzed by Transition-Metal Pincer Complexes","Organometallics","2015","34","20","5196","","10.1021/acs.organomet.5b00787","","","0.71073","MoKα","","0.1141","0.0591","","","0.1089","0.1302","","","","","","0.899","","","","has coordinates","237179","2020-10-21","18:00:00",""
"4087994","8.4018","0.0009","12.8783","0.0014","16.9736","0.0019","73.067","0.001","80.836","0.002","77.115","0.002","1703.9","0.3","168","2","168","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 B Ir O2 P2 -","- C32 H56 B Ir O2 P2 -","- C64 H112 B2 Ir2 O4 P4 -","2","1","","Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger","Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes","Organometallics","2015","34","24","5709","","10.1021/acs.organomet.5b00788","","","0.71073","","","0.0296","0.0264","","","0.0581","0.0597","","","","","","1.107","","","","has coordinates","237181","2020-10-21","18:00:00",""
"4087995","13.1913","0.0005","12.495","0.0004","19.7457","0.0007","90","","97.659","0.001","90","","3225.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H59 B O Os P2 -","- C29 H59 B O Os P2 -","- C116 H236 B4 O4 Os4 P8 -","4","1","","Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger","Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes","Organometallics","2015","34","24","5709","","10.1021/acs.organomet.5b00788","","","0.71073","MoKα","","0.0395","0.0236","","","0.041","0.0448","","","","","","1.034","","","","has coordinates","237182","2020-10-21","18:00:00",""
"4087996","8.4786","0.0006","20.5168","0.0015","19.9238","0.0014","90","","100.425","0.002","90","","3408.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 B Ir P2 -","- C34 H60 B Ir P2 -","- C136 H240 B4 Ir4 P8 -","4","1","","Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger","Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes","Organometallics","2015","34","24","5709","","10.1021/acs.organomet.5b00788","","","0.71073","MoKα","","0.0225","0.017","","","0.0329","0.0344","","","","","","1.03","","","","has coordinates,has disorder","237184","2020-10-21","18:00:00",""
"4087997","9.829","0.002","15.79","0.003","17.032","0.004","90","","104.52","0.005","90","","2558.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B Cl2 Ir -","- C26 H36 B Cl2 Ir -","- C104 H144 B4 Cl8 Ir4 -","4","1","","Arnold, Nicole; Mozo, Silvia; Paul, Ursula; Radius, Udo; Braunschweig, Holger","Aryldihydroborane Coordination to Iridium and Osmium Hydrido Complexes","Organometallics","2015","34","24","5709","","10.1021/acs.organomet.5b00788","","","0.71073","MoKα","","0.0236","0.0194","","","0.0432","0.0443","","","","","","1.052","","","","has coordinates","237186","2020-10-21","18:00:00",""
"4087998","19.6567","0.0005","13.3264","0.0003","29.9066","0.0008","90","","92.176","0.001","90","","7828.5","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H83.5 B Cl1.5 F24 Ir O3 P S -","- C78.5 H83.5 B Cl1.5 F24 Ir O3 P S -","- C314 H334 B4 Cl6 F96 Ir4 O12 P4 S4 -","4","1","","Borràs, Carlota; Biosca, Maria; Pàmies, Oscar; Diéguez, Montserrat","Iridium-Catalyzed Asymmetric Hydrogenation with Simple Cyclohexane-Based P/S Ligands: In Situ HP-NMR and DFT Calculations for the Characterization of Reaction Intermediates","Organometallics","2015","34","21","5321","","10.1021/acs.organomet.5b00790","","","0.71073","MoKα","","0.1035","0.073","","","0.1805","0.1969","","","","","","1.069","","","","has coordinates,has disorder","237188","2020-10-21","18:00:00",""
"4087999","9.8837","0.0006","12.1135","0.0008","15.9823","0.001","101.921","0.003","90.777","0.003","112.977","0.003","1714.24","0.19","123","","123","","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H57 N Si6 -","- C26 H57 N Si6 -","- C52 H114 N2 Si12 -","2","1","","Wendel, Daniel; Eisenreich, Wolfgang; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Reactivity of an Acyclic Silylsilylene toward Ethylene: Migratory Insertion into the Si‒Si Bond","Organometallics","2015","35","1","1","","10.1021/acs.organomet.5b00797","","x-ray","0.71073","MoKα","","0.0464","0.0383","","","0.0989","0.1038","","","","","","1.047","","","","has coordinates","237190","2020-10-21","18:00:00",""
"4088000","13.0454","0.0005","14.7163","0.0006","19.9536","0.0008","90","","101.566","0.002","90","","3752.9","0.3","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H61 N Si6 -","- C28 H61 N Si6 -","- C112 H244 N4 Si24 -","4","1","","Wendel, Daniel; Eisenreich, Wolfgang; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Reactivity of an Acyclic Silylsilylene toward Ethylene: Migratory Insertion into the Si‒Si Bond","Organometallics","2015","35","1","1","","10.1021/acs.organomet.5b00797","","x-ray","0.71073","MoKα","","0.0387","0.0297","","","0.0762","0.0822","","","","","","1.039","","","","has coordinates","237190","2020-10-21","18:00:00",""
"4088001","9.5649","0.001","12.2744","0.0013","18.351","0.002","74.859","0.005","88.531","0.006","69.141","0.005","1937.9","0.4","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H63 N Si6 -","- C30 H63 N Si6 -","- C60 H126 N2 Si12 -","2","1","","Wendel, Daniel; Eisenreich, Wolfgang; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Reactivity of an Acyclic Silylsilylene toward Ethylene: Migratory Insertion into the Si‒Si Bond","Organometallics","2015","35","1","1","","10.1021/acs.organomet.5b00797","","x-ray","0.71073","MoKα","","0.0436","0.0348","","","0.0829","0.0881","","","","","","1.042","","","","has coordinates","237190","2020-10-21","18:00:00",""
"4088002","16.6119","0.0007","14.9729","0.0006","27.5702","0.0012","90","","95.786","0.002","90","","6822.6","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H51 Cl3 Ir N2 P -","- C33.5 H50 Cl3 Ir N2 P -","- C268 H400 Cl24 Ir8 N16 P8 -","8","2","","Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt","Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand","Organometallics","2015","34","22","5454","","10.1021/acs.organomet.5b00799","","","0.71073","MoKα","","0.0351","0.0265","","","0.0603","0.0635","","","","","","1.026","","","","has coordinates,has disorder","237192","2020-10-21","18:00:00",""
"4088003","14.831","0.0002","15.9517","0.0002","15.0123","0.0002","90","","114.801","0.001","90","","3224.04","0.08","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl2 Ir N2 P -","- C33 H50 Cl2 Ir N2 P -","- C132 H200 Cl8 Ir4 N8 P4 -","4","1","","Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt","Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand","Organometallics","2015","34","22","5454","","10.1021/acs.organomet.5b00799","","","0.71073","MoKα","","0.0278","0.0205","","","0.0437","0.0461","","","","","","1.031","","","","has coordinates","237192","2020-10-21","18:00:00",""
"4088004","13.1256","0.0011","13.7279","0.0012","21.138","0.0019","90","","98.471","0.004","90","","3767.2","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H65 Cl3 Ir N2 P -","- C36.5 H53 Cl3 Ir N2 P -","- C146 H212 Cl12 Ir4 N8 P4 -","4","1","","Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt","Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand","Organometallics","2015","34","22","5454","","10.1021/acs.organomet.5b00799","","","0.71073","MoKα","","0.028","0.0212","","","0.0497","0.0523","","","","","","1.028","","","","has coordinates,has disorder","237192","2020-10-21","18:00:00",""
"4088005","21.8788","0.0008","13.5847","0.0005","12.4615","0.0005","90","","115.759","0.001","90","","3335.7","0.2","153","2","153","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H51 B F4 Ir N2 P -","- C33 H51 B F4 Ir N2 P -","- C132 H204 B4 F16 Ir4 N8 P4 -","4","1","","Cepa, Steffen; Schulte to Brinke, Christian; Roelfes, Florian; Hahn, F. Ekkehardt","Hydrogen Activation by an Iridium(III) Complex Bearing a Bidentate Protic NH,NR-NHC∧Phosphine Ligand","Organometallics","2015","34","22","5454","","10.1021/acs.organomet.5b00799","","","0.71073","MoKα","","0.0235","0.0231","","","0.0584","0.0587","","","","","","1.033","","","","has coordinates","237192","2020-10-21","18:00:00",""
"4088006","10.2739","0.0011","11.7595","0.0013","11.7723","0.0013","76.562","0.002","83.01","0.002","88.457","0.002","1373.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Xiong, Meijun; Yu, Shasha; Xie, Xin; Li, Shi; Liu, Yuanhong","Reactions of Zirconocene‒1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles","Organometallics","2015","34","23","5597","","10.1021/acs.organomet.5b00801","","","0.71073","MoKα","","0.0667","0.0458","","","0.1197","0.1331","","","","","","1.038","","","","has coordinates","237195","2020-10-21","18:00:00",""
"4088007","20.1943","0.0015","11.2274","0.0009","22.5064","0.0018","90","","90","","90","","5102.9","0.7","130","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H29 N O5 -","- C32 H29 N O5 -","- C256 H232 N8 O40 -","8","1","","Xiong, Meijun; Yu, Shasha; Xie, Xin; Li, Shi; Liu, Yuanhong","Reactions of Zirconocene‒1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles","Organometallics","2015","34","23","5597","","10.1021/acs.organomet.5b00801","","","0.71073","MoKα","","0.0931","0.0524","","","0.1292","0.1601","","","","","","0.991","","","","has coordinates","237195","2020-10-21","18:00:00",""
"4088008","12.421","0.004","13.919","0.004","16.511","0.006","88.966","0.015","76.208","0.015","67.398","0.014","2550.7","1.5","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H112 Cl18 N4 P4 Ru -","- C94 H112 Cl18 N4 P4 Ru -","- C94 H112 Cl18 N4 P4 Ru -","1","0.5","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0801","0.0654","","","0.167","0.1826","","","","","","1.0683","","","","has coordinates,has disorder","237197","2020-10-21","18:00:00",""
"4088009","13.2252","0.0006","23.4044","0.001","13.5975","0.0007","90","","115.829","0.002","90","","3788.3","0.3","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 Cl N P2 Ru -","- C38 H66 Cl N P2 Ru -","- C152 H264 Cl4 N4 P8 Ru4 -","4","1","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0572","0.0425","","","0.0976","0.1035","","","","","","1.035","","","","has coordinates,has disorder","237199","2020-10-21","18:00:00",""
"4088010","13.1947","0.0004","23.4389","0.0007","13.5623","0.0004","90","","115.497","0.001","90","","3785.9","0.2","122","2","122","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 Cl N O P2 Ru -","- C38 H66 Cl N O P2 Ru -","- C152 H264 Cl4 N4 O4 P8 Ru4 -","4","1","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0384","0.0293","","","0.0632","0.0665","","","","","","1.067","","","","has coordinates,has disorder","237201","2020-10-21","18:00:00",""
"4088011","13.2074","0.0005","23.3788","0.0009","13.6727","0.0005","90","","115.725","0.001","90","","3803.3","0.3","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 Br Cl P2 Ru -","- C37 H66 Br Cl P2 Ru -","- C148 H264 Br4 Cl4 P8 Ru4 -","4","1","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0384","0.0266","","","0.0509","0.0543","","","","","","1.02","","","","has coordinates,has disorder","237203","2020-10-21","18:00:00",""
"4088012","13.987","0.0008","14.995","0.0009","20.228","0.0011","90","","112.449","0.002","90","","3921","0.4","122","2","122","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H66 N2 P2 Ru -","- C39 H66 N2 P2 Ru -","- C156 H264 N8 P8 Ru4 -","4","1","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0506","0.0338","","","0.0818","0.0917","","","","","","1.071","","","","has coordinates","237205","2020-10-21","18:00:00",""
"4088013","10.015","0.0016","14.317","0.002","15.83","0.002","81.185","0.006","86.493","0.006","72.928","0.006","2143.8","0.5","122","2","122","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H69 Cl F3 N O3 P2 Ru S -","- C40 H69 Cl F3 N O3 P2 Ru S -","- C80 H138 Cl2 F6 N2 O6 P4 Ru2 S2 -","2","1","","Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper","Ligand Sphere Conversions in Terminal Carbide Complexes","Organometallics","2015","35","2","100","","10.1021/acs.organomet.5b00803","","","0.71073","MoKα","","0.0328","0.0276","","","0.0651","0.0678","","","","","","1.033","","","","has coordinates","237207","2020-10-21","18:00:00",""
"4088014","7.8798","0.0002","14.6553","0.0003","32.3149","0.0007","90","","90","","90","","3731.75","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl N6 Rh -","- C19 H22 Cl N6 Rh -","- C152 H176 Cl8 N48 Rh8 -","8","1","","Buck, Dominik M.; Kunz, Doris","Triazine Annelated NHC Featuring Unprecedented Coordination Versatility","Organometallics","2015","34","21","5335","","10.1021/acs.organomet.5b00805","","","0.71073","MoKα","","0.0364","0.0308","","","0.0695","0.0718","","","","","","1.083","","","","has coordinates,has disorder","237210","2020-10-21","18:00:00",""
"4088015","20.5293","0.0006","20.5293","0.0006","24.4165","0.001","90","","90","","120","","8911.7","0.5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C150 H186 B6 F24 N54 Rh6 -","- C120 H141 B6 F24.002 N39 Rh6 -","- C240 H282 B12 F48.004 N78 Rh12 -","2","0.166667","","Buck, Dominik M.; Kunz, Doris","Triazine Annelated NHC Featuring Unprecedented Coordination Versatility","Organometallics","2015","34","21","5335","","10.1021/acs.organomet.5b00805","","","0.71073","MoKα","","0.1125","0.0686","","","0.1727","0.1984","","","","","","1.093","","","","has coordinates,has disorder","237212","2020-10-21","18:00:00",""
"4088021","9.6422","0.0006","15.7842","0.001","9.7038","0.0006","90","","116.749","0.0011","90","","1318.82","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 F6 Ni P2 -","- C29 H24 F6 Ni P2 -","- C58 H48 F12 Ni2 P4 -","2","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene","Organometallics","2015","34","24","5683","","10.1021/acs.organomet.5b00808","","","0.71073","MoKα","","0.0209","0.0201","","","0.0493","0.0496","","","","","","1.008","","","","has coordinates","237218","2020-10-21","18:00:00",""
"4088022","10.4679","0.0003","11.661","0.0003","24.7749","0.0008","90","","90","","90","","3024.18","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F2 Ni O3 P3 -","- C30 H33 F2 Ni O3 P3 -","- C120 H132 F8 Ni4 O12 P12 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene","Organometallics","2015","34","24","5683","","10.1021/acs.organomet.5b00808","","","0.71073","MoKα","","0.0644","0.0396","","","0.0716","0.078","","","","","","1.016","","","","has coordinates,has disorder","237220","2020-10-21","18:00:00",""
"4088023","11.71475","0.00007","23.193","0.0002","19.8589","0.0002","90","","98.147","0.0006","90","","5341.21","0.08","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H58 B2 Cl4 F8 N5 P2 Rh -","- C47 H58 B2 Cl4 F8 N5 P2 Rh -","- C188 H232 B8 Cl16 F32 N20 P8 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","1.54184","CuKα","","0.0223","0.0218","","","0.0549","0.0552","","","","","","1.037","","","","has coordinates,has disorder","237222","2020-10-21","18:00:00",""
"4088024","13.3773","0.0001","24.026","0.0003","16.9704","0.0002","90","","97.94","0.0008","90","","5402.05","0.1","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C48 H59 B3 Cl2 F12 N7 P2 Rh -","- C45 H54 B3 F12 N6 P2 Rh -","- C180 H216 B12 F48 N24 P8 Rh4 -","4","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","1.54184","CuKα","","0.0389","0.0385","","","0.1012","0.1016","","","","","","1.02","","","","has coordinates,has disorder","237222","2020-10-21","18:00:00",""
"4088025","21.0952","0.0002","13.1999","0.0001","34.2129","0.0003","90","","109.683","0.001","90","","8970.09","0.15","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C87 H106 Cl2 I4 N8 O P4 Rh2 -","- C86 H102 I4 N8 P4 Rh2 -","- C344 H408 I16 N32 P16 Rh8 -","4","0.5","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","0.71073","MoKα","","0.0356","0.0337","","","0.0839","0.085","","","","","","1.072","","","","has coordinates,has disorder","237222","2020-10-21","18:00:00",""
"4088026","12.5901","0.0002","14.1532","0.0002","21.0991","0.0004","90","","106.791","0.002","90","","3599.36","0.11","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65 H66 B3 Cl4 F12 N6 P2 Rh -","- C64 H64 B3 Cl2 F12 N6 P2 Rh -","- C128 H128 B6 Cl4 F24 N12 P4 Rh2 -","2","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands","Organometallics","2015","34","24","5723","","10.1021/acs.organomet.5b00809","","","0.71073","MoKα","","0.0545","0.0485","","","0.1204","0.1256","","","","","","1.042","","","","has coordinates","237222","2020-10-21","18:00:00",""
"4088027","6.0054","0.0004","7.5812","0.0005","9.0629","0.0006","90","","96.034","0.006","90","","410.33","0.05","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F Fe -","- C10 H9 F Fe -","- C20 H18 F2 Fe2 -","2","0.5","","Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.","The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes","Organometallics","2015","34","22","5461","","10.1021/acs.organomet.5b00811","","","0.71073","MoKα","","0.0485","0.0383","","","0.0942","0.1024","","","","","","1.085","","","","has coordinates,has disorder","237225","2020-10-21","18:00:00",""
"4088028","6.86","0.0004","10.6829","0.0005","11.3933","0.0006","90","","106.195","0.005","90","","801.82","0.08","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F2 Fe -","- C10 H8 F2 Fe -","- C40 H32 F8 Fe4 -","4","1","","Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.","The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes","Organometallics","2015","34","22","5461","","10.1021/acs.organomet.5b00811","","","0.71073","MoKα","","0.0374","0.0296","","","0.0697","0.0754","","","","","","1.081","","","","has coordinates","237225","2020-10-21","18:00:00",""
"4088029","13.5151","0.0009","7.3764","0.0004","9.7375","0.0007","90","","110.152","0.008","90","","911.33","0.11","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Fe -","- C10 H8 Cl2 Fe -","- C40 H32 Cl8 Fe4 -","4","0.5","","Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.","The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes","Organometallics","2015","34","22","5461","","10.1021/acs.organomet.5b00811","","","0.71073","MoKα","","0.0212","0.02","","","0.0506","0.0511","","","","","","1.174","","","","has coordinates","237225","2020-10-21","18:00:00",""
"4088030","12.7625","0.0002","10.8996","0.0002","19.5864","0.0006","90","","90.0276","0.0019","90","","2724.59","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Fe O2 S -","- C16 H14 Fe O2 S -","- C128 H112 Fe8 O16 S8 -","8","2","","Inkpen, Michael S.; Du, Shuoren; Hildebrand, Mariana; White, Andrew J. P.; Harrison, Nicholas M.; Albrecht, Tim; Long, Nicholas J.","The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes","Organometallics","2015","34","22","5461","","10.1021/acs.organomet.5b00811","","","0.71073","MoKα","","0.0336","0.0289","","","0.0592","0.0614","","","","","","1.05","","","","has coordinates","237225","2020-10-21","18:00:00",""
"4088031","10.9091","0.0003","8.4128","0.0002","20.1396","0.0005","90","","94.569","0.001","90","","1842.46","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br P -","- C24 H18 Br P -","- C96 H72 Br4 P4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0671","0.0438","","","0.101","0.1135","","","","","","1.028","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088032","10.8919","0.0003","8.4344","0.0002","20.3175","0.0006","90","","94.242","0.001","90","","1861.39","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 As Br -","- C24 H18 As Br -","- C96 H72 As4 Br4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.042","0.0307","","","0.0759","0.0796","","","","","","1.057","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088033","10.9265","0.0003","8.5022","0.0002","20.5734","0.0006","90","","93.534","0.001","90","","1907.62","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br Sb -","- C24 H18 Br Sb -","- C96 H72 Br4 Sb4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0384","0.0254","","","0.0503","0.0539","","","","","","1.058","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088034","12.0462","0.0004","8.7352","0.0002","25.0693","0.0007","90","","98.504","0.001","90","","2608.94","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 As Te -","- C33 H29 As Te -","- C132 H116 As4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0302","0.0222","","","0.0452","0.0475","","","","","","1.039","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088035","8.7261","0.0002","11.7875","0.0003","14.189","0.0003","79.576","0.001","74.286","0.001","75.358","0.001","1349.35","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 Sb Te -","- C33 H29 Sb Te -","- C66 H58 Sb2 Te2 -","2","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0594","0.0307","","","0.0503","0.057","","","","","","1.025","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088036","8.7067","0.0003","12.5095","0.0005","22.0558","0.0008","90","","94.318","0.001","90","","2395.42","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl O P Te -","- C28 H26 Cl O P Te -","- C112 H104 Cl4 O4 P4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0628","0.0496","","","0.1059","0.1098","","","","","","1.217","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088037","8.5366","0.0017","11.678","0.002","12.597","0.003","89.5","0.03","87.76","0.03","85.74","0.03","1251.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Cl3 P Te -","- C25 H20 Cl3 P Te -","- C50 H40 Cl6 P2 Te2 -","2","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0512","0.0452","","","0.1284","0.1333","","","","","","1.083","","","","has coordinates,has disorder","237228","2020-10-21","18:00:00",""
"4088038","11.7394","0.0003","12.5066","0.0003","14.3469","0.0003","91.146","0.001","101.003","0.001","117.065","0.001","1827.45","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 P2 Te -","- C48 H36 P2 Te -","- C96 H72 P4 Te2 -","2","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.045","0.0309","","","0.0671","0.0718","","","","","","1.05","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088039","14.502","0.004","8.33","0.002","14.464","0.004","90","","91.826","0.005","90","","1746.4","0.8","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl P Te -","- C18 H22 Cl P Te -","- C72 H88 Cl4 P4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71075","MoKα","","","0.0871","","","","0.2343","","","","","","1.013","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088040","7.786","0.0008","13.9267","0.0014","16.4054","0.0018","90","","97.078","0.007","90","","1765.3","0.3","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Br P Te -","- C18 H22 Br P Te -","- C72 H88 Br4 P4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71075","MoKα","","","0.023","","","","0.0536","","","","","","1.037","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088041","7.9634","0.0012","14.047","0.002","16.871","0.003","90","","99.976","0.003","90","","1858.7","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 I P Te -","- C18 H22 I P Te -","- C72 H88 I4 P4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71075","MoKα","","","0.0341","","","","0.1156","","","","","","1.013","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088042","22.509","0.004","11.4213","0.0018","22.101","0.004","90","","110.786","0.002","90","","5312","1.6","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Cl4 I6 P2 Te3 -","- C38 H48 Cl4 I6 P2 Te3 -","- C152 H192 Cl16 I24 P8 Te12 -","4","0.5","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71075","MoKα","","","0.0381","","","","0.1345","","","","","","1.099","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088043","9.8954","0.0008","15.5322","0.0015","14.5588","0.0014","90","","93.366","0.002","90","","2233.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 I3 P Te -","- C18 H22 I3 P Te -","- C72 H88 I12 P4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71075","MoKα","","0.0174","0.0158","","","0.0407","0.0412","","","","","","1.033","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088044","8.5859","0.0003","13.5523","0.0004","20.3142","0.0006","90","","99.133","0.001","90","","2333.77","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F3 O3 P S Te -","- C25 H18 F3 O3 P S Te -","- C100 H72 F12 O12 P4 S4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0505","0.03","","","0.0552","0.0604","","","","","","1.031","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088045","8.6484","0.0003","13.5162","0.0004","20.5103","0.0006","90","","99.069","0.001","90","","2367.55","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 As F3 O3 S Te -","- C25 H18 As F3 O3 S Te -","- C100 H72 As4 F12 O12 S4 Te4 -","4","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0335","0.0237","","","0.0463","0.0496","","","","","","1.087","","","","has coordinates","237228","2020-10-21","18:00:00",""
"4088046","22.9864","0.0009","12.573","0.0005","20.1946","0.0008","90","","115.397","0.001","90","","5272.4","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F3 O3 S Sb Te -","- C28 H24 F3 O3 S Sb Te -","- C224 H192 F24 O24 S8 Sb8 Te8 -","8","1","","Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates","Organometallics","2015","34","21","5341","","10.1021/acs.organomet.5b00813","","","0.71073","MoKα","","0.0464","0.0313","","","0.0609","0.067","","","","","","1.07","","","","has coordinates,has disorder","237228","2020-10-21","18:00:00",""
"4088047","14.1526","0.001","13.8286","0.001","18.801","0.001","90","","106.105","0.001","90","","3535.2","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C43 H37 N3 P2 -","- C43 H37 N3 P2 -","- C172 H148 N12 P8 -","4","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0707","0.053","","","0.1018","0.1149","","","","","","0.829","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088048","10.404","0.001","10.463","0.001","19.122","0.001","95.145","0.001","98.591","0.001","100.903","0.001","2006.1","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H73 N3 P2 -","- C43 H73 N3 P2 -","- C86 H146 N6 P4 -","2","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.069","0.057","","","0.1259","0.1322","","","","","","1.154","","","","has coordinates,has disorder","237231","2020-10-21","18:00:00",""
"4088049","12.436","0.001","19.958","0.001","16.539","0.001","90","","106.207","0.001","90","","3941.8","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H67 N3 P2 Yb -","- C39 H67 N3 P2 Yb -","- C156 H268 N12 P8 Yb4 -","4","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0517","0.0403","","","0.0793","0.0863","","","","","","1.032","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088050","24.468","0.001","15.462","0.001","9.328","0.001","90","","90","","90","","3529","0.5","150","0.1","150","0.1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C63 H67 N3 P2 Yb -","- C63 H67 N3 P2 Yb -","- C126 H134 N6 P4 Yb2 -","2","0.5","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0511","0.0472","","","0.0982","0.0999","","","","","","1.105","","","","has coordinates,has disorder","237231","2020-10-21","18:00:00",""
"4088051","15.281","0.001","10.192","0.001","17.485","0.001","90","","109.475","0.001","90","","2567.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 N2 P2 Yb -","- C26 H34 N2 P2 Yb -","- C104 H136 N8 P8 Yb4 -","4","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0796","0.0541","","","0.0929","0.1042","","","","","","1.137","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088052","12.147","0.001","17.328","0.001","19.089","0.001","90","","103.954","0.001","90","","3899.3","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 N3 P4 Yb -","- C35 H61 N3 P4 Yb -","- C140 H244 N12 P16 Yb4 -","4","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0347","0.0289","","","0.0578","0.0608","","","","","","1.065","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088053","12.915","0.001","15.754","0.001","16.175","0.001","102.862","0.001","110.668","0.001","100.684","0.001","2873.5","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H69 N3 P4 Yb -","- C66 H69 N3 P4 Yb -","- C132 H138 N6 P8 Yb2 -","2","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0463","0.0385","","","0.0825","0.0873","","","","","","1.052","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088054","16.994","0.001","34.291","0.001","27.1533","0.0009","90","","96.486","0.003","90","","15722.1","1.2","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C59 H97 N3 P4 Yb -","- C59 H97 N3 P4 Yb -","- C472 H776 N24 P32 Yb8 -","8","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0752","0.0497","","","0.1","0.1119","","","","","","1.062","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4088056","8.5679","0.0003","10.9211","0.0002","9.1349","0.0003","90","","111.803","0.004","90","","793.62","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 Cl N2 -","- C15 H25 Cl N2 -","- C30 H50 Cl2 N4 -","2","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0368","0.0323","","","0.0815","0.0864","","","","","","1.041","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088057","15.7351","0.0002","15.7351","0.0002","19.13","0.0004","90","","90","","90","","4736.46","0.13","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C20.5 H32 Cl Cu D1.5 Ge N2 -","- C20.5 H32 Cl Cu D1.5 Ge N2 -","- C164 H256 Cl8 Cu8 D12 Ge8 N16 -","8","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0335","0.0303","","","0.0825","0.0861","","","","","","1.109","","","","has coordinates,has disorder","237235","2020-10-21","18:00:00",""
"4088058","15.7485","0.0005","19.2429","0.0005","16.0089","0.0004","90","","90.412","0.003","90","","4851.3","0.2","151","2","151","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C83 H136 Ag4 Cl4 Ge4 N8 -","- C83 H136 Ag4 Cl4 Ge4 N8 -","- C166 H272 Ag8 Cl8 Ge8 N16 -","2","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.1202","0.1129","","","0.3664","0.3753","","","","","","1.183","","","","has coordinates,has disorder","237235","2020-10-21","18:00:00",""
"4088059","13.0931","0.0001","17.5197","0.0002","19.1187","0.0002","90","","90","","90","","4385.58","0.08","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 Au Cl Ge N2 -","- C19 H32 Au Cl Ge N2 -","- C152 H256 Au8 Cl8 Ge8 N16 -","8","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0301","0.0275","","","0.0713","0.0741","","","","","","1.059","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088060","16.4093","0.0003","10.3287","0.0002","25.7585","0.0004","90","","92.836","0.002","90","","4360.38","0.13","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Ag B F4 Ge2 N4 -","- C38 H64 Ag B F4 Ge2 N4 -","- C152 H256 Ag4 B4 F16 Ge8 N16 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0363","0.0338","","","0.0884","0.0909","","","","","","1.03","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088061","28.4631","0.001","23.2026","0.0005","16.3645","0.0004","90","","90","","90","","10807.4","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","2,2,-Bis{bis[bis(trimethylsilyl)methyl-chlorido-stannyl]}propane","","- C32.5 H85 Cl2 O0.5 Si8 Sn2 -","- C31 H82 Cl2 Si8 Sn2 -","- C248 H656 Cl16 Si64 Sn16 -","8","1","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","0.71073","MoKα","","0.077","0.0483","","","0.1331","0.1477","","","","","","0.96","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088062","18.0884","0.0005","19.9197","0.0006","25.3597","0.0008","95.528","0.002","100.315","0.003","110.312","0.003","8305.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","'[1,1,3,3-bistrimethylsilylmethyl,4,4-dimethyl]-2-chlora-1,3- distannetanium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate'","","- C63 H94 B Cl F24 Si8 Sn2 -","- C63 H94 B Cl F24 Si8 Sn2 -","- C252 H376 B4 Cl4 F96 Si32 Sn8 -","4","2","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","0.71073","MoKα","","0.0814","0.0566","","","0.15","0.1635","","","","","","1.065","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088063","21.0297","0.0007","21.3202","0.0008","22.2151","0.0009","62.979","0.004","80.751","0.003","85.767","0.003","8757.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","'[1,1,3,3-bistrimethylsilylmethyl,2,2-dimethyl]-acetato-1,3- distanninanium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate'","","- C65 H97 B F24 O2 Si8 Sn2 -","- C65 H97 B F24 O2 Si8 Sn2 -","- C260 H388 B4 F96 O8 Si32 Sn8 -","4","2","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","0.71073","MoKα","","0.1034","0.06","","","0.1497","0.1699","","","","","","0.976","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088064","14.6916","0.0004","17.9511","0.0006","18.318","0.0005","113.362","0.003","97.832","0.002","104.52","0.003","4139.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","'[1,1,3,3-bistrimethylsilylmethyl,4,4-dimethyl]-2-hydroxo-1,3- distannetanium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate'","","- C63 H95 B F24 O Si8 Sn2 -","- C63 H95 B F24 O Si8 Sn2 -","- C126 H190 B2 F48 O2 Si16 Sn4 -","2","1","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","0.71073","MoKα","","0.0593","0.0507","","","0.1385","0.1442","","","","","","1.032","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088065","21.8","0.006","9.497","0.0004","25.406","0.003","90","","106.313","0.015","90","","5048.2","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","'[1,1,3,3-bistrimethylsilylmethyl,4,4-dimethyl]-2-oxo-1,3-distannetane'","","- C31 H82 O Si8 Sn2 -","- C31 H82 O Si8 Sn2 -","- C124 H328 O4 Si32 Sn8 -","4","0.5","","Wagner, Michael; Zobel, Bernhard; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Cyclic Dinuclear Organotin Cations Stabilized by Bulky Substituents","Organometallics","2015","34","23","5602","","10.1021/acs.organomet.5b00829","","","1.54178","CuKα","","0.0849","0.0807","","","0.2192","0.2277","","","","","","1.019","","","","has coordinates,has disorder","237238","2020-10-21","18:00:00",""
"4088066","11.5478","","11.615","","12.1516","","72.1856","","67.8203","","83.1857","","1436.89","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H56 Ge4 O4 S8 -","- C55 H55 Ge4 O4 S8 -","- C55 H55 Ge4 O4 S8 -","1","0.5","","Ohshita, Joji; Nakamura, Masashi; Ooyama, Yousuke","Preparation and Reactions of Dichlorodithienogermoles","Organometallics","2015","34","23","5609","","10.1021/acs.organomet.5b00832","","","0.71075","MoKα","","0.0425","0.0321","","","0.0989","0.1317","","","","","","0.999","","","","has coordinates","237240","2020-10-21","18:00:00",""
"4088067","8.745","0.004","13.115","0.005","15.438","0.006","90","","93.689","0.005","90","","1766.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","20140623DTGH2","","","- C16 H12 Ge2 S4 -","- C16 H12 Ge2 S4 -","- C64 H48 Ge8 S16 -","4","0.5","","Ohshita, Joji; Nakamura, Masashi; Ooyama, Yousuke","Preparation and Reactions of Dichlorodithienogermoles","Organometallics","2015","34","23","5609","","10.1021/acs.organomet.5b00832","","","0.71073","MoKa","","0.0284","0.0228","","","0.0548","0.0585","","","","","","1.042","","","","has coordinates","237241","2020-10-21","18:00:00",""
"4088068","14.1272","0.0003","15.6818","0.0004","19.7114","0.0005","88.28","0.001","77.085","0.001","87.828","0.001","4252.29","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H68 Cl4 Co2 N8 O3.5 -","- C31.5 H68 Cl4 Co2 N8 O3.5 -","- C126 H272 Cl16 Co8 N32 O14 -","4","2","","Natoli, Sean N.; Cook, Timothy D.; Abraham, Tara R.; Kiernicki, John J.; Fanwick, Phillip E.; Ren, Tong","Cobalt(III) Bridged by gem-DEE: Facile Access to a New Type of Cross-Conjugated Organometallics","Organometallics","2015","34","21","5207","","10.1021/acs.organomet.5b00833","","","0.71073","MoKα","","0.0786","0.0543","","","0.139","0.1506","","","","","","1.028","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4088069","10.6098","0.0005","17.5811","0.0006","12.7469","0.0004","90","","96.791","0.002","90","","2361.02","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 Cl2 Co N4 O2 -","- C20 H39 Cl2 Co N4 O2 -","- C80 H156 Cl8 Co4 N16 O8 -","4","1","","Natoli, Sean N.; Cook, Timothy D.; Abraham, Tara R.; Kiernicki, John J.; Fanwick, Phillip E.; Ren, Tong","Cobalt(III) Bridged by gem-DEE: Facile Access to a New Type of Cross-Conjugated Organometallics","Organometallics","2015","34","21","5207","","10.1021/acs.organomet.5b00833","","","0.71073","MoKα","","0.0886","0.0639","","","0.1825","0.1981","","","","","","1.092","","","","has coordinates","237243","2020-10-21","18:00:00",""
"4088070","19.1438","0.001","9.9999","0.0004","13.7463","0.0005","90","","103.304","0.003","90","","2560.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Cl4 Co2 N8 O4 -","- C40 H76 Cl4 Co2 N8 O4 -","- C80 H152 Cl8 Co4 N16 O8 -","2","0.5","","Natoli, Sean N.; Cook, Timothy D.; Abraham, Tara R.; Kiernicki, John J.; Fanwick, Phillip E.; Ren, Tong","Cobalt(III) Bridged by gem-DEE: Facile Access to a New Type of Cross-Conjugated Organometallics","Organometallics","2015","34","21","5207","","10.1021/acs.organomet.5b00833","","","0.71073","MoKα","","0.0887","0.0435","","","0.0863","0.0997","","","","","","0.986","","","","has coordinates","237243","2020-10-21","18:00:00",""
"4088071","16.04","0.0006","16.8124","0.0006","16.8412","0.0006","104.695","0.0004","107.835","0.0004","108.421","0.0004","3780.4","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H57 B F20 N P2 Ru -","- C91 H57 B F20 N P2 Ru -","- C182 H114 B2 F40 N2 P4 Ru2 -","2","1","","Belli, Roman G.; Burton, Krista M. E.; Rufh, Stephanie A.; McDonald, Robert; Rosenberg, Lisa","Inner- and Outer-Sphere Roles of Ruthenium Phosphido Complexes in the Hydrophosphination of Alkenes","Organometallics","2015","34","23","5637","","10.1021/acs.organomet.5b00835","","","0.71073","MoKα","","0.0486","0.0377","","","0.0899","0.097","","","","","","1.047","","","","has coordinates,has disorder","237245","2020-10-21","18:00:00",""
"4088072","13.0253","0.0005","13.4007","0.0005","18.4817","0.0007","100.063","0.0005","105.083","0.0005","94.3895","0.0005","3041.5","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H38 B F20 N P2 Ru -","- C70 H38 B F20 N P2 Ru -","- C140 H76 B2 F40 N2 P4 Ru2 -","2","1","","Belli, Roman G.; Burton, Krista M. E.; Rufh, Stephanie A.; McDonald, Robert; Rosenberg, Lisa","Inner- and Outer-Sphere Roles of Ruthenium Phosphido Complexes in the Hydrophosphination of Alkenes","Organometallics","2015","34","23","5637","","10.1021/acs.organomet.5b00835","","","0.71073","MoKα","","0.0443","0.036","","","0.0862","0.092","","","","","","1.05","","","","has coordinates","237245","2020-10-21","18:00:00",""
"4088073","19.0713","0.0019","13.2198","0.0013","12.198","0.0012","90","","90.829","0.001","90","","3075","0.5","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H51 N2 Si4 Sm -","- C22 H51 N2 Si4 Sm -","- C88 H204 N8 Si16 Sm4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0325","0.0246","","","0.0583","0.0611","","","","","","1.039","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088074","18.9997","0.0015","13.1655","0.001","12.0535","0.0009","90","","90.545","0.001","90","","3014.9","0.4","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H51 N2 Si4 Yb -","- C22 H51 N2 Si4 Yb -","- C88 H204 N8 Si16 Yb4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0377","0.0328","","","0.0849","0.0868","","","","","","1.145","","","","has coordinates,has disorder","237248","2020-10-21","18:00:00",""
"4088075","17.6494","0.0007","17.6494","0.0007","47.2477","0.0018","90","","90","","120","","12745.9","0.9","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H48 Eu N Si2 -","- C26 H48 Eu N Si2 -","- C468 H864 Eu18 N18 Si36 -","18","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0381","0.0326","","","0.0813","0.084","","","","","","1.174","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088076","10.2768","0.0007","20.9232","0.0014","14.4697","0.001","90","","96.958","0.001","90","","3088.4","0.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 N2 O Si4 Sm -","- C22 H51 N2 O Si4 Sm -","- C88 H204 N8 O4 Si16 Sm4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0177","0.0167","","","0.0442","0.0447","","","","","","1.06","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088077","10.1563","0.0006","20.9406","0.0013","14.362","0.0009","90","","96.658","0.001","90","","3033.9","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 N2 O Si4 Yb -","- C22 H51 N2 O Si4 Yb -","- C88 H204 N8 O4 Si16 Yb4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0189","0.0171","","","0.0452","0.0463","","","","","","1.057","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088078","10.4307","0.0005","13.7958","0.0007","19.0532","0.001","90","","104.495","0.0006","90","","2654.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Eu2 N8 O4 -","- C48 H84 Eu2 N8 O4 -","- C96 H168 Eu4 N16 O8 -","2","0.5","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0303","0.0294","","","0.0782","0.0788","","","","","","1.211","","","","has coordinates,has disorder","237248","2020-10-21","18:00:00",""
"4088079","9.8752","0.0011","19.575","0.002","18.055","0.002","90","","95.314","0.001","90","","3475.2","0.7","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H57 Eu N4 O2 -","- C34 H57 Eu N4 O2 -","- C136 H228 Eu4 N16 O8 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.047","0.0413","","","0.1058","0.1119","","","","","","1.06","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088080","17.0888","0.001","14.3626","0.0009","17.989","0.0011","90","","90","","90","","4415.2","0.5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Sm -","- C18 H39 Al2 Sm -","- C144 H312 Al16 Sm8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0314","0.0259","","","0.0669","0.0722","","","","","","1.088","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088081","17.1013","0.0007","14.272","0.0006","17.9024","0.0008","90","","90","","90","","4369.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Yb -","- C18 H39 Al2 Yb -","- C144 H312 Al16 Yb8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0234","0.0195","","","0.0508","0.0536","","","","","","1.055","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088082","11.1956","0.0015","12.6663","0.0016","15.014","0.003","106.392","0.002","100.659","0.002","111.773","0.002","1793.8","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Sm2 -","- C76 H116 Al2 Sm2 -","- C76 H116 Al2 Sm2 -","1","0.5","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0518","0.05","","","0.1264","0.1277","","","","","","1.196","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088083","11.2233","0.0008","12.409","0.0009","14.7476","0.0016","103.431","0.0012","100.205","0.0011","112.066","0.0008","1769.9","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H116 Al2 Yb2 -","- C76 H116 Al2 Yb2 -","- C76 H116 Al2 Yb2 -","1","0.5","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0327","0.0305","","","0.0764","0.0781","","","","","","1.049","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088084","12.6202","0.0006","19.9665","0.001","18.6483","0.001","90","","91.146","0.001","90","","4698.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 Cl4 O3 Sm3 -","- C43 H71 Cl4 O3 Sm3 -","- C172 H284 Cl16 O12 Sm12 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0325","0.0266","","","0.0602","0.0625","","","","","","1.072","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088085","10.615","0.002","15.24","0.003","17.253","0.004","91.758","0.003","102.925","0.003","92.034","0.003","2716.5","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H50 Al Yb -","- C28 H50 Al Yb -","- C112 H200 Al4 Yb4 -","4","2","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.1431","0.1009","","","0.2864","0.3163","","","","","","1.168","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088086","12.5262","0.0005","13.4605","0.0006","17.9279","0.0008","90","","99.2456","0.0005","90","","2983.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H55 Al O2 Yb -","- C26 H55 Al O2 Yb -","- C104 H220 Al4 O8 Yb4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0221","0.0206","","","0.0541","0.0549","","","","","","1.127","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088087","9.7235","0.0003","13.6123","0.0004","14.373","0.0005","90","","93.79","","90","","1898.24","0.1","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Pb -","- C20 H30 Pb -","- C80 H120 Pb4 -","4","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0135","0.0123","","","0.0311","0.0315","","","","","","1.076","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088088","5.3182","0.0002","9.8009","0.0004","24.1848","0.0008","90","","92.483","0.003","90","","1259.4","0.08","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N6 -","- C34 H24 N6 -","- C68 H48 N12 -","2","0.5","","Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida","Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes","Organometallics","2015","34","23","5513","","10.1021/acs.organomet.5b00838","","x-ray","1.54184","CuKα","","0.0476","0.0419","","","0.1117","0.1154","","","","","","1.091","","","","has coordinates","237250","2020-10-21","18:00:00",""
"4088089","15.2882","0.0003","19.3171","0.0003","20.026","0.0004","85.8675","0.0015","83.4417","0.0017","81.9153","0.0015","5807.62","0.19","100","0.1","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C56 H38 Br2 F6 Ir N8 P -","- C56 H38 Br2 F6 Ir N8 P -","- C224 H152 Br8 F24 Ir4 N32 P4 -","4","2","","Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida","Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes","Organometallics","2015","34","23","5513","","10.1021/acs.organomet.5b00838","","x-ray","1.54184","CuKα","","0.0718","0.0576","","","0.1509","0.1597","","","","","","1.082","","","","has coordinates,has disorder","237252","2020-10-21","18:00:00",""
"4088090","28.2267","0.0012","13.2492","0.0003","26.6858","0.0009","90","","104.771","0.004","90","","9650.2","0.6","99.94","0.17","99.94","0.17","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H31 Br F6 Ir N6 P -","- C44 H31 Br F6 Ir N6 P -","- C352 H248 Br8 F48 Ir8 N48 P8 -","8","1","","Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida","Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes","Organometallics","2015","34","23","5513","","10.1021/acs.organomet.5b00838","","x-ray","0.71073","MoKα","","0.1066","0.0652","","","0.157","0.1735","","","","","","0.957","","","","has coordinates,has disorder","237253","2020-10-21","18:00:00",""
"4088091","17.166","0.0002","21.8245","0.0002","20.9858","0.0004","90","","93.194","0.001","90","","7849.89","0.19","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 F6 Ir N8 P -","- C44 H34 F6 Ir N8 P -","- C352 H272 F48 Ir8 N64 P8 -","8","1","","Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida","Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes","Organometallics","2015","34","23","5513","","10.1021/acs.organomet.5b00838","","x-ray","0.71073","MoKα","","0.0359","0.0285","","","0.0649","0.0686","","","","","","1.087","","","","has coordinates,has disorder","237255","2020-10-21","18:00:00",""
"4088092","22.4848","0.0006","9.4724","0.0002","20.0655","0.0007","90","","94.08","0.003","90","","4262.8","0.2","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cl2 F10 Ir N8 P -","- C45 H30 Cl2 F10 Ir N8 P -","- C180 H120 Cl8 F40 Ir4 N32 P4 -","4","1","","Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida","Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes","Organometallics","2015","34","23","5513","","10.1021/acs.organomet.5b00838","","x-ray","0.71073","MoKα","","0.0422","0.0339","","","0.0663","0.0692","","","","","","1.112","","","","has coordinates","237257","2020-10-21","18:00:00",""
"4088093","19.3168","0.0012","14.8689","0.0009","24.9609","0.0014","90","","101.112","0.002","90","","7034.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H77 Fe N4 P2 -","- C78 H77 Fe N4 P2 -","- C312 H308 Fe4 N16 P8 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Tiedemann, Margaret A.; Small, Brooke L.; Chirik, Paul J.","Synthesis and Electronic Structure of Iron Borate Betaine Complexes as a Route to Single-Component Iron Ethylene Oligomerization and Polymerization Catalysts","Organometallics","2015","34","23","5615","","10.1021/acs.organomet.5b00839","","","0.71073","MoKα","","0.0796","0.0637","","","0.1735","0.1839","","","","","","1.039","","","","has coordinates,has disorder","237260","2020-10-21","18:00:00",""
"4088094","14.38","0.005","15.676","0.005","17.063","0.005","79.366","0.005","71.927","0.005","77.544","0.005","3542","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H156 B2 F30 Fe2 N6 O8 -","- C138 H156 B2 F30 Fe2 N6 O8 -","- C138 H156 B2 F30 Fe2 N6 O8 -","1","0.5","","Schaefer, Brian A.; Margulieux, Grant W.; Tiedemann, Margaret A.; Small, Brooke L.; Chirik, Paul J.","Synthesis and Electronic Structure of Iron Borate Betaine Complexes as a Route to Single-Component Iron Ethylene Oligomerization and Polymerization Catalysts","Organometallics","2015","34","23","5615","","10.1021/acs.organomet.5b00839","","","1.54184","CuKα","","0.0536","0.0511","","","0.1374","0.1391","","","","","","1.044","","","","has coordinates","237260","2020-10-21","18:00:00",""
"4088095","13.3647","0.0003","24.8582","0.0005","19.9689","0.0004","90","","119.124","0.001","90","","5795.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 B F15 Fe N3 O2 -","- C61 H64 B F15 Fe N3 O2 -","- C244 H256 B4 F60 Fe4 N12 O8 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Tiedemann, Margaret A.; Small, Brooke L.; Chirik, Paul J.","Synthesis and Electronic Structure of Iron Borate Betaine Complexes as a Route to Single-Component Iron Ethylene Oligomerization and Polymerization Catalysts","Organometallics","2015","34","23","5615","","10.1021/acs.organomet.5b00839","","","1.54178","CuKα","","0.0398","0.0376","","","0.1049","0.1069","","","","","","1.044","","","","has coordinates","237260","2020-10-21","18:00:00",""
"4088096","25.1329","0.0006","10.3301","0.0003","29.5942","0.0007","90","","108.12","0.001","90","","7302.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H86 Br Fe N4 P2 -","- C88 H86 Br Fe N4 P2 -","- C352 H344 Br4 Fe4 N16 P8 -","4","0.5","","Schaefer, Brian A.; Margulieux, Grant W.; Tiedemann, Margaret A.; Small, Brooke L.; Chirik, Paul J.","Synthesis and Electronic Structure of Iron Borate Betaine Complexes as a Route to Single-Component Iron Ethylene Oligomerization and Polymerization Catalysts","Organometallics","2015","34","23","5615","","10.1021/acs.organomet.5b00839","","","1.54185","CuKα","","0.0266","0.0251","","","0.0646","0.0656","","","","","","1.057","","","","has coordinates","237260","2020-10-21","18:00:00",""
"4088097","21.583","0.004","10.701","0.002","17.66","0.004","90","","104.45","0.03","90","","3949.7","1.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 I O4 Sm -","- C45 H53 I O4 Sm -","- C180 H212 I4 O16 Sm4 -","4","1","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.7107","Synchrotron","","0.039","0.0323","","","0.0774","0.0842","","","","","","1.073","","","","has coordinates","237262","2020-10-21","18:00:00",""
"4088098","13.268","0.003","23.619","0.005","68.846","0.014","90","","93.7","0.03","90","","21530","8","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H42 O8 Yb -","- C74 H42 O8 Yb -","- C888 H504 O96 Yb12 -","12","3","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.7107","Synchrotron","","0.1225","0.0972","","","0.2627","0.279","","","","","","1.029","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4088099","10.425","0.002","13.463","0.003","18.07","0.004","90","","95.39","0.03","90","","2524.9","0.9","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 Eu -","- C70 H50 Eu -","- C140 H100 Eu2 -","2","0.5","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.7108","Synchrotron","","0.0733","0.0526","","","0.1243","0.1383","","","","","","1.071","","","","has coordinates","237265","2020-10-21","18:00:00",""
"4088100","10.323","0.002","40.667","0.008","11.096","0.002","90","","105.38","0.03","90","","4491.3","1.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 O Sm -","- C62 H50 O Sm -","- C248 H200 O4 Sm4 -","4","1","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.71069","Synchrotron","","0.0835","0.0513","","","0.1208","0.1329","","","","","","1.034","","","","has coordinates","237267","2020-10-21","18:00:00",""
"4088101","12.209","0.0006","20.0023","0.0011","44.869","0.003","90","","97.081","0.002","90","","10873.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H67 Eu O5 -","- C68 H67 Eu O5 -","- C544 H536 Eu8 O40 -","8","2","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.712","Synchrotron","","0.0998","0.0537","","","0.0861","0.1004","","","","","","1.027","","","","has coordinates","237269","2020-10-21","18:00:00",""
"4088102","11.999","0.001","17.993","0.001","23.591","0.001","90","","99.168","0.001","90","","5028.2","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H130 Br2 O10 Sm2 -","- C102 H114 Br2 O8 Sm2 -","- C204 H228 Br4 O16 Sm4 -","2","0.5","","Kelly, Rory P.; Bell, Toby D. M.; Cox, Rosalind P.; Daniels, Daisy P.; Deacon, Glen B.; Jaroschik, Florian; Junk, Peter C.; Le Goff, Xavier F.; Lemercier, Gilles; Martinez, Agathe; Wang, Jun; Werner, Daniel","Divalent Tetra- and Penta-phenylcyclopentadienyl Europium and Samarium Sandwich and Half-Sandwich Complexes: Synthesis, Characterization, and Remarkable Luminescence Properties","Organometallics","2015","34","23","5624","","10.1021/acs.organomet.5b00842","","","0.71069","MoKα","","0.0448","0.0361","","","0.0842","0.0892","","","","","","1.031","","","","has coordinates","237271","2020-10-21","18:00:00",""
"4088103","7.1117","0.0003","15.6717","0.0007","17.0417","0.0008","90","","90","","90","","1899.34","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-ethoxy-carbene)-rhodium","","- C21 H26 Cl Fe O Rh -","- C21 H26 Cl Fe O Rh -","- C84 H104 Cl4 Fe4 O4 Rh4 -","4","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0438","0.0344","","","0.0673","0.0701","","","","","","1.074","","","","has coordinates","237274","2020-10-21","18:00:00",""
"4088104","7.624","0.0004","10.9419","0.0006","12.8133","0.0007","110.51","0.002","92.852","0.002","94.14","0.002","995.3","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-n-propylamino-carbene)-rhodium","","- C22 H29 Cl Fe N Rh -","- C22 H29 Cl Fe N Rh -","- C44 H58 Cl2 Fe2 N2 Rh2 -","2","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0446","0.0295","","","0.0549","0.0591","","","","","","1.01","","","","has coordinates","237274","2020-10-21","18:00:00",""
"4088105","9.2379","0.0005","11.6398","0.0004","15.4055","0.0009","90","","93.669","0.002","90","","1653.12","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dicarbonyl-chloro-(ferrocenyl-propylamino-carbene)-rhodium","","- C16 H17 Cl Fe N O2 Rh -","- C16 H17 Cl Fe N O2 Rh -","- C64 H68 Cl4 Fe4 N4 O8 Rh4 -","4","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0298","0.0243","","","0.059","0.0614","","","","","","1.159","","","","has coordinates","237274","2020-10-21","18:00:00",""
"4088106","10.1692","0.0006","13.202","0.0008","13.6942","0.0008","83.776","0.003","88.267","0.003","71.216","0.002","1730.3","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Chloro-carbonyl-(triphenylphosphine)-(ferrocenyl-n-propylamino-carbene) -rhodium bis(dichloromethane) solvate","","- C34 H33 Cl5 Fe O2 P Rh -","- C34 H33 Cl5 Fe O2 P Rh -","- C68 H66 Cl10 Fe2 O4 P2 Rh2 -","2","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0845","0.067","","","0.186","0.2015","","","","","","1.049","","","","has coordinates","237274","2020-10-21","18:00:00",""
"4088107","11.3093","0.001","25.726","0.002","10.9898","0.001","90","","101.349","0.003","90","","3134.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro-carbonyl-(tricyclohexylphosphine) -(ferrocenyl-n-propylamino-carbene)-rhodium","","- C32 H47 Cl Fe O2 P Rh -","- C32 H47 Cl Fe O2 P Rh -","- C128 H188 Cl4 Fe4 O8 P4 Rh4 -","4","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0547","0.0362","","","0.0668","0.0711","","","","","","1.102","","","","has coordinates,has disorder","237274","2020-10-21","18:00:00",""
"4088108","26.9936","0.001","26.9936","0.001","12.952","0.005","90","","90","","90","","9438","4","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C200 H202.2 Au8 N8 -","- C200 H202.2 Au8 N8 -","- C400 H404.4 Au16 N16 -","2","0.25","","Roşca, Dragoş-Adrian; Bochmann, Manfred","Photochemical Disproportionation of an AuIIPincer Complex: Synthesis and Structure of an AuI4AuIII4Macrocycle","Organometallics","2015","35","1","27","","10.1021/acs.organomet.5b00846","","","0.71073","MoKα","","0.0806","0.0726","","","0.1735","0.1778","","","","","","1.23","","","","has coordinates,has disorder","237277","2020-10-21","18:00:00",""
"4088109","12.609","0.002","26.9775","0.0015","17.476","0.002","90","","121.135","0.008","90","","5088.3","1.1","138","2","138","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Au2 N2 -","- C62 H66 Au2 N2 -","- C248 H264 Au8 N8 -","4","1","","Roşca, Dragoş-Adrian; Bochmann, Manfred","Photochemical Disproportionation of an AuIIPincer Complex: Synthesis and Structure of an AuI4AuIII4Macrocycle","Organometallics","2015","35","1","27","","10.1021/acs.organomet.5b00846","","","0.71073","MoKα","","0.0417","0.0347","","","0.081","0.0843","","","","","","1.1","","","","has coordinates","237277","2020-10-21","18:00:00",""
"4088110","13.8458","0.0016","13.8458","0.0016","39.21","0.005","90","","90","","90","","7516.8","1.6","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C45 H42 P2 Ru S -","- C45 H42 P2 Ru S -","- C360 H336 P16 Ru8 S8 -","8","1","","Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand","Organometallics","2015","35","1","39","","10.1021/acs.organomet.5b00852","","","0.71073","MoKα","","0.0463","0.0363","","","0.08","0.0836","","","","","","1.236","","","","has coordinates","237279","2020-10-21","18:00:00",""
"4088111","27.049","0.009","8.353","0.003","16.701","0.005","90","","98.223","0.005","90","","3735","2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H42 P2 Ru S -","- C45 H42 P2 Ru S -","- C180 H168 P8 Ru4 S4 -","4","1","","Hu, Yue; Shaw, Anthony P.; Guan, Hairong; Norton, Jack R.; Sattler, Wesley; Rong, Yi","Synthesis and Resolution of Chiral Ruthenium Complexes Containing the 1-Me-3-PhCp Ligand","Organometallics","2015","35","1","39","","10.1021/acs.organomet.5b00852","","","0.71073","MoKα","","0.086","0.0529","","","0.0732","0.0814","","","","","","1.002","","","","has coordinates","237279","2020-10-21","18:00:00",""
"4088112","11.342","0.006","11.293","0.006","15.324","0.007","90","","102.236","0.008","90","","1918.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H38 Cl6 N6 Ni -","- C36 H38 Cl6 N6 Ni -","- C72 H76 Cl12 N12 Ni2 -","2","0.25","","Astakhov, Alexander V.; Khazipov, Oleg V.; Degtyareva, Evgeniya S.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Facile Hydrolysis of Nickel(II) Complexes with N-Heterocyclic Carbene Ligands","Organometallics","2015","34","24","5759","","10.1021/acs.organomet.5b00856","","","0.71073","MoKα","","0.1307","0.0783","","","0.173","0.1997","","","","","","1.039","","","","has coordinates,has disorder","237281","2020-10-21","18:00:00",""
"4088113","13.8444","0.0009","8.6503","0.0006","14.2728","0.001","90","","117.459","0.001","90","","1516.72","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Br2 N4 Ni -","- C30 H44 Br2 N4 Ni -","- C60 H88 Br4 N8 Ni2 -","2","0.5","","Astakhov, Alexander V.; Khazipov, Oleg V.; Degtyareva, Evgeniya S.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Facile Hydrolysis of Nickel(II) Complexes with N-Heterocyclic Carbene Ligands","Organometallics","2015","34","24","5759","","10.1021/acs.organomet.5b00856","","","0.71073","MoKα","","0.0645","0.0407","","","0.1081","0.1167","","","","","","1.036","","","","has coordinates","237283","2020-10-21","18:00:00",""
"4088114","8.0621","0.001","21.662","0.003","10.319","0.0012","90","","111.367","0.002","90","","1678.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 N4 Ni -","- C36 H40 Br2 N4 Ni -","- C72 H80 Br4 N8 Ni2 -","2","0.5","","Astakhov, Alexander V.; Khazipov, Oleg V.; Degtyareva, Evgeniya S.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Facile Hydrolysis of Nickel(II) Complexes with N-Heterocyclic Carbene Ligands","Organometallics","2015","34","24","5759","","10.1021/acs.organomet.5b00856","","","0.71073","MoKα","","0.0436","0.0388","","","0.0901","0.0919","","","","","","1.014","","","","has coordinates","237285","2020-10-21","18:00:00",""
"4088115","13.141","0.0011","15.2335","0.0009","8.3686","0.0006","90","","90","","90","","1675.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H16 B N -","- C23 H16 B N -","- C92 H64 B4 N4 -","4","1","","Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.","Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.","Organometallics","2015","34","24","5767","5774","10.1021/acs.organomet.5b00857","","","0.71073","MoKα","","0.0633","0.0524","","","0.1235","0.133","","","","","","1.102","","","","has coordinates","237287","2020-10-21","18:00:00",""
"4088116","7.8789","0.0004","14.6037","0.001","13.5927","0.0009","90","","98.563","0.005","90","","1546.56","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Al B Cl5 N -","- C11 H8 Al B Cl5 N -","- C44 H32 Al4 B4 Cl20 N4 -","4","1","","Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.","Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.","Organometallics","2015","34","24","5767","5774","10.1021/acs.organomet.5b00857","","","0.71073","MoKα","","0.2033","0.0727","","","0.1453","0.2019","","","","","","0.868","","","","has coordinates","237289","2020-10-21","18:00:00",""
"4088117","8.535","0.002","9.051","0.003","9.068","0.002","65.93","0.01","66.01","0.02","73.24","0.02","578","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Cl N2 O Pd -","- C10 H15 Cl N2 O Pd -","- C20 H30 Cl2 N4 O2 Pd2 -","2","1","","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Potential Hemilabile (Imino)pyridine Palladium(II) Complexes as Selective Ethylene Dimerization Catalysts: An Experimental and Theoretical Approach","Organometallics","2015","34","23","5647","","10.1021/acs.organomet.5b00860","","","0.71073","MoKα","","0.0219","0.0207","","","0.0544","0.0551","","","","","","1.099","","","","has coordinates","237292","2020-10-21","18:00:00",""
"4088118","8.5989","0.0018","20.087","0.004","7.4614","0.0016","90","","105.232","0.004","90","","1243.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl N2 O Pd -","- C11 H17 Cl N2 O Pd -","- C44 H68 Cl4 N8 O4 Pd4 -","4","1","","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Potential Hemilabile (Imino)pyridine Palladium(II) Complexes as Selective Ethylene Dimerization Catalysts: An Experimental and Theoretical Approach","Organometallics","2015","34","23","5647","","10.1021/acs.organomet.5b00860","","","0.71073","MoKα","","0.0282","0.0268","","","0.0632","0.0639","","","","","","1.16","","","","has coordinates,has disorder","237294","2020-10-21","18:00:00",""
"4088123","10.6061","0.0003","13.219","0.0004","12.2796","0.0003","90","","102.989","0.001","90","","1677.57","0.08","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H20 Cl N O Ru -","- C19 H20 Cl N O Ru -","- C76 H80 Cl4 N4 O4 Ru4 -","4","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.0347","0.0284","","","0.0707","0.0747","","","","","","1.041","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088124","10.6388","0.0005","13.3818","0.0007","12.2984","0.0007","90","","101.368","0.004","90","","1716.53","0.16","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H20 Br N O Ru -","- C19 H20 Br N O Ru -","- C76 H80 Br4 N4 O4 Ru4 -","4","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.0681","0.0408","","","0.089","0.0994","","","","","","1.002","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088125","20.0217","0.0008","7.7798","0.0002","24.5606","0.0008","90","","90","","90","","3825.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Chlorido(5,7-dibromo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H18 Br2 Cl N O Ru -","- C19 H18 Br2 Cl N O Ru -","- C152 H144 Br16 Cl8 N8 O8 Ru8 -","8","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.147","0.0978","","","0.214","0.2366","","","","","","1.096","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088126","15.2388","0.0006","7.9292","0.0003","15.9301","0.0006","90","","99.105","0.002","90","","1900.6","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bromido(5-chloro-7-iodo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H18 Br Cl I N O Ru -","- C19 H18 Br Cl I N O Ru -","- C76 H72 Br4 Cl4 I4 N4 O4 Ru4 -","4","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.0304","0.0255","","","0.0647","0.0669","","","","","","1.058","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088127","11.302","0.001","17.074","0.002","14.883","0.001","90","","106.013","0.002","90","","2760.5","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl N3 O2 Ru S -","- C29 H30 Cl N3 O2 Ru S -","- C116 H120 Cl4 N12 O8 Ru4 S4 -","4","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71073","MoKα","","0.0582","0.0343","","","0.081","0.0918","","","","","","1.025","","","","has coordinates","237300","2020-10-21","18:00:00",""
"4088128","7.838","0.001","14.515","0.002","10.514","0.002","90","","107.603","0.004","90","","1140.2","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H26 Cl N3 O2 Ru S -","- C23 H26 Cl N3 O2 Ru S -","- C46 H52 Cl2 N6 O4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71073","MoKα","","0.0359","0.0299","","","0.0653","0.0688","","","","","","1.098","","","","has coordinates","237300","2020-10-21","18:00:00",""
"4088129","9.2506","0.0003","9.5715","0.0005","15.3655","0.0012","82.378","0.011","75.674","0.01","63.612","0.007","1180.44","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H23 Cl F3 N3 O2 Ru S -","- C23 H23 Cl F3 N3 O2 Ru S -","- C46 H46 Cl2 F6 N6 O4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71075","MoKα","","0.0338","0.0304","","","0.0698","0.0724","","","","","","1.071","","","","has coordinates,has disorder","237300","2020-10-21","18:00:00",""
"4088130","7.973","0.004","22.52","0.011","9.158","0.004","90","","103.451","0.008","90","","1599.2","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H36 Cl3 N3 O2 Ru S -","- C32 H36 Cl3 N3 O2 Ru S -","- C64 H72 Cl6 N6 O4 Ru2 S2 -","2","1","","Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan","Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands","Organometallics","2015","34","24","5775","","10.1021/acs.organomet.5b00871","","","0.71075","MoKα","","0.1716","0.0808","","","0.1212","0.1599","","","","","","1.065","","","","has coordinates","237300","2020-10-21","18:00:00",""
"4088131","19.236","0.004","19.236","0.004","33.377","0.007","90","","90","","120","","10696","4","273","2","273","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C108 H96 B6 F24 N30 O12 Ru6 -","- C108 H96 B6 F24 N30 O12 Ru6 -","- C324 H288 B18 F72 N90 O36 Ru18 -","3","0.166667","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.1162","0.0854","","","0.2288","0.2517","","","","","","1.067","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088132","9.0217","0.0019","11.036","0.002","20.128","0.004","90","","102.372","0.003","90","","1957.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 I2 N3 O2 Ru -","- C19 H13 I2 N3 O2 Ru -","- C76 H52 I8 N12 O8 Ru4 -","4","1","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.048","0.0396","","","0.1035","0.1098","","","","","","1.053","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088133","8.8","0.0003","9.4116","0.0003","10.2665","0.0003","82.092","0.001","82.864","0.001","75.942","0.001","813.33","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 I2 N3 -","- C17 H13 I2 N3 -","- C34 H26 I4 N6 -","2","1","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.0325","0.0216","","","0.0423","0.0449","","","","","","1.024","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088134","9.232","0.004","11.27","0.005","20.017","0.008","90","","101.23","0.006","90","","2042.8","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I3 N3 O Rh -","- C18 H13 I3 N3 O Rh -","- C72 H52 I12 N12 O4 Rh4 -","4","1","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.0634","0.0513","","","0.1223","0.1309","","","","","","1.048","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088135","14.4185","0.0008","6.7033","0.0004","24.6686","0.0014","90","","95.862","0.001","90","","2371.8","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 B2 F8 N5 Pd -","- C21 H19 B2 F8 N5 Pd -","- C84 H76 B8 F32 N20 Pd4 -","4","1","","Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K.","Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors","Organometallics","2015","34","23","5509","","10.1021/acs.organomet.5b00872","","","0.71073","MoKα","","0.0552","0.0521","","","0.1347","0.1362","","","","","","1.219","","","","has coordinates","237303","2020-10-21","18:00:00",""
"4088145","20.8625","0.0008","44.3655","0.0016","8.2014","0.0003","90","","90","","90","","7591","0.5","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H52 Ge O -","- C48 H52 Ge O -","- C384 H416 Ge8 O8 -","8","0.5","","Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species","Organometallics","2015","34","24","5785","","10.1021/acs.organomet.5b00884","","","1.54178","CuKα","","0.032","0.031","","","0.0782","0.0788","","","","","","1.047","","","","has coordinates,has disorder","237314","2020-10-21","18:00:00",""
"4088146","10.1377","0.0003","22.491","0.0007","17.3893","0.0005","90","","98.2477","0.0009","90","","3923.9","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48.82 H53.64 Ge O -","- C48.82 H53.64 Ge O -","- C195.28 H214.56 Ge4 O4 -","4","1","","Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species","Organometallics","2015","34","24","5785","","10.1021/acs.organomet.5b00884","","","1.54178","CuKα","","0.0365","0.0361","","","0.0935","0.0939","","","","","","1.099","","","","has coordinates,has disorder","237314","2020-10-21","18:00:00",""
"4088147","10.2893","0.0004","22.5948","0.0008","8.7294","0.0003","90","","99.7123","0.0011","90","","2000.36","0.13","90","2","90","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H52 O2 Sn2 -","- C48 H52 O2 Sn2 -","- C96 H104 O4 Sn4 -","2","0.25","","Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species","Organometallics","2015","34","24","5785","","10.1021/acs.organomet.5b00884","","","1.54178","CuKα","","0.0301","0.03","","","0.0815","0.0817","","","","","","1.038","","","","has coordinates","237314","2020-10-21","18:00:00",""
"4088148","12.124","0.003","13.776","0.003","14.156","0.003","90","","112.384","0.002","90","","2186.2","0.9","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 O2 Sn2 -","- C50 H56 O2 Sn2 -","- C100 H112 O4 Sn4 -","2","0.5","","Erickson, Jeremy D.; Vasko, Petra; Riparetti, Ryan D.; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different Reaction Pathways for Alkyl- and Aryl-Substituted Species","Organometallics","2015","34","24","5785","","10.1021/acs.organomet.5b00884","","","0.71073","MoKα","","0.0192","0.018","","","0.0446","0.0456","","","","","","1.101","","","","has coordinates","237314","2020-10-21","18:00:00",""
"4088149","10.4133","0.0004","11.9484","0.0005","18.3165","0.0009","104.187","0.002","95.648","0.001","95.17","0.002","2183.28","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H23 B F15 P Si -","- C43 H23 B F15 P Si -","- C86 H46 B2 F30 P2 Si2 -","2","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","0.71073","MoKα","","0.092","0.0735","","","0.1833","0.1957","","","","","","1.061","","","","has coordinates,has disorder","237316","2020-10-21","18:00:00",""
"4088150","11.2041","0.0004","12.3549","0.0003","18.8061","0.0006","98.261","0.002","95.506","0.002","103.061","0.001","2487.22","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H35 B F15 P Si -","- C49 H35 B F15 P Si -","- C98 H70 B2 F30 P2 Si2 -","2","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","1.54178","CuKα","","0.0527","0.0445","","","0.1194","0.1247","","","","","","1.059","","","","has coordinates","237316","2020-10-21","18:00:00",""
"4088151","29.7467","0.0007","16.9992","0.0006","24.349","0.0007","90","","121.784","0.002","90","","10466.2","0.6","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 B F15 N O P Si -","- C49 H35 B F15 N O P Si -","- C392 H280 B8 F120 N8 O8 P8 Si8 -","8","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","1.54178","CuKα","","0.0873","0.0597","","","0.1598","0.1752","","","","","","1.093","","","","has coordinates","237316","2020-10-21","18:00:00",""
"4088152","30.7946","0.0005","17.3685","0.0003","19.8227","0.0003","90","","90","","90","","10602.3","0.3","223","2","223","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C55 H42 B F15 N O P Si -","- C55 H42 B F15 N O P Si -","- C440 H336 B8 F120 N8 O8 P8 Si8 -","8","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","1.54178","CuKα","","0.1045","0.0596","","","0.1479","0.1715","","","","","","1.092","","","","has coordinates","237316","2020-10-21","18:00:00",""
"4088153","11.7505","0.0004","12.4955","0.0005","21.01","0.0012","102.451","0.003","92.353","0.003","110.29","0.002","2802.7","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H50 B F15 N O P Si -","- C63 H50 B F15 N O P Si -","- C126 H100 B2 F30 N2 O2 P2 Si2 -","2","1","","Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard","FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route","Organometallics","2015","35","1","55","","10.1021/acs.organomet.5b00886","","","0.71073","MoKα","","0.0937","0.0634","","","0.1346","0.155","","","","","","1.078","","","","has coordinates,has disorder","237316","2020-10-21","18:00:00",""
"4088186","8.7699","0.0007","17.3782","0.0014","19.3542","0.0014","90","","94.23","0.004","90","","2941.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 F6 Fe2 P -","- C29 H43 F6 Fe2 P -","- C116 H172 F24 Fe8 P4 -","4","1","","Schwartz, Andrew J.; Pike, Robert D.; Herber, Rolfe H.; Watson, Eric J.","Syntheses, Structures, and Mössbauer Effect Spectroscopy of Triple-Decker Complexes Incorporating Nonamethylferrocene","Organometallics","2015","35","1","62","","10.1021/acs.organomet.5b00913","","","1.54178","CuKα","","0.0478","0.0407","","","0.1028","0.1084","","","","","","1.02","","","","has coordinates,has disorder","237349","2020-10-21","18:00:00",""
"4088187","9.3027","0.0002","27.37","0.0007","9.8177","0.0003","90","","100.74","0.001","90","","2455.94","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 F6 Fe P Ru -","- C24 H33 F6 Fe P Ru -","- C96 H132 F24 Fe4 P4 Ru4 -","4","1","","Schwartz, Andrew J.; Pike, Robert D.; Herber, Rolfe H.; Watson, Eric J.","Syntheses, Structures, and Mössbauer Effect Spectroscopy of Triple-Decker Complexes Incorporating Nonamethylferrocene","Organometallics","2015","35","1","62","","10.1021/acs.organomet.5b00913","","","1.54178","CuKα","","0.0359","0.035","","","0.081","0.0814","","","","","","1.193","","","","has coordinates,has disorder","237349","2020-10-21","18:00:00",""
"4088188","10.7625","0.0004","23.1021","0.0012","13.2175","0.0006","90","","94.173","0.002","90","","3277.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cl2 F6 Fe P Ru -","- C30 H45 Cl2 F6 Fe P Ru -","- C120 H180 Cl8 F24 Fe4 P4 Ru4 -","4","1","","Schwartz, Andrew J.; Pike, Robert D.; Herber, Rolfe H.; Watson, Eric J.","Syntheses, Structures, and Mössbauer Effect Spectroscopy of Triple-Decker Complexes Incorporating Nonamethylferrocene","Organometallics","2015","35","1","62","","10.1021/acs.organomet.5b00913","","","1.54178","CuKα","","0.0584","0.0437","","","0.1085","0.1181","","","","","","1.086","","","","has coordinates,has disorder","237349","2020-10-21","18:00:00",""
"4088192","12.037","0.009","12.849","0.01","14.281","0.01","77.179","0.018","71.935","0.017","66.434","0.018","1913","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 B2 Cl4 F8 Ir N6 -","- C28 H37 B2 Cl4 F8 Ir N6 -","- C56 H74 B4 Cl8 F16 Ir2 N12 -","2","1","","He, Fan; Danopoulos, Andreas A.; Braunstein, Pierre","Trifunctional pNHC, Imine, Pyridine Pincer-Type Iridium(III) Complexes: Synthetic, Structural, and Reactivity Studies","Organometallics","2015","35","2","198","","10.1021/acs.organomet.5b00926","","","0.71073","MoKα","","0.0485","0.0401","","","0.1119","0.1176","","","","","","1.061","","","","has coordinates,has disorder","237356","2020-10-21","18:00:00",""
"4088193","18.463","0.0006","8.4248","0.0003","24.8389","0.0007","90","","127.008","0.002","90","","3085.3","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B Cl3 F4 Ir N5 -","- C25 H32 B Cl3 F4 Ir N5 -","- C100 H128 B4 Cl12 F16 Ir4 N20 -","4","1","","He, Fan; Danopoulos, Andreas A.; Braunstein, Pierre","Trifunctional pNHC, Imine, Pyridine Pincer-Type Iridium(III) Complexes: Synthetic, Structural, and Reactivity Studies","Organometallics","2015","35","2","198","","10.1021/acs.organomet.5b00926","","","0.71073","MoKα","","0.0474","0.0364","","","0.0691","0.0716","","","","","","1.187","","","","has coordinates","237356","2020-10-21","18:00:00",""
"4088194","12.3805","0.0005","14.7768","0.0006","14.8245","0.0006","79.602","0.001","69.566","0.001","71.704","0.001","2405.25","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H66 B2 Cl8 F32 Ir2 N10 -","- C88 H66 B2 Cl8 F32 Ir2 N10 -","- C88 H66 B2 Cl8 F32 Ir2 N10 -","1","0.5","","He, Fan; Danopoulos, Andreas A.; Braunstein, Pierre","Trifunctional pNHC, Imine, Pyridine Pincer-Type Iridium(III) Complexes: Synthetic, Structural, and Reactivity Studies","Organometallics","2015","35","2","198","","10.1021/acs.organomet.5b00926","","","0.71073","MoKα","","0.0355","0.0268","","","0.0548","0.0599","","","","","","1.131","","","","has coordinates","237356","2020-10-21","18:00:00",""
"4088195","9.234","0.005","12.118","0.005","18.115","0.005","93.175","0.005","93.492","0.005","93.73","0.005","2015.4","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H50 B Cl3 F4 Ir N4 P -","- C32 H50 B Cl3 F4 Ir N4 P -","- C64 H100 B2 Cl6 F8 Ir2 N8 P2 -","2","1","","He, Fan; Danopoulos, Andreas A.; Braunstein, Pierre","Trifunctional pNHC, Imine, Pyridine Pincer-Type Iridium(III) Complexes: Synthetic, Structural, and Reactivity Studies","Organometallics","2015","35","2","198","","10.1021/acs.organomet.5b00926","","","0.71073","MoKα","","0.0423","0.0319","","","0.0743","0.0774","","","","","","1.024","","","","has coordinates","237356","2020-10-21","18:00:00",""
"4088242","16.548","0.003","12.335","0.003","34.058","0.007","90","","90","","90","","6952","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Li Lu O Si2 -","- C36 H46 Li Lu O Si2 -","- C288 H368 Li8 Lu8 O8 Si16 -","8","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.71073","MoKα","","0.0953","0.0799","","","0.1179","0.1238","","","","","","1.262","","","","has coordinates","237406","2020-10-21","18:00:00",""
"4088243","10.8541","0.0002","22.2946","0.0005","20.2234","0.0005","90","","92.455","0.002","90","","4889.32","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Li Lu O8 Si2 -","- C48 H70 Li Lu O8 Si2 -","- C192 H280 Li4 Lu4 O32 Si8 -","4","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.71073","MoKα","","0.0362","0.0273","","","0.0531","0.057","","","","","","1.037","","","","has coordinates","237406","2020-10-21","18:00:00",""
"4088244","18.3346","0.0007","11.0051","0.0003","26.0334","0.001","90","","92.262","0.003","90","","5248.8","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H70 K Lu O6 Si2 -","- C51 H70 K Lu O6 Si2 -","- C204 H280 K4 Lu4 O24 Si8 -","4","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.7107","MoKα","","0.0528","0.0323","","","0.0588","0.068","","","","","","1.079","","","","has coordinates","237406","2020-10-21","18:00:00",""
"4088245","11.1023","0.0002","18.3997","0.0005","25.5155","0.0007","90","","94.299","0.002","90","","5197.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 K Lu N2 O6 Si2 -","- C50 H74 K Lu N2 O6 Si2 -","- C200 H296 K4 Lu4 N8 O24 Si8 -","4","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.71073","MoKα","","0.0605","0.0404","","","0.0759","0.0925","","","","","","1.066","","","","has coordinates,has disorder","237406","2020-10-21","18:00:00",""
"4088267","11.8068","0.0013","15.4203","0.0016","21.207","0.002","83.216","0.002","75.227","0.002","73.672","0.002","3578.3","0.6","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H75 Ag2 B F10 N9 P -","- C74 H75 Ag2 B F10 N9 P -","- C148 H150 Ag4 B2 F20 N18 P2 -","2","1","","Wang, Chun-Xiang; Gao, Yang; Deng, Yu-Xin; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Photochemical Modification of Carbene-Based Metallacycles: A Facile Route to Polycarbene Complexes and Their Derivatives","Organometallics","2015","34","24","5801","","10.1021/acs.organomet.5b00977","","","0.71073","MoKα","","0.134","0.0779","","","0.2255","0.285","","","","","","0.962","","","","has coordinates,has disorder","237425","2020-10-21","18:00:00",""
"4088268","11.0245","0.0004","12.2969","0.0006","15.1731","0.0006","79.298","0.004","72.394","0.003","65.183","0.004","1775.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H66 F24 N10 P4 -","- C64 H60 F12 N8 P2 -","- C64 H60 F12 N8 P2 -","1","0.5","","Wang, Chun-Xiang; Gao, Yang; Deng, Yu-Xin; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin","Photochemical Modification of Carbene-Based Metallacycles: A Facile Route to Polycarbene Complexes and Their Derivatives","Organometallics","2015","34","24","5801","","10.1021/acs.organomet.5b00977","","","1.54184","CuKα","","0.096","0.0772","","","0.2201","0.2378","","","","","","1.103","","","","has coordinates","237427","2020-10-21","18:00:00",""
"4089704","14.3205","0.0006","29.0307","0.0013","19.0815","0.0009","90","","109.652","0.001","90","","7470.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H102 Cl2 N4 O4 Zr2 -","- C76 H102 Cl2 N4 O4 Zr2 -","- C304 H408 Cl8 N16 O16 Zr8 -","4","0.5","","Romain, Charles; Specklin, David; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Unusual Benzyl Migration Reactivity in NHC-Bearing Group 4 Metal Chelates: Synthesis, Characterization, and Mechanistic Investigations","Organometallics","2015","34","20","4854","","10.1021/om501143t","","","0.71073","MoKα","","0.076","0.0614","","","0.1488","0.1675","","","","","","1.141","","","","has coordinates,has disorder","243724","2020-10-21","18:00:00",""
"4089705","16.1136","0.0004","10.8736","0.0002","26.8397","0.0006","90","","119.189","0.001","90","","4105.5","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 Cl N2 O3 Ti -","- C42 H59 Cl N2 O3 Ti -","- C168 H236 Cl4 N8 O12 Ti4 -","4","1","","Romain, Charles; Specklin, David; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Unusual Benzyl Migration Reactivity in NHC-Bearing Group 4 Metal Chelates: Synthesis, Characterization, and Mechanistic Investigations","Organometallics","2015","34","20","4854","","10.1021/om501143t","","","0.71073","MoKα","","0.0857","0.0645","","","0.1785","0.1973","","","","","","1.061","","","","has coordinates,has disorder","243724","2020-10-21","18:00:00",""
"4089706","14.0882","0.0004","18.3791","0.0004","21.4889","0.0005","90","","126.487","0.001","90","","4473.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 N2 O3 Ti -","- C49 H66 N2 O3 Ti -","- C196 H264 N8 O12 Ti4 -","4","1","","Romain, Charles; Specklin, David; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Unusual Benzyl Migration Reactivity in NHC-Bearing Group 4 Metal Chelates: Synthesis, Characterization, and Mechanistic Investigations","Organometallics","2015","34","20","4854","","10.1021/om501143t","","","0.71073","MoKα","","0.1101","0.0843","","","0.2222","0.2478","","","","","","1.064","","","","has coordinates,has disorder","243724","2020-10-21","18:00:00",""
"4089707","27.9849","0.0015","12.9449","0.0007","7.9074","0.0005","90","","90","","90","","2864.5","0.3","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H28 Cl4 I3 N5 Pd -","- C20 H28 Cl4 I3 N5 Pd -","- C80 H112 Cl16 I12 N20 Pd4 -","4","0.5","","Desai, Sai Puneet; Mondal, Moumita; Choudhury, Joyanta","Chelating Bis-N-heterocyclic Carbene‒Palladium(II) Complexes for Oxidative Arene C‒H Functionalization","Organometallics","2015","34","12","2731","","10.1021/om501163m","","","0.71073","MoKα","","0.1023","0.0733","","","0.1534","0.1645","","","","","","1.131","","","","has coordinates","243725","2020-10-21","18:00:00",""
"4089708","8.6882","0.0007","9.4594","0.001","14.0734","0.0011","84.785","0.004","74.798","0.003","62.911","0.002","993.16","0.15","131","2","131","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 I2 N4 O Pd -","- C16 H18 I2 N4 O Pd -","- C32 H36 I4 N8 O2 Pd2 -","2","1","","Desai, Sai Puneet; Mondal, Moumita; Choudhury, Joyanta","Chelating Bis-N-heterocyclic Carbene‒Palladium(II) Complexes for Oxidative Arene C‒H Functionalization","Organometallics","2015","34","12","2731","","10.1021/om501163m","","","0.71073","MoKα","","0.0329","0.025","","","0.0575","0.0596","","","","","","1.023","","","","has coordinates","243725","2020-10-21","18:00:00",""
"4123091","6.8511","0.0005","11.9553","0.0009","16.4478","0.0012","90","","90","","90","","1347.19","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0365","0.0364","","","0.0894","0.0895","","","","","","1.126","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123092","5.5979","0.0006","11.4138","0.0013","23.919","0.003","90","","90","","90","","1528.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0284","0.028","","","0.0854","0.0876","","","","","","2.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123135","23.663","0.002","6.7979","0.0007","17.5827","0.0018","90","","126.791","0.001","90","","2265","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C104 H108 N12 O8 Pd4 -","4","0.5","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0713","0.0726","","","","","","1.07","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123136","8.0734","0.0018","13.099","0.003","16.194","0.004","90","","101.739","0.004","90","","1676.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 Pd -","- C19 H15 N3 O2 Pd -","- C76 H60 N12 O8 Pd4 -","4","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1253","0.086","","","0.2049","0.2247","","","","","","1.075","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123137","7.315","0.003","12.298","0.005","12.636","0.005","86.709","0.007","78.617","0.007","84.082","0.007","1107.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C52 H54 N6 O4 Pd2 -","2","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1533","0.0967","","","0.1974","0.2263","","","","","","1.124","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123161","14.9753","0.0004","28.8596","0.0007","14.1361","0.0004","90","","111.71","0.002","90","","5676","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3Ph2)(CH2C6H5)","","","- C204 H34 La4 N6 -","- C204 H34 La3.9996 N6 -","- C408 H68 La7.9992 N12 -","2","0.5","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.1857","0.0578","","","0.1263","0.1802","","","","","","0.993","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123162","23.242","0.011","10.988","0.005","22.219","0.01","90","","112.174","0.005","90","","5255","4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2@D5h-C80(C3N3(C6H5)2)","","","- C96.5 H10 La2 N3 S3 -","- C96.5 H10 La2 N3 S3 -","- C386 H40 La8 N12 S12 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2144","0.1652","","","0.3419","0.368","","","","","","1.176","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123163","22.0705","0.0016","10.9858","0.0008","22.3824","0.0017","90","","114.202","0.004","90","","4949.9","0.7","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3(C6H5)2)","","","- C96 H10 La2 N3 S2 -","- C96 H10 La2.001 N3 S2 -","- C384 H40 La8.004 N12 S8 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2014","0.1638","","","0.384","0.4044","","","","","","1.171","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123164","16.0926","0.0011","24.5141","0.0017","13.7704","0.0009","90","","90.5195","0.0009","90","","5432.1","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K La N2 O7 Si3 -","- C46 H83 K La N2 O7 Si3 -","- C184 H332 K4 La4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.043","0.0387","","","0.0991","0.1016","","","","","","1.133","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123165","16.0225","0.0007","24.4424","0.0011","13.7664","0.0006","90","","90.768","0.001","90","","5390.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Ce K N2 O7 Si3 -","- C46 H83 Ce K N2 O7 Si3 -","- C184 H332 Ce4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0283","0.0225","","","0.0513","0.0538","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123166","15.9857","0.0005","24.4019","0.0008","13.7617","0.0005","90","","90.8314","0.0004","90","","5367.6","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 Nd O7 Si3 -","- C46 H83 K N2 Nd O7 Si3 -","- C184 H332 K4 N8 Nd4 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0257","0.0217","","","0.0529","0.0548","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123167","8.2638","0.0005","22.1867","0.0013","28.8754","0.0017","90","","90","","90","","5294.2","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0288","0.0192","","","0.0394","0.043","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123168","16.0764","0.0007","24.4921","0.001","13.753","0.0006","90","","90.6567","0.0005","90","","5414.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Sm -","- C46 H83 K N2 O7 Si3 Sm -","- C184 H332 K4 N8 O28 Si12 Sm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0447","0.0415","","","0.0998","0.1013","","","","","","1.239","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123169","8.261","0.0005","22.2572","0.0014","28.8301","0.0018","90","","90","","90","","5300.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Eu Si3 -","- C24 H39 Eu Si3 -","- C192 H312 Eu8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0292","0.0216","","","0.0522","0.0577","","","","","","1.086","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123170","16.0907","0.0009","24.5108","0.0014","13.776","0.0008","90","","90.759","0.0006","90","","5432.7","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Eu K N2 O7 Si3 -","- C46 H83 Eu K N2 O7 Si3 -","- C184 H332 Eu4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0351","0.0307","","","0.0826","0.0856","","","","","","1.049","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123171","8.2129","0.0005","22.2848","0.0014","28.7133","0.0018","90","","90","","90","","5255.2","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Dy Si3 -","- C24 H39 Dy Si3 -","- C192 H312 Dy8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0264","0.0202","","","0.0457","0.0484","","","","","","1.055","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123172","15.91","0.004","24.356","0.006","13.764","0.004","90","","91.137","0.003","90","","5333","2","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Dy K N2 O7 Si3 -","- C46 H83 Dy K N2 O7 Si3 -","- C184 H332 Dy4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0523","0.0444","","","0.1157","0.1244","","","","","","1.053","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123173","8.2012","0.0003","22.4085","0.0008","28.6584","0.001","90","","90","","90","","5266.7","0.3","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tm -","- C24 H39 Si3 Tm -","- C192 H312 Si24 Tm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0313","0.0205","","","0.0423","0.0457","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123174","15.9496","0.0008","24.3143","0.0013","13.8072","0.0007","90","","91.0773","0.0006","90","","5353.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Tm -","- C46 H83 K N2 O7 Si3 Tm -","- C184 H332 K4 N8 O28 Si12 Tm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0366","0.0306","","","0.0808","0.0843","","","","","","1.036","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123175","8.1548","0.0008","22.333","0.002","28.58","0.003","90","","90","","90","","5205","0.9","138","2","138","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Yb -","- C24 H39 Si3 Yb -","- C192 H312 Si24 Yb8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0263","0.0211","","","0.0487","0.051","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123176","15.9471","0.0005","24.2284","0.0008","13.8243","0.0005","90","","91.1563","0.0004","90","","5340.2","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Yb -","- C46 H83 K N2 O7 Si3 Yb -","- C184 H332 K4 N8 O28 Si12 Yb4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0193","0.0172","","","0.0411","0.0419","","","","","","1.026","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123177","8.9223","0.0008","9.9063","0.0008","12.6748","0.0011","103.826","0.004","90.574","0.005","112.147","0.004","1001.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O4 Rh2 -","- C20 H30 O4 Rh2 -","- C40 H60 O8 Rh4 -","2","1","","Filloux, Claire M.; Rovis, Tomislav","Rh(I)-Bisphosphine-Catalyzed Asymmetric, Intermolecular Hydroheteroarylation of α-Substituted Acrylate Derivatives.","Journal of the American Chemical Society","2015","137","1","508","517","10.1021/ja511445x","","","0.71073","MoKα","","0.0604","0.0324","","","0.0722","0.0909","","","","","","1.088","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123178","6.5597","0.0008","11.5373","0.0015","12.7944","0.0016","115.698","0.002","94.737","0.003","90.161","0.003","868.74","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","2","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0472","0.04","","","0.1058","0.1137","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123179","7.5022","0.0007","11.7006","0.0011","10.0035","0.0009","90","","90.536","0.003","90","","878.07","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0374","0.0327","","","0.092","0.0962","","","","","","1.094","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123180","17.0141","0.0003","6.5808","0.0001","22.6057","0.0005","90","","112.034","0.001","90","","2346.21","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 B2 N2 Si4 -","- C14 H44 B2 N2 Si4 -","- C56 H176 B8 N8 Si16 -","4","1","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0537","0.0392","","","0.1008","0.1088","","","","","","1.072","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123181","4.5761","0.0006","6.8112","0.0009","8.7189","0.0011","90","","91.261","0.003","90","","271.69","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 B2 N2 -","- C2 H12 B2 N2 -","- C4 H24 B4 N4 -","2","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0369","0.0348","","","0.1037","0.1065","","","","","","1.038","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123182","17.9656","0.0011","9.6793","0.0007","21.8956","0.0012","90","","91.748","0.003","90","","3805.8","0.4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F6 N2 O10 Pd -","- C36 H24 F6 N2 O10 Pd -","- C144 H96 F24 N8 O40 Pd4 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.1153","0.1089","","","0.2554","0.2578","","","","","","1.235","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123183","6.7034","0.0002","10.1139","0.0003","19.035","0.0005","87.503","0.002","82.219","0.002","76.286","0.001","1242.1","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.0624","0.0414","","","0.1115","0.127","","","","","","1.022","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123184","6.632","0.003","10.479","0.006","7.011","0.004","90","","111.286","0.017","90","","454","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F5 Fe -","- C10 H5 F5 Fe -","- C20 H10 F10 Fe2 -","2","0.5","","Sünkel, Karlheinz; Weigand, Stefan; Hoffmann, Alexander; Blomeyer, Sebastian; Reuter, Christian G.; Vishnevskiy, Yury V.; Mitzel, Norbert W.","Synthesis and characterization of 1,2,3,4,5-pentafluoroferrocene.","Journal of the American Chemical Society","2015","137","1","126","129","10.1021/ja511588p","","x-ray","0.71073","MoKα","","0.029","0.0252","","","0.0699","0.0714","","","","","","1.22","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123185","12.3182","0.0014","15.0702","0.0017","17.7888","0.0016","90","","107.495","0.01","90","","3149.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S4 -","- C29 H41 Al N2 S4 -","- C116 H164 Al4 N8 S16 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","1.54178","CuKα","","0.1019","0.0868","","","0.2316","0.2521","","","","","","1.028","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123186","25.9692","0.001","17.2638","0.001","33.7474","0.0012","90","","101.646","0.004","90","","14818.4","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 H194 Ag8 Al4 Ge0 N8 S8 -","- C136 H194 Ag8 Al4 N8 S8 -","- C544 H776 Ag32 Al16 N32 S32 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1724","0.0873","","","0.138","0.1694","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123187","15.1861","0.0009","15.6922","0.0011","14.0997","0.0008","90","","113.341","0.007","90","","3085","0.4","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 Cu4 N4 S4 -","- C58 H82 Al2 Cu4 N4 S4 -","- C116 H164 Al4 Cu8 N8 S8 -","2","0.5","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.0851","0.0524","","","0.0993","0.1098","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123188","15.559","0.0009","12.7408","0.0007","17.0791","0.001","90","","105.427","0.006","90","","3263.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S6 -","- C29 H41 Al N2 S6 -","- C116 H164 Al4 N8 S24 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1702","0.0861","","","0.1507","0.1812","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123189","25.3468","0.0006","25.3468","0.0006","25.3468","0.0006","90","","90","","90","","16284.3","0.7","110","2","110","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1023","0.0968","","","0.2618","0.2683","","","","","","1.005","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123190","38.4224","0.0012","38.4224","0.0012","38.4224","0.0012","90","","90","","90","","56722","3","110","2","110","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1625","0.1602","","","0.3489","0.3505","","","","","","1.004","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123191","11.5681","0.0004","12.5973","0.0004","13.5922","0.0005","90","","90","","90","","1980.75","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl O4 S -","- C21 H23 Cl O4 S -","- C84 H92 Cl4 O16 S4 -","4","1","","Goodman, C. Guy; Walker, Morgan M.; Johnson, Jeffrey S.","Enantioconvergent Synthesis of Functionalized γ-Butyrolactones via (3 + 2)-Annulation.","Journal of the American Chemical Society","2015","137","1","122","125","10.1021/ja511701j","","","1.54178","CuKα","","0.0281","0.0273","","","0.072","0.0725","","","","","","1.06","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123192","16.4623","0.0007","16.687","0.0007","21.9358","0.001","72.571","0.003","74.463","0.002","62.139","0.002","5024.1","0.4","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C248 H232 N8 O56 -","8","4","","Stone, Steven D.; Lajkiewicz, Neil J.; Whitesell, Luke; Hilmy, Ahmed; Porco, Jr, John A","Biomimetic kinetic resolution: highly enantio- and diastereoselective transfer hydrogenation of aglain ketones to access flavagline natural products.","Journal of the American Chemical Society","2015","137","1","525","530","10.1021/ja511728b","","","1.54178","CuKα","","0.0603","0.0552","","","0.1484","0.1537","","","","","","1.031","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123193","7.1984","0.0003","11.0786","0.0004","20.0022","0.0008","86.3176","0.0015","86.4171","0.0014","89.6638","0.0019","1588.73","0.11","150","","150","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H40 Cl I2 N7 -","- C26 H40 Cl I2 N7 -","- C52 H80 Cl2 I4 N14 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.71073","MoKα","","0.0732","0.0471","","0.136","0.1114","0.136","","","","","","0.9549","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123194","13.8599","0.0006","15.3852","0.0008","17.8614","0.0007","75.334","0.004","70.075","0.004","86.233","0.004","3463.2","0.3","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Cl I2 N9 O15 -","- C66 H74 Cl I2 N9 O15 -","- C132 H148 Cl2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0967","0.0722","","0.2079","0.1827","0.2079","","","","","","1.0532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123195","13.9754","0.0016","15.0529","0.0019","17.8496","0.0009","73.074","0.009","69.278","0.009","84.858","0.01","3359.6","0.7","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Br I2 N9 O15 -","- C66 H74 Br I2 N9 O15 -","- C132 H148 Br2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.148","0.1009","","0.3519","0.2635","0.3518","","","","","","1.0047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123196","13.857","0.0004","15.5217","0.0007","17.8913","0.0006","72.227","0.003","68.038","0.003","83.956","0.003","3398.4","0.2","100","","100","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C66 H74 I3 N9 O15 -","- C66 H74 I3 N9 O15 -","- C132 H148 I6 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0881","0.0615","","0.1519","0.1331","0.1519","","","","","","0.982","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123197","13.3432","0.0003","16.0601","0.0004","19.3748","0.0005","78.747","0.002","89.835","0.002","67.026","0.002","3736.71","0.17","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 S0.5 -","- C66 H74 I2 N9 O17 S0.5 -","- C132 H148 I4 N18 O34 S -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1007","0.0871","","0.2049","0.1908","0.2049","","","","","","0.9839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123198","13.3757","0.0004","16.0589","0.0006","19.4107","0.0007","78.599","0.003","89.672","0.003","66.939","0.003","3748.6","0.2","0","","100","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 P0.5 -","- C66 H74 I2 N9 O17 P0.5 -","- C132 H148 I4 N18 O34 P -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1033","0.0785","","0.3024","0.2329","0.3024","","","","","","0.8627","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123199","8.708","0.0003","9.9715","0.0003","10.5466","0.0003","66.505","0.002","89.64","0.002","71.054","0.002","786.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","1","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0395","0.0363","","","0.0896","0.0912","","","","","","0.932","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123200","6.4436","0.0004","15.2933","0.001","19.2668","0.0014","90","","90","","90","","1898.6","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1184","0.0582","","","0.098","0.1186","","","","","","0.982","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123201","6.2758","0.0004","28.5924","0.0019","7.9866","0.0005","90","","101.622","0.005","90","","1403.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1089","0.076","","","0.1877","0.2035","","","","","","1.122","","","","has coordinates","194000","2020-10-21","18:00:00",""
"4123202","9.8946","0.0007","13.0231","0.0009","27.7287","0.0019","90","","90","","90","","3573.1","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","2","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.043","0.0364","","","0.0882","0.0925","","","","","","1.03","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123203","19.636","0.0004","12.1674","0.0002","11.4299","0.0002","90","","119.202","0.003","90","","2383.75","0.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89 -","- C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889 -","- C72 H104 Cl8 N8 O32 Rh8 -","9","1.125","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54184","CuKα","","0.0209","0.0189","","0.0503","0.049","0.0501","","","","","","0.9942","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123204","11.9218","0.0014","12.1401","0.0014","17.385","0.002","96.097","0.004","93.726","0.005","113.041","0.005","2286.7","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H30 F21 N O8 P Rh S -","- C40 H30 F21 N O8 P Rh S -","- C80 H60 F42 N2 O16 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54178","CuKα","","0.0696","0.0637","","","0.1697","0.176","","","","","","1.026","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123205","8.483","0.0002","9.2698","0.0002","17.7426","0.0004","90","","92.575","0.001","90","","1393.79","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0411","0.0344","","","0.0829","0.0874","","","","","","1.035","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123206","9.8425","0.0002","11.6612","0.0002","18.2368","0.0004","89.224","0.001","85.156","0.001","76.978","0.001","2031.99","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H22 F21 N O7 P Rh S -","- C34 H22 F21 N O7 P Rh S -","- C68 H44 F42 N2 O14 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0512","0.0361","","","0.0778","0.0846","","","","","","1.021","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123207","9.4832","0.0002","22.4763","0.0004","7.2915","0.0001","90","","105.178","0.001","90","","1499.95","0.05","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 N2 O8 Rh2 -","- C28 H30 Cl2 N2 O8 Rh2 -","- C56 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0318","0.0233","","","0.0482","0.0511","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123208","12.8123","0.0004","6.8936","0.0002","19.3696","0.0006","90","","104.829","0.002","90","","1653.8","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C76 H84 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0709","0.063","","","0.1721","0.1891","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123209","7.1422","0.0001","10.1714","0.0002","23.7772","0.0004","90","","94.603","0.001","90","","1721.75","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H47 O9 -","- C39 H47 O9 -","- C78 H94 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0365","0.0361","","","0.1102","0.1112","","","","","","0.996","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123210","13.1534","0.0007","19.312","0.001","9.2366","0.0005","90","","90","","90","","2346.3","0.2","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C38 H84 N2 O Pt Sn2 -","- C38 H84 N2 O Pt Sn2 -","- C76 H168 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1062","0.1118","","","","","","1.08","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123211","13.6893","0.0006","15.7758","0.0007","19.1337","0.0008","90","","91.0532","0.0007","90","","4131.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N2 Pt Sn2 -","- C34 H72 N2 Pt Sn2 -","- C136 H288 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0491","0.0293","","","0.0552","0.0615","","","","","","1.015","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123212","12.5045","0.0003","21.612","0.0006","21.7113","0.0006","90","","99.923","0.001","90","","5779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H78 N2 Pt Sn2 -","- C49 H78 N2 Pt Sn2 -","- C196 H312 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0593","0.0387","","","0.135","0.1482","","","","","","1.105","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123213","12.8184","0.0005","20.1485","0.0008","14.4433","0.0006","90","","90","","90","","3730.3","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H60 N2 Pt Sn2 -","- C28 H60 N2 Pt Sn2 -","- C112 H240 N8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0439","0.0264","","","0.063","0.0763","","","","","","1.09","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123214","9.9845","0.0006","10.4305","0.0006","11.9205","0.0007","65.689","0.001","75.845","0.001","86.271","0.001","1096.11","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","1","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0398","0.0296","","","0.0684","0.0726","","","","","","1.054","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123215","13.2568","0.0006","18.3985","0.0008","24.2209","0.0011","90","","90","","90","","5907.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 N2 Pt Sn3 -","- C64 H64 N2 Pt Sn3 -","- C256 H256 N8 Pt4 Sn12 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0654","0.0487","","","0.1075","0.1146","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123216","22.0027","0.0012","22.0027","0.0012","24.3085","0.0013","90","","90","","120","","10191.6","1","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C64 H84 N2 Pt Sn2 -","- C64 H84 N2 Pt Sn2 -","- C384 H504 N12 Pt6 Sn12 -","6","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0815","0.0431","","","0.1245","0.1666","","","","","","1.165","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123217","13.9304","0.0009","19.0073","0.0013","9.4382","0.0006","90","","90","","90","","2499","0.3","293","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C35 H72 N2 O Pt Sn2 -","- C35 H72 N2 O Pt Sn2 -","- C70 H144 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0632","0.0442","","","0.1369","0.1507","","","","","","1.133","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123218","15.3248","0.0002","9.1981","0.0001","24.1611","0.0003","90","","98.2477","0.0006","90","","3370.5","0.07","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 O2 Pt Sn2 -","- C26 H54 O2 Pt Sn2 -","- C104 H216 O8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0521","0.0455","","","0.1165","0.1198","","","","","","1.199","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123219","18.425","0.005","27.789","0.007","26.139","0.007","90","","90","","90","","13383","6","103","2","103","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C154 H158 Cl3 N10 Ni2 -","- C154 H158 Cl3 N10 Ni2 -","- C616 H632 Cl12 N40 Ni8 -","4","0.5","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0645","0.0572","","","0.1465","0.1566","","","","","","1.07","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123220","21.2281","0.0007","30.8431","0.0008","60.989","0.002","92.043","0.001","97.37","0.001","97.475","0.003","39210","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C224 H196 N22 Ni4 -","- C224 H196 N22 Ni4 -","- C1344 H1176 N132 Ni24 -","6","3","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.8","","","0.248","0.0883","","","0.2149","0.2644","","","","","","0.639","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123221","17.296","0.004","22.701","0.005","35.704","0.007","90","","97.121","0.002","90","","13911","5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.57 H50 Cl18.28 N5 Ni -","- C60.57 H50 Cl18.28 N5 Ni -","- C484.56 H400 Cl146.24 N40 Ni8 -","8","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0915","0.0797","","","0.2311","0.2521","","","","","","1.077","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123222","28.301","0.007","13.754","0.003","29.505","0.008","90","","118.384","0.003","90","","10104","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H114 Cl2 N8 Ni2 -","- C124 H114 Cl2 N8 Ni2 -","- C496 H456 Cl8 N32 Ni8 -","4","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0699","0.0597","","","0.1402","0.1522","","","","","","1.076","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123223","21.617","0.004","20.506","0.004","17.509","0.003","90","","106.928","0.003","90","","7425","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H81 Fe2 Ni2 O P4 S4 -","- C87 H81 Fe2 Ni2 O P4 S4 -","- C348 H324 Fe8 Ni8 O4 P16 S16 -","4","1","","Gan, Lu; Groy, Thomas L.; Tarakeshwar, Pilarisetty; Mazinani, Shobeir K. S.; Shearer, Jason; Mujica, Vladimiro; Jones, Anne K.","A nickel phosphine complex as a fast and efficient hydrogen production catalyst.","Journal of the American Chemical Society","2015","137","3","1109","1115","10.1021/ja509779q","","","0.71073","MoKα","","0.0857","0.0472","","","0.0896","0.1046","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123224","11.082","0.006","17.774","0.009","19.16","0.01","90","","93.361","0.006","90","","3767","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C30 H58 N3 O Si4 Y -","- C30 H58 N3 O Si4 Y -","- C120 H232 N12 O4 Si16 Y4 -","4","1","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0534","0.0394","","","0.0873","0.0941","","","","","","1.061","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123225","30.617","0.008","17.608","0.005","21.674","0.006","90","","100.565","0.003","90","","11486","5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C31 H54 N4 Si4 Y -","- C31 H54 N4 Si4 Y -","- C372 H648 N48 Si48 Y12 -","12","3","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.1331","0.0767","","","0.1225","0.1451","","","","","","1.098","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123226","25.749","0.013","12.001","0.006","27.085","0.014","90","","90","","90","","8370","7","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","6","","","- C36 H58 N5 Si4 Y -","- C36 H58 N5 Si4 Y -","- C288 H464 N40 Si32 Y8 -","8","2","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0789","0.0554","","","0.1027","0.1159","","","","","","1.04","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123227","18.9377","0.0013","18.9377","0.0013","8.0529","0.0004","90","","90","","120","","2501.1","0.3","293","2","293","2","500000","","500000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1429","0.0655","","","0.1311","0.1554","","","","","","0.814","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123228","18.7342","0.0009","18.7342","0.0009","7.8979","0.0003","90","","90","","120","","2400.56","0.19","293","2","293","2","1200000","","1200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1071","0.0647","","","0.1482","0.1854","","","","","","0.976","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123229","18.822","0.002","18.822","0.002","7.9759","0.0006","90","","90","","120","","2447","0.4","293","2","293","2","700000","","700000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1186","0.0813","","","0.1876","0.2022","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123230","18.956","0.002","18.956","0.002","8.086","0.0008","90","","90","","120","","2516.3","0.5","293","2","293","2","200000","","200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1828","0.0622","","","0.1338","0.1663","","","","","","0.746","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123231","18.8821","0.0013","18.8821","0.0013","8.0281","0.0004","90","","90","","120","","2478.8","0.3","293","2","293","2","400000","","400000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1127","0.0767","","","0.1819","0.1982","","","","","","0.961","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123232","34.3584","0.0013","8.5376","0.0003","22.8054","0.0009","90","","99.322","0.004","90","","6601.3","0.4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 B F11 N8 P Rh -","- C28 H32 B F11 N8 P Rh -","- C224 H256 B8 F88 N64 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0458","0.0356","","","0.0785","0.083","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123233","25.9662","0.0012","10.66","0.002","21.452","0.0005","90","","101.455","0.003","90","","5819.6","1.1","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 B2 N6 O2 P Rh -","- C24 H44 B2 N6 O2 P Rh -","- C192 H352 B16 N48 O16 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0384","0.0307","","","0.066","0.0699","","","","","","1.049","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123234","10.8404","0.0007","11.5332","0.0009","13.5457","0.0011","65.602","0.008","72.784","0.007","65.226","0.007","1384.8","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H43 B N6 P Rh Si -","- C22 H43 B N6 P Rh Si -","- C44 H86 B2 N12 P2 Rh2 Si2 -","2","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.7107","MoKα","","0.0414","0.0329","","","0.0684","0.0736","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123235","24.358","0.003","8.0579","0.0009","11.2629","0.0013","90","","100.201","0.003","90","","2175.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","0.71073","MoKα","","0.0772","0.0581","","","0.1484","0.1615","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123236","9.2073","0.0005","8.4035","0.0004","12.6305","0.0007","90","","90.524","0.002","90","","977.23","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","1.54178","CuKα","","0.0518","0.0516","","","0.1349","0.1352","","","","","","1.074","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123237","20.323","0.0003","20.323","0.0003","31.8618","0.0009","90","","90","","120","","11396.6","0.4","173","2","173","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2 -","- C147 H114 Au19 Cl6 F6 N3 P6 Sb -","- C441 H342 Au57 Cl18 F18 N9 P18 Sb3 -","3","0.333333","","Wan, Xian-Kai; Tang, Qing; Yuan, Shang-Fu; Jiang, De-En; Wang, Quan-Ming","Au19 nanocluster featuring a v-shaped alkynyl-gold motif.","Journal of the American Chemical Society","2015","137","2","652","655","10.1021/ja512133a","","","0.71073","MoKα","","0.0384","0.0352","","","0.0896","0.0924","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123238","12.8259","0.0003","13.0175","0.0003","19.8317","0.0004","93.0486","0.0019","90.1923","0.0018","96.187","0.002","3287.04","0.13","150","","150","","","","101","","","","SYN","6","P -1","-P 1","2","","","","- C65 H68 B F24 P2 Rh -","- C65 H68 B F24 P2 Rh -","- C130 H136 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0815","0.0792","","0.2403","0.2399","0.2403","","","","","","1.0761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123239","19.0415","0.0001","17.9747","0.0002","19.5602","0.0001","90","","91.7586","0.0006","90","","6691.62","0.09","150","","150","","","","101","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0415","","0.1106","0.1017","0.1102","","","","","","0.9","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123240","18.2898","0.0002","13.0378","0.0001","26.3494","0.0002","90","","107.068","0.0009","90","","6006.52","0.1","150","","150","","","","101","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B F24 P2 Rh -","- C58 H60 B F24 P2 Rh -","- C232 H240 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0374","0.0329","","0.079","0.0744","0.0789","","","","","","0.9165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123241","36.6257","0.0004","12.8599","0.0001","24.181","0.0003","90","","100.088","0.0005","90","","11213.2","0.2","150","","150","","","","","","","","S10 Lab","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippe)NBD][BArF4]","","- C53 H52 B F24 P2 Rh -","- C53 H52 B F24 P2 Rh -","- C424 H416 B8 F192 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0717","0.0465","","0.1099","0.1003","0.1099","","","","","","0.9358","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123242","12.6227","0.0002","14.0591","0.0002","16.1221","0.0003","67.8471","0.0008","72.893","0.0007","68.3387","0.0008","2422.52","0.07","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippe)(h6-BArF4)","","- C46 H44 B F24 P2 Rh -","- C46 H44 B F24 P2 Rh -","- C92 H88 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0609","0.04","","0.0864","0.0794","0.0864","","","","","","0.9848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123243","17.8334","0.0005","17.5483","0.0004","55.0406","0.0015","90","","90.957","0.002","90","","17222.3","0.8","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippp)NBD][BArF4]","","- C54 H54 B F24 P2 Rh -","- C54 H54 B F24 P2 Rh -","- C648 H648 B12 F288 P24 Rh12 -","12","1.5","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1346","0.1033","","0.2996","0.2789","0.2993","","","","","","0.9834","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123244","12.9936","0.0004","13.0852","0.0004","16.0745","0.0005","109.669","0.003","96.825","0.003","91.997","0.002","2547.14","0.15","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippp)(h6-BArF4)","","- C47 H46 B F24 P2 Rh -","- C47 H46 B F24 P2 Rh -","- C94 H92 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0439","","0.1174","0.1137","0.1174","","","","","","0.9599","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123245","12.9021","0.0001","12.9021","0.0001","67.9669","0.001","90","","90","","90","","11314.1","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P 41 21 2","P 4abw 2nw","92","","[Rh(dippp)DCE][BArF4]","","- C49 H50 B Cl2 F24 P2 Rh -","- C49 H50 B Cl2 F23.9997 P2 Rh -","- C392 H400 B8 Cl16 F191.998 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1317","0.1153","","0.2697","0.26","0.2697","","","","","","1.1427","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123246","12.9279","0.0003","20.8343","0.0004","21.8302","0.0005","88.0127","0.001","86.0539","0.001","73.0587","0.001","5610.7","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P -1","-P 1","2","","Rh(dipope)(h6-BArF4)","","- C48.5 H50 B F24 O4 P2 Rh -","- C48.5 H50 B F24 O4 P2 Rh -","- C194 H200 B4 F96 O16 P8 Rh4 -","4","2","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.1026","0.0618","","0.1432","0.1255","0.1432","","","","","","0.9544","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123247","6.94","0.0005","32.943","0.002","7.1977","0.0006","90","","92.225","0.002","90","","1644.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0295","0.029","","","0.0747","0.0752","","","","","","1.05","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123248","6.9378","0.0007","18.7153","0.0019","9.65","0.001","90","","107.286","0.002","90","","1196.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0439","0.0413","","","0.1073","0.1095","","","","","","1.06","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123249","12.744","0.002","6.6351","0.0009","10.4218","0.0009","90","","90","","90","","881.2","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","0.5","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","0.71073","MoKα","","0.0692","0.0426","","","0.0994","0.1114","","","","","","1.021","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123250","7.5632","0.0004","6.7319","0.0003","20.566","0.002","90","","96.578","0.003","90","","1040.22","0.12","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B F4 N O -","- C9 H14 B F4 N O -","- C36 H56 B4 F16 N4 O4 -","4","1","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","1.54184","CuKα","","0.0465","0.0458","","","0.1234","0.1239","","","","","","1.183","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123251","20.0854","0.0014","20.0854","0.0014","8.3655","0.0006","90","","90","","90","","3374.8","0.4","173","2","173","2","","","","","","","","5","P -4","P -4","81","LCuTHF","","","- C35 H45 Cu N3 O3 -","- C35 H45 Cu N3 O3 -","- C140 H180 Cu4 N12 O12 -","4","1","","Dhar, Debanjan; Tolman, William B.","Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex.","Journal of the American Chemical Society","2015","137","3","1322","1329","10.1021/ja512014z","","","1.54178","CuKα","","0.1666","0.1053","","","0.2363","0.2759","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123252","14.428","0.009","14.478","0.009","17.101","0.011","90","","90","","90","","3572","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0755","0.0554","","","0.1101","0.1189","","","","","","1.068","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123253","13.9808","0.0005","14.997","0.0005","17.3046","0.0006","90","","90","","90","","3628.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0974","0.0641","","","0.1501","0.1628","","","","","","1.178","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123254","8.7932","0.0019","14.204","0.003","15.309","0.003","90","","94.193","0.005","90","","1907","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.08","0.0531","","","0.112","0.1246","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123255","8.115","0.002","10.156","0.003","13.49","0.004","93.432","0.003","98.034","0.004","102.618","0.005","1069.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cl3 N3 O2 Rh -","- C21 H19 Cl3 N3 O2 Rh -","- C42 H38 Cl6 N6 O4 Rh2 -","2","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0353","0.0297","","","0.0683","0.0709","","","","","","1.041","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123256","13.8557","0.0017","15.1778","0.0019","16.237","0.002","102.734","0.005","115.096","0.004","95.621","0.007","2944.5","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N4 O56 P12 Zn6 -","- C16 H14 N4 O56 P12 Zn6 -","- C32 H28 N8 O112 P24 Zn12 -","2","1","","Umeyama, Daiki; Horike, Satoshi; Inukai, Munehiro; Itakura, Tomoya; Kitagawa, Susumu","Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals.","Journal of the American Chemical Society","2015","137","2","864","870","10.1021/ja511019u","","","0.71075","MoKα","","0.0641","0.0455","","","0.1412","0.1524","","","","","","0.827","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123257","6.0522","0.0011","9.8966","0.0018","11.401","0.002","94.862","0.004","93.274","0.004","100.155","0.004","668","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N O P -","- C12 H24 N O P -","- C24 H48 N2 O2 P2 -","2","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0541","0.0507","","","0.1383","0.1421","","","","","","1.045","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123258","7.7635","0.0011","6.8938","0.0009","19.576","0.003","90","","101.058","0.002","90","","1028.3","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl O P -","- C8 H16 Cl O P -","- C32 H64 Cl4 O4 P4 -","4","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0393","0.0346","","","0.0941","0.098","","","","","","0.913","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123259","8.579","0.004","11.477","0.005","20.244","0.008","90","","93.167","0.006","90","","1990.2","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O2 Si2 -","- C18 H26 N2 O2 Si2 -","- C72 H104 N8 O8 Si8 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.7107","MoKα","","","0.064","","","","0.1596","","","","","","1.108","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123260","7.2051","0.0003","23.8974","0.0013","11.7957","0.0007","90","","92.966","0.007","90","","2028.3","0.18","150","2","150","2","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C38 H52 N4 Si4 -","- C38 H52 N4 Si4 -","- C76 H104 N8 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.4131","","","0.1677","0.0344","","","0.0708","0.185","","","","","","0.549","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123261","27.281","0.005","5.8289","0.0012","25.615","0.005","90","","97.56","0.03","90","","4037.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C248 H160 -","8","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1127","0.0873","","","0.2163","0.2288","","","","","","1.131","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123262","10.4301","0.0014","6.0297","0.0008","12.7142","0.0017","90","","108.918","0.001","90","","756.41","0.18","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0413","0.0399","","","0.106","0.1075","","","","","","1.056","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123263","9.4418","0.0011","14.1745","0.0017","15.4015","0.0018","73.98","0.002","78.801","0.002","80.315","0.002","1929","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.75 H18.5 Cl1.5 O -","- C24.75 H18.5 Cl1.5 O -","- C99 H74 Cl6 O4 -","4","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1199","0.0684","","","0.1671","0.191","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123264","10.2472","0.0009","10.9518","0.001","15.1137","0.0013","106.828","0.001","97.975","0.001","110.009","0.001","1471.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H41 F Sn -","- C35 H41 F Sn -","- C70 H82 F2 Sn2 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0209","0.0202","","","0.0527","0.0532","","","","","","1.047","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123265","7.344","0.003","23.638","0.01","16.023","0.007","90","","100.216","0.008","90","","2737","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N3 O3 -","- C36 H28 B N3 O3 -","- C144 H112 B4 N12 O12 -","4","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0683","0.0551","","","0.1485","0.1667","","","","","","1.022","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123266","10.0454","0.0019","12.488","0.003","15.612","0.002","71.341","0.014","74.45","0.03","83.5","0.03","1786.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 B N3 O -","- C48 H44 B N3 O -","- C96 H88 B2 N6 O2 -","2","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.051","0.0486","","","0.1292","0.1314","","","","","","1.007","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123267","32.25","0.012","7.178","0.004","23.146","0.008","90","","94.88","0.011","90","","5339","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H19 B Br3 N3 -","- C33 H19 B Br3 N3 -","- C264 H152 B8 Br24 N24 -","8","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.062","0.0579","","","0.1359","0.1381","","","","","","0.997","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123268","9.698","0.002","25.028","0.007","21.752","0.005","90","","98.422","0.005","90","","5223","2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H23 B Cl N3 -","- C33.5 H23 B Cl N3 -","- C268 H184 B8 Cl8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0642","0.0536","","","0.1354","0.1477","","","","","","1.044","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123269","9.667","0.003","25.121","0.008","21.748","0.007","90","","98.248","0.01","90","","5227","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B Cl F N3 -","- C33.5 H22 B Cl F N3 -","- C268 H176 B8 Cl8 F8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0892","0.0646","","","0.1609","0.1895","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123270","17.1956","0.0006","9.3276","0.0004","20.0103","0.0008","90","","90.755","0.003","90","","3209.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 O Si -","- C40 H38 O Si -","- C160 H152 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.54184","CuKα","","0.0735","0.0578","","","0.149","0.1636","","","","","","1.029","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123271","20.8238","0.0005","9.89673","0.00015","24.1698","0.0006","90","","112.597","0.003","90","","4598.7","0.2","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 N2 O Si -","- C49 H55 N2 O Si -","- C196 H220 N8 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.5418","CuKα","","0.0747","0.0621","","","0.1888","0.203","","","","","","1.052","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123272","5.1791","0.0005","5.7043","0.0006","6.8911","0.0007","108.669","0.003","109.922","0.002","90.332","0.003","179.82","0.03","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F6 Nb4 O4 -","2","1","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.037","0.0367","","","0.1097","0.11","","","","","","1.201","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123273","5.7048","0.0001","5.161","0.0001","12.2285","0.0002","90","","95.751","0.001","90","","358.225","0.011","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F12 Nb8 O8 -","4","0.5","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.0128","0.0121","","","0.034","0.0343","","","","","","1.24","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123274","13.372","0.002","4.1277","0.0004","15.072","0.002","90","","115.046","0.011","90","","753.68","0.18","400","2","400","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4.0002 Fe1.9998 Se8 -","- Bi8.0004 Fe3.9996 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0372","0.0372","","","0.0774","0.0774","","","","","","1.112","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123275","13.2972","0.0013","4.1037","0.0003","15.038","0.0014","90","","114.931","0.007","90","","744.12","0.12","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4 Fe2 Se8 -","- Bi8 Fe4 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0269","0.0268","","","0.0644","0.0644","","","","","","1.07","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123276","13.3533","0.0017","4.1171","0.0003","15.0687","0.0018","90","","115.037","0.009","90","","750.59","0.15","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi3.9996 Fe2.0004 Se8 -","- Bi7.9992 Fe4.0008 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0382","0.0382","","","0.086","0.086","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123277","8.33405","0.00008","11.10306","0.00009","27.9805","0.0003","90","","90","","90","","2589.13","0.04","99.9","0.2","99.9","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O3 S -","- C32 H29 N O3 S -","- C128 H116 N4 O12 S4 -","4","1","","Qian, Hui; Zhao, Wanxiang; Wang, Zhaobin; Sun, Jianwei","Organocatalytic enantio- and diastereoselective synthesis of 1,2-dihydronaphthalenes from isobenzopyrylium ions.","Journal of the American Chemical Society","2015","137","2","560","563","10.1021/ja509824j","","x-ray","1.5418","CuKα","","0.0246","0.024","","","0.0599","0.0604","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123278","7.1317","0.0003","16.5484","0.0007","33.672","0.0014","90","","90","","90","","3973.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 O4.5 -","- C24 H31 O4.5 -","- C192 H248 O36 -","8","2","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54174","CuKα","","0.0481","0.0429","","","0.1075","0.1109","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123279","9.5699","0.0006","6.8599","0.0004","14.411","0.0008","90","","101.48","0.003","90","","927.13","0.1","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C42 H64 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.046","0.0451","","","0.1193","0.1203","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123280","9.789","0.002","7.7354","0.0017","15.707","0.003","90","","107.521","0.003","90","","1134.2","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0506","0.0469","","","0.1148","0.1187","","","","","","1.125","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123281","9.284","","6.85","","14.331","","90","","100.67","","90","","895.628","","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54184","CuKα","","0.0396","0.0366","","","0.0869","0.0887","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123282","12.74","0.02","6.122","0.009","13.29","0.02","90","","92.06","0.02","90","","1036","3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0748","0.0693","","","0.1762","0.1835","","","","","","1.02","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123283","7.8008","0.0006","11.8602","0.0008","21.0411","0.0012","90","","90","","90","","1946.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl F O5 -","- C22 H27 Cl F O5 -","- C88 H108 Cl4 F4 O20 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0474","0.0457","","","0.1258","0.1276","","","","","","1.084","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123284","8.8935","0.0007","10.0417","0.0008","36.708","0.003","90","","90","","90","","3278.2","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 O7 -","- C40 H48 O7 -","- C160 H192 O28 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0406","0.037","","","0.0913","0.0933","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123285","5.8468","0.0002","9.0154","0.0003","29.9693","0.001","90","","90","","90","","1579.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.0312","0.0289","","","0.0689","0.0705","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123286","11.65611","0.00012","13.084","0.00014","32.0786","0.0003","90","","90","","90","","4892.26","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl Ir O2 P2 -","- C58 H54 Cl Ir O2 P2 -","- C232 H216 Cl4 Ir4 O8 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0352","0.0326","","","0.0802","0.0827","","","","","","1.062","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123287","8.09492","0.00015","16.2329","0.0004","16.8117","0.0003","90","","90","","90","","2209.13","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl Ir P -","- C26 H27 Cl Ir P -","- C104 H108 Cl4 Ir4 P4 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0313","0.0288","","","0.0513","0.0527","","","","","","1.012","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123288","13.0362","0.0003","25.6332","0.0004","17.1736","0.0003","90","","90.335","0.002","90","","5738.62","0.19","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 Ir2 O4 P4 -","- C58 H56 Cl6 Ir2 O4 P4 -","- C232 H224 Cl24 Ir8 O16 P16 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0495","0.0435","","","0.1096","0.1152","","","","","","1.027","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123289","9.13579","0.00017","9.5659","0.0002","10.284","0.0002","72.9196","0.0019","89.0425","0.0017","69.5115","0.0018","801.03","0.03","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","1","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0247","0.0246","","","0.0628","0.0628","","","","","","1.063","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123290","12.322","0.0002","15.223","0.0003","21.1066","0.0003","90","","90","","90","","3959.13","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H35 Cl4 Ir O P2 -","- C46 H35 Cl4 Ir O P2 -","- C184 H140 Cl16 Ir4 O4 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0268","0.024","","","0.0512","0.0523","","","","","","1.038","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123291","6.5518","0.0005","8.8908","0.0007","14.7525","0.0011","100.064","0.001","97.0692","0.001","91.4296","0.001","838.74","0.11","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 S -","- C20 H28 S -","- C40 H56 S2 -","2","1","","Müller, Daniel S; Untiedt, Nicholas L.; Dieskau, André P; Lackner, Gregory L.; Overman, Larry E.","Constructing Quaternary Stereogenic Centers Using Tertiary Organocuprates and Tertiary Radicals. Total Synthesis of trans-Clerodane Natural Products.","Journal of the American Chemical Society","2015","137","2","660","663","10.1021/ja512527s","","","0.71073","MoKα","","0.0417","0.0348","","","0.0866","0.0909","","","","","","1.025","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123292","10.668","0.0004","35.2141","0.0014","7.6499","0.0003","90","","94.455","0.002","90","","2865.11","0.19","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F6 N2 O7 S -","- C30 H24 F6 N2 O7 S -","- C120 H96 F24 N8 O28 S4 -","4","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","1.54178","CuKα","","0.0474","0.0432","","","0.0987","0.1017","","","","","","1.037","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123293","10.8859","0.0004","11.4845","0.0005","11.4884","0.0005","70.106","0.0018","71.073","0.002","89.5","0.0019","1269.17","0.09","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F6 N3 O5 -","- C27 H21 F6 N3 O5 -","- C54 H42 F12 N6 O10 -","2","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","0.71073","MoKα","","0.0647","0.0442","","","0.1164","0.1275","","","","","","0.864","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123294","10.3707","0.0004","5.1424","0.0002","19.9292","0.0008","90","","104.805","0.0014","90","","1027.54","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (2S,3S)-2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)-3-(3,5-difluorophenyl)propanoate","","- C21 H22 Cl F2 N O4 -","- C21 H22 Cl F2 N O4 -","- C42 H44 Cl2 F4 N2 O8 -","2","1","","Molinaro, Carmela; Scott, Jeremy P.; Shevlin, Michael; Wise, Christopher; Ménard, Alain; Gibb, Andrew; Junker, Ellyn M.; Lieberman, David","Catalytic, Asymmetric, and Stereodivergent Synthesis of Non-Symmetric β,β-Diaryl-α-Amino Acids.","Journal of the American Chemical Society","2015","137","2","999","1006","10.1021/ja511872a","","","1.54178","CuKα","","0.0591","0.0548","","","0.1411","0.1453","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123295","13.6451","0.001","20.7417","0.0011","21.987","0.0016","90","","91.886","0.002","90","","6219.4","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N6 O18 W -","- C132 H162 N6 O18 W -","- C264 H324 N12 O36 W2 -","2","0.5","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1964","0.0747","","","0.1263","0.1597","","","","","","1.016","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123296","13.4059","0.0005","17.0452","0.0006","17.3447","0.0006","62.0827","0.0014","82.602","0.0016","70.1845","0.0015","3292.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H87 N3 O6 W0.5 -","- C75 H87 N3 O6 W0.5 -","- C150 H174 N6 O12 W -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.0507","0.0464","","","0.1128","0.1173","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123297","14.456","0.003","18.045","0.003","18.803","0.004","85.655","0.006","87.973","0.006","81.028","0.005","4829.6","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H126 N6 W -","- C114 H126 N6 W -","- C228 H252 N12 W2 -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1583","0.0776","","","0.1152","0.1283","","","","","","1.35","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123298","44.228","0.01","13.454","0.003","46.847","0.01","90","","111.074","0.003","90","","26012","10","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C161 H168 N6 W -","- C161 H168 N6 W -","- C1288 H1344 N48 W8 -","8","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.143","0.0804","","","0.1411","0.1609","","","","","","1.104","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123299","12.751","0.005","29.14","0.005","17.008","0.005","90","0.005","93.406","0.005","90","0.005","6308","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","deb_2_145","","","- C60.5 H83 F12 K Mo N O6.25 -","- C60.442 H82.884 F12 K Mo N O6.279 -","- C241.768 H331.536 F48 K4 Mo4 N4 O25.116 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","0.71073","MoKα","","0.0512","0.0367","","","0.0818","0.0885","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123300","22.8625","0.0008","6.7348","0.0002","15.0755","0.0005","90","","97.153","0.002","90","","2303.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","deb_1_051","","","- C28 H36 O2 -","- C28 H36 O2 -","- C112 H144 O8 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","1.54178","CuKα","","0.0331","0.0292","","","0.0756","0.0779","","","","","","1.024","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123301","8.7984","0.0006","10.1655","0.0008","9.8954","0.0007","90","","90.989","0.002","90","","884.91","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","1.54178","CuKα","","0.039","0.0385","","","0.1086","0.1094","","","","","","1.066","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123302","12.418","0.003","12.418","0.003","25.856","0.005","90","","90","","120","","3453","1.4","106","2","106","2","","","","","","","","4","P 65","P 65","170","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C156 H198 N6 O18 -","6","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","0.71073","MoKα","","0.0683","0.0462","","","0.0868","0.0945","","","","","","1.034","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123303","9.0641","0.0007","8.8761","0.0005","42.95","0.003","90","","90","","90","","3455.5","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.1436","0.0765","","","0.1345","0.1619","","","","","","1.061","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123304","8.6543","0.0005","14.3664","0.001","10.7483","0.0007","90","","90.845","0.006","90","","1336.2","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","2","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.055","0.0427","","","0.0992","0.1081","","","","","","1.057","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123305","25.5439","0.0008","26.3802","0.0008","38.325","0.0013","90","","90","","90","","25825.4","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H92 F36 N12 P6 -","- C96 H92 F35.994 N12 P5.999 -","- C768 H736 F287.952 N96 P47.992 -","8","1","","Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; Goddard, 3rd, William A; Stoddart, J. Fraser","Folding of oligoviologens induced by radical-radical interactions.","Journal of the American Chemical Society","2015","137","2","876","885","10.1021/ja5111305","","","1.54178","CuKα","","0.1992","0.1047","","","0.3022","0.3286","","","","","","0.942","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123306","17.115","0.003","5.916","0.0012","16.611","0.004","90","","94.76","0.03","90","","1676.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1086","0.0534","","","0.1217","0.1464","","","","","","0.967","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123307","24.174","0.011","10.013","0.005","19.969","0.009","90","","100.132","0.019","90","","4758","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.0805","0.0592","","","0.1714","0.1875","","","","","","1.005","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123308","14.314","0.003","13.075","0.003","12.034","0.002","90","","109.95","0.03","90","","2117.1","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O5 -","- C25 H21 N3 O5 -","- C100 H84 N12 O20 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1039","0.0549","","","0.1217","0.1419","","","","","","1.018","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123309","4.63839","0.00002","4.63839","0.00002","16.83143","0.00014","90","","90","","120","","313.607","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au La Sb -","- Au La Sb -","- Au4 La4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","20.9","1.644","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123310","4.58003","","4.58003","","16.47753","","90","","90","","120","","299.336","","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Nd Sb -","- Au1.0001 Nd Sb1.0001 -","- Au4.0004 Nd4 Sb4.0004 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","7.68","1.805","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123311","4.61403","0.00002","4.61403","0.00002","16.6348","0.0001","90","","90","","120","","306.697","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ce Sb -","- Au Ce Sb -","- Au4 Ce4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","15.3","1.9","","","","","","","has coordinates","205567","2020-10-21","18:00:00",""
"4123312","19.94","0.004","44.376","0.009","28.779","0.006","90","","108.92","0.03","90","","24089","10","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C1104 H912 B24 Cl8 F96 N96 O36 Pd16 -","4","1","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","1","","","0.1457","0.0725","","","0.1877","0.2417","","","","","","1.007","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123313","22.065","0.004","22.065","0.004","33.491","0.005","90","","90","","90","","16306","5","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C354 H306 B8 F32 N24 O8 Pd4 -","- C354 H306 B8 F32 N24 O8 Pd4 -","- C708 H612 B16 F64 N48 O16 Pd8 -","2","","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","0.56086","AgKα","","0.1559","0.0857","","","0.2267","0.3066","","","","","","1.052","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123314","10.0503","0.0002","13.3666","0.0003","18.3455","0.0004","90","","90","","90","","2464.5","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 F4 N2 O3 P -","- C28 H21 F4 N2 O3 P -","- C112 H84 F16 N8 O12 P4 -","4","1","","Du, Zhi-Jun; Guan, Jing; Wu, Guo-Jie; Xu, Peng; Gao, Lian-Xun; Han, Fu-She","Pd(II)-Catalyzed Enantioselective Synthesis of P-Stereogenic Phosphinamides via Desymmetric C-H Arylation.","Journal of the American Chemical Society","2015","137","2","632","635","10.1021/ja512029x","","","1.54178","CuKα","","0.0374","0.0322","","","0.0715","0.0738","","","","","","1.051","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123315","8.8663","0.0004","11.0225","0.0004","11.7447","0.0004","94.958","0.003","96.264","0.003","108.345","0.004","1074.05","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 F3 N O -","- C27 H24 F3 N O -","- C54 H48 F6 N2 O2 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.5418","CuKα","","0.0685","0.0616","","","0.1658","0.1711","","","","","","1.041","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123316","15.87898","0.00018","10.13462","0.00011","25.6111","0.0003","90","","90","","90","","4121.53","0.08","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.12","0.1214","","","","","","1.09","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123317","25.00825","0.00019","9.119","0.0006","17.54725","0.00016","90","","110.511","0.0009","90","","3748","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O2 -","- C22 H22 Br N O2 -","- C176 H176 Br8 N8 O16 -","8","2","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0451","0.0413","","","0.1038","0.1069","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123318","9.7055","0.0002","10.7415","0.0003","12.9336","0.0003","67.332","0.002","77.291","0.002","77.32","0.002","1200.04","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl3 N O2 -","- C27 H24 Cl3 N O2 -","- C54 H48 Cl6 N2 O4 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0514","0.0412","","","0.0983","0.1063","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123319","14.4629","0.0002","11.06417","0.00013","12.43841","0.00016","90","","100.546","0.0014","90","","1956.77","0.04","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F3 N O -","- C25 H18 F3 N O -","- C100 H72 F12 N4 O4 -","4","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.54184","CuKα","","0.0668","0.0635","","","0.1786","0.1822","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123320","72.75","0.04","11.847","0.005","19.475","0.009","90","","104.59","0.05","90","","16244","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.12 H31.25 Cl4.25 N3 -","- C53.125 H31.25 Cl4.25 N3 -","- C850 H500 Cl68 N48 -","16","2","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","1.5418","CuKα","","0.3452","0.1988","","","0.3894","0.467","","","","","","1.304","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123321","17.754","0.006","19.033","0.007","19.752","0.007","88.7","0.03","89.12","0.03","62.52","0.04","5920","4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H35 Cl4 N3 -","- C49 H29.6667 Cl4 N3 -","- C294 H178 Cl24 N18 -","6","3","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","0.71073","MoKα","","0.1915","0.1293","","","0.3508","0.389","","","","","","1.074","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123322","13.372","0.003","29.829","0.008","26.681","0.007","90","","90","","90","","10642","5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H60 Cr O3 -","- C67 H60 Cr O3 -","- C536 H480 Cr8 O24 -","8","1","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.1622","0.1343","","","0.3042","0.3221","","","","","","1.271","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123323","8.186","0.003","21.052","0.009","30.938","0.013","90.588","0.009","92.396","0.008","90.067","0.009","5327","4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H60 O2 Si -","- C65 H60 O2 Si -","- C260 H240 O8 Si4 -","4","2","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.2297","0.1772","","","0.4452","0.4715","","","","","","1.675","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123324","13.3723","0.0006","14.617","0.0007","18.6235","0.0008","90","","90","","90","","3640.2","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Cu F12 N8 O5 P2 -","- C27 H42 Cu F12 N8 O5 P2 -","- C108 H168 Cu4 F48 N32 O20 P8 -","4","1","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.0645","0.0479","","","0.1341","0.1422","","","","","","1.049","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123325","7.335","0.005","13.809","0.005","15.409","0.005","67.237","0.005","79.517","0.005","76.142","0.005","1390.3","1.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","1","0.5","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.1315","0.0623","","","0.1243","0.1588","","","","","","1.125","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123326","11.879","0.003","13.183","0.003","13.847","0.004","105.017","0.004","93.698","0.004","90.313","0.003","2089.5","0.9","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cl2 I2 N4 Zn2 -","- C40 H40 Cl2 I2 N4 Zn2 -","- C80 H80 Cl4 I4 N8 Zn4 -","2","1","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.047","","","","0.1291","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123327","15.72","0.02","8.289","0.009","12.624","0.016","90","","128.585","0.015","90","","1286","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C40 H32 I8 N8 Zn4 -","4","0.5","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.0552","","","","0.1491","","","","","","1.234","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123328","7.096","0.001","10.382","0.0015","15.619","0.002","90","","90","","90","","1150.7","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Organocatalytic Enantioselective Formal C(sp(2))-H Alkylation.","Journal of the American Chemical Society","2015","137","1","130","133","10.1021/ja5117556","","","0.71073","MoKα","","0.0408","0.0387","","","0.0999","0.1016","","","","","","1.07","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123329","9.812","0.002","13.784","0.002","18.184","0.003","79.47","0.02","82.48","0.02","75.52","0.03","2331.7","0.8","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 Cl6 P Si2 -","- C15 H23 Cl6 P Si2 -","- C60 H92 Cl24 P4 Si8 -","4","2","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.0345","0.0274","","","0.0658","0.0697","","","","","","1.053","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123330","10.414","0.002","17.913","0.002","27.306","0.003","90","","90","","90","","5093.8","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Cl2 N2 P Si -","- C54 H71 Cl2 N2 P Si -","- C216 H284 Cl8 N8 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.042","0.0334","","","0.0696","0.0738","","","","","","1.071","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123331","17.079","0.002","18.335","0.002","24.196","0.003","90","","90","","90","","7576.8","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Cl2 N P Si -","- C38 H58 Cl2 N P Si -","- C304 H464 Cl16 N8 P8 Si8 -","8","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.079","0.0408","","","0.0765","0.0904","","","","","","1.004","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123332","14.001","0.002","15.439","0.004","17.768","0.005","90","","113.065","0.007","90","","3533.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N P Si -","- C35 H54 Cl2 N P Si -","- C140 H216 Cl8 N4 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.56086","AgKα","","0.0661","0.0389","","","0.0761","0.0854","","","","","","1.032","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123333","5.8876","0.0012","9.822","0.002","15.882","0.003","90","","90","","90","","918.4","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.0298","0.0259","","","0.0418","0.0427","","","","","","1.027","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123334","19.496","0.004","21.323","0.004","21.734","0.004","90","","90","","90","","9035","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B F24 Ir N O P -","- C94 H88 B F24 Ir N O P -","- C376 H352 B4 F96 Ir4 N4 O4 P4 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.1127","0.064","","","0.08","0.0908","","","","","","1.005","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4123335","16.7775","0.0012","16.7775","0.0012","15.184","0.003","90","","90","","120","","3701.4","0.8","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 N6 Ni3 O13 -","- C42 H24 N6 Ni3 O13 -","- C84 H48 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.04","0.0294","","","0.0662","0.0693","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123336","16.7427","0.0004","16.7427","0.0004","15.3279","0.0008","90","","90","","120","","3721","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N6 Ni3 O19 -","- C42 H18 N6 Ni3 O19 -","- C84 H36 N12 Ni6 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0747","0.052","","","0.1429","0.1514","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123337","16.7446","0.0006","16.7446","0.0006","15.1964","0.0009","90","","90","","120","","3690","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N9 Ni3 O13 -","- C42 H18 N9 Ni3 O13 -","- C84 H36 N18 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0718","0.0548","","","0.1554","0.1629","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123338","16.7342","0.0003","16.7342","0.0003","15.233","0.0005","90","","90","","120","","3694.25","0.15","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H24 N6 Ni3 O13 -","- C54 H24 N6 Ni3 O13 -","- C108 H48 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0715","0.0592","","","0.1762","0.184","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123339","16.6706","0.0002","16.6706","0.0002","20.9026","0.0004","90","","90","","120","","5030.76","0.13","174","2","174","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H30 N6 Ni3 O13 -","- C54 H30 N6 Ni3 O13 -","- C108 H60 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0497","0.0356","","","0.0885","0.0929","","","","","","0.941","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123340","16.6492","0.0015","16.6492","0.0015","25.836","0.003","90","","90","","120","","6202.2","1.1","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C60 H36 N6 Ni3 O13 -","- C60 H36 N6 Ni3 O13 -","- C120 H72 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.055","0.0355","","","0.0768","0.0817","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123341","20.6087","0.0002","20.6087","0.0002","22.7238","0.0005","90","","90","","120","","8358.2","0.2","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C66 H36 N6 Ni3 O16 -","- C66 H36 N6 Ni3 O16 -","- C132 H72 N12 Ni6 O32 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.1247","0.1058","","","0.3364","0.3604","","","","","","1.592","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123342","7.598","0.002","23.625","0.006","7.587","0.002","90","","90","","90","","1361.9","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0336","0.026","","","0.0614","0.0657","","","","","","1.045","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123343","7.5603","0.0015","23.571","0.005","7.5396","0.0015","90","","90","","90","","1343.6","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0275","0.0243","","","0.0601","0.065","","","","","","0.671","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123344","23.671","0.008","7.611","0.002","7.649","0.002","90","","90","","90","","1378","0.7","350","2","350","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0413","0.0308","","","0.0734","0.0919","","","","","","0.484","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123345","23.65","0.007","7.604","0.002","7.623","0.002","90","","90","","90","","1370.9","0.7","300","2","300","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0405","0.0302","","","0.0723","0.0793","","","","","","1.046","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123346","11.2764","0.0015","11.6829","0.0017","16.883","0.003","94.091","0.003","100.732","0.003","113.868","0.003","1971.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl Co N16 O4 -","- C36 H39 Cl Co N16 O4 -","- C72 H78 Cl2 Co2 N32 O8 -","2","1","","Schweinfurth, David; Sommer, Michael G.; Atanasov, Mihail; Demeshko, Serhiy; Hohloch, Stephan; Meyer, Franc; Neese, Frank; Sarkar, Biprajit","The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)-Azido Complex.","Journal of the American Chemical Society","2015","137","5","1993","2005","10.1021/ja512232f","","","0.71073","MoKα","","0.0789","0.0429","","","0.0953","0.1214","","","","","","1.002","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123347","19.3867","0.0007","19.3867","0.0007","20.8268","0.0015","90","","90","","120","","6778.9","0.6","100","2","100","","","","","","","","","6","P 61","P 61","169","","","","- C41.52 H38.08 Co2 N1.64 O12.35 S4 -","- C41.516 H38.077 Co2 N1.642 O12.348 S4 -","- C249.096 H228.462 Co12 N9.852 O74.088 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0416","0.0374","","","0.094","0.0973","","","","","","1.046","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4123348","19.6","0.003","19.6","0.003","20.76","0.003","90","","90","","120","","6906.7","1.8","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C42 H37 Cd2 N2 O13 S4 -","- C42 H37 Cd2 N2 O13 S4 -","- C252 H222 Cd12 N12 O78 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0453","0.0387","","","0.0916","0.0969","","","","","","1.048","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123349","19.469","0.0007","19.469","0.0007","20.6804","0.0008","90","","90","","120","","6788.5","0.4","100","2","100.01","","","","","","","","","6","P 65","P 65","170","","","","- C40.94 H37.3 Mn2 N1.76 O12.59 S4 -","- C41.013 H37.485 Mn2 N1.777 O12.618 S4 -","- C246.078 H224.91 Mn12 N10.662 O75.708 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0382","0.0313","","","0.0744","0.0782","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123350","8.5357","0.0004","12.1128","0.0006","16.2384","0.0008","90","","90","","90","","1678.91","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0284","0.0266","","","0.0678","0.0694","","","","","","1.04","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123351","13.71","0.006","8.846","0.004","27.091","0.011","90","","96.175","0.008","90","","3266","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0654","0.0579","","","0.1409","0.1435","","","","","","1.182","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123352","6.913","0.0016","12.285","0.003","9.22","0.002","90","","94.756","0.003","90","","780.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0288","0.0273","","","0.0656","0.0671","","","","","","1.022","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123353","22.2729","0.0008","22.2729","0.0008","22.2145","0.0007","90","","90","","90","","11020.2","0.7","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H156 Cl N4 O12 P5 -","- C120 H156 Cl N4 O12 P5 -","- C480 H624 Cl4 N16 O48 P20 -","4","0.25","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.2485","0.2212","","","0.5535","0.5606","","","","","","4.141","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123354","29.1112","0.0013","22.9424","0.001","32.0414","0.0012","90","","90","","90","","21399.8","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C120 H150 N6 O12 P4 -","- C120 H150 N6 O12 P4 -","- C960 H1200 N48 O96 P32 -","8","1","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.1404","0.0992","","","0.2579","0.2917","","","","","","1.06","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123355","9.94535","0.00018","10.8292","0.0002","24.7162","0.0005","90","","90","","90","","2661.94","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O5 -","- C32 H27 Br O5 -","- C128 H108 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0264","0.0253","","","0.063","0.0636","","","","","","1.079","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123356","20.7653","0.0004","6.6804","0.00012","18.6726","0.0003","90","","110.495","0.001","90","","2426.32","0.08","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H25 Br O5 -","- C28 H25 Br O5 -","- C112 H100 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0915","0.0409","","","0.0597","0.0918","","","","","","1.192","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123357","14.737","0.0016","27.527","0.003","15.2903","0.0017","90","","95.821","0.004","90","","6170.8","1.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O10 -","- C30.93 H32.48 Br N O10.25 -","- C247.44 H259.84 Br8 N8 O82 -","8","4","","Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker","Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.","Journal of the American Chemical Society","2015","137","4","1685","1691","10.1021/ja512573q","","","0.56086","AgKα","","0.0862","0.0629","","","0.1664","0.187","","","","","","1.07","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123358","11.998","0.002","14.851","0.003","12.524","0.003","90","","93.8","0.03","90","","2226.6","0.8","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","1","0.5","","Martínez-Calvo, Miguel; Kotova, Oxana; Möbius, Matthias E; Bell, Alan P.; McCabe, Thomas; Boland, John J.; Gunnlaugsson, Thorfinnur","Healable luminescent self-assembly supramolecular metallogels possessing lanthanide (eu/tb) dependent rheological and morphological properties.","Journal of the American Chemical Society","2015","137","5","1983","1992","10.1021/ja511799n","","","0.71073","MoKα","","","0.0513","","","","0.1873","","","","","","1.12","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123359","24.688","0.004","18.375","0.003","35.257","0.006","90","","90.345","0.002","90","","15994","5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Fe3 O18 -","- C54 H30 Fe3 O18 -","- C216 H120 Fe12 O72 -","4","1","","Park, Jihye; Feng, Dawei; Zhou, Hong-Cai","Structure-assisted functional anchor implantation in robust metal-organic frameworks with ultralarge pores.","Journal of the American Chemical Society","2015","137","4","1663","1672","10.1021/ja5123528","","","0.71073","MoKα","","0.1117","0.0632","","","0.1321","0.1399","","","","","","1","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123360","8.0459","0.0009","12.9424","0.0015","17.2406","0.0019","90","","90","","90","","1795.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0826","0.0685","","","0.1336","0.141","","","","","","1.109","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123361","6.2588","0.0007","14.004","0.0016","8.5176","0.0009","90","","101.959","0.007","90","","730.35","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0885","0.061","","","0.1339","0.144","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123362","12.5094","0.0012","9.8617","0.0009","15.3826","0.0015","90","","107.849","0.004","90","","1806.3","0.3","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","0.5","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0124","0.0118","","","0.031","0.0313","","","","","","1.122","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123363","12.8987","0.0016","9.316","0.0012","16.749","0.002","90","","110.477","0.002","90","","1885.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0365","0.0304","","","0.0754","0.0782","","","","","","1.025","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123364","21.9178","0.0014","18.6844","0.0011","17.974","0.0011","90","","109.179","0.003","90","","6952.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C256 H464 P16 Pt8 Sn8 V8 -","8","2","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0709","0.0402","","","0.0818","0.0965","","","","","","0.869","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123365","11.6024","0.0005","19.1333","0.0009","15.8714","0.0007","90","","102.149","0.002","90","","3444.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C128 H232 P8 Pt4 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0303","0.0229","","","0.0479","0.0506","","","","","","1.054","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123366","9.49","0.0002","9.929","0.0003","10.876","0.0003","100.511","0.0011","98.054","0.0011","99.392","0.0015","978.74","0.05","130","2","130","2","","","","","","","","7","P -1","-P 1","2","brines05","brines05","","- C12 H27 F3 Fe N4 O5 S -","- C12 H27 F3 Fe N4 O5 S -","- C24 H54 F6 Fe2 N8 O10 S2 -","2","1","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.055","0.0457","","","0.125","0.1299","","","","","","1.137","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123367","22.61","0.0005","22.61","0.0005","22.61","0.0005","90","","90","","90","","11558.5","0.4","130","2","130","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","brines06","brines06","","- C24 H42 F6 Fe2 N8 O9 S2 -","- C24 H42 F6 Fe2 N8 O9 S2 -","- C288 H504 F72 Fe24 N96 O108 S24 -","12","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.0925","0.0521","","","0.1192","0.1399","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123368","20.564","0.0005","13.042","0.0004","18.436","0.0007","90","","111.117","0.001","90","","4612.4","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","brines08_b","brines08_b","","- C54 H112 F18 Fe4 N16 O25 S6 -","- C54 H112 F18 Fe4 N16 O25 S6 -","- C108 H224 F36 Fe8 N32 O50 S12 -","2","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.2041","0.0655","","","0.1418","0.176","","","","","","0.982","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123369","7.8818","0.0014","8.7859","0.0015","8.9967","0.0016","90","","115.426","0.002","90","","562.67","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RecPGA 100k","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0359","0.0345","","","0.0942","0.0957","","","","","","1.074","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123370","7.9568","0.0017","8.7449","0.0019","9.098","0.002","90","","115.482","0.003","90","","571.5","0.2","268","2","268","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rec-PGA 273K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0625","0.0414","","","0.0978","0.1109","","","","","","1.013","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123371","8.059","0.005","8.762","0.005","9.167","0.006","90","","114.875","0.008","90","","587.3","0.6","371","2","371","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RecPGA 373K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1046","0.0455","","","0.1061","0.1278","","","","","","0.944","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123372","8.1865","0.0003","14.3317","0.0005","14.6585","0.0005","90","","90","","90","","1719.83","0.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0415","0.0326","","","0.0773","0.0803","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123373","8.9579","0.0001","13.2324","0.0002","14.6009","0.0002","90","","90","","90","","1730.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0547","0.0435","","","0.1156","0.1215","","","","","","1.078","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123374","8.9727","0.0004","13.3086","0.0006","14.6196","0.0006","90","","90","","90","","1745.79","0.13","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0537","0.0448","","","0.1249","0.1314","","","","","","1.043","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123375","9.001","0.0005","13.3871","0.0008","14.6429","0.0008","90","","90","","90","","1764.43","0.17","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0669","0.0502","","","0.1387","0.1494","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123376","9.024","0.005","13.453","0.008","14.672","0.008","90","","90","","90","","1781.2","1.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0791","0.0531","","","0.1487","0.1622","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123377","9.039","0.001","13.468","0.001","14.67","0.001","90","","90","","90","","1785.9","0.3","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0876","0.053","","","0.1435","0.1656","","","","","","0.962","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123378","4.4135","0.0007","9.1662","0.0014","14.753","0.002","90","","90","","90","","596.83","0.15","353","2","353","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.082","0.0576","","","0.1644","0.1797","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123379","8.2013","0.0008","14.3479","0.0014","14.6577","0.0013","90","","90","","90","","1724.8","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0529","0.0377","","","0.0875","0.0928","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123380","8.9496","0.0003","13.2294","0.0004","14.5958","0.0005","90","","90","","90","","1728.11","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0514","0.0407","","","0.0999","0.1065","","","","","","1.03","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123381","8.9685","0.0011","13.3051","0.0019","14.6126","0.0019","90","","90","","90","","1743.7","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1288","0.0612","","","0.1106","0.1249","","","","","","0.976","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123382","8.988","0.004","13.378","0.005","14.62","0.006","90","","90","","90","","1757.9","1.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1011","0.0515","","","0.108","0.1229","","","","","","1.026","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123383","9.0121","0.0012","13.4568","0.0018","14.6634","0.0018","90","","90","","90","","1778.3","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0624","0.0448","","","0.1097","0.1169","","","","","","1.06","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123384","9.0379","0.0009","13.4729","0.0014","14.6797","0.0013","90","","90","","90","","1787.5","0.3","331","2","331","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0652","0.043","","","0.1068","0.1155","","","","","","0.999","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123385","4.425","0.001","9.162","0.002","14.747","0.003","90","","90","","90","","597.9","0.2","361","2","361","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0848","0.0507","","","0.151","0.1664","","","","","","1.019","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123386","11.9691","0.0007","16.9351","0.001","22.841","0.0013","106.621","0.003","91.522","0.003","109.707","0.003","4137.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H107 Mo2 O10 P4 -","- C93 H107 Mo2 O10 P4 -","- C186 H214 Mo4 O20 P8 -","2","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0613","0.0506","","","0.1879","0.2015","","","","","","1.633","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123387","11.402","0.0004","17.1733","0.0007","19.0484","0.0007","90","","102.399","0.001","90","","3642.9","0.2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Mo N O5 P2 Si -","- C37 H47 Mo N O5 P2 Si -","- C148 H188 Mo4 N4 O20 P8 Si4 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0924","0.0486","","","0.126","0.1523","","","","","","0.99","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123388","11.6649","0.0006","16.187","0.0008","16.4201","0.0008","90","","108.193","0.003","90","","2945.4","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Mo O4 P2 -","- C32 H38 Mo O4 P2 -","- C128 H152 Mo4 O16 P8 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0564","0.0354","","","0.0724","0.079","","","","","","1.033","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123389","12.5114","0.0011","15.1452","0.0014","15.6129","0.0014","64.704","0.003","81.599","0.003","85.342","0.003","2645.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","1","0.5","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.1379","0.0576","","","0.1258","0.1453","","","","","","0.901","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123390","15.4116","0.0015","17.8993","0.0018","29.421","0.003","90","","98.755","0.003","90","","8021.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 B2 N4 -","- C46 H56 B2 N4 -","- C368 H448 B16 N32 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Constantinidis, Philipp; Dellermann, Theresa; Ewing, William C.; Fischer, Ingo; Hammond, Kai; Hupp, Florian; Mies, Jan; Schmitt, Hans-Christian; Vargas, Alfredo","Experimental assessment of the strengths of B-B triple bonds.","Journal of the American Chemical Society","2015","137","5","1766","1769","10.1021/ja5116293","","","0.71073","MoKα","","0.0874","0.0517","","","0.1264","0.1479","","","","","","0.977","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123391","13.4503","0.0013","19.978","0.0012","20.98","0.002","70.61","0.02","74.74","0.02","74.356","0.017","5026.3","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.0924","0.0837","","","0.2436","0.258","","","","","","1.035","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123392","16.251","0.0003","25.4128","0.0005","20.1142","0.0004","90","","96.7421","0.0008","90","","8249.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H188.94 F20 N14 Zn2 -","- C192 H188.944 F20 N14 Zn2 -","- C384 H377.888 F40 N28 Zn4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1292","0.0786","","","0.1976","0.2434","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123393","14.6906","0.0003","19.7967","0.0004","28.3779","0.0007","78.8254","0.0013","78.9164","0.0011","75.3523","0.0012","7743.7","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C165.71 H143.95 Cl12.98 F20 N14 Ni2 O2.73 -","- C165.71 H143.964 Cl12.982 F20 N14 Ni2 O2.728 -","- C331.42 H287.928 Cl25.964 F40 N28 Ni4 O5.456 -","2","1","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.3301","0.128","","","0.2813","0.3748","","","","","","1.08","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123394","16.3245","0.0003","25.3066","0.0005","20.3499","0.0004","90","","97.9906","0.0007","90","","8325.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H184.96 F20 N14 Ni2 -","- C192 H184.96 F20 N14 Ni2 -","- C384 H369.92 F40 N28 Ni4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.114","0.0818","","","0.2272","0.2589","","","","","","1.025","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123395","14.4663","0.0014","20.885","0.002","22.059","0.002","77.33","0.02","75.06","0.03","71.62","0.03","6041.2","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1173","0.1076","","","0.3208","0.343","","","","","","1.002","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123396","11.8627","0.0011","21.3198","0.0018","22.347","0.002","111.383","0.005","102.126","0.005","100.709","0.005","4926.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H138 Cd4 Co2 F24 N24 O26 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","1","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","","","0.1302","0.1066","","","0.2842","0.3094","","","","","","1.351","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123397","41.257","0.003","18.8357","0.0015","33.336","0.003","90","","126.448","0.004","90","","20838","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.71073","MoKα","","0.1518","0.1095","","","0.288","0.3159","","","","","","1.153","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123398","24.435","0.002","28.08","0.002","37.608","0.003","90.018","0.004","99.198","0.004","106.888","0.003","24344","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H136 Cd4 Co2 F48 N30 O33 S16 -","- C185.475 H132 Cd4 Co2 F34.05 N27.55 O24.1 S11.475 -","- C741.9 H528 Cd16 Co8 F136.2 N110.2 O96.3998 S45.9 -","4","2","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1683","0.1325","","","0.3459","0.3724","","","","","","1.213","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123399","39.838","0.0019","18.8938","0.0008","33.233","0.0016","90","","126.262","0.002","90","","20169.5","1.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1504","0.1301","","","0.3459","0.3659","","","","","","1.182","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123400","9.98013","0.00019","40.017","0.0006","10.6433","0.0002","90","","114.523","0.002","90","","3867.23","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 I N P2 Pd -","- C47 H39 I N P2 Pd -","- C188 H156 I4 N4 P8 Pd4 -","4","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","","0.71073","MoKα","","0.0576","0.0515","","","0.0961","0.0978","","","","","","1.344","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123401","12.0643","0.0004","14.4213","0.0005","16.233","0.0005","63.724","0.003","70.613","0.003","66.142","0.003","2275.44","0.15","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H52 I N O P2 Pd -","- C55 H52 I N O P2 Pd -","- C110 H104 I2 N2 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.1085","0.0867","","","0.2516","0.2753","","","","","","1.056","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123402","10.9999","0.0003","12.0363","0.0004","20.4093","0.0007","82.131","0.003","81.984","0.003","74.532","0.003","2564.72","0.15","159","","159","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H42 Cl6 F I N2 O P2 Pd -","- C53 H42 Cl6 F I N2 O P2 Pd -","- C106 H84 Cl12 F2 I2 N4 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.0861","0.0614","","","0.1628","0.1863","","","","","","1.06","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123403","81.353","0.008","11.6324","0.001","17.8269","0.0018","90","","100.173","0.008","90","","16605","3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H37 Cl2 I O3 P2 Pd -","- C46 H37 Cl2 I O3 P2 Pd -","- C736 H592 Cl32 I16 O48 P32 Pd16 -","16","4","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.56086","AgKα","","0.0426","0.0359","","","0.0769","0.0806","","","","","","1.074","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123404","8.2721","0.001","11.0861","0.0013","40.398","0.005","90","","90","","90","","3704.7","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 O4 -","- C48 H54 O4 -","- C192 H216 O16 -","4","1","","Pérez-Estrada, Salvador; Rodr\?íguez-Molina, Braulio; Xiao, Leilei; Santillan, Rosa; Jiménez-Osés, Gonzalo; Houk, K. N.; Garcia-Garibay, Miguel A","Thermodynamic Evaluation of Aromatic CH/π Interactions and Rotational Entropy in a Molecular Rotor.","Journal of the American Chemical Society","2015","137","6","2175","2178","10.1021/ja512053t","","","0.71073","MoKα","","0.0748","0.0484","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123405","28.63","0.02","36.9","0.03","29.71","0.02","90","","115.111","0.015","90","","28421","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120.74 H125.74 Cl2.22 N10 Ni2.5 -","- C120.738 H125.738 Cl2.214 N10 Ni2.5 -","- C965.904 H1005.9 Cl17.712 N80 Ni20 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1406","0.1152","","","0.311","0.3422","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123406","21.5736","0.0004","29.4153","0.0005","25.8483","0.0005","90","","97.4896","0.0008","90","","16263.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H150 Cl0 N12 Ni3 -","- C144 H150 N12 Ni3 -","- C576 H600 N48 Ni12 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1982","0.0934","","","0.2073","0.2422","","","","","","1.034","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123407","49.5249","0.001","19.1034","0.0004","31.0992","0.0006","90","","125.822","0.0008","90","","23857.1","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C192 H200 N16 Ni4 -","- C192 H200 N16 Ni4 -","- C768 H800 N64 Ni16 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","0.71073","MoKα","","0.2111","0.0788","","","0.1362","0.1632","","","","","","1.041","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123408","9.7066","0.0001","18.4257","0.0002","20.1642","0.0002","90","","90","","90","","3606.39","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0354","0.0342","","","0.0883","0.0899","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123409","9.7075","0.0001","18.431","0.0002","20.1405","0.0003","90","","90","","90","","3603.52","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0398","0.0386","","","0.1009","0.1025","","","","","","1.023","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123410","8.3141","0.0003","7.0195","0.0004","11.3118","0.0005","90","","102.354","0.003","90","","644.88","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidinium chloride","","- C14 H20 Cl N -","- C14 H20 Cl N -","- C28 H40 Cl2 N2 -","2","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","0.71073","MoKα","","0.0254","0.024","","","0.0589","0.0597","","","","","","1.034","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123411","14.6472","0.0003","11.2093","0.0003","22.8299","0.0006","90","","110.334","0.001","90","","3514.74","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl Ir O P2 S2 -","- C36 H44 Cl Ir O P2 S2 -","- C144 H176 Cl4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0598","0.0448","","","0.0873","0.0954","","","","","","1.094","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123412","15.5412","0.0005","16.1059","0.0005","24.1122","0.0008","90","","90","","90","","6035.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Ir O P2 S2 -","- C29 H38 Cl Ir O P2 S2 -","- C232 H304 Cl8 Ir8 O8 P16 S16 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0925","0.0652","","","0.1422","0.1586","","","","","","1.1","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123413","8.6819","0.0005","8.6819","0.0005","8.7423","0.0007","90","","90","","120","","570.67","0.07","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al3 B3 F O10 Rb3 -","- Al3 B3 F O10 Rb3 -","- Al6 B6 F2 O20 Rb6 -","2","0.333333","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua","Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal.","Journal of the American Chemical Society","2015","137","6","2207","2210","10.1021/ja5128314","","","0.71073","MoKα","","0.0424","0.0415","","","0.0974","0.0988","","","","","","1.221","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123414","8.2161","0.0016","8.7777","0.0018","17.239","0.003","90","","92.12","0.03","90","","1242.4","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Br Cl N2 O7 S -","- C23 H20 Br Cl N2 O7 S -","- C46 H40 Br2 Cl2 N4 O14 S2 -","2","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","1.54178","CuKα","","0.0272","0.0267","","","0.0711","0.0716","","","","","","1.035","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123415","7.4326","0.0013","8.4705","0.0015","8.8458","0.0015","74.143","0.003","74.315","0.003","83.209","0.003","515.18","0.16","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","1","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","0.71073","MoKα","","0.0409","0.0311","","","0.062","0.065","","","","","","0.806","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123416","12.3722","0.0016","4.0997","0.0007","9.3435","0.0014","90","","90","","90","","473.92","0.12","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Au Bi Pb2 S3 Te2 -","- Au Bi Pb2 S3 Te2 -","- Au2 Bi2 Pb4 S6 Te4 -","2","0.25","","Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri","Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers.","Journal of the American Chemical Society","2015","137","6","2311","2317","10.1021/ja5111688","","","0.71073","MoKα","","0.0867","0.0632","","","0.1465","0.1565","","","","","","1.053","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123417","16.2695","0.0007","15.9492","0.0007","16.5922","0.0007","90","","110.464","0.003","90","","4033.7","0.3","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H72 F24 N12 P4 -","- C76 H72 F24 N12 P4 -","- C152 H144 F48 N24 P8 -","2","0.5","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1197","0.079","","","0.2104","0.2566","","","","","","1.021","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123418","23.0809","0.0005","23.1311","0.0006","38.3125","0.0009","90","","94.8563","0.0015","90","","20381.1","0.8","100","2","99.99","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C236 H176 F48 N8 O P8 -","- C236 H176 F48 N8 O P8 -","- C944 H704 F192 N32 O4 P32 -","4","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1376","0.1038","","","0.2819","0.3033","","","","","","1.03","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123419","17.5692","0.0004","19.4448","0.0005","20.6","0.0005","83.1741","0.0017","65.6972","0.0015","82.9265","0.0016","6347","0.3","100","2","99.94","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H110 F24 N6 O2 P4 -","- C168 H110 F24 N6 O2 P4 -","- C336 H220 F48 N12 O4 P8 -","2","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1299","0.1091","","","0.2692","0.2826","","","","","","1.053","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123420","15.097","0.002","7.8518","0.0014","7.2255","0.0012","90","","100.1","0.005","90","","843.2","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 K N O5 S -","- C6 H4 K N O5 S -","- C24 H16 K4 N4 O20 S4 -","4","1","","Zhang, Yuexia; Du, Yu; Huang, Zhijian; Xu, Jianfeng; Wu, Xingxing; Wang, Yuhuang; Wang, Ming; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","N-Heterocyclic Carbene-Catalyzed Radical Reactions for Highly Enantioselective β-Hydroxylation of Enals.","Journal of the American Chemical Society","2015","137","7","2416","2419","10.1021/ja511371a","","","0.71073","MoKα","","0.0791","0.0412","","","0.0761","0.0887","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123421","24.23","0.002","24.193","0.002","17.0847","0.0016","90","","92.957","0.003","90","","10001.7","1.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H25 O13 Zn4 -","- C42 H25 O13 Zn4 -","- C168 H100 O52 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","1.0332","synchrotron","","0.1003","0.0533","","","0.1451","0.1585","","","","","","0.816","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123422","24.117","0.002","24.219","0.002","17.0669","0.0017","90","","92.381","0.002","90","","9960","1.5","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H24.5 O13.25 Zn4 -","- C42 H24 O13.25 Zn4 -","- C168 H96 O53 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","0.71073","MoKα","","0.0967","0.0656","","","0.1927","0.205","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123423","16.1203","0.0006","22.1653","0.0008","7.4539","0.0002","90","","99.215","0.002","90","","2628.99","0.15","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N O -","- C33 H33 N O -","- C132 H132 N4 O4 -","4","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0903","0.0721","","0.2136","0.1919","0.2124","","","","","","1.0559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123424","8.9934","0.0002","10.5133","0.0002","14.3208","0.0003","72.53","0.001","74.383","0.001","68.732","0.001","1183.88","0.04","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0569","0.0474","","","0.127","0.1379","","","","","","1.046","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123425","9.3127","0.0003","9.9133","0.0003","13.4051","0.0003","78.804","0.002","81.019","0.002","72.871","0.002","1153.68","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C60 H48 N4 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0638","0.0471","","","0.1227","0.1359","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123426","7.8807","0.0001","12.0321","0.0002","13.5012","0.0002","65.898","0.001","76.679","0.001","87.044","0.001","1135.85","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C58 H50 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0415","0.0391","","","0.0992","0.1019","","","","","","1.036","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123427","8.8899","0.0004","10.429","0.0004","13.6311","0.0006","93.185","0.002","95.814","0.002","110.902","0.002","1168.81","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0399","0.0382","","0.0839","0.0835","0.0837","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123428","9.2154","0.0002","10.0505","0.0002","13.3037","0.0003","80.098","0.002","81.359","0.002","70.915","0.002","1141.24","0.04","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C58 H48 F2 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0595","0.0491","","","0.1358","0.1535","","","","","","1.061","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123429","8.3905","0.0001","11.9981","0.0002","12.9348","0.0002","69.247","0.001","80.694","0.001","84.584","0.001","1200.66","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0714","0.0465","","","0.1164","0.131","","","","","","1.032","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123430","9.8742","0.0016","10.1722","0.0016","10.841","0.0017","70.213","0.003","63.296","0.003","69.15","0.003","888","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 F O2 S -","- C20 H23 F O2 S -","- C40 H46 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0788","0.0668","","","0.1844","0.1979","","","","","","1.057","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123431","11.3193","0.001","9.9646","0.0008","15.9064","0.0014","90","","99.141","0.002","90","","1771.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F O2 S -","- C19 H23 F O2 S -","- C76 H92 F4 O8 S4 -","4","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0722","0.0564","","","0.1569","0.1699","","","","","","1.037","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123432","5.7504","0.001","10.7595","0.0018","11.1873","0.0018","85.696","0.004","89.177","0.004","84.614","0.004","687.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br F O2 S -","- C14 H12 Br F O2 S -","- C28 H24 Br2 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.1177","0.0596","","","0.1456","0.1791","","","","","","1.013","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123433","15.8781","0.0018","8.5321","0.0007","18.168","0.002","90","","110.629","0.005","90","","2303.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H19 N O4 S2 -","- C28 H19 N O4 S2 -","- C112 H76 N4 O16 S8 -","4","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.1052","0.0866","","","0.1959","0.2076","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123434","11.944","0.003","37.285","0.008","12.625","0.003","90","","115.775","0.0017","90","","5063","2","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H77 Cl3 N4 O16 S8 -","- C129 H77 Cl3 N4 O16 S8 -","- C258 H154 Cl6 N8 O32 S16 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0389","0.0366","","","0.0868","0.0882","","","","","","1.027","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123435","8.337","0.0011","11.6192","0.0018","11.8076","0.0016","113.145","0.003","93.8535","0.0006","110.66","0.002","955.5","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O5 S3 -","- C19 H17 N O5 S3 -","- C38 H34 N2 O10 S6 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0265","0.0236","","","0.0621","0.0634","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123436","11.2023","0.0002","18.1981","0.0004","20.3347","0.0004","90","","90","","90","","4145.44","0.14","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Fe N6 O2 Si -","- C47 H48 Fe N6 O2 Si -","- C188 H192 Fe4 N24 O8 Si4 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0682","0.0481","","","0.1047","0.1125","","","","","","1.052","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123437","38.232","0.0004","10.10328","0.00011","10.11886","0.00012","90","","94.4473","0.001","90","","3896.83","0.08","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H41 Fe N5 O3 -","- C46 H41 Fe N5 O3 -","- C184 H164 Fe4 N20 O12 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0429","0.041","","","0.0942","0.095","","","","","","1.17","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123438","13.8855","0.0007","19.3733","0.0009","8.1757","0.0004","90","","109.729","0.0016","90","","2070.23","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N2 S2 -","- C25 H22 N2 S2 -","- C100 H88 N8 S8 -","4","0.5","","Herder, Martin; Schmidt, Bernd M.; Grubert, Lutz; Pätzel, Michael; Schwarz, Jutta; Hecht, Stefan","Improving the fatigue resistance of diarylethene switches.","Journal of the American Chemical Society","2015","137","7","2738","2747","10.1021/ja513027s","","","0.71073","MoKα","","0.0357","0.0339","","","0.0892","0.0909","","","","","","1.048","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123439","11.787","0.004","6.031","0.002","15.094","0.004","90","","111.35","0.02","90","","999.4","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 -","- C20 H27 Br N2 O2 -","- C40 H54 Br2 N4 O4 -","2","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","","1.54178","CuKα","","0.0317","0.0314","","","0.085","0.0854","","","","","","1.085","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123440","6.426","0.002","18.229","0.007","20.879","0.007","90","","90","","90","","2445.8","1.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","x-ray","0.71073","MoKα","","0.0484","0.0362","","","0.0721","0.076","","","","","","1.041","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123441","38.678","0.003","38.678","0.003","38.678","0.003","90","","90","","90","","57862","8","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C156 O32 Zr6 -","- C156 O32 Zr6 -","- C624 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.1178","0.1126","","","0.2766","0.2798","","","","","","2.243","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123442","23.239","0.004","23.239","0.004","32.854","0.013","90","","90","","90","","17743","8","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C108 H76 O32 Zr6 -","- C108 O32 Zr6 -","- C216 O64 Zr12 -","2","0.25","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.0975","0.0739","","","0.1802","0.1904","","","","","","1.153","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123443","37.1295","0.0019","37.1295","0.0019","30.052","0.0017","90","","90","","120","","35879","3","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-H","","","- C216 H72 F12 N0 O52 Zn16 -","- C216 H72 F12 O52 Zn16 -","- C432 H144 F24 O104 Zn32 -","2","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1023","0.0859","","","0.2579","0.2731","","","","","","1.13","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123444","37.1842","0.0008","37.1842","0.0008","29.9546","0.0007","90","","90","","120","","35868.3","1.4","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-E","","","- C172.5 H115.5 O38 Zn8 -","- C172.5 H115.5 O38 Zn8 -","- C690 H462 O152 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1602","0.1344","","","0.3822","0.4024","","","","","","1.531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123445","37.149","0.005","37.149","0.005","30.032","0.007","90","","90","","120","","35893","11","223","2","223","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.9","","","0.1023","0.0812","","","0.2196","0.2367","","","","","","0.899","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123446","25.9639","0.0007","25.9639","0.0007","25.9639","0.0007","90","","90","","90","","17502.9","0.8","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H18 F12 O13 Zn4 -","- C54 H18 F12 O13 Zn4 -","- C432 H144 F96 O104 Zn32 -","8","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1097","0.0978","","","0.3111","0.3259","","","","","","1.36","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123447","36.78","0.013","36.78","0.013","29.9","0.011","90","","90","","120","","35029","2","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-G","","","- C78 H30 O13 Zn4 -","- C78 H30 O13 Zn4 -","- C624 H240 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7749","","","0.15","0.1247","","","0.3228","0.344","","","","","","1.309","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123448","37.09","0.004","37.09","0.004","29.987","0.004","90","","90","","120","","35725","7","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-K","","","- C121 H64.15 N4 O26 Zn8 -","- C120.33 H64.263 N4.02 O26 Zn8 -","- C481.32 H257.052 N16.08 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1319","0.1157","","","0.3316","0.3489","","","","","","1.606","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123449","37.227","0.003","37.227","0.003","30.149","0.003","90","","90","","120","","36184","5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-F","","","- C108 H36 F24 N0 O26 Zn8 -","- C108 H36 F24 O26 Zn8 -","- C432 H144 F96 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1811","0.1268","","","0.3274","0.346","","","","","","1.308","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123450","37.099","0.005","37.099","0.005","30.042","0.005","90","","90","","120","","35808","9","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MTV-MOF-177-AF1","","","- C54 H25.69 F3.8 O13 Zn4 -","- C54 H25.683 F3.804 O13 Zn4 -","- C432 H205.464 F30.432 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.0899","0.08","","","0.2166","0.2237","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123451","37.083","0.0013","37.083","0.0013","30.0291","0.0011","90","","90","","120","","35762","2","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-I","","","- C114 H54 N0 O26 Zn8 -","- C123 H54 O26 Zn8 -","- C492 H216 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1577","0.1133","","","0.3215","0.3511","","","","","","1.261","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123452","25.888","0.003","25.888","0.003","25.888","0.003","90","","90","","90","","17350","3","250","2","250","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-155-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7","synchrotron","","0.0767","0.0709","","","0.2421","0.2502","","","","","","1.198","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123453","37.151","0.0003","37.151","0.0003","30.042","0.0007","90","","90","","120","","35908.8","0.9","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-D","","","- C115.5 H67.5 O33.5 Zn8 -","- C115.5 H67.5 O33.5 Zn8 -","- C462 H270 O134 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1315","0.097","","","0.2702","0.2944","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123454","37.1916","0.0008","37.1916","0.0008","29.9793","0.0007","90","","90","","120","","35912.2","1.4","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-B","","","- C108 H60 N12 O26 Zn8 -","- C108 H60 N12 O26 Zn8 -","- C432 H240 N48 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1259","0.0829","","","0.2487","0.261","","","","","","0.982","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123455","24.36","0.003","24.36","0.003","16.909","0.003","90","","90","","90","","10034","2","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","MOF-156-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C108 H72 N12 O26 Zn8 -","2","0.125","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.8","synchrotron","","0.1523","0.1198","","","0.4656","0.4875","","","","","","1.658","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123456","11.354","0.008","17.251","0.011","11.683","0.008","90","","107.778","0.006","90","","2179","3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Nd -","- C30 H40 Cl6 N6 Nd -","- C60 H80 Cl12 N12 Nd2 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0819","0.0502","","","0.1205","0.1362","","","","","","0.972","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123457","11.318","0.004","17.191","0.006","11.69","0.004","90","","107.791","0.004","90","","2165.7","1.3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Gd N6 -","- C30 H40 Cl6 Gd N6 -","- C60 H80 Cl12 Gd2 N12 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0534","0.0379","","","0.099","0.1059","","","","","","1.335","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123458","15.4642","0.0009","15.25","0.0009","16.0021","0.0009","90","","91.415","0.001","90","","3772.6","0.4","140","1","140","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H72 Ce Cl6 N4 P3 -","- C80 H72 Ce Cl6 N4 P3 -","- C160 H144 Ce2 Cl12 N8 P6 -","2","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0367","0.031","","","0.0635","0.066","","","","","","0.955","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123459","22.1094","0.0017","17.189","0.0013","11.6781","0.0009","90","","102.599","0.001","90","","4331.3","0.6","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Eu N6 -","- C26 H63 Cl6 Eu N4 -","- C104 H252 Cl24 Eu4 N16 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0444","0.0294","","","0.054","0.0579","","","","","","1.183","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123460","22.068","0.002","17.163","0.0018","11.6569","0.0013","90","","102.554","0.001","90","","4309.5","0.8","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Sm -","- C28 H66 Cl6 N5 Sm -","- C112 H264 Cl24 N20 Sm4 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0608","0.0497","","","0.1175","0.1194","","","","","","2.126","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123461","11.0386","0.0009","14.1263","0.0011","21.5894","0.0017","90","","103.653","0.001","90","","3271.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 Fe N4 O6 S2 -","- C32 H24 F6 Fe N4 O6 S2 -","- C128 H96 F24 Fe4 N16 O24 S8 -","4","1","","Biswas, Achintesh N.; Puri, Mayank; Meier, Katlyn K.; Oloo, Williamson N.; Rohde, Gregory T.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity toward C-H Bonds.","Journal of the American Chemical Society","2015","137","7","2428","2431","10.1021/ja511757j","","","0.71073","MoKα","","0.0567","0.0374","","","0.0794","0.0885","","","","","","1.031","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123462","8.5189","0.0005","18.3518","0.0012","18.6982","0.0012","90","","92.143","0.002","90","","2921.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Br N3 P Pd -","- C33 H37 Br N3 P Pd -","- C132 H148 Br4 N12 P4 Pd4 -","4","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0853","0.0884","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123463","10.1917","0.0007","11.9481","0.0008","14.9831","0.001","97.577","0.001","109.417","0.001","113.601","0.001","1500.88","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Br N3 P Pd -","- C35 H33 Br N3 P Pd -","- C70 H66 Br2 N6 P2 Pd2 -","2","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0192","0.018","","","0.0468","0.0474","","","","","","1.044","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123464","10.2606","0.0019","10.903","0.002","20.575","0.004","83.409","0.002","82.055","0.002","86.701","0.003","2262.6","0.7","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Eu K N9 O13 -","- C37 H41 Eu K N9 O13 -","- C74 H82 Eu2 K2 N18 O26 -","2","1","","Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; Ni, Chengbao; Law, Ga-Lai; Solomon, Edward I.; Raymond, Kenneth N.","New Insights into Structure and Luminescence of Eu(III) and Sm(III) Complexes of the 3,4,3-LI(1,2-HOPO) Ligand.","Journal of the American Chemical Society","2015","137","8","2816","2819","10.1021/ja5116524","","","0.71073","MoKα","","0.0432","0.0372","","","0.1089","0.1206","","","","","","1.262","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123465","6.8051","0.0011","5.4529","0.0009","9.1425","0.0015","90","","90","","90","","339.26","0.1","30","2","30","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.25","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0449","0.0311","","","0.061","0.0657","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123466","6.8161","0.001","5.4758","0.0009","9.1617","0.0012","90","","90","","90","","341.95","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.5","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0392","0.021","","","0.0391","0.0446","","","","","","1.165","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123467","15.05046","0.00019","15.05046","0.00019","22.728","0.0003","90","","90","","120","","4458.53","0.1","110","2","110","2","","","","","","","","6","P 65","P 65","170","","","","- C24 H35 Cl2 Cu N7 O9 -","- C24 H35 Cl2 Cu N7 O9 -","- C144 H210 Cl12 Cu6 N42 O54 -","6","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0259","0.0248","","","0.0615","0.0623","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123468","15.0863","0.0002","11.06407","0.00018","19.2816","0.0003","90","","99.6221","0.0014","90","","3173.13","0.08","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl2 Cu N5 O9 S -","- C26 H37 Cl2 Cu N5 O9 S -","- C104 H148 Cl8 Cu4 N20 O36 S4 -","4","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0435","0.0355","","","0.0921","0.099","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123469","12.4367","0.0003","15.1159","0.0003","15.4174","0.0004","69.996","0.002","66.443","0.002","71.641","0.002","2442.48","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H35 B Cu F20 N5 S -","- C50 H35 B Cu F20 N5 S -","- C100 H70 B2 Cu2 F40 N10 S2 -","2","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0342","0.0307","","","0.0785","0.0811","","","","","","1.024","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123470","11.8014","0.0002","23.4921","0.0003","13.9336","0.0002","90","","105.786","0.002","90","","3717.25","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 Cu N5 O10 -","- C36 H39 Cl2 Cu N5 O10 -","- C144 H156 Cl8 Cu4 N20 O40 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Lee, Jung Yoon; Peterson, Ryan L.; Liu, Jeffrey J.; Siegler, Maxime A.; Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Amine Oxidative N-Dealkylation via Cupric Hydroperoxide Cu-OOH Homolytic Cleavage Followed by Site-Specific Fenton Chemistry.","Journal of the American Chemical Society","2015","137","8","2867","2874","10.1021/ja508371q","","","0.71073","MoKα","","0.0688","0.0473","","","0.0966","0.1032","","","","","","1.035","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123471","6.7791","0.0002","10.1381","0.0004","9.7026","0.0003","90","","105.925","0.0011","90","","641.24","0.04","","","","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","Title","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0315","0.0311","","","0.0793","0.0797","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123472","9.1382","0.0003","9.9898","0.0003","11.5919","0.0004","69.4491","0.0013","84.6054","0.0014","80.4413","0.0015","976.38","0.06","","","","","","","","","","","chloroforme","5","P -1","-P 1","2","","Title","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0436","0.0393","","","0.0945","0.0974","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123473","10.0688","0.0004","7.9622","0.0003","12.9865","0.0005","90","","109.748","0.002","90","","979.89","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","WH2-17811","toste105","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C44 H42 N2 O10 S2 -","2","1","","Zi, Weiwei; Wu, Hongmiao; Toste, F. Dean","Gold(I)-Catalyzed Dearomative Rautenstrauch Rearrangement: Enantioselective Access to Cyclopenta[b]indoles.","Journal of the American Chemical Society","2015","","","150224162405005","","10.1021/jacs.5b00613","","","1.54178","CuKα","","0.026","0.0255","","","0.0682","0.0685","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123474","10.2527","0.0006","10.1344","0.0006","11.1386","0.0006","90","","95.063","0.002","90","","1152.84","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C46 H64 N4 O10 -","2","1","","Yang, Xiaoyu; Toste, F. Dean","Direct Asymmetric Amination of α-Branched Cyclic Ketones Catalyzed by a Chiral Phosphoric Acid.","Journal of the American Chemical Society","2015","137","9","3205","3208","10.1021/jacs.5b00229","","","1.54178","CuKα","","0.0255","0.0253","","","0.0649","0.0651","","","","","","1.027","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4123475","10.077","0.0011","10.2832","0.0011","19.625","0.002","90","","97.493","0.002","90","","2016.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F -","- C25 H25 F -","- C100 H100 F4 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0873","0.0508","","","0.1385","0.1627","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123476","9.382","0.003","9.53","0.003","11.262","0.004","73.008","0.004","81.053","0.004","83.534","0.005","948.9","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H26 -","- C25 H26 -","- C50 H52 -","2","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0836","0.056","","","0.1273","0.1398","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123477","17.56","0.003","5.7255","0.001","18.734","0.004","90","","92.611","0.007","90","","1881.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 -","- C25 H26 -","- C100 H104 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0968","0.0749","","","0.1984","0.2168","","","","","","1.186","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123478","26.251","0.005","26.251","0.005","11.422","0.002","90","","90","","90","","7871","3","153","2","153","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C25 H26 -","- C25 H26 -","- C400 H416 -","16","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0915","0.0532","","","0.1296","0.155","","","","","","1.019","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123479","11.6106","0.0007","14.4297","0.0008","15.6884","0.0008","86.3941","0.0017","88.475","0.003","72.09","0.0017","2496","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H53 B F18 Ni O P2 -","- C52 H53 B F18 Ni O P2 -","- C104 H106 B2 F36 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0468","","","","0.116","","","","","","0.997","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123480","12.0326","0.0009","13.8825","0.0012","17.516","0.0013","84.588","0.003","79.578","0.003","73.801","0.003","2760.4","0.4","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H62 B F18 N Ni O P2 -","- C57 H62 B F18 N Ni O P2 -","- C114 H124 B2 F36 N2 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0794","","","","0.2755","","","","","","1.02","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123481","20.0039","0.0007","5.7737","0.0002","15.3278","0.0007","90","","106.523","0.002","90","","1697.2","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 O2 -","- C21 H15 F3 O2 -","- C84 H60 F12 O8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","","0.0604","","","","0.1755","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123482","11.7131","0.0002","19.5556","0.0004","28.4483","0.0005","90","","90.58","0.0007","90","","6515.9","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H63 B F18 Ni O2 P2 -","- C67 H63 B F18 Ni O2 P2 -","- C268 H252 B4 F72 Ni4 O8 P8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","0.1727","0.1051","","","0.2696","0.3413","","","","","","1.124","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123483","22.8236","0.0003","12.18146","0.00019","39.6106","0.0006","90","","92.6704","0.0013","90","","11000.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H123 Cl6 Cu3 N9 O37 -","- C102 H123 Cl6 Cu3 N9 O37 -","- C408 H492 Cl24 Cu12 N36 O148 -","4","1","","Kakuda, Saya; Rolle, Clarence J.; Ohkubo, Kei; Siegler, Maxime A.; Karlin, Kenneth D.; Fukuzumi, Shunichi","Lewis Acid-induced change from four- to two-electron reduction of dioxygen catalyzed by copper complexes using scandium triflate.","Journal of the American Chemical Society","2015","137","9","3330","3337","10.1021/ja512584r","","","1.54178","CuKα","","0.0388","0.0341","","","0.0914","0.0948","","","","","","1.028","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123484","9.7356","0.0005","11.2251","0.0004","14.6888","0.0006","97.369","0.003","95.733","0.004","99.239","0.004","1559.38","0.12","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C38 H40 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Rodler, Fabian; Schade, Boris; Jäger, Christof M; Backes, Susanne; Hampel, Frank; Böttcher, Christoph; Clark, Timothy; Hirsch, Andreas","Amphiphilic Perylene-Calix[4]arene Hybrids: Synthesis and Tunable Self-Assembly.","Journal of the American Chemical Society","2015","137","9","3308","3317","10.1021/ja512048t","","","0.7107","MoKα","","0.0647","0.0515","","","0.1214","0.1319","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123485","23.5082","0.0005","7.7039","0.0007","33.317","0.002","90","","97.607","0.002","90","","5980.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br2 F2 N2 O P -","- C30 H23 Br2 F2 N2 O P -","- C240 H184 Br16 F16 N16 O8 P8 -","8","1","","Stolar, Monika; Borau-Garcia, Javier; Toonen, Mark; Baumgartner, Thomas","Synthesis and tunability of highly electron-accepting, N-benzylated ""phosphaviologens"".","Journal of the American Chemical Society","2015","137","9","3366","3371","10.1021/ja513258j","","","0.71073","MoKα","","0.1041","0.0785","","","0.145","0.1564","","","","","","1.129","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123486","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123487","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123488","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123489","34.351","0.017","34.351","","14.71","0.007","90","","90","","90","","17358","12","110","2","110","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C83 H66 N O33 Zr6 -","- C83 H66 N O33 Zr6 -","- C332 H264 N4 O132 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2271","0.1044","","","0.2475","0.2802","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123490","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123491","21.2287","0.0009","17.8117","0.0007","12.3055","0.0004","90","","124.759","0.002","90","","3822.7","0.3","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si61 -","- O157.824 Si60.984 -","- O157.824 Si60.984 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123492","21.5314","0.0006","18.0366","0.0005","12.3918","0.0003","90","","124.872","0.0017","90","","3948.2","0.2","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si64 -","- O148 Si64 -","- O148 Si64 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123493","21.1727","0.0005","17.8092","0.0005","12.2869","0.0002","90","","124.793","0.0014","90","","3804.7","0.17","","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","SSZ-87","","","- C44 H80 N4 O128 Si64 -","- C44 H80 B4.04 N4 O128 Si59.96 -","- C44 H80 B4.04 N4 O128 Si59.96 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123494","12.2843","0.0006","14.6396","0.0007","14.7149","0.0008","99.471","0.001","92.014","0.001","99.06","0.001","2572.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","1612","","","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","1","0.5","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0617","0.0534","","","0.1342","0.1437","","","","","","1.089","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123495","12.1204","0.0005","19.0435","0.0007","23.9068","0.0009","79.424","0.002","76.185","0.002","80.912","0.002","5229.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","in glove box","","","- C96.5 H77 B2 Cl F48 Ir2 N4 O -","- C96.451 H76.902 B2 Cl0.902 F48 Ir2 N4 O -","- C192.902 H153.804 B4 Cl1.804 F96 Ir4 N8 O2 -","2","1","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0816","0.0618","","","0.1722","0.1873","","","","","","1.134","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123496","32.9628","0.0007","32.7442","0.0005","20.4118","0.0004","90","","109.837","0.002","90","","20724","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C632 H544 Au72 Cl16 F48 P56 S32 -","4","0.5","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","1.54178","CuKα","","0.0969","0.083","","","0.2314","0.2471","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123497","27.9293","0.0005","27.9293","0.0005","27.9293","0.0005","90","","90","","90","","21786.1","0.7","225","2","225","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H114 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1143","0.1071","","","0.3332","0.3502","","","","","","1.653","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123498","25.334","0.0012","25.334","0.0012","25.334","0.0012","90","","90","","90","","16259.7","1.3","250","2","250","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0395","0.038","","","0.1115","0.1124","","","","","","1.108","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123499","24.305","0.0009","24.305","0.0009","24.305","0.0009","90","","90","","90","","14357.8","0.9","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H162 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1249","0.1183","","","0.3845","0.4034","","","","","","2.104","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123500","28.9202","0.0007","28.9202","0.0007","28.9202","0.0007","90","","90","","90","","24188.2","1","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0405","0.0348","","","0.1","0.1025","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123501","6.9513","0.0014","8.9094","0.0019","22.121","0.005","90","","90","","90","","1370","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.1256","0.0861","","","0.1975","0.2237","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123502","7.6742","0.0011","11.2836","0.0015","16.041","0.002","90","","90","","90","","1389","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.0904","0.0693","","","0.1746","0.1989","","","","","","1.041","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123503","10.246","0.003","13.688","0.004","10.528","0.003","90","","91.892","0.007","90","","1475.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 B10 -","- C10 H18 B10 -","- C40 H72 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.1543","0.0827","","","0.1977","0.2474","","","","","","1.008","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123504","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123505","12.8403","0.0004","10.7117","0.0003","15.9847","0.0005","90","","110.275","0.001","90","","2062.34","0.11","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl N3 O Os P -","- C17 H31 Cl N3 O Os P -","- C68 H124 Cl4 N12 O4 Os4 P4 -","4","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0435","0.0426","","","0.1371","0.1374","","","","","","1.174","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123506","29.526","0.0003","13.6981","0.0002","13.5978","0.0002","90","","90.42","","90","","5499.48","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 Cl N3 O Os P -","- C29 H43 Cl N3 O Os P -","- C232 H344 Cl8 N24 O8 Os8 P8 -","8","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0197","0.0197","","","0.0502","0.0502","","","","","","1.178","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123507","8.7567","0.0002","11.1781","0.0002","10.334","0.0007","90","","112.471","0.008","90","","934.72","0.09","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Hansen, Douglas A.; Koch, Aaron A.; Sherman, David H.","Substrate controlled divergence in polyketide synthase catalysis.","Journal of the American Chemical Society","2015","137","11","3735","3738","10.1021/ja511743n","","","1.54178","CuKα","","0.0305","0.0295","","","0.0771","0.0781","","","","","","1.058","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123508","32.4082","0.001","10.2792","0.0003","12.9122","0.0004","90","","90","","90","","4301.4","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C48 H50 Cl2 N3 P -","- C48 H50 Cl2 N3 P -","- C192 H200 Cl8 N12 P4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0793","0.0475","","","0.1021","0.1151","","","","","","1.021","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123509","11.4355","0.0003","11.4825","0.0003","19.6164","0.0005","90.636","0.001","106.453","0.001","107.906","0.001","2337.02","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 As Cl2 N3 -","- C54 H56 As Cl2 N3 -","- C108 H112 As2 Cl4 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0481","0.0338","","","0.0832","0.0897","","","","","","1.013","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123510","11.5206","0.0006","11.5256","0.0006","19.7753","0.001","91.395","0.003","106.593","0.003","108.18","0.003","2372.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H55 Cl2 F N3 Sb -","- C54 H55 Cl2 F N3 Sb -","- C108 H110 Cl4 F2 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0598","0.0389","","","0.0856","0.0951","","","","","","1.029","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123511","11.4818","0.0017","11.526","0.0016","19.63","0.003","106.737","0.003","90.714","0.004","107.906","0.003","2352.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 Cl2 N3 Sb -","- C54 H56 Cl2 N3 Sb -","- C108 H112 Cl4 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0615","0.0416","","","0.089","0.0996","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123512","11.7016","0.0004","12.5173","0.0005","14.7576","0.0006","92.092","0.002","96.808","0.002","95.208","0.002","2135.04","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Bi Cl2 N3 -","- C48 H50 Bi Cl2 N3 -","- C96 H100 Bi2 Cl4 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0576","0.0344","","","0.0637","0.0699","","","","","","1.009","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123513","10.5136","0.0005","12.3212","0.0006","15.7422","0.0007","88.805","0.002","84.735","0.002","85.871","0.002","2025.16","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50.58 N3 P0.42 -","- C48 H50.582 N3 P0.418 -","- C96 H101.164 N6 P0.836 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1441","0.0564","","","0.1122","0.1451","","","","","","1.007","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123514","10.4876","0.0004","11.3706","0.0005","19.9187","0.0007","104.433","0.002","92.829","0.002","110.637","0.002","2127.93","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H53 As N3 -","- C51 H53 As N3 -","- C102 H106 As2 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.073","0.0442","","","0.1076","0.1198","","","","","","1.029","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123515","10.4767","0.0003","11.3451","0.0004","20.0371","0.0007","104.057","0.001","93.989","0.001","110.832","0.001","2127.07","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H53 N3 Sb -","- C51 H53 N3 Sb -","- C102 H106 N6 Sb2 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0331","0.0304","","","0.0877","0.0899","","","","","","1.073","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123516","10.4898","0.0003","12.3319","0.0004","15.7147","0.0005","88.046","0.001","84.085","0.002","86.07","0.002","2016.51","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H51 N3 -","- C48 H51 N3 -","- C96 H102 N6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0631","0.0475","","","0.1218","0.1335","","","","","","1.038","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123517","12.6795","0.0005","13.978","0.0005","25.7857","0.0008","90","","91.812","0.001","90","","4567.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Li N3 O -","- C52 H60 Li N3 O -","- C208 H240 Li4 N12 O4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0734","0.0484","","","0.1092","0.1244","","","","","","1.017","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123518","11.4666","0.0003","14.2657","0.0004","29.3989","0.0008","90","","93.347","0.002","90","","4800.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H64 Li N3 O -","- C58 H64 Li N3 O -","- C232 H256 Li4 N12 O4 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.0904","0.0535","","","0.1252","0.1464","","","","","","1.022","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123519","12.8176","0.0006","15.0569","0.0007","22.1137","0.0011","90","","90","","90","","4267.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1206","0.0488","","","0.0871","0.1148","","","","","","1.011","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123520","19.7543","0.0016","9.6057","0.0007","23.324","0.002","90","","101.686","0.005","90","","4334.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.089","0.0431","","","0.0745","0.0884","","","","","","1.027","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123521","9.4149","0.0017","16.705","0.003","16.72","0.003","90","","104.213","0.007","90","","2549.2","0.8","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H32 B F4 O0.5 P -","- C29 H32 B F4 O0.5 P -","- C116 H128 B4 F16 O2 P4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1525","0.0716","","","0.1119","0.1303","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123522","15.5147","0.0012","12.7713","0.001","15.9668","0.0012","90","","105.721","0.004","90","","3045.4","0.4","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29.7 H34.99 Cl0.4 N3 O8 S -","- C29.696 H34.99 Cl0.402 N3 O8 S -","- C118.784 H139.96 Cl1.608 N12 O32 S4 -","4","2","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.1065","0.095","","","0.2482","0.2582","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123523","7.7594","0.0004","8.0085","0.0004","8.9723","0.0004","104.122","0.003","93.894","0.003","90.639","0.003","539.23","0.05","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","1","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.0513","0.038","","","0.0702","0.0732","","","","","","0.926","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123524","8.0897","0.0016","10.667","0.002","11.916","0.002","90","","93.879","0.01","90","","1025.9","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 S -","- C18 H24 N2 O7 S -","- C36 H48 N4 O14 S2 -","2","1","","Kramer, Søren; Fu, Gregory C.","Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles","Journal of the American Chemical Society","2015","","","150317085953008","","10.1021/jacs.5b01944","","","0.71073","MoKα","","0.067","0.0411","","","0.1057","0.1168","","","","","","0.923","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123525","23.5194","0.0008","24.5275","0.0008","18.4585","0.0007","90","","90","","90","","10648.2","0.6","100","2","100.05","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H160 La Mo12 O129 P -","- C96 H160 La Mo12 O129 P0.5 -","- C192 H320 La2 Mo24 O258 P -","2","0.5","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","1.54178","CuKα","","0.0891","0.086","","","0.2331","0.2374","","","","","","1.019","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123526","15.2351","0.0007","42.456","0.002","15.4011","0.0007","90","","101.763","0.002","90","","9752.6","0.8","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H158 La Mo12 O146 P -","- C84 H158 La Mo12 O146 P -","- C168 H316 La2 Mo24 O292 P2 -","2","1","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","0.71073","MoKα","","0.0529","0.0475","","","0.1275","0.1308","","","","","","1.06","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123527","19.1593","0.0012","19.1593","0.0012","37.391","0.003","90","","90","","120","","11886.6","1.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0683","0.0463","","","0.1189","0.1284","","","","","","1.169","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123528","19.18","0.002","19.18","0.002","37.368","0.004","90","","90","","120","","11905","2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0717","0.0483","","","0.1322","0.1443","","","","","","1.037","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123529","31.5198","0.0008","26.9873","0.0007","18.5832","0.0005","90","","90","","90","","15807.5","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24 Cd S18 -","- C576 H648 Au96 Cd4 S72 -","4","0.5","","Wang, Shuxin; Song, Yongbo; Jin, Shan; Liu, Xia; Zhang, Jun; Pei, Yong; Meng, Xiangming; Chen, Man; Li, Peng; Zhu, Manzhou","Metal exchange method using au25 nanoclusters as templates for alloy nanoclusters with atomic precision.","Journal of the American Chemical Society","2015","137","12","4018","4021","10.1021/ja511635g","","","1.54178","CuKα","","0.0407","0.0383","","","0.0993","0.1016","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123530","14.8446","0.0002","9.5407","0.0002","24.2172","0.0004","90","","98.274","0.001","90","","3394.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(II) nitrite","","","- C37 H50 B Co N5 O2 -","- C37 H50 B Co N5 O2 -","- C148 H200 B4 Co4 N20 O8 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0317","0.0289","","","0.0747","0.0765","","","","","","1.012","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123531","21.1749","0.0004","10.2395","0.0002","31.0614","0.0006","90","","92.662","0.001","90","","6727.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(12-TMC) cobalt(II) nitrite","","","- C36 H48 B Co N5 O2 -","- C36 H48 B Co N5 O2 -","- C288 H384 B8 Co8 N40 O16 -","8","2","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0553","0.0399","","","0.0941","0.1014","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4123532","9.0049","0.0003","12.5151","0.0003","18.9162","0.0005","90","","90.136","0.003","90","","2131.8","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(12-TMC) cobalt(III) nitroxyl perchlorate","","","- C12 H28 Cl2 Co N5 O9 -","- C12 H28 Cl2 Co N5 O9 -","- C48 H112 Cl8 Co4 N20 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0637","0.0639","","","","","","1.056","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123533","9.1092","0.0005","15.3973","0.0005","16.555","0.0007","90","","91.387","0.004","90","","2321.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(III) nitroxyl perchlorate","","","- C15 H33 Cl2 Co N6 O9 -","- C15 H33 Cl2 Co N6 O9 -","- C60 H132 Cl8 Co4 N24 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0597","0.0563","","","0.1572","0.1604","","","","","","1.106","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123534","18.604","0.002","10.4802","0.0013","29.054","0.004","90","","106.588","0.004","90","","5429","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(PPOMeP)Ni}2(N2)","","","- C50 H78 N2 Ni2 O2 P6 -","- C50 H78 N2 Ni2 O2 P6 -","- C200 H312 N8 Ni8 O8 P24 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0937","0.066","","","0.1757","0.1933","","","","","","1.096","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123535","11.7408","0.0006","15.3275","0.0008","32.1526","0.0016","90","","96.212","0.003","90","","5752.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPP)NiOPh","","","- C30 H41 Ni O P3 -","- C30 H41 Ni O P3 -","- C240 H328 Ni8 O8 P24 -","8","2","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0758","0.0439","","","0.1085","0.1263","","","","","","1.065","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123536","9.378","0.0004","12.5499","0.0006","13.2723","0.0006","95.613","0.003","95.551","0.003","95.189","0.003","1539.39","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PPOPhP)Ni(CO)","","","- C31 H41 Ni O2 P3 -","- C31 H41 Ni O2 P3 -","- C62 H82 Ni2 O4 P6 -","2","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0695","0.0445","","","0.0901","0.1074","","","","","","1.042","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123537","9.4421","0.0006","14.6722","0.0009","19.5739","0.0011","90","","92.947","0.002","90","","2708.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPOMeP)Ni(CO)","","","- C26 H39 Ni O2 P3 -","- C26 H39 Ni O2 P3 -","- C104 H156 Ni4 O8 P12 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0578","0.0396","","","0.0792","0.0853","","","","","","1.112","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123538","14.856","0.0006","14.9335","0.0006","30.0265","0.0011","90","","90","","90","","6661.4","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(PPP)Ni(OCOOMe)","","","- C33 H47 Ni O3 P3 -","- C33 H47 Ni O3 P3 -","- C264 H376 Ni8 O24 P24 -","8","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0855","0.0404","","","0.0921","0.1213","","","","","","1.121","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123539","14.142","0.003","12.831","0.003","17.562","0.004","90","","90","","90","","3186.7","1.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{(PPMeP)NiI}{I(MeOH)}","","","- C26 H43 I2 Ni O P3 -","- C26 H43 I2 Ni O P3 -","- C104 H172 I8 Ni4 O4 P12 -","4","0.5","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0665","0.0444","","","0.1109","0.1357","","","","","","1.086","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123540","7.69","0.009","17.32","0.02","6.498","0.007","90","","90","","90","","865.5","1.7","313","2","313","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H10 Cl3 Mn N -","- C4 H10 Cl3 Mn N -","- C16 H40 Cl12 Mn4 N4 -","4","0.25","","Zhang, Yi; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Chen, Zhong-Ning; Xiong, Ren-Gen","Highly Efficient Red-Light Emission in An Organic-Inorganic Hybrid Ferroelectrics: (Pyrrolidinium)MnCl3.","Journal of the American Chemical Society","2015","","","150327131753005","","10.1021/jacs.5b01680","","","0.71073","MoKα","","0.045","0.0429","","","0.1247","0.1261","","","","","","1.241","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123541","12.181","0.003","11.497","0.003","19.231","0.005","90","","108.349","0.003","90","","2556.3","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl2 N2 O4 S -","- C27 H24 Cl2 N2 O4 S -","- C108 H96 Cl8 N8 O16 S4 -","4","2","","Zhang, Lei; Liu, Honglei; Qiao, Guanyu; Hou, Zhanfeng; Liu, Yang; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Highly Enantioselective [3 + 3] Cycloaddition of Morita-Baylis-Hillman Carbonates with C,N-Cyclic Azomethine Imines.","Journal of the American Chemical Society","2015","","","150327094845007","","10.1021/jacs.5b01138","","","0.71073","MoKα","","0.0334","0.0326","","","0.0723","0.0729","","","","","","1.07","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123542","20.9728","0.0005","18.7149","0.0005","25.7811","0.0007","90","","97.335","0.003","90","","10036.4","0.5","100","2","100.15","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C180 H116 Ag20 Au24 Cl2 N4 O4 S4 -","- C180 H116 Ag20 Au24 Cl2 N4 S4 -","- C360 H232 Ag40 Au48 Cl4 N8 S8 -","2","0.5","","Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng","An Intermetallic Au24Ag20 Superatom Nanocluster Stabilized by Labile Ligands.","Journal of the American Chemical Society","2015","","","150327131618002","","10.1021/jacs.5b01232","","","1.54184","CuKα","","0.079","0.0696","","","0.1867","0.1932","","","","","","1.088","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123543","48.626","0.006","38.971","0.005","40.431","0.005","90","","90.252","0.004","90","","76616","17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C520 H672 Au133 S52 -","- C400 Au133 S52 -","- C1600 Au532 S208 -","4","0.5","","Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.","Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis.","Journal of the American Chemical Society","2015","137","14","4610","4613","10.1021/ja513152h","","","0.71073","MoKα","","0.1591","0.0841","","","0.227","0.2829","","","","","","1.327","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123544","10.128","0.005","10.623","0.003","17.485","0.01","74.67","0.03","76.59","0.03","62.93","0.03","1601.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(cAAC)P(Ph)2+ Cl-","","","- C71 H90 Cl2 N2 P2 -","- C71 H90 Cl2 N2 P2 -","- C71 H90 Cl2 N2 P2 -","1","0.5","","Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.","Journal of the American Chemical Society","2015","","","150403102455008","","10.1021/jacs.5b02403","","","0.6199","","","0.06","0.0444","","","0.1125","0.1213","","","","","","1.032","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123545","16.3343","0.001","11.2426","0.0007","16.7723","0.0011","90","","101.258","0.003","90","","3020.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 N P Si -","- C32 H41 Cl2 N P Si -","- C128 H164 Cl8 N4 P4 Si4 -","4","1","","Roy, Sudipta; Stückl, A Claudia; Demeshko, Serhiy; Dittrich, Birger; Meyer, Jann; Maity, Bholanath; Koley, Debasis; Schwederski, Brigitte; Kaim, Wolfgang; Roesky, Herbert W.","Stable Radicals from Commonly Used Precursors Trichlorosi-lane and Diphenylchlorophosphine.","Journal of the American Chemical Society","2015","","","150403102455008","","10.1021/jacs.5b02403","","","1.54178","CuKα","","0.0503","0.0473","","","0.1447","0.1487","","","","","","1.112","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123546","6.3483","0.0004","8.5872","0.0005","35.965","0.002","90","","90","","90","","1960.6","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C84 H128 O8 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0312","0.0303","","","0.0768","0.0777","","","","","","1.081","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123547","17.973","0.004","32.859","0.007","18.607","0.004","90","","90","","90","","10989","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C104 H88 Au10 Cl2 P8 S4 -","- C104 H88 Au10 Cl2 P8 S4 -","- C416 H352 Au40 Cl8 P32 S16 -","4","1","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","0.7499","","","0.0485","0.0483","","","0.1256","0.1259","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123548","9.069","0.002","9.142","0.002","11.705","0.003","97.165","0.005","104.869","0.004","94.914","0.004","923.6","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Tao, Zhong-Lin; Li, Xing-Han; Han, Zhi-Yong; Gong, Liu-Zhu","Diastereoselective carbonyl allylation with simple olefins enabled by palladium complex-catalyzed C-h oxidative borylation.","Journal of the American Chemical Society","2015","137","12","4054","4057","10.1021/jacs.5b00507","","","0.71073","MoKα","","0.0743","0.0465","","","0.1008","0.1145","","","","","","1.01","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123549","8.835","0.0012","9.8561","0.0014","20.447","0.003","87.89","0.002","83.555","0.002","66.505","0.002","1622.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Fe Ni P2 -","- C42 H40 Fe Ni P2 -","- C84 H80 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","","","0.0477","0.0389","","","0.0977","0.1033","","","","","","1.035","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123550","9.5468","0.001","10.9875","0.0012","17.402","0.002","96.424","0.002","104.691","0.002","104.454","0.002","1679.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IK_N237 = u14_18","","","- C40 H34 Cl Fe Ni P2 -","- C40 H34 Cl Fe Ni P2 -","- C80 H68 Cl2 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","MoKα","","0.0463","0.0346","","","0.0759","0.0812","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123551","10.013","0.002","21.303","0.004","10.071","0.002","90","","103.21","0.03","90","","2091.4","0.8","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H48 N18 O18 S6 -","- C18 H48 N18 O18 S6 -","- C36 H96 N36 O36 S12 -","2","0.25","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.1552","0.0724","","","0.1579","0.1814","","","","","","1.005","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123552","7.4352","0.0002","9.87","0.0003","10.2119","0.0003","74.408","0.001","82.628","0.001","87.02","0.001","715.74","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.032","0.029","","","0.0812","0.0834","","","","","","1.057","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123553","7.3536","0.0014","12.29","0.002","17.228","0.003","98.787","0.002","92.441","0.002","94.135","0.002","1532.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.0935","0.0607","","","0.161","0.1743","","","","","","1.026","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123554","9.1698","0.001","11.1071","0.0013","19.663","0.002","90","","101.538","0.004","90","","1962.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Dateer, Ramesh B.; Chang, Sukbok","Selective Cyclization of Arylnitrones to Indolines under External Oxidant-Free Conditions: Dual Role of Rh(III) Catalyst in the C-H Activation and Oxygen Atom Transfer.","Journal of the American Chemical Society","2015","","","150408130942007","","10.1021/jacs.5b01065","","","0.71073","MoKα","","0.1405","0.0914","","","0.174","0.1909","","","","","","1.142","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123555","25.097","0.006","12.774","0.004","12.636","0.003","90","","108.232","0.011","90","","3847.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 F6 Ga O5 -","- C17 H8 F6 Ga O5 -","- C136 H64 F48 Ga8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1474","0.0661","","","0.1583","0.1913","","","","","","0.908","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123556","18.6531","0.0006","17.7478","0.0006","11.4205","0.0004","90","","116.229","0.002","90","","3391.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 S2 -","- C34 H58 Ni2 S2 -","- C136 H232 Ni8 S8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0461","0.0332","","","0.082","0.0883","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123557","13.5182","0.0004","13.5182","0.0004","50.6155","0.0016","90","","90","","120","","8010.4","0.4","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C51 H87 B F4 Ni3 S4 -","- C51 H87 B F4 Ni3 S4 -","- C306 H522 B6 F24 Ni18 S24 -","6","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","x-ray","0.71073","MoKα","","0.1022","0.0756","","","0.1734","0.1899","","","","","","0.807","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123558","20.995","0.004","11.757","0.002","21.175","0.004","90","","99.84","0.03","90","","5149.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 S2 -","- C54 H88 Co Ni2 S2 -","- C216 H352 Co4 Ni8 S8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0404","0.028","","","0.0642","0.0697","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123559","18.5781","0.0005","17.6925","0.0005","11.6287","0.0003","90","","115.355","0.0012","90","","3454.08","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 Se2 -","- C34 H58 Ni2 Se2 -","- C136 H232 Ni8 Se8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0289","0.0232","","","0.0945","0.1018","","","","","","0.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123560","13.4762","0.0003","13.9696","0.0003","18.0467","0.0005","92.383","0.001","106.26","0.001","116.849","0.001","2853.38","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H89 B Cl2 F4.02 Ni3 Se4 -","- C52 H89 B Cl2 F4 Ni3 Se4 -","- C104 H178 B2 Cl4 F8 Ni6 Se8 -","2","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","1.54178","CuKα","","0.0279","0.0274","","","0.1145","0.1154","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123561","21.2558","0.0005","11.8529","0.0003","21.0283","0.0005","90","","100.397","0.001","90","","5210.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 Se2 -","- C54 H88 Co Ni2 Se2 -","- C216 H352 Co4 Ni8 Se8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0227","0.0186","","","0.0464","0.0482","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123562","12.5609","0.0004","18.0426","0.0006","20.2071","0.0006","72.348","0.002","89.893","0.002","84.415","0.002","4341.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Ni2 Te2 -","- C34 H58 Ni2 Te2 -","- C170 H290 Ni10 Te10 -","5","2.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.064","0.0383","","","0.0721","0.0781","","","","","","1.2","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123563","16.2284","0.0006","18.9794","0.0008","21.5049","0.0008","90","","90","","90","","6623.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H58 B F4 Ni -","- C34 H58 B F4 Ni -","- C272 H464 B8 F32 Ni8 -","8","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0886","0.0435","","","0.0839","0.1019","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123564","5.7018","0.0002","14.0359","0.0004","31.5795","0.001","90","","90","","90","","2527.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl I O8 S -","- C23 H30 Cl I O8 S -","- C92 H120 Cl4 I4 O32 S4 -","4","1","","Yan, Wuming; Li, Zhanjie; Kishi, Yoshito","Selective activation/coupling of polyhalogenated nucleophiles in ni/cr-mediated reactions: synthesis of c1-c19 building block of halichondrin bs.","Journal of the American Chemical Society","2015","137","19","6219","6225","10.1021/jacs.5b03498","","","1.54178","CuKα","","0.0547","0.0531","","","0.1509","0.1516","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123565","15.5998","0.0006","10.9274","0.0005","46.7138","0.0019","90","","93.599","0.003","90","","7947.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{(cAAC)Si(P-Tip)}2","","","- C172 H271 N4 P4 Si4 -","- C172 H271 N4 P4 Si4 -","- C344 H542 N8 P8 Si8 -","2","0.5","","Roy, Sudipta; Dittrich, Birger; Mondal, Totan; Koley, Debasis; Stückl, A Claudia; Schwederski, Brigitte; Kaim, Wolfgang; John, Michael; Vasa, Suresh Kumar; Linser, Rasmus; Roesky, Herbert W.","Carbene supported dimer of heavier ketenimine analogue with p and si atoms.","Journal of the American Chemical Society","2015","137","19","6180","6183","10.1021/jacs.5b03407","","","1.54178","CuKα","","0.0778","0.0495","","","0.0986","0.1097","","","","","","1.026","","","","has coordinates,has disorder","138242","2020-10-21","18:00:00",""
"4123566","13.4765","0.0007","7.6816","0.0005","29.8008","0.0018","90","","90","","90","","3085","0.3","100","2","99.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H21 N -","- C19 H21 N -","- C152 H168 N8 -","8","2","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","1.54178","CuKα","","0.043","0.0385","","","0.1005","0.1038","","","","","","1.053","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123567","33.2","0.02","17.635","0.01","32.189","0.02","90","0.0014","115.319","0.0018","90","0.0014","17036","18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C448 H712 Mo72 N36 Na4 O268 P16 S8 -","4","0.5","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.1403","0.0885","","","0.2164","0.2571","","","","","","0.883","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4123568","18.0117","0.0002","27.284","0.0005","28.0044","0.0005","90","","90","","90","","13762.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C338 H744 Mo72 N30 O240 S8 -","4","1","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.068","0.0666","","","0.1882","0.1924","","","","","","1.439","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123569","26.067","0.004","18.903","0.003","31.276","0.005","90","","94.391","0.01","90","","15366","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C472 H296 Ag32 F72 N96 O128 Ru24 S24 -","4","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2223","0.1217","","","0.2727","0.308","","","","","","1.512","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123570","12.6592","0.0009","17.1136","0.0012","27.604","0.002","90","","98.746","0.002","90","","5910.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C222 H256 Cl24 N32 O14 Ru16 -","8","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.0597","0.0394","","","0.0745","0.0805","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123571","21.3872","0.002","21.3872","0.002","21.3872","0.002","90","","90","","90","","9782.8","1.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Y6 -","- C72 H24 O38 Y6 -","- C288 H96 O152 Y24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0572","0.056","","","0.1494","0.1506","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123572","21.6883","0.0004","21.6883","0.0004","21.6883","0.0004","90","","90","","90","","10201.8","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Eu6 O38 -","- C72 H24 Eu6 O38 -","- C288 H96 Eu24 O152 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0521","0.0514","","","0.1328","0.1335","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123573","21.6843","0.0003","21.6843","0.0003","21.6843","0.0003","90","","90","","90","","10196.2","0.2","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Tb6 -","- C72 H24 O38 Tb6 -","- C288 H96 O152 Tb24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0479","0.0469","","","0.1264","0.1278","","","","","","1.105","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123574","28.3226","0.0019","10.5984","0.0007","16.3567","0.0008","90","","113.507","0.003","90","","4502.4","0.5","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F3 N3 O2 -","- C24 H20 F3 N3 O2 -","- C192 H160 F24 N24 O16 -","8","1","","Chang, Fang-Yuan; Ternei, Melinda A.; Calle, Paula Y.; Brady, Sean F.","Targeted metagenomics: finding rare tryptophan dimer natural products in the environment.","Journal of the American Chemical Society","2015","137","18","6044","6052","10.1021/jacs.5b01968","","","0.71073","MoKα","","0.0738","0.0486","","","0.1383","0.1502","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123575","9.6888","0.0011","13.3356","0.0015","18.584","0.002","90","","102.392","0.0019","90","","2345.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B2 N2 -","- C28 H32 B2 N2 -","- C112 H128 B8 N8 -","4","1","","Baggett, Andrew W.; Vasiliu, Monica; Li, Bo; Dixon, David A.; Liu, Shih-Yuan","Late-Stage Functionalization of 1,2-Dihydro-1,2-azaborines via Regioselective Iridium-Catalyzed C-H Borylation: The Development of a New N,N-Bidentate Ligand Scaffold.","Journal of the American Chemical Society","2015","","","150420130653009","","10.1021/jacs.5b01916","","","0.71073","MoKα","","0.0627","0.0466","","","0.118","0.1286","","","","","","1.044","","","","has coordinates","136275","2020-10-21","18:00:00",""
"4123576","6.7268","0.0007","12.1525","0.001","14.3989","0.0015","75.871","0.002","85.192","0.004","89.437","0.003","1137.38","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Br F13 O3 -","- C20 H14 Br F13 O3 -","- C40 H28 Br2 F26 O6 -","2","2","","Woźniak, Łukasz; Murphy, John J.; Melchiorre, Paolo","Photo-organocatalytic Enantioselective Perfluoroalkylation of β-Ketoesters.","Journal of the American Chemical Society","2015","137","17","5678","5681","10.1021/jacs.5b03243","","","0.71073","MoKα","","0.0307","0.0285","","","0.0778","0.0869","","","","","","1.087","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123577","7.2838","0.0003","7.068","0.0003","8.6698","0.0003","90","","100.133","0.001","90","","439.38","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-II-21","sarpong101","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0255","0.0254","","","0.0646","0.0646","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123578","18.8316","0.0004","18.8316","0.0004","6.8064","0.0002","90","","90","","120","","2090.37","0.09","100","2","100","2","","","","","","","","3","P 32","P 32","145","AM-II-2","sarpong93","","- C10 H16 O2 -","- C10 H16 O2 -","- C90 H144 O18 -","9","3","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0296","0.0284","","","0.0693","0.0703","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123579","14.7746","0.0008","11.4265","0.0006","8.8009","0.0004","90","","90","","90","","1485.79","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","TACN","1,4,7-triazacyclononane","","- C6 H15 N3 -","- C6 H15 N3 -","- C48 H120 N24 -","8","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.051","0.0508","","","0.1258","0.1261","","","","","","1.067","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123580","13.8404","0.0003","14.4921","0.0003","14.5521","0.0004","60.468","0.003","80.794","0.002","85.313","0.002","2506.87","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) chloride (hydrogen chloride) octahydrate","","- C27 H78.06 Au Cl8.5 N9 O8.28 P3 -","- C27 H65 Au Cl8.5 N9 O8.281 P3 -","- C54 H130 Au2 Cl17 N18 O16.562 P6 -","2","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0372","0.0307","","","0.0697","0.072","","","","","","1.037","","","","has coordinates,has disorder","138212","2020-10-21","18:00:00",""
"4123581","6.7179","0.0003","13.0596","0.0005","14.888","0.0007","90","","93.141","0.004","90","","1304.21","0.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane dichloride","","- C9 H20 Cl2 N3 P -","- C9 H20 Cl2 N3 P -","- C36 H80 Cl8 N12 P4 -","4","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0358","0.0356","","","0.0957","0.0959","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123582","15.5458","0.0008","7.0673","0.0003","40.9852","0.0017","90","","99.247","0.005","90","","4444.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,7-triazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane trichloride hydrate","","- C9 H23.66 Cl3 N3 O1.33 P -","- C9 H23.6667 Cl3 N3 O1.33333 P -","- C108 H284 Cl36 N36 O16 P12 -","12","3","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0443","0.0419","","","0.1153","0.1174","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123583","20.889","0.0004","20.889","0.0004","25.8131","0.0009","90","","90","","120","","9754.5","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) heptachloride (hydrogen chloride) octadecahydrate","","- C27 H98.31 Au Cl8.67 N9 O18.32 P3 -","- C27 H66 Au Cl8.669 N9 O18.326 P3 -","- C162 H396 Au6 Cl52.014 N54 O109.956 P18 -","6","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0391","0.0378","","","0.1033","0.1052","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123584","15.7917","0.0002","15.7917","0.0002","15.7917","0.0002","90","","90","","90","","3938.1","0.09","100","1","100","1","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane","","- C9 H18 N3 P -","- C9 H18 N3 P -","- C144 H288 N48 P16 -","16","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0232","0.0224","","","0.0593","0.0597","","","","","","1.232","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123585","7.1949","0.0001","40.3998","0.0007","12.0121","0.0002","90","","95.896","0.002","90","","3473.12","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) dicyanoaurate(i)","","- C29 H54 Au2 N11 P3 -","- C29 H54 Au2 N11 P3 -","- C116 H216 Au8 N44 P12 -","4","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0242","0.023","","","0.0577","0.0581","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123586","9.4937","0.0001","9.4937","0.0001","6.9591","0.0002","90","","90","","120","","543.194","0.018","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","PTA","1,3,5-triaza-7-phosphaadamantane","","- C6 H12 N3 P -","- C6 H12 N3 P -","- C18 H36 N9 P3 -","3","0.166667","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0165","0.0163","","","0.0493","0.0494","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123587","6.5577","0.0008","7.6142","0.001","25.315","0.003","90","","90","","90","","1264","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-methylpyridine-N-oxide","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0694","0.0428","","","0.0948","0.1044","","","","","","1.025","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123588","6.8204","0.0013","7.4543","0.0014","28.371","0.005","90","","90","","90","","1442.4","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-dimethylaminopyridine-N-oxide","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0365","0.0288","","","0.0672","0.0708","","","","","","1.007","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123589","6.6545","0.0004","6.73","0.0004","14.506","0.0009","87.781","0.001","80.552","0.001","70.187","0.001","602.8","0.06","273","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-nitrophenol 4-methoxypyridine-N-oxide","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0699","0.051","","","0.1333","0.1459","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123590","9.9407","0.0005","13.6994","0.0007","15.9341","0.0008","90","","102.389","0.001","90","","2119.4","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrosalicylate N,N,N',N'-tetramethyl-1,8-napthalenediamine","","- C21 H22 N4 O7 -","- C21 H22 N4 O7 -","- C84 H88 N16 O28 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0718","0.0531","","","0.143","0.1569","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123591","12.1833","0.0005","15.084","0.0007","19.3377","0.0008","68.159","0.004","76.357","0.003","85.68","0.003","3205.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H53.59 Fe2 O14 S2 -","- C82 H53.58 Fe2 O14 S2 -","- C164 H107.16 Fe4 O28 S4 -","2","1","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0812","0.0617","","","0.1744","0.2026","","","","","","0.73","","","","has coordinates,has disorder","138204","2020-10-21","18:00:00",""
"4123592","13.4286","0.0009","9.6835","0.0006","21.6664","0.0014","90","","105.375","0.001","90","","2716.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 Si -","- C27 H39 N O4 Si -","- C108 H156 N4 O16 Si4 -","4","2","","Mizoguchi, Haruki; Micalizio, Glenn C.","Synthesis of Highly Functionalized Decalins via Metallacycle-Mediated Cross-Coupling.","Journal of the American Chemical Society","2015","137","20","6624","6628","10.1021/jacs.5b02107","","","0.71073","MoKα","","0.0504","0.0393","","","0.091","0.0979","","","","","","1.023","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123593","22.6324","0.0003","23.4125","0.0003","23.4458","0.0004","118.407","0.0015","98.4848","0.0013","93.6179","0.0011","10680.4","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.16 H128.44 Cl0.78 Mn N7.89 O P -","- C119.162 H128.437 Cl0.781 Mn N7.8855 O P -","- C476.646 H513.746 Cl3.124 Mn4 N31.542 O4 P4 -","4","2","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0996","0.0861","","","0.2439","0.2572","","","","","","1.005","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123594","17.17627","0.00019","33.6006","0.0003","19.614","0.0002","90","","101.108","0.0011","90","","11107.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.52 H130.29 Mn N10.76 O P -","- C121.524 H130.286 Mn N10.762 O P -","- C486.096 H521.144 Mn4 N43.048 O4 P4 -","4","1","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0768","0.0658","","","0.1749","0.1841","","","","","","1.043","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123595","36.551","0.005","8.0489","0.0011","21.011","0.003","90","","121.355","0.002","90","","5278.6","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C184 H184 Cl16 F24 Ir8 N24 O40 S8 -","8","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0689","0.0427","","","0.1095","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123596","9.912","0.003","9.935","0.003","11.311","0.004","83.284","0.005","76.674","0.005","87.013","0.005","1076.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","1","0.5","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0444","0.0366","","","0.0784","0.0819","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123597","11.0717","0.0008","11.9119","0.0008","13.5265","0.001","106.994","0.001","111.832","0.001","102.475","0.001","1473.95","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","1","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0251","0.0234","","","0.0604","0.061","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123598","14.8901","0.0011","12.4296","0.0009","21.2779","0.0015","90","","90.968","0.001","90","","3937.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C160 H144 Cl8 F12 Ir4 N32 O16 S4 -","4","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0377","0.0277","","","0.0627","0.0662","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123599","12.5048","0.0002","10.2076","0.0002","16.5702","0.0003","90","","105.106","0.001","90","","2042","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Co N3 -","- C22 H34 Co N3 -","- C88 H136 Co4 N12 -","4","1","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.0499","0.0421","","","0.0981","0.1031","","","","","","1.035","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123600","11.1208","0.0011","16.8515","0.0016","28.026","0.003","103.608","0.005","95.405","0.005","99.141","0.006","4992.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 B Co N3 O2 -","- C35 H49 B Co N3 O2 -","- C210 H294 B6 Co6 N18 O12 -","6","3","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.2068","0.1094","","","0.2549","0.3015","","","","","","1.037","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123601","11.6301","0.0008","14.6628","0.001","18.6681","0.0013","68.484","0.001","89.078","0.001","70.126","0.001","2763.7","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","2","","Yamashita, Hiroaki; Ikezawa, Takahiro; Kobayashi, Yoichi; Abe, Jiro","Photochromic phenoxyl-imidazolyl radical complexes with decoloration rates from tens of nanoseconds to seconds.","Journal of the American Chemical Society","2015","137","15","4952","4955","10.1021/jacs.5b02353","","","0.71073","MoKα","","0.0638","0.0429","","","0.0981","0.1061","","","","","","1.199","","","","has coordinates","138209","2020-10-21","18:00:00",""
"4123602","18.8791","0.0008","21.8851","0.001","36.4305","0.0015","90","","100.405","0.004","90","","14804.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 -","- C88 H62 -","- C704 H496 -","8","2","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","1.54184","CuKα","","0.0989","0.0743","","","0.208","0.2355","","","","","","0.999","","","","has coordinates,has disorder","138206","2020-10-21","18:00:00",""
"4123603","13.4443","0.0002","16.3732","0.0002","25.7041","0.0004","91.53","0.0012","97.5727","0.0014","112.095","0.0015","5178.94","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","1","0.5","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0377","0.0361","","","0.1047","0.1064","","","","","","1.054","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123604","11.0724","0.0003","11.5867","0.0003","12.3676","0.0004","110.731","0.003","105.499","0.003","99.599","0.002","1368.53","0.08","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","1","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0213","0.0212","","","0.0556","0.0556","","","","","","1.029","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123605","9.7091","0.0002","19.3628","0.0003","21.9984","0.0004","71.8792","0.0017","82.6473","0.0017","83.537","0.0017","3886.53","0.13","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H39 B Cu F28 Fe N7 O -","- C83 H39 B Cu F28 Fe N7 O -","- C166 H78 B2 Cu2 F56 Fe2 N14 O2 -","2","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","0.71073","MoKα","","0.0536","0.0443","","","0.12","0.126","","","","","","1.049","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123606","26.038","0.006","17.781","0.004","15.709","0.003","90","","90","","90","","7273","3","110","","110","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C336 H288 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0706","0.0662","","","0.1885","0.1925","","","","","","1.21","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123607","27.283","0.011","17.314","0.007","15.915","0.006","90","","101.566","0.007","90","","7365","5","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N2 O7 -","- C44 H36 N2 O7 -","- C352 H288 N16 O56 -","8","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.1297","0.1121","","","0.3303","0.3452","","","","","","1.056","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123608","7.901","0.004","20.348","0.009","27.634","0.013","90","","97.632","0.006","90","","4403","4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O7 -","- C46 H41 N2 O7 -","- C184 H164 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0818","0.0676","","","0.1932","0.2062","","","","","","1.103","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123609","7.978","0.003","20.339","0.007","28.091","0.001","90","","95.529","0.005","90","","4537","2","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0827","0.0697","","","0.2173","0.23","","","","","","1.083","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123610","26.2108","","17.8309","","15.8034","","90","","90","","90","","7385.91","","110","","110","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C42.1 H36.1 Cl0.3 N2 O6 -","- C42.1 H36 Cl0.4 N2 O6 -","- C336.8 H288 Cl3.2 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.085","0.078","","","0.1915","0.1963","","","","","","1.167","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123611","7.9301","0.0019","20.066","0.005","28.171","0.007","90","","95.479","0.003","90","","4462.2","1.9","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0631","0.0557","","","0.1614","0.1669","","","","","","1.086","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123612","23.148","0.007","17.385","0.005","18.182","0.004","90","","90","","90","","7317","3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42.5 H37 Cl N2 O6 -","- C42.5 H36 Cl N2 O6 -","- C340 H288 Cl8 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0698","0.0668","","","0.1873","0.191","","","","","","1.099","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123613","14.623","0.003","14.418","0.003","19.212","0.004","90","","110.272","0.003","90","","3799.7","1.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O7 -","- C46 H38 N2 O7 -","- C184 H152 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0628","0.0525","","","0.1358","0.1449","","","","","","1.03","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123614","15.709","0.004","15.886","0.004","15.961","0.004","90","","112.188","0.004","90","","3688.2","1.6","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl2 N2 O6 -","- C43 H38 Cl2 N2 O6 -","- C172 H152 Cl8 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0548","0.0449","","","0.1078","0.1144","","","","","","1.094","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123615","16.1265","0.0005","16.6649","0.0006","15.4756","0.0004","90","","91.161","0.003","90","","4158.2","0.2","302","2","302","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(dma)2[Li2Zr(ox)4]","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0359","0.0303","","","0.0832","0.0898","","","","","","1.063","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123616","16.0091","0.0008","16.6385","0.0009","15.3534","0.0007","90","","90.834","0.004","90","","4089.2","0.4","120","0.14","120","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dma2[Li2Zr(ox)4]","Lithium Zirconium Oxalate Dimethylammonium","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0376","0.0322","","","0.0903","0.0969","","","","","","1.029","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123617","8.5302","0.0006","8.5902","0.0006","16.1582","0.0012","89.309","0.006","78.004","0.006","68.812","0.006","1077.28","0.14","299","6","299","6","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethiyammonium hydrate","","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","1","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0473","0.0423","","","0.1136","0.1186","","","","","","1.069","","","","has coordinates,has disorder","138217","2020-10-21","18:00:00",""
"4123618","8.4752","0.0003","8.4797","0.0003","16.1725","0.0005","78.177","0.003","89.232","0.003","69.334","0.003","1062.21","0.07","120.05","0.1","120.05","0.1","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethylammonium","","- C12 H17 Li2 N2 O16.5 Zr -","- C12 H17 Li2 N2 O16.5 Zr -","- C24 H34 Li4 N4 O33 Zr2 -","2","2","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0532","0.0459","","","0.135","0.1517","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123619","10.301","0.0005","19.2677","0.0008","16.8297","0.0007","90","","100.001","0.002","90","","3289.5","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H80 F16 N4 Ni2 -","- C66 H80 F16 N4 Ni2 -","- C132 H160 F32 N8 Ni4 -","2","1","","Ohashi, Masato; Shirataki, Hiroshi; Kikushima, Kotaro; Ogoshi, Sensuke","Nickel-Catalyzed Formation of Fluorine-Containing Ketones via the Selective Cross-Trimerization Reaction of Tetrafluoroethylene, Ethylene, and Aldehydes.","Journal of the American Chemical Society","2015","137","20","6496","6499","10.1021/jacs.5b03587","","","0.71075","MoKα","","0.1301","0.0552","","","0.0866","0.1102","","","","","","0.983","","","","has coordinates,has disorder","138218","2020-10-21","18:00:00",""
"4123620","17.169","0.002","25.297","0.003","9.6723","0.0011","90","","90","","90","","4200.9","0.8","113","","113","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H33 Cl3 Fe Ni P2 S6 -","- C41 H33 Cl3 Fe Ni P2 S6 -","- C164 H132 Cl12 Fe4 Ni4 P8 S24 -","4","1","","Tanushi, Akira; Kusamoto, Tetsuro; Hattori, Yohei; Takada, Kenji; Nishihara, Hiroshi","Spin-reconstructed proton-coupled electron transfer in a ferrocene-nickeladithiolene hybrid.","Journal of the American Chemical Society","2015","137","20","6448","6451","10.1021/jacs.5b02118","","","0.7107","MoKα","","","0.0257","","","","0.0573","","","","","","1.078","","","","has coordinates","138221","2020-10-21","18:00:00",""
"4123621","6.7177","0.0007","27.31","0.003","11.8448","0.0009","90","","99.883","0.007","90","","2140.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0727","0.0579","","","0.1299","0.139","","","","","","1.123","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123622","9.8046","0.0009","7.4469","0.0004","11.536","0.0007","90","","107.495","0.006","90","","803.33","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0436","","","0.086","0.0922","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123623","7.6273","0.00018","13.8785","0.0004","15.3331","0.0004","90","","95.314","0.002","90","","1616.12","0.07","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.041","0.0379","","","0.0964","0.0988","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123624","7.4528","0.0004","14.995","0.003","14.995","0.003","90","","90","","90","","1675.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0654","0.0457","","","0.0824","0.0913","","","","","","1.107","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123625","9.3613","0.0003","12.1715","0.0004","17.8394","0.0006","90","","97.558","0.003","90","","2014.98","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl3 N2 O3 -","- C20 H23 Cl3 N2 O3 -","- C80 H92 Cl12 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0416","0.0363","","","0.0887","0.0925","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123626","10.0732","0.0009","7.4108","0.0003","25.386","0.002","90","","92.25","0.007","90","","1893.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl2 N2 O3 -","- C20 H24 Cl2 N2 O3 -","- C80 H96 Cl8 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0734","0.053","","","0.097","0.1056","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123627","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123628","11.54889","0.00009","8.77611","0.00007","16.11647","0.00013","90","","104.651","0.0008","90","","1580.36","0.02","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0339","0.0335","","","0.0851","0.0855","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123629","16.5205","0.0019","16.738","0.003","18.753","0.003","95.956","0.012","91.273","0.01","103.102","0.011","5017.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl6 N2 O3 -","- C21 H24 Cl6 N2 O3 -","- C168 H192 Cl48 N16 O24 -","8","4","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1309","0.0872","","","0.2172","0.256","","","","","","1.04","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123630","15.845","0.002","7.3477","0.0005","16.074","0.002","90","","90.063","0.012","90","","1871.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N2 O3.5 -","- C19 H23 N2 O3.5 -","- C76 H92 N8 O14 -","4","2","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1147","0.0933","","","0.2432","0.2605","","","","","","1.056","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123631","11.3917","0.0002","16.06981","0.00017","9.85692","0.00017","90","","117.86","0.002","90","","1595.28","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0237","0.0237","","","0.0624","0.0624","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123632","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123633","17.3461","0.0002","13.787","0.0002","7.60339","0.00011","90","","90","","90","","1818.36","0.04","140","2","140","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0355","0.0347","","","0.0963","0.0977","","","","","","1.052","","","","has coordinates,has disorder","138223","2020-10-21","18:00:00",""
"4123634","7.5454","0.0006","14.63","0.0015","16.0308","0.0013","90","","90","","90","","1769.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0474","","","0.1076","0.1119","","","","","","1.092","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123635","8.4071","0.0005","11.7277","0.0006","16.3593","0.001","90","","102.232","0.006","90","","1576.34","0.16","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0388","0.0374","","","0.099","0.1002","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123636","22.98","0.003","6.6493","0.0012","16.198","0.0019","90","","125.389","0.01","90","","2017.8","0.6","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C28 H36 -","- C28 H36 -","- C112 H144 -","4","0.5","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1195","0.0545","","","0.1349","0.1737","","","","","","0.823","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123637","12.2783","0.0018","6.565","0.0007","13.424","0.002","90","","112.714","0.017","90","","998.1","0.3","293","2","293","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 -","- C14 H18 -","- C56 H72 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1088","0.055","","","0.1425","0.1676","","","","","","0.902","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123638","23.135","0.003","6.5721","0.0007","14.9065","0.0018","90","","128.095","0.011","90","","1783.7","0.5","293","2","293","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C28 H36 -","- C24 H32 -","- C96 H128 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.0889","0.0528","","","0.1261","0.1452","","","","","","0.818","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123639","16.5265","0.0005","17.3446","0.0005","28.1866","0.0009","90","","90","","90","","8079.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H61 N4 O7.5 -","- C38 H61 N4 O7.5 -","- C304 H488 N32 O60 -","8","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","CuKα","","0.054","0.0405","","","0.0917","0.1","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123640","12.0179","0.0019","17.559","0.004","26.124","0.004","90","","90","","90","","5512.7","1.7","100","","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.22 H88.54 Cl0.89 N5 O8 -","- C52.2156 H88.539 Cl0.8922 N5 O8 -","- C208.862 H354.156 Cl3.5688 N20 O32 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","K-L~3~","0.0317","0.0315","","","0.0807","0.0809","","","","","","1.097","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123641","11.5447","0.0004","14.2478","0.0005","17.4006","0.0006","96.227","0.002","108.46","0.0018","105.904","0.0018","2550.47","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52.11 H71.78 Cl2.44 N4 O7 -","- C52.1034 H71.7585 Cl2.4483 N4 O7 -","- C104.207 H143.517 Cl4.8966 N8 O14 -","2","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","0.71073","MoKα","","0.0937","0.0546","","","0.126","0.1433","","","","","","1.02","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123642","11.9161","0.0008","27.097","0.004","25.5162","0.0016","90","","97.111","0.004","90","","8175.6","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77.57 H112.32 Cl4.82 N6 O9 -","- C77.6046 H112.412 Cl4.7988 N6 O9 -","- C310.418 H449.646 Cl19.1952 N24 O36 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.059","0.0573","","","0.1475","0.1488","","","","","","1.062","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123643","13.4361","0.0018","18.178","0.003","22.458","0.003","90","","100.534","0.009","90","","5392.7","1.4","100","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H87 N5 O9 -","- C50 H87 N5 O9 -","- C200 H348 N20 O36 -","4","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0939","0.0894","","","0.2495","0.2606","","","","","","0.967","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123644","22.772","0.003","14.5752","0.0011","25.663","0.003","90","","103.502","0.013","90","","8282.3","1.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C70 H97 Cl3 N6 O10 -","- C70.006 H97.007 Cl3 N6 O10 -","- C280.024 H388.028 Cl12 N24 O40 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0732","0.0631","","","0.168","0.1764","","","","","","1.034","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123645","25.5011","0.0004","25.5011","0.0004","11.0911","0.0002","90","","90","","120","","6246.3","0.18","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H59 Br N4 O7 -","- C38 H59 Br N4 O7 -","- C228 H354 Br6 N24 O42 -","6","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","Cu-Kα","","0.0425","0.041","","","0.1074","0.1083","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123646","12.2709","0.0007","14.4105","0.0007","20.9053","0.0009","90","","101.099","0.001","90","","3627.5","0.3","198","2","198","2","","","","","","","","6","P 1 n 1","P -2yac","7","jg04apr13","","","- C48 H118 Li6 N12 O10 P4 -","- C48 H118 Li6 N12 O10 P4 -","- C96 H236 Li12 N24 O20 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.0699","0.054","","","0.1521","0.1661","","","","","","1.015","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123647","12.28","0.002","12.436","0.002","22.118","0.004","94.906","0.006","104.544","0.006","101.318","0.007","3173.4","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","jg11mar13","","","- C44 H100 Li4 N12 O8 P4 -","- C44 H100 Li4 N12 O8 P4 -","- C88 H200 Li8 N24 O16 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1109","0.0781","","","0.2108","0.2373","","","","","","1.011","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123648","12.2344","0.0014","15.055","0.0019","32.394","0.003","90","","90","","90","","5966.6","1.2","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H98 Li4 N9 O7 P3 -","- C42 H98 Li4 N9 O7 P3 -","- C168 H392 Li16 N36 O28 P12 -","4","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1025","0.0952","","","0.2489","0.2591","","","","","","2.208","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123649","14.5732","0.0005","16.2543","0.0006","16.4636","0.0006","72.9946","0.0016","69.1536","0.0017","78.171","0.0016","3462.9","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H52 B F24 N4 P2 Rh -","- C73 H51.198 B F23.894 N4 P2 Rh -","- C146 H102.396 B2 F47.788 N8 P4 Rh2 -","2","1","","Roberts, Courtney C.; Matías, Desirée M; Goldfogel, Matthew J.; Meek, Simon J.","Lewis Acid activation of carbodicarbene catalysts for rh-catalyzed hydroarylation of dienes.","Journal of the American Chemical Society","2015","137","20","6488","6491","10.1021/jacs.5b03510","","","1.54178","CuKα","","0.0352","0.0336","","","0.1117","0.1139","","","","","","1.019","","","","has coordinates,has disorder","138224","2020-10-21","18:00:00",""
"4123650","27.551","0.004","27.551","0.004","7.1879","0.0011","90","","90","","120","","4725.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Fe2(DSBDC)","","","- C7 H8 Fe N O3.25 S -","- C7 H8 Fe N O3.25167 S -","- C126 H144 Fe18 N18 O58.53 S18 -","18","1","","Sun, Lei; Hendon, Christopher H.; Minier, Mikael A.; Walsh, Aron; Dincă, Mircea","Million-Fold Electrical Conductivity Enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O).","Journal of the American Chemical Society","2015","137","19","6164","6167","10.1021/jacs.5b02897","","","0.71073","MoKα","","0.1402","0.0686","","","0.1881","0.2233","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123651","23.081","0.002","5.6219","0.0006","27.444","0.004","90","","113.475","0.002","90","","3266.4","0.7","100","2","100.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 F N -","- C22 H18 F N -","- C176 H144 F8 N8 -","8","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0892","0.0559","","","0.1171","0.1323","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123652","12.539","0.003","18.204","0.004","19.354","0.004","90","","92.174","0.005","90","","4414.6","1.7","100","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 N4 Ni -","- C53 H58 N4 Ni -","- C212 H232 N16 Ni4 -","4","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0666","0.0426","","","0.0969","0.1068","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123653","9.91","0.008","10.638","0.009","11.59","0.009","66.662","0.014","68.065","0.013","63.042","0.012","971.5","1.4","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H21 N -","- C27 H21 N -","- C54 H42 N2 -","2","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0601","0.0442","","","0.1036","0.1123","","","","","","1.026","","","","has coordinates,has disorder","138243","2020-10-21","18:00:00",""
"4123654","34.7235","0.0017","10.4104","0.0005","9.2568","0.0004","90","","96.3367","0.0014","90","","3325.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 N O3 S -","- C36 H55 N O3 S -","- C144 H220 N4 O12 S4 -","4","1","","Rao, Weidong; Susanti, Dewi; Ayers, Benjamin James; Chan, Philip Wai Hong","Ligand-controlled product selectivity in gold-catalyzed double cycloisomerization of 1,11-dien-3,9-diyne benzoates.","Journal of the American Chemical Society","2015","137","19","6350","6355","10.1021/jacs.5b02377","","","0.71073","MoKα","","0.0677","0.0514","","","0.1296","0.1389","","","","","","1.013","","","","has coordinates","138244","2020-10-21","18:00:00",""
"4123655","9.8243","0.0005","11.9643","0.0007","20.2965","0.001","104.725","0.003","97.998","0.003","97.617","0.003","2249.5","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H45 F3 Fe O2 P2 Pd Si -","- C50 H45 F3 Fe O2 P2 Pd Si -","- C100 H90 F6 Fe2 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0857","0.0481","","","0.0968","0.1118","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123656","10.7826","0.0007","17.1122","0.0011","12.4527","0.0008","90","","115.206","0.004","90","","2078.9","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 O2 P2 Pd Si -","- C46 H44 O2 P2 Pd Si -","- C92 H88 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.033","0.0287","","","0.0646","0.0667","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123657","38.9379","0.0014","10.9293","0.0005","18.3057","0.0008","90","","99.21","0.003","90","","7689.8","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O2 P2 Pd Si -","- C42 H44 O2 P2 Pd Si -","- C336 H352 O16 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0713","0.0372","","","0.0746","0.0868","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123658","10.3193","0.0006","10.8718","0.0006","20.9256","0.0011","93.377","0.001","96.21","0.001","95.557","0.001","2317.2","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 O2 P2 Pd Si -","- C52 H55 O2 P2 Pd Si -","- C104 H110 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0479","0.033","","","0.0731","0.0777","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123659","25.0154","0.0013","11.3144","0.0006","22.0186","0.0011","90","","109.649","0.002","90","","5869.1","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 F O2 P Pd Si -","- C27 H44 F O2 P Pd Si -","- C216 H352 F8 O16 P8 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0429","0.0281","","","0.0611","0.0668","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123660","12.5239","0.0003","12.6398","0.0004","15.2157","0.0004","90.909","0.002","105.17","0.001","103.595","0.002","2251.87","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 O2 P2 Pd Si -","- C52 H50 O2 P2 Pd Si -","- C104 H100 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0522","0.0353","","","0.0778","0.0847","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123661","16.4333","0.0012","13.7339","0.0011","14.8331","0.0012","90","","116.82","0.003","90","","2987.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl2 N2 O W -","- C31 H36 Cl2 N2 O W -","- C124 H144 Cl8 N8 O4 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0343","0.0265","","","0.0591","0.0616","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123662","11.7504","0.0012","21.999","0.002","16.676","0.002","90","","103.918","0.003","90","","4184.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Cl N2 O2 W -","- C49 H49 Cl N2 O2 W -","- C196 H196 Cl4 N8 O8 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.1311","0.0543","","","0.0706","0.08","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123663","11.2691","0.0006","13.0224","0.0007","16.5658","0.0009","103.326","0.003","96.653","0.003","102.402","0.003","2275.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H55 Cl2 N2 O2 P W -","- C43 H55 Cl2 N2 O2 P W -","- C86 H110 Cl4 N4 O4 P2 W2 -","2","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0478","0.0351","","","0.0975","0.1064","","","","","","1.046","","","","has coordinates,has disorder","138246","2020-10-21","18:00:00",""
"4123664","18.3311","0.0008","15.7359","0.0007","23.3815","0.001","90","","90","","90","","6744.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H39 Cl F6 N2 O2 W -","- C35 H39 Cl F6 N2 O2 W -","- C280 H312 Cl8 F48 N16 O16 W8 -","8","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0941","0.0403","","","0.0639","0.071","","","","","","1.033","","","","has coordinates","138246","2020-10-21","18:00:00",""
"4123665","6.94","0.0004","12.1429","0.0007","11.5499","0.0006","90","","93.316","0.002","90","","971.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-116B","sarpong79","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0256","0.0254","","","0.067","0.0672","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123666","7.3713","0.0003","10.8358","0.0005","11.8516","0.0005","90","","91.104","0.002","90","","946.46","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-165","sarpong88","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0385","0.0359","","","0.0917","0.0935","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123667","7.8391","0.0003","7.8391","0.0003","30.7247","0.0012","90","","90","","90","","1888.08","0.13","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AM02","sarpong71","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0337","0.0331","","","0.0901","0.0906","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123668","7.7371","0.0004","7.7371","0.0004","30.9059","0.0014","90","","90","","90","","1850.11","0.16","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","AM-I-17","sarpong56","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.1146","0.0832","","","0.171","0.1907","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123669","8.294","0.0004","9.0364","0.0004","12.17","0.0006","90","","90","","90","","912.12","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","AM-I-116A","sarpong78","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0278","0.0277","","","0.0723","0.0724","","","","","","1.091","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123670","20.722","0.004","20.722","0.004","20.722","0.004","90","","90","","90","","8898","3","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Ge24 S48 -","- Ge24 S48 -","- Ge48 S96 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1089","0.0814","","","0.2155","0.2512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123671","11.2152","0.0002","11.2152","0.0002","19.1197","0.0007","90","","90","","90","","2404.89","0.11","296","2","296","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge8 S16 -","- Ge8 S16 -","- Ge16 S32 -","2","0.125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0997","0.0485","","","0.126","0.1477","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123672","23.361","0.009","23.361","0.009","39.239","0.015","90","","90","","90","","21414","14","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ge128 S257.61 Zn3.2 -","- Ge128 S256 -","- Ge128 S256 -","1","0.03125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.2863","0.0908","","","0.2298","0.2594","","","","","","0.97","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123673","21.524","0.0002","21.524","0.0002","11.116","0.0002","90","","90","","90","","5149.85","0.11","296","2","296","2","","","","","","","","2","I -4","I -4","82","","","","- Ge4 S8 -","- Ge4 S8 -","- Ge32 S64 -","8","1","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0976","0.0568","","","0.1557","0.1675","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123674","22.4297","0.0008","22.4297","0.0008","22.4297","0.0008","90","","90","","90","","11284.2","0.7","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.114","0.061","","","0.167","0.1968","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123675","22.614","0.0006","22.614","0.0006","22.614","0.0006","90","","90","","90","","11564.6","0.5","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1673","0.0835","","","0.2063","0.2783","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123676","7.3179","0.0006","23.2967","0.0017","14.4155","0.0013","90","","90","","90","","2457.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C36 H24 -","- C36 H24 -","- C144 H96 -","4","1","","Mohamed, Rana K.; Mondal, Sayantan; Gold, Brian; Evoniuk, Christopher J.; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.","Journal of the American Chemical Society","2015","137","19","6335","6349","10.1021/jacs.5b02373","","","0.71073","MoKα","","0.0721","0.0532","","","0.1372","0.1503","","","","","","1.013","","","","has coordinates","138249","2020-10-21","18:00:00",""
"4123677","7.388","0.0015","10.3745","0.0019","10.8099","0.0019","107.355","0.008","107.255","0.008","106.126","0.008","691.6","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 P Se2 -","- C14 H15 P Se2 -","- C28 H30 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.0481","0.0326","","","0.0652","0.0707","","","","","","0.983","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123678","7.6709","0.0017","9.404","0.002","10.484","0.002","106.421","0.008","104.69","0.007","106.308","0.008","649.1","0.2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 P Se2 -","- C13 H13 P Se2 -","- C26 H26 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.043","0.0294","","","0.0444","0.0467","","","","","","0.949","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123679","24.988","0.003","12.6951","0.0017","12.3953","0.0019","90","","108.173","0.012","90","","3736","0.9","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 Al F6 O5 -","- C17 H8 Al F6 O5 -","- C136 H64 Al8 F48 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.23","0.0975","","","0.2376","0.3062","","","","","","0.862","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123680","25.375","0.0013","13.1271","0.0006","13.1893","0.0006","90","","107.305","0.003","90","","4194.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 F6 In O5 -","- C18 H10 F6 In O5 -","- C144 H80 F48 In8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1263","0.0761","","","0.1879","0.2552","","","","","","1.025","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123681","12.151","0.0006","21.9509","0.0011","17.7959","0.0009","90","","95.241","0.003","90","","4726.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound6","","","- C51 H71 Fe N4 Si -","- C51 H71 Fe N4 Si -","- C204 H284 Fe4 N16 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","1.54178","CuKα","","0.0349","0.0311","","","0.0822","0.0854","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123682","11.0373","0.0005","23.9854","0.0009","18.3141","0.0008","90","","102.689","0.002","90","","4730","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound5","","","- C42 H62 Fe K N3 Si -","- C42 H62 Fe K N3 Si -","- C168 H248 Fe4 K4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.064","0.0527","","","0.1402","0.1461","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123683","13.2902","0.001","16.1855","0.0012","22.2958","0.0016","105.593","0.004","105.549","0.004","90.749","0.004","4431.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IPr-ClFe-N(SiMe3)DIPP","","","- C42 H62 Cl Fe N3 Si -","- C42 H62 Cl Fe N3 Si -","- C168 H248 Cl4 Fe4 N12 Si4 -","4","2","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.1018","0.08","","","0.2095","0.2235","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123684","13.5867","0.001","18.2296","0.0014","17.4115","0.0012","90","","93.663","0.004","90","","4303.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound1","","","- C42 H62 Fe N3 Si -","- C42 H62 Fe N3 Si -","- C168 H248 Fe4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.0371","0.0311","","","0.0752","0.0783","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123685","5.9129","0.0001","7.8545","0.0002","31.0943","0.0008","90","","91.527","0.001","90","","1443.6","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Park, Jeong-Il; Chung, Jong Won; Kim, Joo-Young; Lee, Jiyoul; Jung, Ji Young; Koo, Bonwon; Lee, Bang-Lin; Lee, Soon W.; Jin, Yong Wan; Lee, Sang Yoon","Dibenzothiopheno[6,5-b:6',5'-f]thieno[3,2-b]thiophene (DBTTT): High-Performance Small-Molecule Organic Semiconductor for Field-Effect Transistors.","Journal of the American Chemical Society","2015","137","38","12175","12178","10.1021/jacs.5b01108","","","0.71073","MoKα","","0.0941","0.0738","","","0.1626","0.172","","","","","","1.152","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123686","16.0574","0.0005","19.2846","0.0005","25.5466","0.0007","90","","90","","90","","7910.8","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H46 O P2 Pd Si -","- C44 H46 O P2 Pd Si -","- C352 H368 O8 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.1202","0.0428","","","0.0683","0.0903","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123687","19.9632","0.0011","11.8061","0.0006","21.5367","0.0012","90","","111.315","0.003","90","","4728.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 O P2 Pd Si -","- C56 H53 O P2 Pd Si -","- C224 H212 O4 P8 Pd4 Si4 -","4","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.0557","0.037","","","0.0861","0.0954","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123688","9.5684","0.0003","14.1184","0.0005","33.0217","0.001","102.271","0.002","92.338","0.002","90.158","0.002","4355.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","1.54178","CuKα","","0.1031","0.0828","","","0.2363","0.2713","","","","","","1.039","","","","has coordinates","138255","2020-10-21","18:00:00",""
"4123689","10.4205","0.0015","15.529","0.002","16.859","0.002","100.331","0.004","107.656","0.003","91.586","0.004","2547.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br2 N O3 -","- C29 H21 Br2 N O3 -","- C116 H84 Br8 N4 O12 -","4","2","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","0.71073","MoKα","","0.1718","0.0585","","","0.1197","0.1672","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123690","5.6858","0.0012","7.8358","0.0017","14.314","0.003","91.607","0.005","95.157","0.004","90.745","0.005","634.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0716","0.0505","","","0.1326","0.1468","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123691","14.6838","0.0019","5.5897","0.0007","16.502","0.002","90","","106.256","0.003","90","","1300.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0551","0.0468","","","0.1341","0.1421","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123692","18.1426","0.0014","11.3329","0.0009","21.2381","0.0015","90","","96.273","0.003","90","","4340.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 Ni O2 -","- C56 H48 N4 Ni O2 -","- C224 H192 N16 Ni4 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0746","0.0455","","","0.1022","0.115","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123693","10.2826","0.0009","8.166","0.0007","16.8783","0.0015","90","","105.643","0.002","90","","1364.7","0.2","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H35 B F4 O5 P Rh -","- C26 H35 B F4 O5 P Rh -","- C52 H70 B2 F8 O10 P2 Rh2 -","2","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","0.71073","MoKα","","0.0631","0.0442","","","0.0765","0.0874","","","","","","0.994","","","","has coordinates","138230","2020-10-21","18:00:00",""
"4123694","9.5606","0.0014","9.5606","0.0014","37.597","0.008","90","","90","","90","","3436.6","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H25 B N O3.5 -","- C16 H25 B N O3.5 -","- C128 H200 B8 N8 O28 -","8","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","1.54178","CuKα","","0.0465","0.0457","","","0.1361","0.1375","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123695","16.4929","0.0014","19.9021","0.0016","22.3353","0.0018","100.322","0.002","98.56","0.002","106.549","0.002","6756.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 F6 N4 O12 P Rh -","- C40 H44 F6 N4 O12 P Rh -","- C240 H264 F36 N24 O72 P6 Rh6 -","6","3","","Chan, Alan Kwun-Wa; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah","Supramolecular assembly of isocyanorhodium(i) complexes: an interplay of rhodium(i)···rhodium(i) interactions, hydrophobic-hydrophobic interactions, and host-guest chemistry.","Journal of the American Chemical Society","2015","137","21","6920","6931","10.1021/jacs.5b03396","","","0.71073","MoKα","","0.171","0.0664","","","0.1381","0.1925","","","","","","0.993","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123696","8.2102","0.0002","14.7226","0.0004","20.9185","0.0005","82.407","0.001","85.752","0.001","84.643","0.001","2490.53","0.11","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 F8 Si2 -","- C54 H66 F8 Si2 -","- C108 H132 F16 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.051","0.0434","","","0.1117","0.1161","","","","","","1.12","","","","has coordinates","138233","2020-10-21","18:00:00",""
"4123697","5.8978","0.0002","14.1866","0.0004","26.4214","0.0008","78.673","0.002","84.728","0.002","84.507","0.002","2151.6","0.12","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","0.71073","MoKα","","0.1459","0.0994","","","0.2692","0.2894","","","","","","1.131","","","","has coordinates,has disorder","138233","2020-10-21","18:00:00",""
"4123698","11.7476","0.0002","12.571","0.0002","15.1412","0.0003","90","","105.977","0.001","90","","2149.67","0.07","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","0.5","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.117","0.0809","","","0.1916","0.234","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123699","22.068","0.002","8.1388","0.0007","15.9847","0.0015","90","","100.791","0.0017","90","","2820.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H46 Cu N6 O7 -","- C23 H46 Cu N6 O7 -","- C92 H184 Cu4 N24 O28 -","4","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.065","0.0556","","","0.1367","0.1414","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123700","11.9851","0.0019","16.023","0.003","26.249","0.004","90","","90","","90","","5040.8","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Cu N6 O7 -","- C21 H40 Cu N6 O7 -","- C168 H320 Cu8 N48 O56 -","8","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.7107","MoKα","","0.0932","0.0701","","","0.1342","0.1421","","","","","","1.321","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123701","13.082","0.003","6.8151","0.0016","19.224","0.004","90","","93.616","0.007","90","","1710.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Cu N6 O6 -","- C22 H38 Cu N6 O6 -","- C44 H76 Cu2 N12 O12 -","2","0.5","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.0987","0.0635","","","0.1532","0.166","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123702","12.335","0.003","8.8033","0.0018","23.422","0.005","90","","93.884","0.006","90","","2537.5","1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 B -","- C34 H31 B -","- C136 H124 B4 -","4","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.0954","0.0558","","","0.1236","0.145","","","","","","1.001","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123703","12.6565","0.0017","13.0782","0.0018","18.276","0.002","69.789","0.004","69.814","0.003","88.371","0.004","2650.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H79 B K O9 -","- C58 H79 B K O9 -","- C116 H158 B2 K2 O18 -","2","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.209","0.0792","","","0.1631","0.2131","","","","","","0.935","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123704","13.5255","0.001","17.0049","0.0014","13.7893","0.0011","90","","111.515","0.003","90","","2950.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 B2 K O8 -","- C62 H88 B2 K O8 -","- C124 H176 B4 K2 O16 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1","0.0582","","","0.1267","0.1461","","","","","","1.082","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123705","8.3467","0.0019","10.442","0.002","14.843","0.003","109.364","0.006","94.604","0.007","92.908","0.007","1212.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1537","0.0636","","","0.1368","0.1682","","","","","","0.884","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123706","12.9795","0.0015","13.2467","0.0015","14.3049","0.0016","113.322","0.003","105.449","0.003","100.815","0.004","2054.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.174","0.1141","","","0.3084","0.3496","","","","","","1.042","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123707","11.3195","0.0007","15.4749","0.001","26.2562","0.0014","90","","95.0742","0.0018","90","","4581.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H148 B2 Li2 O12 -","- C100 H148 B2 Li2 O12 -","- C200 H296 B4 Li4 O24 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1092","0.0569","","","0.1432","0.1737","","","","","","1.02","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123708","9.0598","0.0012","14.023","0.002","16.598","0.003","90","","90","","90","","2108.7","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br3 N O2 -","- C19 H24 Br3 N O2 -","- C76 H96 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.0415","","","","0.1129","","","","","","0.649","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123709","7.46","0.001","9.0181","0.0012","22.359","0.003","90","","90","","90","","1504.2","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br3 N O2 -","- C15 H8 Br3 N O2 -","- C60 H32 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.036","","","","0.0802","","","","","","1.077","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123710","8.3582","0.0011","8.3582","0.0011","10.6098","0.0015","90","","90","","120","","641.89","0.15","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Cesium_Germanium_Iodide","","","- Cs Ge I3 -","- Cs Ge I3 -","- Cs3 Ge3 I9 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0278","0.0273","","","0.0586","0.0587","","","","","","1.232","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123711","8.5534","0.0013","8.5534","0.0013","11.162","0.002","90","","90","","120","","707.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Methylammonium_Germanium_Iodide","","","- C H6 Ge I3 N -","- C Ge I3 N -","- C3 Ge3 I9 N3 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0382","0.0366","","","0.0533","0.0536","","","","","","1.366","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123712","8.4669","0.0015","8.4669","0.0015","11.729","0.002","90","","90","","120","","728.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Formamidinium_Germanium_Iodide","","","- C H5 Ge I3 N2 -","- C Ge I3 N1.99 -","- C3 Ge3 I9 N5.97 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0332","0.027","","","0.0485","0.051","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123713","12.5627","0.0005","9.3403","0.0004","14.8345","0.0007","90","","112.996","0.003","90","","1602.34","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium_Germanium_Iodide","","","- C2 H7 Ge I3 N2 -","- C2 H7 Ge I3 N2 -","- C12 H42 Ge6 I18 N12 -","6","3","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.037","0.027","","","0.0518","0.0539","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123714","9.2308","0.0009","7.3399","0.0004","17.974","0.002","90","","120.65","0.008","90","","1047.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Guanidinium_Germanium_Iodide","","","- C H6 Ge I3 N3 -","- C H6 Ge I3 N3 -","- C4 H24 Ge4 I12 N12 -","4","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.05","0.0412","","","0.1031","0.1074","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123715","15.9457","0.0013","15.9457","0.0013","7.7504","0.0007","90","","90","","120","","1706.6","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","trimethylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C18 Ge6 I18 N6 -","6","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1076","0.0692","","","0.1692","0.1922","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123716","7.9004","0.0003","7.9004","0.0003","36.988","0.002","90","","90","","90","","2308.65","0.18","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","isopropylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C24 Ge8 I24 N8 -","8","0.5","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1018","0.0825","","","0.1439","0.1526","","","","","","1.254","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123717","26.5086","0.0006","26.5086","0.0006","5.1903","0.0003","90","","90","","90","","3647.3","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0956","0.0513","","","0.1018","0.1147","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123718","26.633","0.004","26.633","0.004","5.1305","0.0004","90","","90","","90","","3639.1","0.8","296","2","296","2","190000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0941","0.0855","","","0.2287","0.248","","","","","","1.126","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123719","26.564","0.005","26.564","0.005","5.024","0.0006","90","","90","","90","","3545.2","1","296","2","296","2","520000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1263","0.0949","","","0.2399","0.2663","","","","","","1.217","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123720","26.522","0.003","26.522","0.003","4.9344","0.0015","90","","90","","90","","3470.9","1.2","296","2","296","2","940000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1956","0.1074","","","0.2471","0.3052","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123721","26.684","0.007","26.684","0.007","4.701","0.003","90","","90","","90","","3347","2","296","2","296","2","1040000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.258","0.1154","","","0.288","0.3856","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123722","27.253","0.003","27.253","0.003","4.1475","0.0013","90","","90","","90","","3080.5","1.1","296","2","296","2","1410000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2374","0.1407","","","0.3466","0.3996","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123723","27.7477","0.0014","27.7477","0.0014","3.7669","0.0005","90","","90","","90","","2900.3","0.4","296","2","296","2","1960000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1569","0.0791","","","0.1877","0.2389","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123724","27.8114","0.0012","27.8114","0.0012","3.6899","0.0004","90","","90","","90","","2854","0.4","296","2","296","2","2400000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0695","","","0.172","0.1985","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123725","27.7471","0.0009","27.7471","0.0009","3.6323","0.0003","90","","90","","90","","2796.5","0.3","296","2","296","2","2760000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0944","0.0722","","","0.179","0.1966","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123726","27.7529","0.0012","27.7529","0.0012","3.6022","0.0003","90","","90","","90","","2774.5","0.3","296","2","296","2","3180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.109","0.071","","","0.1653","0.2004","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123727","27.7069","0.0013","27.7069","0.0013","3.5719","0.0003","90","","90","","90","","2742","0.3","296","2","296","2","3580000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0916","0.0699","","","0.1862","0.2159","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123728","27.6922","0.0013","27.6922","0.0013","3.5492","0.0003","90","","90","","90","","2721.7","0.3","296","2","293","2","3820000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0832","0.0621","","","0.1556","0.1721","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123729","27.6968","0.0014","27.6968","0.0014","3.5351","0.0003","90","","90","","90","","2711.8","0.3","296","2","296","2","4060000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0908","0.0654","","","0.1503","0.1752","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123730","26.5757","0.0009","26.5757","0.0009","5.2077","0.0003","90","","90","","90","","3678","0.3","296","2","296","2","100000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1018","0.0747","","","0.1847","0.2146","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123731","26.4701","0.0013","26.4701","0.0013","5.1884","0.0005","90","","90","","90","","3635.3","0.4","296","2","296","2","340000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1197","0.0682","","","0.1811","0.215","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123732","26.2621","0.0008","26.2621","0.0008","5.1856","0.0003","90","","90","","90","","3576.5","0.3","296","2","296","2","630000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0846","0.0679","","","0.1777","0.1959","","","","","","1.097","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123733","26.152","0.0007","26.152","0.0007","5.1356","0.0003","90","","90","","90","","3512.4","0.2","296","2","296","2","1130000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1113","0.0688","","","0.1653","0.1921","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123734","26.297","0.002","26.297","0.002","4.9766","0.0007","90","","90","","90","","3441.5","0.6","296","2","296","2","1380000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1085","0.066","","","0.1463","0.1733","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123735","26.3388","0.0008","26.3388","0.0008","4.856","0.0004","90","","90","","90","","3368.8","0.3","296","2","296","2","1710000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0885","0.0678","","","0.1733","0.1916","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123736","26.421","0.0011","26.421","0.0011","4.7117","0.0005","90","","90","","90","","3289.1","0.4","296","2","296","2","2300000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0727","","","0.192","0.2306","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123737","26.558","0.003","26.558","0.003","4.6212","0.0015","90","","90","","90","","3259.5","1.2","296","2","296","2","2870000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2485","0.0994","","","0.2414","0.3193","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123738","26.533","0.002","26.533","0.002","4.5396","0.0009","90","","90","","90","","3195.9","0.7","296","2","296","2","3430000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1614","0.0936","","","0.2209","0.2685","","","","","","1.173","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123739","26.528","0.004","26.528","0.004","4.498","0.0016","90","","90","","90","","3165.4","1.3","296","2","296","2","4010000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1987","0.1006","","","0.2413","0.2983","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123740","26.5634","0.0007","26.5634","0.0007","5.1954","0.0002","90","","90","","90","","3665.9","0.2","296","2","296","2","20000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.088","0.0768","","","0.2274","0.2493","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123741","26.5471","0.0012","26.5471","0.0012","5.1352","0.0004","90","","90","","90","","3619","0.4","296","2","296","2","180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1216","0.0677","","","0.164","0.1955","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123742","26.423","0.003","26.423","0.003","5.0845","0.0013","90","","90","","90","","3549.9","1.1","296","2","296","2","460000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1333","0.0732","","","0.1739","0.2129","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123743","26.262","0.004","26.262","0.004","5.071","0.002","90","","90","","90","","3497.4","1.6","296","2","296","2","680000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.17","0.088","","","0.2441","0.2943","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123744","26.082","0.006","26.082","0.006","5.053","0.002","90","","90","","90","","3437.4","1.8","296","2","296","2","1080000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.4125","0.1571","","","0.3649","0.4974","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123745","17.392","0.0012","17.392","0.0012","18.982","0.0012","90","0.001","90","0.001","90","0.001","5741.7","0.7","293","2","293","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H147 Cl4 Mo12 N4 O40 P Zn4 -","- C64 H144 Cl4 Mo12 N4 O40 P Zn4 -","- C128 H288 Cl8 Mo24 N8 O80 P2 Zn8 -","2","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71069","MoKα","","0.0552","0.0392","","","0.0988","0.1079","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123746","48.928","0.0013","48.928","0.0013","48.928","0.0012","90","0.001","90","0.001","90","0.001","117131","5","293","2","293","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C84 H168 Mo12 N3 O66 P Zn4 -","- C36 H20 Mo12 O48 P Zn4 -","- C864 H480 Mo288 O1152 P24 Zn96 -","24","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.209","0.0693","","","0.1664","0.2045","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123747","28.8818","0.0013","27.4017","0.0013","26.7889","0.0012","90","","104.86","0.001","90","","20492","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H118 Mo12 N3 O46 P Zn4 -","- C63 H115 Mo12 N3 O46 P Zn4 -","- C504 H920 Mo96 N24 O368 P8 Zn32 -","8","1","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.065","0.0461","","","0.1357","0.1509","","","","","","1.04","","","","has coordinates,has disorder","141354","2020-10-21","18:00:00",""
"4123748","12.8654","0.0008","18.9405","0.001","24.2937","0.0014","111.777","0.004","90.52","0.005","90.037","0.005","5497.1","0.6","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H66 -","- C70 H66 -","- C280 H264 -","4","2","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","1.54178","CuKα","","0.1413","0.1022","","","0.2703","0.315","","","","","","1.139","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123749","16.3401","0.0009","10.918","0.0007","27.3803","0.0015","90","","121.225","0.003","90","","4177.1","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Cl18 D6 O4 -","- C80 H76 Cl18 D6 O4 -","- C160 H152 Cl36 D12 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.1508","0.0937","","","0.2551","0.2868","","","","","","1.435","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123750","13.9753","0.0009","15.459","0.0009","10.9343","0.0008","90","","101.803","0.002","90","","2312.3","0.3","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cl2 O4 -","- C63 H46 Cl2 O4 -","- C126 H92 Cl4 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.0962","0.0566","","","0.1322","0.1504","","","","","","1.024","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123751","19.4461","0.0011","21.3569","0.0011","40.01","0.002","102.186","0.0013","96.8631","0.0016","98.1991","0.0015","15882.7","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C204 H210 B12 N6 O12 -","- C185.4 H170.9 B12 N6 O12 -","- C370.8 H341.8 B24 N12 O24 -","2","1","","Ono, Kosuke; Johmoto, Kohei; Yasuda, Nobuhiro; Uekusa, Hidehiro; Fujii, Shintaro; Kiguchi, Manabu; Iwasawa, Nobuharu","Self-Assembly of Nanometer-Sized Boroxine Cages from Diboronic Acids.","Journal of the American Chemical Society","2015","137","22","7015","7018","10.1021/jacs.5b02716","","","0.78305","Synchrotron","","0.3317","0.2163","","","0.5394","0.5818","","","","","","1.501","","","","has coordinates","140111","2020-10-21","18:00:00",""
"4123752","5.1594","0.0002","11.0274","0.0006","15.274","0.0008","83.31","0.004","87.657","0.004","83.128","0.004","856.57","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0657","0.044","","","0.1103","0.1242","","","","","","1.037","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123753","5.1011","0.0003","10.8715","0.0009","15.2363","0.0008","83.132","0.005","85.982","0.004","83.032","0.005","831.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0854","0.0523","","","0.1166","0.1358","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123754","5.1812","0.0003","10.742","0.0006","15.1224","0.0006","82.466","0.004","84.928","0.004","82.691","0.005","825.41","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca O8 Xe1.45 -","- C34 H20 Ca O8 Xe1.454 -","- C34 H20 Ca O8 Xe1.454 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0568","0.0423","","","0.1018","0.1112","","","","","","1.03","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123755","5.1161","0.0003","10.8239","0.0004","15.2598","0.0004","82.99","0.002","85.885","0.003","83.05","0.004","831.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca Kr0.51 O8 -","- C34 H20 Ca Kr0.507 O8 -","- C34 H20 Ca Kr0.507 O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0562","0.0483","","","0.1259","0.1328","","","","","","1.067","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123756","11.5108","0.0005","14.3754","0.0006","43.5215","0.0018","90","","90","","90","","7201.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 Li3 O11 Pr -","- C84 H80 Li3 O11 Pr -","- C336 H320 Li12 O44 Pr4 -","4","1","","Robinson, Jerome R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Exchange Processes in Shibasaki's Rare Earth Alkali Metal BINOLate Frameworks and Their Relevance in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2015","137","22","7135","7144","10.1021/jacs.5b02201","","","0.71073","MoKα","","0.0384","0.0351","","","0.0734","0.0745","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123757","14.58438","0.000014","14.58438","0.000014","12.22262","0.000017","90","","90","","120","","2251.49","0.004","150","3","150","3","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al9 B18 Cl2 O65.24 -","- Al9 B18 Cl2 O65.2452 -","- Al18 B36 Cl4 O130.49 -","2","0.166667","","Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang","PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD.","Journal of the American Chemical Society","2015","137","22","7047","7050","10.1021/jacs.5b03685","","","0.82613","synchrotron","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4123758","16.5692","0.001","16.5692","0.001","18.2847","0.0011","90","","90","","120","","4347.3","0.5","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C51 H48 I6 Mn6 N12 O20 -","- C51 H45 Mn6 N12 O20 -","- C102 H90 Mn12 N24 O40 -","2","0.166667","","Nguyen, Tu N.; Shiddiq, Muhandis; Ghosh, Tuhin; Abboud, Khalil A.; Hill, Stephen; Christou, George","Covalently Linked Dimer of Mn3 Single-Molecule Magnets and Retention of Its Structure and Quantum Properties in Solution.","Journal of the American Chemical Society","2015","137","22","7160","7168","10.1021/jacs.5b02677","","","0.71073","MoKα","","0.0615","0.0496","","","0.1315","0.1383","","","","","","1.063","","","","has coordinates","140103","2020-10-21","18:00:00",""
"4123759","7.1122","0.0009","24.368","0.003","11.4583","0.0015","90","","90.141","0.004","90","","1985.8","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N2 S3 -","- C26 H14 N2 S3 -","- C104 H56 N8 S12 -","4","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.236","","","","0.5826","","","","","","2.406","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123760","11.7242","0.0002","8.21002","0.0001","46.3771","0.0009","90","","90","","90","","4464.07","0.13","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O S3 -","- C27 H18 N2 O S3 -","- C216 H144 N16 O8 S24 -","8","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.0472","","","","0.1038","","","","","","1.083","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123761","10.3888","0.0004","34.9174","0.0014","11.0842","0.0004","90","","108.356","0.001","90","","3816.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H49 F3 N2 O3 P2 Pd S -","- C39 H49 F3 N2 O3 P2 Pd S -","- C156 H196 F12 N8 O12 P8 Pd4 S4 -","4","2","","Walker, Whitney K.; Kay, Benjamin M.; Michaelis, Scott A.; Anderson, Diana L.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Origin of Fast Catalysis in Allylic Amination Reactions Catalyzed by Pd-Ti Heterobimetallic Complexes.","Journal of the American Chemical Society","2015","137","23","7371","7378","10.1021/jacs.5b02428","","","0.71073","MoKα","","0.0178","0.0176","","","0.045","0.045","","","","","","1.11","","","","has coordinates","141359","2020-10-21","18:00:00",""
"4123762","33.477","0.004","36.36","0.004","20.252","0.002","90","","90","","90","","24651","5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C148 H172 N41.3 O73.1 Pd6 -","- C148 H172 N41.296 O73.096 Pd6 -","- C592 H688 N165.184 O292.384 Pd24 -","4","1","","Takezawa, Hiroki; Akiba, Shouta; Murase, Takashi; Fujita, Makoto","Cavity-Directed Chromism of Phthalein Dyes.","Journal of the American Chemical Society","2015","137","22","7043","7046","10.1021/jacs.5b03618","","","0.71073","MoKα","","0.0906","0.074","","","0.2011","0.2217","","","","","","1.08","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123763","7.4336","0.0003","8.2693","0.0003","18.5884","0.0007","90","","90","","90","","1142.64","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 I O3 -","- C11 H11 I O3 -","- C44 H44 I4 O12 -","4","1","","Vara, Brandon A.; Struble, Thomas J.; Wang, Weiwei; Dobish, Mark C.; Johnston, Jeffrey N.","Enantioselective Small Molecule Synthesis by Carbon Dioxide Fixation using a Dual Brønsted Acid/Base Organocatalyst.","Journal of the American Chemical Society","2015","137","23","7302","7305","10.1021/jacs.5b04425","","","0.71073","MoKα","","0.0152","0.0148","","","0.0376","0.0378","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123764","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Melvin, Jason E.; Gonzales, Stephen S.; Spafford, Matthew J.; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acid D.","Journal of the American Chemical Society","2015","137","22","7095","7098","10.1021/jacs.5b04728","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123765","4.7459","0.0005","12.7204","0.0015","13.5624","0.0015","77.046","0.002","86.923","0.004","89.175","0.004","796.77","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.113","0.0572","","","0.1242","0.1423","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123766","8.3909","0.0003","16.0715","0.0006","17.1821","0.0007","69.335","0.002","81.159","0.003","89.378","0.003","2139.88","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N2 O8 -","- C56 H42 N2 O8 -","- C112 H84 N4 O16 -","2","1","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.1371","0.0649","","","0.15","0.1722","","","","","","0.968","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123767","4.6336","0.0005","8.8667","0.001","14.3227","0.0015","76.02","0.004","87.317","0.005","82.441","0.004","565.98","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.122","0.0496","","","0.1064","0.1247","","","","","","0.896","","","","has coordinates","140106","2020-10-21","18:00:00",""
"4123768","11.426","0.0006","12.5211","0.0005","14.2417","0.001","66.875","0.005","71.497","0.005","68.005","0.005","1702.42","0.18","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H84 Cl4 Ir2 Mg N6 O14 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71073","MoKα","","0.0535","0.0425","","","0.0952","0.1155","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123769","14.734","0.004","19.6979","0.0004","22.2797","0.0016","90","","109.413","0.008","90","","6098.6","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C200 H256 Cl16 F48 Ir8 N24 O24 P8 -","8","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.0223","0.0195","","","0.0383","0.039","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123770","9.6999","0.0002","13.7566","0.0003","22.4829","0.0016","90","","93.829","0.007","90","","2993.4","0.2","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C100 H128 Cl8 F24 Ir4 N12 O12 P4 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.024","0.0204","","","0.0431","0.0441","","","","","","1.14","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123771","7.5486","0.0015","16.115","0.003","17.618","0.004","102.73","0.03","94.37","0.03","100.05","0.03","2043.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H15 F15 Ge N4 O2 -","- C39 H15 F15 Ge N4 O2 -","- C78 H30 F30 Ge2 N8 O4 -","2","2","","Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa","The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","22","7122","7127","10.1021/jacs.5b01121","","","0.71073","MoKα","","0.0698","0.0666","","","0.1714","0.1757","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123772","8.7906","0.0007","13.0704","0.001","15.0622","0.0012","104.497","0.001","98.215","0.001","90.056","0.001","1657.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Hg N8 Se4 -","- C32 H30 Hg N8 Se4 -","- C64 H60 Hg2 N16 Se8 -","2","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.1123","0.081","","","0.1831","0.1869","","","","","","1.848","","","","has coordinates","137974","2020-10-21","18:00:00",""
"4123773","14.0994","0.0017","15.2939","0.0019","10.1211","0.0012","90","","92.8","0.002","90","","2179.9","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C64 H64 Hg4 I8 N16 Se8 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0251","0.0218","","","0.0516","0.0525","","","","","","1.093","","","","has coordinates","137975","2020-10-21","18:00:00",""
"4123774","12.8918","0.0014","14.5673","0.0015","19","0.002","90","","94.939","0.002","90","","3554.9","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 Hg N8 Se4 -","- C32 H32 Cl2 Hg N8 Se4 -","- C128 H128 Cl8 Hg4 N32 Se16 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0684","0.0409","","","0.0617","0.0688","","","","","","1.011","","","","has coordinates","137976","2020-10-21","18:00:00",""
"4123775","16.884","0.002","8.4266","0.0011","30.211","0.004","90","","90","","90","","4298.3","0.9","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C128 H128 Hg8 I16 N32 Se16 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0904","0.0502","","","0.1081","0.1216","","","","","","0.988","","","","has coordinates","137977","2020-10-21","18:00:00",""
"4123776","35.08","0.04","7.555","0.009","17.7","0.02","90","","90.84","0.03","90","","4691","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H80 Cl4 N O9 -","- C47 H61 Cl4 N O9 -","- C188 H244 Cl16 N4 O36 -","4","1","","Xiao, Qing; Young, Kyle; Zakarian, Armen","Total synthesis and structural revision of (+)-muironolide a.","Journal of the American Chemical Society","2015","137","18","5907","5910","10.1021/jacs.5b03531","","","0.71073","MoKα","","0.2745","0.1496","","","0.3445","0.423","","","","","","1.129","","","","has coordinates","137978","2020-10-21","18:00:00",""
"4123777","9.3536","0.0011","11.4987","0.0013","11.6776","0.0012","61.283","0.003","74.902","0.004","78.669","0.004","1059.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H0 N2 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0683","0.0436","","","0.1026","0.1198","","","","","","1.053","","","","has coordinates","137979","2020-10-21","18:00:00",""
"4123778","9.993","0.003","11.519","0.004","11.598","0.004","67.142","0.006","86.465","0.007","83.25","0.007","1221.5","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H34 O5 -","- C28 H34 O5 -","- C56 H68 O10 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0823","0.0543","","","0.1186","0.1358","","","","","","1.034","","","","has coordinates","137980","2020-10-21","18:00:00",""
"4123779","22.6828","0.0017","10.5143","0.0007","23.5935","0.0018","90","","101.484","0.003","90","","5514.3","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C256 H272 O48 -","8","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0751","0.0597","","","0.164","0.1768","","","","","","1.052","","","","has coordinates,has disorder","137981","2020-10-21","18:00:00",""
"4123780","10.2794","0.0006","24.4539","0.0013","11.2795","0.0006","90","","92.034","0.003","90","","2833.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0552","0.0448","","","0.1075","0.1153","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123781","14.7729","0.0016","17.2564","0.0015","17.9954","0.0016","79.451","0.005","84.068","0.006","70.419","0.005","4244.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C192 H224 N16 Ni8 Si4 -","4","2","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","0.71073","MoKα","","0.1124","0.0585","","","0.1464","0.1677","","","","","","0.961","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123782","28.029","0.002","14.9549","0.0006","22.436","0.002","90","","112.481","0.003","90","","8689.8","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C384 H448 N32 Ni16 Si8 -","8","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.138","0.0467","","","0.081","0.1031","","","","","","0.78","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123783","8.336","0.0005","14.5421","0.0005","16.3083","0.0006","77.782","0.002","86.567","0.004","77.599","0.004","1886.87","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 Ni2 Si -","- C40 H56 N4 Ni2 Si -","- C80 H112 N8 Ni4 Si2 -","2","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.0491","0.0468","","","0.1345","0.1376","","","","","","1.135","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123784","26.621","0.007","14.879","0.004","27.483","0.007","90","","90.101","0.007","90","","10886","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C378 H432 F48 N64 O86 Ru24 S16 -","4","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.1406","0.0715","","","0.1516","0.1828","","","","","","0.969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123785","16.1775","0.0003","16.6309","0.0003","17.1767","0.0003","99.285","0.001","114.258","0.001","104.744","0.001","3884.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","1","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2348","0.0825","","","0.1786","0.2362","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123786","26.577","0.002","26.577","0.002","59.934","0.004","90","","90","","120","","36662","5","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C397 H585 Cl12 N51 O87 -","- C397 H561 Cl11.94 N51 O87 -","- C1191 H1683 Cl35.82 N153 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.2234","0.1138","","","0.2938","0.3461","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123787","26.449","0.007","26.449","0.007","59.41","0.03","90","","90","","120","","35992","2","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C396 H564 Cl9 N39 O87 -","- C396.03 H495.09 Cl9 N39 O87 -","- C1188.09 H1485.27 Cl27 N117 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.1864","0.0913","","","0.2397","0.2791","","","","","","0.801","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123788","8.581","0.0003","9.1263","0.0004","24.3122","0.0011","92.037","0.003","91.652","0.003","110.704","0.004","1778.13","0.14","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.5418","CuKα","","0.0501","0.0426","","","0.1147","0.1213","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123789","24.7884","0.0005","4.9779","0.00009","20.9526","0.0004","90","","104.037","0.002","90","","2508.23","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H30 Cl N O5 -","- C27.5 H29 Cl N O5 -","- C110 H116 Cl4 N4 O20 -","4","1","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.54184","CuKα","","0.0457","0.0429","","","0.1132","0.1162","","","","","","1.004","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123790","8.2394","0.0005","16.8092","0.0007","10.9777","0.0005","90","","106.356","0.002","90","","1458.86","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TL-1-2","","","- C15 H14 F3 N O3 S -","- C14 H14 F3 N O3 S -","- C56 H56 F12 N4 O12 S4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0434","0.0382","","","0.0915","0.0944","","","","","","1.095","","","","has coordinates","137990","2020-10-21","18:00:00",""
"4123791","6.1326","0.0004","27.1761","0.0014","8.9213","0.0005","90","","103.651","0.001","90","","1444.82","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F7 I N O -","- C13 H9 F7 I N O -","- C52 H36 F28 I4 N4 O4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0498","0.0493","","","0.1166","0.1168","","","","","","1.224","","","","has coordinates","137991","2020-10-21","18:00:00",""
"4123792","10.0394","0.0003","10.2786","0.0004","12.2513","0.0005","89.019","0.003","80.442","0.003","75.736","0.003","1207.87","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","1","0.5","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0491","0.0414","","","0.1141","0.12","","","","","","1.106","","","","has coordinates","137992","2020-10-21","18:00:00",""
"4123793","9.1457","0.0007","9.4389","0.0009","9.693","0.0008","99.622","0.003","116.183","0.003","97.613","0.003","719.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C28 H38 N2 O10 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0531","0.043","","","0.1134","0.1259","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123794","9.9057","0.001","10.7324","0.0011","12.5346","0.0014","108.396","0.003","93.92","0.004","101.374","0.003","1227.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O9 -","- C23 H33 N O9 -","- C46 H66 N2 O18 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0623","0.0427","","","0.0992","0.1095","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123795","15.4759","0.001","12.6368","0.0008","12.476","0.0008","90","","100.839","0.003","90","","2396.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O8 -","- C23 H31 N O8 -","- C92 H124 N4 O32 -","4","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","1.54178","CuKα","","0.041","0.0356","","","0.1048","0.1082","","","","","","1.657","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123796","16.116","0.003","26.333","0.005","12.366","0.003","90","","100.46","0.03","90","","5160.7","1.9","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C208 H264 N8 O64 -","8","4","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.1583","0.1106","","","0.2444","0.2632","","","","","","1.481","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123797","9.1841","0.0007","12.3092","0.0009","12.8385","0.0009","66.599","0.005","74.656","0.006","70.773","0.005","1242.61","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H20 Br2 -","- C36 H20 Br2 -","- C72 H40 Br4 -","2","1","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","0.71073","MoKα","","0.0597","0.0361","","","0.0808","0.0967","","","","","","1.037","","","","has coordinates","137997","2020-10-21","18:00:00",""
"4123798","7.4715","0.0006","5.8406","0.0005","20.5248","0.0017","90","","95.799","0.003","90","","891.08","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N -","- C23 H20 Br N -","- C46 H40 Br2 N2 -","2","1","","Zhao, Chenfei; Seidel, Daniel","Enantioselective a(3) reactions of secondary amines with a cu(i)/acid-thiourea catalyst combination.","Journal of the American Chemical Society","2015","137","14","4650","4653","10.1021/jacs.5b02071","","","0.71073","MoKα","","0.0928","0.0669","","","0.1273","0.1383","","","","","","1","","","","has coordinates","137998","2020-10-21","18:00:00",""
"4123799","6.085","0.0004","23.7722","0.0015","11.9955","0.0007","90","","103.126","0.0008","90","","1689.86","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0572","0.0476","","","0.121","0.1278","","","","","","1.029","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123800","8.3551","0.0007","8.8733","0.0008","12.5301","0.0011","76.5162","0.001","74.1344","0.001","80.8092","0.0011","864.34","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0502","0.0412","","","0.1004","0.1064","","","","","","1.062","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123801","14.2403","0.0007","18.9818","0.0009","20.7746","0.0013","90","","103.839","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H75 Fe2 N4 P4 S Si2 -","- C54 H75 Fe2 N4 P4 S Si2 -","- C216 H300 Fe8 N16 P16 S4 Si8 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0726","0.046","","","0.106","0.1182","","","","","","1.08","","","","has coordinates","141360","2020-10-21","18:00:00",""
"4123802","16.5053","0.001","16.6824","0.001","18.8438","0.0011","73.269","0.002","77.147","0.002","88.109","0.002","4841.8","0.5","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C80 H80 B F24 Fe2 N4 O2 P4 S Si2 -","- C86 H87 B F24 Fe2 N4 P4 S Si2 -","- C172 H174 B2 F48 Fe4 N8 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1746","0.0805","","","0.1761","0.202","","","","","","0.93","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123803","13.3999","0.0006","15.4526","0.0007","21.3794","0.0009","72.636","0.002","73.491","0.003","77.74","0.003","4011.4","0.3","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C140 H214 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0462","0.0325","","","0.0789","0.0827","","","","","","1.047","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123804","46.201","0.006","14.4217","0.0017","35.447","0.004","90","","114.858","0.003","90","","21430","4","101","2","101","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C936 H1056 Cl16 Fe16 N8 P48 S8 Si16 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.074","0.0461","","","0.086","0.0943","","","","","","1.008","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123805","13.6501","0.0004","19.5046","0.0007","20.8033","0.0006","90","","90","","90","","5538.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H76 Fe2 O2 P4 S Si2 -","- C55 H76 Fe2 O2 P4 S Si2 -","- C220 H304 Fe8 O8 P16 S4 Si8 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1359","0.066","","","0.1183","0.1368","","","","","","1.012","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123806","14.2749","0.0008","18.9396","0.001","20.7859","0.0011","90","","104.011","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H37.5 Cl0.1 Fe N2 P2 S0.5 Si -","- C27 H37.5 Cl0.151 Fe N1.698 P2 S0.5 Si -","- C216 H300 Cl1.208 Fe8 N13.584 P16 S4 Si8 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1101","0.0566","","","0.0976","0.1115","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123807","14.5315","0.0005","14.5632","0.0006","23.5306","0.0009","80.861","0.001","85.585","0.001","61.516","0.001","4321.3","0.3","100","2","99.97","","","","","","","","","9","P -1","-P 1","2","","","","- C72 H75 Fe2 N4 Na O8.5 P4 S Si2 -","- C70 H75 Fe2 N4 Na O8 P4 S Si2 -","- C140 H150 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1256","0.0806","","","0.2463","0.2716","","","","","","1.152","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123808","17.349","0.004","17.563","0.004","23.855","0.005","90","","90","","90","","7269","3","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Fe2 N6 O9 -","- C62 H68 Fe2 N6 O9 -","- C248 H272 Fe8 N24 O36 -","4","1","","Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin","Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide.","Journal of the American Chemical Society","2015","137","24","7869","7880","10.1021/jacs.5b03925","","","0.71073","MoKα","","0.0816","0.0696","","","0.1796","0.1876","","","","","","1.043","","","","has coordinates,has disorder","140124","2020-10-21","18:00:00",""
"4123809","12.8381","0.001","13.7456","0.001","23.3799","0.0016","84.519","0.003","80.511","0.003","64.036","0.003","3657.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.33 H22.67 Au Cl0.67 F4 P -","- C26.3333 H22.6667 Au Cl0.666667 F4 P -","- C158 H136 Au6 Cl4 F24 P6 -","6","3","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.03","0.0218","","","0.0396","0.0419","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123810","9.8032","0.0007","13.4073","0.0009","18.8219","0.0013","88.155","0.001","89.724","0.002","75.745","0.001","2396.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Br F3 P -","- C26 H22 Au Br F3 P -","- C104 H88 Au4 Br4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0297","0.028","","","0.0722","0.0727","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123811","9.7809","0.0005","13.4014","0.0007","18.6278","0.001","88.639","0.001","89.945","0.001","75.539","0.001","2363.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Cl F3 P -","- C26 H22 Au Cl F3 P -","- C104 H88 Au4 Cl4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0585","0.0412","","","0.0894","0.0994","","","","","","1.07","","","","has coordinates","140127","2020-10-21","18:00:00",""
"4123812","14.634","0.0005","20.4371","0.0006","8.1543","0.0003","90","","96.873","0.003","90","","2421.23","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N2 -","- C12 H10 Br2 N2 -","- C96 H80 Br16 N16 -","8","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0677","0.0406","","","0.0888","0.1024","","","","","","1.035","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123813","7.9059","0.0005","12.0886","0.0007","14.4605","0.0009","98.694","0.005","98.987","0.005","107.194","0.005","1275.2","0.15","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0568","0.0489","","","0.1269","0.1369","","","","","","1.056","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123814","7.8983","0.0006","14.439","0.0008","16.3846","0.0009","90","","90","","90","","1868.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B Br N2 -","- C21 H20 B Br N2 -","- C84 H80 B4 Br4 N8 -","4","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0433","0.0409","","","0.1057","0.1126","","","","","","1.118","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123815","7.8679","0.0004","12.1091","0.0006","14.4027","0.0008","100.757","0.004","96.057","0.005","107.155","0.004","1269.12","0.12","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0599","0.0377","","","0.0918","0.107","","","","","","1.023","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123816","30.582","0.003","30.582","0.003","30.582","0.003","90","","90","","90","","28602","5","123","","123","","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H42 N6 O12 Rb1.4 -","- C60 H42 N6 O12 Rb1.398 -","- C480 H336 N48 O96 Rb11.184 -","8","0.166667","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Matsushita, Michio M.; Tsuchiizu, Masahisa; Reta Mañeru, Daniel; Illas, Francesc; Robert, Vincent; Awaga, Kunio","Discovery of the K4 Structure Formed by a Triangular π Radical Anion.","Journal of the American Chemical Society","2015","137","24","7612","7615","10.1021/jacs.5b04180","","","0.71075","MoKα","","0.1341","0.1217","","","0.3413","0.3552","","","","","","1.22","","","","has coordinates","140123","2020-10-21","18:00:00",""
"4123817","8.0146","0.0001","16.3445","0.0003","23.5016","0.0017","90","","93.394","0.007","90","","3073.2","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F5 N2 Ni -","- C35 H37 F5 N2 Ni -","- C140 H148 F20 N8 Ni4 -","4","1","","Nett, Alex J.; Zhao, Wanxiang; Zimmerman, Paul M.; Montgomery, John","Highly Active Nickel Catalysts for C-H Functionalization Identified through Analysis of Off-Cycle Intermediates.","Journal of the American Chemical Society","2015","137","24","7636","7639","10.1021/jacs.5b04548","","","1.54178","CuKα","","0.1068","0.1049","","","0.2497","0.251","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123818","6.737","0.003","12.384","0.005","14.328","0.006","90","","90","","90","","1195.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zhu, Chendan; Liang, Yong; Hong, Xin; Sun, Heqing; Sun, Wei-Yin; Houk, K. N.; Shi, Zhuangzhi","Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","24","7564","7567","10.1021/jacs.5b03488","","","0.71073","MoKα","","0.0755","0.0627","","","0.1562","0.1649","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123819","8.209","0.0011","9.9163","0.0013","27.474","0.004","90","","90","","90","","2236.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DHM6-170C","toste126","","- C25 H28 N4 O2 -","- C25 H28 N4 O2 -","- C100 H112 N16 O8 -","4","1","","Miles, Dillon H.; Guasch, Joan; Toste, F. Dean","A Nucleophilic Strategy for Enantioselective Intermolecular α-Amination: Access to Enantioenriched α-Arylamino Ketones.","Journal of the American Chemical Society","2015","137","24","7632","7635","10.1021/jacs.5b04518","","","1.54178","CuKα","","0.0286","0.0284","","","0.0747","0.0749","","","","","","1.068","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123820","13.5851","0.0013","26.924","0.003","27.669","0.003","90","","90","","90","","10120.4","1.8","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C424 H524 Ag8 B4 F16 Fe8 N16 O84 S4 -","4","1","","Yamagishi, Hiroshi; Fukino, Takahiro; Hashizume, Daisuke; Mori, Tadashi; Inoue, Yoshihisa; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo","Metal-Organic Nanotube with Helical and Propeller-Chiral Motifs Composed of a C10-Symmetric Double-Decker Nanoring.","Journal of the American Chemical Society","2015","137","24","7628","7631","10.1021/jacs.5b04386","","","0.71073","MoKα","","0.1854","0.0877","","","0.222","0.2821","","","","","","1.005","","","","has coordinates,has disorder","140128","2020-10-21","18:00:00",""
"4123821","16.6004","0.0005","26.8286","0.0008","11.536","0.0003","90","","109.228","0.002","90","","4851.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 Co N5 -","- C51 H67 Co N5 -","- C204 H268 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0694","0.052","","","0.122","0.1305","","","","","","1.044","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123822","16.0184","0.0007","19.8059","0.0008","32.6528","0.0014","90","","90","","90","","10359.4","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C50 H64 Co N4 O -","- C50 H64 Co N4 O -","- C400 H512 Co8 N32 O8 -","8","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0974","0.0789","","","0.1916","0.2025","","","","","","1.103","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123823","11.7099","0.0002","13.5494","0.0002","21.0167","0.0004","90","","106.02","0.001","90","","3205.06","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Co N5 -","- C35 H47 Co N5 -","- C140 H188 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0308","0.0291","","","0.0748","0.0762","","","","","","1.048","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123824","12.5215","0.0003","13.1868","0.0003","14.6751","0.0003","88.51","0.001","65.856","0.001","61.762","0.001","1905.24","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H51 Co N5 -","- C41 H51 Co N5 -","- C82 H102 Co2 N10 -","2","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0517","0.0489","","","0.1293","0.1314","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123825","16.1752","0.0005","15.4059","0.0005","17.8232","0.0005","90","","100.562","0.002","90","","4366.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Co N6 -","- C41 H55 Co N6 -","- C164 H220 Co4 N24 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.077","0.0646","","","0.1388","0.1485","","","","","","1.104","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123826","10.5018","0.0005","11.2362","0.0005","13.3464","0.0006","90","","103.031","0.001","90","","1534.32","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Au2 Cl2 O P2 -","- C8 H20 Au2 Cl2 O P2 -","- C32 H80 Au8 Cl8 O4 P8 -","4","1","","Cano, Israel; Huertos, Miguel A.; Chapman, Andrew M.; Buntkowsky, Gerd; Gutmann, Torsten; Groszewicz, Pedro B.; van Leeuwen, Piet W. N. M.","Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect.","Journal of the American Chemical Society","2015","137","24","7718","7727","10.1021/jacs.5b02802","","","0.71073","MoKα","","0.0331","0.0245","","","0.0492","0.0517","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123827","5.3403","0.0001","12.4724","0.0002","17.188","0.0003","90","","91.564","0.002","90","","1144.4","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl3 N2 O5 S -","- C19 H21 Cl3 N2 O5 S -","- C38 H42 Cl6 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.04","0.0388","","","0.1025","0.104","","","","","","1.023","","","","has coordinates,has disorder","140122","2020-10-21","18:00:00",""
"4123828","8.1064","0.0001","7.8428","0.0001","12.2165","0.0002","90","","100.67","0.002","90","","763.258","0.019","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C28 H36 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.0215","0.0214","","","0.0559","0.0561","","","","","","1.053","","","","has coordinates","140122","2020-10-21","18:00:00",""
"4123829","10.6155","0.0016","16.2","0.0019","18.744","0.003","77.434","0.009","78.685","0.01","76.387","0.009","3021.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AMS2033","AMS2033","","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C122 H154 Cu4 D12 F6 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.2103","0.088","","","0.1645","0.2076","","","","","","1.016","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123830","12.3797","0.0009","15.7949","0.001","34.928","0.003","90","","90","","90","","6829.7","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","mu_09_128","mu_09_128","","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C268 H364 Cl8 Cu8 F12 N16 O12 S4 -","4","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.0572","0.0461","","","0.1099","0.1164","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123831","10.2769","0.0009","15.7138","0.0013","10.6026","0.0009","90","","102.538","0.005","90","","1671.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Mu_09_130","Mu_09_130_0ma","","- C38 H51 Cu N2 -","- C38 H51 Cu N2 -","- C76 H102 Cu2 N4 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0656","0.0698","","","","","","1.043","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123832","10.375","0.0005","17.0501","0.0009","17.5973","0.0008","80.046","0.003","86.037","0.003","79.985","0.003","3016.8","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","AMS2069","AMS2069_0m","","- C61 H82 Cu2 F4 N4 O3 S -","- C61 H82 Cu2 F4 N4 O3 S -","- C122 H164 Cu4 F8 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0793","0.0454","","","0.102","0.1149","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123833","7.4262","0.0005","7.6495","0.0005","16.8263","0.0011","85.0988","0.0018","79.0498","0.0018","68.9663","0.0018","875.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 Au Cl N5 O3 -","- C14 H23 Au Cl N5 O3 -","- C28 H46 Au2 Cl2 N10 O6 -","2","1","","MacLeod, Michelle J.; Johnson, Jeremiah A.","PEGylated N-Heterocyclic Carbene Anchors Designed To Stabilize Gold Nanoparticles in Biologically Relevant Media.","Journal of the American Chemical Society","2015","137","25","7974","7977","10.1021/jacs.5b02452","","","0.71073","MoKα","","0.0254","0.022","","","0.0537","0.0551","","","","","","1.042","","","","has coordinates","140117","2020-10-21","18:00:00",""
"4123834","7.7356","0.0001","8.7328","0.0002","14.9794","0.0011","98.463","0.007","96.208","0.007","107.975","0.008","939.27","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 B F6 N6 Ni -","- C17 H15 B F6 N6 Ni -","- C34 H30 B2 F12 N12 Ni2 -","2","1","","Bour, James R.; Camasso, Nicole M.; Sanford, Melanie S.","Oxidation of Ni(II) to Ni(IV) with Aryl Electrophiles Enables Ni-Mediated Aryl-CF3 Coupling.","Journal of the American Chemical Society","2015","137","25","8034","8037","10.1021/jacs.5b04892","","","1.54178","CuKα","","0.0291","0.0283","","","0.0697","0.0702","","","","","","1.042","","","","has coordinates,has disorder","140119","2020-10-21","18:00:00",""
"4123835","15.962","0.0013","14.8361","0.0012","20.3317","0.0017","90","","94.782","0.002","90","","4798.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 O6 Si -","- C55 H68 O6 Si -","- C220 H272 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.132","0.0793","","","0.2184","0.2583","","","","","","1.055","","","","has coordinates,has disorder","140113","2020-10-21","18:00:00",""
"4123836","12.6391","0.001","14.6059","0.0011","15.1308","0.0012","118.732","0.002","91.087","0.002","98.099","0.002","2412.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H70 O6 Si -","- C56 H70 O6 Si -","- C112 H140 O12 Si2 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.0906","0.0563","","","0.1384","0.1599","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123837","11.0266","0.0002","13.483","0.0002","11.3181","0.0002","90","","91.664","0.001","90","","1681.97","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H52 O6 -","- C40 H52 O6 -","- C80 H104 O12 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","1.54178","CuKα","","0.0507","0.0499","","","0.1422","0.1439","","","","","","1.109","","","","has coordinates","140113","2020-10-21","18:00:00",""
"4123838","12.024","0.001","26.231","0.002","15.7584","0.0015","90","","94.182","0.002","90","","4957","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H67 O6 Si -","- C58 H67 O6 Si -","- C232 H268 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1246","0.0828","","","0.2309","0.2556","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123839","17.8087","0.0017","9.8394","0.001","23.122","0.002","90","","111.454","0.002","90","","3770.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 O5 Si -","- C43 H52 O5 Si -","- C172 H208 O20 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1491","0.0847","","","0.212","0.2528","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123840","5.9718","0.0004","23.3972","0.0015","31.439","0.002","90","","90","","90","","4392.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.061","0.054","","","0.1327","0.1375","","","","","","1.056","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123841","10.589","0.002","18.969","0.003","22.599","0.004","101.307","0.005","91.648","0.004","90.034","0.005","4449.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","4","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.2413","0.141","","","0.3289","0.3833","","","","","","1.033","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123842","8.8426","0.0006","25.5012","0.0017","11.6106","0.0008","90","","106.505","0.001","90","","2510.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N2 O3 Rh S -","- C26 H28 Cl N2 O3 Rh S -","- C104 H112 Cl4 N8 O12 Rh4 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0324","0.028","","","0.0722","0.075","","","","","","1.049","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123843","13.253","0.0012","10.5434","0.0009","16.5128","0.0016","90","","106.525","0.002","90","","2212.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C100 H112 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0656","0.0494","","","0.1385","0.1515","","","","","","1.049","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123844","12.6929","0.0013","9.423","0.001","21.301","0.002","90","","97.139","0.003","90","","2528","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N3 O3 S -","- C27 H33 N3 O3 S -","- C108 H132 N12 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.1409","0.0611","","","0.1262","0.1561","","","","","","0.965","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123845","18.6822","0.0018","8.2868","0.0008","12.9862","0.0013","90","","91.616","0.002","90","","2009.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0543","0.0432","","","0.1163","0.1262","","","","","","1.019","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123846","9.9288","0.0009","25.914","0.002","11.2914","0.0009","90","","115.624","0.002","90","","2619.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0782","0.0543","","","0.1376","0.1554","","","","","","1.026","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123847","7.8485","0.0007","12.1086","0.001","13.3166","0.0012","79.414","0.002","88.737","0.002","81.606","0.002","1230.65","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O2 S -","- C30 H30 N2 O2 S -","- C60 H60 N4 O4 S2 -","2","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0526","0.0399","","","0.1071","0.1169","","","","","","1.018","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123848","8.2286","0.0004","15.3312","0.0006","10.0438","0.0004","90","","110.881","0.0018","90","","1183.86","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0303","0.028","","","0.0726","0.0742","","","","","","1.047","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123849","7.2575","0.0017","19.844","0.005","9.142","0.002","90","","99.336","0.005","90","","1299.2","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 N2 O8 Rh2 -","- C20 H30 Cl2 N2 O8 Rh2 -","- C40 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","1.54178","CuKα","","0.0362","0.0362","","","0.0937","0.0938","","","","","","1.115","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123850","8.9328","0.0003","13.8493","0.0004","12.2908","0.0003","90","","101.453","0.002","90","","1490.26","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0535","0.0405","","","0.096","0.1029","","","","","","1.042","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123851","12.291","0.002","12.302","0.002","15.856","0.003","89.987","0.004","89.989","0.004","81.769","0.004","2372.8","0.7","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C52 H40 F6 Fe N4 O6 S2 -","- C52 H40 F6 Fe N4 O6 S2 -","- C104 H80 F12 Fe2 N8 O12 S4 -","2","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","2.749","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123852","14.662","0.002","19.556","0.003","16.74","0.003","90","","92.645","0.002","90","","4794.7","1.3","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 Cu F6 N4 O7 S2 -","- C50 H44 Cu F6 N4 O7 S2 -","- C200 H176 Cu4 F24 N16 O28 S8 -","4","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0832","","","","0.0663","","","","","","1.353","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123853","13.543","0.003","15.836","0.003","21.53","0.004","90","","90","","90","","4617.5","1.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H37 F6 Mn N5 O6 S2 -","- C48 H37 F6 Mn N5 O6 S2 -","- C192 H148 F24 Mn4 N20 O24 S8 -","4","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.033","","","","0.03","","","","","","3.618","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123854","12.856","0.019","12.866","0.018","15.7","0.03","90","","108.793","0.017","90","","2458","7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 N4 O4 Ru -","- C48 H40 N4 O4 Ru -","- C96 H80 N8 O8 Ru2 -","2","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.71075","MoKα","","","0.213","","","","0.5208","","","","","","1.859","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123855","11.0292","0.0014","11.0292","0.0014","40.254","0.005","90","","90","","90","","4896.6","1.1","93.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 F12 N6 O P2 Ru -","- C52 H49 F12 N6 O P2 Ru -","- C208 H196 F48 N24 O4 P8 Ru4 -","4","0.5","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0443","","","","0.0584","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123856","9.6882","0.0003","13.0841","0.0003","21.5222","0.0003","90","","90","","90","","2728.18","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl2 Co F3 N5 P2 -","- C22 H34 Cl2 Co F3 N5 P2 -","- C88 H136 Cl8 Co4 F12 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0451","0.036","","","0.0694","0.0714","","","","","","0.981","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123857","10.2011","0.0004","12.1886","0.0004","20.9518","0.0008","90","","90","","90","","2605.09","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl2 Co N5 P2 -","- C21 H35 Cl2 Co N5 P2 -","- C84 H140 Cl8 Co4 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.062","0.0524","","","0.1086","0.1117","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123858","9.3814","0.0002","13.5379","0.0003","21.3231","0.0006","90","","90","","90","","2708.13","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Cl2 Co N5 O P2 -","- C20 H41 Cl2 Co N5 O P2 -","- C80 H164 Cl8 Co4 N20 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0715","0.0501","","","0.1133","0.1211","","","","","","0.958","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123859","12.2051","0.0005","12.7514","0.0006","19.5704","0.0008","90","","90","","90","","3045.8","0.2","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H31 Cl2 Co N3 O P2 -","- C32 H31 Cl2 Co N3 O P2 -","- C128 H124 Cl8 Co4 N12 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0894","0.0565","","","0.0876","0.0949","","","","","","0.917","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123860","16.1656","0.0009","15.8476","0.0006","17.5006","0.0009","90","","116.713","0.004","90","","4004.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Co N7 P2 -","- C26 H39 Co N7 P2 -","- C104 H156 Co4 N28 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.089","0.0615","","","0.163","0.1733","","","","","","1.054","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123861","10.997","0.002","11.726","0.002","24.103","0.005","100.01","0.03","92.79","0.03","100.5","0.03","2999.2","1.1","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H87 B Cu2 F3 N9 O5 S -","- C59 H87 B Cu2 F3 N9 O5 S -","- C118 H174 B2 Cu4 F6 N18 O10 S2 -","2","1","","Kindermann, Nicole; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Proton-Induced, Reversible Interconversion of a μ-1,2-Peroxo and a μ-1,1-Hydroperoxo Dicopper(II) Complex.","Journal of the American Chemical Society","2015","137","25","8002","8005","10.1021/jacs.5b04361","","","0.71073","MoKα","","0.0835","0.0481","","","0.0843","0.0929","","","","","","0.977","","","","has coordinates,has disorder","141356","2020-10-21","18:00:00",""
"4123862","8.837","0.003","9.595","0.003","16.405","0.006","90","","90","","90","","1391","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS*,7R*,8aS*)-ethyl 4a-hydroxy-7-methoxycarboxy-4a,7,8,8a-tetrahydro- 4H-benzo[e][1,2]oxazine-3-carboxylate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0704","0.0671","","","0.1287","0.1314","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123863","23.444","0.005","6.9509","0.0014","17.543","0.004","90","","127.51","0.03","90","","2267.7","1.2","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0604","0.0411","","","0.1077","0.1191","","","","","","1.056","","","","has coordinates","140114","2020-10-21","18:00:00",""
"4123864","8.7284","0.0013","7.918","0.0012","14.286","0.002","90","","93.316","0.003","90","","985.7","0.3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0461","0.0433","","","0.1082","0.1105","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123865","7.1816","0.0011","11.0851","0.0015","21.848","0.003","90","","90","","90","","1739.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br2 N3 O2 -","- C19 H15 Br2 N3 O2 -","- C76 H60 Br8 N12 O8 -","4","1","","Zhu, Rong; Buchwald, Stephen L.","Versatile Enantioselective Synthesis of Functionalized Lactones via Copper-Catalyzed Radical Oxyfunctionalization of Alkenes.","Journal of the American Chemical Society","2015","137","25","8069","8077","10.1021/jacs.5b04821","","","0.71073","MoKα","","0.0428","0.0326","","","0.0653","0.0683","","","","","","1.028","","","","has coordinates","140115","2020-10-21","18:00:00",""
"4123866","10.2242","0.0003","24.0986","0.0008","24.7021","0.0008","90","","100.633","0.001","90","","5981.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Complex_8","","","- C58 H75 B2 F12 Ir N2 O7 Si -","- C58 H75 B2 F12 Ir N2 O7 Si -","- C232 H300 B8 F48 Ir4 N8 O28 Si4 -","4","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0624","0.0479","","","0.1162","0.1243","","","","","","1.022","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123867","14.6296","0.0008","15.6188","0.0009","19.3733","0.001","112.514","0.003","91.809","0.003","96.229","0.003","4052.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_3","","","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C164 H140 Cl4 F48 Ir4 N8 Si4 -","2","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0604","0.0472","","","0.124","0.1369","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123868","42.16895","0.00009","42.16895","0.00009","42.16895","0.00009","90","","90","","90","","74985.7","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C276 H228 Cl12 Eu4 N36 O80 -","- C276 H228 Cl12 Eu4 N36 O80 -","- C2208 H1824 Cl96 Eu32 N288 O640 -","8","0.666667","","Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu","Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages.","Journal of the American Chemical Society","2015","137","26","8550","8555","10.1021/jacs.5b03972","","x-ray","1.54184","CuKα","","0.2393","0.1309","","","0.3248","0.4183","","","","","","1.038","","","","has coordinates","154633","2020-10-21","18:00:00",""
"4123869","8.2548","0.0003","10.0794","0.0002","10.0211","0.0003","90","","110.128","0.004","90","","782.87","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0379","0.0374","","","0.1035","0.1045","","","","","","1.051","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123870","12.6183","0.0006","11.014","0.0005","10.1521","0.0004","90","","90","","90","","1410.92","0.11","294.53","0.1","294.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl O2 -","- C16 H17 Cl O2 -","- C64 H68 Cl4 O8 -","4","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0427","0.0405","","","0.107","0.1095","","","","","","1.044","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123871","11.4872","0.0008","10.2566","0.0005","13.2057","0.0009","90","","112.74","0.008","90","","1434.95","0.18","294.39","0.1","294.39","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 -","- C36 H40 O4 -","- C72 H80 O8 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0829","0.0818","","","0.2257","0.2277","","","","","","1.054","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123872","17.401","0.003","8.647","0.0017","9.4509","0.0018","90","","100.955","0.003","90","","1396.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl N O -","- C14 H18 Cl N O -","- C56 H72 Cl4 N4 O4 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0477","0.0351","","","0.0826","0.0891","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123873","11.3407","0.0006","15.3465","0.0007","14.0104","0.0007","90","","99.774","0.002","90","","2403","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 F3 Ir N O3 -","- C23 H29 F3 Ir N O3 -","- C92 H116 F12 Ir4 N4 O12 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0519","0.0307","","","0.0663","0.0791","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123874","35.4963","0.0014","5.832","0.0002","16.0912","0.0006","90","","90","","90","","3331.1","0.2","296","2","296","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- Cl18 O8 Pb17 -","- Cl18 O8 Pb17 -","- Cl54 O24 Pb51 -","3","0.1875","","Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.","Journal of the American Chemical Society","2015","137","26","8360","8363","10.1021/jacs.5b03986","","","0.71073","MoKα","","0.0711","0.0557","","","0.1309","0.1396","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123875","12.6746","0.0008","8.2695","0.0005","15.8278","0.001","90","","95.997","0.002","90","","1649.87","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","VL-PICTET","sarpong104","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0361","0.0348","","","0.0948","0.096","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123876","9.5558","0.0008","16.3412","0.0013","20.4336","0.0016","90","","90","","90","","3190.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VLIII-051B1","sarpong105","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C144 H152 N8 O24 S8 -","8","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","0.71073","MoKα","","0.0446","0.0413","","","0.0957","0.0979","","","","","","1.2","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123877","8.6569","0.0003","11.5892","0.0004","17.4244","0.0007","90","","99.303","0.002","90","","1725.14","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VLII-193","sarpong91","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0648","0.0589","","","0.1231","0.1272","","","","","","1.146","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4123878","14.216","0.003","16.76","0.004","26.884","0.006","90","","102.357","0.003","90","","6257","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H88 N4 O8 Si2 -","- C63 H88 N4 O8 Si2 -","- C252 H352 N16 O32 Si8 -","4","1","","Wang, Yuzhong; Chen, Mingwei; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Stabilization of Silicon-Carbon Mixed Oxides.","Journal of the American Chemical Society","2015","137","26","8396","8399","10.1021/jacs.5b05202","","","0.71073","MoKα","","0.1632","0.0756","","","0.1582","0.2006","","","","","","1.008","","","","has coordinates","154634","2020-10-21","18:00:00",""
"4123879","9.4514","0.0015","26.119","0.004","17.888","0.003","90","","91.104","0.008","90","","4415","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl2 N2 O8 Ru -","- C30 H28 Cl2 N2 O2 Ru -","- C120 H112 Cl8 N8 O8 Ru4 -","4","1","","Machan, Charles W.; Sampson, Matthew D.; Kubiak, Clifford P.","A Molecular Ruthenium Electrocatalyst for the Reduction of Carbon Dioxide to CO and Formate.","Journal of the American Chemical Society","2015","137","26","8564","8571","10.1021/jacs.5b03913","","x-ray","0.71073","MoKα","","0.0571","0.0476","","","0.1222","0.1284","","","","","","1.056","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4123880","28.3226","0.0015","33.5643","0.0015","21.4252","0.0009","90","","100.806","0.002","90","","20006.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H112 Ir N10 O8 -","- C116 H112 Ir N10 O8 -","- C928 H896 Ir8 N80 O64 -","8","1","","Klein, Johannes H.; Schmidt, David; Steiner, Ulrich E.; Lambert, Christoph","Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads.","Journal of the American Chemical Society","2015","137","34","11011","11021","10.1021/jacs.5b04868","","","1.54178","CuKα","","0.1136","0.0615","","","0.1276","0.1495","","","","","","1.017","","","","has coordinates,has disorder","154646","2020-10-21","18:00:00",""
"4123881","43.248","0.009","12.198","0.002","29.37","0.006","90","","101.13","0.03","90","","15202","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F12 K18 Mn2 Na2 O150 W34 -","- F12 K18 Mn2 Na2 O150 W34 -","- F48 K72 Mn8 Na8 O600 W136 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0861","0.0572","","","0.1347","0.1555","","","","","","1.093","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123882","22.604","0.005","12.289","0.003","29.349","0.006","90","","92.4","0.03","90","","8145","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K9 Mn Na O71 W17 -","- F6 K9 Mn Na O71 W17 -","- F24 K36 Mn4 Na4 O284 W68 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.059","0.0506","","","0.1302","0.1341","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123883","12.2907","0.0007","12.8548","0.0007","29.2936","0.0016","87.98","0.002","90.005","0.002","61.462","0.002","4062.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- F6 H26 K8 Mn Na O69 W17 -","- F6 K8 Mn0.999 Na O69 W17.001 -","- F12 K16 Mn1.998 Na2 O138 W34.002 -","2","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0789","0.0577","","","0.1438","0.1576","","","","","","1.031","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123884","12.2185","0.0013","12.8189","0.0013","13.534","0.0015","104.662","0.005","90.032","0.005","118.35","0.005","1786.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- F6 K8 Mn Na O76 W17 -","- F6 K8 Mn0.999 Na O76 W17.001 -","- F6 K8 Mn0.999 Na O76 W17.001 -","1","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0373","0.0359","","","0.0875","0.0884","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123885","12.3841","0.0009","10.5701","0.0012","11.6763","0.0013","90","","90","","90","","1528.4","0.3","","","","","","","","","","","dichloromethane","5","P n m a","-P 2ac 2n","62","","Title","","- C12 H20 Br N3 S -","- C12 H20 Br N3 S -","- C48 H80 Br4 N12 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","0.0389","0.0311","","","0.0754","0.0794","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123886","19.351","0.003","7.2231","0.0014","19.351","0.003","90","","110.331","0.014","90","","2536.3","0.8","","","","","","","","","","","tetrahydrofuran,dichloromethane","4","P 1 21/n 1","-P 2yn","14","","Title","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123887","10.9428","0.0007","12.0932","0.0009","11.9149","0.0013","90","","110.582","0.008","90","","1476.1","0.2","100","","100","","","","","","","","dichloromethane","5","C 1 2/c 1","-C 2yc","15","","Title","","- C11 H20 Br2 N2 S -","- C11 H20 Br2 N2 S -","- C44 H80 Br8 N8 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","0.71073","MoKα","","0.0367","0.0286","","","0.069","0.0731","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123888","10.8037","0.0009","9.0136","0.0005","17.8195","0.0014","90","","92.334","0.008","90","","1733.8","0.2","","","","","","","","","","","acetonitrile,diethylether","6","P 1 21/n 1","-P 2yn","14","","Title","","- C12 H20 F6 N3 S Sb -","- C12 H20 F6 N3 S Sb -","- C48 H80 F24 N12 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123889","9.0118","0.0003","9.0638","0.0003","26.0781","0.0008","90","","90","","90","","2130.09","0.12","","","","","","","","","","","dichlormethane","7","P 21 21 21","P 2ac 2ab","19","","Title","","- C16 H25 F6 N2 O2 S Sb -","- C16 H25 F6 N2 O2 S Sb -","- C64 H100 F24 N8 O8 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123890","21.6737","0.0002","21.6737","0.0002","9.6282","0.0002","90","","90","","90","","4522.84","0.11","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0274","0.023","","","0.0897","0.096","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123891","21.708","0.0016","21.708","0.0016","9.636","0.002","90","","90","","90","","4540.8","1.1","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2611","0.2243","","","0.5596","0.5753","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123892","21.8286","0.0001","21.8286","0.0001","9.636","0.0001","90","","90","","90","","4591.44","0.06","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0266","0.0236","","","0.1019","0.105","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123893","7.0153","0.0003","11.933","0.0005","17.6064","0.0008","90","","90","","90","","1473.89","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Dao, Hai T.; Li, Chao; Michaudel, Quentin; Maxwell, Brad D.; Baran, Phil S.","Hydromethylation of Unactivated Olefins.","Journal of the American Chemical Society","2015","137","25","8046","8049","10.1021/jacs.5b05144","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","140009","2020-10-21","18:00:00",""
"4123894","12.1939","0.0008","14.0887","0.0009","13.9512","0.0013","90","","104.752","0.008","90","","2317.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F N3 O3 -","- C26 H24 F N3 O3 -","- C104 H96 F4 N12 O12 -","4","2","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0703","0.0431","","","0.0929","0.1064","","","","","","1.004","","","","has coordinates","140010","2020-10-21","18:00:00",""
"4123895","9.9867","0.0004","15.5125","0.0005","20.0463","0.0007","90","","90","","90","","3105.55","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl3 N4 O3 Pd -","- C31 H27 Cl3 N4 O3 Pd -","- C124 H108 Cl12 N16 O12 Pd4 -","4","1","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0274","0.0234","","","0.0509","0.0527","","","","","","1.038","","","","has coordinates","140011","2020-10-21","18:00:00",""
"4123896","14.3531","0.0003","27.7447","0.0009","12.1851","0.0003","90","","113.26","0.002","90","","4458","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 B20 Cl2 Ir N2 O2 -","- C36 H51 B20 Cl2 Ir N2 O2 -","- C144 H204 B80 Cl8 Ir4 N8 O8 -","4","0.5","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0513","0.0352","","","0.0783","0.096","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123897","13.3962","0.0002","14.4075","0.0003","16.1457","0.0003","66.228","0.001","66.344","0.001","83.088","0.001","2609","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 B20 Cl6 Ir N2 O2 -","- C40 H59 B20 Cl6 Ir N2 O2 -","- C80 H118 B40 Cl12 Ir2 N4 O4 -","2","1","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0448","0.0398","","","0.1009","0.1048","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123898","10.0251","0.0002","11.4891","0.0002","34.7369","0.0002","90","","90","","90","","4000.97","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br F3 N O -","- C21 H21 Br F3 N O -","- C168 H168 Br8 F24 N8 O8 -","8","2","","Cahard, Elise; Male, Henry P. J.; Tissot, Matthieu; Gaunt, Matthew J.","Enantioselective and Regiodivergent Copper-Catalyzed Electrophilic Arylation of Allylic Amides with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","25","7986","7989","10.1021/jacs.5b03937","","","0.71073","MoKα","","0.071","0.0524","","","0.1356","0.1461","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123899","22.764","0.0007","22.764","0.0007","20.1397","0.0005","90","","90","","90","","10436.4","0.5","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C56 H81 N4 P4 Rh -","- C56 H81 N4 P4 Rh -","- C448 H648 N32 P32 Rh8 -","8","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0573","0.0446","","","0.0972","0.1035","","","","","","1.063","","","","has coordinates","140014","2020-10-21","18:00:00",""
"4123900","10.3561","0.0004","22.3066","0.0009","25.118","0.0011","78.365","0.001","88.802","0.001","85.947","0.001","5668.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C248 H276 B4 F16 N16 O2 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0765","0.0435","","","0.0896","0.106","","","","","","1.017","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123901","10.0163","0.0007","14.2416","0.0009","18.7726","0.0012","96.498","0.002","90.811","0.003","100.226","0.003","2616.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H65 N4 P4 Rh -","- C60 H65 N4 P4 Rh -","- C120 H130 N8 P8 Rh2 -","2","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.042","0.0306","","","0.0704","0.0749","","","","","","1.03","","","","has coordinates","140017","2020-10-21","18:00:00",""
"4123902","9.989","0.0002","48.2896","0.0009","12.8422","0.0003","90","","112.625","0.001","90","","5717.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H73 N4 O5 P4 Rh -","- C64 H73 N4 O5 P4 Rh -","- C256 H292 N16 O20 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0578","0.0582","","","","","","1.081","","","","has coordinates,has disorder","140018","2020-10-21","18:00:00",""
"4123903","12.825","0.0011","17.1647","0.0016","26.185","0.002","90","","94.522","0.004","90","","5746.4","0.9","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B F4 N5 O4 P4 Rh -","- C62 H67 B F4 N5 O4 P4 Rh -","- C248 H268 B4 F16 N20 O16 P16 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.074","0.0422","","","0.0731","0.084","","","","","","1.009","","","","has coordinates","140019","2020-10-21","18:00:00",""
"4123904","22.7509","0.0009","13.4975","0.0006","22.3982","0.0009","90","","109.665","0.0015","90","","6476.9","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H94 B F4 N6 O4 P4 Rh -","- C64 H94 B F4 N6 O4 P4 Rh -","- C256 H376 B4 F16 N24 O16 P16 Rh4 -","4","0.5","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.1046","0.0543","","","0.0867","0.0984","","","","","","1.027","","","","has coordinates","140020","2020-10-21","18:00:00",""
"4123905","16.0883","0.0004","17.7264","0.0005","18.4436","0.0005","90","","98.328","0.001","90","","5204.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H57.5 F6 N4.5 P5 Rh -","- C57 H57.5 F6 N4.5 P5 Rh -","- C228 H230 F24 N18 P20 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","1.54178","CuKα","","0.0402","0.0396","","","0.1031","0.1037","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123906","11.382","0.007","9.981","0.006","34.66","0.02","90","","91.279","0.009","90","","3937","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 B2 N6 -","- C22 H18 B2 N6 -","- C176 H144 B16 N48 -","8","2","","Wang, Guanghui; Xu, Liang; Li, Pengfei","Double N,B-Type Bidentate Boryl Ligands Enabling a Highly Active Iridium Catalyst for C-H Borylation.","Journal of the American Chemical Society","2015","137","25","8058","8061","10.1021/jacs.5b05252","","","0.71073","MoKα","","0.1056","0.0502","","","0.0997","0.1279","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123907","7.9863","0.0006","8.4518","0.0006","18.3659","0.0014","96.106","0.002","93.622","0.002","112.862","0.002","1128.4","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0461","0.0409","","","0.1023","0.1065","","","","","","1.014","","","","has coordinates","140023","2020-10-21","18:00:00",""
"4123908","13.2851","0.0007","11.1971","0.0006","13.2994","0.0008","90","","116.317","0.002","90","","1773.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0496","0.0448","","","0.1169","0.1198","","","","","","1.029","","","","has coordinates","140024","2020-10-21","18:00:00",""
"4123909","10.0858","0.001","10.413","0.001","11.4837","0.0011","90","","92.06","0.003","90","","1205.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0443","0.0398","","","0.1051","0.1089","","","","","","1.057","","","","has coordinates","140025","2020-10-21","18:00:00",""
"4123910","7.8853","0.0007","10.0185","0.0009","18.0908","0.0016","100.971","0.003","97.255","0.003","95.175","0.003","1382.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Ag B F4 N2 O4 -","- C31 H26 Ag B F4 N2 O4 -","- C62 H52 Ag2 B2 F8 N4 O8 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0502","0.0402","","","0.09","0.095","","","","","","1.033","","","","has coordinates","140026","2020-10-21","18:00:00",""
"4123911","21.8109","0.001","16.5511","0.0008","15.7831","0.0007","90","","90","","90","","5697.6","0.5","100","","99.8","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H70 Cl3 F6 N10 P Ru2 -","- C56 H70 Cl3 F6 N10 P Ru2 -","- C224 H280 Cl12 F24 N40 P4 Ru8 -","4","1","","Filonenko, Georgy A.; Aguila, Mae Joanne B.; Schulpen, Erik N.; van Putten, Robbert; Wiecko, Jelena; Müller, Christian; Lefort, Laurent; Hensen, Emiel J. M.; Pidko, Evgeny A.","Bis-N-heterocyclic Carbene Aminopincer Ligands Enable High Activity in Ru-Catalyzed Ester Hydrogenation.","Journal of the American Chemical Society","2015","137","24","7620","7623","10.1021/jacs.5b04237","","","0.71073","MoKα","","0.0508","0.0346","","","0.0644","0.0692","","","","","","1.021","","","","has coordinates","140027","2020-10-21","18:00:00",""
"4123912","14.2869","0.0009","14.7963","0.0009","19.1431","0.0011","98.092","0.002","109.786","0.002","91.271","0.003","3759.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H81 B2 F24 Fe N P3 -","- C78 H81 B2 F24 Fe N P3 -","- C156 H162 B4 F48 Fe2 N2 P6 -","2","1","","Anderson, John S.; Cutsail, 3rd, George E; Rittle, Jonathan; Connor, Bridget A.; Gunderson, William A.; Zhang, Limei; Hoffman, Brian M.; Peters, Jonas C.","Characterization of an Fe≡N-NH2 Intermediate Relevant to Catalytic N2 Reduction to NH3.","Journal of the American Chemical Society","2015","137","24","7803","7809","10.1021/jacs.5b03432","","","0.71073","MoKα","","0.1075","0.052","","","0.1114","0.1334","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123913","27.809","0.003","27.809","0.003","20.6","0.003","90","","90","","90","","15931","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C192 H104 Cd13 Cl10 N80 O12 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1645","0.101","","","0.2325","0.2479","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123914","27.849","0.002","27.849","0.002","20.452","0.003","90","","90","","90","","15862","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C192 H96 Cd17 Cl10 N80 O16 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1753","0.091","","","0.2151","0.2361","","","","","","1.003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123915","21.599","0.002","21.599","0.002","19.383","0.004","90","","90","","90","","9042","2","298","2","298","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1106","0.0558","","","0.1227","0.1287","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123916","20.55","0.006","20.55","0.006","19.905","0.011","90","","90","","90","","8406","6","110","2","110","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C96 H51.2 Cd0 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1665","0.0682","","","0.1545","0.1669","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123917","11.056","0.008","39.67","0.03","7.531","0.005","90","","97.688","0.009","90","","3273","4","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C58 H28 -","- C58 H28 -","- C232 H112 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Structures, and Properties of π-Extended Double Helicene: A Combination of Planar and Nonplanar π-Systems.","Journal of the American Chemical Society","2015","137","24","7763","7768","10.1021/jacs.5b03118","","","0.71075","MoKα","","0.1128","0.0736","","","0.1642","0.1861","","","","","","1.098","","","","has coordinates","275168","2022-05-07","00:26:13",""
"4123918","11.7952","0.0006","9.0065","0.0005","15.2933","0.0008","90","","99.549","0.0016","90","","1602.15","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Huang, Yinhua; Hayashi, Tamio","Asymmetric Synthesis of Triarylmethanes by Rhodium-Catalyzed Enantioselective Arylation of Diarylmethylamines with Arylboroxines.","Journal of the American Chemical Society","2015","137","24","7556","7559","10.1021/jacs.5b03277","","","0.71073","MoKα","","0.0193","0.0178","","","0.049","0.0518","","","","","","1.025","","","","has coordinates","140034","2020-10-21","18:00:00",""
"4123924","9.286","0.004","10.034","0.005","18.234","0.01","90","","90","","90","","1699","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Xu, Bin; Li, Mao-Lin; Zuo, Xiao-Dong; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic Asymmetric Arylation of α-Aryl-α-diazoacetates with Aniline Derivatives.","Journal of the American Chemical Society","2015","137","27","8700","8703","10.1021/jacs.5b05086","","","1.54178","CuKα","","0.0384","0.0377","","","0.0923","0.0931","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123925","34.2011","0.0008","34.2011","0.0008","34.2011","0.0008","90","","90","","90","","40005.5","1.6","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C165 H157 Ag29 N7 O7 P4 S24 -","- C144 H108 Ag29 P4 S24 -","- C1152 H864 Ag232 P32 S192 -","8","0.333333","","AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.","Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.","Journal of the American Chemical Society","2015","137","37","11970","11975","10.1021/jacs.5b04547","","","1.54178","CuKα","","0.1644","0.0894","","","0.2114","0.2758","","","","","","1.153","","","","has coordinates","160538","2020-10-21","18:00:00",""
"4123926","10.451","0.0002","22.601","0.0004","22.0156","0.0005","90","","94.409","0.001","90","","5184.76","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 N4 Ni2 Si2 -","- C56 H68 N4 Ni2 Si2 -","- C224 H272 N16 Ni8 Si8 -","4","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","0.71073","MoKα","","0.063","0.0362","","","0.0871","0.0995","","","","","","1.024","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123927","8.2242","0.0003","14.3806","0.0007","17.7803","0.0006","107.132","0.004","93.402","0.003","102.319","0.003","1946.39","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 N4 Ni2 Si -","- C41 H54 N4 Ni2 Si -","- C82 H108 N8 Ni4 Si2 -","2","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","1.54178","CuKα","","0.0515","0.0489","","","0.1379","0.1404","","","","","","1.059","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123928","8.7323","0.0003","26.7612","0.0007","10.8183","0.0003","90","","97.865","0.002","90","","2504.31","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Shang, Rui; Ilies, Laurean; Nakamura, Eiichi","Iron-Catalyzed Directed C(sp(2))-H and C(sp(3))-H Functionalization with Trimethylaluminum.","Journal of the American Chemical Society","2015","137","24","7660","7663","10.1021/jacs.5b04818","","","1.54187","CuKα","","0.173","0.0684","","","0.1428","0.1955","","","","","","0.759","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123939","16.7657","0.0019","8.6793","0.0012","17.034","0.002","90","","94.282","0.006","90","","2471.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O4 S2 -","- C25 H34 N2 O4 S2 -","- C100 H136 N8 O16 S8 -","4","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1088","0.0655","","","0.1587","0.1838","","","","","","1.052","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123940","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123941","9.1694","0.0002","10.3934","0.0002","15.8101","0.0003","93.078","0.001","96.205","0.001","94.987","0.001","1489.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O5 S -","- C34 H33 N O5 S -","- C68 H66 N2 O10 S2 -","2","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0509","0.0435","","","0.1189","0.126","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123942","12.2443","0.0007","11.5289","0.0006","18.6517","0.001","90","","95.401","0.003","90","","2621.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl N O3 S -","- C30 H28 Cl N O3 S -","- C120 H112 Cl4 N4 O12 S4 -","4","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0616","0.0397","","","0.1026","0.1163","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123943","8.6046","0.0003","9.8632","0.0004","14.5013","0.0006","82.148","0.002","82.067","0.002","74.011","0.002","1165.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TM101","fischer02","","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","1","0.5","","Cloke, Ryan R.; Marangoni, Tomas; Nguyen, Giang D.; Joshi, Trinity; Rizzo, Daniel J.; Bronner, Christopher; Cao, Ting; Louie, Steven G.; Crommie, Michael F.; Fischer, Felix R.","Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons.","Journal of the American Chemical Society","2015","137","28","8872","8875","10.1021/jacs.5b02523","","","0.71073","MoKα","","0.0556","0.0387","","","0.081","0.0887","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123944","12.3695","0.0006","21.8417","0.001","21.5457","0.0011","90","","105.723","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hj4164","","","- C65 H78 N2 O Ru Si -","- C65 H78 N2 O Ru Si -","- C260 H312 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0617","0.0372","","","0.0719","0.0803","","","","","","1.043","","","","has coordinates,has disorder","152857","2020-10-21","18:00:00",""
"4123945","11.052","0.0002","11.3612","0.0002","18.992","0.0004","78.848","0.001","85.57","0.001","64.995","0.001","2120.36","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hj7028","","","- C48.5 H59 F3 N2 O Ru Si -","- C48.5 H58.5 F3 N2 O Ru Si -","- C97 H117 F6 N4 O2 Ru2 Si2 -","2","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0372","0.0349","","","0.088","0.0896","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123946","16.5087","0.001","22.9978","0.0011","17.8555","0.0009","90","","108.957","0.003","90","","6411.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hj4008","","","- C57 H70 N2 O Ru Si -","- C57 H70 N2 O Ru Si -","- C228 H280 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0904","0.0644","","","0.1311","0.1411","","","","","","1.139","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123947","15.5731","0.0012","15.6694","0.0013","21.6607","0.0016","90","","96.084","0.004","90","","5255.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","hj6112","","","- C51 H67 N3 O2 Ru S Si -","- C51 H67 N3 O2 Ru S Si -","- C204 H268 N12 O8 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0602","0.0386","","","0.0742","0.0823","","","","","","1.019","","","","has coordinates","152857","2020-10-21","18:00:00",""
"4123948","7.6489","0.0004","17.3794","0.0008","17.2195","0.0008","90","","96.646","0.002","90","","2273.66","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 B Li N O2 Si -","- C21 H37 B Li N O2 Si -","- C84 H148 B4 Li4 N4 O8 Si4 -","4","1","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0616","0.0551","","","0.1555","0.1645","","","","","","1.024","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4123949","8.1542","0.0006","5.7395","0.0004","7.759","0.0005","90","","107.059","0.006","90","","347.15","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0666","0.0566","","","0.1557","0.1641","","","","","","1.076","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4124125","10.52587","0.00009","6.11525","0.00006","4.97031","0.00005","90","","90","","90","","319.931","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li6.5 O8 P1.5 Si0.5 -","- Li6.482 O8 P1.5 Si0.5 -","- Li12.964 O16 P3 Si -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7004","2.8783","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124126","10.58917","0.0001","6.1152","0.00006","5.00565","0.00004","90","","90","","90","","324.14","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7 O8 P Si -","- Li6.596 O8 P Si -","- Li13.192 O16 P2 Si2 -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.9228","3.8032","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124127","5.10536","0.00011","6.11225","0.00012","5.29671","0.00011","90","","90.3692","0.0008","90","","165.282","0.006","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li7.5 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","1","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.494","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.4358","1.5857","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124128","11.5556","0.0004","6.0986","0.0002","16.73","0.0005","90","","99.058","0.001","90","","1164.31","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","","","0.71073","MoKα","","0.0775","0.0408","","","0.1221","0.1492","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124129","11.2002","0.0007","11.8465","0.0007","18.7423","0.0011","78.185","0.003","83.411","0.003","67.564","0.002","2248","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","1","0.5","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0447","0.0342","","","0.0874","0.0937","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124130","25.3813","0.001","12.6995","0.0005","25.1244","0.0009","90","","116.765","0.002","90","","7230.7","0.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H114 K N5 O8 P2 Ti -","- C70 H114 K N5 O8 P2 Ti -","- C280 H456 K4 N20 O32 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.1028","0.053","","","0.1229","0.1486","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124131","25.354","0.0006","32.8324","0.0008","12.7608","0.0003","90","","90","","90","","10622.5","0.4","100","1","100","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C110 H160 K2 N6 O2 P4 Ti2 -","- C110 H160 K2 N6 O2 P4 Ti2 -","- C440 H640 K8 N24 O8 P16 Ti8 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.05","0.0445","","","0.1153","0.1197","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124132","14.7649","0.0003","12.707","0.0003","23.0543","0.0005","90","","96.136","0.001","90","","4300.61","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N5 P2 Ti -","- C44 H62 N5 P2 Ti -","- C176 H248 N20 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0408","0.0323","","","0.0823","0.0879","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124133","22.0861","0.0006","12.2813","0.0003","23.1272","0.0005","90","","103.379","0.001","90","","6102.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H96 K N3 O7 P2 Ti -","- C60 H96 K N3 O7 P2 Ti -","- C240 H384 K4 N12 O28 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0937","0.0576","","","0.1407","0.1663","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124134","11.4019","0.0004","14.6741","0.0005","19.1194","0.0008","74.772","0.002","77.091","0.002","78.2422","0.0019","2972.57","0.19","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C126 H150 B2 N16 O8 Zn2 -","2","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0912","0.0567","","","0.135","0.1549","","","","","","1.014","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124135","30.9381","0.001","11.0948","0.0003","37.0849","0.0012","90","","103.747","0.001","90","","12364.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C504 H600 B8 N64 O32 Zn8 -","8","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.1003","0.0699","","","0.155","0.1685","","","","","","1.055","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124136","13.3325","0.0003","28.3571","0.0007","34.14","0.0008","90","","100.62","0.001","90","","12686.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H154 B2 N16 O8 Zn2 -","- C128 H154 B2 N16 O8 Zn2 -","- C512 H616 B8 N64 O32 Zn8 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0768","0.0544","","","0.1297","0.1412","","","","","","1.052","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124137","14.2837","0.0003","31.337","0.0007","15.0319","0.0004","90","","112.556","0.001","90","","6213.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BCO495","","","- C65 H83 B Cl2 N8 O4 Zn -","- C65 H83 B Cl2 N8 O4 Zn -","- C260 H332 B4 Cl8 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0635","0.0512","","","0.1263","0.1334","","","","","","1.065","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124138","13.9485","0.0005","34.5936","0.0013","14.2895","0.0006","90","","108.948","0.002","90","","6521.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DES8-81-3","","","- C72 H87 B N8 O4 Zn -","- C72 H87 B N8 O4 Zn -","- C288 H348 B4 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0766","0.0536","","","0.1254","0.1356","","","","","","1.044","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124139","9.4898","0.0013","9.737","0.0018","12.2051","0.0018","90","","111.784","0.002","90","","1047.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cu I N2 -","- C10 H8 Cu I N2 -","- C40 H32 Cu4 I4 N8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0445","0.0332","","","0.0636","0.0675","","","","","","1.004","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124140","26.0237","0.001","9.3012","0.0004","20.2799","0.0008","90","","117.533","0.002","90","","4352.8","0.3","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cu4 I4 N4 P4 S2 -","- C92 H76 Cu4 I4 N4 P4 S2 -","- C184 H152 Cu8 I8 N8 P8 S4 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7085","synchrotron","","0.0503","0.0333","","","0.0713","0.0775","","","","","","1.057","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124141","17.2033","0.0007","17.7719","0.0007","14.947","0.0006","90","","122.467","0.002","90","","3855.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C160 H132 Br4 Cu8 I8 N8 P8 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7293","synchrotron","","0.0295","0.0216","","","0.0463","0.0478","","","","","","0.962","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124142","8.437","0.002","21.875","0.006","16.757","0.004","90","","90","","90","","3092.7","1.3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H3 Br Cu I N2 -","- C4 H3 Br Cu I N2 -","- C64 H48 Br16 Cu16 I16 N32 -","16","","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0305","0.026","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124143","13.2151","0.0005","13.5525","0.0005","25.3512","0.0009","90","","94.613","0.002","90","","4525.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cu2 I2 N2 P2 -","- C49 H44 Cu2 I2 N2 P2 -","- C196 H176 Cu8 I8 N8 P8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0435","0.0282","","","0.0578","0.0652","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124144","7.802","0.0004","8.6628","0.0004","9.4711","0.0005","90.919","0.002","94.251","0.003","102.751","0.002","622.28","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0388","0.0366","","","0.1025","0.1046","","","","","","1.096","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124145","9.3886","0.0003","11.5199","0.0004","11.5849","0.0004","79.129","0.002","69.089","0.002","72.439","0.002","1111.29","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0421","0.031","","","0.0652","0.0692","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124146","25.9199","0.0015","14.9505","0.0009","11.5468","0.0007","90","","97.115","0.002","90","","4440.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu I N P -","- C24 H22 Cu I N P -","- C192 H176 Cu8 I8 N8 P8 -","8","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0735","0.0609","","","0.1602","0.1725","","","","","","1.042","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124147","21.5806","0.0014","21.7696","0.0014","25.8234","0.0016","74.698","0.003","72.145","0.003","77.768","0.003","11024.3","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H201 B F2 N17 O64 Pt2 -","- C232 H201 B F2 N17 O64 Pt2 -","- C464 H402 B2 F4 N34 O128 Pt4 -","2","1","","Yamashina, Masahiro; Sartin, Matthew M.; Sei, Yoshihisa; Akita, Munetaka; Takeuchi, Satoshi; Tahara, Tahei; Yoshizawa, Michito","Preparation of Highly Fluorescent Host-Guest Complexes with Tunable Color upon Encapsulation.","Journal of the American Chemical Society","2015","137","29","9266","9269","10.1021/jacs.5b06195","","","1.54178","CuKα","","0.0855","0.0751","","","0.2448","0.2542","","","","","","2.085","","","","has coordinates","152848","2020-10-21","18:00:00",""
"4124148","14.6799","0.0011","14.8636","0.0011","16.1127","0.0011","89.566","0.004","68.846","0.004","62.936","0.003","2867.4","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H48 B Cl2 F15 O3 Si Zr -","- C59 H48 B Cl2 F15 O3 Si Zr -","- C118 H96 B2 Cl4 F30 O6 Si2 Zr2 -","2","1","","Vidal, Fernando; Gowda, Ravikumar R.; Chen, Eugene Y.-X.","Chemoselective, Stereospecific, and Living Polymerization of Polar Divinyl Monomers by Chiral Zirconocenium Catalysts.","Journal of the American Chemical Society","2015","137","29","9469","9480","10.1021/jacs.5b05811","","","0.71073","MoKα","","0.0732","0.0465","","","0.1156","0.1239","","","","","","1.065","","","","has coordinates","152852","2020-10-21","18:00:00",""
"4124149","15.8254","0.0004","6.0257","0.0002","16.6449","0.0005","90","","115.541","0.0013","90","","1432.14","0.08","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N O4 -","- C34 H37 N O4 -","- C68 H74 N2 O8 -","2","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0339","0.0298","","","0.0653","0.0672","","","","","","1.067","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124150","8.6834","0.0004","16.2787","0.0007","21.3864","0.0009","90","","90","","90","","3023.1","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 -","- C35 H39 N O5 -","- C140 H156 N4 O20 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0375","0.0373","","","0.0922","0.0923","","","","","","1.138","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124151","11.3063","0.0004","17.1064","0.0006","17.5636","0.0006","90","","90","","90","","3397","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N3 O3 -","- C36 H49 N3 O3 -","- C144 H196 N12 O12 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0379","0.036","","","0.0904","0.0922","","","","","","1.057","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124152","10.3317","0.0003","11.0488","0.0003","31.0607","0.0008","90","","90","","90","","3545.67","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51 N3 O4 -","- C37 H51 N3 O4 -","- C148 H204 N12 O16 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.052","0.0448","","","0.1068","0.1111","","","","","","1.039","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124153","9.3732","0.0006","10.9685","0.0008","30.31","0.002","90","","90","","90","","3116.2","0.4","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O7 -","- C35 H41 N O7 -","- C140 H164 N4 O28 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0892","0.0716","","","0.149","0.1578","","","","","","1.145","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124154","7.092","0.012","21.92","0.04","26.25","0.05","90","","92.31","0.03","90","","4077","13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H25 B10 N Si -","- C13 H25 B10 N Si -","- C104 H200 B80 N8 Si8 -","8","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1506","0.0576","","","0.0875","0.1126","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124155","10.8368","0.0008","10.2916","0.0008","21.5505","0.0015","90","","95.704","0.002","90","","2391.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B10 N Si -","- C19 H29 B10 N Si -","- C76 H116 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0577","0.0428","","","0.1143","0.124","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124156","13.5872","0.0004","13.6524","0.0004","44.1111","0.0012","90","","90","","90","","8182.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C224 H432 B160 N16 Si16 -","16","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1247","0.0787","","","0.1842","0.2068","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124157","10.2406","0.0007","22.1698","0.0016","10.4996","0.0008","90","","118.297","0.003","90","","2098.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0553","0.0436","","","0.1197","0.1302","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124158","10.6851","0.0005","20.7939","0.001","10.3533","0.0004","90","","118.622","0.0012","90","","2019.23","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B12 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0612","0.0491","","","0.1361","0.1471","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124159","7.077","0.002","8.79","0.003","14.988","0.005","90","","100.256","0.006","90","","917.5","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 N -","- C16 H21 B10 N -","- C32 H42 B20 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0639","0.0472","","","0.1103","0.1214","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124160","8.183","0.0007","10.8698","0.0009","11.361","0.0009","81.46","0.002","75.361","0.002","73.663","0.002","934.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B10 F N -","- C16 H20 B10 F N -","- C32 H40 B20 F2 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.062","0.0464","","","0.1233","0.1334","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124161","7.2295","0.0003","10.6326","0.0004","27.3463","0.001","90","","95.486","0.003","90","","2092.44","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 B10 N O Si -","- C14 H27 B10 N O Si -","- C56 H108 B40 N4 O4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","1.54178","CuKα","","0.1184","0.0778","","","0.1986","0.2246","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124162","13.907","0.002","7.224","0.001","15.485","0.002","90","","94.103","0.003","90","","1551.7","0.4","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C11 H19 B10 N -","- C11 H19 B10 N -","- C44 H76 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1954","0.1111","","","0.2699","0.3312","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124163","7.121","0.002","20.584","0.006","10.452","0.003","90","","96.443","0.007","90","","1522.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C36 H60 B40 N4 S4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0569","0.041","","","0.11","0.1212","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124164","10.3132","0.0008","11.0905","0.0008","12.8176","0.0008","104.853","0.001","105.128","0.001","101.135","0.002","1313.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H17 B10 N -","- C7 H17 B10 N -","- C28 H68 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0729","0.052","","","0.1412","0.1581","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124165","6.9969","0.0006","20.1293","0.0017","11.0355","0.0009","90","","94.813","0.002","90","","1548.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B10 N -","- C11 H17 B10 N -","- C44 H68 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0895","0.0526","","","0.1295","0.1502","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124166","6.7689","0.0003","12.4813","0.0006","19.7123","0.0009","99.976","0.001","98.355","0.001","97.901","0.001","1600.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 B10 N -","- C12 H21 B10 N -","- C48 H84 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0648","0.0549","","","0.1624","0.1731","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124167","8.8461","0.0005","17.8341","0.001","25.8501","0.0015","90","","90.017","0.002","90","","4078.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H68 Ce N5 Si6 -","- C25 H68 Ce N5 Si6 -","- C100 H272 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0235","0.0186","","","0.04","0.0432","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124168","9.4432","0.0004","23.8081","0.0011","20.2688","0.001","90","","91.574","0.002","90","","4555.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 Ce N5 Si6 -","- C31 H76 Ce N5 Si6 -","- C124 H304 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0176","0.0155","","","0.039","0.041","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124169","18.3829","0.0008","25.4115","0.001","8.7163","0.0003","90","","90","","90","","4071.7","0.3","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H68 Ce Cl N5 Si6 -","- C25 H68 Ce Cl N5 Si6 -","- C100 H272 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0214","0.0193","","","0.0438","0.0447","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124170","9.3555","0.0013","23.472","0.003","20.797","0.003","90","","97.552","0.006","90","","4527.2","1.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H76 Ce Cl N5 Si6 -","- C31 H76 Ce Cl N5 Si6 -","- C124 H304 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0245","0.0191","","","0.0424","0.045","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124171","10.4706","0.0011","14.4379","0.0015","7.9454","0.0009","90","","90","","90","","1201.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- B3 Ba3 Cl O9 Pb2 -","- B3 Ba3 Cl O9 Pb2 -","- B12 Ba12 Cl4 O36 Pb8 -","4","0.5","","Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M.","Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.","Journal of the American Chemical Society","2015","137","29","9417","9422","10.1021/jacs.5b05406","","","0.71073","MoKα","","0.0205","0.0198","","","0.0506","0.0509","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124172","12.035","0.003","3.9873","0.001","18.148","0.005","90","","109.192","0.006","90","","822.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C36 H28 Br4 O8 -","2","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0873","0.0661","","","0.1381","0.1498","","","","","","1.14","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124173","7.3612","0.0014","7.8256","0.0015","8.1466","0.0015","79.735","0.004","66.523","0.004","84.834","0.005","423.46","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0623","0.0545","","","0.137","0.1436","","","","","","1.075","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124174","5.8835","0.0011","6.7768","0.0012","16.356","0.003","89.817","0.004","83.8","0.004","70.889","0.004","612.23","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0364","0.035","","","0.0922","0.0937","","","","","","1.099","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124175","30.2386","0.0004","30.2386","0.0004","30.2386","0.0004","90","","90","","90","","27649.4","0.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 O32 Zr6 -","- C96 H48 O32 Zr6 -","- C384 H192 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","x-ray","0.71073","MoKα","","0.0721","0.0686","","","0.1843","0.1866","","","","","","1.178","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124176","30.1107","0.0012","30.1107","0.0012","30.1107","0.0012","90","","90","","90","","27300","1.9","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Hf6 O32 -","- C96 H48 Hf6 O32 -","- C384 H192 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0491","0.0462","","","0.1276","0.1308","","","","","","1.092","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124177","29.861","0.002","29.861","0.002","29.861","0.002","90","","90","","90","","26626","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 O32 Zr6 -","- C96 H48 Br12 O32 Zr6 -","- C384 H192 Br48 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0973","0.0783","","","0.2123","0.2314","","","","","","1.069","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124178","29.825","0.002","29.825","0.002","29.825","0.002","90","","90","","90","","26530","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 Hf6 O32 -","- C96 H48 Br12 Hf6 O32 -","- C384 H192 Br48 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0441","0.037","","","0.102","0.1087","","","","","","1.056","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124179","11.9159","0.0002","13.6522","0.0003","13.8179","0.0003","68.5985","0.0009","77.8452","0.001","82.4777","0.001","2042.34","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H56 I N3 Ni O3 -","- C41 H56 I N3 Ni O3 -","- C82 H112 I2 N6 Ni2 O6 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0311","0.0251","","","0.0593","0.0631","","","","","","1.038","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124180","11.6854","0.0008","13.0659","0.0009","14.9978","0.001","91.626","0.0019","109.319","0.0017","114.956","0.0018","1921","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 N3 Ni O -","- C43 H59 N3 Ni O -","- C86 H118 N6 Ni2 O2 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0356","0.0327","","","0.0864","0.0881","","","","","","1.037","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124181","9.7667","0.0006","11.1645","0.0007","19.3961","0.0013","74.659","0.006","83.116","0.005","68.271","0.006","1894.1","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 N O3 P2 Rh -","- C46 H40 N O3 P2 Rh -","- C92 H80 N2 O6 P4 Rh2 -","2","1","","Li, Xinyao; Li, Xinwei; Jiao, Ning","Rh-Catalyzed Construction of Quinolin-2(1H)-ones via C-H Bond Activation of Simple Anilines with CO and Alkynes.","Journal of the American Chemical Society","2015","137","29","9246","9249","10.1021/jacs.5b05843","","","0.71073","MoKα","","0.1553","0.0755","","","0.1062","0.1413","","","","","","1.049","","","","has coordinates","152851","2020-10-21","18:00:00",""
"4124182","12.7999","0.0006","15.1536","0.0008","36.6934","0.0018","90","","94.913","0.003","90","","7091.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H82 Cl Cu N4 O15 -","- C79 H82 Cl Cu N4 O15 -","- C316 H328 Cl4 Cu4 N16 O60 -","4","1","","Mara, Michael W.; Bowman, David N.; Buyukcakir, Onur; Shelby, Megan L.; Haldrup, Kristoffer; Huang, Jier; Harpham, Michael R.; Stickrath, Andrew B.; Zhang, Xiaoyi; Stoddart, J. Fraser; Coskun, Ali; Jakubikova, Elena; Chen, Lin X.","Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices.","Journal of the American Chemical Society","2015","137","30","9670","9684","10.1021/jacs.5b04612","","","1.54178","CuKα","","0.1582","0.1436","","","0.3309","0.3362","","","","","","1.146","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124183","13.363","0.004","7.906","0.002","23.608","0.006","90","","98.232","0.006","90","","2468.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl N2 Rh -","- C27 H34 Cl N2 Rh -","- C108 H136 Cl4 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1272","0.0635","","","0.1114","0.1278","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124184","11.467","0.003","21.625","0.005","13.371","0.003","90","","112.245","0.004","90","","3068.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl4 N2 Rh -","- C34 H31 Cl4 N2 Rh -","- C136 H124 Cl16 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0748","0.0504","","","0.1116","0.1201","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124185","14.876","0.006","14.79","0.006","7.964","0.003","90","","101.405","0.007","90","","1717.6","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 F6 N2 P -","- C17 H21 F6 N2 P -","- C68 H84 F24 N8 P4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0704","0.0489","","","0.0863","0.094","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124186","12.495","0.003","21.338","0.005","8.917","0.002","90","","94.255","0.004","90","","2370.9","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 F6 N2 P -","- C25 H33 F6 N2 P -","- C100 H132 F24 N8 P4 -","4","0.5","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0771","0.0566","","","0.1341","0.1456","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124187","10.1568","0.0017","12.918","0.002","13.817","0.002","91.012","0.003","101.271","0.003","104.126","0.003","1720.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl3 F6 N2 P -","- C38 H26 Cl3 F6 N2 P -","- C76 H52 Cl6 F12 N4 P2 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1789","0.0819","","","0.1676","0.2014","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124188","7.7498","0.0015","12.172","0.002","14.327","0.003","82.598","0.004","85.466","0.004","89.091","0.004","1336","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Cl N2 O2 -","- C31 H33 Cl N2 O2 -","- C62 H66 Cl2 N4 O4 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0905","0.0604","","","0.1391","0.1554","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124189","15.8754","0.0012","34.211","0.003","18.0716","0.0015","90","","108.219","0.0018","90","","9322.9","1.3","173","2","173.06","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N O14 -","- C47 H65 N O14 -","- C376 H520 N8 O112 -","8","2","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","0.71073","MoKα","","0.1517","0.1113","","","0.2089","0.2348","","","","","","1.117","","","","has coordinates,has disorder","152485","2020-10-21","18:00:00",""
"4124190","8.5899","0.0011","20.674","0.003","12.1902","0.0015","90","","93.937","0.005","90","","2159.7","0.5","150","2","150.21","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H61 N O14 -","- C41 H61 N O14 -","- C82 H122 N2 O28 -","2","1","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0819","0.0783","","","0.2089","0.2141","","","","","","1.068","","","","has coordinates","152486","2020-10-21","18:00:00",""
"4124191","26.1284","0.0006","26.1284","0.0006","34.1663","0.0009","90","","90","","90","","23325.1","1","150","2","149.94","","","","","","","","","5","I 4/m","-I 4","87","","","","- C123 H199 Cu6 N27 O50 -","- C124 H118 Cu12 N16 O60 -","- C496 H472 Cu48 N64 O240 -","4","0.25","","Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.","Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.","Journal of the American Chemical Society","2015","","","150723135020006","","10.1021/jacs.5b04674","","","1.54178","CuKα","","0.0786","0.0761","","","0.2164","0.2189","","","","","","1.116","","","","has coordinates","152487","2020-10-21","18:00:00",""
"4124192","15.2227","0.001","17.5544","0.0012","20.4454","0.0015","71.201","0.004","74.532","0.004","70.716","0.004","4802.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C166 H190 Cl22 N32 Na4 O44 -","4","2","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.0678","0.0489","","","0.1374","0.1481","","","","","","1.176","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124193","36.269","0.003","13.8644","0.0011","22.4297","0.0016","90","","116.552","0.003","90","","10089.1","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Cl6 I N8 Na O7 -","- C42 H50 Cl6 I N8 Na O7 -","- C336 H400 Cl48 I8 N64 Na8 O56 -","8","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.114","0.0638","","","0.1642","0.187","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124194","12.0155","0.0003","12.3473","0.0003","12.638","0.0004","105.802","0.001","105.396","0.001","100.865","0.001","1669.22","0.08","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H41 N7 O5 -","- C35.998 H40.992 N7 O4.998 -","- C71.996 H81.984 N14 O9.996 -","2","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.074","0.0529","","","0.1296","0.1432","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124195","16.51","0.004","16.51","0.004","16.634","0.004","90","","90","","120","","3926.6","1.6","173.15","","173.15","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C80 H50 N6 O24 -","- C80 H50 N6 O24 -","- C160 H100 N12 O48 -","2","0.166667","","Meng, Zheng; Han, Ying; Wang, Li-Na; Xiang, Jun-Feng; He, Sheng-Gui; Chen, Chuan-Feng","Stepwise Motion in a Multivalent [2](3)Catenane.","Journal of the American Chemical Society","2015","137","30","9739","9745","10.1021/jacs.5b05758","","","0.71073","MoKα","","0.1359","0.1328","","","0.3589","0.3617","","","","","","1.198","","","","has coordinates","154631","2020-10-21","18:00:00",""
"4124196","31.5657","0.0003","27.3633","0.0004","18.7149","0.0002","90","","90","","90","","16164.8","0.3","292","2","292","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Liao, Lingwen; Zhou, Shiming; Dai, Yafei; Liu, Liren; Yao, Chuanhao; Fu, Cenfeng; Yang, Jinlong; Wu, Zhikun","Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.","Journal of the American Chemical Society","2015","137","30","9511","9514","10.1021/jacs.5b03483","","","1.54184","CuKα","","0.151","0.1409","","","0.3305","0.3429","","","","","","1.351","","","","has coordinates","154623","2020-10-21","18:00:00",""
"4124197","8.5247","0.0003","9.749","0.0004","20.5673","0.0007","90","","90","","90","","1709.29","0.11","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3hnb","","","- C18 H13 Cl3 N2 O -","- C18 H13 Cl3 N2 O -","- C72 H52 Cl12 N8 O4 -","4","1","","Huo, Haohua; Wang, Chuanyong; Harms, Klaus; Meggers, Eric","Enantioselective, Catalytic Trichloromethylation through Visible-Light-Activated Photoredox Catalysis with a Chiral Iridium Complex.","Journal of the American Chemical Society","2015","137","30","9551","9554","10.1021/jacs.5b06010","","","0.71073","MoKα","","0.0248","0.0233","","","0.0577","0.0583","","","","","","1.068","","","","has coordinates","154624","2020-10-21","18:00:00",""
"4124198","14.008","0.003","15.968","0.003","12.323","0.002","90","","110.095","0.003","90","","2588.6","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C120 H116 N12 O20 S4 -","4","1","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0425","0.0394","","","0.1131","0.1178","","","","","","0.403","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124199","10.845","0.003","11.53","0.003","16.538","0.004","72.117","0.004","80.875","0.004","77.827","0.004","1914","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C88 H76 Br4 N8 O8 S4 -","4","2","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0875","0.0636","","","0.216","0.246","","","","","","0.845","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124200","3.89","0.0003","10.7997","0.0009","11.3951","0.0008","90","","90","","90","","478.72","0.06","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C10 H8 F3 Fe N2 -","- C10 H8 F3 Fe N2 -","- C20 H16 F6 Fe2 N4 -","2","0.25","","Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi","A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.","Journal of the American Chemical Society","2015","137","31","9804","9807","10.1021/jacs.5b06120","","x-ray","0.71073","MoKα","","0.0208","0.0196","","","0.0498","0.0512","","","","","","1.146","","","","has coordinates","154639","2020-10-21","18:00:00",""
"4124201","16.8964","0.0009","21.2575","0.0012","24.1461","0.0013","90","","90","","90","","8672.7","0.8","140","1","140","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H128 Cl N8 Np O -","- C84 H120 Cl N8 Np -","- C336 H480 Cl4 N32 Np4 -","4","0.5","","Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.","A Linear trans-Bis(imido) Neptunium(V) Actinyl Analog: Np(V)(NDipp)2((t)Bu2bipy)2Cl (Dipp = 2,6-(i)Pr2C6H3).","Journal of the American Chemical Society","2015","137","30","9583","9586","10.1021/jacs.5b06667","","","0.71073","MoKα","","0.058","0.0441","","","0.0946","0.0993","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124202","16.4673","0.0007","8.733","0.0004","12.2472","0.0005","90","","93.6709","0.0005","90","","1757.64","0.13","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0548","0.0477","","","0.1244","0.129","","","","","","1.084","","","","has coordinates","154638","2020-10-21","18:00:00",""
"4124203","8.68159","0.00017","41.9071","0.001","13.1842","0.0002","90","","97.815","0.002","90","","4752.13","0.17","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60.25 Br1.75 N2 O4 -","- C58 H60.248 Br1.751 N2 O4 -","- C232 H240.992 Br7.004 N8 O16 -","4","1","","Ball, Melissa; Fowler, Brandon; Li, Panpan; Joyce, Leo A.; Li, Fang; Liu, Taifeng; Paley, Daniel; Zhong, Yu; Li, Hexing; Xiao, Shengxiong; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Chiral Conjugated Corrals.","Journal of the American Chemical Society","2015","137","31","9982","9987","10.1021/jacs.5b05698","","x-ray","1.54184","CuKα","","0.0768","0.0584","","","0.1268","0.1346","","","","","","1.113","","","","has coordinates,has disorder","154641","2020-10-21","18:00:00",""
"4124204","7.5857","0.0003","23.3505","0.0008","11.7938","0.0004","90","","107.153","0.001","90","","1996.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Be O4 -","- C28 H18 Be O4 -","- C112 H72 Be4 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0474","0.0393","","","0.103","0.1081","","","","","","1.068","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124205","7.4171","0.0006","10.7795","0.0009","12.6104","0.001","95.9","0.001","99.202","0.001","99.786","0.001","971.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0736","0.0516","","","0.1317","0.1438","","","","","","1.096","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124206","7.476","0.0004","23.7689","0.0014","11.245","0.0007","90","","102.886","0.001","90","","1947.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.6 Be0.4 O4 -","- C28 H18 B0.6 Be0.4 O4 -","- C112 H72 B2.4 Be1.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0565","0.0334","","","0.0779","0.0904","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124207","14.3476","0.0019","17.8692","0.0021","12.2628","0.002","90","","121.697","0.009","90","","2675","0.7","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C76 H64 N40 -","2","0.25","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10645","","1.76","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124208","8.5848","0.0003","9.3511","0.0004","10.8735","0.0004","90","","91.296","0.002","90","","872.67","0.06","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B N4 -","- C7 H9 B N4 -","- C28 H36 B4 N16 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0402","0.038","","","0.1274","0.13","","","","","","1.579","","","","has coordinates","152740","2020-10-21","18:00:00",""
"4124209","8.1595","0.0002","11.4572","0.0003","12.9894","0.0003","90","","103.963","0.0017","90","","1178.44","0.05","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B N3 -","- C12 H14 B N3 -","- C48 H56 B4 N12 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0491","0.0387","","","0.1054","0.1124","","","","","","1.184","","","","has coordinates","152741","2020-10-21","18:00:00",""
"4124210","17.8586","0.0013","8.3703","0.0006","26.813","0.002","90","","96.883","0.004","90","","3979.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 N5 O2 -","- C49 H47 N5 O2 -","- C196 H188 N20 O8 -","4","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.0821","0.0553","","","0.1325","0.1481","","","","","","1.025","","","","has coordinates,has disorder","152742","2020-10-21","18:00:00",""
"4124211","9.2392","0.0004","15.2056","0.0006","15.345","0.0006","94.735","0.0018","105.045","0.0018","94.651","0.0018","2062.98","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H51 N3 O2 S2 -","- C53 H51 N3 O2 S2 -","- C106 H102 N6 O4 S4 -","2","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.059","0.0443","","","0.1098","0.119","","","","","","1.008","","","","has coordinates","152743","2020-10-21","18:00:00",""
"4124212","31.84","0.004","33.121","0.008","17.559","0.009","90","","91.04","0.04","90","","18514","11","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90.33 H82.5 Cl0.19 F4.86 Mn2 N11.16 O1.76 P0.81 S4 -","- C90.334 H82.501 Cl0.189 F4.866 Mn2 N11.167 O1.756 P0.811 S4 -","- C722.672 H660.008 Cl1.512 F38.928 Mn16 N89.336 O14.048 P6.488 S32 -","8","2","","Gennari, Marcello; Brazzolotto, Deborah; Pécaut, Jacques; Cherrier, Mickael V.; Pollock, Christopher J.; DeBeer, Serena; Retegan, Marius; Pantazis, Dimitrios A.; Neese, Frank; Rouzières, Mathieu; Clérac, Rodolphe; Duboc, Carole","Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.","Journal of the American Chemical Society","2015","137","26","8644","8653","10.1021/jacs.5b04917","","","0.78471","synchrotron","","0.0976","0.0922","","","0.3107","0.3193","","","","","","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124213","21.6751","0.0019","21.6751","0.0019","9.526","0.002","90","","90","","90","","4475.4","1.1","296","2","296","2","300000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.102","0.0831","","","0.2343","0.2714","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124214","21.537","0.002","21.537","0.002","9.417","0.003","90","","90","","90","","4368","1.5","296","2","296","2","660000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1203","0.0973","","","0.2863","0.3358","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124215","21.499","0.004","21.499","0.004","9.41","0.003","90","","90","","90","","4349.4","1.8","296","2","296","2","760000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1108","0.0849","","","0.2372","0.2892","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124216","21.3237","0.0018","21.3237","0.0018","9.287","0.002","90","","90","","90","","4222.8","1","296","2","296","2","1270000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1207","0.1048","","","0.2877","0.3217","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124217","21.2734","0.0017","21.2734","0.0017","9.258","0.003","90","","90","","90","","4189.8","1.4","296","2","296","2","1400000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0956","0.0768","","","0.2093","0.245","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124218","21.1568","0.0005","21.1568","0.0005","9.303","0.004","90","","90","","90","","4164.1","1.8","296","2","296","2","1500000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0736","0.0547","","","0.1205","0.1345","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124219","21.0887","0.0005","21.0887","0.0005","9.254","0.003","90","","90","","90","","4115.6","1.3","296","2","296","2","1980000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0601","0.0423","","","0.1075","0.1207","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124220","20.897","0.015","20.897","0.015","9.21","0.014","90","","90","","90","","4022","7","296","2","296","2","2420000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1182","0.0772","","","0.1893","0.2152","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124221","21.14","0.003","21.14","0.003","8.903","0.002","90","","90","","90","","3978.7","1.2","296","2","296","2","2710000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1413","0.1129","","","0.3092","0.3485","","","","","","1.182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124222","21.6165","0.0006","21.6165","0.0006","9.5995","0.0009","90","","90","","90","","4485.6","0.5","296","2","296","2","120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1265","0.0618","","","0.1298","0.1588","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124223","21.4","0.003","21.4","0.003","9.438","0.002","90","","90","","90","","4322.2","1.3","296","2","296","2","550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1671","0.0955","","","0.2223","0.2718","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124224","21.116","0.003","21.116","0.003","9.5","0.03","90","","90","","90","","4236","13","296","2","296","2","890000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1663","0.0816","","","0.1891","0.234","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124225","20.986","0.002","20.986","0.002","9.26","0.03","90","","90","","90","","4078","13","296","2","296","2","1550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1656","0.0677","","","0.1307","0.1615","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124226","20.717","0.002","20.717","0.002","9.222","0.006","90","","90","","90","","3958","3","296","2","296","2","1870000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2107","0.0758","","","0.153","0.2195","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124227","20.6","0.02","20.6","0.02","9.16","0.02","90","","90","","90","","3887","10","296","2","296","2","2120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.197","0.0766","","","0.1662","0.2199","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124228","20.546","0.005","20.546","0.005","9.061","0.017","90","","90","","90","","3825","7","296","2","296","2","2360000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.3042","0.0775","","","0.1058","0.1628","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124229","20.47","0.02","20.47","0.02","9.24","0.02","90","","90","","90","","3872","10","296","2","296","2","2600000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.486","0.1896","","","0.2743","0.3697","","","","","","1.19","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124230","20.47","0.004","20.47","0.004","9.1","0.1","90","","90","","90","","3813","4","296","2","296","2","2880000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2092","0.0439","","","0.0753","0.1285","","","","","","0.853","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124231","8.5929","0.0002","14.0278","0.0004","18.1009","0.0005","94.727","0.002","101.424","0.002","101.368","0.002","2079.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","1","0.5","","Yoshida, Takuya; Zhou, Wen; Furuyama, Taniyuki; Leznoff, Daniel B.; Kobayashi, Nagao","An Extremely Air-Stable 19π Porphyrinoid.","Journal of the American Chemical Society","2015","137","29","9258","9261","10.1021/jacs.5b05781","","","1.54178","CuKα","","0.0584","0.0472","","","0.1082","0.1172","","","","","","1.073","","","","has coordinates,has disorder","152747","2020-10-21","18:00:00",""
"4124232","8.6152","0.0006","9.5235","0.0005","32.448","0.002","90","","90","","90","","2662.3","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C112 H104 N8 O20 S4 -","4","1","","Zheng, Peng-Fei; Ouyang, Qin; Niu, Sheng-Li; Shuai, Li; Yuan, Yi; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Enantioselective [4 + 1] Annulation Reactions of α-Substituted Ammonium Ylides To Construct Spirocyclic Oxindoles.","Journal of the American Chemical Society","2015","137","29","9390","9399","10.1021/jacs.5b04792","","","0.71073","MoKα","","0.1008","0.0665","","","0.1592","0.1806","","","","","","1.035","","","","has coordinates","152748","2020-10-21","18:00:00",""
"4124233","9.59553","0.00009","33.0018","0.0003","15.41951","0.00015","90","","97.5416","0.001","90","","4840.65","0.08","100.05","0.1","100.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) hexafluorophosphate","","- C54 H43 F6 P4 Re S3 -","- C54 H43 F6 P4 Re S3 -","- C216 H172 F24 P16 Re4 S12 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.0328","0.0292","","","0.0767","0.0787","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124234","9.82948","0.0001","23.6668","0.0002","25.0735","0.0003","90","","94.0071","0.0009","90","","5818.65","0.1","100.05","0.1","100.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H triflate","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) triflate","","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C228 H176 Cl24 F12 O12 P12 Re4 S16 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.042","0.0373","","","0.1195","0.1242","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124235","9.9223","0.0008","14.5222","0.0011","19.3498","0.0015","90","","90","","90","","2788.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 Cl N Rh -","- C31 H47 Cl N Rh -","- C124 H188 Cl4 N4 Rh4 -","4","1","","Wei, Yu; Rao, Bin; Cong, Xuefeng; Zeng, Xiaoming","Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes.","Journal of the American Chemical Society","2015","137","29","9250","9253","10.1021/jacs.5b05868","","","0.71073","MoKα","","0.0185","0.0177","","","0.0452","0.0454","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124236","7.0637","0.0014","10.933","0.002","15.053","0.003","104.402","0.007","90.537","0.007","96.735","0.007","1117.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 N O2 S -","- C23 H37 N O2 S -","- C46 H74 N2 O4 S2 -","2","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1371","0.0603","","","0.1309","0.1626","","","","","","1.031","","","","has coordinates","152752","2020-10-21","18:00:00",""
"4124237","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","Correction to ""A Mononuclear Manganese(II) Complex Demonstrates a Strategy To Simultaneously Image and Treat Oxidative Stress"".","Journal of the American Chemical Society","2015","137","28","9195","","10.1021/jacs.5b06259","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","152753","2020-10-21","18:00:00",""
"4124238","11.3216","0.0006","13.9782","0.0007","28.6736","0.0015","90","","96.2934","0.0011","90","","4510.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Ir P2 -","- C22 H39 Ir P2 -","- C176 H312 Ir8 P16 -","8","2","","Kumar, Akshai; Zhou, Tian; Emge, Thomas J.; Mironov, Oleg; Saxton, Robert J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Dehydrogenation of n-Alkanes by Solid-Phase Molecular Pincer-Iridium Catalysts. High Yields of α-Olefin Product.","Journal of the American Chemical Society","2015","137","31","9894","9911","10.1021/jacs.5b05313","","","0.71073","MoKα","","0.0555","0.0345","","","0.079","0.0882","","","","","","1.007","","","","has coordinates,has disorder","154640","2020-10-21","18:00:00",""
"4124239","15.9778","0.0001","10.3207","0.0001","21.4271","0.0001","90","","105.394","0.0006","90","","3406.6","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(N2iPrN){N(H)SiHPh2}(NPh2)","","- C35 H47 N5 Si Ti -","- C35 H47 N5 Si Ti -","- C140 H188 N20 Si4 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0347","0.0328","","0.0228","0.0226","0.0224","","","","","","1.0535","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124240","10.2115","0.0001","15.0835","0.0002","20.0607","0.0003","90","","96.9475","0.0005","90","","3067.16","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrN){N(H)BC8H14}(NPh2)","","- C31 H50 B N5 Ti -","- C31 H50 B N5 Ti -","- C124 H200 B4 N20 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","0.71073","MoKα","","0.0691","0.0597","","0.0499","0.0465","0.0457","","","","","","1.0624","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124241","10.3975","0.0001","17.0393","0.0002","17.1711","0.0002","90","","99.4352","0.0011","90","","3000.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrNMe)((u-H)2BC8H14)(NPh2)","","- C31 H51 B N4 Ti -","- C31 H51 B N4 Ti -","- C124 H204 B4 N16 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0384","0.0351","","0.0105","0.0103","0.0103","","","","","","1.0936","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124242","15.3311","0.0001","10.3463","0.0001","19.7754","0.0002","90","","111.019","0.001","90","","2928.07","0.05","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti(H){MeC(NiPr)2){N(Bpin)N(Me2)}","","- C26 H51 B N4 O2 Ti -","- C26 H51 B N4 O2 Ti -","- C104 H204 B4 N16 O8 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0453","0.044","","0.0494","0.0491","0.0489","","","","","","1.0514","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124243","8.667","0.0002","15.0475","0.0003","10.996","0.0003","90","","100.199","0.002","90","","1411.4","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti{MeC(NiPr)2){(NBC8H14)}","","- C26 H46 B N3 Ti -","- C26 H46 B N3 Ti -","- C52 H92 B2 N6 Ti2 -","2","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0797","0.0757","","0.09","0.0835","0.0823","","","","","","0.9361","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124244","8.4158","0.0014","15.141","0.002","21.41","0.003","90","","90","","90","","2728.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Chai, Zhuo; Zhu, You-Min; Yang, Pei-Jun; Wang, Shaoyin; Wang, Shaowu; Liu, Zhen; Yang, Gaosheng","Copper(I)-Catalyzed Kinetic Resolution of N-Sulfonylaziridines with Indoles: Efficient Construction of Pyrroloindolines.","Journal of the American Chemical Society","2015","137","32","10088","10091","10.1021/jacs.5b05820","","","0.71073","MoKα","","0.0815","0.0461","","","0.1223","0.1375","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124245","17.7797","0.0004","22.7717","0.0004","31.2128","0.0007","90","","90","","90","","12637.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124.63 H129.15 F9 Lu N9 O22.63 S3 -","- C124.635 H129.175 F9 Lu N9 O22.635 S3 -","- C498.54 H516.7 F36 Lu4 N36 O90.54 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","1.54184","CuKα","","0.0864","0.0704","","","0.1965","0.2147","","","","","","1.039","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124246","17.4187","0.0002","23.0655","0.0003","31.3641","0.0004","90","","90","","90","","12601.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124 H127.02 Eu F9 N9 O22 S3 -","- C124 H127 Eu F9 N9 O22 S3 -","- C496 H508 Eu4 F36 N36 O88 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","0.6889","","","0.0831","0.0755","","","0.2129","0.2214","","","","","","1.076","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124247","50.72","0.03","50.72","0.03","15.502","0.007","90","","90","","120","","34536","3","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C54 H32 O49.44 Zr3 -","- C54 H32 O49.4368 Zr3 -","- C324 H192 O296.621 Zr18 -","6","0.25","","Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai","Piezofluorochromic Metal-Organic Framework: A Microscissor Lift.","Journal of the American Chemical Society","2015","137","32","10064","10067","10.1021/jacs.5b04695","powder diffraction","","0.72959","synchrotron","","","","","","","","","0.00369","2.019","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124248","3.927","0.007","21.98","0.04","15.32","0.03","90","","101.32","0.04","90","","1297","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1261","0.105","","","0.324","0.3406","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124249","3.877","0.007","21.79","0.04","15.21","0.03","90","","101.82","0.04","90","","1258","4","248","","248","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1236","0.1073","","","0.3074","0.3191","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124250","3.8719","0.0014","21.799","0.008","15.258","0.005","90","","101.374","0.018","90","","1262.5","0.8","198","","198","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1199","0.104","","","0.2879","0.2987","","","","","","1.14","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124251","3.85","0.003","21.798","0.019","15.282","0.014","90","","101.06","0.02","90","","1258.7","1.9","148","","148","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1103","0.0658","","","0.1759","0.2386","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124252","3.796","0.009","21.57","0.05","15.14","0.03","90","","100.77","0.05","90","","1218","5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1332","0.1079","","","0.2882","0.3052","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124253","22.398","0.01","14.93","0.006","22.677","0.01","90","","117.472","0.006","90","","6728","5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl N2 Ti -","- C38 H55 Cl N2 Ti -","- C304 H440 Cl8 N16 Ti8 -","8","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1883","0.0965","","","0.2524","0.3226","","","","","","1.03","","","","has coordinates","154663","2020-10-21","18:00:00",""
"4124254","20.797","0.018","8.479","0.007","18.876","0.016","90","","114.132","0.015","90","","3038","4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl Hf N2 -","- C33.99 H42.985 Cl Hf N2 -","- C135.96 H171.94 Cl4 Hf4 N8 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1275","0.0666","","","0.1245","0.1428","","","","","","1.003","","","","has coordinates,has disorder","154663","2020-10-21","18:00:00",""
"4124255","11.374","0.0006","12.3617","0.0006","15.9539","0.0011","104.163","0.007","100.372","0.007","103.601","0.008","2045.7","0.2","203","2","203","2","","","","","","","","3","P 1","P 1","1","","(2R,4aR,9aS,10R,10aR)-10-(benzyloxy)-7-methylene-2- phenyloctahydro-4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","4","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","1.54187","CuKα","","0.071","0.045","","","0.0972","0.1354","","","","","","1.19","","","","has coordinates","154664","2020-10-21","18:00:00",""
"4124256","11.1588","0.0006","9.3746","0.0006","12.4312","0.0007","90","","97.56","0.003","90","","1289.12","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","0.71073","MoKα","","0.0489","0.0416","","","0.1162","0.1227","","","","","","0.934","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124257","12.331","0.0019","23.721","0.004","18.341","0.003","90","","94.46","0.002","90","","5348.6","1.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H0 La2 N0 Ni0 S6 -","- C105 La2 S6 -","- C420 La8 S24 -","4","1","","Cai, Wenting; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Anomalous Compression of D5(450)-C100 by Encapsulating La2C2 Cluster instead of La2.","Journal of the American Chemical Society","2015","137","32","10292","10296","10.1021/jacs.5b05668","","","0.71073","MoKα","","0.1717","0.1246","","","0.3973","0.4384","","","","","","1.653","","","","has coordinates,has disorder","154668","2020-10-21","18:00:00",""
"4124258","8.8064","0.00016","5.77199","0.0001","11.9726","0.0002","90","","111.463","0.0011","90","","566.371","0.018","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Egami, Hiromichi; Asada, Junshi; Sato, Kentaro; Hashizume, Daisuke; Kawato, Yuji; Hamashima, Yoshitaka","Asymmetric Fluorolactonization with a Bifunctional Hydroxyl Carboxylate Catalyst.","Journal of the American Chemical Society","2015","137","32","10132","10135","10.1021/jacs.5b06546","","","1.54184","CuKα","","0.0352","0.033","","","0.0783","0.0875","","","","","","1.099","","","","has coordinates","154660","2020-10-21","18:00:00",""
"4124259","6.3335","0.0006","38.2","0.003","19.9859","0.0012","90","","92.539","0.007","90","","4830.6","0.7","180.01","0.11","180.01","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O12 Si2 -","- C48 H72 O12 Si2 -","- C192 H288 O48 Si8 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.7107","MoKα","","0.0752","0.0545","","","0.1243","0.131","","","","","","1.066","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124260","6.3154","0.001","11.6172","0.0016","35.175","0.004","90","","90.05","","90","","2580.7","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.71073","MoKα","","0.0899","0.0575","","","0.1218","0.1393","","","","","","1.032","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124261","3.6802","0.0005","3.6802","0.0005","5.0307","0.0007","90","","90","","90","","68.135","0.016","298","","298","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.125","","Lai, Xiaofang; Zhang, Hui; Wang, Yingqi; Wang, Xin; Zhang, Xian; Lin, Jianhua; Huang, Fuqiang","Observation of Superconductivity in Tetragonal FeS.","Journal of the American Chemical Society","2015","137","32","10148","10151","10.1021/jacs.5b06687","powder diffraction","","1.5418","CuKα","","","","","","","","","1.2598","1.16","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124262","25.702","0.002","41.352","0.003","42.316","0.004","85.374","0.005","86.233","0.006","88.853","0.006","44726","6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C350 H350 Au130 S50 -","- C88 Au130 S50 -","- C352 Au520 S200 -","4","2","","Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R.; Rosi, Nathaniel L.; Jin, Rongchao","Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.","Journal of the American Chemical Society","2015","137","32","10076","10079","10.1021/jacs.5b05378","","","1.54178","CuKα","","0.2895","0.2053","","","0.4925","0.5256","","","","","","1.88","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124263","21.1116","0.0009","14.6974","0.0006","25.2571","0.0011","90","","96.565","0.002","90","","7785.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sc2C2@C2v(9)-C86 . Ni(OEP) . 2 C7H8","","","- C138 H60 N4 Ni Sc2 -","- C138 H60 N4 Ni Sc2 -","- C552 H240 N16 Ni4 Sc8 -","4","1","","Chen, Chia-Hsiang; Ghiassi, Kamran B.; Cerón, Maira R; Guerrero-Ayala, Miguel A; Echegoyen, Luis; Olmstead, Marilyn M.; Balch, Alan L.","Beyond the Butterfly: Sc2C2@C2v(9)-C86, an Endohedral Fullerene Containing a Planar, Twisted Sc2C2 Unit with Remarkable Crystalline Order in an Unprecedented Carbon Cage.","Journal of the American Chemical Society","2015","137","32","10116","10119","10.1021/jacs.5b06425","","","0.7749","synchrotron","","0.0685","0.0493","","","0.1111","0.1224","","","","","","1.023","","","","has coordinates,has disorder","154659","2020-10-21","18:00:00",""
"4124264","20.3453","0.0014","20.5485","0.0014","24.4033","0.0017","93.763","0.003","98.158","0.004","100.57","0.003","9883.4","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C333 H222 B15.5 F89 Fe8 N106.5 O2 S -","2","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","0.6889","synchrotron","","0.1409","0.1117","","","0.3063","0.3314","","","","","","0.985","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124265","25.1666","0.0011","25.5055","0.0009","37.0688","0.0015","90","","90.871","0.002","90","","23791.2","1.6","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C844 H690 B8 F176 Fe16 N206 O96 S48 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","1.54178","CuKα","","0.1357","0.0896","","","0.2245","0.251","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124266","16.305","0.0013","19.6419","0.0015","18.129","0.0014","90","","93.213","0.003","90","","5796.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F12 N5 O4 P2 Ru -","- C27 H19 F12 N5 O4 P2 Ru -","- C216 H152 F96 N40 O32 P16 Ru8 -","8","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.1346","0.0728","","","0.1537","0.1855","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124267","18.7358","0.0007","28.704","0.0011","9.5921","0.0004","90","","90","","90","","5158.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 N5 O5.5 Ru -","- C28 H24 N5 O5.5 Ru -","- C224 H192 N40 O44 Ru8 -","8","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.0439","0.0384","","","0.088","0.091","","","","","","1.03","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124268","8.6402","0.0008","15.9864","0.0015","19.0675","0.0017","91.533","0.003","92.887","0.003","96.953","0.004","2609.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 F6 N5 O4 P Ru -","- C27 H19 F6 N5 O4 P Ru -","- C108 H76 F24 N20 O16 P4 Ru4 -","4","2","","Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, Jordi; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni","Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex.","Journal of the American Chemical Society","2015","","","150812101708002","","10.1021/jacs.5b06541","","","0.71073","MoKα","","0.112","0.0689","","","0.1222","0.1365","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124269","6.9326","0.0002","20.5641","0.0005","17.2667","0.0005","90","","94.577","0.002","90","","2453.74","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cpting-05280-Major-P1","maimone55","","- C27 H42 O3 -","- C27 H42 O3 -","- C108 H168 O12 -","4","1","","Ting, Chi P.; Maimone, Thomas J.","Total Synthesis of Hyperforin.","Journal of the American Chemical Society","2015","","","150813145147009","","10.1021/jacs.5b06939","","","1.54178","CuKα","","0.0678","0.0437","","","0.1054","0.1166","","","","","","1.019","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124270","4.5123","0.0007","13.439","0.002","11.8813","0.0019","90","","95.021","0.002","90","","717.73","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C12 H20 N28 O12 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","0.71073","MoKα","","0.0343","0.0314","","","0.0824","0.0846","","","","","","1.133","","","","has coordinates,has disorder","153435","2020-10-21","18:00:00",""
"4124271","6.7317","0.0015","17.461","0.004","6.6634","0.0015","90","","109.764","0.005","90","","737.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O3 -","- C3 H6 N8 O3 -","- C12 H24 N32 O12 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","1.54178","CuKα","","0.0333","0.0301","","","0.0789","0.0818","","","","","","1.051","","","","has coordinates","153436","2020-10-21","18:00:00",""
"4124272","6.6282","0.0001","9.0232","0.0002","13.2843","0.0002","90","","99.631","0.001","90","","783.3","0.02","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","1.54178","CuKα","","0.0397","0.0394","","","0.1049","0.1054","","","","","","1.084","","","","has coordinates","153437","2020-10-21","18:00:00",""
"4124273","11.307","0.0009","12.8847","0.001","17.5087","0.0013","82.264","0.002","75.065","0.002","84.322","0.002","2436.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.07 H78 Fe3 N6 O2.12 -","- C51.07 H78 Fe3 N6 O2.14 -","- C102.14 H156 Fe6 N12 O4.28 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.1058","0.045","","","0.0765","0.0875","","","","","","0.866","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124274","12.0292","0.0006","12.4274","0.0006","17.1641","0.0008","103.454","0.001","101.378","0.001","91.08","0.001","2440.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 Br3 Co3 N6 O -","- C49 H71 Br3 Co3 N6 O -","- C98 H142 Br6 Co6 N12 O2 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0499","0.0344","","","0.0967","0.1007","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124275","9.016","0.0003","9.016","0.0003","3.9403","0.0002","90","","90","","120","","277.388","0.019","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C F Mg O3 Rb -","- C F Mg O3 Rb -","- C3 F3 Mg3 O9 Rb3 -","3","0.25","","Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv","RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material.","Journal of the American Chemical Society","2015","","","150814134038006","","10.1021/jacs.5b06519","","","0.71073","MoKα","","0.0087","0.0086","","","0.0199","0.0199","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124276","8.637","0.0001","14.8229","0.0002","16.2008","0.0002","85.64","0.001","84.1","0.001","82.119","0.001","2039.6","0.04","170","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H62 K N3 O2 Si6 Th -","- C22 H62 K N3 O2 Si6 Th -","- C44 H124 K2 N6 O4 Si12 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.0444","0.039","","","0.0912","0.0951","","","","","","1.099","","","","has coordinates","154654","2020-10-21","18:00:00",""
"4124277","12.2166","0.0004","14.0289","0.0005","19.5008","0.0007","84.295","0.003","82.139","0.003","71.601","0.003","3135.9","0.2","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H95 K N4 O6 Si6 Th -","- C42 H95 K N4 O6 Si6 Th -","- C84 H190 K2 N8 O12 Si12 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.0744","0.0453","","","0.0757","0.0828","","","","","","0.987","","","","has coordinates","154654","2020-10-21","18:00:00",""
"4124278","13.1981","0.0003","13.8897","0.0003","18.8942","0.0004","94.64","0.002","94.357","0.002","116.604","0.002","3062.21","0.13","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H86 K2 N4 O2 Si4 Th -","- C44 H86 K2 N4 O2 Si4 Th -","- C88 H172 K4 N8 O4 Si8 Th2 -","2","1","","Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.","Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.","Journal of the American Chemical Society","2015","","","150814165612001","","10.1021/jacs.5b06630","","","0.71073","MoKα","","0.047","0.0367","","","0.089","0.0927","","","","","","1.028","","","","has coordinates,has disorder","154654","2020-10-21","18:00:00",""
"4124279","7.8946","0.0006","12.0793","0.0009","14.7171","0.0011","90","","90","","90","","1403.44","0.18","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","NTK-IV-86-I","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Kadunce, Nathaniel T.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling between Heteroaryl Iodides and α-Chloronitriles.","Journal of the American Chemical Society","2015","","","150813153136005","","10.1021/jacs.5b06466","","","1.54178","CuKα","","0.0277","0.0273","","","0.0712","0.0717","","","","","","1.059","","","","has coordinates","153467","2020-10-21","18:00:00",""
"4124280","24.6453","0.0007","19.6437","0.0005","19.8192","0.0006","90","","90.3251","0.0017","90","","9594.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97.97 H145.53 N8 O4 Zr2 -","- C97.97 H145.528 N8 O4 Zr2 -","- C391.88 H582.112 N32 O16 Zr8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Labinger, Jay A.; Bercaw, John E.","Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an NHC-Zirconium Complex.","Journal of the American Chemical Society","2015","","","150817104804004","","10.1021/jacs.5b06695","","","1.54178","CuKα","","0.0915","0.0652","","","0.1551","0.1704","","","","","","1.072","","","","has coordinates,has disorder","153474","2020-10-21","18:00:00",""
"4124281","8.806","0.0013","7.9706","0.0012","13.1908","0.0018","90","","91.445","0.003","90","","925.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F2 N O2 S -","- C9 H5 F2 N O2 S -","- C36 H20 F8 N4 O8 S4 -","4","1","","Zhu, Dianhu; Gu, Yang; Lu, Long; Shen, Qilong","N-Difluoromethylthiophthalimide: A Shelf-Stable, Electrophilic Reagent for Difluoromethylthiolation.","Journal of the American Chemical Society","2015","","","150818092125007","","10.1021/jacs.5b03170","","","0.71073","MoKα","","0.0509","0.0407","","","0.1029","0.1096","","","","","","1.066","","","","has coordinates","153526","2020-10-21","18:00:00",""
"4124282","13.752","0.003","7.988","0.0017","31.023","0.007","90","","91.439","0.003","90","","3406.8","1.3","93","","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 N3 O Pd -","- C40 H45 N3 O Pd -","- C160 H180 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.047","0.0405","","","0.0799","0.083","","","","","","1.116","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124283","24.908","0.013","8.305","0.004","19.609","0.01","90","","99.767","0.008","90","","3998","3","93","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N4 O2 Pd2 -","- C48 H52 N4 O2 Pd2 -","- C192 H208 N16 O8 Pd8 -","4","0.5","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0474","0.0412","","","0.0882","0.0919","","","","","","1.117","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124284","6.0063","0.0004","12.1809","0.001","14.037","0.001","90","","95.397","0.002","90","","1022.42","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0509","0.038","","","0.0897","0.0973","","","","","","1.059","","","","has coordinates,has disorder","154648","2020-10-21","18:00:00",""
"4124285","21.2698","0.0009","9.5532","0.0003","24.2485","0.0012","90","","113.778","0.006","90","","4508.9","0.4","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C45 H11 F20 N4 O4 Pt -","- C45 H11 F20 N4 O4 Pt -","- C180 H44 F80 N16 O16 Pt4 -","4","0.5","","Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long","Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.","Journal of the American Chemical Society","2015","","","150817162021003","","10.1021/jacs.5b06332","","","0.7107","MoKα","","0.053","0.0358","","","0.0946","0.1064","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124286","22.2705","0.0009","22.2705","0.0009","17.9544","0.0007","90","","90","","120","","7711.9","0.5","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C44.67 H37 N6.33 -","- C44.6667 H37.0002 N6.33333 -","- C402 H333.002 N57 -","9","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0328","0.0303","","","0.0782","0.0803","","","","","","1.038","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124287","22.3679","0.0012","22.3679","0.0012","17.9046","0.001","90","","90","","120","","7757.9","0.7","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C122 H117 N19 -","- C122 H117.001 N19 -","- C366 H351.002 N57 -","3","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0374","0.0357","","","0.0929","0.0946","","","","","","1.021","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124288","9.9084","0.0004","26.6982","0.0009","15.8321","0.0006","90","","99.632","0.002","90","","4129.1","0.3","100","2","99.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H32 F6 N4 P -","- C36 H32 F6 N4 P -","- C144 H128 F24 N16 P4 -","4","1","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.1168","0.0891","","","0.2626","0.2768","","","","","","1.076","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124289","12.2628","0.0003","18.0788","0.0004","20.8997","0.0005","75.7972","0.0018","81.3662","0.0019","75.8437","0.0019","4335.3","0.18","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C103.24 H114.87 Cr N10.62 O0.05 -","- C103.244 H114.866 Cr N10.622 O0.053 -","- C206.488 H229.732 Cr2 N21.244 O0.106 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0717","0.0637","","","0.1812","0.1908","","","","","","1.022","","","","has coordinates,has disorder","154645","2020-10-21","18:00:00",""
"4124290","26.3976","0.0009","11.7278","0.0005","15.5037","0.0006","90","","125.896","0.005","90","","3888.2","0.4","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H54 N3 O2 U -","- C41 H54.586 N3 O2 U -","- C164 H218.344 N12 O8 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54178","CuKα","","0.0616","0.0574","","","0.1469","0.1492","","","","","","1.066","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124291","9.6181","0.0002","18.6227","0.0004","22.601","0.0005","90","","90","","90","","4048.18","0.15","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H60 N3 O U -","- C45 H60 N3 O U -","- C180 H240 N12 O4 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0403","0.0255","","","0.0583","0.0622","","","","","","1.002","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124292","12.1266","0.0008","22.268","0.0015","14.529","0.0008","90","","104.098","0.004","90","","3805.2","0.4","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 N3 O2 U -","- C37 H46 N3 O2 U -","- C148 H184 N12 O8 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54184","CU-Kα","","0.071","0.064","","","0.179","0.186","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124293","6.5106","0.0009","16.465","0.003","17.701","0.003","90","","90","","90","","1897.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.04","0.0351","","","0.0825","0.0857","","","","","","1.024","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124294","19.3133","0.001","8.6913","0.0004","18.1902","0.0013","90","","99.683","0.005","90","","3009.9","0.3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.25 H39 Cl N O3.25 -","- C28.25 H39 Cl N O3.25 -","- C113 H156 Cl4 N4 O13 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.1655","0.0996","","","0.2531","0.3085","","","","","","1.006","","","","has coordinates,has disorder","154649","2020-10-21","18:00:00",""
"4124295","22.3539","0.0006","22.3539","0.0006","7.4198","0.0002","90","","90","","120","","3210.92","0.15","100","2","99.98","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C126 H192 Cl6 N6 O12 -","6","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.04","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124296","10.51406","0.00015","12.032","0.00016","24.8572","0.0003","90","","92.3407","0.0012","90","","3141.94","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 B F4 O4 P Ru -","- C29 H50 B F4 O4 P Ru -","- C116 H200 B4 F16 O16 P4 Ru4 -","4","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0359","0.0283","","","0.0606","0.0643","","","","","","1.056","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124297","10.29093","0.00013","18.577","0.0003","31.942","0.0004","90","","90","","90","","6106.5","0.15","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H48 B F4 O3 P Ru -","- C28 H48 B F4 O3 P Ru -","- C224 H384 B8 F32 O24 P8 Ru8 -","8","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.0443","0.0404","","","0.0943","0.0966","","","","","","1.093","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124298","8.675","0.0011","8.9404","0.0012","10.7831","0.0015","90","","90.99","0.002","90","","836.19","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71075","MoKα","","0.0366","0.0328","","","0.092","0.0942","","","","","","1.07","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124299","7.7848","0.0005","13.5323","0.001","16.7476","0.0018","96.955","0.008","99.289","0.008","90.68","0.006","1727.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(rac) 4-chloro2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C64 H48 Cl8 F8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1567","0.0865","","","0.2187","0.2436","","","","","","0.963","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124300","7.9508","0.0007","7.0951","0.0009","15.8626","0.0015","90","","95.565","0.009","90","","890.62","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-4-chloro 2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1109","0.0502","","","0.0994","0.1167","","","","","","0.851","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124301","7.8577","0.0008","7.8314","0.0006","14.1039","0.0012","90","","105.477","0.01","90","","836.44","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-chloro 4-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0667","0.0453","","","0.0923","0.0974","","","","","","0.935","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124302","10.0845","0.0009","5.3717","0.0005","30.358","0.004","90","","91.802","0.012","90","","1643.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S) 3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.096","0.0813","","","0.1986","0.2052","","","","","","1.132","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124303","9.7454","0.0019","5.5417","0.0006","31.396","0.004","90","","95.094","0.015","90","","1688.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-bromomandelic acid","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0771","0.0572","","","0.1248","0.1296","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124304","8.316","0.0018","11.855","0.003","8.4526","0.0018","90","","93.82","0.007","90","","831.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71073","MoKα","","0.0744","0.056","","","0.1313","0.1416","","","","","","1.057","","","","has coordinates,has disorder","154650","2020-10-21","18:00:00",""
"4124305","9.8701","0.0008","5.4344","0.0006","30.656","0.002","90","","95.26","0.008","90","","1637.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0724","0.0434","","","0.0813","0.0862","","","","","","0.829","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124306","6.4658","0.0003","4.376","0.0002","13.3745","0.0006","90","","90","","90","","378.42","0.03","100","2","99.96","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Rb Te -","- Cu Rb Te -","- Cu4 Rb4 Te4 -","4","0.5","","Vermeer, Michael J DeVries; Zhang, Xiuwen; Trimarchi, Giancarlo; Donakowski, Martin D.; Chupas, Peter J.; Poeppelmeier, Kenneth R.; Zunger, Alex","Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network.","Journal of the American Chemical Society","2015","137","35","11383","11390","10.1021/jacs.5b06182","","","0.71073","MoKα","","0.0465","0.0403","","","0.094","0.0966","","","","","","1.134","","","","has coordinates","160534","2020-10-21","18:00:00",""
"4124307","17.0695","0.0003","6.7893","0.00012","10.31637","0.00018","90","","91.8954","0.0017","90","","1194.91","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C52 H52 Si4 -","2","0.5","","Sangtarash, Sara; Huang, Cancan; Sadeghi, Hatef; Sorohhov, Gleb; Hauser, Jürg; Wandlowski, Thomas; Hong, Wenjing; Decurtins, Silvio; Liu, Shi-Xia; Lambert, Colin J.","Searching the Hearts of Graphene-like Molecules for Simplicity, Sensitivity, and Logic.","Journal of the American Chemical Society","2015","137","35","11425","11431","10.1021/jacs.5b06558","","x-ray","0.71073","MoKα","","0.0513","0.043","","","0.112","0.1177","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124308","5.4021","0.0011","8.6247","0.0017","19.004","0.004","77.45","0.03","82.55","0.03","89.45","0.03","856.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","1","0.5","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.1607","0.1201","","","0.2965","0.3247","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124309","21.7101","0.0005","7.1557","0.0001","10.9015","0.0008","90","","116.571","0.008","90","","1514.69","0.16","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Br N -","- C17 H19 Br N -","- C68 H76 Br4 N4 -","4","1","","White, Derick R.; Hutt, Johnathon T.; Wolfe, John P.","Asymmetric Pd-Catalyzed Alkene Carboamination Reactions for the Synthesis of 2-Aminoindane Derivatives.","Journal of the American Chemical Society","2015","137","35","11246","11249","10.1021/jacs.5b07203","","","1.54178","CuKα","","0.0448","0.0418","","","0.1083","0.1112","","","","","","1.043","","","","has coordinates","160533","2020-10-21","18:00:00",""
"4124310","6.8381","0.0003","7.5909","0.0003","8.7535","0.0004","79.408","0.002","78.421","0.002","72.627","0.002","421.07","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Metternich, Jan B.; Gilmour, Ryan","A Bio-Inspired, Catalytic E →Z Isomerization of Activated Olefins.","Journal of the American Chemical Society","2015","137","35","11254","11257","10.1021/jacs.5b07136","","","1.54178","CuKα","","0.0499","0.0389","","","0.1027","0.1106","","","","","","1.037","","","","has coordinates","160532","2020-10-21","18:00:00",""
"4124311","9.7854","0.0002","15.4462","0.0003","22.2111","0.0004","90","","90","","90","","3357.15","0.11","113","2","113","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","Laine_Dyad_2014","[Py(ph)2-TP+](BF4)","","- C41 H31 B Cl2 F4 N2 -","- C41 H31 B Cl2 F4 N2 -","- C164 H124 B4 Cl8 F16 N8 -","4","1","","Lachmanová, Štěpánka; Dupeyre, Grégory; Tarábek, Ján; Ochsenbein, Philippe; Perruchot, Christian; Ciofini, Ilaria; Hromadová, Magdaléna; Pospíšil, Lubomír; Lainé, Philippe P","Kinetics of Multielectron Transfers and Redox-Induced Structural Changes in N-Aryl-Expanded Pyridiniums: Establishing Their Unusual, Versatile Electrophoric Activity.","Journal of the American Chemical Society","2015","137","35","11349","11364","10.1021/jacs.5b05545","","","1.54178","CuKα","","0.0556","0.0551","","","0.1854","0.1862","","","","","","2.1","","","","has coordinates","160531","2020-10-21","18:00:00",""
"4124322","15.7816","0.0008","16.2894","0.0007","11.9362","0.0006","90","","107.029","0.002","90","","2933.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cu N2 O5 -","- C31 H40 Cu N2 O5 -","- C124 H160 Cu4 N8 O20 -","4","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.0933","0.0522","","","0.1233","0.1439","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124323","20.0941","0.001","22.6578","0.0012","24.6497","0.0014","89.59","0.003","89.825","0.003","88.059","0.003","11215.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H208 Cu6 N16 O24 -","- C176 H208 Cu6 N16 O24 -","- C352 H416 Cu12 N32 O48 -","2","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.1953","0.1291","","","0.3531","0.3798","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124324","11.0486","0.0003","5.4958","0.0002","14.194","0.0004","90","","96.3784","0.0011","90","","856.54","0.05","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 -","- C22 H19 F3 -","- C44 H38 F6 -","2","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.0286","0.0282","","","0.0776","0.078","","","","","","1.033","","","","has coordinates","154226","2020-10-21","18:00:00",""
"4124325","5.66013","0.0001","13.3182","0.0002","23.7538","0.0004","90","","90","","90","","1790.63","0.05","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F2 O -","- C23 H20 F2 O -","- C92 H80 F8 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.029","0.028","","","0.0726","0.0734","","","","","","1.061","","","","has coordinates","154227","2020-10-21","18:00:00",""
"4124326","19.958","0.003","19.786","0.003","16.513","0.002","90","","102.162","0.002","90","","6374.4","1.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H23 B2 F32 N4 O4 -","- C72 H23 B2 F32 N4 O4 -","- C288 H92 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0863","0.0547","","","0.1289","0.146","","","","","","1.052","","","","has coordinates","154228","2020-10-21","18:00:00",""
"4124327","11.374","0.002","20.799","0.004","14.4","0.003","90","","99.032","0.003","90","","3364.3","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O4 -","- C76 H32 B2 F30 N4 O4 -","- C152 H64 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.089","0.0539","","","0.0994","0.1123","","","","","","1.035","","","","has coordinates","154229","2020-10-21","18:00:00",""
"4124328","19.915","0.003","19.847","0.003","16.513","0.003","90","","102.719","0.003","90","","6366.7","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H24 B2 F30 N4 O4 -","- C72 H24 B2 F30 N4 O4 -","- C288 H96 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1219","0.0529","","","0.0948","0.1211","","","","","","0.994","","","","has coordinates","154230","2020-10-21","18:00:00",""
"4124329","11.4404","0.0009","20.9135","0.0016","14.3076","0.0011","90","","99.72","0.001","90","","3374.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O6 -","- C76 H32 B2 F30 N4 O6 -","- C152 H64 B4 F60 N8 O12 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","","","0.0738","0.0441","","","0.0976","0.114","","","","","","1.003","","","","has coordinates","154231","2020-10-21","18:00:00",""
"4124330","20.0295","0.0019","20.6089","0.0019","16.3863","0.0015","90","","105.092","0.001","90","","6530.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1538","0.0656","","","0.1322","0.1709","","","","","","0.998","","","","has coordinates","154232","2020-10-21","18:00:00",""
"4124331","20.023","0.0014","20.3398","0.0014","16.3764","0.0011","90","","104.496","0.001","90","","6457.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H28 B2 F30 N4 O4 -","- C74 H28 B2 F30 N4 O4 -","- C296 H112 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0914","0.0488","","","0.0968","0.1169","","","","","","0.974","","","","has coordinates","154233","2020-10-21","18:00:00",""
"4124332","11.1604","0.0011","21.035","0.002","14.8978","0.0015","90","","99.764","0.002","90","","3446.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H36 B2 F30 N4 O4 -","- C78 H36 B2 F30 N4 O4 -","- C156 H72 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0579","0.0398","","","0.0976","0.1075","","","","","","1.024","","","","has coordinates","154234","2020-10-21","18:00:00",""
"4124333","11.564","0.002","11.653","0.002","13.974","0.003","90","","95.201","0.005","90","","1875.3","0.6","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0404","0.0356","","","0.0945","0.1201","","","","","","1.131","","","","has coordinates","154235","2020-10-21","18:00:00",""
"4124334","13.3551","0.0011","13.3626","0.0009","18.1872","0.0012","106.141","0.008","106.275","0.008","93.457","0.007","2959","0.4","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","4","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","0.0762","0.0678","","","0.1705","0.1794","","","","","","1.034","","","","has coordinates","154236","2020-10-21","18:00:00",""
"4124335","14.5626","0.0006","11.2082","0.0004","22.4363","0.0007","90","","104.211","0.0012","90","","3550","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 N O4 Si -","- C41 H47 N O4 Si -","- C164 H188 N4 O16 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","","0.0369","","","","0.0937","","","","","","1.043","","","","has coordinates","154237","2020-10-21","18:00:00",""
"4124336","10.0449","0.0007","14.7417","0.001","22.01","0.0015","90","","90","","90","","3259.2","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 N O5 S Si -","- C35 H43 N O5 S Si -","- C140 H172 N4 O20 S4 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0307","0.0285","","","0.0706","0.0712","","","","","","1.054","","","","has coordinates","154238","2020-10-21","18:00:00",""
"4124337","10.6389","0.0003","19.6269","0.0005","18.0403","0.0005","90","","94.072","0.001","90","","3757.46","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ATB_04_088","hartwig74","","- C44 H44 F N4 O P Pd -","- C44 H44 F N4 O P Pd -","- C176 H176 F4 N16 O4 P4 Pd4 -","4","1","","Brusoe, Andrew T.; Hartwig, John F.","Palladium-Catalyzed Arylation of Fluoroalkylamines.","Journal of the American Chemical Society","2015","137","26","8460","8468","10.1021/jacs.5b02512","","","0.71073","MoKα","","0.0351","0.0264","","","0.0538","0.0573","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124338","7.9136","0.0003","12.6651","0.0005","16.0864","0.0006","97.994","0.002","103.127","0.002","94.286","0.002","1545.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 B O5 Si -","- C30 H51 B O5 Si -","- C60 H102 B2 O10 Si2 -","2","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","1.54178","CuKα","","0.0414","0.0379","","","0.1021","0.1051","","","","","","1.049","","","","has coordinates","154240","2020-10-21","18:00:00",""
"4124339","10.8734","0.0006","12.5634","0.0007","21.8982","0.0012","90","","96.059","0.004","90","","2974.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 B2 O7 -","- C26 H52 B2 O7 -","- C104 H208 B8 O28 -","4","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","0.71073","MoKα","","0.0999","0.0524","","","0.11","0.1283","","","","","","1.009","","","","has coordinates","154241","2020-10-21","18:00:00",""
"4124340","7.4835","0.0003","23.7498","0.0011","11.2814","0.0005","90","","103.425","0.001","90","","1950.27","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.72 Be0.28 O4 -","- C28 H18 B0.721 Be0.279 O4 -","- C112 H72 B2.884 Be1.116 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0729","0.0393","","","0.0772","0.0882","","","","","","1.077","","","","has coordinates,has disorder","154242","2020-10-21","18:00:00",""
"4124341","7.5678","0.0003","23.4442","0.0009","11.6354","0.0004","90","","106.103","0.0006","90","","1983.37","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.35 Be0.65 O4 -","- C28 H18 B0.35 Be0.65 O4 -","- C112 H72 B1.4 Be2.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0513","0.0419","","","0.1101","0.1171","","","","","","1.07","","","","has coordinates,has disorder","154243","2020-10-21","18:00:00",""
"4124342","7.4193","0.0005","10.7808","0.0008","12.6115","0.0009","95.9478","0.0011","99.2334","0.0011","99.8081","0.0011","972.19","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0804","0.0539","","","0.1372","0.1515","","","","","","1.026","","","","has coordinates","154244","2020-10-21","18:00:00",""
"4124343","21.647","0.0005","22.0832","0.0005","14.1759","0.0003","90","","92.692","0.002","90","","6769.1","0.3","100","0.16","100","0.16","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C152 H128 N80 -","4","0.5","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","","","1.54178","CuKα","","0.0661","0.0585","","","0.1718","0.1769","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124344","7.4814","0.0005","6.0033","0.0004","27.9363","0.0018","90","","97.0064","0.0008","90","","1245.34","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br F6 O2 -","- C29 H21 Br F6 O2 -","- C58 H42 Br2 F12 O4 -","2","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0434","0.0373","","","0.0888","0.0918","","","","","","1.041","","","","has coordinates","154246","2020-10-21","18:00:00",""
"4124345","14.6894","0.0008","5.9472","0.0003","20.3256","0.0011","90","","98.8906","0.0007","90","","1754.33","0.16","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C88 H76 Br4 O8 -","4","2","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.025","0.023","","","0.0507","0.0514","","","","","","1.051","","","","has coordinates","154247","2020-10-21","18:00:00",""
"4124346","15.9063","0.0004","17.9071","0.0005","17.7071","0.0005","90","","91.981","0.001","90","","5040.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 N4 P2 -","- C58 H68 N4 P2 -","- C232 H272 N16 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0977","0.0516","","","0.1074","0.1274","","","","","","1.038","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124347","12.2499","0.0003","12.3493","0.0003","28.5036","0.0008","90","","91.237","0.002","90","","4310.95","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 Cl2 N2 P2 -","- C48.9998 H51.9996 Cl1.9996 N1.9996 P1.9996 -","- C195.999 H207.998 Cl7.9984 N7.9984 P7.9984 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0975","0.0518","","","0.1169","0.1364","","","","","","1.035","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124348","12.1978","0.0007","12.2551","0.0007","17.9779","0.0011","79.452","0.004","79.089","0.004","78.93","0.003","2559.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H68 N3 P3 -","- C58 H68 N3 P3 -","- C116 H136 N6 P6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1176","0.0599","","","0.132","0.1579","","","","","","1.015","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124349","12.3616","0.0003","15.5017","0.0004","15.7423","0.0004","115.357","0.001","103.209","0.001","98.064","0.001","2554.8","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N3 P2 -","- C62 H64 N3 P2 -","- C124 H128 N6 P4 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0797","0.0474","","","0.1122","0.1309","","","","","","1.017","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124350","24.095","0.007","12.365","0.003","39.032","0.01","90","","106.711","0.011","90","","11138","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H71.43 N3 P3 -","- C65.4335 H71.4335 N3 P3 -","- C523.468 H571.468 N24 P24 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1106","0.0535","","","0.1118","0.134","","","","","","1.024","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124351","13.3318","0.0007","13.3318","0.0007","4.3442","0.0003","90","","90","","90","","772.12","0.08","173","2","173","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","0.25","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0568","0.0385","","","0.0847","0.0956","","","","","","1.048","","","","has coordinates","154248","2020-10-21","18:00:00",""
"4124352","10.002","0.002","10.071","0.002","25.105","0.005","90","","97.61","0.03","90","","2506.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","","Wang, Xuedong; Liao, Qing; Li, Hui; Bai, Shuming; Wu, Yishi; Lu, Xiaomei; Hu, Huaiyuan; Shi, Qiang; Fu, Hongbing","Near-Infrared Lasing from Small-Molecule Organic Hemispheres.","Journal of the American Chemical Society","2015","137","29","9289","9295","10.1021/jacs.5b03051","","","0.71073","MoKα","","0.1462","0.1135","","","0.1978","0.2113","","","","","","1.329","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124353","7.9119","0.0007","10.6627","0.0009","12.1631","0.001","84.422","0.002","85.326","0.002","88.627","0.002","1017.72","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N10 O6 Pd -","- C16 H16 N10 O6 Pd -","- C32 H32 N20 O12 Pd2 -","2","1","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.0483","0.0384","","","0.109","0.1136","","","","","","0.892","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124354","36.935","0.005","36.935","0.005","53.156","0.011","90","","90","","90","","72515","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C720 H1306 N216 O577 Pd24 -","- C720 H440 N216 O144 Pd24 -","- C1440 H880 N432 O288 Pd48 -","2","0.125","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.1285","0.0869","","","0.2436","0.2698","","","","","","0.875","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124355","13.2521","0.0004","16.7844","0.0005","22.512","0.0008","75.947","0.003","75.899","0.003","78.856","0.003","4663","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.82 Cr N8.94 O -","- C99.88 H109.82 Cr N8.94 O -","- C199.76 H219.64 Cr2 N17.88 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.086","0.0491","","","0.1091","0.1174","","","","","","0.787","","","","has coordinates,has disorder","154251","2020-10-21","18:00:00",""
"4124356","13.2613","0.0004","16.7068","0.0005","22.478","0.0008","75.669","0.003","75.927","0.003","78.815","0.003","4632.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.81 Mn N8.94 O -","- C99.876 H109.814 Mn N8.938 O -","- C199.752 H219.628 Mn2 N17.876 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0878","0.058","","","0.1339","0.149","","","","","","1.009","","","","has coordinates,has disorder","154252","2020-10-21","18:00:00",""
"4124357","22.587","0.005","10.845","0.002","10.947","0.002","90","","90","","90","","2681.5","0.9","93","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H35 N3 O Pd -","- C31 H35 N3 O Pd -","- C124 H140 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0473","0.041","","","0.0858","0.0901","","","","","","1.045","","","","has coordinates","154253","2020-10-21","18:00:00",""
"4124358","27.9607","0.001","27.9607","0.001","12.0343","0.0005","90","","90","","90","","9408.4","0.6","93","","93","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H29 N3 O Pd -","- C28 H29 N3 O Pd -","- C448 H464 N48 O16 Pd16 -","16","","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0494","0.0456","","","0.0779","0.0794","","","","","","1.175","","","","has coordinates","154254","2020-10-21","18:00:00",""
"4124359","9.4814","0.0011","6.1821","0.0006","18.619","0.002","90","","98.373","0.007","90","","1079.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0715","0.0432","","","0.0914","0.1025","","","","","","1.023","","","","has coordinates","154255","2020-10-21","18:00:00",""
"4124360","5.29851","0.0001","10.6425","0.0002","22.9174","0.0005","97.3625","0.0011","96.2287","0.0011","90.2865","0.001","1273.84","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cl N O3 -","- C28 H38 Cl N O3 -","- C56 H76 Cl2 N2 O6 -","2","2","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0281","0.0262","","","0.0624","0.0633","","","","","","1.029","","","","has coordinates","154256","2020-10-21","18:00:00",""
"4124361","19.85","0.0004","17.9759","0.0003","16.6953","0.0003","90","","107.113","0.0019","90","","5693.49","0.19","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.78 H82.57 B Cl1.57 F4 O6 P2 Ru2 -","- C54.784 H82.568 B Cl1.568 F4 O6 P2 Ru2 -","- C219.136 H330.272 B4 Cl6.272 F16 O24 P8 Ru8 -","4","0.5","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0401","0.0324","","","0.073","0.0766","","","","","","1.09","","","","has coordinates,has disorder","154257","2020-10-21","18:00:00",""
"4124362","11.44999","0.00018","11.75213","0.00019","23.6747","0.0002","96.5819","0.001","100.933","0.001","111.462","0.0015","2851.36","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H88 B F4 O9 P2 Ru2 -","- C58 H88 B F4 O9 P2 Ru2 -","- C116 H176 B2 F8 O18 P4 Ru4 -","2","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.047","0.0433","","","0.1299","0.1342","","","","","","1.08","","","","has coordinates","154258","2020-10-21","18:00:00",""
"4124363","5.7756","0.0003","23.3531","0.0017","14.5753","0.0012","90","","95.626","0.006","90","","1956.4","0.2","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C96 H80 N8 -","2","0.5","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.109","0.072","","","0.1939","0.2101","","","","","","1.075","","","","has coordinates","154259","2020-10-21","18:00:00",""
"4124364","11.3098","0.0005","18.6329","0.0007","19.8541","0.001","90","","90","","90","","4183.9","0.3","150","0.02","150","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H62 N3 O4 U -","- C45 H62 N3 O4 U -","- C180 H248 N12 O16 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.097","0.062","","","0.108","0.125","","","","","","1.096","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124365","39.196","0.0005","21.6988","0.0003","11.8286","0.0002","90","","90","","90","","10060.3","0.3","150","0.02","150","0.02","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H59 I2 N3 O2 Si2 U -","- C45 H59 I2 N3 O2 Si2 U -","- C360 H472 I16 N24 O16 Si16 U8 -","8","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.079","0.065","","","0.165","0.175","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4124366","21.4076","0.0011","20.0894","0.001","21.4319","0.001","90","","93.2875","0.0016","90","","9202","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N6 O2 P U -","- C47 H72 N6 O2 P U -","- C376 H576 N48 O16 P8 U8 -","8","2","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0446","0.0355","","","0.0703","0.0742","","","","","","1.062","","","","has coordinates","154262","2020-10-21","18:00:00",""
"4124367","12.48","0.0006","18.0646","0.0009","22.6985","0.0011","75.948","0.001","88.467","0.001","71.446","0.001","4699","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H230 Au6 K6 N14 O36 P Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","1","0.5","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.0955","0.0565","","","0.1601","0.1921","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124368","14.5244","0.0011","23.5153","0.0017","27.189","0.002","90","","91.34","0.002","90","","9283.7","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C276 H420 Au12 D60 K12 N36 O72 Sb24 -","4","1","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.1583","0.0607","","","0.1293","0.1666","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124369","13.01","0.03","14.11","0.03","15.26","0.03","90","","103.81","0.03","90","","2720","10","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 N4 O2 Si W -","- C27 H42 N4 O2 Si W -","- C108 H168 N16 O8 Si4 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0484","0.0343","","","0.0612","0.065","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124370","9.407","0.001","11.2192","0.0012","17.9488","0.0019","103.741","0.007","94.638","0.007","104.367","0.007","1762.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H56 N2 O2 Si4 W -","- C29 H56 N2 O2 Si4 W -","- C58 H112 N4 O4 Si8 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0356","0.0295","","","0.0524","0.054","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124371","9.2153","0.0009","22.349","0.002","16.4645","0.0016","90","","100.491","0.007","90","","3334.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 N O2 Si4 W -","- C27 H49 N O2 Si4 W -","- C108 H196 N4 O8 Si16 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0313","0.025","","","0.0468","0.0484","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124372","6.0443","0.0003","30.6647","0.0015","7.1534","0.0003","90","","112.442","0.0013","90","","1225.45","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Robb, Maxwell J.; Moore, Jeffrey S.","A Retro-Staudinger Cycloaddition: Mechanochemical Cycloelimination of a β-Lactam Mechanophore.","Journal of the American Chemical Society","2015","137","34","10946","10949","10.1021/jacs.5b07345","","","1.54178","CuKα","","0.0532","0.046","","","0.1217","0.1279","","","","","","1.055","","","","has coordinates","154267","2020-10-21","18:00:00",""
"4124373","10.1978","0.0009","14.1321","0.0013","25.82","0.002","90","","95.3841","0.0016","90","","3704.7","0.6","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H92 F12 Fe6 N18 O7 P2 -","- C64 H92 F12 Fe6 N18 O7 P2 -","- C128 H184 F24 Fe12 N36 O14 P4 -","2","1","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0667","0.0503","","","0.1157","0.124","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124374","13.4702","0.0013","13.7249","0.0013","14.289","0.002","102.518","0.002","111.315","0.002","110.937","0.001","2108.2","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H104 F18 Fe6 N20 O8 P3 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.058","0.0399","","","0.0935","0.0996","","","","","","0.99","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124375","17.812","0.002","12.6705","0.0015","20.346","0.002","90","","95.7441","0.0019","90","","4568.8","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H118 B4 F16 Fe6 N22 O10 -","- C76 H118 B4 F16 Fe6 N22 O10 -","- C152 H236 B8 F32 Fe12 N44 O20 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0907","0.0852","","","0.1966","0.1988","","","","","","1.333","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124376","15.345","0.003","20.716","0.005","29.732","0.007","90","","103.496","0.004","90","","9190","4","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H125 Fe6 N27 -","- C88 H125 Fe6 N27 -","- C352 H500 Fe24 N108 -","4","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.084","0.074","","","0.1785","0.1822","","","","","","1.179","","","","has coordinates,has disorder","154268","2020-10-21","18:00:00",""
"4124377","12.459","0.004","17.98","0.005","22.485","0.005","90","","113.923","0.013","90","","4604","2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Fe6 N24 -","- C92 H132 Fe6 N24 -","- C184 H264 Fe12 N48 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.1509","0.0609","","","0.113","0.1435","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124378","11.3522","0.0009","11.933","0.0009","12.6036","0.001","81.788","0.001","84.609","0.001","64.472","0.001","1523.9","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0576","0.0513","","","0.1363","0.142","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124379","19.209","0.0007","11.043","0.0004","22.7466","0.001","90","","96.8727","0.0015","90","","4790.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 N2 O2 P Zr -","- C52 H67 N2 O2 P Zr -","- C208 H268 N8 O8 P4 Zr4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Takase, Michael K.; Labinger, Jay A.; Bercaw, John E.","Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an N-Heterocyclic Carbene-Zirconium Complex.","Journal of the American Chemical Society","2015","","","150817104804004","","10.1021/jacs.5b06695","","","0.71073","MoKα","","0.1163","0.0546","","","0.0931","0.1085","","","","","","1.016","","","","has coordinates","154269","2020-10-21","18:00:00",""
"4124380","12.0453","0.0006","9.6343","0.0004","19.4726","0.0008","90","","97.43","0.004","90","","2240.78","0.17","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H3 Cl3 F10 N2 O2 Pt0.5 -","- C22 H3 Cl3 F10 N2 O2 Pt0.5 -","- C88 H12 Cl12 F40 N8 O8 Pt2 -","4","1","","Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long","Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.","Journal of the American Chemical Society","2015","","","150817162021003","","10.1021/jacs.5b06332","","","0.71073","MoKα","","0.0661","0.0475","","","0.1283","0.1448","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124381","4.7182","0.0002","17.4672","0.0006","12.9425","0.0005","90","","91.261","0.001","90","","1066.38","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H10 N12 O2 -","- C4 H10 N12 O2 -","- C16 H40 N48 O8 -","4","1","","Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.","Journal of the American Chemical Society","2015","","","150814061208001","","10.1021/jacs.5b07852","","","0.71073","MoKα","","0.0261","0.0239","","","0.0672","0.0806","","","","","","1.14","","","","has coordinates","154271","2020-10-21","18:00:00",""
"4124382","11.268","0.0012","11.7548","0.0013","18.803","0.002","87.601","0.002","77.471","0.002","69.9286","0.0019","2282.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H69 Co3 N6 O2 -","- C48.957 H69 Co2.975 N6 O1.914 -","- C97.914 H138 Co5.95 N12 O3.828 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.1152","0.0465","","","0.0889","0.1035","","","","","","0.886","","","","has coordinates,has disorder","154272","2020-10-21","18:00:00",""
"4124383","20.6868","0.0016","11.4465","0.0009","22.04","0.002","90","","112.338","0.0012","90","","4827.2","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H74 Co3 N6 -","- C45 H65.97 Co2.975 N6 -","- C180 H263.88 Co11.9 N24 -","4","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0318","0.0292","","","0.0735","0.0743","","","","","","1.022","","","","has coordinates,has disorder","154273","2020-10-21","18:00:00",""
"4124384","11.4622","0.0009","12.6992","0.001","18.1781","0.0014","76.6486","0.0013","89.7234","0.0014","87.3469","0.0014","2571.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H70 Cl4 Fe3 N6 O6 -","- C50 H70 Cl4 Fe3 N6 O6 -","- C100 H140 Cl8 Fe6 N12 O12 -","2","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","0.71073","MoKα","","0.0474","0.0309","","","0.0715","0.0754","","","","","","0.97","","","","has coordinates","154274","2020-10-21","18:00:00",""
"4124385","19.85","0.0003","12.2997","0.0003","42.7542","0.0008","90","","103.41","0.002","90","","10153.8","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H77.92 Fe2.88 N6 -","- C55.5 H77.92 Fe2.88 N6 -","- C444 H623.36 Fe23.04 N48 -","8","1","","Lee, Yousoon; Anderton, Kevin J.; Sloane, Forrest T.; Ermert, David M.; Abboud, Khalil A.; García-Serres, Ricardo; Murray, Leslie J.","Reactivity of Hydride Bridges in High-Spin [3M-3(μ-H)] Clusters (M = Fe(II), Co(II)).","Journal of the American Chemical Society","2015","","","150817071736007","","10.1021/jacs.5b05204","","","1.54178","CuKα","","0.0434","0.0403","","","0.1058","0.1073","","","","","","1.019","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124386","14.5269","0.0002","12.30582","0.00014","19.9237","0.0003","90","","113.843","0.0017","90","","3257.69","0.09","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H28 B F9 N P Ru -","- C37 H28 B F9 N P Ru -","- C148 H112 B4 F36 N4 P4 Ru4 -","4","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0261","0.0247","","","0.0497","0.051","","","","","","1.045","","","","has coordinates","154276","2020-10-21","18:00:00",""
"4124387","9.34095","0.00017","17.7554","0.0003","9.85967","0.00018","90","","102.946","0.0018","90","","1593.68","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 B F8 N P Ru -","- C37 H29 B F8 N P Ru -","- C74 H58 B2 F16 N2 P2 Ru2 -","2","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0322","0.0291","","","0.0588","0.0606","","","","","","1.035","","","","has coordinates","154277","2020-10-21","18:00:00",""
"4124388","8.8392","0.0003","8.8392","0.0003","12.6948","0.0005","90","","90","","90","","991.86","0.06","253","2","253","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","MAPbI3","","","- C H6 I3 N Pb -","- C1.04 H6.24 I3 N1.04 Pb -","- C4.16 H24.96 I12 N4.16 Pb4 -","4","0.125","","Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko","Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements.","Journal of the American Chemical Society","2015","","","150814091520002","","10.1021/jacs.5b04503","","","0.71075","MoKa","","0.0554","0.0546","","","0.1373","0.1381","","","","","","1.31","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4124389","6.7266","0.0001","22.749","0.0004","14.1878","0.0003","90","","96.619","0.001","90","","2156.59","0.07","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 P Zr -","- C23 H35 P Zr -","- C92 H140 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0551","0.0433","","","0.1007","0.109","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124390","16.2565","0.0002","17.3093","0.0002","17.772","0.0002","90","","92.038","0.001","90","","4997.68","0.1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 P Zr -","- C29 H35 P Zr -","- C232 H280 P8 Zr8 -","8","2","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0364","0.0317","","","0.0806","0.0845","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124391","10.4994","0.0001","15.5597","0.0003","12.442","0.0002","90","","108.667","0.001","90","","1925.69","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 P Zr -","- C19 H31 P Zr -","- C76 H124 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0357","0.0313","","","0.074","0.0775","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124392","8.4526","0.0002","17.7543","0.0005","12.2784","0.0003","90","","94.709","0.001","90","","1836.4","0.08","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N Zr -","- C23 H23 N Zr -","- C92 H92 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0283","0.0208","","","0.0486","0.0516","","","","","","1.067","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124393","8.7521","0.0002","26.3644","0.0006","9.3681","0.0002","90","","108.177","0.0014","90","","2053.76","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H31 N Zr -","- C23 H31 N Zr -","- C92 H124 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","1.54178","CuKα","","0.0288","0.0246","","","0.0512","0.0523","","","","","","1.011","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124394","12.2769","0.001","17.2992","0.0013","17.0269","0.0012","90","","98.326","0.003","90","","3578.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H23 B F15 N Zr -","- C41 H23 B F15 N Zr -","- C164 H92 B4 F60 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0443","0.0316","","","0.0655","0.071","","","","","","1.074","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124395","12.3973","0.0005","21.8075","0.0007","17.4117","0.0006","90","","109.691","0.001","90","","4432.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 B F20 N Zr -","- C46 H28 B F20 N Zr -","- C184 H112 B4 F80 N4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.038","0.0313","","","0.0789","0.0817","","","","","","1.055","","","","has coordinates","154279","2020-10-21","18:00:00",""
"4124396","26.1961","0.0004","15.6264","0.0002","22.4599","0.0003","90","","114.931","0.001","90","","8337.2","0.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 B2 F30 N2 O4 Zr2 -","- C84 H62 B2 F30 N2 O4 Zr2 -","- C336 H248 B8 F120 N8 O16 Zr8 -","4","0.5","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.063","0.0532","","","0.1407","0.1471","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124397","12.1525","0.0002","14.0852","0.0003","19.9701","0.0004","75.02","0.001","83.152","0.001","81.283","0.001","3252.49","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H44 B F24 N O2 Zr -","- C68 H44 B F24 N O2 Zr -","- C136 H88 B2 F48 N2 O4 Zr2 -","2","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.1173","0.0847","","","0.1682","0.1924","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124398","14.417","0.0005","16.7451","0.0006","17.0896","0.0006","83.045","0.001","85.707","0.001","65.299","0.001","3719.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H52 B F20 Fe O P Zr -","- C71 H52 B F20 Fe O P Zr -","- C142 H104 B2 F40 Fe2 O2 P2 Zr2 -","2","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.0761","0.0544","","","0.1144","0.1216","","","","","","1.066","","","","has coordinates,has disorder","154279","2020-10-21","18:00:00",""
"4124399","13.0949","0.0002","16.3331","0.0003","38.1047","0.0008","90","","97.386","0.001","90","","8082.2","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H66 B F24 O P Zr -","- C83 H66 B F24 O P Zr -","- C332 H264 B4 F96 O4 P4 Zr4 -","4","1","","Normand, Adrien T.; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Le Gendre, Pierre; Erker, Gerhard","Phosphido- and Amidozirconocene Cation-Based Frustrated Lewis Pair Chemistry.","Journal of the American Chemical Society","2015","","","150811081316009","","10.1021/jacs.5b06551","","","0.71073","MoKα","","0.1993","0.0997","","","0.248","0.2846","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124400","16.764","0.002","5.7286","0.0007","17.464","0.002","90","","92.17","0.003","90","","1675.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl2 O6 -","- C17 H14 Cl2 O6 -","- C68 H56 Cl8 O24 -","4","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0965","0.0576","","","0.1073","0.1284","","","","","","1.038","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124401","9.411","0.0006","7.6061","0.0005","20.4195","0.0014","90","","102.196","0.002","90","","1428.66","0.16","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.094","0.0561","","","0.1268","0.1453","","","","","","1.028","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124402","6.2685","0.0002","13.9005","0.0005","18.6052","0.0005","90","","90","","90","","1621.17","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O4 -","- C17 H18 Cl N O4 -","- C68 H72 Cl4 N4 O16 -","4","1","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0472","0.0376","","","0.0802","0.0846","","","","","","1.028","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124403","5.8957","0.0009","10.6844","0.0016","12.4428","0.0019","96.538","0.004","102.138","0.004","90.841","0.004","760.7","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","2","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","1.54178","CuKα","","0.0516","0.051","","","0.1485","0.1506","","","","","","1.062","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124404","7.4509","0.0004","13.8684","0.0007","18.1247","0.0009","90","","90","","90","","1872.86","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Wang, Yi-Ming; Bruno, Nicholas C.; Placeres, Ángel L; Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective Synthesis of Carbo- and Heterocycles through a CuH-Catalyzed Hydroalkylation Approach.","Journal of the American Chemical Society","2015","137","33","10524","10527","10.1021/jacs.5b07061","","","0.71073","MoKα","","0.0291","0.0274","","","0.0779","0.0792","","","","","","1.093","","","","has coordinates","154282","2020-10-21","18:00:00",""
"4124405","8.1777","0.0003","17.5288","0.0006","18.6171","0.0006","90","","101.375","0.002","90","","2616.25","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H44 B2 N2 O7 -","- C21 H44 B2 N2 O7 -","- C84 H176 B8 N8 O28 -","4","2","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0315","0.0309","","","0.0815","0.0823","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124406","9.7301","0.0005","9.7301","0.0005","28.7268","0.0016","90","","90","","120","","2355.3","0.2","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C41 H36 N2 O -","- C41 H36 N2 O -","- C123 H108 N6 O3 -","3","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","1.54178","CuKα","","0.0269","0.0268","","","0.0681","0.0682","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124407","18.8781","0.0009","12.1056","0.0005","21.2885","0.0009","90","","90","","90","","4865.1","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 B O6 -","- C27 H33 B O6 -","- C216 H264 B8 O48 -","8","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","0.71073","MoKα","","0.084","0.045","","","0.0943","0.111","","","","","","1.009","","","","has coordinates","154285","2020-10-21","18:00:00",""
"4124408","7.62518","0.00009","19.0411","0.0002","32.4846","0.0004","90","","90","","90","","4716.5","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O2 -","- C28 H38 O2 -","- C224 H304 O16 -","8","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0399","0.0369","","","0.0979","0.1014","","","","","","1.019","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124409","31.0988","0.0012","9.8634","0.0003","7.9792","0.0002","90","","90","","90","","2447.54","0.13","180","2","180","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H41 O3.5 -","- C28 H41 O3.5 -","- C112 H164 O14 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0663","0.0523","","","0.1318","0.1395","","","","","","1.121","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124410","11.4236","0.0008","7.3166","0.0004","12.1844","0.0008","90","","109.39","0.008","90","","960.63","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O2 -","- C23 H36 O2 -","- C46 H72 O4 -","2","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0292","0.029","","","0.077","0.0774","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124411","10.28986","0.00016","23.9607","0.0005","29.1587","0.0005","90","","90","","90","","7189.1","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N3 O -","- C28 H35 N3 O -","- C336 H420 N36 O12 -","12","3","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0529","0.0433","","","0.1113","0.1169","","","","","","1.034","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124412","7.5739","0.0003","10.7023","0.0003","14.555","0.0004","84.447","0.003","87.768","0.003","89.571","0.003","1173.37","0.07","180","2","180","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H42 O2 -","- C26 H42 O2 -","- C52 H84 O4 -","2","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0476","0.0442","","","0.1219","0.1266","","","","","","1.05","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124413","10.0918","0.00016","11.48593","0.00015","25.4903","0.0004","90","","90","","90","","2954.68","0.08","180.05","0.1","180.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C140 H164 N4 O24 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.5418","CuKα","","0.0322","0.0303","","","0.0796","0.0816","","","","","","1.04","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124414","5.8667","0.0011","38.923","0.006","38.924","0.006","119.655","0.01","92.878","0.009","92.933","0.009","7685","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15.5 H13 O2.17 -","- C15.5 H13 O2.16667 -","- C372 H312 O52 -","24","12","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.1739","0.0797","","","0.167","0.2075","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124415","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124416","5.8239","0.0004","9.0597","0.0006","13.9214","0.0008","84.6047","0.0018","84.7115","0.0018","79.8913","0.0019","717.78","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.71073","MoKα","","0.055","0.0449","","","0.1207","0.1285","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124417","11.5211","0.0008","18.3093","0.0013","23.3063","0.0016","90","","92.1689","0.0012","90","","4912.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 B Fe N8 -","- C56 H74 B Fe N8 -","- C224 H296 B4 Fe4 N32 -","4","1","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0605","0.0403","","","0.1038","0.1138","","","","","","1.021","","","","has coordinates,has disorder","154290","2020-10-21","18:00:00",""
"4124418","19.743","0.0007","13.7058","0.0005","22.0232","0.0008","90","","97.4449","0.0006","90","","5909.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 B2 Fe2 N14 -","- C66 H62 B2 Fe2 N14 -","- C264 H248 B8 Fe8 N56 -","4","0.5","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0424","0.0332","","","0.0821","0.0873","","","","","","1.027","","","","has coordinates","154290","2020-10-21","18:00:00",""
"4124456","19.0634","0.001","19.5919","0.001","26.7981","0.0014","93.424","0.002","90.859","0.002","104.756","0.002","9656.7","0.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C175 H198 Ag25 Cl2 P S18 -","- C175 H198 Ag25 Cl2 P S18 -","- C350 H396 Ag50 Cl4 P2 S36 -","2","1","","Joshi, Chakra P.; Bootharaju, Megalamane S.; Alhilaly, Mohammad J.; Bakr, Osman M.","[Ag25(SR)18](-): The ""Golden"" Silver Nanoparticle.","Journal of the American Chemical Society","2015","137","36","11578","11581","10.1021/jacs.5b07088","","","0.71073","MoKα","","0.1536","0.0622","","","0.1148","0.1506","","","","","","1.029","","","","has coordinates","160535","2020-10-21","18:00:00",""
"4124457","15.7065","0.0004","5.75911","0.00017","26.4848","0.0006","90","","104.419","0.002","90","","2320.23","0.11","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F9 O2 -","- C24 H21 F9 O2 -","- C96 H84 F36 O8 -","4","1","","Li, Zhaodong; García-Domínguez, Andrés; Nevado, Cristina","Pd-Catalyzed Stereoselective Carboperfluoroalkylation of Alkynes.","Journal of the American Chemical Society","2015","137","36","11610","11613","10.1021/jacs.5b07432","","","1.54184","CuKα","","0.0512","0.043","","","0.113","0.1213","","","","","","1.042","","","","has coordinates","160536","2020-10-21","18:00:00",""
"4124458","14.915","0.0004","18.5815","0.0005","27.645","0.0005","96.535","0.0005","91.7439","0.0008","102.01","0.0006","7433.7","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H65 B F24 Ge N2 O3 W -","- C72 H65 B F24 Ge N2 O3 W -","- C288 H260 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.0998","0.0728","","","0.1612","0.1756","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124459","16.2451","0.0005","22.0047","0.0009","25.4722","0.001","64.8116","0.001","77.7275","0.0007","76.6013","0.0007","7948","0.5","140","2","140","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H75 B F24 Ge N2 O3 Si W -","- C76 H75 B F24 Ge N2 O3 Si W -","- C304 H300 B4 F96 Ge4 N8 O12 Si4 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.1049","0.0732","","","0.1629","0.1798","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124460","15.3276","0.0012","11.0066","0.001","24.485","0.002","90","","102.697","0.009","90","","4029.7","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cl4 I4 N9 -","- C30 H31 Cl4 I4 N9 -","- C120 H124 Cl16 I16 N36 -","4","0.5","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0331","0.0268","","","0.066","0.0683","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124461","12.053","0.0016","13.0094","0.0015","13.3989","0.0016","84.363","0.014","84.563","0.015","66.768","0.014","1917.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 F9 I2 N6 O6 S2 -","- C29 H23 F9.003 I2 N6 O6 S2 -","- C58 H46 F18.006 I4 N12 O12 S4 -","2","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0713","0.0562","","","0.1459","0.1556","","","","","","0.924","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124462","13.9182","0.0015","12.7231","0.001","20.513","0.002","90","","93.713","0.014","90","","3624.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 F9 I2 N5 O6 S2 -","- C27 H20 F9 I2 N5 O6 S2 -","- C108 H80 F36 I8 N20 O24 S8 -","4","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0642","0.0362","","","0.0814","0.088","","","","","","0.858","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124476","8.927","0.0014","17.389","0.002","28.757","0.004","90","","90","","90","","4464","1.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 -","- C63 H48 -","- C252 H192 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.1532","0.1265","","","0.2675","0.2849","","","","","","1.04","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124477","18.3098","0.0003","26.5227","0.0004","12.8182","0.0002","90","","109.301","0.002","90","","5874.98","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Cl24 Pt4 -","- C100 H100 Cl24 Pt4 -","- C200 H200 Cl48 Pt8 -","2","0.5","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","0.71073","MoKα","","0.042","0.0367","","","0.0824","0.0846","","","","","","1.089","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124478","14.73721","0.00018","33.785","0.0003","9.62683","0.0001","90","","106.588","0.0012","90","","4593.69","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Cl2 -","- C57 H42 Cl2 -","- C228 H168 Cl8 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.0676","0.0627","","","0.1574","0.1606","","","","","","1.137","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124527","16.8815","0.0005","16.8815","0.0005","16.8815","0.0005","90","","90","","90","","4811","0.2","110","","110","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C14 H24 N6 O2 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0244","0.0219","","","0.0515","0.0529","","","","","","1.094","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124528","16.9077","0.0007","16.9077","0.0007","16.9077","0.0007","90","","90","","90","","4833.4","0.3","110","2","110","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C4 H4 Co N O2 -","- C2.66667 H3.33333 Co0.333333 N1.33333 -","- C96 H120 Co12 N48 -","36","0.75","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0387","0.0259","","","0.0552","0.0599","","","","","","1.015","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124529","10.142","0.002","10.2709","0.0018","10.7349","0.0019","65.643","0.01","77.088","0.01","80.17","0.012","989","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 N3 O6 Zn -","- C18 H11 N3 O6 Zn -","- C36 H22 N6 O12 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.166","0.0988","","","0.2699","0.3141","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124530","10.0741","0.0018","10.325","0.0019","10.5271","0.0017","66.229","0.009","75.083","0.011","76.771","0.011","958.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O5 Zn -","- C19 H14 N2 O5 Zn -","- C38 H28 N4 O10 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.1366","0.0823","","","0.2536","0.2828","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124539","9.868","0.004","10.525","0.004","11.993","0.005","80.076","0.007","74.657","0.007","76.182","0.007","1158.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","1","0.5","","Beckwith, Martha A.; Ames, William; Vila, Fernando D.; Krewald, Vera; Pantazis, Dimitrios A.; Mantel, Claire; Pécaut, Jacques; Gennari, Marcello; Duboc, Carole; Collomb, Marie-Noëlle; Yano, Junko; Rehr, John J.; Neese, Frank; DeBeer, Serena","How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2015","137","40","12815","12834","10.1021/jacs.5b00783","","","0.71073","MoKα","","0.1035","0.0727","","","0.185","0.1986","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124543","12.5099","0.0002","23.857","0.0004","24.368","0.0017","92.443","0.007","98.669","0.007","100.918","0.007","7040.4","0.6","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H79 K N5 O8 P2 Ru -","- C81 H79 K N5 O8 P2 Ru -","- C324 H316 K4 N20 O32 P8 Ru4 -","4","2","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0669","0.0584","","","0.1744","0.1818","","","","","","1.181","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124544","35.8458","0.0007","35.8458","0.0007","23.382","0.0016","90","","90","","120","","26018.9","1.9","85","","85","","","","","","","","","7","R -3","-R 3","148","","","","- C56 H42 F3 N5 O4 P2 Ru -","- C56 H42 F3 N5 O4 P2 Ru -","- C1008 H756 F54 N90 O72 P36 Ru18 -","18","","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0493","0.048","","","0.1712","0.1754","","","","","","0.84","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124545","11.5513","0.0002","26.1563","0.0005","19.7946","0.0014","90","","103.361","0.007","90","","5818.8","0.5","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0714","0.0679","","","0.1871","0.1903","","","","","","1.043","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124546","10.8909","0.0002","20.756","0.0004","19.7148","0.0014","90","","104.748","0.007","90","","4309.7","0.4","85","","85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 N5 O2 P2 Ru -","- C54 H41 N5 O2 P2 Ru -","- C216 H164 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0312","0.031","","","0.1213","0.1218","","","","","","1.156","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124547","19.7147","0.0014","20.8591","0.0004","19.8865","0.0014","90","","147.951","0.01","90","","4339.6","1.3","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 N5 O2 P2 Ru -","- C54 H43 N5 O2 P2 Ru -","- C216 H172 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0331","0.0326","","","0.0808","0.0812","","","","","","1.028","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124548","11.5276","0.0002","15.2452","0.0002","31.182","0.002","90","","99.389","0.007","90","","5406.5","0.4","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.45 H68.9 B2 N5 O6 P Ru -","- C57.45 H68.9 B2 N5 O6 P Ru -","- C229.8 H275.6 B8 N20 O24 P4 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0407","0.0394","","","0.0991","0.0999","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124549","6.9811","0.0008","16.0997","0.0015","17.343","0.0016","105.313","0.003","93.975","0.004","102.06","0.004","1822.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H46 N10 O36 -","- C74 H54 N10 O36 -","- C74 H54 N10 O36 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.094","0.0701","","","0.1588","0.1823","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124550","7.1764","0.0014","13.154","0.003","15.913","0.003","85.06","0.03","88.03","0.03","76.7","0.03","1456.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 2 benzene-1,3,5-tricarboxylate di-anion_ 12 H2O","","","- C56 H66 N10 O24 -","- C56 H42 N10 O24 -","- C56 H42 N10 O24 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1787","0.0975","","","0.2438","0.3296","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124551","23.968","0.005","13.347","0.003","19.742","0.004","90","","96.91","0.03","90","","6270","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _(2 benzene-1,3,5-tricarboxylate tri-anion_2Ag+_2H2O)_(2 benzene-1,3,5-tricarboxylate di-anion_Ag+)_31 H2O","","","- C112 H148 Ag3 N20 O57 -","- C112 H82 Ag3 N20 O57 -","- C224 H164 Ag6 N40 O114 -","2","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1039","0.0948","","","0.2001","0.2079","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124552","14.082","0.003","15.521","0.003","16.805","0.003","67.27","0.03","71.23","0.03","78.83","0.03","3197.4","1.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _benzene-1,3,5-tricarboxylate tri-anion_OH-_17 H2O_2 DMF","","","- C53 H86 N12 O26 -","- C50 H44 N11 O9 -","- C100 H88 N22 O18 -","2","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1222","0.0905","","","0.205","0.2188","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124553","34.816","0.005","16.277","0.005","31.024","0.005","90","0.005","98.217","0.005","90","0.005","17401","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H210 Cd4 N20 O51 -","- C112 H80 Cd4 N20 O32 -","- C448 H320 Cd16 N80 O128 -","4","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71069","MoKα","","0.2553","0.142","","","0.348","0.3921","","","","","","0.849","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124554","41.9657","0.0018","22.9066","0.0009","10.0764","0.0004","90","","102.568","0.002","90","","9454.3","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","ain6815","","","- C29 H33 Cl2 Co4 F6 N4 O13.5 P -","- C29 H32 Cl2 Co4 F2.013 N4 O13.5 P0.3355 -","- C232 H256 Cl16 Co32 F16.104 N32 O108 P2.684 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.097","0.0739","","","0.1445","0.156","","","","","","1.094","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124555","19.345","0.005","16.662","0.005","24.699","0.005","90","0.005","90","0.005","90","0.005","7961","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C232 H272 Cl16 Co32 F48 N32 O96 P8 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0844","0.0569","","","0.1474","0.1686","","","","","","1.028","","","","has coordinates","170079","2020-10-21","18:00:00",""
"4124556","10.1252","0.0004","12.417","0.0005","20.7108","0.0008","95.165","0.002","94.724","0.002","105.613","0.002","2482.13","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C86 H104 Co8 N16 O30 S2 -","4","2","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0402","0.0322","","","0.0808","0.0858","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124557","9.1603","0.0018","13.911","0.003","16","0.003","78.661","0.003","85.431","0.003","78.731","0.003","1958.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl3 Co N4 O3 -","- C47.506 H29.418 Cl3.001 Co N4 O1.5 -","- C95.012 H58.836 Cl6.002 Co2 N8 O3 -","2","1","","Lu, Jie; Dimroth, Jonas; Weck, Marcus","Compartmentalization of Incompatible Catalytic Transformations for Tandem Catalysis.","Journal of the American Chemical Society","2015","137","40","12984","12989","10.1021/jacs.5b07257","","","0.71073","MoKα","","0.1334","0.0926","","","0.257","0.2935","","","","","","1.047","","","","has coordinates,has disorder","170081","2020-10-21","18:00:00",""
"4124558","15.5616","0.0017","27.648","0.003","18.575","0.002","90","","101.299","0.002","90","","7836.9","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H57 B N O3 P2 Rh -","- C40 H57 B N O3 P2 Rh -","- C320 H456 B8 N8 O24 P16 Rh8 -","8","2","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.1424","0.0653","","","0.1013","0.126","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124559","15.142","0.003","7.5379","0.0015","14.685","0.003","90","","90","","90","","1676.1","0.6","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C34 H44 F3 O P2 Rh -","- C34 H44 F3 O P2 Rh -","- C68 H88 F6 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0485","0.0412","","","0.1012","0.1047","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124560","30.455","0.002","14.138","0.0011","21.072","0.0016","90","","90.724","0.001","90","","9072.3","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H62 B F3 N O3 P2 Rh -","- C43.5 H62 B F3 N O3 P2 Rh -","- C348 H496 B8 F24 N8 O24 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.119","0.079","","","0.1453","0.1582","","","","","","1.139","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124561","19.018","0.0017","9.5701","0.0009","19.2725","0.0018","90","","92.9","0.001","90","","3503.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 B Cl O3 P2 Rh -","- C33 H53 B Cl O3 P2 Rh -","- C132 H212 B4 Cl4 O12 P8 Rh4 -","4","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0705","0.0403","","","0.0778","0.0851","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124562","29.2095","0.0007","29.2095","0.0007","29.2095","0.0007","90","","90","","90","","24921.4","1","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C12 H6 N3 O7 Tb -","- C12 H6 N3 O7 Tb -","- C576 H288 N144 O336 Tb48 -","48","1","","Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.","A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.","Journal of the American Chemical Society","2015","137","38","12203","12206","10.1021/jacs.5b06929","","","0.71073","MoKα","","0.1397","0.0737","","","0.1765","0.1987","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124563","46.098","0.008","46.098","0.008","46.098","0.008","90","","90","","90","","97959","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H100 O32 Zr6 -","- C180 O32 Zr6 -","- C720 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Thacker, Nathan C.; Lin, Zekai; McIsaac, Alexandra R.; Lin, Wenbin","Robust, Chiral, and Porous BINAP-Based Metal-Organic Frameworks for Highly Enantioselective Cyclization Reactions.","Journal of the American Chemical Society","2015","137","38","12241","12248","10.1021/jacs.5b09225","","","0.41328","","","0.1614","0.1359","","","0.3705","0.3786","","","","","","2.227","","","","has coordinates","159584","2020-10-21","18:00:00",""
"4124564","19.1282","0.0004","19.9934","0.0004","40.5716","0.0007","90","","90","","90","","15516.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C78.45 H79.8 O30.45 -","- C78.45 H54 O30.45 -","- C627.6 H432 O243.6 -","8","2","","Chen, Shigui; Yamasaki, Makoto; Polen, Shane; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion.","Journal of the American Chemical Society","2015","137","38","12276","12281","10.1021/jacs.5b06041","","x-ray","0.71073","MoKα","","0.207","0.1296","","","0.3167","0.3682","","","","","","1.242","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124565","5.9216","0.0003","20.07","0.001","18.4872","0.0009","90","","96.45","0.003","90","","2183.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","M4","toste135","","- C23 H23 F N2 O5 S -","- C23 H23 F N2 O5 S -","- C92 H92 F4 N8 O20 S4 -","4","2","","He, Ying; Yang, Zhenyu; Thornbury, Richard T.; Toste, F. Dean","Palladium-Catalyzed Enantioselective 1,1-Fluoroarylation of Aminoalkenes.","Journal of the American Chemical Society","2015","137","38","12207","12210","10.1021/jacs.5b07795","","","1.54178","CuKα","","0.0798","0.074","","","0.1915","0.1968","","","","","","1.035","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124566","9.2388","0.0004","14.9261","0.0007","7.4031","0.0003","90","","90","","90","","1020.88","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","YS4-053","hartwig85","","- C13 H15 N -","- C13 H15 N -","- C52 H60 N4 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","1.54178","CuKα","","0.0315","0.0309","","","0.0828","0.0833","","","","","","1.04","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124567","14.0558","0.0004","19.5015","0.0005","20.6016","0.0006","90","","94.322","0.002","90","","5631","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","YS-(IPr*OMe)Ni(C6H6)","hartwig83","","- C75 H62 N2 Ni O2 -","- C75 H62 N2 Ni O2 -","- C300 H248 N8 Ni4 O8 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","0.71073","MoKα","","0.1437","0.0563","","","0.112","0.1456","","","","","","1.004","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124568","12.2509","0.0006","14.4835","0.0006","34.4912","0.0016","90","","97.764","0.002","90","","6063.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H88 Li Mo2 N4 O3 -","- C63 H88 Li Mo2 N4 O3 -","- C252 H352 Li4 Mo8 N16 O12 -","4","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0794","0.0538","","","0.1282","0.1439","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124569","10.242","0.0013","10.8683","0.0015","22.381","0.003","79.42","0.004","80.038","0.004","70.732","0.004","2294.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Li Mo2 N4 O -","- C49 H61 Li Mo1.9998 N4 O -","- C98 H122 Li2 Mo3.9996 N8 O2 -","2","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0984","0.0756","","","0.2347","0.2566","","","","","","1.099","","","","has coordinates,has disorder","159589","2020-10-21","18:00:00",""
"4124570","45.402","0.003","12.1781","0.0009","27.374","0.002","90","","114.171","0.001","90","","13808.4","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H111 Li Mo2 N4 O4 -","- C69 H111 Li Mo2 N4 O4 -","- C552 H888 Li8 Mo16 N32 O32 -","8","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.1338","0.0783","","","0.1748","0.2047","","","","","","1.138","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124571","7.9776","0.0004","10.4105","0.0004","9.8963","0.0005","90","","94.742","0.002","90","","819.08","0.07","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H15 B2 N O -","- C4 H15 B2 N O -","- C16 H60 B8 N4 O4 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0903","0.0621","","","0.1617","0.1829","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124572","11.0094","0.0002","12.8704","0.0003","19.9165","0.0004","90","","103.957","0.001","90","","2738.76","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B2 N Na O8 -","- C20 H48 B2 N Na O8 -","- C80 H192 B8 N4 Na4 O32 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0699","0.0456","","","0.1182","0.1321","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124573","8.5207","0.0002","9.3411","0.0002","12.5358","0.0003","100.109","0.0011","108.543","0.0011","104.931","0.0009","877.18","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","[MgFp2(THF)]2","","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0273","0.0241","","0.0261","0.0236","0.0233","","","","","","1.1201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124574","10.8413","0.0002","14.876","0.0005","16.7804","0.0006","65.548","0.003","79.915","0.002","83.476","0.002","2422.91","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","Mg{Co(CO)3(PCy3)}2(THF)","","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0462","0.0393","","0.0288","0.0271","0.0266","","","","","","1.0708","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124575","12.6954","0.0007","14.17","0.0012","15.6381","0.001","66.744","0.007","89.34","0.005","89.105","0.005","2584.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ca{Co(CO)3(PCy3)}2(THF)2]2","","- C50 H80 Ca Co2 O8 P2 -","- C50 H80 Ca Co2 O8 P2 -","- C100 H160 Ca2 Co4 O16 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1147","0.0804","","0.0802","0.0556","0.0556","","","","","","1.1634","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124576","11.5294","0.0003","15.0404","0.0004","17.5701","0.0004","75.424","0.002","79.921","0.002","76.665","0.002","2846.99","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sr{Co(CO)3(PCy3)}2(THF)3","","- C54 H90 Co2 O9 P2 Sr -","- C54 H90 Co2 O9 P2 Sr -","- C108 H180 Co4 O18 P4 Sr2 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.041","0.0369","","0.0385","0.0364","0.0358","","","","","","1.0352","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124577","11.18582","0.00019","14.3086","0.0003","18.1682","0.0005","83.045","0.002","88.3797","0.0018","79.8875","0.0016","2841.57","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Yb{Co(CO)3(PCy3)}2(THF)3","","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0389","0.0353","","0.0378","0.0371","0.0368","","","","","","1.1167","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124578","11.5469","0.0004","14.982","0.0004","17.6196","0.0006","75.35","0.003","79.766","0.003","76.591","0.003","2845.59","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3(PCy3)}2(THF)3]","","- C54 H90 Co2 Eu O9 P2 -","- C54 H90 Co2 Eu O9 P2 -","- C108 H180 Co4 Eu2 O18 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0494","0.0409","","0.0525","0.0475","0.0463","","","","","","1.0935","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124579","11.1599","0.0003","19.0055","0.0004","36.8181","0.0008","90","","92.677","0.002","90","","7800.6","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sm{Co(CO)3(PCy3)}2(THF)6","","- C72 H126 Co2 O13.5 P2 Sm -","- C72 H126 Co2 O13.5 P2 Sm -","- C288 H504 Co8 O54 P8 Sm4 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0999","0.0951","","0.1078","0.1036","0.1021","","","","","","1.0748","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124580","20.6944","0.0006","11.09","0.0003","36.5676","0.0009","90","","103.123","0.003","90","","8173.1","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Sm{Co(CO)3(PCy3)}3(THF)3","","- C76.5 H127.5 Co3 O12 P3 Sm -","- C76.5 H127.5 Co3 O12 P3 Sm -","- C306 H510 Co12 O48 P12 Sm4 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1657","0.1092","","0.0177","0.0131","0.0129","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124581","13.8884","0.0002","21.8063","0.0003","18.5382","0.0003","90","","95.7951","0.0006","90","","5585.69","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Mg(HMPA)4][CpFe(CO)2]2","","- C38 H82 Fe2 Mg N12 O8 P4 -","- C38 H82 Fe2 Mg N12 O8 P4 -","- C152 H328 Fe8 Mg4 N48 O32 P16 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0953","0.0575","","0.0511","0.0402","0.0383","","","","","","1.0885","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124582","52.9398","0.0005","13.8313","0.0002","23.2571","0.0003","90","","98.2726","0.0005","90","","16852.3","0.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","YbFp2(HMPA)4","","- C38 H82 Fe2 N12 O8 P4 Yb -","- C38 H82 Fe2 N12 O8 P4 Yb -","- C456 H984 Fe24 N144 O96 P48 Yb12 -","12","1.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0737","0.0428","","0.046","0.0325","0.0307","","","","","","1.1275","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124583","12.2485","0.0003","12.8238","0.0003","18.0967","0.0006","85.0129","0.0011","82.8752","0.0013","71.251","0.0013","2667.52","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ca{CpRu(CO)2}(OH)]4","","- C44 H56 Ca4 O16 Ru4 -","- C44 H56 Ca4 O16 Ru4 -","- C88 H112 Ca8 O32 Ru8 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0847","0.0496","","0.0309","0.0224","0.0207","","","","","","1.1017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124584","16.0633","0.0003","16.3836","0.0003","19.0298","0.0004","90","","90","","90","","5008.16","0.17","150","","150","","","","","","","","","6","P 21 c n","P -2n 2a","33","","Ca{Fe2(CO)8}(MeCN)5","","- C18 H15 Ca Fe2 N5 O8 -","- C18 H15 Ca Fe2 N5 O8 -","- C144 H120 Ca8 Fe16 N40 O64 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.064","0.0522","","0.031","0.0273","0.0262","","","","","","1.0878","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124585","8.614","0.0001","19.0207","0.0003","16.7735","0.0002","90","","98.0988","0.0007","90","","2720.83","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ca{Fe3(CO)11}(MeCN)4","","- C19 H12 Ca Fe3 N4 O11 -","- C19 H12 Ca Fe3 N4 O11 -","- C76 H48 Ca4 Fe12 N16 O44 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0407","0.0312","","0.0333","0.0293","0.0286","","","","","","1.1452","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124586","14.2558","0.0003","21.445","0.0003","43.111","0.0007","90","","99.2009","0.0019","90","","13010.1","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ca(HMPA)5(MeCN)][Fe2CO8]","","- C40 H93 Ca Fe2 N16 O13 P5 -","- C40 H93 Ca Fe2 N16 O13 P5 -","- C320 H744 Ca8 Fe16 N128 O104 P40 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1197","0.0934","","0.1084","0.0928","0.0899","","","","","","1.1234","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124587","13.0148","0.0002","13.3323","0.0003","24.1738","0.0005","90","","99.8845","0.001","90","","4132.31","0.14","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ca{Fe(CO)4}(HMPA)3(THF)] x","","- C26 H62 Ca Fe N9 O8 P3 -","- C26 H62 Ca Fe N9 O8 P3 -","- C104 H248 Ca4 Fe4 N36 O32 P12 -","4","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.125","0.0672","","0.0558","0.0312","0.0275","","","","","","1.1048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124588","9.6742","0.0001","16.876","0.0001","17.6975","0.0001","90","","105.594","0.001","90","","2782.97","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ca{Co(CO)3(PPh3)}2(THF)4","","- C58 H58 Ca Co2 O10 P2 -","- C58 H58 Ca Co2 O10 P2 -","- C116 H116 Ca2 Co4 O20 P4 -","2","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0363","0.0341","","0.0404","0.0393","0.0389","","","","","","1.1432","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124589","14.1017","0.0003","14.7448","0.0004","16.2679","0.0003","102.382","0.0017","98.1349","0.0017","99.476","0.002","3203.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Sr{Co(CO)3(PPh3)}2(THF)5]2","","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0563","0.0522","","0.0111","0.0109","0.0108","","","","","","1.1229","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124590","13.188","0.0003","13.7599","0.0003","19.81","0.0005","71.863","0.002","71.165","0.002","79.87","0.0018","3221.92","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ba{Co(CO)3(PPh3)}2(THF)6]2","","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0842","0.0771","","0.0837","0.0805","0.0795","","","","","","1.0762","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124591","11.2586","0.0003","18.8474","0.0005","37.378","0.0008","90","","91.97","0.003","90","","7926.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba{Co(CO)3(PCy3)}2(THF)6","","- C74 H130 Ba Co2 O14 P2 -","- C74 H130 Ba Co2 O14 P2 -","- C296 H520 Ba4 Co8 O56 P8 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0651","0.0565","","0.0646","0.0617","0.0608","","","","","","1.0574","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124592","14.0828","0.0003","14.7164","0.0004","16.5988","0.0005","71.729","0.002","84.458","0.002","71.354","0.002","3095.15","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3PCy3)}2(THF)4]","","- C58 H98 Co2 Eu O10 P2 -","- C58 H98 Co2 Eu O10 P2 -","- C116 H196 Co4 Eu2 O20 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0463","0.0405","","0.0374","0.0364","0.0362","","","","","","1.112","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124593","9.9127","0.0002","18.3725","0.0003","33.7192","0.0009","90","","95.607","0.002","90","","6111.6","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K{Co(CO)3(PCy3)}(THF)2","","- C29 H49 Co K O5 P -","- C29 H49 Co K O5 P -","- C232 H392 Co8 K8 O40 P8 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1325","0.1084","","0.0904","0.0816","0.0796","","","","","","1.0629","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124594","7.493","0.0012","12.872","0.002","17.207","0.003","90","","90","","90","","1659.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0435","0.0367","","","0.0913","0.0962","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124595","10.928","0.002","7.4634","0.0014","20.727","0.004","90","","101.834","0.003","90","","1654.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H59 N O -","- C38 H59 N O -","- C76 H118 N2 O2 -","2","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0783","0.0663","","","0.1573","0.1692","","","","","","1.13","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124596","8.9891","0.0002","9.6537","0.0002","10.6551","0.0008","72.352","0.005","73.504","0.005","63.788","0.004","778.24","0.07","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H9 Br3 N2 O2 -","- C15 H9 Br3 N2 O2 -","- C30 H18 Br6 N4 O4 -","2","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0401","0.0396","","","0.1047","0.1053","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124597","16.1717","0.0011","9.3641","0.0006","21.5606","0.0015","90","","104.716","0.002","90","","3157.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N6 O6.5 -","- C27 H49 N6 O6.5 -","- C108 H196 N24 O26 -","4","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0982","0.0651","","","0.1665","0.1864","","","","","","1.023","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124598","13.0174","0.0003","13.1393","0.0003","13.8827","0.0003","102.753","0.0011","112.423","0.0011","90.1731","0.0013","2130.77","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 B F10 N2 O2 P -","- C48 H41 B F10 N2 O2 P -","- C96 H82 B2 F20 N4 O4 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0687","0.0527","","0.1443","0.1263","0.1443","","","","","","0.9166","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124599","9.9356","0.0002","11.912","0.0003","15.5031","0.0004","97.3307","0.001","98.885","0.001","96.1369","0.001","1782.93","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B F10 O P -","- C42 H28 B F10 O P -","- C84 H56 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0623","0.0458","","0.1185","0.1017","0.1185","","","","","","0.9561","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124600","18.0706","0.0002","20.3168","0.0003","21.2135","0.0003","90","","90","","90","","7788.26","0.18","150","","150","","","","","","","","","6","P c n b","-P 2b 2ac","60","","","","- C45 H36 B F10 O P -","- C45 H36 B F10 O P -","- C360 H288 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.089","0.0487","","0.1556","0.1138","0.1556","","","","","","0.9853","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124601","10.6337","0.0002","13.4784","0.0003","14.6502","0.0003","106.898","0.0011","104.204","0.001","94.5848","0.0012","1921.59","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H34 B F10 O P -","- C45 H34 B F10 O P -","- C90 H68 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0741","0.0464","","0.1355","0.1066","0.1354","","","","","","0.9702","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124602","9.5213","0.0002","12.7992","0.0003","14.4877","0.0004","64.8068","0.0009","77.2838","0.001","82.2971","0.0012","1556.79","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B F10 O P -","- C33 H26 B F10 O P -","- C66 H52 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0747","0.0467","","0.134","0.1055","0.134","","","","","","0.9539","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124603","19.611","0.0007","18.9841","0.0003","19.3662","0.0007","90","","118.974","0.005","90","","6307.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B F10 O P -","- C33 H28 B F10 O P -","- C264 H224 B8 F80 O8 P8 -","8","2","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","1.5418","CuKα","","0.0791","0.068","","","0.2011","0.2187","","","","","","0.989","","","","has coordinates","159597","2020-10-21","18:00:00",""
"4124604","26.28","0.005","3.8865","0.0008","17.871","0.004","90","","102.99","0.03","90","","1778.6","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H Br2 Cl S2 -","- C6 H Br2 Cl S2 -","- C48 H8 Br16 Cl8 S16 -","8","1","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.0432","0.0341","","","0.0854","0.0889","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124605","6.146","0.0006","10.9394","0.0012","15.1016","0.0016","92.691","0.004","96.952","0.005","106.391","0.005","963.39","0.18","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","2","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0895","0.0508","","","0.106","0.1218","","","","","","1.013","","","","has coordinates","159599","2020-10-21","18:00:00",""
"4124606","10.6952","0.0005","6.1486","0.0004","11.1379","0.0006","90","","101.24","0.005","90","","718.39","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C28 H40 O6 S2 -","2","1","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0541","0.0433","","","0.0868","0.0929","","","","","","1.093","","","","has coordinates","159600","2020-10-21","18:00:00",""
"4124607","21.992","0.001","10.7497","0.0006","16.0302","0.0007","90","","111.838","0.003","90","","3517.7","0.3","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tin Iodide tris(dimethylsulfoxide)","","","- C6 H18 I2 O3 S3 Sn -","- C6 H18 I2 O3 S3 Sn -","- C48 H144 I16 O24 S24 Sn8 -","8","1","","Hao, Feng; Stoumpos, Constantinos C.; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J.; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.","Journal of the American Chemical Society","2015","137","35","11445","11452","10.1021/jacs.5b06658","","","0.71073","MoKα","","0.0423","0.027","","","0.0547","0.0587","","","","","","0.978","","","","has coordinates","159601","2020-10-21","18:00:00",""
"4124608","12.0823","0.0004","5.4689","0.0002","24.7977","0.0009","90","","100.248","0.002","90","","1612.41","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhang, Kui; Cai, Lingchao; Jiang, Xing; Garcia-Garibay, Miguel A; Kwon, Ohyun","Phosphine-Mediated Iterative Arene Homologation Using Allenes.","Journal of the American Chemical Society","2015","137","35","11258","11261","10.1021/jacs.5b07403","","","1.54178","CuKα","","0.0419","0.0351","","","0.1005","0.1028","","","","","","1.1","","","","has coordinates","159602","2020-10-21","18:00:00",""
"4124609","27.818","0.004","15.0843","0.0018","17.152","0.002","90","","120.03","0.004","90","","6231.1","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 B N3 -","- C36 H50 B N3 -","- C288 H400 B8 N24 -","8","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1612","0.0703","","","0.1503","0.1926","","","","","","0.993","","","","has coordinates","159603","2020-10-21","18:00:00",""
"4124610","10.3443","0.0006","29.9302","0.0015","12.7246","0.0007","90","","111.635","0.003","90","","3662.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 B2 Cl2 F5 N3 -","- C37 H52 B2 Cl2 F5 N3 -","- C148 H208 B8 Cl8 F20 N12 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1193","0.0551","","","0.1474","0.2118","","","","","","1.03","","","","has coordinates","159604","2020-10-21","18:00:00",""
"4124611","40.4055","0.0015","13.0469","0.0004","34.7282","0.0014","90","","118.605","0.0017","90","","16073","1","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H55 B Cl2 F3 N3 O3 S -","- C39 H55 B Cl2 F3 N3 O3 S -","- C624 H880 B16 Cl32 F48 N48 O48 S16 -","16","2","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1258","0.059","","","0.1507","0.2023","","","","","","1.06","","","","has coordinates,has disorder","159605","2020-10-21","18:00:00",""
"4124612","10.0389","0.0004","31.4758","0.0013","12.8082","0.0005","90","","111.725","0.0015","90","","3759.7","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H55.5 B Cl2.25 N4.75 -","- C39.55 H55.4 B Cl2.3 N4.7 -","- C158.2 H221.6 B4 Cl9.2 N18.8 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.0842","0.0605","","","0.1447","0.155","","","","","","1.103","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124616","9.5487","0.0001","11.6601","0.0002","14.4501","0.0003","90","","90","","90","","1608.86","0.05","150","","150","","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0428","0.0342","","0.0784","0.069","0.0784","","","","","","1.0452","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124617","7.9846","0.0002","9.7916","0.0002","10.3173","0.0002","94.732","0.0011","106.024","0.0011","91.1402","0.001","771.88","0.03","150","","150","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C42 H32 N4 -","2","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0483","0.0416","","0.1083","0.1003","0.1083","","","","","","0.9157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124618","14.8368","0.0003","9.9648","0.0002","11.2252","0.0002","90","","97.706","0.0009","90","","1644.61","0.06","150","","150","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0366","0.0332","","0.0779","0.0765","0.0779","","","","","","1.0201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124619","9.8715","0.0002","15.2884","0.0003","25.8224","0.0005","90","","94.7782","0.0006","90","","3883.56","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","2","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0697","0.0482","","0.1136","0.0998","0.1136","","","","","","0.9373","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124627","7.7142","0.0002","8.0991","0.0002","10.0494","0.0002","88.2797","0.0013","69.1278","0.0012","62.0249","0.0012","510.91","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","1","0.5","","Ivanova, Maria V.; Mercier, Hélène P A; Schrobilgen, Gary J.","[XeOXeOXe](2+), the Missing Oxide of Xenon(II); Synthesis, Raman Spectrum, and X-ray Crystal Structure of [XeOXeOXe][μ-F(ReO2F3)2]2.","Journal of the American Chemical Society","2015","137","41","13398","13413","10.1021/jacs.5b08765","","","0.71073","MoKα","","0.0355","0.0283","","","0.0574","0.0597","","","","","","1.049","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124628","10.0875","0.0008","18.896","0.0015","8.6137","0.0007","90","","104.163","0.001","90","","1592","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Zhang, Lei; Wang, Yi; Yao, Zhu-Jun; Wang, Shaozhong; Yu, Zhi-Xiang","Kinetic or Dynamic Control on a Bifurcating Potential Energy Surface? An Experimental and DFT Study of Gold-Catalyzed Ring Expansion and Spirocyclization of 2-Propargyl-β-tetrahydrocarbolines.","Journal of the American Chemical Society","2015","137","41","13290","13300","10.1021/jacs.5b05971","","","0.71073","MoKα","","0.0518","0.0395","","","0.0984","0.1074","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124634","12.8064","0.0005","13.949","0.0005","15.8844","0.0006","91.03","0.002","96.339","0.002","116.243","0.002","2522.39","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48.5 Cl4 Fe2 N8 O9.25 -","- C52 H48 Cl4 Fe2 N8 O9.25 -","- C104 H96 Cl8 Fe4 N16 O18.5 -","2","1","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","1.0333","synchrotron","","0.1076","0.0586","","","0.1353","0.1563","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124635","13.556","0.0006","14.0832","0.0005","17.1999","0.0007","85.457","0.003","86.877","0.002","64.143","0.002","2944.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29.56 Cl3 Fe N5 O2.28 -","- C29 H26.75 Cl3 Fe N5 O2.283 -","- C116 H107 Cl12 Fe4 N20 O9.132 -","4","2","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","0.7749","synchrotron","","0.1111","0.0654","","","0.1467","0.167","","","","","","1.033","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124694","7.83456","0.00019","7.83456","0.00019","5.00875","0.00015","90","","90","","90","","307.439","0.014","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.02","1.163","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124695","7.79644","0.00042","7.79644","0.00042","5.0119","0.00031","90","","90","","90","","304.65","0.03","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.42","1.215","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124696","7.73707","0.0009","7.73707","0.0009","5.02948","0.00065","90","","90","","90","","301.08","0.06","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.1","1.419","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124698","7.69191","0.00057","7.69191","0.00057","5.04831","0.00045","90","","90","","90","","298.69","0.04","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.32","1.346","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124699","7.67231","0.00034","7.67231","0.00034","5.05923","0.00027","90","","90","","90","","297.81","0.02","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.71","1.113","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124715","10.7638","0.0003","6.0095","0.0001","23.2033","0.0006","90","","93.308","0.002","90","","1498.41","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O -","- C19 H26 O -","- C76 H104 O4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0397","0.0381","","","0.0946","0.0959","","","","","","1.051","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124716","13.155","0.003","8.548","0.002","23.428","0.006","90","","100.599","0.008","90","","2589.5","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 F3 N O4 S -","- C26 H42 F3 N O4 S -","- C104 H168 F12 N4 O16 S4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","0.71073","MoKα","","0.0474","0.0422","","","0.0996","0.1025","","","","","","1.066","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124717","13.2881","0.0008","5.8915","0.0004","19.8797","0.0012","90","","92.69","0.002","90","","1554.6","0.17","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0677","0.068","","","","","","1.068","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124718","6.2827","0.0006","7.1127","0.0006","12.6469","0.0013","91.304","0.007","91.32","0.007","115.381","0.004","510.13","0.09","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C21 H38 O6 -","- C21 H38 O6 -","- C21 H38 O6 -","1","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0453","0.041","","","0.1042","0.107","","","","","","1.064","","","","has coordinates,has disorder","170074","2020-10-21","18:00:00",""
"4124719","10.8829","0.0005","6.2007","0.0003","12.5765","0.0006","90","","114.548","0.001","90","","771.97","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0842","0.0845","","","","","","1.078","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124720","13.8633","0.0006","6.4503","0.0003","26.1395","0.0012","90","","103.365","0.003","90","","2274.15","0.18","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.05","0.0474","","","0.1193","0.1209","","","","","","1.095","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124721","7.2496","0.0001","10.8528","0.0002","23.5068","0.0004","90","","90","","90","","1849.48","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0814","0.0818","","","","","","1.039","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124722","11.0362","0.0011","5.9699","0.0006","14.2914","0.0015","90","","108.041","0.003","90","","895.3","0.16","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0483","0.041","","","0.1144","0.1217","","","","","","1.063","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124723","10.938","0.005","5.933","0.003","14.23","0.006","90","","108.714","0.006","90","","874.6","0.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0419","0.0397","","","0.107","0.1101","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124724","11.011","0.003","5.9502","0.0016","14.085","0.004","90","","108.736","0.005","90","","873.9","0.4","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0486","0.0335","","","0.0829","0.0882","","","","","","1.035","","","","has coordinates,has disorder","170075","2020-10-21","18:00:00",""
"4124725","11.769","0.004","6.0891","0.0019","12.403","0.004","90","","108.842","0.005","90","","841.2","0.5","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0378","0.0357","","","0.0977","0.1003","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124726","5.5752","0.0004","15.0262","0.001","21.0896","0.0013","90","","90","","90","","1766.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3,10-dichloro-6-cyclohexyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C21 H19 Cl2 N O -","- C21 H19 Cl2 N O -","- C84 H76 Cl8 N4 O4 -","4","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.0206","0.0205","","","0.0533","0.0534","","","","","","1.066","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124727","11.5618","0.0005","5.8","0.0002","13.3062","0.0005","90","","105.725","0.001","90","","858.9","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3,10-dichloro-6-(2-methoxyphenyl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C22 H15 Cl2 N O2 -","- C22 H15 Cl2 N O2 -","- C44 H30 Cl4 N2 O4 -","2","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.023","0.0224","","","0.0561","0.0564","","","","","","1.067","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124728","11.0856","0.0008","10.9931","0.0007","21.701","0.0016","90","","93.53","0.002","90","","2639.6","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0681","0.0555","","","0.1556","0.1691","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124729","10.8677","0.0011","11.0938","0.0012","17.548","0.0017","90","","102.555","0.006","90","","2065.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B10 N O -","- C17 H25 B10 N O -","- C68 H100 B40 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0682","0.05","","","0.1334","0.1471","","","","","","1.031","","","","has coordinates","170076","2020-10-21","18:00:00",""
"4124730","8.7181","0.0007","12.4706","0.0009","15.3735","0.0013","90","","90","","90","","1671.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0418","0.0341","","","0.0789","0.0815","","","","","","1.074","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124731","7.0783","0.0006","14.0477","0.0013","16.4886","0.0013","90","","90","","90","","1639.5","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0581","0.0423","","","0.0908","0.0976","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124732","7.897","0.0003","12.6031","0.0005","16.0496","0.0007","90","","90","","90","","1597.36","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0373","0.0305","","","0.0701","0.0729","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124733","9.949","0.002","11.495","0.002","68.451","0.014","90","","93.205","0.004","90","","7816","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H90 N10 O14 -","- C86 H90 N10 O14 -","- C344 H360 N40 O56 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.276","0.1233","","","0.3259","0.4261","","","","","","1.065","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124734","9.914","0.005","11.77","0.005","73.29","0.03","90","","92.402","0.011","90","","8545","7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C89 H89 N11 O13 -","- C89 H89 N11 O13 -","- C356 H356 N44 O52 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.4138","0.2461","","","0.5209","0.5897","","","","","","1.218","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124735","8.7297","0.0003","17.7981","0.0005","11.6078","0.0004","90","","99.195","0.004","90","","1780.35","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl4 F6 O2 P Ru -","- C37 H33 Cl4 F6 O2 P Ru -","- C74 H66 Cl8 F12 O4 P2 Ru2 -","2","1","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","1.54178","CuKα","","0.0424","0.0414","","","0.1137","0.1145","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124736","12.3765","0.001","7.7653","0.0005","15.2165","0.0013","90","","98.432","0.007","90","","1446.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","2","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","0.71073","MoKα","","0.0661","0.0527","","","0.1186","0.1275","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124737","11.2652","0.0016","11.3454","0.0016","15.177","0.002","87.375","0.002","75.015","0.002","63.975","0.002","1678.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N2 O3 -","- C40 H42 N2 O3 -","- C80 H84 N4 O6 -","2","1","","Qin, Guiping; Li, Lixin; Li, Jiawen; Huang, Hanmin","Palladium-Catalyzed Formal Insertion of Carbenoids into Aminals via C-N Bond Activation.","Journal of the American Chemical Society","2015","137","39","12490","12493","10.1021/jacs.5b08476","","","0.71073","MoKα","","0.0606","0.0462","","","0.1307","0.144","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124738","16.7904","0.0004","28.5177","0.0007","74.7861","0.0017","90","","90","","90","","35809.3","1.5","100","0.2","100","0.2","","","","","","","","6","F d d d","-F 2uv 2vw","70","('delta'4)-(P4)-5","","","- C78 H64 Ag2 F12 N8 P2 -","- C0 H0 Ag0 F12 N0 P2 -","- C0 H0 Ag0 F192 N0 P32 -","16","","","Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François","Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.","Journal of the American Chemical Society","2015","137","39","12502","12505","10.1021/jacs.5b08649","","x-ray","1.54178","CuKα","","0.1385","0.1032","","","0.3156","0.3451","","","","","","1.378","","","","has coordinates,has disorder","170010","2020-10-21","18:00:00",""
"4124739","15.0291","0.001","7.731","0.0005","12.7431","0.0009","90","","90","","90","","1480.62","0.17","90","2","90","2","","","","","","","","2","P m n 21","P 2ac -2","31","","","","- Sb7 Zn8 -","- Sb7 Zn8 -","- Sb28 Zn32 -","4","1","","Wang, Jian; Kovnir, Kirill","Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric.","Journal of the American Chemical Society","2015","137","39","12474","12477","10.1021/jacs.5b08214","","","0.71073","MoKα","","0.0476","0.0461","","","0.1172","0.1177","","","","","","1.34","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124740","11.275","0.002","14.152","0.003","14.267","0.003","70.822","0.002","80.649","0.002","82.759","0.002","2115.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","NiGaL","","","- C39 H60 Ga N4 Ni P3 -","- C39 H60 Ga N4 Ni P3 -","- C78 H120 Ga2 N8 Ni2 P6 -","2","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0778","0.0566","","","0.1653","0.1747","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124741","10.879","0.002","10.879","0.002","21.208","0.004","90","","90","","120","","2173.7","0.7","123","2","123","2","","","","","","","","6","P -3","-P 3","147","NiInL","","","- C39 H60 In N4 Ni P3 -","- C39 H60 In N4 Ni P3 -","- C78 H120 In2 N8 Ni2 P6 -","2","0.333333","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0774","0.0489","","","0.1045","0.1131","","","","","","0.977","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124742","12.2182","0.0004","14.558","0.0005","22.5759","0.0008","90","","90","","90","","4015.6","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0192","0.0183","","","0.045","0.0454","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124743","14.8145","0.0003","14.4294","0.0003","22.8207","0.0004","90","","95.67","0.001","90","","4854.38","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N2NiInL","","","- C46 H68 In N6 Ni P3 -","- C46 H68 In N6 Ni P3 -","- C184 H272 In4 N24 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0605","0.0547","","","0.1466","0.1518","","","","","","1.027","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124744","11.2547","0.0003","15.0048","0.0004","15.2915","0.0004","90","","105.226","0.002","90","","2491.7","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl2 N3 -","- C26 H33 Cl2 N3 -","- C104 H132 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","1.54178","CuKα","","0.0751","0.0492","","","0.1244","0.1407","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124745","13.8106","0.0002","9.723","0.0002","23.6765","0.0004","90","","99.931","0.001","90","","3131.65","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 N3 -","- C37 H33 N3 -","- C148 H132 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.3477","0.0997","","","0.2677","0.3917","","","","","","0.96","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124746","8.15","0.0016","34.91","0.007","14.88","0.003","90","","104.1","0.03","90","","4106.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl0.33 N3 -","- C19.7778 H24 Cl1.33333 N1.33333 -","- C178 H216 Cl12 N12 -","9","2.25","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.4637","0.1356","","","0.3022","0.4347","","","","","","0.819","","","","has coordinates,has disorder","170015","2020-10-21","18:00:00",""
"4124747","8.4759","0.0019","15.629","0.004","20.955","0.005","90","","97.777","0.004","90","","2750.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl2 N3 -","- C28 H36 Cl2 N3 -","- C112 H144 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.1573","0.109","","","0.2798","0.3094","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124748","12.2741","0.0005","20.2397","0.0008","26.233","0.001","88.986","0.002","88.42","0.002","78.267","0.002","6377.8","0.4","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C128.07 H90.04 B2 Br2 F48 Fe2 N10 O2 -","- C128 H90 B2 Br2 F48 Fe2 N10 O2 -","- C256 H180 B4 Br4 F96 Fe4 N20 O4 -","2","1","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.1076","0.0901","","","0.2418","0.2594","","","","","","1.023","","","","has coordinates,has disorder","170017","2020-10-21","18:00:00",""
"4124749","16.461","0.006","23.978","0.009","46.22","0.02","74.978","0.012","89.07","0.015","71.113","0.009","16625","11","99.99","","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C644 H416 B12 Br8 Cl8 F288 Fe8 N40 O8 -","4","2","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.2146","0.1286","","","0.2952","0.3524","","","","","","1.042","","","","has coordinates,has disorder","170018","2020-10-21","18:00:00",""
"4124750","27.7832","0.0014","27.7832","0.0014","13.6222","0.0008","90","","90","","120","","9106.3","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.64 H41.3 N1.5 Ni2 O14.91 -","- C38.62 H41.24 N1.5 Ni2 O14.9133 -","- C231.72 H247.44 N9 Ni12 O89.48 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.2043","0.1037","","","0.2265","0.2638","","","","","","1.004","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124751","27.593","0.003","27.593","0.003","13.6745","0.0017","90","","90","","120","","9016.5","1.8","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 N Ni2 O13 -","- C33 H31 N Ni2 O13 -","- C198 H186 N6 Ni12 O78 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1477","0.0729","","","0.144","0.1548","","","","","","0.953","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124752","24.274","0.004","25.634","0.004","11.0898","0.0015","90","","114.924","0.01","90","","6257.9","1.7","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H35 N Ni3 O16 -","- C35 H35 N Ni3 O16 -","- C140 H140 N4 Ni12 O64 -","4","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1481","0.0782","","","0.1577","0.177","","","","","","1.011","","","","has coordinates","173579","2020-10-21","18:00:00",""
"4124753","8.963","0.002","11.51","0.003","14.197","0.003","90","","106.158","0.008","90","","1406.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O7 -","- C15 H13 Cl O7 -","- C60 H52 Cl4 O28 -","4","1","","Qin, Tian; Iwata, Takayuki; Ransom, Tanya T.; Beutler, John A.; Porco, Jr, John A","Syntheses of Dimeric Tetrahydroxanthones with Varied Linkages: Investigation of ""Shapeshifting"" Properties.","Journal of the American Chemical Society","2015","137","48","15225","15233","10.1021/jacs.5b09825","","","1.54178","CuKα","","0.0319","0.0307","","","0.0852","0.0895","","","","","","1.085","","","","has coordinates","173578","2020-10-21","18:00:00",""
"4124754","17.8048","0.0005","17.8048","0.0005","17.8048","0.0005","90","","90","","90","","5644.3","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Fe-CAT-420","","","- C52 H60 Fe4 N6 O20.33 S1.73 -","- C52 H60 Fe4 N6 O20.334 S1.734 -","- C208 H240 Fe16 N24 O81.336 S6.936 -","4","0.166667","","Nguyen, Nhung T. T.; Furukawa, Hiroyasu; Gándara, Felipe; Trickett, Christopher A.; Jeong, Hyung Mo; Cordova, Kyle E.; Yaghi, Omar M.","Three-Dimensional Metal-Catecholate Frameworks and Their Ultrahigh Proton Conductivity.","Journal of the American Chemical Society","2015","137","49","15394","15397","10.1021/jacs.5b10999","","","0.7749","synchrotron","","0.0808","0.0662","","","0.18","0.1929","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124755","6.4071","0.0001","14.3158","0.0002","15.2126","0.0002","90","","90","","90","","1395.34","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yang, Ze-Peng; Wu, Qing-Feng; Shao, Wen; You, Shu-Li","Iridium-Catalyzed Intramolecular Asymmetric Allylic Dearomatization Reaction of Pyridines, Pyrazines, Quinolines, and Isoquinolines.","Journal of the American Chemical Society","2015","137","50","15899","15906","10.1021/jacs.5b10440","","","1.54178","CuKα","","0.0311","0.031","","","0.0825","0.0826","","","","","","1.068","","","","has coordinates","173581","2020-10-21","18:00:00",""
"4124801","12.6563","0.0004","12.6563","0.0004","12.6563","0.0004","90","","90","","90","","2027.31","0.11","121.65","0.1","121.65","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H7.02 Gd3 O9.99 -","- C8 H56.16 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0394","0.0387","","","0.0868","0.0872","","","","","","1.274","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124802","12.59","0.0003","12.59","0.0003","12.59","0.0003","90","","90","","90","","1995.62","0.08","121.1","0.2","121.1","0.2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H7.02 O9.99 Tb3 -","- C8 H56.16 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0358","0.032","","","0.0883","0.0924","","","","","","1.167","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124803","12.5189","0.0003","12.5189","0.0003","12.5189","0.0003","90","","90","","90","","1962","0.08","121.3","0.14","121.3","0.14","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0382","0.0328","","","0.0862","0.0923","","","","","","1.101","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124804","12.6606","0.0004","12.6606","0.0004","12.6606","0.0004","90","","90","","90","","2029.38","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.99 Gd3 O9.99 -","- C8 H55.92 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0436","0.0418","","","0.0937","0.0948","","","","","","1.203","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124805","12.669","0.0007","12.669","0.0007","12.669","0.0007","90","","90","","90","","2033.42","0.19","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0726","0.0695","","","0.1562","0.1576","","","","","","1.272","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124806","12.6589","0.0004","12.6589","0.0004","12.6589","0.0004","90","","90","","90","","2028.56","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0441","0.0435","","","0.0965","0.0969","","","","","","1.217","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124807","12.6541","0.0005","12.6541","0.0005","12.6541","0.0005","90","","90","","90","","2026.25","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0806","0.0773","","","0.1445","0.1467","","","","","","1.013","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124808","12.6596","0.0004","12.6596","0.0004","12.6596","0.0004","90","","90","","90","","2028.9","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0487","0.0473","","","0.1037","0.1042","","","","","","1.208","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124809","12.6597","0.0005","12.6597","0.0005","12.6597","0.0005","90","","90","","90","","2028.94","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0456","0.0442","","","0.1039","0.1044","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124810","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.044","0.0368","","","0.0953","0.0997","","","","","","1.086","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124811","12.494","0.0002","12.494","0.0002","12.494","0.0002","90","","90","","90","","1950.31","0.05","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0401","0.0351","","","0.0916","0.0944","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124812","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0453","0.0379","","","0.0969","0.1018","","","","","","1.069","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124813","12.5137","0.0003","12.5137","0.0003","12.5137","0.0003","90","","90","","90","","1959.55","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.041","0.0371","","","0.0983","0.1014","","","","","","1.145","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124814","12.4988","0.0004","12.4988","0.0004","12.4988","0.0004","90","","90","","90","","1952.56","0.11","121.75","0.1","121.75","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0404","0.0339","","","0.0877","0.0921","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124815","12.5234","0.0003","12.5234","0.0003","12.5234","0.0003","90","","90","","90","","1964.11","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0458","0.0392","","","0.098","0.1039","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124816","23.2201","0.0006","16.7229","0.0004","7.527","0.0002","90","","90.177","0.002","90","","2922.78","0.13","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mss040","","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Hickey, David P.; Schiedler, David A.; Matanovic, Ivana; Doan, Phuong Vy; Atanassov, Plamen; Minteer, Shelley D.; Sigman, Matthew S.","Predicting Electrocatalytic Properties: Modeling Structure-Activity Relationships of Nitroxyl Radicals.","Journal of the American Chemical Society","2015","137","51","16179","16186","10.1021/jacs.5b11252","","","0.71073","MoKα","","0.0578","0.0467","","","0.1234","0.1329","","","","","","1.065","","","","has coordinates,has disorder","173450","2020-10-21","18:00:00",""
"4124817","12.6725","0.0008","14.3011","0.0008","14.2357","0.0009","90","","112.077","0.003","90","","2390.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 N O3 S -","- C26 H23 Cl2 N O3 S -","- C104 H92 Cl8 N4 O12 S4 -","4","1","","Santhoshkumar, Rajagopal; Mannathan, Subramaniyan; Cheng, Chien-Hong","Ligand-Controlled Divergent C-H Functionalization of Aldehydes with Enynes by Cobalt Catalysts.","Journal of the American Chemical Society","2015","137","51","16116","16120","10.1021/jacs.5b10447","","","0.71073","MoKα","","0.0593","0.0402","","","0.1176","0.135","","","","","","1.061","","","","has coordinates","173451","2020-10-21","18:00:00",""
"4124818","10.7808","0.0003","10.7808","0.0003","16.1975","0.0005","90","","90","","90","","1882.56","0.09","200","2","200","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H18 Co F6 N0 P -","- C20 H18 Co F6 P -","- C80 H72 Co4 F24 P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0194","0.0186","","","0.0454","0.0456","","","","","","1.033","","","","has coordinates","173452","2020-10-21","18:00:00",""
"4124819","32.1741","0.0019","7.6991","0.0005","20.422","0.0013","90","","110.029","0.002","90","","4752.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H22 Co F8 P -","- C24.5 H22 Co F8 P -","- C196 H176 Co8 F64 P8 -","8","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1029","0.0625","","","0.1382","0.1547","","","","","","1.018","","","","has coordinates,has disorder","173453","2020-10-21","18:00:00",""
"4124820","8.9559","0.001","14.4617","0.0017","17.157","0.002","108.817","0.002","92.449","0.002","103.213","0.002","2031.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H22 Co F4 P -","- C22.5 H22 Co F4 P -","- C90 H88 Co4 F16 P4 -","4","2","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1091","0.0548","","","0.1067","0.1257","","","","","","1.022","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124821","9.5767","0.0002","10.2062","0.0002","11.8202","0.0003","85.8132","0.0011","87.6375","0.0011","69.3572","0.001","1078.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Co F6 P -","- C25 H20 Co F6 P -","- C50 H40 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0279","0.0247","","","0.0651","0.0671","","","","","","1.041","","","","has coordinates","173455","2020-10-21","18:00:00",""
"4124822","9.4327","0.0002","18.024","0.0004","14.5156","0.0003","90","","90.5681","0.0013","90","","2467.75","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H20.75 Co F4 N0.25 P -","- C24.5 H20.75 Co F4 N0.25 P -","- C98 H83 Co4 F16 N P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0829","0.0684","","","0.1741","0.184","","","","","","1.067","","","","has coordinates,has disorder","173456","2020-10-21","18:00:00",""
"4124823","9.0221","0.0006","10.5657","0.0006","13.7403","0.0009","74.82","0.003","77.45","0.003","79.209","0.003","1222.02","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co F6 P -","- C27 H26 Co F6 P -","- C54 H52 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0351","0.032","","","0.088","0.0908","","","","","","1.044","","","","has coordinates","173457","2020-10-21","18:00:00",""
"4124824","10.259","0.002","22.885","0.005","6.9775","0.0014","90","","90","","90","","1638.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.1488","0.1174","","","0.2653","0.2818","","","","","","1.225","","","","has coordinates","173458","2020-10-21","18:00:00",""
"4124825","10.862","0.002","8.9413","0.0018","44.757","0.009","90","","96.87","0.03","90","","4315.6","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N3 O2 -","- C25 H20 Br N3 O2 -","- C200 H160 Br8 N24 O16 -","8","4","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.0993","0.0919","","","0.2181","0.2303","","","","","","1.157","","","","has coordinates","173459","2020-10-21","18:00:00",""
"4124826","44.091","0.002","25.406","0.0014","17.1248","0.0009","90","","91.176","0.004","90","","19178.7","1.7","260","2","260","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C111 H72 N6 O12 Zn3 -","- C111 H72 N6 O12 Zn3 -","- C444 H288 N24 O48 Zn12 -","4","1","","Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing","Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","51","16209","16215","10.1021/jacs.5b10308","","","0.7749","synchrotron","","0.0688","0.0598","","","0.1463","0.1507","","","","","","0.983","","","","has coordinates,has disorder","173460","2020-10-21","18:00:00",""
"4124827","13.4961","0.0007","13.5842","0.0007","15.511","0.0012","109.1","0.001","91.269","0.002","117.72","0.001","2326.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Si2 -","- C56 H58 Si2 -","- C112 H116 Si4 -","2","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1847","0.104","","","0.2997","0.3654","","","","","","1.036","","","","has coordinates","173461","2020-10-21","18:00:00",""
"4124828","23.848","0.003","19.628","0.003","7.4604","0.0009","90","","90","","90","","3492.1","0.8","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,14-di(trimethylsilylethynyl)dibenzo[a,m]rubicene","","- C44 H34 Si2 -","- C44 H34 Si2 -","- C176 H136 Si8 -","4","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1532","0.0673","","","0.1331","0.1873","","","","","","0.956","","","","has coordinates","173462","2020-10-21","18:00:00",""
"4124829","45.98","0.004","3.9168","0.0003","23.698","0.002","90","","110.371","0.002","90","","4001","0.6","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","dibenzo[a,m]rubicene","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0944","0.047","","","0.1014","0.128","","","","","","0.993","","","","has coordinates","173463","2020-10-21","18:00:00",""
"4124830","12.0444","0.0006","5.7447","0.0003","25.5486","0.0014","90","","101.227","0.001","90","","1733.92","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,14-di(3,5-dimethoxyphenyl)dibenzo[a,m]rubicene","","- C50 H34 O4 -","- C50 H34 O4 -","- C100 H68 O8 -","2","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0565","0.0397","","","0.1022","0.113","","","","","","1.033","","","","has coordinates","173464","2020-10-21","18:00:00",""
"4124831","21.236","0.004","24.857","0.005","7.6161","0.0014","90","","90","","90","","4020.3","1.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","5,14-di(t-butyldimethylsilylethynyl)dibenzo[a,m]rubicene","","- C50 H46 Si2 -","- C50 H46 Si2 -","- C200 H184 Si8 -","4","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.171","0.0572","","","0.1168","0.1704","","","","","","1.027","","","","has coordinates","173465","2020-10-21","18:00:00",""
"4124832","7.3874","0.0014","8.2772","0.0016","13.402","0.003","94.032","0.004","101.952","0.005","103.382","0.005","773.9","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","bromo-dimethyl-(C,N,N'-(2-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)phenyl)platinum","","- C14 H25 Br N2 Pt -","- C14 H25 Br N2 Pt -","- C28 H50 Br2 N4 Pt2 -","2","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0233","0.021","","","0.0493","0.0502","","","","","","1.037","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124833","17.915","0.003","25.896","0.005","11.227","0.003","90","","90","","90","","5208.5","1.9","90","","90","","","","","","","","","6","F d d 2","F 2 -2d","43","","bromine-(dimethylsufide)-(C,N-(3-methyl-2-((methylimino)methyl)phenyl)platinum","","- C11 H16 Br N Pt S -","- C11 H16 Br N Pt S -","- C176 H256 Br16 N16 Pt16 S16 -","16","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0106","0.0104","","","0.0248","0.0249","","","","","","1.055","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124834","8.6717","0.0002","21.2892","0.0006","17.7844","0.0005","90","","90.304","0.001","90","","3283.2","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 F3 O6 S Si2 Ti -","- C27 H48 F3 O6 S Si2 Ti -","- C108 H192 F12 O24 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0397","0.032","","","0.0776","0.0826","","","","","","1.042","","","","has coordinates","173467","2020-10-21","18:00:00",""
"4124835","10.1464","0.0004","10.2342","0.0004","14.6704","0.0006","100.85","0.001","93.18","0.001","94.686","0.001","1487.23","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 F3 O7 S Si2 Ti -","- C23 H43 F3 O7 S Si2 Ti -","- C46 H86 F6 O14 S2 Si4 Ti2 -","2","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0458","0.0329","","","0.0768","0.0844","","","","","","1.018","","","","has coordinates","173468","2020-10-21","18:00:00",""
"4124836","12.3619","0.0008","14.2625","0.001","15.1193","0.001","90","","90","","90","","2665.7","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H37 F3 O4 S Si2 Ti -","- C23 H37 F3 O4 S Si2 Ti -","- C92 H148 F12 O16 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0285","0.0259","","","0.0669","0.0686","","","","","","1.072","","","","has coordinates","173469","2020-10-21","18:00:00",""
"4124837","12.7082","0.0002","13.9806","0.0002","14.9119","0.0002","90","","90","","90","","2649.37","0.07","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H36 F3 O3 S Si2 Ti -","- C23 H36 F3 O3 S Si2 Ti -","- C92 H144 F12 O12 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0505","0.0414","","","0.1084","0.1167","","","","","","1.039","","","","has coordinates","173470","2020-10-21","18:00:00",""
"4124838","6.3279","0.00013","10.2173","0.0002","31.5941","0.0006","90","","90","","90","","2042.69","0.07","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji","Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals.","Journal of the American Chemical Society","2015","137","51","16016","16019","10.1021/jacs.5b11518","","","1.54187","CuKα","","0.0543","0.0467","","","0.1234","0.132","","","","","","1.04","","","","has coordinates","173471","2020-10-21","18:00:00",""
"4129272","8.5759","0.0012","10.6357","0.0014","12.1368","0.0017","105.6","0.004","103.735","0.004","101.856","0.004","991.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","1","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","","0.71073","MoKα","","0.0421","0.0325","","","0.0812","0.0865","","","","","","1.047","","","","has coordinates","240027","2020-10-21","18:00:00",""
"4129273","17.7467","0.0005","10.0959","0.0002","43.4589","0.0005","90","","90","","90","","7786.5","0.3","123","","123","","","","","","","","see text","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cu2 I2 N2 P2 -","- C36 H32 Cu2 I2 N2 P2 -","- C288 H256 Cu16 I16 N16 P16 -","8","1","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0597","0.056","","","0.1396","0.1407","","","","","","1.054","","","","has coordinates","240028","2020-10-21","18:00:00",""
"4129274","9.9441","0.0002","9.9441","0.0002","64.373","0.0015","90","","90","","120","","5512.7","0.2","293","","293","","","","","","","","see text","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C222 H204 Br12 Cl12 Cu12 N12 P12 -","6","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0486","0.0468","","","0.1054","0.1064","","","","","","1.059","","","","has coordinates","240029","2020-10-21","18:00:00",""
"4129275","15.7607","0.0008","16.9627","0.0009","18.2945","0.001","90","","90","","90","","4890.9","0.4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu2 F6 N6 O10.5 S2 -","- C48 H38 Cu2 F6 N6 O10.5 S2 -","- C192 H152 Cu8 F24 N24 O42 S8 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.1089","","","","0.1899","","","","","","1","","","","has coordinates","240030","2020-10-21","18:00:00",""
"4129276","4.608","0.012","10.41","0.03","27.47","0.07","90","","90","","90","","1318","6","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.0289","","","","0.0669","","","","","","1","","","","has coordinates","240031","2020-10-21","18:00:00",""
"4129277","25.005","0.003","5.7568","0.0007","10.8764","0.0013","90","","90.027","0.002","90","","1565.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 F2 O4 P -","- C14 H19 F2 O4 P -","- C56 H76 F8 O16 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0406","0.0373","","","0.0917","0.094","","","","","","0.988","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129278","5.4421","0.0007","9.7834","0.0013","26.672","0.003","90","","90","","90","","1420.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F2 O5 P -","- C12 H17 F2 O5 P -","- C48 H68 F8 O20 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0261","0.0254","","","0.0682","0.0688","","","","","","0.991","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4129279","25.402","0.004","25.402","0.004","25.402","0.004","90","","90","","90","","16391","4","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C132 H96 N6 O16 Zr3 -","- C132 H87 N6 O16 Zr3 -","- C264 H174 N12 O32 Zr6 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1385","0.0817","","","0.2083","0.2503","","","","","","1.042","","","","has coordinates,has disorder","240034","2020-10-21","18:00:00",""
"4129280","25.4084","0.0008","25.4084","0.0008","25.4084","0.0008","90","","90","","90","","16403.3","0.9","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1451","0.1012","","","0.2521","0.298","","","","","","1.086","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129281","25.3669","0.001","25.3669","0.001","25.3669","0.001","90","","90","","90","","16323.1","1.1","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.116","0.0768","","","0.2205","0.2581","","","","","","1.019","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129282","25.4287","0.0002","25.4287","0.0002","25.4287","0.0002","90","","90","","90","","16442.7","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1024","0.087","","","0.2466","0.2713","","","","","","1.061","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129283","23.1573","0.0013","8.7306","0.0006","10.1458","0.0007","90","","92.893","0.004","90","","2048.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KC-CN-anti-26","","","- C44 H54 N2 O10 -","- C44 H54 N2 O10 -","- C88 H108 N4 O20 -","2","0.5","","Nicolaou, K. C.; Nilewski, Christian; Hale, Christopher R. H.; Ahles, Christopher F.; Chiu, Chiao An; Ebner, Christian; ElMarrouni, Abdelatif; Yang, Lifeng; Stiles, Katherine; Nagrath, Deepak","Synthesis and biological evaluation of dimeric furanoid macroheterocycles: discovery of new anticancer agents.","Journal of the American Chemical Society","2015","137","14","4766","4770","10.1021/jacs.5b00141","","","1.54178","CuKα","","0.0517","0.0387","","","0.1031","0.1145","","","","","","1.028","","","","has coordinates","240035","2020-10-21","18:00:00",""
"4129284","15.2219","0.0008","7.3672","0.0003","20.4067","0.0009","90","","90","","90","","2288.46","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5b","","","- C11 H9 N3 O5 -","- C11 H9 N3 O5 -","- C88 H72 N24 O40 -","8","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0445","0.0384","","","0.0986","0.1042","","","","","","1.05","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129285","8.7977","0.0005","7.8194","0.0005","15.8743","0.001","90","","97.043","0.001","90","","1083.8","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6b","","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0413","0.0332","","","0.0877","0.0934","","","","","","1.053","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129286","9.3929","0.0006","6.9352","0.0005","21.3856","0.0014","90","","90.526","0.001","90","","1393.03","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0523","0.0372","","","0.0925","0.1032","","","","","","1.023","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129287","12.5462","0.001","13.8742","0.0012","17.3057","0.0012","90","","92.979","0.006","90","","3008.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N O8 P Pd S -","- C29 H38 N O8 P Pd S -","- C116 H152 N4 O32 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0642","0.0459","","","0.1117","0.1191","","","","","","0.991","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129288","15.6234","0.0014","13.435","0.0008","16.2967","0.0012","90","","93.679","0.007","90","","3413.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N O9 P Pd S -","- C33 H42 N O9 P Pd S -","- C132 H168 N4 O36 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0689","0.0436","","","0.0899","0.0969","","","","","","0.925","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129289","25.3175","0.0018","12.1322","0.0008","19.9435","0.0014","90","","121.435","0.001","90","","5226.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F12 N3 O S -","- C24 H19 F12 N3 O S -","- C192 H152 F96 N24 O8 S8 -","8","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0548","0.0474","","","0.1217","0.1276","","","","","","1.004","","","","has coordinates","240038","2020-10-21","18:00:00",""
"4129290","8.567","0.002","14.302","0.005","14.504","0.003","86.129","0.014","83.022","0.011","77.121","0.014","1718.1","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","1","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0709","0.0598","","","0.1385","0.1442","","","","","","1.071","","","","has coordinates","240039","2020-10-21","18:00:00",""
"4129291","25.2209","0.0005","15.1985","0.0003","19.9181","0.0004","90","","94.772","0.002","90","","7608.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(39718)-C82/Ni(OEP)/2benzene;","","","- C130.75 H56 N5 Ni Sc3 -","- C130.74 H56 N5 Ni Sc3 -","- C522.96 H224 N20 Ni4 Sc12 -","4","0.5","","Wei, Tao; Wang, Song; Liu, Fupin; Tan, Yuanzhi; Zhu, Xianjun; Xie, Suyuan; Yang, Shangfeng","Capturing the long-sought small-bandgap endohedral fullerene Sc3N@C82 with low kinetic stability.","Journal of the American Chemical Society","2015","137","8","3119","3123","10.1021/jacs.5b00199","","","1.54178","CuKα","","0.0769","0.0721","","","0.1983","0.2034","","","","","","0.937","","","","has coordinates,has disorder","240040","2020-10-21","18:00:00",""
"4129292","8.385","0.0009","5.7634","0.0006","11.4508","0.0011","90","","104.014","0.003","90","","536.9","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 S -","- C10 H11 Br O2 S -","- C20 H22 Br2 O4 S2 -","2","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones.","Journal of the American Chemical Society","2015","137","9","3201","3204","10.1021/jacs.5b00216","","","0.71073","MoKα","","0.0381","0.0368","","","0.1083","0.1089","","","","","","1.463","","","","has coordinates","240041","2020-10-21","18:00:00",""
"4129293","13.862","0.003","14.0765","0.0015","15.5813","0.0016","111.051","0.001","103.129","0.002","103.273","0.002","2596.3","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H148 S8 -","- C112 H148 S8 -","- C112 H148 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1144","0.0747","","","0.1987","0.2343","","","","","","1.012","","","","has coordinates","240042","2020-10-21","18:00:00",""
"4129294","13.974","0.002","14.476","0.003","15.636","0.003","111.929","0.002","102.116","0.002","106.974","0.002","2618.7","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H144 S8 -","- C112 H144 S8 -","- C112 H144 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.0967","0.0686","","","0.1555","0.179","","","","","","1.037","","","","has coordinates","240043","2020-10-21","18:00:00",""
"4129295","18.307","0.002","27.919","0.004","25.686","0.003","90","","96.475","0.002","90","","13045","3","108","2","108","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1_C60","","","- C172 H148 S8 -","- C172 H148 S8 -","- C688 H592 S32 -","4","1","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1323","0.0635","","","0.1575","0.2181","","","","","","1.051","","","","has coordinates,has disorder","240044","2020-10-21","18:00:00",""
"4129296","17.654","0.005","17.88","0.005","35.319","0.01","80.634","0.003","77.456","0.003","61.448","0.003","9536","5","108","2","108","2","","","","","","","","3","P -1","-P 1","2","2_c60","","","- C172 H144 S8 -","- C172 H144 S8 -","- C516 H432 S24 -","3","1.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.2128","0.1137","","","0.2811","0.353","","","","","","1.02","","","","has coordinates","240045","2020-10-21","18:00:00",""
"4129297","17.262","0.0004","14.7551","0.0004","10.0083","0.0002","90","","92.0691","0.0007","90","","2547.48","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O12 Si4 -","- C36 H76 N4 O12 Si4 -","- C72 H152 N8 O24 Si8 -","2","0.5","","Kinoshita, Shota; Watase, Seiji; Matsukawa, Kimihiro; Kaneko, Yoshiro","Selective Synthesis of cis-trans-cis Cyclic Tetrasiloxanes and the Formation of Their Two-Dimensional Layered Aggregates.","Journal of the American Chemical Society","2015","137","15","5061","5065","10.1021/jacs.5b00319","","","0.71075","MoKα","","","0.0834","","","","0.2491","","","","","","1.346","","","","has coordinates","240046","2020-10-21","18:00:00",""
"4129298","29.9525","0.0003","29.9525","0.0003","29.9525","0.0003","90","","90","","90","","26872","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C59 H42 O13 Zn4 -","- C59 H42 O13 Zn4 -","- C354 H252 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0315","0.0292","","","0.0771","0.0797","","","","","","1.068","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129299","29.9508","0.0005","29.9508","0.0005","29.9508","0.0005","90","","90","","90","","26867.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C67 H58 O13 Zn4 -","- C67 H58 O13 Zn4 -","- C402 H348 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.05","0.0441","","","0.108","0.1114","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129300","29.9363","0.0005","29.9363","0.0005","29.9363","0.0005","90","","90","","90","","26828.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C83 H90 O13 Zn4 -","- C83 H90 O13 Zn4 -","- C498 H540 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0404","0.0389","","","0.1145","0.1157","","","","","","1.096","","","","has coordinates,has disorder","240048","2020-10-21","18:00:00",""
"4129301","29.8614","0.0005","29.8614","0.0005","29.8614","0.0005","90","","90","","90","","26627.5","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C99 H122 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0921","0.0786","","","0.248","0.2602","","","","","","1.069","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129302","29.8116","0.0015","29.8116","0.0015","29.8116","0.0015","90","","90","","90","","26495","2","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C115 H154 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0964","0.0803","","","0.2579","0.2756","","","","","","1.104","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129303","29.8062","0.0003","29.8062","0.0003","29.8062","0.0003","90","","90","","90","","26480.1","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C131 H186 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1171","0.1115","","","0.3743","0.3777","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129304","11.1927","0.0002","15.03","0.0003","22.5983","0.0016","100.2","0.007","101.975","0.007","96.601","0.007","3614.4","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H120 O3 -","- C81 H120 O3 -","- C162 H240 O6 -","2","1","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1093","0.0856","","","0.2505","0.302","","","","","","1.168","","","","has coordinates,has disorder","240049","2020-10-21","18:00:00",""
"4129305","14.1037","0.0005","17.4186","0.0006","17.501","0.0006","75.039","0.002","66.871","0.002","80.176","0.002","3808.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H26","","","- C94 H78 O6 -","- C94 H74 O6 -","- C188 H148 O12 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1595","0.1161","","","0.3338","0.3762","","","","","","1.439","","","","has coordinates,has disorder","240050","2020-10-21","18:00:00",""
"4129306","14.5474","0.0005","16.138","0.0005","17.4588","0.0005","99.277","0.001","101.011","0.001","108.048","0.001","3717.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H30","","","- C94 H78 O4 -","- C94 H78 O4 -","- C188 H156 O8 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","1.54178","CuKα","","0.0753","0.0659","","","0.1899","0.1976","","","","","","1.047","","","","has coordinates,has disorder","240051","2020-10-21","18:00:00",""
"4129307","12.0338","0.0008","15.7225","0.0011","16.3451","0.0012","62.311","0.001","88.656","0.001","77.794","0.001","2666.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetrahexyloxy bitropone-embedded HBC","","","- C68 H66 O6 -","- C68 H66 O6 -","- C68 H66 O6 -","1","0.5","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1275","0.0772","","","0.1908","0.2298","","","","","","1.041","","","","has coordinates,has disorder","240052","2020-10-21","18:00:00",""
"4129308","12.6749","0.001","6.1713","0.0005","13.4149","0.0011","90","","90.8147","0.0012","90","","1049.22","0.15","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0547","","","","","","1.04","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129309","12.5164","0.0009","6.0894","0.0004","13.3977","0.001","90","","90.122","0.0011","90","","1021.14","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0186","0.0173","","","0.0422","0.0426","","","","","","1.136","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129310","9.1304","0.0008","13.7261","0.0012","9.4089","0.0008","90","","118.597","0.0011","90","","1035.32","0.16","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.032","0.0264","","","0.0624","0.0651","","","","","","1.038","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129311","9.0493","0.0007","13.3796","0.001","9.3465","0.0007","90","","118.359","0.0009","90","","995.83","0.13","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0163","0.015","","","0.0391","0.0396","","","","","","1.076","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129312","7.954","0.0007","9.5826","0.0008","16.2147","0.0014","90","","89.148","0.001","90","","1235.75","0.18","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0535","0.0404","","","0.1082","0.1173","","","","","","1.039","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129313","7.8361","0.0005","9.6699","0.0007","15.7801","0.0011","90","","90.242","0.001","90","","1195.72","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.02","0.0184","","","0.0477","0.0484","","","","","","1.047","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129314","7.7233","0.0003","9.1834","0.0003","9.1909","0.0003","66.702","0.001","84.439","0.001","73.064","0.001","572.63","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0539","0.0494","","","0.1518","0.1558","","","","","","1.09","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129315","10.0091","0.0008","10.0755","0.0008","12.5454","0.001","85.0856","0.0013","73.6923","0.0012","69.0129","0.0012","1133.55","0.16","265","","265","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0389","0.0318","","","0.0879","0.0912","","","","","","1.065","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129316","9.9896","0.0009","10.0635","0.0009","12.5388","0.0011","85.316","0.001","73.85","0.001","69.027","0.001","1130.34","0.17","240","","240","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0332","0.0278","","","0.0738","0.0765","","","","","","1.033","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129317","9.9647","0.0008","10.0419","0.0009","12.5208","0.0011","85.4641","0.0013","73.8886","0.0012","68.957","0.0012","1123.11","0.17","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0253","0.022","","","0.0564","0.0579","","","","","","1.055","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129318","9.9226","0.0008","9.9944","0.0008","12.4828","0.001","85.74","0.0011","73.833","0.0011","68.815","0.0011","1108.14","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0198","0.0187","","","0.048","0.0484","","","","","","1.07","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129319","25.9989","0.0015","25.9989","0.0015","42.656","0.003","90","","90","","120","","24970","3","100","2","99.65","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C261 H195 F6 N12 O168 Y27 -","- C261 H195 F6 N12 O167.1 Y27 -","- C522 H390 F12 N24 O334.2 Y54 -","2","0.0833333","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0816","0.073","","","0.2067","0.217","","","","","","1.124","","","","has coordinates,has disorder","240054","2020-10-21","18:00:00",""
"4129320","29.3518","0.0016","29.3518","0.0016","21.1634","0.0016","90","","90","","120","","15790.1","1.7","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C316 H220 F4 N24 O203.27 Y30.68 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1308","0.0997","","","0.2859","0.3214","","","","","","1.107","","","","has coordinates,has disorder","240055","2020-10-21","18:00:00",""
"4129321","26.445","0.002","26.445","0.002","21.08","0.002","90","","90","","120","","12767","1.8","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0673","0.0587","","","0.1795","0.1948","","","","","","1.096","","","","has coordinates,has disorder","240056","2020-10-21","18:00:00",""
"4129322","26.3169","0.0012","26.3169","0.0012","26.3903","0.0016","90","","90","","120","","15828.7","1.4","100","2","99.65","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C240 H132 F6 O168.5 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1049","0.0859","","","0.2293","0.2472","","","","","","1.086","","","","has coordinates,has disorder","240057","2020-10-21","18:00:00",""
"4129323","26.1763","0.0009","26.1763","0.0009","26.3956","0.0011","90","","90","","120","","15663.1","1","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C270 H209 F6 N11 O187.5 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0711","0.0681","","","0.2147","0.2183","","","","","","1.144","","","","has coordinates,has disorder","240058","2020-10-21","18:00:00",""
"4129324","8.964","0.001","9.347","0.001","19.713","0.002","90","","90","","90","","1651.7","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Matthies, Stefan; Stallforth, Pierre; Seeberger, Peter H.","Total synthesis of legionaminic acid as basis for serological studies.","Journal of the American Chemical Society","2015","137","8","2848","2851","10.1021/jacs.5b00455","","","0.71069","MoKα","","0.1071","0.0566","","","0.1317","0.1501","","","","","","0.805","","","","has coordinates","240059","2020-10-21","18:00:00",""
"4129325","18.0006","0.0013","22.0279","0.0015","11.4933","0.0008","90","","90","","90","","4557.3","0.6","102","2","102","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C96 H164 F48 Fe4 N28 O52 S16 Sc4 -","4","0.5","","Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Jasniewski, Andrew J.; Van Heuvelen, Katherine M.; Münck, Eckard; Que, Jr, Lawrence","Spectroscopic identification of an Fe(III) center, not Fe(IV), in the crystalline Sc-O-Fe adduct derived from [Fe(IV)(O)(TMC)]²⁺.","Journal of the American Chemical Society","2015","137","10","3478","3481","10.1021/jacs.5b00535","","","0.71073","MoKα","","0.108","0.0791","","","0.1984","0.2196","","","","","","1.043","","","","has coordinates,has disorder","240060","2020-10-21","18:00:00",""
"4129326","11.3535","0.0004","15.0535","0.0005","16.8302","0.0006","90","","90","","90","","2876.45","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F12 N4 O4 Pd -","- C27 H16 F12 N4 O4 Pd -","- C108 H64 F48 N16 O16 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0168","0.0165","","","0.0427","0.0429","","","","","","1.067","","","","has coordinates,has disorder","240061","2020-10-21","18:00:00",""
"4129327","10.082","0.0002","14.0144","0.0003","20.7098","0.0005","90","","90","","90","","2926.15","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 F6 N4 O2 Pd -","- C31 H26 F6 N4 O2 Pd -","- C124 H104 F24 N16 O8 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0187","0.018","","","0.0426","0.0429","","","","","","1.049","","","","has coordinates","240062","2020-10-21","18:00:00",""
"4129328","10.9062","0.0008","9.951","0.0006","12.8568","0.0019","90","","92.754","0.01","90","","1393.7","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","TITNB","1,3,5-triiodo-2,4,6-trinitrobenzene","","- C6 I3 N3 O6 -","- C6 I3 N3 O6 -","- C24 I12 N12 O24 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0489","0.0422","","","0.1062","0.1343","","","","","","1.194","","","","has coordinates","240063","2020-10-21","18:00:00",""
"4129329","25.909","0.002","10.0061","0.0007","8.2501","0.0008","90","","97.684","0.007","90","","2119.6","0.3","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DADP - TITNB","diacetone diperoxide - 1,3,5-triiodo-2,4,6-trinitrobenzene","","- C12 H12 I3 N3 O10 -","- C12 H12 I3 N3 O10 -","- C48 H48 I12 N12 O40 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0765","0.0646","","","0.1526","0.1949","","","","","","1.228","","","","has coordinates,has disorder","240064","2020-10-21","18:00:00",""
"4129330","8.7248","0.0007","19.3165","0.0015","10.0086","0.0008","90","","93.949","0.002","90","","1682.8","0.2","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.075","0.0519","","","0.1356","0.1499","","","","","","1.035","","","","has coordinates","240065","2020-10-21","18:00:00",""
"4129331","13.55","0.013","9.029","0.009","12.105","0.012","90","","98.554","0.017","90","","1464","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.0814","0.0706","","","0.1781","0.1933","","","","","","1.052","","","","has coordinates","240066","2020-10-21","18:00:00",""
"4129332","13.2436","0.0014","9.5398","0.0011","16.2198","0.0018","90","","93.458","0.005","90","","2045.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C92 H76 Br4 O12 S4 -","4","2","","Luan, Yi; Barbato, Keith S.; Moquist, Philip N.; Kodama, Tomohiro; Schaus, Scott E.","Enantioselective synthesis of 1,2-dihydronaphthalene-1-carbaldehydes by addition of boronates to isochromene acetals catalyzed by tartaric acid.","Journal of the American Chemical Society","2015","137","9","3233","3236","10.1021/jacs.5b00757","","","0.71073","MoKα","","0.0493","0.0333","","","0.0768","0.0828","","","","","","1.025","","","","has coordinates","240067","2020-10-21","18:00:00",""
"4129333","7.3951","0.0008","9.2405","0.001","12.4955","0.0013","94.9772","0.0019","92.9909","0.0018","99.6841","0.0019","836.59","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0601","0.0485","","","0.125","0.134","","","","","","1.034","","","","has coordinates","240068","2020-10-21","18:00:00",""
"4129334","8.411","0.0012","10.3006","0.0016","10.305","0.0016","70.889","0.003","85.787","0.003","72.497","0.003","804.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0863","0.0471","","","0.0951","0.1084","","","","","","1.007","","","","has coordinates","240069","2020-10-21","18:00:00",""
"4129335","7.4065","0.0015","8.0566","0.0017","13.665","0.003","75.314","0.004","82.752","0.003","63.733","0.004","707.2","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B Cl F N O3 -","- C16 H10 B Cl F N O3 -","- C32 H20 B2 Cl2 F2 N2 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1035","0.0598","","","0.1443","0.1626","","","","","","1.031","","","","has coordinates","240070","2020-10-21","18:00:00",""
"4129336","7.7516","0.0006","9.2538","0.0008","10.376","0.0009","76.366","0.005","86.963","0.004","76.196","0.004","702.42","0.1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B F N2 O3 -","- C15 H14 B F N2 O3 -","- C30 H28 B2 F2 N4 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0903","0.0953","","","","","","1.076","","","","has coordinates","240071","2020-10-21","18:00:00",""
"4129337","8.0588","0.001","10.1037","0.0013","10.6276","0.0012","74.904","0.005","88.49","0.005","74.088","0.005","802.52","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F N O2 -","- C21 H15 B F N O2 -","- C42 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0721","0.0464","","","0.1145","0.1288","","","","","","1.046","","","","has coordinates","240072","2020-10-21","18:00:00",""
"4129338","6.9935","0.0018","10.276","0.003","12.131","0.003","96.774","0.007","105.302","0.006","100.671","0.007","813.4","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1061","0.0492","","","0.1017","0.1202","","","","","","0.999","","","","has coordinates","240073","2020-10-21","18:00:00",""
"4129339","8.991","0.003","11.016","0.003","11.145","0.003","81.671","0.011","81.588","0.012","68.426","0.01","1010.5","0.5","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 B Br F N O2 -","- C25 H18 B Br F N O2 -","- C50 H36 B2 Br2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0639","0.0425","","","0.0974","0.1065","","","","","","1.067","","","","has coordinates","240074","2020-10-21","18:00:00",""
"4129340","11.4687","0.0017","9.8441","0.0014","14.44","0.002","90","","90.605","0.003","90","","1630.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C80 H68 B4 F4 N4 O8 -","4","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0642","0.0516","","","0.1303","0.14","","","","","","1.021","","","","has coordinates","240075","2020-10-21","18:00:00",""
"4129341","8.0565","0.0007","9.3185","0.0008","11.2177","0.0009","71.286","0.002","88.038","0.002","76.741","0.002","775.67","0.11","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B F N O2 -","- C19 H15 B F N O2 -","- C38 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0456","0.0384","","","0.1027","0.109","","","","","","1.03","","","","has coordinates","240076","2020-10-21","18:00:00",""
"4129342","24.7411","0.0013","24.7411","0.0013","109.349","0.006","90","","90","","120","","57967","5","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H179 Co4 N52 O15.5 S12 -","- C133.98 H168 Co4 N52 O15.49 S12 -","- C1607.76 H2016 Co48 N624 O185.88 S144 -","12","0.333333","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1154","0.0735","","","0.2174","0.2339","","","","","","1.016","","","","has coordinates,has disorder","240077","2020-10-21","18:00:00",""
"4129343","9.712","0.0008","24.68","0.002","21.697","0.0018","90","","92.404","0.005","90","","5196","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 Co N16 O4 S3 -","- C42 H67 Co N16 O4 S3 -","- C168 H268 Co4 N64 O16 S12 -","4","1","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1459","0.0787","","","0.1767","0.2005","","","","","","0.996","","","","has coordinates,has disorder","240078","2020-10-21","18:00:00",""
"4129344","20.8844","0.0008","20.8844","0.0008","20.8844","0.0008","90","","90","","90","","9108.9","0.6","200","2","200","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H50 Co4 N40 O8 S12 -","- C60.12 H76.32 Co4 N40.08 O7.92 S12 -","- C120.24 H152.64 Co8 N80.16 O15.84 S24 -","2","0.0416667","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1496","0.067","","","0.1546","0.1615","","","","","","1.077","","","","has coordinates,has disorder","240079","2020-10-21","18:00:00",""
"4129345","14.2611","0.0006","17.3092","0.0005","18.8689","0.0007","90","","90","","90","","4657.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H84 Li2 N2 O4 Si4 -","- C39 H84 Li2 N2 O4 Si4 -","- C156 H336 Li8 N8 O16 Si16 -","4","1","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0404","0.0364","","","0.0999","0.1033","","","","","","1","","","","has coordinates","240080","2020-10-21","18:00:00",""
"4129346","9.3843","0.0002","9.3843","0.0002","51.04","0.002","90","","90","","90","","4494.8","0.2","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H76 Li2 N2 O6 Si4 -","- C32 H76 Li2 N2 O6 Si4 -","- C128 H304 Li8 N8 O24 Si16 -","4","0.5","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0493","0.0443","","","0.1041","0.1067","","","","","","1","","","","has coordinates","240081","2020-10-21","18:00:00",""
"4129347","10.7398","0.0008","12.4581","0.0009","14.3472","0.0013","90","","90","","90","","1919.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","20120034","","","- C17 H27 B Br N O2 -","- C17 H27 B Br N O2 -","- C68 H108 B4 Br4 N4 O8 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1904","0.0658","","","0.1508","0.2006","","","","","","0.985","","","","has coordinates","240082","2020-10-21","18:00:00",""
"4129348","6.0489","0.0002","15.1101","0.0006","9.9467","0.0004","90","","95.299","0.002","90","","905.24","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C19 H23 B Br N O -","- C19 H23 B Br N O -","- C38 H46 B2 Br2 N2 O2 -","2","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.0541","0.0342","","","0.0835","0.0904","","","","","","1.037","","","","has coordinates","240083","2020-10-21","18:00:00",""
"4129349","9.5503","0.0005","9.8672","0.0006","19.9286","0.0014","90","","90","","90","","1878","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Br N O -","- C19 H25 B Br N O -","- C76 H100 B4 Br4 N4 O4 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1456","0.0587","","","0.1384","0.1751","","","","","","0.957","","","","has coordinates","240084","2020-10-21","18:00:00",""
"4129350","15.8389","0.0012","10.474","0.0008","31.533","0.003","90","","101.18","0.002","90","","5131.9","0.7","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H45 B Fe O2 P4 -","- C18 H45 B Fe O2 P4 -","- C144 H360 B8 Fe8 O16 P32 -","8","1","","Dombray, Thomas; Werncke, C. Gunnar; Jiang, Shi; Grellier, Mary; Vendier, Laure; Bontemps, Sébastien; Sortais, Jean-Baptiste; Sabo-Etienne, Sylviane; Darcel, Christophe","Iron-catalyzed C-H borylation of arenes.","Journal of the American Chemical Society","2015","137","12","4062","4065","10.1021/jacs.5b00895","","x-ray","0.71073","MoKα","","0.0689","0.0679","","","0.1609","0.1612","","","","","","1.256","","","","has coordinates,has disorder","240085","2020-10-21","18:00:00",""
"4129351","9.929","0.005","10.121","0.005","12.554","0.005","93.953","0.005","94.846","0.005","90.647","0.005","1253.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N Si2 Ti -","- C24 H44 N Si2 Ti -","- C48 H88 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0272","0.0259","","","0.0712","0.0722","","","","","","1.066","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129352","8.8819","0.0004","16.3974","0.0008","18.2158","0.0009","84.747","0.001","84.959","0.001","82.055","0.001","2608.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Cl N Si2 Ti -","- C24 H42 Cl N Si2 Ti -","- C96 H168 Cl4 N4 Si8 Ti4 -","4","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0566","0.0493","","","0.1289","0.1413","","","","","","0.852","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129353","27.6821","0.0006","27.6929","0.0007","34.0662","0.0008","90","","90","","90","","26115.1","1.1","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C62 H62 B Cl F25 N Si2 Ti -","- C62 H62 B Cl F25 N Si2 Ti -","- C992 H992 B16 Cl16 F400 N16 Si32 Ti16 -","16","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54184","CuKα","","0.0994","0.0991","","","0.3063","0.3078","","","","","","1.598","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129354","13.9923","0.0009","14.352","0.0009","14.8495","0.0008","96.383","0.002","92.742","0.002","95.117","0.002","2946.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 B F24 N Si2 Ti -","- C56 H57 B F24 N Si2 Ti -","- C112 H114 B2 F48 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.096","0.0795","","","0.1982","0.2237","","","","","","1.043","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129355","8.594","0.005","14.684","0.005","20.92","0.005","90","","93.886","0.005","90","","2633.9","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl N Si2 Zr -","- C24 H44 Cl N Si2 Zr -","- C96 H176 Cl4 N4 Si8 Zr4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0439","0.0375","","","0.0933","0.0994","","","","","","1.069","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129356","19.6307","0.0004","19.6307","0.0004","34.1665","0.0008","90","","90","","90","","13166.6","0.5","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C62 H61 B Cl F25 N Si2 Zr -","- C62 H61 B Cl F25 N Si2 Zr -","- C496 H488 B8 Cl8 F200 N8 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54178","CuKα","","0.0568","0.0555","","","0.1459","0.1472","","","","","","1.054","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129357","8.4893","0.0003","9.0793","0.0003","19.2126","0.0006","82.979","0.001","89.616","0.001","64.858","0.001","1328.81","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Cl Si2 Zr -","- C24 H42 Cl Si2 Zr -","- C48 H84 Cl2 Si4 Zr2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0371","0.0278","","","0.0604","0.0635","","","","","","1.032","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129358","9.6952","0.0009","12.8096","0.0011","14.611","0.0013","94.717","0.002","90.136","0.002","94.751","0.002","1802.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B F3 N O4 -","- C17 H23 B F3 N O4 -","- C68 H92 B4 F12 N4 O16 -","4","2","","Shi, Hang; Babinski, David J.; Ritter, Tobias","Modular C-H functionalization cascade of aryl iodides.","Journal of the American Chemical Society","2015","137","11","3775","3778","10.1021/jacs.5b01082","","","0.71073","MoKα","","0.0576","0.0441","","","0.1139","0.1231","","","","","","1.02","","","","has coordinates","240087","2020-10-21","18:00:00",""
"4129359","22.9578","0.0005","10.1978","0.0002","24.618","0.0006","90","","90","","90","","5763.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H36 Cl2 N2 O Ru -","- C31 H36 Cl2 N2 O Ru -","- C248 H288 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0587","0.0461","","","0.0991","0.1043","","","","","","1.072","","","","has coordinates","240088","2020-10-21","18:00:00",""
"4129360","11.6691","0.0006","14.3203","0.0007","21.4702","0.0011","90","","102.345","0.002","90","","3504.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cl4 N2 O Ru -","- C34 H44 Cl4 N2 O Ru -","- C136 H176 Cl16 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0336","0.0276","","","0.0605","0.0655","","","","","","1.17","","","","has coordinates,has disorder","240089","2020-10-21","18:00:00",""
"4129361","19.095","0.0013","23.0197","0.0014","15.498","0.0011","90","","90","","90","","6812.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.136","0.0561","","","0.0724","0.089","","","","","","1.005","","","","has coordinates","240090","2020-10-21","18:00:00",""
"4129362","19.3436","0.0008","23.1535","0.0009","15.3598","0.0006","90","","90","","90","","6879.2","0.5","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0862","0.0445","","","0.0897","0.1027","","","","","","1.534","","","","has coordinates","275248","2022-05-09","01:52:23",""
"4129363","16.3602","0.0008","13.9923","0.0006","15.093","0.0007","90","","101.13","0.002","90","","3390.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl2 N2 O Ru -","- C37 H42 Cl2 N2 O Ru -","- C148 H168 Cl8 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0518","0.0296","","","0.0707","0.0788","","","","","","1.354","","","","has coordinates","240092","2020-10-21","18:00:00",""
"4129364","29.89","0.004","29.89","0.004","5.8875","0.0007","90","","90","","120","","4555.3","1","133","2","133","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H33 Cl O2 -","- C20 H33 Cl O2 -","- C180 H297 Cl9 O18 -","9","1","","Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D.","Synthesis and potent antimalarial activity of kalihinol B.","Journal of the American Chemical Society","2015","137","15","4912","4915","10.1021/jacs.5b01152","","","0.71073","MoKα","","0.0458","0.0391","","","0.0879","0.0909","","","","","","1.038","","","","has coordinates","240093","2020-10-21","18:00:00",""
"4129365","10.2957","0.0007","18.7762","0.001","11.7473","0.0008","90","","113.372","0.005","90","","2084.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H61 B2 Li O4 -","- C46 H61 B2 Li O4 -","- C92 H122 B4 Li2 O8 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0759","0.061","","","0.1416","0.1499","","","","","","1.077","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129366","10.6874","0.0007","11.5577","0.0008","17.3663","0.0012","101.338","0.005","99.271","0.005","106.041","0.005","1967.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 B2 Li2 O3 -","- C42 H58 B2 Li2 O3 -","- C84 H116 B4 Li4 O6 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0845","0.0701","","","0.174","0.184","","","","","","1.032","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129367","10.8223","0.0006","24.5017","0.0011","17.7344","0.0009","90","","104.485","0.004","90","","4553.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 B2 Li O5 -","- C50 H68 B2 Li O5 -","- C200 H272 B8 Li4 O20 -","4","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0988","0.0779","","","0.1992","0.2138","","","","","","1.048","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129368","9.0153","0.0009","10.5421","0.001","21.135","0.002","90","","90","","90","","2008.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 O S2 -","- C26 H16 O S2 -","- C104 H64 O4 S8 -","4","1","","Yang, Liu; Zheng, Huayu; Luo, Lei; Nan, Jiang; Liu, Jingjing; Wang, Yaoyu; Luan, Xinjun","Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer.","Journal of the American Chemical Society","2015","137","15","4876","4879","10.1021/jacs.5b01285","","","0.71073","MoKα","","0.0586","0.0448","","","0.1215","0.1349","","","","","","0.816","","","","has coordinates","240095","2020-10-21","18:00:00",""
"4129369","8.4926","0.0004","15.1772","0.0008","21.5393","0.0011","90","","90","","90","","2776.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S2 -","- C23 H26 N2 O4 S2 -","- C92 H104 N8 O16 S8 -","4","1","","Feng, Jian-Jun; Lin, Tao-Yan; Wu, Hai-Hong; Zhang, Junliang","Transfer of chirality in the rhodium-catalyzed intramolecular formal hetero-[5 + 2] cycloaddition of vinyl aziridines and alkynes: stereoselective synthesis of fused azepine derivatives.","Journal of the American Chemical Society","2015","137","11","3787","3790","10.1021/jacs.5b01305","","","0.71073","MoKα","","0.1086","0.0584","","","0.1533","0.1694","","","","","","0.955","","","","has coordinates","240096","2020-10-21","18:00:00",""
"4129370","13.4404","0.0018","6.0532","0.0008","31.206","0.004","90","","98.199","0.003","90","","2512.9","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br Cl O -","- C12 H16 Br Cl O -","- C96 H128 Br8 Cl8 O8 -","8","4","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.049","0.0409","","","0.1024","0.1061","","","","","","1.03","","","","has coordinates,has disorder","240097","2020-10-21","18:00:00",""
"4129371","8.6359","0.0008","10.3823","0.0009","11.5035","0.001","63.959","0.003","86.221","0.003","74.14","0.003","889.68","0.14","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br2 Cl O2 -","- C18 H17 Br2 Cl O2 -","- C36 H34 Br4 Cl2 O4 -","2","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0556","0.0415","","","0.0838","0.0889","","","","","","1.037","","","","has coordinates","240098","2020-10-21","18:00:00",""
"4129372","16.4144","0.0011","23.4402","0.0015","5.9992","0.0004","90","","90","","90","","2308.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H16.5 Br Cl O1.25 -","- C10 H16.5 Br Cl O1.25 -","- C80 H132 Br8 Cl8 O10 -","8","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0218","0.0185","","","0.0404","0.0412","","","","","","1.024","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4129373","7.9216","0.0003","7.4237","0.0003","8.8915","0.0004","90","","100.751","0.0011","90","","513.71","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H14 Br Cl O2 -","- C8 H14 Br Cl O2 -","- C16 H28 Br2 Cl2 O4 -","2","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","1.54184","CuKα","","0.0158","0.0158","","","0.0403","0.0404","","","","","","1.124","","","","has coordinates","240100","2020-10-21","18:00:00",""
"4129374","6.1762","0.0007","6.3096","0.0008","23.492","0.003","90","","90","","90","","915.47","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br Cl O2 -","- C7 H12 Br Cl O2 -","- C28 H48 Br4 Cl4 O8 -","4","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0169","0.0159","","","0.0384","0.0386","","","","","","1.06","","","","has coordinates","240101","2020-10-21","18:00:00",""
"4129375","11.2942","0.0005","23.5381","0.0011","15.3249","0.0007","90","","95.878","0.001","90","","4052.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Br Co2 N4 P3 -","- C39 H60 Br Co2 N4 P3 -","- C156 H240 Br4 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0471","0.0312","","","0.0651","0.0704","","","","","","1.011","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129376","24.6","0.002","14.0091","0.0013","12.6805","0.0012","90","","97.223","0.001","90","","4335.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H60 Co2 N4 P3 -","- C39 H60 Co2 N4 P3 -","- C156 H240 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0562","0.0432","","","0.095","0.1013","","","","","","1.032","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129377","21.5306","0.0017","19.8037","0.0015","31.964","0.003","90","","90","","90","","13629","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H96 Co2 K N8 O6 P3 -","- C57 H96 Co2 K N8 O6 P3 -","- C456 H768 Co16 K8 N64 O48 P24 -","8","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.12","0.0582","","","0.1203","0.141","","","","","","0.928","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129378","12.0635","0.0006","12.9418","0.0006","13.4585","0.0007","64.285","0.002","74.864","0.002","76.873","0.002","1811.7","0.16","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Cl2 Ir N6 O4 -","- C32 H40 B Cl2 Ir N6 O4 -","- C64 H80 B2 Cl4 Ir2 N12 O8 -","2","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.0332","0.0316","","","0.0917","0.093","","","","","","1.094","","","","has coordinates","240103","2020-10-21","18:00:00",""
"4129379","34.237","0.01","10.824","0.002","16.931","0.005","90","","111.218","0.008","90","","5849","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 B Ir N6 O4 -","- C31 H38 B Ir N6 O4 -","- C248 H304 B8 Ir8 N48 O32 -","8","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1164","0.0713","","","0.1565","0.2115","","","","","","1.093","","","","has coordinates","240104","2020-10-21","18:00:00",""
"4129380","11.3242","0.0015","20.201","0.002","15.107","0.002","90","","101.614","0.005","90","","3385.1","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B Ir N6 O8 -","- C32 H40 B Ir N6 O8 -","- C128 H160 B4 Ir4 N24 O32 -","4","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1153","0.0656","","","0.1524","0.1703","","","","","","0.934","","","","has coordinates","240105","2020-10-21","18:00:00",""
"4129381","7.2122","0.0003","13.7043","0.0005","27.1641","0.0011","90","","90","","90","","2684.85","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C128 H96 Br8 N8 O8 -","8","2","","Shen, Chong; Liu, Ren-Rong; Fan, Ren-Jie; Li, Ying-Long; Xu, Teng-Fei; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Arylative Dearomatization of Indoles via Pd-Catalyzed Intramolecular Reductive Heck Reactions.","Journal of the American Chemical Society","2015","137","15","4936","4939","10.1021/jacs.5b01705","","","0.71073","MoKα","","0.0882","0.0457","","","0.1138","0.1413","","","","","","0.839","","","","has coordinates","240106","2020-10-21","18:00:00",""
"4129382","14.7015","0.0017","8.9613","0.001","15.8849","0.0018","90","","114.88","0.002","90","","1898.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","2","","Zheng, Jun; Wang, Shao-Bo; Zheng, Chao; You, Shu-Li","Asymmetric Dearomatization of Naphthols via a Rh-Catalyzed C(sp²)-H Functionalization/Annulation Reaction.","Journal of the American Chemical Society","2015","137","15","4880","4883","10.1021/jacs.5b01707","","","0.71073","MoKα","","0.0515","0.0391","","","0.0945","0.0995","","","","","","1.007","","","","has coordinates","240107","2020-10-21","18:00:00",""
"4129383","22.5062","0.0003","22.5062","0.0003","11.0208","0.0005","90","","90","","90","","5582.4","0.3","173","","173","","","","","","","","","9","P 4 21 2","P 4ab 2ab","90","","","","- C79 H73 Ag4 Au4 B5 F20 N14 O P4 -","- C79 H52 Ag4 Au4 B5 F20 N14 O P4 -","- C158 H104 Ag8 Au8 B10 F40 N28 O2 P8 -","2","0.25","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1183","0.0844","","","0.1896","0.2089","","","","","","1.081","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129384","19.5362","0.0003","21.4752","0.0003","27.3013","0.0004","76.93","0.001","84.909","0.001","80.575","0.001","10990.8","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H68 Ag4 Au4 B5 F20 N12 O P4 -","- C80 H57 Ag4 Au4 B4.5 F18 N12 O P4 -","- C320 H228 Ag16 Au16 B18 F72 N48 O4 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1549","0.0849","","","0.2038","0.2555","","","","","","1.062","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129385","22.0485","0.0003","32.5162","0.0004","28.0735","0.0004","90","","97.359","0.001","90","","19961","0.5","172.95","0.1","172.95","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C164 H149 Ag8 Au8 B10 Cl0 F40 N25 O4 P8 -","- C164 H118 Ag8 Au8 B8 F32 N25 O4 P8 -","- C656 H472 Ag32 Au32 B32 F128 N100 O16 P32 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1072","0.0811","","","0.1943","0.2173","","","","","","1.094","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129386","16.7483","0.0009","30.1857","0.0016","20.9139","0.0009","90","","96.654","0.005","90","","10502","0.9","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C83 H87 Ag4 Au4 B5 F20 N12 O6 P4 -","- C83 H64 Ag4 Au4 B5 F19 N12 O6 P4 -","- C332 H256 Ag16 Au16 B20 F76 N48 O24 P16 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.16","0.085","","","0.1925","0.2457","","","","","","1.062","","","","has coordinates,has disorder","240108","2020-10-21","18:00:00",""
"4129387","16.1973","0.0005","16.6308","0.0004","20.6296","0.0007","101.403","0.002","93.404","0.002","115.575","0.002","4847.4","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C84 H80 Ag4 Au4 B5 F20 N13 Na0 O4 P4 -","- C84 H56 Ag4 Au4 B5 F20 N13 O4 P4 -","- C168 H112 Ag8 Au8 B10 F40 N26 O8 P8 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0765","0.0435","","","0.0921","0.1111","","","","","","1.034","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129388","19.9871","0.0013","20.5857","0.001","28.8504","0.0016","94.618","0.004","106.315","0.005","108.447","0.005","10618.3","1.2","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C157 H144 Ag8 Au8 B10 F40 N24 O6 P8 -","- C157 H112 Ag8 Au8 B10 F40 N24 O6 P8 -","- C314 H224 Ag16 Au16 B20 F80 N48 O12 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.7107","MoKα","","0.1069","0.077","","","0.1809","0.2037","","","","","","1.09","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129389","16.296","0.0003","16.881","0.0004","20.509","0.0004","100.93","0.002","93.259","0.002","116.217","0.002","4905.9","0.2","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C83 H80 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C83 H63 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C166 H126 Ag8 Au8 B10 F40 N30 O6 P8 S2 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0659","0.0438","","","0.1058","0.1251","","","","","","1.091","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129390","17.0945","0.0003","22.3918","0.0005","26.6588","0.0006","81.141","0.002","83.412","0.002","82.674","0.002","9953.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C154 H143 Ag8 Au8 B10 F40 N23 O2 P8 -","- C154 H131 Ag8 Au8 B10 F40 N23 O2 P8 -","- C308 H262 Ag16 Au16 B20 F80 N46 O4 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1828","0.0958","","","0.2027","0.2575","","","","","","1.035","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129391","17.2026","0.0009","23.0716","0.0014","26.8972","0.0012","88.519","0.004","80.909","0.004","69.262","0.005","9853","1","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C79.5 H92.25 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C79.5 H57 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C318 H228 Ag16 Au16 B20 F80 N54 O6 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.0929","0.0762","","","0.2097","0.22","","","","","","1.064","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129392","22.0571","0.0006","32.627","0.0012","33.4585","0.0012","90","","123.909","0.002","90","","19983.5","1.3","172.95","0.1","172.95","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C75 H70 Ag4 Au4 B5 F20 N11 O2 P4 -","- C75 H59 Ag4 Au4 B5 F20 N11 O2 P4 -","- C600 H472 Ag32 Au32 B40 F160 N88 O16 P32 -","8","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1744","0.1074","","","0.2081","0.2372","","","","","","1.107","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129393","13.9897","0.0009","14.7664","0.0008","15.7371","0.0008","102.086","0.004","105.557","0.005","114.653","0.006","2647.8","0.3","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C98 H82 Ag2 Au6 B4 Cl4 F16 N12 O2 P6 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0948","0.063","","","0.1052","0.1169","","","","","","1.05","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129394","22.8506","0.0011","26.8509","0.0012","27.2014","0.0013","90","","108.22","0.005","90","","15852.9","1.4","100.01","0.1","100.01","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C54 H51 Ag3 Au3 B4 Cl0 F16 N6 O P3 -","- C54 H51 Ag3 Au3 B4 F16 N6 O P3 -","- C432 H408 Ag24 Au24 B32 F128 N48 O8 P24 -","8","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1312","0.1187","","","0.3176","0.3407","","","","","","1.331","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129395","9.708","0.0002","13.1997","0.0004","18.5066","0.0005","89.376","0.002","78.395","0.002","77.582","0.002","2267.36","0.11","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H61 Cl N8 O Si -","- C46 H61 Cl N8 O Si -","- C92 H122 Cl2 N16 O2 Si2 -","2","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.0869","0.0754","","","0.179","0.1888","","","","","","1.063","","","","has coordinates,has disorder","240109","2020-10-21","18:00:00",""
"4129396","12.498","0.0006","13.8363","0.0007","18.2313","0.0008","90","","96.877","0.004","90","","3130","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N6 O4 Si2 -","- C66 H82 N6 O4 Si2 -","- C132 H164 N12 O8 Si4 -","2","0.5","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","","1.54184","CuKα","","0.096","0.0695","","","0.1731","0.1925","","","","","","1.078","","","","has coordinates,has disorder","240110","2020-10-21","18:00:00",""
"4129397","10.7865","0.0002","17.7748","0.0004","41.4406","0.0009","90","","97.225","0.002","90","","7882.2","0.3","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H120 N4 O8 Si4 -","- C74 H120 N4 O8 Si4 -","- C296 H480 N16 O32 Si16 -","4","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.1079","0.0789","","","0.1803","0.1973","","","","","","1.037","","","","has coordinates,has disorder","240111","2020-10-21","18:00:00",""
"4129398","13.3991","0.0015","13.9186","0.0015","8.42","0.0009","90","","90","","90","","1570.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H22 Br P -","- C15 H22 Br P -","- C60 H88 Br4 P4 -","4","1","","Reichl, Kyle D.; Dunn, Nicole L.; Fastuca, Nicholas J.; Radosevich, Alexander T.","Biphilic Organophosphorus Catalysis: Regioselective Reductive Transposition of Allylic Bromides via P(III)/P(V) Redox Cycling.","Journal of the American Chemical Society","2015","137","16","5292","5295","10.1021/jacs.5b01899","","","0.71073","MoKα","","0.0411","0.0335","","","0.0843","0.0872","","","","","","0.998","","","","has coordinates","240112","2020-10-21","18:00:00",""
"4129399","6.4155","0.0008","15.9951","0.0019","19.986","0.002","90","","90","","90","","2050.9","0.4","100","0.5","100","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","weixyz03","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0704","0.0482","","","0.0983","0.1079","","","","","","1.034","","","","has coordinates","240113","2020-10-21","18:00:00",""
"4129400","6.511","0.001","25.826","0.004","6.5577","0.001","90","","110.315","0.003","90","","1034.1","0.3","100","0.5","100","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","weixyz02","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0431","0.0385","","","0.0938","0.0962","","","","","","1.074","","","","has coordinates","240115","2020-10-21","18:00:00",""
"4129401","9.0914","0.0015","9.1163","0.0015","10.4464","0.0017","79.339","0.003","82.318","0.003","65.198","0.003","770.8","0.2","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","weixyz01","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","2","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.1006","0.0634","","","0.1366","0.1574","","","","","","1.038","","","","has coordinates,has disorder","240116","2020-10-21","18:00:00",""
"4129402","7.62594","0.00009","13.76475","0.00018","15.17422","0.00018","90","","90","","90","","1592.83","0.03","293.8","0.2","293.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.5418","CuKα","","0.0346","0.0334","","","0.0903","0.0918","","","","","","1.03","","","","has coordinates","240117","2020-10-21","18:00:00",""
"4129403","8.13784","0.00015","10.2608","0.0002","15.6066","0.0003","90","","90","","90","","1303.16","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.54184","CuKα","","0.0355","0.0351","","","0.0945","0.095","","","","","","1.003","","","","has coordinates","240118","2020-10-21","18:00:00",""
"4129404","5.0858","0.0005","8.4697","0.0009","29.59","0.003","90","","90","","90","","1274.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C13 H14 F3 N O -","- C13 H14 F2.997 N O -","- C52 H56 F11.988 N4 O4 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0413","0.0364","","","0.088","0.0911","","","","","","1.067","","","","has coordinates,has disorder","240119","2020-10-21","18:00:00",""
"4129405","5.5932","0.0001","11.272","0.0002","22.6456","0.0004","90","","90","","90","","1427.73","0.04","223.2","0.2","223.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2-(-(naphtalen-2-yl)allyl)-1,3-dithiolane","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","1.54178","CuKα","","0.0337","0.0313","","","0.0781","0.0804","","","","","","1.045","","","","has coordinates,has disorder","240120","2020-10-21","18:00:00",""
"4129406","8.2312","0.0005","12.0232","0.0007","18.8874","0.0012","90","","90","","90","","1869.2","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((S)-2-(methoxymethyl)pyrrolidin-1-yl)-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C19 H25 F3 N2 O2 -","- C19 H25 F3 N2 O2 -","- C76 H100 F12 N8 O8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0646","0.0661","","","","","","1.034","","","","has coordinates","240121","2020-10-21","18:00:00",""
"4129407","19.1583","0.0019","13.2632","0.0012","20.363","0.002","90","","104.173","0.003","90","","5016.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 O -","- C27 H36 N3 O -","- C216 H288 N24 O8 -","8","2","","Park, Junbeom; Song, Hayoung; Kim, Youngsuk; Eun, Bit; Kim, Yonghwi; Bae, Dae Young; Park, Sungho; Rhee, Young Min; Kim, Won Jong; Kim, Kimoon; Lee, Eunsung","N-heterocyclic carbene nitric oxide radicals.","Journal of the American Chemical Society","2015","137","14","4642","4645","10.1021/jacs.5b01976","","","0.71073","MoKα","","0.1619","0.137","","","0.3462","0.3564","","","","","","1.167","","","","has coordinates","240122","2020-10-21","18:00:00",""
"4129408","5.7562","0.0012","10.199","0.002","19.546","0.004","90","","90","","90","","1147.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 F N O2 S -","- C12 H10 F N O2 S -","- C48 H40 F4 N4 O8 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0387","0.0387","","","0.0903","0.0903","","","","","","1.119","","","","has coordinates","240123","2020-10-21","18:00:00",""
"4129409","6.0153","0.0012","9.3357","0.0019","36.705","0.007","90","","93.69","0.03","90","","2057","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N O3 S -","- C24 H20 F N O3 S -","- C96 H80 F4 N4 O12 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0404","0.0369","","","0.1098","0.113","","","","","","1.109","","","","has coordinates","240124","2020-10-21","18:00:00",""
"4129410","6.7245","0.0002","8.541","0.0003","29.6456","0.0011","90","","90","","90","","1702.66","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N -","- C22 H24 N -","- C88 H96 N4 -","4","1","","Rong, Zi-Qiang; Zhang, Yao; Chua, Raymond Hong Bing; Pan, Hui-Jie; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols: From A Mixture of Four Isomers to Diastereo- and Enantiopure α-Branched Amines.","Journal of the American Chemical Society","2015","137","15","4944","4947","10.1021/jacs.5b02212","","","1.54178","CuKα","","0.0539","0.0523","","","0.1337","0.1419","","","","","","1.139","","","","has coordinates","240125","2020-10-21","18:00:00",""
"4129411","16.678","0.003","14.028","0.002","14.858","0.003","90","","99.007","0.01","90","","3433.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DCY1","","","- C36 H43 N3 Ni O7 S2 -","- C36 H43 N3 Ni O7 S2 -","- C144 H172 N12 Ni4 O28 S8 -","4","1","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","1.54178","CuKα","","0.0736","0.0657","","","0.1664","0.1762","","","","","","1.074","","","","has coordinates,has disorder","240126","2020-10-21","18:00:00",""
"4129412","8.6282","0.0002","15.1464","0.0004","16.6519","0.0005","90","","93.451","0.002","90","","2172.23","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","CYH3-57A","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","2","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","0.71073","MoKα","","0.0415","0.0324","","","0.08","0.0839","","","","","","1.034","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4129413","16.4389","0.0006","16.4389","0.0006","16.3399","0.0008","90","","90","","120","","3824.1","0.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C19 H45 Cl2 Eu N8 O -","- C19 H39 Cl2 Eu N8 O -","- C114 H234 Cl12 Eu6 N48 O6 -","6","1","","Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J.","Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.","Journal of the American Chemical Society","2015","137","15","4960","4963","10.1021/jacs.5b02506","","","0.71073","MoKα","","0.065","0.0543","","","0.1515","0.1601","","","","","","1.244","","","","has coordinates","240128","2020-10-21","18:00:00",""
"4129414","12.4202","0.001","18.5765","0.0015","8.408","0.0007","90","","90","","90","","1939.9","0.3","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Asano, Keisuke; Matsubara, Seijiro","Facile net cycloaddition approach to optically active 1,5-benzothiazepines.","Journal of the American Chemical Society","2015","137","16","5320","5323","10.1021/jacs.5b02537","","","0.71075","MoKα","","","0.0218","","","","0.0609","","","","","","1.077","","","","has coordinates","240129","2020-10-21","18:00:00",""
"4129415","14.8494","0.0006","9.7009","0.0004","14.1516","0.0006","90","","99.519","0.002","90","","2010.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","13118b","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0387","0.0371","","","0.0939","0.0951","","","","","","1.038","","","","has coordinates,has disorder","240130","2020-10-21","18:00:00",""
"4129416","17.2847","0.0013","10.7604","0.0008","11.6974","0.0009","90","","99.408","0.005","90","","2146.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13310b","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0449","0.0401","","","0.1085","0.1128","","","","","","1.017","","","","has coordinates","240131","2020-10-21","18:00:00",""
"4129417","14.1052","0.0004","9.7605","0.0003","28.102","0.0009","90","","90","","90","","3868.9","0.2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","13273b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0559","0.0484","","","0.1239","0.1299","","","","","","1.028","","","","has coordinates","240132","2020-10-21","18:00:00",""
"4129418","11.8924","0.0002","7.364","0.0001","35.0669","0.0006","90","","98.35","0.002","90","","3038.45","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C18 H17 N O S -","- C144 H136 N8 O8 S8 -","8","2","","Shi, Jiarong; Qiu, Dachuan; Wang, Juan; Xu, Hai; Li, Yang","Domino aryne precursor: efficient construction of 2,4-disubstituted benzothiazoles.","Journal of the American Chemical Society","2015","137","17","5670","5673","10.1021/jacs.5b02566","","","0.71073","MoKα","","0.0487","0.0381","","","0.0874","0.093","","","","","","1.046","","","","has coordinates","240133","2020-10-21","18:00:00",""
"4129419","19.484","0.004","20.669","0.004","25.822","0.005","73.27","0.03","85.71","0.03","72.57","0.03","9501","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C221 H174 F12 N4 O25 Ru4 S4 -","- C221 H169 F12 N4 O25 Ru4 S4 -","- C442 H338 F24 N8 O50 Ru8 S8 -","2","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1162","0.0937","","","0.2764","0.296","","","","","","1.164","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129420","29.291","0.006","38.789","0.008","28.633","0.006","90","","117.92","0.03","90","","28745","13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C286 H254 F24 N9 O51 Ru8 S8 -","- C286 H244 F24 N9 O51 Ru8 S8 -","- C1144 H976 F96 N36 O204 Ru32 S32 -","4","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1289","0.1065","","","0.3235","0.3426","","","","","","1.355","","","","has coordinates","240135","2020-10-21","18:00:00",""
"4129421","15.486","0.012","28.395","0.018","16.019","0.011","90","","115.902","0.014","90","","6336","8","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 B Cl F24 Mo N P3 -","- C58 H61 B Cl F24 Mo N P3 -","- C232 H244 B4 Cl4 F96 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.1085","","","","0.2343","","","","","","1.006","","","","has coordinates","240136","2020-10-21","18:00:00",""
"4129422","8.5644","0.0006","20.4505","0.0011","17.1479","0.0009","90","","93.8777","0.0016","90","","2996.5","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Cl Mo N P3 -","- C26 H49 Cl Mo N P3 -","- C104 H196 Cl4 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.0689","","","","0.1361","","","","","","1.013","","","","has coordinates","240137","2020-10-21","18:00:00",""
"4129423","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","A global and local desymmetrization approach to the synthesis of steroidal alkaloids: stereocontrolled total synthesis of paspaline.","Journal of the American Chemical Society","2015","137","15","4968","4971","10.1021/jacs.5b02631","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","240138","2020-10-21","18:00:00",""
"4129424","3.6839","0.0003","14.8496","0.0014","13.0315","0.0012","90","","91.346","0.001","90","","712.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Ni S2 -","- C18 H12 N2 Ni S2 -","- C36 H24 N4 Ni2 S4 -","2","0.5","","Liu, Guangfeng; Liu, Jie; Sun, Hao; Zheng, Xiaoxin; Liu, Yang; Li, Xiaomin; Qi, He; Bai, Xuedong; Jackson, Kenneth A.; Tao, Xutang","In situ imaging of on-surface, solvent-free molecular single-crystal growth.","Journal of the American Chemical Society","2015","137","15","4972","4975","10.1021/jacs.5b02637","","","0.71073","MoKα","","0.0236","0.022","","","0.0562","0.057","","","","","","0.993","","","","has coordinates","240139","2020-10-21","18:00:00",""
"4129425","33.591","0.002","13.3628","0.0008","14.0068","0.0008","90","","106.444","0.002","90","","6030.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ALM-VIII-19","","","- C31 H23 F10 N O5 Si -","- C31 H23 F10 N O5 Si -","- C248 H184 F80 N8 O40 Si8 -","8","1","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","1.54178","cukα","","0.0491","0.0466","","","0.1317","0.1342","","","","","","1.032","","","","has coordinates","240140","2020-10-21","18:00:00",""
"4129426","10.302","0.002","11.005","0.002","19.949","0.004","94.143","0.009","92.813","0.011","95.037","0.009","2243.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ALM-VI-33","","","- C18 H18 F9 N3 O4 S Si -","- C18 H18 F9 N3 O4 S Si -","- C72 H72 F36 N12 O16 S4 Si4 -","4","2","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","0.71073","mokα","","0.071","0.0555","","","0.1483","0.162","","","","","","1.09","","","","has coordinates","240141","2020-10-21","18:00:00",""
"4129427","9.97","0.007","12.46","0.009","36.86","0.03","82.668","0.01","87.451","0.009","73.233","0.009","4348","6","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H94 N14 O4 -","- C106 H94 N14 O4 -","- C212 H188 N28 O8 -","2","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0622","0.0433","","","0.0945","0.1044","","","","","","0.999","","","","has coordinates","240142","2020-10-21","18:00:00",""
"4129428","9.305","0.005","14.062","0.007","14.402","0.008","69.949","0.006","85.065","0.007","86.902","0.007","1763.1","1.6","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 N8 -","- C94 H70 N8 -","- C94 H70 N8 -","1","0.5","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0524","0.0412","","","0.0918","0.0987","","","","","","0.987","","","","has coordinates","240143","2020-10-21","18:00:00",""
"4129429","13.822","0.012","21.057","0.019","23.74","0.02","90","","95.313","0.012","90","","6880","10","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H66 Cl2 N12 -","- C85 H66 Cl2 N12 -","- C340 H264 Cl8 N48 -","4","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.1518","0.1068","","","0.3064","0.3369","","","","","","1.026","","","","has coordinates,has disorder","240144","2020-10-21","18:00:00",""
"4129430","13.2818","0.0008","5.4168","0.0003","17.4542","0.0009","90","","106.944","0.002","90","","1201.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 B2 Br2 O4 -","- C27 H21 B2 Br2 O4 -","- C54 H42 B4 Br4 O8 -","2","1","","Lu, Zhenpin; Hausmann, Heike; Becker, Sabine; Wegner, Hermann A.","Aromaticity as stabilizing element in the bidentate activation for the catalytic reduction of carbon dioxide.","Journal of the American Chemical Society","2015","137","16","5332","5335","10.1021/jacs.5b02905","","","0.71073","MoKα","","0.0519","0.044","","","0.1045","0.1089","","","","","","1.107","","","","has coordinates,has disorder","240145","2020-10-21","18:00:00",""
"4129431","10.7904","0.0002","10.7904","0.0002","26.1124","0.0005","90","","90","","120","","2633.01","0.09","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C126 H168 O12 -","6","1","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0268","0.0261","","","0.0679","0.0684","","","","","","1.044","","","","has coordinates","240146","2020-10-21","18:00:00",""
"4129432","17.6439","0.0005","5.9607","0.0002","18.9","0.0005","90","","110.686","0.0018","90","","1859.56","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","2","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0529","0.0449","","","0.1088","0.1126","","","","","","1.052","","","","has coordinates,has disorder","240147","2020-10-21","18:00:00",""
"4129433","10.468","0.002","28.029","0.006","14.653","0.003","90","","93.53","0.03","90","","4291.1","1.5","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Compound 2^.^ toluene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.0872","0.0583","","","0.1455","0.1673","","","","","","1.013","","","","has coordinates","240148","2020-10-21","18:00:00",""
"4129434","10.1396","0.0006","12.5178","0.0008","18.4844","0.0011","78.592","0.003","88.599","0.003","83.382","0.003","2284.5","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound3^.^2.5 carbon disulfide","","","- C79.5 H16 O2 S5 -","- C79.5 H16 O2 S5 -","- C159 H32 O4 S10 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.074","0.0672","","","0.2039","0.212","","","","","","1.037","","","","has coordinates","240149","2020-10-21","18:00:00",""
"4129435","10.506","0.0005","15.339","0.0007","15.3994","0.0007","89.815","0.003","72.809","0.003","87.714","0.003","2368.79","0.19","100","2","100","2","","","","","","","","2","P -1","-P 1","2","DPP-C70","","","- C94 H24 -","- C94 H24 -","- C188 H48 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","0.7749","synchrotron","","0.105","0.0666","","","0.1738","0.1955","","","","","","1.027","","","","has coordinates","240150","2020-10-21","18:00:00",""
"4129436","10.63","0.007","14.322","0.009","14.665","0.011","91.75","0.02","93.43","0.02","100.84","0.02","2187","3","254","2","254","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 B F20 P Si -","- C42 H42 B F20 P Si -","- C84 H84 B2 F40 P2 Si2 -","2","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0596","0.0446","","","0.1373","0.152","","","","","","1.052","","","","has coordinates","240151","2020-10-21","18:00:00",""
"4129437","11.1735","0.0005","24.0997","0.001","27.9588","0.0009","90","","90","","90","","7528.7","0.5","149","2","149","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C296 H232 Cl16 F48 N8 O32 P16 S16 -","8","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0941","0.0497","","","0.1111","0.1273","","","","","","1.032","","","","has coordinates","240152","2020-10-21","18:00:00",""
"4129438","15.2365","0.0019","8.3072","0.0007","16.1953","0.0016","90","","96.248","0.008","90","","2037.7","0.4","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H34 B F4 P -","- C19 H34 B F4 P -","- C76 H136 B4 F16 P4 -","4","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0338","0.03","","","0.0714","0.0736","","","","","","1.03","","","","has coordinates","240153","2020-10-21","18:00:00",""
"4129439","17.108","0.0011","14.0937","0.0008","16.0726","0.0011","90","","102.341","0.005","90","","3785.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Radical 4e","","- C41 H62 B F4 N2 O -","- C41 H62 B F4 N2 O -","- C164 H248 B4 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54178","CuKα","","0.1284","0.0744","","","0.1843","0.2194","","","","","","1.043","","","","has coordinates,has disorder","240154","2020-10-21","18:00:00",""
"4129440","8.8071","0.0004","24.8008","0.0012","11.5922","0.0005","90","","90.095","0.003","90","","2532","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4b","","- C27 H35 F7 N O -","- C27 H35 F7 N O -","- C108 H140 F28 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","0.71073","MoKα","","0.0779","0.0669","","","0.1821","0.1923","","","","","","1.031","","","","has coordinates","240155","2020-10-21","18:00:00",""
"4129441","21.875","0.004","8.1455","0.0013","18.299","0.003","90","","90","","90","","3260.6","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4d","","- C37 H43 F5 N O -","- C37 H43 F5 N O -","- C148 H172 F20 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","","0.71073","MoKα","","0.0702","0.0434","","","0.0802","0.0911","","","","","","1.011","","","","has coordinates","240156","2020-10-21","18:00:00",""
"4129442","12.3686","0.0005","10.8693","0.0005","31.829","0.0012","90","","100.487","0.003","90","","4207.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Iminium tetrafluoroborate 9","","- C42 H65 B Cl2 F4 N2 O -","- C42 H65 B Cl2 F4 N2 O -","- C168 H260 B4 Cl8 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54184","CuKα","","0.0948","0.0704","","","0.1942","0.2148","","","","","","1.052","","","","has coordinates,has disorder","240157","2020-10-21","18:00:00",""
"4129443","16.235","0.003","15.647","0.003","16.426","0.003","90","","98.735","0.003","90","","4124.3","1.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 B F4 N7 -","- C37 H66 B F4 N7 -","- C148 H264 B4 F16 N28 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","","","0.0847","0.0564","","","","0.1813","","","","","","1.1312","","","","has coordinates","240158","2020-10-21","18:00:00",""
"4129444","12.4197","0.0009","11.8959","0.0008","30.718","0.002","90","","91.8374","0.001","90","","4536.1","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B2 F8 N14 -","- C34 H68 B2 F8 N14 -","- C136 H272 B8 F32 N56 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0647","0.0544","","","0.1492","0.1579","","","","","","1.023","","","","has coordinates,has disorder","240159","2020-10-21","18:00:00",""
"4129445","10.006","0.006","19.052","0.012","22.705","0.013","88.313","0.011","87.571","0.008","77.915","0.007","4228","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H70 B F4 N9 P2 -","- C35 H70 B F4 N9 P2 -","- C140 H280 B4 F16 N36 P8 -","4","2","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.2102","0.1285","","","0.3451","0.3835","","","","","","1.013","","","","has coordinates","240160","2020-10-21","18:00:00",""
"4129446","11.61","0.002","13.349","0.003","14.323","0.003","94.896","0.003","91.124","0.003","114.606","0.003","2007.1","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H66 B F4 N7 -","- C35 H66 B F4 N7 -","- C70 H132 B2 F8 N14 -","2","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0818","0.0611","","","0.1678","0.1858","","","","","","1.048","","","","has coordinates","240161","2020-10-21","18:00:00",""
"4129447","12.4622","0.0019","14.832","0.002","19.373","0.003","90","","108.269","0.002","90","","3400.4","0.9","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 B F4 N6 P -","- C29 H58 B F4 N6 P -","- C116 H232 B4 F16 N24 P4 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0815","0.0687","","","0.1577","0.1668","","","","","","1.112","","","","has coordinates","240162","2020-10-21","18:00:00",""
"4129448","23.0752","0.0008","6.2109","0.0002","23.7697","0.0007","90","","107.145","0.002","90","","3255.24","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H61 F O Si -","- C32.9999 H60.9998 F O Si -","- C132 H243.999 F4 O4 Si4 -","4","2","","Sandford, Christopher; Rasappan, Ramesh; Aggarwal, Varinder K.","Synthesis of Enantioenriched Alkylfluorides by the Fluorination of Boronate Complexes.","Journal of the American Chemical Society","2015","137","32","10100","10103","10.1021/jacs.5b05848","","","0.71073","MoKα","","0.1266","0.0683","","","0.1315","0.1597","","","","","","1.01","","","","has coordinates,has disorder","240163","2020-10-21","18:00:00",""
"4129449","8.4839","0.0003","12.674","0.0005","15.0089","0.0006","99.1484","0.0017","90.5395","0.0017","106.952","0.0018","1521.41","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Al I2 N2 -","- C29 H41 Al I2 N2 -","- C58 H82 Al2 I4 N4 -","2","1","","Altman, Alison B.; Pemmaraju, C. D.; Camp, Clément; Arnold, John; Minasian, Stefan G.; Prendergast, David; Shuh, David K.; Tyliszczak, Tolek","Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes ‒ Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.","Journal of the American Chemical Society","2015","137","32","10304","10316","10.1021/jacs.5b05854","","","0.71073","mokα","","0.0151","0.0144","","","0.0343","0.0348","","","","","","0.924","","","","has coordinates","240164","2020-10-21","18:00:00",""
"4129450","5.053","0.002","10.02","0.005","17.645","0.009","90","","90.903","0.007","90","","893.3","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 S4 -","- C18 H14 O4 S4 -","- C36 H28 O8 S8 -","2","0.5","","Liu, Feng; Espejo, Guzmán L; Qiu, Shuhai; Oliva, María Moreno; Pina, João; Seixas de Melo, J Sérgio; Casado, Juan; Zhu, Xiaozhang","Multifaceted Regioregular Oligo(thieno[3,4-b]thiophene)s Enabled by Tunable Quinoidization and Reduced Energy Band Gap.","Journal of the American Chemical Society","2015","137","32","10357","10366","10.1021/jacs.5b05940","","","0.71073","MoKα","","0.1029","0.0959","","","0.268","0.2792","","","","","","1.232","","","","has coordinates,has disorder","240165","2020-10-21","18:00:00",""
"4129451","10.0579","0.0015","25.425","0.004","22.169","0.004","90","","90","","90","","5669.1","1.6","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H38 O3 -","- C35 H38 O3 -","- C280 H304 O24 -","8","2","","Koo, Bon Jun; Huynh, Michael; Halbach, Robert L.; Stubbe, JoAnne; Nocera, Daniel G.","Modulation of Phenol Oxidation in Cofacial Dyads.","Journal of the American Chemical Society","2015","137","37","11860","11863","10.1021/jacs.5b05955","","","0.71073","MoKα","","0.1323","0.0607","","","0.1235","0.15","","","","","","0.971","","","","has coordinates","240166","2020-10-21","18:00:00",""
"4129452","20.447","0.003","14.393","0.0019","10.9118","0.0014","90","","90","","90","","3211.3","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","holma05","","","- C36 H53 Co N2 O -","- C36 H53 Co N2 O -","- C144 H212 Co4 N8 O4 -","4","1","","Al-Afyouni, Malik H; Suturina, Elizaveta; Pathak, Shubhrodeep; Atanasov, Mihail; Bill, Eckhard; DeRosha, Daniel E.; Brennessel, William W.; Neese, Frank; Holland, Patrick L.","Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex.","Journal of the American Chemical Society","2015","137","33","10689","10699","10.1021/jacs.5b06078","","","0.71073","MoKα","","0.0524","0.0383","","","0.0897","0.096","","","","","","1.014","","","","has coordinates","240167","2020-10-21","18:00:00",""
"4129453","24.114","0.006","24.114","0.006","31.267","0.008","90","","90","","90","","18181","8","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C608 H624 Cl64 F192 N128 P32 Rh32 -","16","1","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0459","0.04","","","0.1073","0.112","","","","","","1.046","","","","has coordinates,has disorder","240168","2020-10-21","18:00:00",""
"4129454","10.6249","0.0018","24.156","0.004","28.702","0.005","90","","91.072","0.002","90","","7365","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 N4 Rh -","- C18 H17 Cl2 N4 Rh -","- C216 H204 Cl24 N48 Rh12 -","12","3","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0767","0.0572","","","0.1427","0.1498","","","","","","1.06","","","","has coordinates,has disorder","240169","2020-10-21","18:00:00",""
"4129455","27.044","0.004","37.9","0.006","12.5753","0.0018","90","","90","","90","","12889","3","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C384 H384 Cl32 F96 N64 O96 P16 Rh16 -","16","2","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0454","0.0397","","","0.1026","0.1059","","","","","","1.037","","","","has coordinates,has disorder","240170","2020-10-21","18:00:00",""
"4129456","10.563","0.012","13.746","0.015","10.995","0.012","90","","113.422","0.013","90","","1465","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Wang, Xuan; Wang, Shulin; Xue, Weichao; Gong, Hegui","Nickel-Catalyzed Reductive Coupling of Aryl Bromides with Tertiary Alkyl Halides.","Journal of the American Chemical Society","2015","137","36","11562","11565","10.1021/jacs.5b06255","","","0.71073","MoKα","","0.0444","0.0364","","","0.0812","0.0861","","","","","","1.032","","","","has coordinates","240171","2020-10-21","18:00:00",""
"4129457","6.7684","0.0001","12.2666","0.0002","16.8092","0.0004","90.621","0.002","90.875","0.002","101.44","0.002","1367.57","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C64 H96 O8 -","2","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","1.54184","CuKα","","0.0437","0.0409","","","0.11","0.1116","","","","","","1.055","","","","has coordinates","240172","2020-10-21","18:00:00",""
"4129458","15.2493","0.0006","7.6076","0.0003","20.7445","0.0008","90","","98.244","0.001","90","","2381.71","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 O3 -","- C29 H42 O3 -","- C116 H168 O12 -","4","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","0.71073","MoKα","","0.0482","0.0409","","","0.1029","0.107","","","","","","1.04","","","","has coordinates","240173","2020-10-21","18:00:00",""
"4129459","6.2235","0.0006","16.6092","0.0017","16.7213","0.0017","90","","90","","90","","1728.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O3 -","- C19 H15 Cl N2 O3 -","- C76 H60 Cl4 N8 O12 -","4","1","","Li, Jun; Huang, Rong; Xing, Yi-Kang; Qiu, Guofu; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic Asymmetric Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfurans with Azoalkenes: Direct Approach to Fused Butyrolactones.","Journal of the American Chemical Society","2015","137","32","10124","10127","10.1021/jacs.5b06509","","","0.71073","MoKα","","0.0424","0.0318","","","0.0632","0.0685","","","","","","1.017","","","","has coordinates","240174","2020-10-21","18:00:00",""
"4129460","17.5404","0.0007","17.5404","0.0007","29.3347","0.0008","90","","90","","90","","9025.3","0.6","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C278.4 H320 Br16 F44.8 I11.2 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1422","0.1213","","","0.3027","0.3226","","","","","","1.039","","","","has coordinates,has disorder","240175","2020-10-21","18:00:00",""
"4129461","12.402","0.0002","22.5922","0.0003","33.1865","0.0006","77.6713","0.0014","89.4968","0.0015","82.941","0.0014","9013.7","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C308 H484 Br16 Cl12 F32 I8 N16 O40 -","4","2","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.0624","0.0527","","","0.1364","0.1452","","","","","","1.025","","","","has coordinates,has disorder","240176","2020-10-21","18:00:00",""
"4129462","15.6129","0.0007","17.9004","0.0005","18.7393","0.0006","85.882","0.003","82.9","0.003","80.848","0.003","5123.6","0.3","123","0.02","123","0.02","","","","","","","","7","P -1","-P 1","2","","","","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","1","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","","1.54184","CuKα","","0.1166","0.097","","","0.2765","0.2961","","","","","","1.015","","","","has coordinates,has disorder","240177","2020-10-21","18:00:00",""
"4129463","18.2858","0.0013","18.2858","0.0013","29.8612","0.0009","90","","90","","90","","9984.7","1","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C76 H98 Br4 F8 I4 N4 O14 -","- C76 H98 Br4 F8 I4 N4 O14 -","- C304 H392 Br16 F32 I16 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.3203","0.2404","","","0.5631","0.6355","","","","","","1.602","","","","has coordinates,has disorder","240178","2020-10-21","18:00:00",""
"4129464","24.2579","0.0012","25.5595","0.0012","30.1104","0.0011","90","","90","","90","","18669","1.4","123","0.1","123","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C73.3 H112 Br4 F7.88 I2.4 N4 O14 -","- C73.2996 H111.999 Br4 F7.88 I2.4 N4 O13.9998 -","- C586.397 H895.994 Br32 F63.04 I19.2 N32 O111.998 -","8","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1662","0.1279","","","0.3136","0.3422","","","","","","1.102","","","","has coordinates,has disorder","240179","2020-10-21","18:00:00",""
"4129465","12.2852","0.0004","20.8278","0.0008","22.1139","0.001","63.822","0.004","88.73","0.003","74.389","0.003","4860","0.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C160 H252 Br8 F24 I6 N8 O23 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1187","0.0697","","","0.1641","0.2061","","","","","","1.03","","","","has coordinates,has disorder","240180","2020-10-21","18:00:00",""
"4129466","14.922","0.003","21.309","0.004","22.714","0.004","77.487","0.003","80.874","0.003","71.734","0.003","6663","2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neibs06","","","- C74.75 H101.66 Fe O0.25 P2 -","- C74.75 H101.66 Fe O0.25 P2 -","- C299 H406.64 Fe4 O P8 -","4","2","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.2742","0.088","","","0.1455","0.2103","","","","","","0.931","","","","has coordinates,has disorder","240181","2020-10-21","18:00:00",""
"4129467","31.239","0.007","14.82","0.004","15.184","0.004","90","","90","","90","","7030","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","neijk42","","","- C72 H103 Br Fe O P2 -","- C72 H103 Br Fe O P2 -","- C288 H412 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.1208","0.0624","","","0.1059","0.1258","","","","","","1.007","","","","has coordinates,has disorder","240182","2020-10-21","18:00:00",""
"4129468","18.1308","0.0009","19.2458","0.001","18.6533","0.001","90","","115.227","0.0006","90","","5888.1","0.5","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B Br N O5 S -","- C25 H31 B Br N O5 S -","- C200 H248 B8 Br8 N8 O40 S8 -","8","2","","Chong, Eugene; Blum, Suzanne A.","Aminoboration: Addition of B-N σ Bonds across C-C π Bonds.","Journal of the American Chemical Society","2015","137","32","10144","10147","10.1021/jacs.5b06678","","","0.71073","MoKα","","0.048","0.0344","","","0.0832","0.0882","","","","","","1.041","","","","has coordinates,has disorder","240183","2020-10-21","18:00:00",""
"4129469","4.9606","0.0002","13.7482","0.0005","26.0232","0.001","90","","93.286","0.0016","90","","1771.85","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C84 H68 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0401","0.033","","","0.0784","0.0849","","","","","","1.041","","","","has coordinates","240184","2020-10-21","18:00:00",""
"4129470","18.0569","0.0008","4.7287","0.0002","24.2655","0.0011","90","","97.157","0.002","90","","2055.78","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O S -","- C25 H19 N3 O S -","- C100 H76 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0372","0.033","","","0.0866","0.09","","","","","","1.032","","","","has coordinates","240185","2020-10-21","18:00:00",""
"4129471","16.4756","0.0018","18.589","0.002","13.4659","0.0015","90","","99.895","0.001","90","","4062.8","0.8","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C200 H152 N24 O16 -","8","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.041","0.0371","","","0.094","0.0975","","","","","","1.057","","","","has coordinates","240186","2020-10-21","18:00:00",""
"4129472","18.1452","0.0008","4.7127","0.0002","24.4115","0.0011","90","","96.521","0.001","90","","2073.99","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O Se -","- C25 H19 N3 O Se -","- C100 H76 N12 O4 Se4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0241","0.0237","","","0.0649","0.0653","","","","","","1.066","","","","has coordinates","240187","2020-10-21","18:00:00",""
"4129473","8.0089","0.0014","10.4457","0.0017","14.951","0.003","106.069","0.002","103.4","0.002","100.605","0.002","1127.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.0907","0.0781","","","0.1912","0.201","","","","","","1.118","","","","has coordinates,has disorder","240188","2020-10-21","18:00:00",""
"4129474","10.419","0.0007","21.2112","0.0014","11.856","0.0009","90","","95.93","0.002","90","","2606.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O2 P2 -","- C24 H48 Ni O2 P2 -","- C96 H192 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0482","0.0332","","","0.0768","0.0831","","","","","","1.022","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129475","11.1398","0.0008","16.7554","0.0012","15.4593","0.0011","90","","110.118","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Ni O2 P2 -","- C24 H52 Ni O2 P2 -","- C96 H208 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.047","0.0313","","","0.0687","0.0746","","","","","","1.019","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129476","16.124","0.003","8.7411","0.0016","19.627","0.004","90","","103.322","0.004","90","","2691.8","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 Ni O2 P2 -","- C25 H50 Ni O2 P2 -","- C100 H200 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0522","0.0332","","","0.0703","0.0768","","","","","","1.015","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129477","16.0749","0.0015","20.0552","0.0017","16.182","0.0013","90","","102.859","0.003","90","","5086","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O P2 -","- C24 H48 Ni O P2 -","- C192 H384 Ni8 O8 P16 -","8","2","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0683","0.045","","","0.0908","0.1017","","","","","","1.061","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129478","15.5113","0.0017","21.773","0.002","17.3548","0.0019","90","","90","","90","","5861.2","1.1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H46 D3 Ni O3 P2 -","- C28 H46 D3 Ni O3 P2 -","- C224 H368 D24 Ni8 O24 P16 -","8","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.1292","0.0827","","","0.1937","0.2166","","","","","","1.115","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129479","10.0831","0.0003","15.9696","0.0006","12.6575","0.0004","90","","107.508","0.002","90","","1943.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JES7-001-01","","","- C22 H26 F N O S -","- C22 H26 F N O S -","- C88 H104 F4 N4 O4 S4 -","4","1","","Spangler, Jillian E.; Kobayashi, Yoshihisa; Verma, Pritha; Wang, Dong-Hui; Yu, Jin-Quan","α-Arylation of Saturated Azacycles and N-Methylamines via Palladium(II)-Catalyzed C(sp(3))-H Coupling.","Journal of the American Chemical Society","2015","137","37","11876","11879","10.1021/jacs.5b06740","","","1.54178","CuKα","","0.0322","0.0301","","","0.0771","0.0786","","","","","","1.03","","","","has coordinates","240190","2020-10-21","18:00:00",""
"4129480","10.2208","0.0003","23.966","0.0009","11.4286","0.0004","90","","91.7114","0.0016","90","","2798.21","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56.33 H58.66 Co2 N8 O12 -","- C56.314 H58.628 Co2 N8 O12 -","- C112.628 H117.256 Co4 N16 O24 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0782","0.0741","","","0.1843","0.1867","","","","","","1.152","","","","has coordinates","240191","2020-10-21","18:00:00",""
"4129481","10.2416","0.0006","24.956","0.0015","11.4453","0.0007","90","","91.106","0.003","90","","2924.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.4 H50 Co2 N10.4 O16.8 -","- C60.436 H50.03 Co2 N10.406 O16.812 -","- C120.872 H100.06 Co4 N20.812 O33.624 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0862","0.084","","","0.2","0.2012","","","","","","1.014","","","","has coordinates,has disorder","240192","2020-10-21","18:00:00",""
"4129482","11.4463","0.0003","24.6528","0.0007","20.3256","0.0006","90","","92.6948","0.0013","90","","5729.2","0.3","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C113.82 H103.53 Co4 N16 O27.87 -","- C113.825 H103.533 Co4 N16 O27.869 -","- C227.65 H207.066 Co8 N32 O55.738 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0709","0.0579","","","0.1452","0.1529","","","","","","1.014","","","","has coordinates,has disorder","240193","2020-10-21","18:00:00",""
"4129483","10.2292","0.0003","24.7002","0.0007","11.4243","0.0003","90","","90.087","0.0016","90","","2886.5","0.14","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.18 H45.65 Co2 N9.53 O15.06 -","- C55.162 H45.635 Co2 N9.527 O15.054 -","- C110.324 H91.27 Co4 N19.054 O30.108 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0844","0.0751","","","0.1967","0.2036","","","","","","1.088","","","","has coordinates,has disorder","240194","2020-10-21","18:00:00",""
"4129484","11.4393","0.0002","24.6749","0.0005","20.3245","0.0004","90","","92.3471","0.0006","90","","5732.05","0.19","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115.49 H106.92 Cl1.18 Co4 N16 O26.88 -","- C115.494 H106.918 Cl1.178 Co4 N16 O26.88 -","- C230.988 H213.836 Cl2.356 Co8 N32 O53.76 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0526","0.0421","","","0.1026","0.1077","","","","","","1.02","","","","has coordinates,has disorder","240195","2020-10-21","18:00:00",""
"4129485","7.786","0.003","8.962","0.003","18.708","0.006","96.988","0.005","90.855","0.007","95.807","0.008","1288.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C60 H66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.71075","MoKα","","0.0591","0.0488","","","0.1357","0.1421","","","","","","1","","","","has coordinates","240196","2020-10-21","18:00:00",""
"4129486","8.141","0.009","13.181","0.016","15.7","0.019","108.57","0.012","97.796","0.017","95.061","0.017","1567","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N O3 Si -","- C35 H43 N O3.027 Si -","- C70 H86 N2 O6.054 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.7107","MoKα","","0.1783","0.1368","","","0.2756","0.3001","","","","","","1.229","","","","has coordinates,has disorder","240197","2020-10-21","18:00:00",""
"4129487","7.82","0.005","12.203","0.006","16.271","0.012","94.02","0.06","103.1","0.07","103.67","0.07","1456.9","1.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 N O3 Si -","- C33 N O3 Si -","- C66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","1.54187","CuKα","","0.1589","0.1457","","","0.4045","0.4279","","","","","","1.63","","","","has coordinates","240198","2020-10-21","18:00:00",""
"4129488","47.214","0.007","12.7204","0.0019","23.732","0.004","90","","102.646","0.002","90","","13907","4","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","holtd02","","","- C70 H111 Fe2 N4 Na O3 S -","- C69.996 H110.992 Fe2 N4 Na O2.999 S -","- C559.968 H887.936 Fe16 N32 Na8 O23.992 S8 -","8","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.0994","0.0588","","","0.1477","0.1695","","","","","","1.046","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129489","13.876","0.002","15.61","0.003","20.119","0.003","87.134","0.003","87.195","0.003","76.886","0.003","4235.7","1.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holna06","","","- C84 H139 Fe2 N6 Na O8 S -","- C84 H139 Fe2 N6 Na O8 S -","- C168 H278 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.1345","0.069","","","0.1471","0.173","","","","","","1.032","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129490","13.2765","0.0007","17.6732","0.001","19.26","0.0014","94.225","0.007","94.85","0.007","95.622","0.007","4466","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H141 Fe2 N6 Na O8 S -","- C93 H141 Fe2 N6 Na O8 S -","- C186 H282 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","1.54187","CuKα","","0.2229","0.0811","","","0.1174","0.1575","","","","","","0.89","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129491","12.7769","0.0003","13.07","0.0003","13.5779","0.001","104.326","0.007","110.612","0.008","94.734","0.007","2020","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","1","0.5","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71075","MoKα","","0.0999","0.0905","","","0.2281","0.2329","","","","","","1.151","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129492","9.2945","0.0002","10.7341","0.0003","20.5843","0.0005","81.128","0.002","85.617","0.002","85.953","0.002","2019.55","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H56 N P3 Ti -","- C45 H56 N P3 Ti -","- C90 H112 N2 P6 Ti2 -","2","1","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0923","0.052","","","0.1151","0.1332","","","","","","1.027","","","","has coordinates","240200","2020-10-21","18:00:00",""
"4129493","12.0451","0.0003","12.2244","0.0003","33.1063","0.0008","90.733","0.002","92.266","0.002","100.574","0.002","4787.2","0.2","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C46 H65 F3 N O3 P3 S Ti -","- C46 H65 F3 N O3 P3 S Ti -","- C184 H260 F12 N4 O12 P12 S4 Ti4 -","4","2","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0747","0.0591","","","0.1244","0.1299","","","","","","1.186","","","","has coordinates","240201","2020-10-21","18:00:00",""
"4129494","18.241","0.002","18.241","0.002","6.5002","0.0016","90","","90","","120","","1873.1","0.5","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H39 N9 O9 S3 -","- C33 H39 N9 O9 S3 -","- C66 H78 N18 O18 S6 -","2","0.333333","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0791","0.0601","","0.1737","0.1528","0.1737","","","","","","0.9566","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129495","13.8028","0.0005","15.1095","0.0005","15.4786","0.0005","70.541","0.003","66.375","0.003","88.032","0.003","2770.19","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N6 O7 -","- C31 H28 N6 O7 -","- C124 H112 N24 O28 -","4","2","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0426","0.0401","","0.1088","0.1068","0.1088","","","","","","0.9988","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129496","9.1843","0.0003","10.2725","0.0003","18.8705","0.0006","90","","90","","90","","1780.35","0.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","1.54178","CuKα","","0.0267","0.0261","","","0.07","0.0703","","","","","","1.09","","","","has coordinates","240203","2020-10-21","18:00:00",""
"4129497","16.054","0.009","10.101","0.006","25.826","0.014","90","","98.59","0.04","90","","4141","4","120","2","120","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C168 H208 N16 O40 S8 -","8","4","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.2727","0.1269","","","0.2874","0.3825","","","","","","0.98","","","","has coordinates","240204","2020-10-21","18:00:00",""
"4129498","9.0398","0.0005","9.0398","0.0005","39.273","0.0019","90","","90","","120","","2779.3","0.3","147","2","147","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H20 N O2 P -","- C23 H20 N O2 P -","- C138 H120 N6 O12 P6 -","6","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.0319","0.0302","","","0.0709","0.0716","","","","","","1.07","","","","has coordinates","240205","2020-10-21","18:00:00",""
"4129499","35.934","0.0008","35.934","0.0008","35.934","0.0008","90","","90","","90","","46399.9","1.8","250","","250","","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H48 Al3 Cl O16 -","- C75 H48 Al3 Cl1.0002 O16 -","- C600 H384 Al24 Cl8.0016 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2083","0.1494","","","0.4034","0.4365","","","","","","1.515","","","","has coordinates","240206","2020-10-21","18:00:00",""
"4129500","35.7316","0.0002","35.7316","0.0002","35.7316","0.0002","90","","90","","90","","45620.2","0.4","250","2","250","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H45 Al3 Cl O16 -","- C75 H45 Al3 Cl1.02 O16 -","- C600 H360 Al24 Cl8.16 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2242","0.1498","","","0.3979","0.4287","","","","","","1.251","","","","has coordinates","240208","2020-10-21","18:00:00",""
"4129501","33.2645","0.0019","20.7713","0.0009","32.7632","0.0019","90","","117.948","0.008","90","","19997","2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C624 H376 Ag96 Cl144 P8 Pt4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.1191","0.074","","","0.1856","0.219","","","","","","1.004","","","","has coordinates,has disorder","240209","2020-10-21","18:00:00",""
"4129502","33.2277","0.0011","20.7963","0.0005","32.7397","0.0011","90","","117.989","0.004","90","","19977.5","1.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C157 Ag24 Cl35.76 P2 Pd S18 -","- C157 Ag24 Cl35.756 P2 Pd S18 -","- C628 Ag96 Cl143.024 P8 Pd4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.0965","0.0672","","","0.179","0.2038","","","","","","1.053","","","","has coordinates,has disorder","240210","2020-10-21","18:00:00",""
"4129503","8.8603","0.0007","11.6145","0.0009","18.4379","0.0014","90","","90","","90","","1897.4","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-2-ethyl-1-((4-nitrophenyl)sulfonyl)piperidine","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C80 H96 N8 O16 S4 -","4","1","","Wanner, Benedikt; Kreituss, Imants; Gutierrez, Osvaldo; Kozlowski, Marisa C.; Bode, Jeffrey W.","Catalytic Kinetic Resolution of Disubstituted Piperidines by Enantioselective Acylation: Synthetic Utility and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","35","11491","11497","10.1021/jacs.5b07201","","x-ray","0.71073","MoKα","","0.0241","0.0232","","","0.0601","0.0607","","","","","","1.058","","","","has coordinates","240211","2020-10-21","18:00:00",""
"4129504","41.49","0.006","41.49","0.006","41.49","0.006","90","","90","","90","","71422","18","300","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Zr6O7.24(OH)0.89L4.31_(H2O)55","","","- C119.68001 O290.64267 S14.96 Zr20.84 -","- C119.68 O290.643 S14.96 Zr20.84 -","- C718.08 O1743.86 S89.76 Zr125.04 -","6","0.125","","Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi","The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","35","11498","11506","10.1021/jacs.5b07267","powder diffraction","","0.9998","synchrotron","","0.01788","","","","","","0.01787","0.03898","2.3864","","","","","","","has coordinates","240212","2020-10-21","18:00:00",""
"4129505","5.9305","0.0004","20.1095","0.0013","15.573","0.002","90","","90.69","0.01","90","","1857.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","2","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.1108","0.1017","","","0.2649","0.2814","","","","","","1.286","","","","has coordinates","240213","2020-10-21","18:00:00",""
"4129506","9.5712","0.001","16.0938","0.0019","15.5175","0.0015","90","","103.693","0.01","90","","2322.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C112 H116 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.0564","0.0542","","","0.1562","0.1579","","","","","","1.184","","","","has coordinates,has disorder","240214","2020-10-21","18:00:00",""
"4129507","11.5","0.003","14.485","0.004","14.038","0.004","90","","98.392","0.003","90","","2313.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C112 H124 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","0.71073","MoKα","","0.0731","0.053","","","0.1335","0.144","","","","","","1.039","","","","has coordinates","240215","2020-10-21","18:00:00",""
"4129508","17.9136","0.0012","20.5955","0.0014","26.4341","0.0019","76.679","0.002","72.463","0.002","83.139","0.002","9035.9","1.1","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C89.65 H66.3 Cl1.3 F9 Fe4 N13 O15 S3 -","- C89.6516 H66.3032 Cl1.3032 F9 Fe4 N13 O15 S3 -","- C358.606 H265.213 Cl5.2128 F36 Fe16 N52 O60 S12 -","4","2","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.1305","0.0941","","","0.2421","0.265","","","","","","1.061","","","","has coordinates,has disorder","240216","2020-10-21","18:00:00",""
"4129509","40.1338","0.001","17.6952","0.0004","25.3732","0.0006","90","","113.558","0.0013","90","","16517.6","0.7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 B F4 Fe4 N12 O6 -","- C92.004 H80.01 B F4 Fe4 N12 O6.001 -","- C736.032 H640.08 B8 F32 Fe32 N96 O48.008 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","1.54178","CuKα","","0.1068","0.075","","","0.1833","0.204","","","","","","1.03","","","","has coordinates,has disorder","240217","2020-10-21","18:00:00",""
"4129510","15.456","0.0007","15.4962","0.0007","19.2923","0.001","99.6189","0.0019","94.3724","0.0019","93.4051","0.0018","4530.2","0.4","100","2","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C90.1 H67.3 Cl1.78 F9 Fe4 N12 O13.55 S3 -","- C90.0986 H67.301 Cl1.782 F9 Fe4 N12 O13.5519 S3 -","- C180.197 H134.602 Cl3.564 F18 Fe8 N24 O27.1038 S6 -","2","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.112","0.074","","","0.1981","0.2232","","","","","","1.036","","","","has coordinates,has disorder","240218","2020-10-21","18:00:00",""
"4129511","24.4372","0.0011","30.6281","0.0015","24.9731","0.0012","90","","95.4328","0.0015","90","","18607.5","1.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96.69 H79.66 F6 Fe4 N14.87 O11.13 S2 -","- C96.27 H79.945 F6 Fe4 N14.865 O11.135 S2 -","- C770.16 H639.56 F48 Fe32 N118.92 O89.08 S16 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0851","0.0597","","","0.1584","0.174","","","","","","1.091","","","","has coordinates,has disorder","240219","2020-10-21","18:00:00",""
"4129512","23.0449","0.001","16.4976","0.0006","24.0586","0.001","90","","96.5282","0.0013","90","","9087.4","0.6","100","2","100.05","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C364 H296 Cl8 F24 Fe16 N52 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0872","0.0713","","","0.2041","0.2197","","","","","","1.048","","","","has coordinates,has disorder","240220","2020-10-21","18:00:00",""
"4129513","12.1605","0.0007","29.0785","0.0017","22.807","0.0013","90","","98.2302","0.0017","90","","7981.7","0.8","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 F3 Fe4 N13 O9.5 S -","- C91 H75 F3 Fe4 N13 O9.5 S -","- C364 H300 F12 Fe16 N52 O38 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0908","0.0506","","","0.0995","0.1136","","","","","","1.028","","","","has coordinates,has disorder","240221","2020-10-21","18:00:00",""
"4129514","9.0007","0.0004","13.9627","0.0007","27.112","0.0011","90","","90","","90","","3407.3","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Zhang, Jitan; Chen, Hui; Lin, Cong; Liu, Zhanxiang; Wang, Chen; Zhang, Yuhong","Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst.","Journal of the American Chemical Society","2015","137","40","12990","12996","10.1021/jacs.5b07424","","","0.71073","MoKα","","0.0449","0.0358","","","0.0816","0.0871","","","","","","1.046","","","","has coordinates","240222","2020-10-21","18:00:00",""
"4129515","7.4527","0.0005","10.5578","0.0007","12.2041","0.0008","105.426","0.003","107.762","0.005","90.024","0.004","878.06","0.11","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C30 H16 Cl4 Fe4 O14 -","2","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0558","0.0488","","0.1317","0.1247","0.1317","","","","","","0.9884","","","","has coordinates","240223","2020-10-21","18:00:00",""
"4129516","7.0359","0.0001","18.8613","0.0003","17.5169","0.0003","90","","91.7918","0.0008","90","","2323.46","0.06","200","","200","","","","","","","","local","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 Fe2 O7 Si -","- C19 H20 Cl2 Fe2 O7 Si -","- C76 H80 Cl8 Fe8 O28 Si4 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0303","0.0255","","0.062","0.0597","0.062","","","","","","1.0205","","","","has coordinates","240224","2020-10-21","18:00:00",""
"4129517","9.8528","0.0002","16.628","0.0002","12.4642","0.0002","90","","108.765","0.0008","90","","1933.5","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Fe2 O7 -","- C19 H14 Fe2 O7 -","- C76 H56 Fe8 O28 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0347","0.0264","","0.0649","0.0611","0.0649","","","","","","0.987","","","","has coordinates","240225","2020-10-21","18:00:00",""
"4129518","11.7552","0.0002","12.7186","0.0003","12.7193","0.0003","72.8865","0.001","88.6388","0.0013","84.898","0.0013","1810.25","0.07","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C60 H32 Cl8 Fe8 O28 -","4","2","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0631","0.0364","","0.0809","0.0701","0.0809","","","","","","0.9797","","","","has coordinates","240226","2020-10-21","18:00:00",""
"4129519","19.1564","0.0004","7.3931","0.0001","11.2579","0.0002","90","","90","","90","","1594.4","0.05","200","","200","","","","","","","","local","4","P b c n","-P 2n 2ab","60","","","","- C15 H8 Fe2 O7 -","- C15 H8 Fe2 O7 -","- C60 H32 Fe8 O28 -","4","0.5","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0337","0.0268","","0.0718","0.0679","0.0718","","","","","","1.0123","","","","has coordinates","240227","2020-10-21","18:00:00",""
"4129520","8.7038","0.0008","6.1582","0.0005","22.188","0.002","90","","95.781","0.002","90","","1183.22","0.18","173","","173.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C34 H24 O4 -","- C34 H24 O4 -","- C68 H48 O8 -","2","0.5","","Mohamed, Rana K.; Mondal, Sayantan; Jorner, Kjell; Delgado, Thais Faria; Lobodin, Vladislav V.; Ottosson, Henrik; Alabugin, Igor V.","The Missing C1-C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes.","Journal of the American Chemical Society","2015","137","49","15441","15450","10.1021/jacs.5b07448","","","0.71073","MoKα","","0.0651","0.0454","","","0.1089","0.12","","","","","","1.039","","","","has coordinates","240228","2020-10-21","18:00:00",""
"4129521","15.0474","0.0005","9.60545","0.00018","16.7082","0.0005","90","","112.614","0.004","90","","2229.28","0.13","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 F4 N2 Ni P2 -","- C17 H32 F4 N2 Ni P2 -","- C68 H128 F16 N8 Ni4 P8 -","4","1","","Smith, Dan A.; Beweries, Torsten; Blasius, Clemens; Jasim, Naseralla; Nazir, Ruqia; Nazir, Sadia; Robertson, Craig C.; Whitwood, Adrian C.; Hunter, Christopher A.; Brammer, Lee; Perutz, Robin N.","The Contrasting Character of Early and Late Transition Metal Fluorides as Hydrogen Bond Acceptors.","Journal of the American Chemical Society","2015","137","36","11820","11831","10.1021/jacs.5b07509","","","0.7107","MoKα","","0.0532","0.039","","","0.0889","0.096","","","","","","1.064","","","","has coordinates","240229","2020-10-21","18:00:00",""
"4129522","33.3092","0.0011","38.3322","0.0013","38.9657","0.0013","90","","90","","90","","49752","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C240.5 H259 Cl2 Cu25 P12 -","- C240.5 H181 Cl2 Cu25 P12 -","- C1924 H1448 Cl16 Cu200 P96 -","8","1","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.2142","0.1268","","","0.2956","0.3429","","","","","","1.104","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129523","28.6582","0.0014","17.426","0.001","38.0893","0.0019","90","","90.095","0.003","90","","19021.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H87.5 Cl4.5 Cu9 P5 -","- C92 H79 Cl4.5 Cu9 P5 -","- C736 H632 Cl36 Cu72 P40 -","8","2","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.3191","0.2856","","","0.5838","0.5988","","","","","","1.082","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129524","27.4515","0.0019","11.2982","0.001","37.173","0.003","90","","90.008","0.005","90","","11529.3","1.6","296","2","296","2","","","","","","","","8","P 1 2 1","P 2y","3","","","","- C300 H300 Co6 F6 N12 O48 Ru6 S6 -","- C164 Co2 F5 N8 O34 Ru8 S4 -","- C328 Co4 F10 N16 O68 Ru16 S8 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2832","0.234","","","0.5068","0.5298","","","","","","1.936","","","","has coordinates","240231","2020-10-21","18:00:00",""
"4129525","18.6286","0.0006","22.3857","0.0007","27.5313","0.0009","70.437","0.002","76.34","0.002","68.855","0.002","10002.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C332 Co4 F36 N16 O76 Ru16 S14 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2845","0.1692","","","0.3861","0.4275","","","","","","2.22","","","","has coordinates","240232","2020-10-21","18:00:00",""
"4129526","14.472","0.005","25.49","0.009","26.207","0.008","90","","93.01","0.02","90","","9654","6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 Co F12 N4 O23 Ru4 S4 -","- C79 Co F12 N4 O23 Ru4 S4 -","- C316 Co4 F48 N16 O92 Ru16 S16 -","4","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1817","0.1299","","","0.3245","0.3583","","","","","","2.441","","","","has coordinates","240233","2020-10-21","18:00:00",""
"4129527","17.65","0.002","12.8527","0.0013","19.949","0.002","90","","90","","90","","4525.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H21 Co N4 O -","- C30 H21 Co N4 O -","- C240 H168 Co8 N32 O8 -","8","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1125","0.049","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","240234","2020-10-21","18:00:00",""
"4129528","62.3023","0.0012","62.3023","0.0012","62.3023","0.0012","90","","90","","90","","241831","8","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C314 H583 Cu18 N104 O151 Zn23 -","- C90 H36 Cu18 N54 O71 Zn20 -","- C1440 H576 Cu288 N864 O1136 Zn320 -","16","0.0833333","","Tu, Binbin; Pang, Qingqing; Ning, Erlong; Yan, Wenqing; Qi, Yi; Wu, Doufeng; Li, Qiaowei","Heterogeneity within a Mesoporous Metal-Organic Framework with Three Distinct Metal-Containing Building Units.","Journal of the American Chemical Society","2015","137","42","13456","13459","10.1021/jacs.5b07687","","","1.54178","CuKα","","0.084","0.0721","","","0.2133","0.2191","","","","","","1.361","","","","has coordinates","240235","2020-10-21","18:00:00",""
"4129533","18.1364","0.001","8.9717","0.0005","17.6822","0.001","90","","109.442","0.0007","90","","2713.1","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DHMPE)2Ni-NCMe][BF4]2","","","- C14 H35 B2 F8 N Ni O8 P4 -","- C14 H35 B2 F8 N Ni O8 P4 -","- C56 H140 B8 F32 N4 Ni4 O32 P16 -","4","1","","Tsay, Charlene; Livesay, Brooke N.; Ruelas, Samantha; Yang, Jenny Y.","Solvation effects on transition metal hydricity.","Journal of the American Chemical Society","2015","137","44","14114","14121","10.1021/jacs.5b07777","","","0.71073","MoKα","","0.0332","0.0265","","","0.0638","0.0667","","","","","","1.053","","","","has coordinates,has disorder","240237","2020-10-21","18:00:00",""
"4129534","9.0075","0.001","10.3117","0.0012","10.8542","0.0012","76.877","0.005","71.402","0.005","65.744","0.005","865.77","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diBr res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-dibromo-1,3-benzenediol'","","- C18 H14 Br2 N2 O2 -","- C18 H14 Br2 N2 O2 -","- C36 H28 Br4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0427","0.0316","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129535","9.2179","0.001","10.6179","0.0012","11.037","0.0012","75.671","0.005","70.31","0.005","64.891","0.005","914.02","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diIodo res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-diiodo-1,3-benzenediol'","","- C18 H14 I2 N2 O2 -","- C18 H14 I2 N2 O2 -","- C36 H28 I4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0254","0.0221","","","0.0557","0.057","","","","","","1.082","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129536","14.2287","0.0005","15.1581","0.0006","21.3262","0.0009","80.378","0.0014","84.2804","0.0013","83.7729","0.0014","4492.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H100 Fe3 N24 O47 S12 -","- C36 H100 Fe3 N24 O47 S12 -","- C72 H200 Fe6 N48 O94 S24 -","2","1","","Gómez, Verónica; Sáenz de Pipaón, Cristina; Maldonado-Illescas, Pilar; Waerenborgh, João Carlos; Martin, Eddy; Benet-Buchholz, Jordi; Galán-Mascarós, José Ramón","Easy Excited-State Trapping and Record High TTIESST in a Spin-Crossover Polyanionic Fe(II) Trimer.","Journal of the American Chemical Society","2015","137","37","11924","11927","10.1021/jacs.5b07879","","","0.71073","MoKα","","0.1141","0.074","","","0.2217","0.2557","","","","","","1.047","","","","has coordinates,has disorder","240239","2020-10-21","18:00:00",""
"4129537","20.089","0.006","11.878","0.004","14.2","0.004","90","","90","","90","","3388.4","1.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N6 -","- C48 H30 N6 -","- C192 H120 N24 -","4","0.5","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0941","0.0606","","","0.1569","0.18","","","","","","1.07","","","","has coordinates","240240","2020-10-21","18:00:00",""
"4129538","8.5118","0.001","13.1893","0.0016","15.677","0.0018","85.352","0.002","75.468","0.002","83.375","0.002","1689.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H28 N6 -","- C44 H28 N6 -","- C88 H56 N12 -","2","1","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0871","0.0571","","","0.1486","0.169","","","","","","1.033","","","","has coordinates","240241","2020-10-21","18:00:00",""
"4129539","7.0623","0.0005","10.8007","0.0009","24.0268","0.0018","89.162","0.004","83.187","0.004","89.936","0.004","1819.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H13 B F4 O -","- C27 H13 B F4 O -","- C108 H52 B4 F16 O4 -","4","2","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.0969","0.0466","","","0.1015","0.1248","","","","","","1.022","","","","has coordinates","240242","2020-10-21","18:00:00",""
"4129540","8.0816","0.0007","10.1745","0.0008","11.9752","0.0009","67.764","0.007","71.133","0.008","71.903","0.008","842.32","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","240243","2020-10-21","18:00:00",""
"4129541","7.1692","0.0008","8.6347","0.0011","13.9776","0.0015","86.021","0.006","77.85","0.006","86.143","0.006","842.62","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.085","0.0668","","","0.1666","0.1816","","","","","","1.048","","","","has coordinates,has disorder","240244","2020-10-21","18:00:00",""
"4129542","13.161","0.004","22.787","0.006","13.182","0.004","90","","104.658","0.003","90","","3824.6","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Au Cl6 P2 Sb -","- C38 H32 Au Cl6 P2 Sb -","- C152 H128 Au4 Cl24 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0377","0.0309","","","0.08","0.0835","","","","","","1.027","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129543","17.827","0.004","13.292","0.003","17.854","0.004","90","","114.807","0.003","90","","3840.2","1.5","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl3 F6 O0 P2 Sb2 -","- C37 H30 Au Cl3 F6 P2 Sb2 -","- C148 H120 Au4 Cl12 F24 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.1494","0.0628","","","0.1293","0.1609","","","","","","0.97","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129544","14.386","0.008","12.541","0.007","19.062","0.01","90","","94.604","0.007","90","","3428","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Au Cl4 P2 Sb -","- C36 H28 Au Cl4 P2 Sb -","- C144 H112 Au4 Cl16 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0889","0.0546","","","0.1235","0.1388","","","","","","1.034","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129545","10.4745","0.0015","16.186","0.002","10.6057","0.0015","90","","117.492","0.001","90","","1595","0.4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Au Cl F3 P2 Sb -","- C36 H28 Au Cl F3 P2 Sb -","- C72 H56 Au2 Cl2 F6 P4 Sb2 -","2","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0491","0.0486","","","0.1178","0.1181","","","","","","1.045","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129546","16.8662","0.0017","14.36","0.0015","16.922","0.003","90","","117.189","0.001","90","","3645.6","0.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Au F9 P2 Sb2 -","- C36 H28 Au F9 P2 Sb2 -","- C144 H112 Au4 F36 P8 Sb8 -","4","0.5","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0255","0.0226","","","0.0606","0.062","","","","","","1.097","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129547","16.098","0.004","19.349","0.004","14.889","0.003","90","","113.994","0.002","90","","4236.9","1.6","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au Cl F9 O P2 Sb2 -","- C39.418 H39.254 Au Cl1.164 F9 O1.709 P2 Sb2 -","- C157.672 H157.016 Au4 Cl4.656 F36 O6.836 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0522","0.0326","","","0.0703","0.084","","","","","","1.072","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129548","5.7323","0.0012","7.92","0.002","12.149","0.002","90","","98.524","0.006","90","","545.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O2 -","- C11 H15 Br O2 -","- C22 H30 Br2 O4 -","2","1","","Liang, Tao; Zhang, Wandi; Chen, Te-Yu; Nguyen, Khoa D.; Krische, Michael J.","Ruthenium Catalyzed Diastereo- and Enantioselective Coupling of Propargyl Ethers with Alcohols: Siloxy-Crotylation via Hydride Shift Enabled Conversion of Alkynes to π-Allyls.","Journal of the American Chemical Society","2015","137","40","13066","13071","10.1021/jacs.5b08019","","","0.71073","MoKα","","0.0366","0.0271","","","0.0487","0.0506","","","","","","1.006","","","","has coordinates","240246","2020-10-21","18:00:00",""
"4129549","13.2727","0.0006","12.2599","0.0006","14.2024","0.0006","90","","90","","90","","2311.04","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H38 Cl N O10 -","- C18 H38 Cl N O10 -","- C72 H152 Cl4 N4 O40 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0675","0.0464","","","0.1023","0.1162","","","","","","1.027","","","","has coordinates","240247","2020-10-21","18:00:00",""
"4129550","13.381","0.003","12.051","0.002","14.234","0.003","90","","90","","90","","2295.3","0.8","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H38 B F4 N O6 -","- C18 H38 B F4 N O6 -","- C72 H152 B4 F16 N4 O24 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0909","0.0706","","","0.1778","0.1923","","","","","","1.058","","","","has coordinates","240248","2020-10-21","18:00:00",""
"4129551","12.7025","0.0006","8.6876","0.0004","13.802","0.0006","90","","114.514","0.001","90","","1385.82","0.11","147","2","147","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H54 Cl D P2 Pt -","- C24 H54 Cl D P2 Pt -","- C48 H108 Cl2 D2 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0175","0.0135","","","0.0304","0.0317","","","","","","1.072","","","","has coordinates","240249","2020-10-21","18:00:00",""
"4129552","8.4834","0.0012","13.6675","0.0019","11.9574","0.0016","90","","94.717","0.003","90","","1381.7","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 P2 Pt -","- C24 H56 P2 Pt -","- C48 H112 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0197","0.0136","","","0.0278","0.0302","","","","","","1.071","","","","has coordinates","240250","2020-10-21","18:00:00",""
"4129553","7.7672","","9.2673","","9.2845","","119.915","","95.254","","107.197","","529.812","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 Br2 I -","- C9 H9 Br3.51 -","- C18 H18 Br7.02 -","2","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","","0.0442","","","","0.056","","","","","","1.255","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129554","8.4062","","6.9907","","18.0839","","90","","103.591","","90","","1032.95","","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I2 -","- C9 H10 I2 -","- C36 H40 I8 -","4","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","0.0701","0.0593","","","0.1415","0.179","","","","","","1.129","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129555","5.5224","0.00009","7.5058","0.002","15.155","0.024","90","","90","","90","","628.2","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.18404","","1.22","","","","","","","has coordinates","240252","2020-10-21","18:00:00",""
"4129556","5.90617","0.00008","7.7074","0.0008","15.4587","0.0029","90","","90","","90","","703.7","0.15","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.15869","","1.27","","","","","","","has coordinates","240253","2020-10-21","18:00:00",""
"4129557","5.98941","0.00015","10.8833","0.0004","14.8019","0.0011","90","","90","","90","","964.86","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12209","","0.76","","","","","","","has coordinates","240254","2020-10-21","18:00:00",""
"4129558","6.40525","0.00033","11.3663","0.0006","15.5172","0.0016","90","","90","","90","","1129.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.08838","","0.97","","","","","","","has coordinates","240255","2020-10-21","18:00:00",""
"4129559","5.71784","0.00018","10.6889","0.0006","14.4886","0.0014","90","","90","","90","","885.51","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12976","","0.78","","","","","","","has coordinates","240256","2020-10-21","18:00:00",""
"4129560","5.82889","0.00018","10.7665","0.0005","14.6183","0.0014","90","","90","","90","","917.4","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12764","","0.85","","","","","","","has coordinates","240257","2020-10-21","18:00:00",""
"4129561","6.20057","0.00007","7.8636","0.0005","15.7606","0.002","90","","90","","90","","768.47","0.11","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13293","","0.93","","","","","","","has coordinates","240258","2020-10-21","18:00:00",""
"4129562","5.74052","0.00005","7.6003","0.0007","15.2757","0.0025","90","","90","","90","","666.47","0.13","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13894","","0.78","","","","","","","has coordinates","240259","2020-10-21","18:00:00",""
"4129563","5.79339","0.00007","7.6413","0.0006","15.345","0.004","90","","90","","90","","679.31","0.19","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.1976","","0.89","","","","","","","has coordinates","240260","2020-10-21","18:00:00",""
"4129564","5.6811","0.0015","7.5876","0.0021","15.249","0.009","90","","90","","90","","657.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.2139","","1.02","","","","","","","has coordinates","240261","2020-10-21","18:00:00",""
"4129565","6.02602","0.00007","7.7738","0.0004","15.5993","0.0019","90","","90","","90","","730.75","0.1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.112","","0.74","","","","","","","has coordinates","240262","2020-10-21","18:00:00",""
"4129566","23.723","","9.233","","15.182","","90","","90","","90","","3325.38","","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.1154","0.0753","","","0.2037","0.2558","","","","","","1.053","","","","has coordinates","240263","2020-10-21","18:00:00",""
"4129567","4.8152","0.0005","13.5941","0.0015","14.9103","0.0015","106.19","0.006","95.651","0.006","94.036","0.006","927.84","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0984","0.0825","","","0.2635","0.2843","","","","","","1.089","","","","has coordinates","240264","2020-10-21","18:00:00",""
"4129568","4.8045","0.0002","25.7786","0.001","9.8034","0.0004","90","","95.38","0.002","90","","1208.83","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0526","0.0404","","","0.1191","0.134","","","","","","1.051","","","","has coordinates","240265","2020-10-21","18:00:00",""
"4129569","7.361","0.005","17.49","0.011","6.466","0.004","90","","90","","90","","832.5","0.9","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 Mn N -","- C4 H8 Cl3 Mn N -","- C16 H32 Cl12 Mn4 N4 -","4","0.5","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0521","","","","","","1.07","","","","has coordinates","240266","2020-10-21","18:00:00",""
"4129570","7.47","0.005","17.642","0.003","6.515","0.002","90","","90","","90","","858.6","0.6","413","2","413","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 Mn N -","- C4 H7 Cl3 Mn N -","- C16 H28 Cl12 Mn4 N4 -","4","0.25","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0364","0.0301","","","0.0801","0.0828","","","","","","1.111","","","","has coordinates","240267","2020-10-21","18:00:00",""
"4129571","7.437","0.0006","9.6628","0.0008","11.6887","0.001","90","","96.907","0.001","90","","833.88","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Br Cl2 Fe O2 -","- C16 H17 Br Cl2 Fe O2 -","- C32 H34 Br2 Cl4 Fe2 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0196","0.0187","","","0.0478","0.048","","","","","","1.032","","","","has coordinates","240268","2020-10-21","18:00:00",""
"4129572","15.2839","0.0006","9.8799","0.0004","15.4258","0.0006","90","","101.082","0.002","90","","2285.91","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Br2 Cl3 Fe O2 -","- C21 H25 Br2 Cl3 Fe O2 -","- C84 H100 Br8 Cl12 Fe4 O8 -","4","2","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0727","0.0533","","","0.1103","0.1175","","","","","","1.051","","","","has coordinates,has disorder","240269","2020-10-21","18:00:00",""
"4129573","9.6424","0.001","7.2529","0.0007","10.6701","0.001","90","","106.601","0.003","90","","715.11","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Br2 Cl2 O2 -","- C9 H16 Br2 Cl2 O2 -","- C18 H32 Br4 Cl4 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0398","0.0356","","","0.0948","0.0968","","","","","","1.08","","","","has coordinates","240270","2020-10-21","18:00:00",""
"4129574","42.7645","0.0013","42.7645","0.0013","16.7556","0.0005","90","","90","","120","","26537.3","1.4","250","2","249.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C288 H168 Cl6 Fe12 Hf18 N24 O96 -","3","0.125","","Beyzavi, M. Hassan; Vermeulen, Nicolaas A.; Howarth, Ashlee J.; Tussupbayev, Samat; League, Aaron B.; Schweitzer, Neil M.; Gallagher, James R.; Platero-Prats, Ana E; Hafezi, Nema; Sarjeant, Amy A.; Miller, Jeffrey T.; Chapman, Karena W.; Stoddart, J. Fraser; Cramer, Christopher J.; Hupp, Joseph T.; Farha, Omar K.","A Hafnium-Based Metal-Organic Framework as a Nature-Inspired Tandem Reaction Catalyst.","Journal of the American Chemical Society","2015","137","42","13624","13631","10.1021/jacs.5b08440","","","1.54178","CuKα","","0.0555","0.0433","","","0.1228","0.128","","","","","","0.962","","","","has coordinates,has disorder","240271","2020-10-21","18:00:00",""
"4129575","9.7265","0.0002","10.4299","0.0002","13.3343","0.0009","86.764","0.006","83.136","0.006","89.251","0.006","1340.85","0.1","358","2","358","2","","","","","","","","5","P -1","-P 1","2","Ni(Itol)(MMA)2","","","- C27 H32 N2 Ni O4 -","- C27 H32 N2 Ni O4 -","- C54 H64 N4 Ni2 O8 -","2","1","","Todd, David P.; Thompson, Benjamin B.; Nett, Alex J.; Montgomery, John","Deoxygenative C-C Bond-Forming Processes via a Net Four-Electron Reductive Coupling.","Journal of the American Chemical Society","2015","137","40","12788","12791","10.1021/jacs.5b08448","","","1.54178","CuKα","","0.0583","0.0534","","","0.1584","0.166","","","","","","1.165","","","","has coordinates","240272","2020-10-21","18:00:00",""
"4129576","25.185","0.003","13.6537","0.0015","27.621","0.003","90","","117.102","0.002","90","","8455.1","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9.67 -","- C81 H138 N10 O9.6666 -","- C324 H552 N40 O38.6664 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0864","0.0553","","","0.1495","0.1726","","","","","","1.016","","","","has coordinates,has disorder","240273","2020-10-21","18:00:00",""
"4129577","25.0676","0.0009","13.6347","0.0005","27.5542","0.0014","90","","116.715","0.0008","90","","8412.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9 -","- C81 H138 N10 O9 -","- C324 H552 N40 O36 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0748","0.0584","","","0.1635","0.1819","","","","","","1.027","","","","has coordinates,has disorder","240274","2020-10-21","18:00:00",""
"4129578","10.5541","0.0006","10.8702","0.0006","21.4812","0.001","88.2639","0.0019","84.3786","0.0018","73.4287","0.0019","2350.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H53 B F4 N O2 P2 Rh -","- C56 H53 B F4 N O2 P2 Rh -","- C112 H106 B2 F8 N2 O4 P4 Rh2 -","2","1","","Ensign, Seth C.; Vanable, Evan P.; Kortman, Gregory D.; Weir, Lee J.; Hull, Kami L.","Anti-Markovnikov Hydroamination of Homoallylic Amines.","Journal of the American Chemical Society","2015","137","43","13748","13751","10.1021/jacs.5b08500","","x-ray","0.71073","MoKα","","0.0261","0.0233","","","0.0599","0.061","","","","","","1.075","","","","has coordinates,has disorder","240275","2020-10-21","18:00:00",""
"4129579","8.0242","0.0006","15.8775","0.0011","17.8568","0.0013","90","","90","","90","","2275","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O7 -","- C22 H23 N3 O7 -","- C88 H92 N12 O28 -","4","1","","Pous, Jonathan; Courant, Thibaut; Bernadat, Guillaume; Iorga, Bogdan I.; Blanchard, Florent; Masson, Géraldine","Regio-, Diastereo-, and Enantioselective Nitroso-Diels-Alder Reaction of 1,3-Diene-1-carbamates Catalyzed by Chiral Phosphoric Acids.","Journal of the American Chemical Society","2015","137","37","11950","11953","10.1021/jacs.5b08515","","","1.54187","CuKα","","0.1163","0.0597","","","0.1342","0.1824","","","","","","1.046","","","","has coordinates","240276","2020-10-21","18:00:00",""
"4129580","6.1072","0.0001","13.8815","0.0003","21.5452","0.0015","90","","90","","90","","1826.54","0.14","85","2","85","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0279","0.0278","","","0.0702","0.0702","","","","","","1.079","","","","has coordinates","240277","2020-10-21","18:00:00",""
"4129581","9.4116","0.0002","10.1451","0.0002","10.385","0.0007","87.94","0.006","66.878","0.005","82.795","0.006","904.63","0.08","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0331","0.0329","","","0.0862","0.0864","","","","","","0.962","","","","has coordinates,has disorder","240278","2020-10-21","18:00:00",""
"4129582","13.2747","0.0002","10.5692","0.0002","26.994","0.0019","90","","90","","90","","3787.3","0.3","85","2","85","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0357","0.0344","","","0.0838","0.0846","","","","","","1.065","","","","has coordinates","240279","2020-10-21","18:00:00",""
"4129583","8.1977","0.0019","12.821","0.003","17.153","0.004","90","","90","","90","","1802.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0565","0.0382","","","0.0617","0.0678","","","","","","1","","","","has coordinates","240280","2020-10-21","18:00:00",""
"4129584","7.4116","0.0002","8.4114","0.0003","14.1853","0.0004","90","","98.761","0.003","90","","874.02","0.05","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","1.54184","CuKα","","0.0366","0.036","","","0.1003","0.1008","","","","","","1.078","","","","has coordinates","240281","2020-10-21","18:00:00",""
"4129585","8.6632","0.001","7.4512","0.0008","16.987","0.002","90","","91.269","0.01","90","","1096.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0825","0.0718","","","0.1587","0.1702","","","","","","1.048","","","","has coordinates","240282","2020-10-21","18:00:00",""
"4129586","8.4818","0.001","6.7611","0.0008","14.9995","0.0017","90","","105.173","0.002","90","","830.18","0.17","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Peng, Chia-Yu; Shen, Jiun-Yi; Chen, Yi-Ting; Wu, Pei-Jhen; Hung, Wen-Yi; Hu, Wei-Ping; Chou, Pi-Tai","Optically Triggered Stepwise Double-Proton Transfer in an Intramolecular Proton Relay: A Case Study of 1,8-Dihydroxy-2-naphthaldehyde.","Journal of the American Chemical Society","2015","137","45","14349","14357","10.1021/jacs.5b08562","","","0.71073","MoKα","","0.0667","0.0504","","","0.1429","0.1575","","","","","","1.057","","","","has coordinates","240283","2020-10-21","18:00:00",""
"4129587","10.2036","0.0004","25.8627","0.001","10.8916","0.0004","90","","101.098","0.0005","90","","2820.46","0.19","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 N2 Y -","- C29 H49 N2 Y -","- C116 H196 N8 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0348","0.026","","","0.0598","0.063","","","","","","1.041","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129588","8.5822","0.0008","14.0989","0.0013","17.4406","0.0017","90","","101.906","0.0013","90","","2064.9","0.3","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Y -","- C22 H35 Y -","- C88 H140 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0685","0.0375","","","0.0753","0.0851","","","","","","1.017","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129589","9.5104","0.001","10.7672","0.0012","12.0235","0.0013","73.4204","0.0013","80.374","0.0013","69.1578","0.0012","1099.8","0.2","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 O2 Y -","- C23 H35 O2 Y -","- C46 H70 O4 Y2 -","2","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0572","0.0507","","","0.1272","0.1316","","","","","","1.023","","","","has coordinates,has disorder","240284","2020-10-21","18:00:00",""
"4129590","37.641","0.003","37.641","0.003","9.2606","0.0009","90","","90","","90","","13121","2","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","holak11","","","- C36 H49 Co N2 -","- C36 H49 Co N2 -","- C576 H784 Co16 N32 -","16","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1038","0.0582","","","0.1205","0.1368","","","","","","0.996","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129591","13.2587","0.0002","12.2469","0.0002","15.3894","0.0011","90","","109.993","0.008","90","","2348.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 Co2 N4 -","- C50 H66 Cl2 Co2 N4 -","- C100 H132 Cl4 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0245","0.0239","","","0.0631","0.0635","","","","","","1.059","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129592","13.021","0.004","11.662","0.004","14.06","0.005","90","","92.952","0.005","90","","2132.2","1.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holcc07","","","- C50 H66 Co2 N4 -","- C50 H66 Co2 N4 -","- C100 H132 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1018","0.0655","","","0.1391","0.1558","","","","","","1.106","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129593","8.562","0.0016","14.607","0.003","24.304","0.005","90","","92.187","0.004","90","","3037.4","1","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holcc06","","","- C29 H43 Cl2 Co Li N2 O2 -","- C22.248 H27.808 Cl2 Co Li N2 O0.312 -","- C88.992 H111.232 Cl8 Co4 Li4 N8 O1.248 -","4","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.094","0.0509","","","0.1104","0.1263","","","","","","1.035","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129594","16.0692","0.0004","16.4154","0.0009","8.581","0.0007","90","","90","","90","","2263.5","0.2","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H31 Co N2 -","- C27 H31 Co N2 -","- C108 H124 Co4 N8 -","4","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0324","0.029","","","0.0635","0.065","","","","","","1.089","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129595","10.6497","0.0004","20.1624","0.0007","22.5333","0.0008","90","","91.188","0.003","90","","4837.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H32 F12 I2 N Ni O P -","- C53 H32 F12 I2 N Ni O P -","- C212 H128 F48 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0427","0.0322","","","0.075","0.0786","","","","","","1.01","","","","has coordinates","240286","2020-10-21","18:00:00",""
"4129596","12.4223","0.0006","12.8711","0.0007","14.3954","0.0007","109.099","0.004","93.475","0.004","96.173","0.004","2151.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 N2 Ni2 O4 -","- C46 H62 N2 Ni2 O4 -","- C92 H124 N4 Ni4 O8 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0359","0.0264","","","0.0659","0.0679","","","","","","1.011","","","","has coordinates","240287","2020-10-21","18:00:00",""
"4129597","12.797","0.0006","17.3364","0.0008","17.6536","0.001","90","","90","","90","","3916.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 N Ni O P -","- C47 H50 N Ni O P -","- C188 H200 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0546","0.0408","","","0.074","0.0774","","","","","","0.989","","","","has coordinates","240288","2020-10-21","18:00:00",""
"4129598","10.872","0.0008","12.2931","0.0008","16.0585","0.0011","90.736","0.005","102.802","0.006","97.912","0.005","2070.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N2 Ni O2 -","- C46 H60 N2 Ni O2 -","- C92 H120 N4 Ni2 O4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0891","0.05","","","0.0995","0.1102","","","","","","0.942","","","","has coordinates","240289","2020-10-21","18:00:00",""
"4129599","11.7972","0.0004","28.2682","0.0008","13.0939","0.0004","90","","99.384","0.003","90","","4308.2","0.2","100","2","100.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H40 I2 N Ni O P -","- C43 H40 I2 N Ni O P -","- C172 H160 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0281","0.0237","","","0.0529","0.0543","","","","","","1.036","","","","has coordinates","240290","2020-10-21","18:00:00",""
"4129600","11.3507","0.0006","12.0474","0.0007","21.6176","0.0012","103.295","0.004","94.649","0.004","113.469","0.004","2589.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 N Ni O P2 -","- C59 H60 N Ni O P2 -","- C118 H120 N2 Ni2 O2 P4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.077","0.0426","","","0.073","0.0789","","","","","","0.901","","","","has coordinates","240292","2020-10-21","18:00:00",""
"4129601","14.0907","0.0006","14.3187","0.0006","17.7215","0.0007","70.75","0.003","84.112","0.002","70.85","0.002","3188.7","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F24 N14 P4 -","- C56 H54 F24 N14 P4 -","- C112 H108 F48 N28 P8 -","2","1","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.1086","0.0925","","","0.2484","0.2608","","","","","","1.057","","","","has coordinates,has disorder","240293","2020-10-21","18:00:00",""
"4129602","8.8489","0.0007","14.241","0.0011","18.2764","0.0014","89.642","0.004","87.887","0.004","78.405","0.004","2254.6","0.3","100","2","100.06","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","1","0.5","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","0.71073","MoKα","","0.0703","0.0608","","","0.1721","0.1781","","","","","","1.106","","","","has coordinates,has disorder","240294","2020-10-21","18:00:00",""
"4129603","26.65","0.002","26.65","0.002","9.8528","0.0009","90","","90","","90","","6997.7","1","100","2","99.99","","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H58 F24 Fe N8 P4 -","- C54 H58 F24 Fe N8 P4 -","- C216 H232 F96 Fe4 N32 P16 -","4","0.25","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.117","0.101","","","0.2405","0.248","","","","","","1.053","","","","has coordinates,has disorder","240295","2020-10-21","18:00:00",""
"4129604","8.8931","0.0017","22.261","0.004","7.8277","0.0014","90","","90","","90","","1549.6","0.5","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(3R,3aS,6R,7S,7aS)-Phenyl-3,7-dibromo-2-oxohexahydro -3,6-methanofuro[3,2-b]pyridine-4(2H)-carboxylate","","","- C15 H13 Br2 N O4 -","- C15 H13 Br2 N O4 -","- C60 H52 Br8 N4 O16 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0364","0.0285","","","0.0506","0.052","","","","","","0.91","","","","has coordinates","240296","2020-10-21","18:00:00",""
"4129605","6.365","0.002","12.061","0.004","12.52","0.004","90","","90","","90","","961.1","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S,3aS,5R,6R,6aR)-6-Bromo-3-(trifluoromethyl)hexahydro -2H-3,5-methanocyclopenta[b]furan-2-one","","","- C9 H8 Br F3 O2 -","- C9 H8 Br F3 O2 -","- C36 H32 Br4 F12 O8 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0192","0.0173","","","0.036","0.0362","","","","","","0.862","","","","has coordinates","240297","2020-10-21","18:00:00",""
"4129606","9.3002","0.001","5.7332","0.0006","37.635","0.004","90","","96.688","0.007","90","","1993","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F3 O4 -","- C22 H21 F3 O4 -","- C88 H84 F12 O16 -","4","2","","Wu, Xiang; Lin, Hua-Chen; Li, Ming-Li; Li, Lu-Lu; Han, Zhi-Yong; Gong, Liu-Zhu","Enantioselective 1,2-Difunctionalization of Dienes Enabled by Chiral Palladium Complex-Catalyzed Cascade Arylation/Allylic Alkylation Reaction.","Journal of the American Chemical Society","2015","137","42","13476","13479","10.1021/jacs.5b08734","","","1.54178","CuKα","","0.0761","0.0705","","","0.1933","0.1982","","","","","","1.063","","","","has coordinates","240298","2020-10-21","18:00:00",""
"4129607","16.7165","0.0016","9.0824","0.0008","29.495","0.003","90","","101.756","0.007","90","","4384.2","0.7","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C47 H46.5 N5.5 O6 -","- C47 H46.5 N5.5 O6 -","- C188 H186 N22 O24 -","4","1","","Tresca, Blakely W.; Hansen, Ryan J.; Chau, Calvin V.; Hay, Benjamin P.; Zakharov, Lev N.; Haley, Michael M.; Johnson, Darren W.","Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions.","Journal of the American Chemical Society","2015","137","47","14959","14967","10.1021/jacs.5b08767","","","1.54178","CuKα","","0.127","0.1023","","","0.284","0.3018","","","","","","1.083","","","","has coordinates","240299","2020-10-21","18:00:00",""
"4129608","9.6545","0.0014","16.056","0.002","18.637","0.003","90","","93.342","0.002","90","","2884.1","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C72 H112 F24 N16 O36 Pd4 Rh4 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0736","0.045","","","0.0866","0.0983","","","","","","0.95","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129609","15.226","0.002","16.217","0.002","16.576","0.003","70.478","0.002","70.163","0.002","82.134","0.002","3627.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H114 F24 Ir4 N20 O38 Pd4 S8 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1075","0.0576","","","0.1591","0.186","","","","","","0.946","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129610","15.1375","0.0017","16.3127","0.0018","16.5691","0.0018","70.251","0.002","70.323","0.002","81.884","0.002","3624.2","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H146 F24 N20 O44 Pd4 Rh4 S8 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0937","0.0641","","","0.1958","0.2173","","","","","","1.048","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129611","16.111","0.002","16.673","0.002","16.744","0.002","61.135","0.002","63.658","0.002","73.515","0.002","3516","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H136 F24 Ir4 N20 O42 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1164","0.0626","","","0.1673","0.2014","","","","","","0.964","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129612","25.934","0.003","19.55","0.002","37.42","0.004","90","","107.799","0.002","90","","18064","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H184 F24 Ir8 N16 O40 S8 -","- C138.5 H156 F19.5 Ir8 N16 O28.5 S6.5 -","- C554 H624 F78 Ir32 N64 O114 S26 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1325","0.0907","","","0.2405","0.2673","","","","","","1.051","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129613","17.305","0.003","22.004","0.004","26.541","0.004","81.648","0.003","83.117","0.003","67.148","0.002","9192","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H202 F24 N16 O45 Rh8 S8 -","- C141 H156 F21 N16 O32 Rh8 S7 -","- C282 H312 F42 N32 O64 Rh16 S14 -","2","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1136","0.0865","","","0.2575","0.2796","","","","","","1.076","","","","has coordinates","240301","2020-10-21","18:00:00",""
"4129614","41.671","0.004","17.4453","0.0018","27.235","0.003","90","","90","","90","","19799","4","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C158 H198 Cl12 F24 N16 O35 Rh8 S8 -","- C145 H166 Cl10 F24 N16 O32 Rh8 S8 -","- C580 H664 Cl40 F96 N64 O128 Rh32 S32 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1016","0.0659","","","0.1529","0.1684","","","","","","0.995","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129615","13.862","0.002","17.169","0.003","20.376","0.005","98.627","0.003","99.679","0.004","113.369","0.002","4260.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H156 F24 N16 O32 Rh8 S8 -","- C134 H156 F6 N16 O14 Rh8 S2 -","- C134 H156 F6 N16 O14 Rh8 S2 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1856","0.1083","","","0.2912","0.3388","","","","","","0.936","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129616","43.67","0.004","17.2609","0.0017","25.04","0.003","90","","95.648","0.002","90","","18783","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H192 F24 N16 O38 Rh8 S8 -","- C147 H164 F18 N16 O28 Rh8 S6 -","- C588 H656 F72 N64 O112 Rh32 S24 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1068","0.073","","","0.203","0.2211","","","","","","1.054","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129617","28.391","0.004","12.7043","0.0017","37.273","0.005","90","","90","","90","","13444","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C53 H74 Cl4 F6 Ir4 N4 O11 S2 -","- C49 H64 Cl4 F6 Ir4 N4 O10 S2 -","- C392 H512 Cl32 F48 Ir32 N32 O80 S16 -","8","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0841","0.069","","","0.1351","0.1399","","","","","","1.181","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129618","25.419","0.003","15.7157","0.0017","35.284","0.004","90","","110.716","0.002","90","","13184","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C108 H150 Cl4 F12 Ir8 N12 O26 S4 -","- C104 H130 Cl4 F6 Ir8 N12 O18 S2 -","- C416 H520 Cl16 F24 Ir32 N48 O72 S8 -","4","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1394","0.0891","","","0.2492","0.2789","","","","","","1.039","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129619","37.603","0.005","21.407","0.003","38.008","0.005","90","","106.131","0.002","90","","29391","7","193","2","193","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C195 H260 Cl32 F18 Ir12 N24 O40 S6 -","- C177 H212 Cl8 F6 Ir12 N24 O18 S2 -","- C708 H848 Cl32 F24 Ir48 N96 O72 S8 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.2182","0.1135","","","0.2877","0.3382","","","","","","0.904","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129620","11.4474","0.0015","12.5516","0.0017","12.707","0.0017","81.269","0.002","75.921","0.002","78.018","0.002","1722.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H68 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0698","0.0512","","","0.1512","0.1936","","","","","","1.064","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129621","14.2766","0.0015","12.9614","0.0014","23.346","0.003","90","","105.117","0.002","90","","4170.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir4 N14 O20 S4 -","- C60 H74 F6 Ir4 N8 O14 S2 -","- C120 H148 F12 Ir8 N16 O28 S4 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0611","0.0498","","","0.139","0.1464","","","","","","1.104","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129622","12.6919","0.0009","13.366","0.0009","22.7913","0.0016","90","","100.487","0.001","90","","3801.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H86 F12 N4 O22 Rh4 S4 -","- C56 H86 F12 N4 O22 Rh4 S4 -","- C112 H172 F24 N8 O44 Rh8 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0498","0.0417","","","0.1161","0.1266","","","","","","1.119","","","","has coordinates","240303","2020-10-21","18:00:00",""
"4129623","15.2242","0.0018","16.905","0.002","18.103","0.002","64.831","0.002","69.578","0.002","89.812","0.002","3893.4","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C122 H160 Cl4 F24 N16 O36 Rh8 S8 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1545","0.0959","","","0.266","0.3178","","","","","","1.037","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129624","30.1088","0.0011","30.1088","0.0011","30.1088","0.0011","90","","90","","90","","27294.8","1.7","250","2","250","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C312 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","1","0.0208333","","Deria, Pravas; Gómez-Gualdrón, Diego A; Bury, Wojciech; Schaef, Herbert T.; Wang, Timothy C.; Thallapally, Praveen K.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.","Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.","Journal of the American Chemical Society","2015","137","40","13183","13190","10.1021/jacs.5b08860","","","1.54178","CuKα","","0.0756","0.07","","","0.22","0.2291","","","","","","1.155","","","","has coordinates,has disorder","240304","2020-10-21","18:00:00",""
"4129625","9.3233","0.0002","13.2062","0.0003","25.781","0.0006","90","","94.118","0.001","90","","3166.1","0.12","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 B F4 Ir O3 P -","- C35 H35 B1.001 F4.004 Ir O3 P -","- C140 H140 B4.004 F16.016 Ir4 O12 P4 -","4","1","","Madrahimov, Sherzod T.; Li, Qian; Sharma, Ankit; Hartwig, John F.","Origins of Regioselectivity in Iridium Catalyzed Allylic Substitution.","Journal of the American Chemical Society","2015","137","47","14968","14981","10.1021/jacs.5b08911","","","0.71073","MoKα","","0.027","0.0225","","","0.0538","0.0562","","","","","","1.025","","","","has coordinates,has disorder","240305","2020-10-21","18:00:00",""
"4129626","8.2096","0.0004","10.3606","0.0006","12.5374","0.0007","78.356","0.005","86.755","0.004","78.294","0.005","1022.58","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0526","0.0406","","","0.104","0.111","","","","","","1.042","","","","has coordinates","240306","2020-10-21","18:00:00",""
"4129627","12.365","0.0004","7.1455","0.0002","24.4499","0.0011","90","","100.506","0.004","90","","2124.03","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 O5.5 -","- C23 H35 O5.5 -","- C92 H140 O22 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0768","0.0495","","","0.1198","0.1351","","","","","","1.038","","","","has coordinates","240307","2020-10-21","18:00:00",""
"4129628","7.3277","0.0007","12.5761","0.0016","16.8309","0.0013","68.764","0.009","78.415","0.008","85.076","0.009","1416.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 N O6 Si -","- C29 H35 N O6 Si -","- C58 H70 N2 O12 Si2 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0891","0.061","","","0.156","0.1806","","","","","","1.047","","","","has coordinates","240308","2020-10-21","18:00:00",""
"4129629","12.6632","0.0003","14.6384","0.0004","11.1116","0.0003","90","","115.882","0.003","90","","1853.14","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0618","0.0572","","","0.1537","0.1596","","","","","","1.06","","","","has coordinates","240309","2020-10-21","18:00:00",""
"4129630","18.9567","0.0008","7.1117","0.0003","25.0982","0.0011","90","","108.936","0.005","90","","3200.5","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 N O8 -","- C35 H41 N O8 -","- C140 H164 N4 O32 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0983","0.0559","","","0.1209","0.1453","","","","","","1.022","","","","has coordinates","240310","2020-10-21","18:00:00",""
"4129631","9.54847","0.00018","20.5798","0.0003","9.2024","0.00015","90","","97.8741","0.0018","90","","1791.27","0.05","126","9","126","9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0644","0.0591","","","0.1485","0.1558","","","","","","1.039","","","","has coordinates","240311","2020-10-21","18:00:00",""
"4129632","7.3411","0.0004","11.6358","0.0006","15.8361","0.0008","89.249","0.004","79.724","0.004","79.991","0.004","1310.53","0.12","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O8 -","- C27 H29 N O7 -","- C54 H58 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0977","0.067","","","0.1858","0.2088","","","","","","1.05","","","","has coordinates","240312","2020-10-21","18:00:00",""
"4129633","7.3015","0.0006","11.9676","0.0008","18.1605","0.0011","104.911","0.006","91.06","0.006","90.15","0.006","1533.15","0.19","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 F N O7 -","- C34 H38 F N O7 -","- C68 H76 F2 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0823","0.0603","","","0.1632","0.1783","","","","","","1.075","","","","has coordinates","240313","2020-10-21","18:00:00",""
"4129634","11.7541","0.0007","36.2871","0.0018","7.3993","0.0005","90","","106.438","0.007","90","","3027","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N O7 -","- C34 H39 N O7 -","- C136 H156 N4 O28 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.107","0.0761","","","0.1884","0.2105","","","","","","1.059","","","","has coordinates","240314","2020-10-21","18:00:00",""
"4129635","7.3753","0.0004","13.5428","0.0007","19.1838","0.001","90","","90","","90","","1916.12","0.17","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O6 -","- C21 H34 O6 -","- C84 H136 O24 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.063","0.0428","","","0.0873","0.0946","","","","","","0.964","","","","has coordinates","240315","2020-10-21","18:00:00",""
"4129636","18.1271","0.0003","10.22139","0.00013","21.7064","0.0002","90","","101.053","0.0012","90","","3947.24","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.063","0.0557","","","0.1513","0.1597","","","","","","1.046","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129637","7.4515","0.0004","11.8729","0.0006","11.9755","0.0005","74.697","0.004","85.538","0.004","79.449","0.005","1004.15","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0649","0.0592","","","0.1594","0.1689","","","","","","1.033","","","","has coordinates","240317","2020-10-21","18:00:00",""
"4129638","19.6962","0.0002","9.17775","0.00013","22.1774","0.0003","90","","91.7035","0.0012","90","","4007.17","0.09","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C168 H288 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0838","0.0684","","","0.1866","0.2045","","","","","","1.067","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129639","7.3873","0.0004","16.6013","0.0008","19.964","0.001","90","","99.818","0.005","90","","2412.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O4 Si -","- C24 H38 O4 Si -","- C96 H152 O16 Si4 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","","0.71073","MoKα","","0.0644","0.0456","","","0.1121","0.1213","","","","","","1.031","","","","has coordinates","240319","2020-10-21","18:00:00",""
"4129640","23.0976","0.0011","16.3769","0.0007","17.8356","0.0007","90","","100.03","0.001","90","","6643.5","0.5","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Fe6 N15 -","- C72 H92 Fe6 N15 -","- C288 H368 Fe24 N60 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.40651","Synchrotron","","0.051","0.0387","","","0.1086","0.1258","","","","","","1.182","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129641","22.499","0.002","17.6805","0.0017","17.0814","0.0016","90","","101.082","0.001","90","","6668.2","1.1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H98 Fe6 N15 O2 -","- C68 H98 Fe6 N15 O2 -","- C272 H392 Fe24 N60 O8 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.71073","MoKα","","0.0247","0.0211","","","0.0534","0.0555","","","","","","1.022","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129642","7.33","0.002","7.583","0.002","11.831","0.003","85.465","0.005","86.04","0.005","86.498","0.005","653","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H16 Cl2 N6 O Pt -","- C7 H16 Cl2 N6 O Pt -","- C14 H32 Cl4 N12 O2 Pt2 -","2","1","","Wirth, Regina; White, Jonathan D.; Moghaddam, Alan D.; Ginzburg, Aurora L.; Zakharov, Lev N.; Haley, Michael M.; DeRose, Victoria J.","Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.","Journal of the American Chemical Society","2015","137","48","15169","15175","10.1021/jacs.5b09108","","","0.71073","MoKα","","0.0627","0.0403","","","0.0644","0.0704","","","","","","1.011","","","","has coordinates","240321","2020-10-21","18:00:00",""
"4129643","11.2823","0.0002","22.5577","0.0004","28.63","0.002","90","","90","","90","","7286.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Br2 N O3 -","- C22.6667 H28 Br2 N O3 -","- C272 H336 Br24 N12 O36 -","12","3","","Zhang, Jian; Lin, Shao-Xia; Cheng, Dao-Juan; Liu, Xin-Yuan; Tan, Bin","Phosphoric acid-catalyzed asymmetric classic Passerini reaction.","Journal of the American Chemical Society","2015","137","44","14039","14042","10.1021/jacs.5b09117","","","1.54187","CuKα","","0.0893","0.0724","","","0.2024","0.2209","","","","","","1.123","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129644","8.0323","0.0002","10.4276","0.0003","12.6489","0.0003","90.916","0.002","102.405","0.002","91.048","0.003","1034.32","0.05","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 N O2 Sn2 -","- C17 H27 N O2 Sn2 -","- C34 H54 N2 O4 Sn4 -","2","1","","Liu, Zhenxing; Tan, Haocheng; Fu, Tianren; Xia, Ying; Qiu, Di; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Carbene Insertion into Si-Si and Sn-Sn Bonds.","Journal of the American Chemical Society","2015","137","40","12800","12803","10.1021/jacs.5b09135","","","0.71073","MoKα","","0.0373","0.0347","","","0.0938","0.0966","","","","","","1.053","","","","has coordinates","240323","2020-10-21","18:00:00",""
"4129645","10.213","0.004","11.096","0.005","15.471","0.007","102.123","0.011","92.776","0.01","115.93","0.009","1521.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C66 H74 N2 O8 S2 -","2","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","0.71073","MoKα","","0.1612","0.0832","","","0.1829","0.2104","","","","","","0.898","","","","has coordinates","240324","2020-10-21","18:00:00",""
"4129646","11.982","0.002","16.625","0.003","15.76","0.003","90","","92.09","0.03","90","","3137.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 N O5 S -","- C35 H43 N O5 S -","- C140 H172 N4 O20 S4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0457","0.0444","","","0.1221","0.1234","","","","","","1.031","","","","has coordinates","240325","2020-10-21","18:00:00",""
"4129647","9.0368","0.0002","11.3775","0.0003","22.1398","0.0005","90","","90","","90","","2276.33","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O -","- C28 H35 N O -","- C112 H140 N4 O4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0429","0.0422","","","0.1154","0.1164","","","","","","1.045","","","","has coordinates","240326","2020-10-21","18:00:00",""
"4129648","15.5047","0.0007","9.1321","0.0003","16.5055","0.0006","90","","110.485","0.0017","90","","2189.24","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O3 Si -","- C23 H28 N2 O3 Si -","- C92 H112 N8 O12 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0747","0.0494","","","0.1208","0.1364","","","","","","1.029","","","","has coordinates","240327","2020-10-21","18:00:00",""
"4129649","8.798","0.003","8.917","0.005","15.981","0.007","92.26","0.03","100.248","0.01","97.674","0.013","1220.1","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","'GNL-15'","","- C22 H34 N2 O3 S Si2 -","- C22 H34 N2 O3 S Si2 -","- C44 H68 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0719","0.0485","","","0.113","0.1302","","","","","","1.043","","","","has coordinates","240328","2020-10-21","18:00:00",""
"4129650","14.9108","0.0005","14.9108","0.0005","9.1435","0.0004","90","","90","","90","","2032.89","0.13","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H28 N2 O2 S Si -","- C20 H28 N2 O2 S Si -","- C80 H112 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0443","0.037","","","0.0768","0.08","","","","","","1.394","","","","has coordinates,has disorder","240329","2020-10-21","18:00:00",""
"4129651","9.9346","0.0013","11.8387","0.0016","11.9667","0.0016","65.486","0.002","88.359","0.003","75.099","0.003","1232.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N2 O3 S Si2 -","- C24 H30 N2 O3 S Si2 -","- C48 H60 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.136","0.0698","","","0.1302","0.2015","","","","","","1.102","","","","has coordinates","240330","2020-10-21","18:00:00",""
"4129652","6.985","0.004","25.542","0.013","13.145","0.007","90","","103.904","0.011","90","","2276","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N2 O2 S Si -","- C24 H27 N2 O2 S Si -","- C96 H108 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.1425","0.0596","","","0.1061","0.1384","","","","","","0.894","","","","has coordinates","240331","2020-10-21","18:00:00",""
"4129653","10.1102","0.0006","11.8677","0.0007","12.8084","0.0008","114.094","0.002","94.621","0.003","97.477","0.003","1375.74","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C48 H64 N8 O20 S4 -","4","2","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0717","0.0434","","","0.0997","0.1108","","","","","","1.063","","","","has coordinates","240332","2020-10-21","18:00:00",""
"4129654","55.519","0.002","5.7867","0.0002","14.4737","0.0005","90","","102.893","0.0018","90","","4532.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 S Si -","- C22 H30 N2 O4 S Si -","- C176 H240 N16 O32 S8 Si8 -","8","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.123","0.0658","","","0.1463","0.1697","","","","","","1.033","","","","has coordinates","240333","2020-10-21","18:00:00",""
"4129655","11.1136","0.0005","13.0349","0.0006","15.1054","0.0007","105.894","0.002","102.502","0.002","104.711","0.002","1936.99","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 N3 Ti Zn -","- C39 H47 Cl3 N3 Ti Zn -","- C78 H94 Cl6 N6 Ti2 Zn2 -","2","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0383","0.0303","","","0.0702","0.0736","","","","","","1.047","","","","has coordinates,has disorder","240334","2020-10-21","18:00:00",""
"4129656","12.511","0.0008","10.9853","0.0007","13.289","0.0009","90","","93.071","0.002","90","","1823.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 Cl3 N2 Zn -","- C12 H31 Cl3 N2 Zn -","- C48 H124 Cl12 N8 Zn4 -","4","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0176","0.0161","","","0.0408","0.0414","","","","","","1.007","","","","has coordinates","240335","2020-10-21","18:00:00",""
"4129657","23.8731","0.0007","7.6684","0.0017","8.113","0.008","90","","90","","90","","1485.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Cl2 N2 Ti2 -","- C36 H34 Cl2 N2 Ti2 -","- C72 H68 Cl4 N4 Ti4 -","2","0.5","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","","0.71073","MoKα","","0.0544","0.0417","","","0.0891","0.0939","","","","","","1.019","","","","has coordinates","240336","2020-10-21","18:00:00",""
"4129658","13.56","0.004","14.303","0.004","18.204","0.005","106.007","0.005","108.619","0.005","101.864","0.005","3044.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","1","0.5","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0934","0.0514","","","0.1061","0.1238","","","","","","1.014","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129659","11.3764","0.0011","12.97","0.0013","22.324","0.002","103.595","0.002","95.966","0.002","104.173","0.002","3058.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H95 Br Cl3 O2 P Pd -","- C67 H95 Br Cl3 O2 P Pd -","- C134 H190 Br2 Cl6 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0488","0.0434","","","0.112","0.1153","","","","","","1.081","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129660","11.5876","0.0003","13.0465","0.0004","23.2961","0.0007","104.095","0.0016","93.6755","0.0017","105.532","0.0017","3259.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H86.5 Br1.5 F4 O P Pd -","- C67 H86.5 Br1.5 F4 O P Pd -","- C134 H173 Br3 F8 O2 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0535","0.0404","","","0.1032","0.1113","","","","","","1.036","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129661","14.2179","0.0011","24.1395","0.0018","16.4947","0.0013","90","","101.013","0.0015","90","","5556.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H89 F O2 P Pd -","- C66 H89 F O2 P Pd -","- C264 H356 F4 O8 P4 Pd4 -","4","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0575","0.0375","","","0.0781","0.0864","","","","","","1.035","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129662","11.9578","0.0012","12.9323","0.0013","23.306","0.002","89.38","0.003","87.966","0.003","66.94","0.003","3314","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H96 Br F4 O2 P Pd -","- C77 H96 Br F4 O2 P Pd -","- C154 H192 Br2 F8 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0825","0.0482","","","0.115","0.1349","","","","","","1.016","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129663","11.5492","0.0008","12.6883","0.0009","19.6753","0.0014","84.628","0.002","73.788","0.001","83.385","0.001","2744.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Br O3 P Pd -","- C64 H86 Br O3 P Pd -","- C128 H172 Br2 O6 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0594","0.044","","","0.0992","0.1061","","","","","","1.061","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129664","11.364","0.003","7.4049","0.0019","12.903","0.004","90","","111.522","0.004","90","","1010.1","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0412","0.0323","","","0.0775","0.0966","","","","","","1.044","","","","has coordinates","240338","2020-10-21","18:00:00",""
"4129665","14.034","0.002","9.8516","0.0014","21.688","0.003","90","","90.641","0.003","90","","2998.3","0.7","115","2","115","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl F6 N4 O4 P -","- C70 H58 Cl F6 N4 O4 P -","- C140 H116 Cl2 F12 N8 O8 P2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0446","0.0405","","","0.0987","0.1051","","","","","","1.051","","","","has coordinates","240339","2020-10-21","18:00:00",""
"4129666","17.17","0.002","13.8418","0.0018","37.158","0.005","90","","102.787","0.002","90","","8612.1","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 Os P2 -","- C91 H93 Mn2 N11 O13 Os P2 -","- C364 H372 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.028","0.0257","","","0.0643","0.0652","","","","","","1.116","","","","has coordinates","240340","2020-10-21","18:00:00",""
"4129667","23.839","0.003","20.368","0.002","19.348","0.002","90","","90","","90","","9394.5","1.8","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O0.4 P6 Ru -","- C114 H90 N9 O0.4 P6 Ru -","- C456 H360 N36 O1.6 P24 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0695","0.0412","","","0.0827","0.0933","","","","","","1.011","","","","has coordinates","240341","2020-10-21","18:00:00",""
"4129668","17.19","0.007","13.844","0.006","37.287","0.015","90","","102.757","0.006","90","","8654","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 P2 Ru -","- C91 H93 Mn2 N11 O13 P2 Ru -","- C364 H372 Mn8 N44 O52 P8 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.1266","0.0715","","","0.1506","0.1729","","","","","","1.042","","","","has coordinates","240342","2020-10-21","18:00:00",""
"4129669","17.047","0.004","13.851","0.003","37.202","0.008","90","","102.585","0.003","90","","8573","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co Mn2 N11 O13 P2 -","- C91 H94 Co Mn2 N11 O13 P2 -","- C364 H376 Co4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.059","0.0416","","","0.0933","0.1017","","","","","","1.029","","","","has coordinates","240343","2020-10-21","18:00:00",""
"4129670","17.346","0.004","13.979","0.003","37.662","0.009","90","","103.254","0.003","90","","8889","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Mn2 N11 O13 Os P2 -","- C91 H94 Mn2 N11 O13 Os P2 -","- C364 H376 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0611","0.0365","","","0.0687","0.0758","","","","","","1.02","","","","has coordinates","240344","2020-10-21","18:00:00",""
"4129671","23.807","0.006","20.467","0.005","19.353","0.005","90","","90","","90","","9430","4","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O Os P6 -","- C114 H90 N9 O Os P6 -","- C456 H360 N36 O4 Os4 P24 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0463","0.0296","","","0.06","0.0693","","","","","","1.037","","","","has coordinates","240345","2020-10-21","18:00:00",""
"4129672","17.062","0.001","13.837","0.001","37.104","0.002","90","","102.588","0.001","90","","8549.2","0.9","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C364 H376 Co3.68 Mn8 N44 O52 Os0.32 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0455","0.0347","","","0.0786","0.0837","","","","","","1.021","","","","has coordinates","240346","2020-10-21","18:00:00",""
"4129673","17.237","0.012","13.99","0.009","37.687","0.026","90","","102.97","0.011","90","","8856","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H64 Fe Mn2 N11 O13 P2 -","- C91 H64 Fe Mn2 N11 O13 P2 -","- C364 H256 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.127","0.0631","","","0.1273","0.1549","","","","","","1.002","","","","has coordinates","240347","2020-10-21","18:00:00",""
"4129674","17.033","0.002","13.8193","0.0018","37.129","0.005","90","","102.65","0.002","90","","8527.4","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Fe Mn2 N11 O13 P2 -","- C91 H94 Fe Mn2 N11 O13 P2 -","- C364 H376 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0413","0.0356","","","0.0904","0.0942","","","","","","1.043","","","","has coordinates","240348","2020-10-21","18:00:00",""
"4129675","16.315","0.005","16.49","0.005","16.955","0.005","84.754","0.005","63.032","0.005","87.154","0.005","4048","2","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Co Mn3 N12 O18 -","- C78 H66 Co Mn3 N12 O18 -","- C156 H132 Co2 Mn6 N24 O36 -","2","1","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0655","0.0541","","","0.1231","0.1294","","","","","","1.069","","","","has coordinates","240349","2020-10-21","18:00:00",""
"4129676","8.4586","0.0017","9.804","0.002","20.952","0.004","90","","97.53","0.03","90","","1722.5","0.6","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C88 H88 N8 -","4","1","","Deibl, Nicklas; Ament, Kevin; Kempe, Rhett","A Sustainable Multicomponent Pyrimidine Synthesis.","Journal of the American Chemical Society","2015","137","40","12804","12807","10.1021/jacs.5b09510","","","0.71073","MoKα","","0.0575","0.0335","","","0.0772","0.0811","","","","","","0.846","","","","has coordinates","240350","2020-10-21","18:00:00",""
"4129677","9.034","0.0004","11.0213","0.0006","11.9901","0.0007","106.481","0.002","91.063","0.002","101.589","0.002","1117.79","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0522","0.0401","","","0.1036","0.1112","","","","","","1.065","","","","has coordinates","240351","2020-10-21","18:00:00",""
"4129678","12.3105","0.0006","16.9749","0.0009","25.2304","0.0013","90","","103.885","0.003","90","","5118.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H96 Li6 N6 O12 -","- C102 H96 Li6 N6 O12 -","- C204 H192 Li12 N12 O24 -","2","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0675","0.0505","","","0.1391","0.1486","","","","","","1.068","","","","has coordinates,has disorder","240352","2020-10-21","18:00:00",""
"4129679","14.4697","0.0007","19.4187","0.0008","16.725","0.0008","90","","101.333","0.002","90","","4607.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H120 Li6 N6 O12 -","- C78 H120 Li6 N6 O12 -","- C156 H240 Li12 N12 O24 -","2","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0788","0.0679","","","0.1796","0.1879","","","","","","1.081","","","","has coordinates","240353","2020-10-21","18:00:00",""
"4129680","24.9263","0.0016","12.4099","0.0007","22.988","0.0014","90","","95.483","0.003","90","","7078.4","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Li4 N4 O8 -","- C68 H64 Li4 N4 O8 -","- C272 H256 Li16 N16 O32 -","4","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0725","0.0475","","","0.1293","0.1404","","","","","","1.018","","","","has coordinates","240354","2020-10-21","18:00:00",""
"4129681","9.2312","0.0005","10.1683","0.0007","10.2843","0.0007","88.233","0.003","85.265","0.003","79.988","0.003","947.26","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0434","0.0373","","","0.0999","0.105","","","","","","1.047","","","","has coordinates,has disorder","240355","2020-10-21","18:00:00",""
"4129682","10.532","0.003","8.758","0.003","26.851","0.009","90","","97.382","0.012","90","","2456.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Li N3 O2 -","- C25 H36 Li N3 O2 -","- C100 H144 Li4 N12 O8 -","4","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0601","0.0419","","","0.1022","0.1127","","","","","","1.026","","","","has coordinates,has disorder","240356","2020-10-21","18:00:00",""
"4129683","4.0401","0.0006","23.361","0.004","20.748","0.003","90","","95.071","0.008","90","","1950.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B Br2 Te -","- C22 H15 B Br2 Te -","- C88 H60 B4 Br8 Te4 -","4","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.1055","0.0514","","","0.075","0.0882","","","","","","1.023","","","","has coordinates","240357","2020-10-21","18:00:00",""
"4129684","9.695","0.002","10.677","0.002","16.034","0.003","107.424","0.01","91.189","0.01","96.81","0.01","1569.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 B Te -","- C37 H38 B Te -","- C74 H76 B2 Te2 -","2","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.0263","0.0221","","","0.0498","0.0519","","","","","","1.049","","","","has coordinates","240358","2020-10-21","18:00:00",""
"4129685","8.582","0.003","15.89","0.006","28.65","0.01","90","","90","","90","","3907","2","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 Al N3 O4 -","- C40 H42 Al N3 O4 -","- C160 H168 Al4 N12 O16 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0454","0.0412","","","0.1058","0.1086","","","","","","1.026","","","","has coordinates","240359","2020-10-21","18:00:00",""
"4129686","13.3617","0.001","13.3617","0.001","16.3676","0.0012","90","","90","","90","","2922.2","0.4","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C34 H33 N3 O4 Ti -","- C34 H33 N3 O4 Ti -","- C136 H132 N12 O16 Ti4 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0356","0.0313","","","0.0732","0.0751","","","","","","1.03","","","","has coordinates","240360","2020-10-21","18:00:00",""
"4129687","9.4941","0.0013","21.473","0.003","17.33","0.002","90","","102.524","0.003","90","","3448.9","0.8","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Fe N3 -","- C38 H53 Fe N3 -","- C152 H212 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1203","0.0567","","","0.1179","0.1416","","","","","","1.007","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129688","15.9259","0.0009","25.8507","0.0014","18.8349","0.001","90","","113.493","0.001","90","","7111.5","0.7","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Fe N3 -","- C40 H61 Fe N3 -","- C320 H488 Fe8 N24 -","8","2","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1059","0.0585","","","0.1356","0.1585","","","","","","1.014","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129689","10.8742","0.0008","30.161","0.002","11.4324","0.0008","90","","108.326","0.001","90","","3559.4","0.4","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Fe N3 -","- C40 H57 Fe N3 -","- C160 H228 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.075","0.0468","","","0.1031","0.1141","","","","","","1.019","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129690","11.046","0.004","13.437","0.005","15.899","0.006","67.416","0.006","73.222","0.006","66.689","0.005","1974.8","1.3","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Fe N4 -","- C45 H58 Fe N4 -","- C90 H116 Fe2 N8 -","2","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1438","0.0869","","","0.2309","0.2674","","","","","","1.051","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129691","11.3109","0.0011","23.88","0.002","17.4294","0.0017","90","","98.003","0.002","90","","4661.9","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Fe N4 Si -","- C51 H66 Fe N4 Si -","- C204 H264 Fe4 N16 Si4 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.0754","0.0435","","","0.0947","0.1084","","","","","","0.998","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129692","20.253","0.002","14.3344","0.0013","19.813","0.0019","90","","93.32","0.002","90","","5742.3","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 Fe N6 -","- C58 H68 Fe N6 -","- C232 H272 Fe4 N24 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1101","0.0597","","","0.1724","0.1902","","","","","","0.939","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129693","8.4808","0.0006","24.6772","0.0017","10.9388","0.0007","90","","97.166","0.004","90","","2271.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Goodman, C. Guy; Johnson, Jeffrey S.","Asymmetric Synthesis of β-Amino Amides by Catalytic Enantioconvergent 2-Aza-Cope Rearrangement.","Journal of the American Chemical Society","2015","137","46","14574","14577","10.1021/jacs.5b09593","","","1.54178","CuKα","","0.06","0.053","","","0.1429","0.148","","","","","","1.045","","","","has coordinates","240362","2020-10-21","18:00:00",""
"4129694","16.1261","0.0015","17.853","0.0016","18.2352","0.0016","64.955","0.001","64.749","0.002","80.851","0.002","4300.3","0.7","258","2","258","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.107","0.0643","","","0.1712","0.2521","","","","","","1.032","","","","has coordinates,has disorder","240363","2020-10-21","18:00:00",""
"4129695","15.9937","0.0013","17.7756","0.0014","18.0174","0.0014","64.973","0.001","65.309","0.001","81.159","0.001","4215.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.0837","0.0565","","","0.1614","0.2309","","","","","","1.076","","","","has coordinates,has disorder","240364","2020-10-21","18:00:00",""
"4129696","27.989","0.003","27.989","0.003","8.8181","0.0018","90","","90","","120","","5982.5","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H22 Fe N12 O4 -","- C22 H22 Fe N12 O4 -","- C198 H198 Fe9 N108 O36 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0741","0.0589","","","0.1608","0.1721","","","","","","1.042","","","","has coordinates","240365","2020-10-21","18:00:00",""
"4129697","27.897","0.004","27.897","0.004","8.6691","0.0017","90","","90","","120","","5842.8","1.6","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Fe N12 -","- C22 H14 Fe N12 -","- C198 H126 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0397","0.0376","","","0.1052","0.1073","","","","","","1.092","","","","has coordinates","240366","2020-10-21","18:00:00",""
"4129698","28.873","0.004","28.873","0.004","9.3425","0.0019","90","","90","","120","","6744.9","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 Fe N12 -","- C30 H22 Fe N12 -","- C270 H198 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.1008","0.0867","","","0.2315","0.2463","","","","","","1.111","","","","has coordinates","240367","2020-10-21","18:00:00",""
"4129699","28.622","0.004","28.622","0.004","9.2243","0.0018","90","","90","","120","","6544.3","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H14 Fe N12 O10 -","- C27 H14 Fe N12 O10 -","- C243 H126 Fe9 N108 O90 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0901","0.0811","","","0.2191","0.2297","","","","","","1.057","","","","has coordinates","240368","2020-10-21","18:00:00",""
"4129700","6.3463","0.0004","14.4931","0.0009","16.2263","0.0009","90","","90","","90","","1492.46","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DCM1","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Miller, David C.; Choi, Gilbert J.; Orbe, Hudson S.; Knowles, Robert R.","Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2015","137","42","13492","13495","10.1021/jacs.5b09671","","","1.54178","CuKα","","0.0282","0.027","","","0.0712","0.0719","","","","","","1.086","","","","has coordinates","240370","2020-10-21","18:00:00",""
"4129703","8.0634","0.0007","12.7239","0.0012","22.679","0.002","90","","90","","90","","2326.8","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B N3 O S -","- C26 H26 B N3 O S -","- C104 H104 B4 N12 O4 S4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Asymmetric Synthesis of α-Aminoboronic Acid Derivatives by Copper-Catalyzed Enantioselective Hydroamination.","Journal of the American Chemical Society","2015","137","50","15620","15623","10.1021/jacs.5b09773","","","0.71075","MoKα","","","0.0561","","","","0.1103","","","","","","1.085","","","","has coordinates","240373","2020-10-21","18:00:00",""
"4129704","19.21","0.002","7.084","0.0006","30.223","0.003","90","","98.459","0.006","90","","4068.1","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.144","0.089","","","0.1995","0.2179","","","","","","1.359","","","","has coordinates","240374","2020-10-21","18:00:00",""
"4129705","15.8192","0.0002","12.8096","0.0002","8.826","0.0001","90","","90","","90","","1788.48","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.024","0.0237","","","0.0632","0.0634","","","","","","1.07","","","","has coordinates","240375","2020-10-21","18:00:00",""
"4129706","12.8249","0.0005","13.1568","0.0006","14.1193","0.0007","85.712","0.002","75.187","0.003","61.523","0.002","2021.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C88 H116 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0438","0.0403","","","0.1084","0.1103","","","","","","1.036","","","","has coordinates","240376","2020-10-21","18:00:00",""
"4129707","6.61","0.005","15.133","0.014","19.221","0.017","70.813","0.013","89.806","0.011","89.28","0.011","1816","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.1315","0.0654","","","0.1543","0.2064","","","","","","1.039","","","","has coordinates","240377","2020-10-21","18:00:00",""
"4129708","10.935","0.002","11.745","0.002","13.03","0.002","90","","90","","90","","1673.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0404","0.0344","","","0.0818","0.0847","","","","","","1.02","","","","has coordinates","240378","2020-10-21","18:00:00",""
"4129709","10.9297","0.0002","11.738","0.0002","13.0327","0.0003","90","","90","","90","","1672","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0304","0.0303","","","0.0821","0.0824","","","","","","1.05","","","","has coordinates","240379","2020-10-21","18:00:00",""
"4129710","20.438","0.008","8.21","0.003","11.471","0.005","90","","98.574","0.006","90","","1903.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C80 H108 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0886","0.0667","","","0.1763","0.1935","","","","","","1.1","","","","has coordinates","240380","2020-10-21","18:00:00",""
"4129711","9.0649","0.001","9.4336","0.001","17.0247","0.0018","102.421","0.002","90.281","0.002","97.364","0.002","1409.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 F6 Ir N Sb -","- C29 H31 F6 Ir N Sb -","- C58 H62 F12 Ir2 N2 Sb2 -","2","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0716","0.0416","","","0.0932","0.1711","","","","","","1.32","","","","has coordinates","240381","2020-10-21","18:00:00",""
"4129712","6.7673","0.001","13.803","0.002","12.1929","0.0018","90","","97.214","0.002","90","","1129.9","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0418","0.038","","","0.114","0.1187","","","","","","1.063","","","","has coordinates","240382","2020-10-21","18:00:00",""
"4129713","23.079","0.0013","12.1433","0.0007","17.7765","0.001","90","","107.418","0.001","90","","4753.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 P2 Th -","- C50 H78 P2 Th -","- C200 H312 P8 Th4 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0287","0.0198","","","0.044","0.048","","","","","","1.031","","","","has coordinates,has disorder","240383","2020-10-21","18:00:00",""
"4129714","11.0279","0.0016","18.2","0.003","25.124","0.004","90","","94.3","0.002","90","","5028.4","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H81 P Th2 -","- C55 H81 P Th2 -","- C220 H324 P4 Th8 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.028","0.0207","","","0.0431","0.0503","","","","","","1.059","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129715","9.489","0.002","10.143","0.002","18.579","0.004","82.039","0.002","77.46","0.002","67.375","0.002","1608.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 O2 Th -","- C36 H48 O2 Th -","- C72 H96 O4 Th2 -","2","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0242","0.0204","","","0.0422","0.0441","","","","","","1.031","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129716","13.0171","0.0007","13.0171","0.0007","29.7312","0.0016","90","","90","","120","","4362.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C86 H137 Co2 K2 N12 O19.44 -","- C85.632 H136.26 Co2 K2 N11.98 O19.316 -","- C171.264 H272.52 Co4 K4 N23.96 O38.632 -","2","0.333333","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.1359","0.0994","","","0.2298","0.2539","","","","","","1.066","","","","has coordinates,has disorder","240384","2020-10-21","18:00:00",""
"4129717","13.9661","0.0009","19.9492","0.0013","24.6841","0.0016","90","","93.299","0.001","90","","6865.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H93 Co2 K2 N12 O10.5 -","- C62 H93 Co2 K2 N12 O10.5 -","- C248 H372 Co8 K8 N48 O42 -","4","1","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.0577","0.0406","","","0.0914","0.099","","","","","","1.018","","","","has coordinates,has disorder","240385","2020-10-21","18:00:00",""
"4129718","7.2292","0.0006","8.3533","0.0007","11.9019","0.001","91.933","0.001","102.853","0.001","91.483","0.001","699.91","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","1","0.5","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.0309","0.0289","","","0.0789","0.0818","","","","","","1.091","","","","has coordinates","240386","2020-10-21","18:00:00",""
"4129719","11.109","0.002","19.269","0.004","22.218","0.004","67.443","0.002","75.68","0.002","79.371","0.003","4234.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H69 F24 N11 O10 -","- C91 H69 F24 N11 O10 -","- C182 H138 F48 N22 O20 -","2","1","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.1312","0.0706","","","0.1625","0.1861","","","","","","1.035","","","","has coordinates,has disorder","240387","2020-10-21","18:00:00",""
"4129720","12.875","0.004","10.538","0.003","21.741","0.007","90","","93.329","0.006","90","","2944.8","1.6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 Cl2 Fe N5 O10 -","- C19 H34 Cl2 Fe N5 O10 -","- C76 H136 Cl8 Fe4 N20 O40 -","4","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71073","MoKα","","0.21","0.1179","","","0.3203","0.3844","","","","","","1.026","","","","has coordinates,has disorder","240388","2020-10-21","18:00:00",""
"4129721","9.349","0.005","9.148","0.005","16.448","0.006","90","","123.32","0.02","90","","1175.5","1","120","2","120","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C16 H24 F6 Fe N4 O6 S2 -","- C16 H24 F6 Fe N4 O6 S2 -","- C32 H48 F12 Fe2 N8 O12 S4 -","2","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71069","MoKα","","0.0535","0.0412","","","0.0966","0.1182","","","","","","1.105","","","","has coordinates","240389","2020-10-21","18:00:00",""
"4129722","11.91397","0.00013","25.1896","0.0003","26.0022","0.0003","90","","90","","90","","7803.47","0.15","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C280 H448 Br16 Cl16 N32 O16 Zn16 -","8","1","","Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.","Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.","Journal of the American Chemical Society","2015","137","48","15078","15081","10.1021/jacs.5b09913","","","0.71073","MoKα","","0.0515","0.0315","","","0.0685","0.0733","","","","","","1.04","","","","has coordinates","240390","2020-10-21","18:00:00",""
"4129723","14.8197","0.0007","47.047","0.002","20.255","0.0009","90","","104.428","0.002","90","","13676.8","1.1","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C258 H169 B4 F40 N39 O24 S8 Zn4 -","- C256.88 H169 B4 F40.12 N38.44 O21.76 S6.88 Zn4 -","- C513.76 H338 B8 F80.24 N76.88 O43.52 S13.76 Zn8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1266","0.102","","","0.267","0.2844","","","","","","1.051","","","","has coordinates,has disorder","240391","2020-10-21","18:00:00",""
"4129724","27.1632","0.0017","44.317","0.003","29.6106","0.0015","90","","91.101","0.002","90","","35638","4","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C258 H162 Co4 F48 N39 O28 P7 S2 -","- C257.3 H162 Co4 F25.65 N38.65 O26.6 P3.625 S1.3 -","- C1029.2 H648 Co16 F102.6 N154.6 O106.4 P14.5 S5.2 -","4","2","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1176","0.0935","","","0.2479","0.2714","","","","","","0.994","","","","has coordinates","240392","2020-10-21","18:00:00",""
"4129725","21.7632","0.0011","29.6794","0.0014","45.408","0.002","90","","98.851","0.001","90","","28981","2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C276 H177 F48 Fe4 N33 O32 S16 -","- C271.164 H177 F32.25 Fe4 N30.25 O21 S10.75 -","- C1084.66 H708 F129 Fe16 N121 O84 S43 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1713","0.1398","","","0.3816","0.401","","","","","","1.574","","","","has coordinates,has disorder","240393","2020-10-21","18:00:00",""
"4129726","10.0543","0.0015","14.692","0.002","22.93","0.003","102.034","0.007","99.129","0.006","102.863","0.006","3154","0.8","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H76 F24 N20 O20 S8 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","1","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1004","0.0896","","","0.2682","0.2842","","","","","","1.213","","","","has coordinates,has disorder","240394","2020-10-21","18:00:00",""
"4129727","66.845","0.004","66.845","0.004","36.369","0.003","90","","90","","120","","140734","17","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C270 H174 B F46 N33 O28 S14 Zn4 -","- C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4 -","- C4671 H3132 B18 F261 N499.5 O126 S63 Zn72 -","18","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","0.6889","synchrotron","","0.1758","0.1335","","","0.3482","0.3801","","","","","","1.221","","","","has coordinates,has disorder","240395","2020-10-21","18:00:00",""
"4129728","26.1104","0.0014","24.4159","0.0013","47.001","0.002","90","","100.271","0.001","90","","29483","3","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C307 H213 B Co4 F46 N35 O28 S14 -","- C307 H213 B Co4 F46 N35 O28 S14 -","- C1228 H852 B4 Co16 F184 N140 O112 S56 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1331","0.1112","","","0.2949","0.3136","","","","","","1.044","","","","has coordinates,has disorder","240396","2020-10-21","18:00:00",""
"4129729","10.267","0.0003","28.1379","0.0007","18.4589","0.0005","90","","101.357","0.001","90","","5228.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 As4 F24 N16 Zn2 -","- C108 H88 As4 F24 N16 Zn2 -","- C216 H176 As8 F48 N32 Zn4 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.088","0.0577","","","0.1423","0.1592","","","","","","1.044","","","","has coordinates,has disorder","240397","2020-10-21","18:00:00",""
"4129730","10.2268","0.0009","28.417","0.003","18.6761","0.0017","90","","101.443","0.004","90","","5319.7","0.9","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 Co2 F24 N16 Sb4 -","- C108 H88 Co2 F24 N16 Sb4 -","- C216 H176 Co4 F48 N32 Sb8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.0735","0.0503","","","0.1214","0.1339","","","","","","1.03","","","","has coordinates,has disorder","240398","2020-10-21","18:00:00",""
"4129731","13.8775","0.0007","22.7066","0.0012","16.4233","0.0008","89.98","0.002","111.607","0.002","90.049","0.003","4811.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Fe N2 O2 Si2 -","- C57 H50 Fe N2 O2 Si2 -","- C228 H200 Fe4 N8 O8 Si8 -","4","2","","Manna, Cesar M.; Kaur, Aman; Yablon, Lauren M.; Haeffner, Fredrik; Li, Bo; Byers, Jeffery A.","Stereoselective Catalysis Achieved through in Situ Desymmetrization of an Achiral Iron Catalyst Precursor.","Journal of the American Chemical Society","2015","137","45","14232","14235","10.1021/jacs.5b09966","","","1.54178","CuKα","","0.072","0.0647","","","0.1671","0.1722","","","","","","1.022","","","","has coordinates,has disorder","240399","2020-10-21","18:00:00",""
"4129732","7.9237","0.0015","19.437","0.004","25.491","0.005","90","","96.523","0.003","90","","3900.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C160 H208 Cl8 N24 O8 -","8","2","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0878","0.0464","","","0.1012","0.108","","","","","","0.843","","","","has coordinates","240400","2020-10-21","18:00:00",""
"4129733","9.2574","0.0018","15.213","0.003","13.783","0.003","90","","98.929","0.003","90","","1917.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N3 O -","- C22 H22 Cl N3 O -","- C88 H88 Cl4 N12 O4 -","4","1","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0378","0.0331","","","0.0939","0.0956","","","","","","1.078","","","","has coordinates","240401","2020-10-21","18:00:00",""
"4129734","5.3549","0.0004","14.4147","0.0013","17.117","0.0016","90","","90","","90","","1321.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound4f","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","","Chen, Ming; Hartwig, John F.","Iridium-Catalyzed Enantioselective Allylic Substitution of Enol Silanes from Vinylogous Esters and Amides.","Journal of the American Chemical Society","2015","137","43","13972","13979","10.1021/jacs.5b09980","","","0.71073","MoKα","","0.0326","0.029","","","0.0712","0.073","","","","","","1.042","","","","has coordinates","240402","2020-10-21","18:00:00",""
"4129735","10.8153","0.0002","15.1273","0.0003","16.7307","0.0003","85.503","0.001","89.664","0.001","74.894","0.001","2634.23","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Ni O2 P2 Si -","- C24 H38 Ni O2 P2 Si -","- C96 H152 Ni4 O8 P8 Si4 -","4","2","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0273","0.0267","","","0.0748","0.0754","","","","","","0.997","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129736","11.832","0.0001","20.1684","0.0002","25.0196","0.0003","90","","90","","90","","5970.49","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Ni O2 P2 Si -","- C30 H42 Ni O2 P2 Si -","- C240 H336 Ni8 O16 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0305","0.0279","","","0.0768","0.079","","","","","","1.016","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129737","17.5124","0.0006","12.2425","0.0004","18.1131","0.0006","90","","114.634","0.002","90","","3529.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Ni O4 P2 Si2 -","- C30 H52 Ni O4 P2 Si2 -","- C120 H208 Ni4 O16 P8 Si8 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0745","0.0646","","","0.1668","0.1743","","","","","","1.066","","","","has coordinates,has disorder","240403","2020-10-21","18:00:00",""
"4129738","14.986","0.0004","22.3994","0.0007","23.3004","0.0007","108.043","0.002","96.706","0.002","101.488","0.002","7152.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H103.5 Co N3 O0.25 P3 V -","- C78 H103.5 Co N3 O0.25 P3 V -","- C312 H414 Co4 N12 O P12 V4 -","4","2","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0726","0.0439","","","0.1047","0.1202","","","","","","1.013","","","","has coordinates,has disorder","240404","2020-10-21","18:00:00",""
"4129739","16.056","0.002","26.236","0.004","19.263","0.003","90","","90.609","0.009","90","","8114","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 N6 O P3 V2 -","- C90 H120 N6 O P3 V2 -","- C360 H480 N24 O4 P12 V8 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0788","0.0532","","","0.1369","0.1566","","","","","","1.022","","","","has coordinates","240405","2020-10-21","18:00:00",""
"4129740","13.1916","0.001","17.3669","0.0013","19.9287","0.0016","90","","90.145","0.003","90","","4565.6","0.6","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cl0.15 N2 O P2.55 V -","- C46 H70 Cl0.15 N2 O P2.55 V -","- C184 H280 Cl0.6 N8 O4 P10.2 V4 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0966","0.0667","","","0.1305","0.1479","","","","","","1.098","","","","has coordinates","240406","2020-10-21","18:00:00",""
"4129741","12.0353","0.0004","17.0919","0.0006","17.2609","0.0006","72.408","0.002","71.873","0.002","80.801","0.002","3208.1","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSD","","","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0729","0.0543","","","0.1411","0.1562","","","","","","1.023","","","","has coordinates,has disorder","240407","2020-10-21","18:00:00",""
"4129742","25.656","0.005","11.2439","0.0018","21.551","0.004","90","","116.916","0.0019","90","","5543.4","1.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(HexO)MEindBr","","","- C30 H49 Br O -","- C30 H49 Br O -","- C240 H392 Br8 O8 -","8","1","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0441","0.0367","","","0.0876","0.0921","","","","","","1.034","","","","has coordinates","240408","2020-10-21","18:00:00",""
"4129743","10.7674","0.0019","11.3808","0.0018","14.553","0.003","79.962","0.006","87.97","0.008","66.481","0.005","1609","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSM","","","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0663","0.0493","","","0.1414","0.1535","","","","","","1.036","","","","has coordinates,has disorder","240409","2020-10-21","18:00:00",""
"4129749","20.2964","0.0009","5.6535","0.0002","20.5834","0.0009","90","","107.083","0.005","90","","2257.65","0.17","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F6 N O4 S -","- C21 H22 F6 N O4 S -","- C84 H88 F24 N4 O16 S4 -","4","1","","Zhou, Taigang; Luo, Fei-Xian; Yang, Ming-Yu; Shi, Zhang-Jie","Silver-Catalyzed Long-Distance Aryl Migration from Carbon Center to Nitrogen Center.","Journal of the American Chemical Society","2015","137","46","14586","14589","10.1021/jacs.5b10267","","","0.7107","MoKα","","0.0747","0.0533","","","0.1219","0.1323","","","","","","1.087","","","","has coordinates","240411","2020-10-21","18:00:00",""
"4129751","10.4928","0.0018","7.5529","0.0013","13.883","0.002","90","","98.217","0.004","90","","1088.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Howell, Jennifer M.; Feng, Kaibo; Clark, Joseph R.; Trzepkowski, Louis J.; White, M. Christina","Remote Oxidation of Aliphatic C-H Bonds in Nitrogen-Containing Molecules.","Journal of the American Chemical Society","2015","137","46","14590","14593","10.1021/jacs.5b10299","","","1.54178","CuKα","","0.0342","0.0339","","","0.0847","0.085","","","","","","1.137","","","","has coordinates","240413","2020-10-21","18:00:00",""
"4129752","16.2898","0.0008","24.1007","0.0013","32.3023","0.0017","93.428","0.003","102.052","0.003","107.203","0.002","11746.7","1.1","100","2","100.07","","","","","","","","","7","P -1","-P 1","2","","","","- C202 H205 F72 N23 O20 P12 Se4 -","- C202 H205 F72 N23 O20 P12 Se4 -","- C404 H410 F144 N46 O40 P24 Se8 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.1202","0.0868","","","0.2637","0.2878","","","","","","1.113","","","","has coordinates,has disorder","240414","2020-10-21","18:00:00",""
"4129753","18.7124","0.0007","20.003","0.0008","20.6195","0.0008","71.672","0.002","87.991","0.002","64.714","0.002","6580","0.5","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C119 H127.5 F36 N18.5 O10 P6 -","- C119 H127.5 F36 N18.5 O10 P6 -","- C238 H255 F72 N37 O20 P12 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0942","0.0877","","","0.241","0.2475","","","","","","1.031","","","","has coordinates,has disorder","240415","2020-10-21","18:00:00",""
"4129754","7.7663","0.0003","10.6382","0.0004","17.0714","0.0007","89.292","0.002","83.763","0.002","73.444","0.002","1343.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0676","0.0554","","","0.127","0.1363","","","","","","1.049","","","","has coordinates","240416","2020-10-21","18:00:00",""
"4129755","10.1807","0.0002","11.1872","0.0003","14.0332","0.0004","101.093","0.002","92.183","0.002","102.516","0.002","1525.84","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.0717","0.0587","","","0.1624","0.175","","","","","","1.07","","","","has coordinates,has disorder","240416","2020-10-21","18:00:00",""
"4129756","24.313","0.0012","9.277","0.0005","19.2048","0.0011","90","","90","","90","","4331.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H58 N Ni O4 P -","- C51 H58 N Ni O4 P -","- C204 H232 N4 Ni4 O16 P4 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0215","0.0211","","","0.0576","0.0577","","","","","","1.028","","","","has coordinates","240417","2020-10-21","18:00:00",""
"4129757","12.161","0.004","18.24","0.006","18.943","0.006","85.263","0.004","80.079","0.004","86.325","0.004","4120","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C84.5 H74 B F24 N Na Ni O5 P -","- C84.5 H74 B F24 N Na Ni O5 P -","- C169 H148 B2 F48 N2 Na2 Ni2 O10 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0905","0.0726","","","0.1796","0.1924","","","","","","1.031","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129758","11.539","0.003","19.626","0.004","21.139","0.005","62.823","0.002","78.79","0.003","88.281","0.003","4168","1.7","426","2","426","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H72 B F24 K N Ni O6 P -","- C84 H72 B F24 K N Ni O6 P -","- C168 H144 B2 F48 K2 N2 Ni2 O12 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0637","0.0517","","","0.1288","0.1383","","","","","","1.037","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129759","12.0736","0.001","59.562","0.005","17.2666","0.0014","90","","101.397","0.004","90","","12172","1.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C512 H472 B4 F96 N8 Na4 Ni8 O32 P8 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.1364","0.0897","","","0.2223","0.2562","","","","","","1.053","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129762","13.5632","0.0005","13.5632","0.0005","8.7449","0.0005","90","","90","","120","","1393.19","0.11","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 Fe2 N8 O20 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.1072","0.0954","","","0.2481","0.2651","","","","","","1.173","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129763","13.6682","0.0006","13.6682","0.0006","8.887","0.0005","90","","90","","120","","1437.83","0.12","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 N8 O20 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.0983","0.0939","","","0.2327","0.2469","","","","","","1.142","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129764","22.1401","0.0005","22.1401","0.0005","22.1401","0.0005","90","","90","","90","","10852.7","0.4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C50 H78 Fe2 N2 O12 -","- C49.9968 H77.9928 Fe2 N1.9998 O12 -","- C399.974 H623.942 Fe16 N15.9984 O96 -","8","0.166667","","Darago, Lucy E.; Aubrey, Michael L.; Yu, Chung Jui; Gonzalez, Miguel I.; Long, Jeffrey R.","Electronic Conductivity, Ferrimagnetic Ordering, and Reductive Insertion Mediated by Organic Mixed-Valence in a Ferric Semiquinoid Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","50","15703","15711","10.1021/jacs.5b10385","","","0.8856","synchrotron","","0.0834","0.0733","","","0.1966","0.2064","","","","","","1.168","","","","has coordinates,has disorder","240421","2020-10-21","18:00:00",""
"4129765","18.4506","0.0004","10.6276","0.0003","19.3662","0.0005","90","","104.431","0.003","90","","3677.62","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C120 H240 I8 N24 -","8","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0263","0.0234","","","0.0613","0.0634","","","","","","1.026","","","","has coordinates","240422","2020-10-21","18:00:00",""
"4129766","8.8521","0.0003","9.8476","0.0003","9.8497","0.0005","60.102","0.004","69.491","0.004","80.061","0.003","697.17","0.06","120.02","0.1","120.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 Cl N3 -","- C12 H24 Cl N3 -","- C24 H48 Cl2 N6 -","2","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0337","0.0297","","","0.0784","0.081","","","","","","1.05","","","","has coordinates","240423","2020-10-21","18:00:00",""
"4129771","4.8225","0.0004","8.003","0.0005","15.9946","0.001","90","","97.432","0.002","90","","612.12","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N4 O5 S -","- C10 H14 N4 O5 S -","- C20 H28 N8 O10 S2 -","2","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0274","0.0249","","","0.0562","0.0575","","","","","","1.061","","","","has coordinates","240428","2020-10-21","18:00:00",""
"4129772","6.383","0.0002","8.0212","0.0002","22.0071","0.0005","90","","90","","90","","1126.75","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0246","0.0235","","","0.0587","0.0597","","","","","","1.084","","","","has coordinates","240429","2020-10-21","18:00:00",""
"4129773","4.8777","0.0004","7.7049","0.0008","17.0972","0.0015","81.369","0.007","82.83","0.006","72.019","0.007","602.14","0.1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 N4 O5.5 S -","- C10 H13 N4 O5.5 S -","- C20 H26 N8 O11 S2 -","2","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","1.54178","CuKα","","0.0514","0.0458","","","0.1167","0.1202","","","","","","1.034","","","","has coordinates,has disorder","240430","2020-10-21","18:00:00",""
"4129774","6.9429","0.0003","11.0987","0.0004","16.3128","0.0006","90","","90","","90","","1257.02","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 S -","- C10 H14 N4 O6 S -","- C40 H56 N16 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0829","0.0888","","","","","","1.019","","","","has coordinates","240431","2020-10-21","18:00:00",""
"4129775","13.4908","0.0018","18.694","0.003","19.366","0.003","98.2422","0.0018","92.1817","0.0019","108.396","0.0018","4568.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H71 N5 O7 S3 Zn -","- C43 H71 N5 O7 S3 Zn -","- C172 H284 N20 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0588","0.0431","","","0.1087","0.1204","","","","","","1.045","","","","has coordinates","240432","2020-10-21","18:00:00",""
"4129776","9.117","0.002","13.492","0.003","20.272","0.004","97.526","0.003","96.225","0.003","109.087","0.003","2305.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H73 N7 O6 S3 Zn -","- C43 H73 N7 O6 S3 Zn -","- C86 H146 N14 O12 S6 Zn2 -","2","1","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0954","0.0713","","","0.1624","0.1793","","","","","","1.042","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129777","13.579","0.002","18.615","0.003","20.015","0.004","90.555","0.002","100.31","0.002","110.958","0.002","4633.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 N6 O7 S3 Zn -","- C43 H72 N6 O7 S3 Zn -","- C172 H288 N24 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0795","0.0541","","","0.1162","0.1356","","","","","","1.057","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129778","9.3583","0.0012","13.4896","0.0018","19.634","0.003","92.9514","0.0019","97.9613","0.0018","109.139","0.0019","2306.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H142 N10 O15 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","1","0.5","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.1204","0.0864","","","0.1938","0.2157","","","","","","1.066","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129779","14.5774","0.0003","6.8259","0.0002","18.9312","0.0003","90","","91.214","0.003","90","","1883.3","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N3 O -","- C23 H25 N3 O -","- C92 H100 N12 O4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0363","0.0347","","","0.0855","0.087","","","","","","1.054","","","","has coordinates","240433","2020-10-21","18:00:00",""
"4129780","9.612","0.003","13.722","0.004","20.66","0.005","98.779","0.003","100.844","0.004","104.414","0.004","2534.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C124 H104 N16 O16 -","4","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0638","0.0576","","","0.1235","0.1269","","","","","","1.171","","","","has coordinates","240434","2020-10-21","18:00:00",""
"4129781","8.2732","0.0005","9.8942","0.0005","11.5115","0.0006","113.601","0.003","93.988","0.004","95.806","0.004","852.76","0.08","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0635","0.0425","","","0.0986","0.1122","","","","","","1.024","","","","has coordinates","240435","2020-10-21","18:00:00",""
"4129782","13.426","0.002","10.852","0.002","15.863","0.003","90","","100.065","0.004","90","","2275.7","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0891","0.0604","","","0.1357","0.1504","","","","","","1.108","","","","has coordinates,has disorder","240436","2020-10-21","18:00:00",""
"4129783","20.415","0.004","7.2172","0.0012","16.172","0.003","90","","107.535","0.005","90","","2272","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0907","0.0646","","","0.1496","0.1624","","","","","","1.133","","","","has coordinates,has disorder","240437","2020-10-21","18:00:00",""
"4129784","12.6341","0.0005","12.6344","0.0006","21.0063","0.0009","80.013","0.004","80.135","0.004","83.526","0.004","3241.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C168 H176 N16 O8 -","8","4","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0443","0.0403","","","0.1165","0.1215","","","","","","1.037","","","","has coordinates,has disorder","240438","2020-10-21","18:00:00",""
"4129785","7.739","0.0001","12.2403","0.0002","12.9606","0.0002","109.504","0.001","103.014","0.001","104.003","0.001","1058.19","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0384","0.0371","","","0.0923","0.0929","","","","","","1.062","","","","has coordinates","240439","2020-10-21","18:00:00",""
"4129786","19.693","0.0012","5.4137","0.0004","20.9598","0.0013","90","","95.746","0.003","90","","2223.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1185","0.0696","","","0.1782","0.2202","","","","","","1.153","","","","has coordinates,has disorder","240440","2020-10-21","18:00:00",""
"4129787","8.8644","0.0016","16.998","0.003","16.172","0.003","90","","103.813","0.004","90","","2366.3","0.7","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl N2 P2 Rh -","- C22 H32 Cl N2 P2 Rh -","- C88 H128 Cl4 N8 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0396","0.0326","","","0.0687","0.071","","","","","","1.207","","","","has coordinates,has disorder","240441","2020-10-21","18:00:00",""
"4129788","31.962","0.003","9.9135","0.0006","12.5334","0.0011","90","","90","","90","","3971.3","0.6","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H42 Cl N2 O P2 Rh -","- C47 H42 Cl N2 O P2 Rh -","- C188 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0442","0.0411","","","0.0897","0.0919","","","","","","1.08","","","","has coordinates,has disorder","240442","2020-10-21","18:00:00",""
"4129789","20.4234","0.0008","18.1345","0.0007","42.812","0.0017","90","","93.299","0.002","90","","15829.9","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H40 Cl P2 Rh -","- C50 H40 Cl P2 Rh -","- C800 H640 Cl16 P32 Rh16 -","16","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0667","0.0436","","","0.0941","0.101","","","","","","1.083","","","","has coordinates","240443","2020-10-21","18:00:00",""
"4129790","25.467","0.002","5.5885","0.0004","22.635","0.002","90","","100.763","0.005","90","","3164.8","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O -","- C22 H18 O -","- C176 H144 O8 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0503","0.0409","","","0.1032","0.1109","","","","","","1.028","","","","has coordinates","240444","2020-10-21","18:00:00",""
"4129791","10.258","0.002","12.165","0.003","17.216","0.004","91.325","0.003","91.752","0.004","108.4","0.004","2036.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H44 Cl N2 O P2 Rh -","- C49 H44 Cl N2 O P2 Rh -","- C98 H88 Cl2 N4 O2 P4 Rh2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0331","0.0285","","","0.0691","0.0709","","","","","","1.061","","","","has coordinates,has disorder","240445","2020-10-21","18:00:00",""
"4129792","8.1788","0.0003","10.2198","0.0004","11.0688","0.0004","65.187","0.002","89.264","0.002","78.398","0.002","819.96","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O -","- C21 H22 O -","- C42 H44 O2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0626","0.0453","","","0.1118","0.1291","","","","","","1.04","","","","has coordinates","240446","2020-10-21","18:00:00",""
"4129793","9.049","0.003","18.785","0.005","13.924","0.004","90","","103.144","0.006","90","","2304.9","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C108 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1149","0.0676","","","0.1576","0.1866","","","","","","1.003","","","","has coordinates","240447","2020-10-21","18:00:00",""
"4129794","15.473","0.008","15.483","0.007","7.159","0.004","90","","94.355","0.009","90","","1710.1","1.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C68 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1918","0.066","","","0.1332","0.1706","","","","","","0.848","","","","has coordinates","240448","2020-10-21","18:00:00",""
"4129795","8.886","0.002","11.91","0.003","12.36","0.003","87.837","0.006","72.486","0.006","84.691","0.006","1242","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C54 H52 N8 O12 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0531","0.0425","","","0.1093","0.1184","","","","","","0.972","","","","has coordinates","240449","2020-10-21","18:00:00",""
"4129796","8.6034","0.0005","11.4619","0.0007","12.4741","0.0007","90","","99.838","0.002","90","","1212","0.12","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0522","0.0347","","","0.0753","0.0854","","","","","","1.05","","","","has coordinates","240450","2020-10-21","18:00:00",""
"4129797","8.104","0.005","32.55","0.02","8.686","0.005","90","","101.405","0.012","90","","2246","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O4 -","- C25 H22 N4 O4 -","- C100 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1528","0.0606","","","0.1465","0.1882","","","","","","1.011","","","","has coordinates","240451","2020-10-21","18:00:00",""
"4129798","22.625","0.007","5.5352","0.0017","32.006","0.01","90","","101.103","0.007","90","","3933","2","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C208 H192 N16 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0832","0.0578","","","0.1329","0.1472","","","","","","1.043","","","","has coordinates","240452","2020-10-21","18:00:00",""
"4129804","14.654","0.003","7.559","0.002","31.389","0.005","90","","90","","90","","3476.9","1.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0943","0.0458","","","0.0794","0.089","","","","","","1.003","","","","has coordinates","240457","2020-10-21","18:00:00",""
"4129805","6.0234","0.0008","25.185","0.004","10.5237","0.0014","90","","90.087","0.003","90","","1596.4","0.4","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","0.71075","MoKα","","","0.0659","","","","0.1624","","","","","","1.26","","","","has coordinates","240458","2020-10-21","18:00:00",""
"4129806","14.4735","0.0007","9.4794","0.0004","17.0411","0.0008","90","","98.528","0.007","90","","2312.19","0.19","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O3 S -","- C28 H26 N O3 S -","- C112 H104 N4 O12 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0794","0.0683","","","0.2043","0.2149","","","","","","1.001","","","","has coordinates","240459","2020-10-21","18:00:00",""
"4129808","8.5241","0.0003","19.1667","0.0007","11.8169","0.0004","90","","93.125","0.004","90","","1927.76","0.12","149.93","0.18","149.93","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F5 N Si -","- C19 H24 F5 N Si -","- C76 H96 F20 N4 Si4 -","4","1","","Cambeiro, Xacobe C.; Ahlsten, Nanna; Larrosa, Igor","Au-Catalyzed Cross-Coupling of Arenes via Double C-H Activation.","Journal of the American Chemical Society","2015","137","50","15636","15639","10.1021/jacs.5b10593","","","0.71073","MoKα","","0.0665","0.0481","","","0.0969","0.1071","","","","","","1.043","","","","has coordinates","240461","2020-10-21","18:00:00",""
"4129809","4.5914","0.0001","27.2463","0.0005","26.7574","0.0005","90","","90","","90","","3347.31","0.11","123","2","123","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.082","0.0639","","","0.16","0.1714","","","","","","1.15","","","","has coordinates","240462","2020-10-21","18:00:00",""
"4129810","17.7962","0.0011","4.5112","0.0003","11.1382","0.0006","90","","90","","90","","894.2","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0833","0.0758","","","0.1716","0.1769","","","","","","1.202","","","","has coordinates,has disorder","240463","2020-10-21","18:00:00",""
"4129811","11.0774","0.0007","13.8442","0.0008","4.5169","0.0003","90","","90","","90","","692.7","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","INT-1","","","- C4 I2 O2 Pb S2 -","- C4 I2 O2 Pb S2 -","- C8 I4 O4 Pb2 S4 -","2","0.125","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0484","0.047","","","0.1057","0.1079","","","","","","1.193","","","","has coordinates","240464","2020-10-21","18:00:00",""
"4129812","17.9494","0.0009","4.5326","0.0002","11.2165","0.0006","90","","90","","90","","912.55","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0766","0.0646","","","0.136","0.1428","","","","","","1.187","","","","has coordinates","240465","2020-10-21","18:00:00",""
"4129813","4.6216","0.0007","27.455","0.004","26.933","0.004","90","","90","","90","","3417.4","0.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.2054","0.065","","","0.103","0.1278","","","","","","0.713","","","","has coordinates","240466","2020-10-21","18:00:00",""
"4129821","6.6497","0.0008","31.023","0.005","10.1247","0.0012","90","","95.124","0.008","90","","2080.3","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0448","0.0276","","","0.0592","0.0668","","","","","","1.014","","","","has coordinates,has disorder","240474","2020-10-21","18:00:00",""
"4129822","6.5893","0.0007","20.2195","0.0019","7.9262","0.0008","90","","102.405","0.005","90","","1031.37","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0566","0.0548","","","0.1336","0.1343","","","","","","1.54","","","","has coordinates,has disorder","240475","2020-10-21","18:00:00",""
"4129823","10.772","0.001","9.7608","0.0008","13.4616","0.0012","90","","99.003","0.006","90","","1398","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0236","","","0.0528","0.0614","","","","","","1.012","","","","has coordinates,has disorder","240476","2020-10-21","18:00:00",""
"4129824","8.057","0.0003","21.129","0.0007","13.0753","0.0005","90","","99.567","0.002","90","","2194.93","0.14","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0544","0.0328","","","0.0564","0.0621","","","","","","1.016","","","","has coordinates,has disorder","240477","2020-10-21","18:00:00",""
"4129825","7.9438","0.0006","20.923","0.002","13.0731","0.0012","90","","99.508","0.006","90","","2143","0.3","103","2","103","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0242","0.0201","","","0.0359","0.0369","","","","","","1.019","","","","has coordinates","240478","2020-10-21","18:00:00",""
"4129826","8.1831","0.0002","10.6901","0.0003","13.1218","0.0003","90","","99.968","0.001","90","","1130.54","0.05","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0319","0.0183","","","0.0393","0.0441","","","","","","1.036","","","","has coordinates,has disorder","240479","2020-10-21","18:00:00",""
"4129827","8.1324","0.0003","10.6494","0.0004","13.0939","0.0005","90","","99.702","0.002","90","","1117.78","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0216","","","0.0374","0.0421","","","","","","1.007","","","","has coordinates,has disorder","240480","2020-10-21","18:00:00",""
"4129828","6.6529","0.0006","20.388","0.002","8.0414","0.0008","90","","102.832","0.004","90","","1063.49","0.18","296","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0533","0.0265","","","0.0571","0.0657","","","","","","1.005","","","","has coordinates,has disorder","240481","2020-10-21","18:00:00",""
"4129829","10.7352","0.0009","9.6627","0.0006","13.397","0.0012","90","","99.145","0.01","90","","1372.02","0.19","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0689","0.034","","","0.0728","0.087","","","","","","0.992","","","","has coordinates","240482","2020-10-21","18:00:00",""
"4129830","8.547","0.002","9.334","0.002","25.142","0.006","90","","94.81","0.02","90","","1998.7","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F2 I2 N2 -","- C18 H20 F2 I2 N2 -","- C72 H80 F8 I8 N8 -","4","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0519","0.0398","","","0.1022","0.1086","","","","","","1.081","","","","has coordinates,has disorder","240483","2020-10-21","18:00:00",""
"4129831","8.0353","0.0004","21.0755","0.0009","13.084","0.0006","90","","99.573","0.002","90","","2184.89","0.18","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0402","0.0309","","","0.0615","0.065","","","","","","1.02","","","","has coordinates","240484","2020-10-21","18:00:00",""
"4129832","8.0881","0.0003","21.1918","0.0008","13.0834","0.0005","90","","99.594","0.002","90","","2211.15","0.14","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.1076","0.0372","","","0.0594","0.0729","","","","","","0.996","","","","has coordinates,has disorder","240485","2020-10-21","18:00:00",""
"4129833","6.6183","0.001","30.067","0.005","10.0093","0.0016","90","","93.56","0.02","90","","1987.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0329","0.0278","","","0.0548","0.0563","","","","","","1.187","","","","has coordinates","240486","2020-10-21","18:00:00",""
"4129834","7.9746","0.0004","20.9827","0.0009","13.0699","0.0006","90","","99.556","0.001","90","","2156.62","0.17","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0311","0.0259","","","0.0439","0.0454","","","","","","1.01","","","","has coordinates","240487","2020-10-21","18:00:00",""
"4129835","10.7007","0.0006","9.4853","0.0005","13.2984","0.0008","90","","99.438","0.004","90","","1331.51","0.13","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0454","0.0271","","","0.0522","0.0581","","","","","","1.006","","","","has coordinates","240488","2020-10-21","18:00:00",""
"4129836","6.6438","0.0008","30.796","0.004","10.1083","0.0012","90","","93.656","0.009","90","","2064","0.4","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0389","0.0301","","","0.0731","0.0776","","","","","","1.049","","","","has coordinates","240489","2020-10-21","18:00:00",""
"4129837","37.166","0.005","37.166","0.005","30.111","0.006","90","","90","","120","","36020","10","293.15","","293.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O13 Zn4 -","- C39.987 H18.237 O9.9922 Zn2.9974 -","- C319.896 H145.896 O79.9376 Zn23.9792 -","8","0.666667","","Feng, Yongqiang; Wang, Taishan; Li, Yongjian; Li, Jie; Wu, Jingyi; Wu, Bo; Jiang, Li; Wang, Chunru","Steering Metallofullerene Electron Spin in Porous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","47","15055","15060","10.1021/jacs.5b10796","","","0.71073","MoKα","","0.1512","0.1282","","","0.3091","0.3226","","","","","","1.641","","","","has coordinates,has disorder","240490","2020-10-21","18:00:00",""
"4129838","26.5211","0.0007","26.5211","0.0007","39.0679","0.0016","90","","90","","90","","27479.1","1.5","128.9","0.3","128.9","0.3","","","","","","","","5","I 4/m","-I 4","87","","","","- C407 H569 Cu24 N50 O201 -","- C224 H200 Cu24 N8 O144 -","- C448 H400 Cu48 N16 O288 -","2","0.125","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.0966","0.0671","","","0.1853","0.1991","","","","","","0.944","","","","has coordinates","240491","2020-10-21","18:00:00",""
"4129839","24.4095","0.0011","24.6581","0.0015","25.0195","0.0015","64.384","0.006","61.76","0.006","87.652","0.004","11706.2","1.6","127.9","0.6","127.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C320 H582 Cu24 O231.5 S16.5 -","- C201 H150 Cu24 O140 S4.5 -","- C201 H150 Cu24 O140 S4.5 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1426","0.0867","","","0.2298","0.2581","","","","","","0.925","","","","has coordinates,has disorder","240492","2020-10-21","18:00:00",""
"4129840","22.9056","0.0006","24.2276","0.0005","24.8145","0.0006","61.777","0.002","63.599","0.003","77.407","0.002","10867.6","0.6","123.6","0.5","123.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C281 H434 Cu24 O212 S10 -","- C200 H142 Cu24 O138 S3 -","- C200 H142 Cu24 O138 S3 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1114","0.0693","","","0.1686","0.1855","","","","","","0.95","","","","has coordinates,has disorder","240493","2020-10-21","18:00:00",""
"4129842","14.6558","0.0002","13.8575","0.0003","22.2655","0.0004","90","","95.266","0.001","90","","4502.88","0.14","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 B3 Br3 F3 O3 -","- C21 H15 B3 Br3 F3 O3 -","- C168 H120 B24 Br24 F24 O24 -","8","1","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0346","0.0282","","","0.0612","0.0644","","","","","","1.079","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129843","8.1548","0.0003","9.0537","0.0002","10.7095","0.0003","89.663","0.002","89.756","0.001","72.525","0.002","754.19","0.04","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","1","0.5","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0266","0.0247","","","0.0583","0.0602","","","","","","1.061","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129844","8.376","0.004","12.224","0.006","21.474","0.01","86.431","0.008","89.627","0.008","71.394","0.007","2079.5","1.7","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 F3 N O3 S -","- C19 H28 F3 N O3 S -","- C76 H112 F12 N4 O12 S4 -","4","2","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.149","0.0605","","","0.1005","0.1223","","","","","","0.885","","","","has coordinates","240496","2020-10-21","18:00:00",""
"4129845","9.1462","0.0011","9.9402","0.0012","13.454","0.0017","76.519","0.002","77.21","0.002","78.063","0.002","1144.3","0.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 Cl F3 N2 O Pd -","- C21 H20 Cl F3 N2 O Pd -","- C42 H40 Cl2 F6 N4 O2 Pd2 -","2","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.056","0.0401","","","0.084","0.0893","","","","","","0.956","","","","has coordinates","240497","2020-10-21","18:00:00",""
"4129846","9.9716","0.0014","25.875","0.003","9.5523","0.0013","90","","102.985","0.003","90","","2401.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F3 N O3 S -","- C25 H24 F3 N O3 S -","- C100 H96 F12 N4 O12 S4 -","4","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.167","0.0831","","","0.2229","0.2876","","","","","","1.023","","","","has coordinates","240498","2020-10-21","18:00:00",""
"4129850","4.69994","0.00014","9.6731","0.0003","21.1552","0.0006","90","","95.859","0.007","90","","956.75","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C40 H36 F12 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0442","0.042","","","0.1115","0.1131","","","","","","1.159","","","","has coordinates","240502","2020-10-21","18:00:00",""
"4129851","5.36319","0.00014","20.335","0.0005","9.7083","0.0003","90","","91.135","0.006","90","","1058.58","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F4 N3 O3 -","- C22 H23 F4 N3 O3 -","- C44 H46 F8 N6 O6 -","2","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0504","0.0412","","","0.1008","0.1191","","","","","","1.174","","","","has coordinates","240503","2020-10-21","18:00:00",""
"4129852","7.0914","0.0003","26.393","0.0006","8.8755","0.0003","90","","107.452","0.008","90","","1584.7","0.12","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F N2 O -","- C9 H9 F N2 O -","- C72 H72 F8 N16 O8 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0718","0.0489","","","0.0966","0.1018","","","","","","0.877","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4129853","4.9505","0.00011","9.1116","0.0002","22.1601","0.0005","90","","90","","90","","999.58","0.04","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C40 H32 F16 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.064","0.0509","","","0.0979","0.1027","","","","","","0.968","","","","has coordinates","240505","2020-10-21","18:00:00",""
"4129854","18.2815","0.0003","18.3875","0.0003","33.1185","0.0006","90","","96.477","0.007","90","","11061.8","0.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.88 H52.33 Cu F9 N2 O2.38 P3 -","- C59.882 H52.329 Cu F9 N2 O2.382 P3 -","- C479.056 H418.632 Cu8 F72 N16 O19.056 P24 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0988","0.0747","","","0.2173","0.2349","","","","","","1.074","","","","has coordinates","240506","2020-10-21","18:00:00",""
"4129855","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","240507","2020-10-21","18:00:00",""
"4129856","26.8498","0.0013","4.9574","0.0002","17.6053","0.0009","90","","121.882","0.009","90","","1989.8","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C80 H64 F32 N16 O8 -","8","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0869","0.071","","","0.1748","0.186","","","","","","1.042","","","","has coordinates","240508","2020-10-21","18:00:00",""
"4129857","11.4578","","11.6088","","18.7145","","90","","90","","90","","2489.24","","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0696","0.0549","","","0.1607","0.1742","","","","","","1.03","","","","has coordinates","240509","2020-10-21","18:00:00",""
"4129863","10.5923","0.0006","11.5633","0.0006","12.5018","0.0007","90","","98.1413","0.0007","90","","1515.81","0.14","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0632","0.0424","","","0.1065","0.1193","","","","","","1.037","","","","has coordinates","240515","2020-10-21","18:00:00",""
"4129864","10.0498","0.0004","12.6817","0.0005","30.279","0.0013","90","","90","","90","","3859","0.3","88","2","88","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C192 H256 O24 -","8","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0401","0.0372","","","0.0985","0.1013","","","","","","1.021","","","","has coordinates","240516","2020-10-21","18:00:00",""
"4129865","25.3688","0.0007","25.3688","0.0007","25.3688","0.0007","90","","90","","90","","16326.8","0.8","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 O23.81 Zn4 -","- C24 H12 O21.945 Zn4 -","- C192 H96 O175.56 Zn32 -","8","0.666667","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.1159","0.0956","","","0.2501","0.2728","","","","","","1.083","","","","has coordinates,has disorder","240517","2020-10-21","18:00:00",""
"4129866","7.4531","0.0001","13.908","0.0002","12.7717","0.0002","90","","103.22","0.001","90","","1288.8","0.03","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 Zn -","- C13 H13 N O5 Zn -","- C52 H52 N4 O20 Zn4 -","4","1","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.0347","0.0281","","","0.0696","0.0727","","","","","","1.095","","","","has coordinates","240518","2020-10-21","18:00:00",""
"4129867","6.2435","0.0002","8.0069","0.0002","18.0851","0.0004","90","","92.9155","0.0019","90","","902.92","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0597","0.043","","","0.1155","0.1536","","","","","","1.177","","","","has coordinates","240519","2020-10-21","18:00:00",""
"4129868","8.2912","0.0002","6.8967","0.0002","12.5196","0.0003","90","","91.6756","0.0017","90","","715.59","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0555","0.0356","","","0.0727","0.0903","","","","","","1.116","","","","has coordinates","240520","2020-10-21","18:00:00",""
"4129869","5.7254","0.0002","12.2541","0.0005","14.7412","0.0006","81.7527","0.0017","78.9285","0.0017","84.6889","0.0015","1002.24","0.07","150","","150","","","","101","","","","","3","P -1","-P 1","2","","","","- C24 H32 O -","- C24 H32 O -","- C48 H64 O2 -","2","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0753","0.0542","","0.1449","0.1282","0.1449","","","","","","0.9431","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129870","8.7546","0.0002","16.0425","0.0005","12.9888","0.0004","90","","98.1734","0.0013","90","","1805.69","0.09","150","","150","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0627","0.0498","","0.1364","0.1239","0.1362","","","","","","1.0155","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129871","13.2483","0.0007","14.6134","0.001","18.08","0.0018","93.09","0.03","104.28","0.04","116.22","0.02","2989.3","1.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N5 O1.5 Zn -","- C69 H77 N5 O1.5 Zn -","- C138 H154 N10 O3 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1104","0.0842","","","0.2219","0.2458","","","","","","1.033","","","","has coordinates,has disorder","240522","2020-10-21","18:00:00",""
"4129872","11.665","0.002","15.633","0.003","15.927","0.004","104.962","0.007","91.926","0.009","95.774","0.005","2786.4","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 Cl2 N4 O -","- C63 H75 Cl2 N4 O -","- C126 H150 Cl4 N8 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1038","0.0906","","","0.263","0.2763","","","","","","1.01","","","","has coordinates","240523","2020-10-21","18:00:00",""
"4129873","11.8998","0.0018","16.0028","0.0005","16.081","0.0006","64.42","0.03","80.99","0.03","70.34","0.02","2600.9","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 N4 Ni O -","- C62 H71 N4 Ni O -","- C124 H142 N8 Ni2 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0493","0.0409","","","0.1098","0.1171","","","","","","1.013","","","","has coordinates,has disorder","240524","2020-10-21","18:00:00",""
"4129874","9.011","0.006","15.824","0.008","20.375","0.008","70.31","0.04","86.42","0.05","87.73","0.05","2730","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N4 Ni O2 -","- C63 H76 N4 Ni O2 -","- C126 H152 N8 Ni2 O4 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1683","0.0984","","","0.2466","0.3013","","","","","","1.04","","","","has coordinates","240525","2020-10-21","18:00:00",""
"4129875","12.5135","0.0016","13.64","0.0011","18.3923","0.0015","110.787","0.009","99.471","0.014","95.73","0.02","2852","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H79 N4 O2 Zn -","- C66 H79 N4 O2 Zn -","- C132 H158 N8 O4 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0554","0.0453","","","0.117","0.121","","","","","","1.026","","","","has coordinates,has disorder","240526","2020-10-21","18:00:00",""
"4129876","10.13","0.002","16.127","0.004","20.15","0.008","92.98","0.04","97.03","0.06","105.76","0.03","3131.7","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C124.4 H142.8 Cl12.8 N8 Ni2 O2 Sb2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1035","0.057","","","0.1277","0.1506","","","","","","1.003","","","","has coordinates,has disorder","240527","2020-10-21","18:00:00",""
"4129883","16.925","0.004","9.297","0.002","16.995","0.004","90","","114.388","0.004","90","","2435.6","1","130","2","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Co N2 P -","- C27 H36 Co N2 P -","- C108 H144 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.1241","0.0587","","","0.1133","0.1362","","","","","","0.972","","","","has coordinates","240531","2020-10-21","18:00:00",""
"4129884","9.7658","0.0011","12.3604","0.0014","22.998","0.003","90","","92.758","0.002","90","","2772.9","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B3 O6 -","- C26 H43 B3 O6 -","- C104 H172 B12 O24 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0737","0.0522","","","0.1209","0.1323","","","","","","1.017","","","","has coordinates","240532","2020-10-21","18:00:00",""
"4129885","11.0264","0.0013","12.7962","0.0015","13.7945","0.0016","90","","90","","90","","1946.3","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl Co N2 P -","- C19 H27 Cl Co N2 P -","- C76 H108 Cl4 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0457","0.0348","","","0.0813","0.0875","","","","","","1.038","","","","has coordinates","240533","2020-10-21","18:00:00",""
"4129952","13.569","0.004","13.569","0.004","51.339","0.007","90","","90","","120","","8186","4","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C49 H61 Cl3 N6 Na O6 Rh2 -","- C49 H61 Cl2.9998 N6 Na O6 Rh2 -","- C294 H366 Cl17.9988 N36 Na6 O36 Rh12 -","6","0.166667","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.09","0.0644","","","0.125","0.1345","","","","","","1.137","","","","has coordinates","240569","2020-10-21","18:00:00",""
"4129953","8.4392","0.0002","8.5761","0.0002","17.2066","0.0012","77.882","0.006","88.868","0.006","74.123","0.005","1170.2","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N3 O4 Rh -","- C24 H32 N3 O4 Rh -","- C48 H64 N6 O8 Rh2 -","2","1","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.02","0.0189","","","0.0457","0.0462","","","","","","1.066","","","","has coordinates","240570","2020-10-21","18:00:00",""
"4129954","14.7512","0.001","33.1199","0.0006","12.0932","0.0002","90","","103.836","0.007","90","","5736.8","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F6 N3 O3 Rh Sb -","- C24 H30 F6 N3 O3 Rh Sb -","- C192 H240 F48 N24 O24 Rh8 Sb8 -","8","2","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","1.54187","CuKα","","0.064","0.0555","","","0.125","0.1298","","","","","","1.128","","","","has coordinates,has disorder","240571","2020-10-21","18:00:00",""
"4339977","21.3259","0.0014","21.3259","0.0014","14.1254","0.0009","90","","90","","120","","5563.5","0.6","293","","293","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Au0.987 Cd4.07 -","- Au0.986667 Cd4.06989 -","- Au53.28 Cd219.774 -","54","4.5","","Jana, Partha P.; Lidin, Sven","AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks.","Inorganic chemistry","2015","54","3","713","721","10.1021/ic500616t","","x-ray","0.7107","MoKα","","0.0982","0.0435","","","0.0769","0.098","","","","1.14","1.14","1.09","","","","has coordinates","288070","2023-12-06","12:53:07",""
"4339978","21.34","0.003","21.34","0.003","14.1212","0.0017","90","","90","","120","","5569.2","1.3","293","","293","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Au0.975 Cd4.088 -","- Au0.975667 Cd4.08685 -","- Au52.686 Cd220.69 -","54","4.5","","Jana, Partha P.; Lidin, Sven","AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks.","Inorganic chemistry","2015","54","3","713","721","10.1021/ic500616t","","x-ray","0.7107","MoKα","","0.0874","0.0379","","","0.0651","0.0829","","","","1.12","1.12","1.09","","","","has coordinates","288070","2023-12-06","12:53:34",""
"4340057","4.1471","0.0016","16.46","0.006","3.9711","0.0015","90","","90","","90","","271.07","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.22 Gd Ge2 -","- Al0.22 Gd Ge2 -","- Al0.88 Gd4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.03","0.0246","","","0.0516","0.0531","","","","","","1.094","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340058","4.1499","0.0011","16.334","0.004","3.9712","0.001","90","","90","","90","","269.19","0.12","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.21 Ge2 Tb -","- Al0.21 Ge2 Tb -","- Al0.84 Ge8 Tb4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0283","0.0231","","","0.0547","0.0574","","","","","","1.119","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340059","4.0823","0.0008","16.218","0.003","3.933","0.0007","90","","90","","90","","260.39","0.08","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.17 Dy Ge2 -","- Al0.17 Dy Ge2 -","- Al0.68 Dy4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0212","0.0207","","","0.0527","0.0529","","","","","","1.207","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340060","4.073","0.003","16.097","0.01","3.927","0.003","90","","90","","90","","257.5","0.3","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.16 Ge2 Ho -","- Al0.16 Ge2 Ho -","- Al0.64 Ge8 Ho4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0223","0.0207","","","0.0467","0.0473","","","","","","1.149","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340061","4.0656","0.0015","16.018","0.006","3.9199","0.0014","90","","90","","90","","255.27","0.16","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.15 Er Ge2 -","- Al0.15 Er Ge2 -","- Al0.6 Er4 Ge8 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0181","0.017","","","0.0371","0.038","","","","","","1.16","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340062","4.0353","0.001","15.875","0.004","3.8983","0.0009","90","","90","","90","","249.73","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.13 Ge2 Tm -","- Al0.12 Ge2 Tm -","- Al0.48 Ge8 Tm4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0206","0.0202","","","0.0449","0.045","","","","","","1.09","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340063","4.0097","0.0007","15.708","0.003","3.8766","0.0007","90","","90","","90","","244.17","0.08","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.1 Ge2 Lu -","- Al0.1 Ge2 Lu -","- Al0.4 Ge8 Lu4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.0171","0.0159","","","0.0394","0.0399","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340064","4.1059","0.001","16.301","0.004","3.9465","0.001","90","","90","","90","","264.14","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al0.17 Ge2 Y -","- Al0.17 Ge2 Y -","- Al0.68 Ge8 Y4 -","4","0.25","","Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen","Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering.","Inorganic chemistry","2015","54","3","722","732","10.1021/ic501002j","","","0.71073","MoKα","","0.026","0.0248","","","0.0585","0.0589","","","","","","1.263","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340142","15.912","0.002","15.912","0.002","31.831","0.006","90","","90","","90","","8059","2","293","2","293","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Li44 Sr19 -","- Li44 Sr19 -","- Li176 Sr76 -","4","0.25","","Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt","Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram.","Inorganic chemistry","2015","54","3","733","739","10.1021/ic5010165","","","0.71073","MoKα","","0.1134","0.0507","","","0.0852","0.1052","","","","","","0.935","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340143","9.8034","0.0014","9.8034","0.0014","8.7837","0.0018","90","","90","","90","","844.2","0.2","293","2","293","2","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Li2 Sr3 -","- Li2 Sr3 -","- Li8 Sr12 -","4","0.25","","Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt","Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram.","Inorganic chemistry","2015","54","3","733","739","10.1021/ic5010165","","","0.71073","MoKα","","0.0655","0.0379","","","0.0733","0.0797","","","","","","1.018","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4340716","13.9328","0.0011","4.2455","0.0003","23.296","0.0019","90","","97.954","0.006","90","","1364.74","0.18","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead Bismuth Selenide (7/4/13)","","- Bi4 Pb7 Se13 -","- Bi4 Pb7 Se13 -","- Bi8 Pb14 Se26 -","2","0.25","","Olvera, Alan; Shi, Guangsha; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Kioupakis, Emmanouil; Poudeu, Pierre F. P.","Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties.","Inorganic chemistry","2015","54","3","746","755","10.1021/ic501327u","","","0.71073","MoKα","","0.0292","0.0292","","","0.074","0.074","","","","","","1.126","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340717","13.991","0.003","4.2619","0.0009","23.432","0.005","90","","98.31","0.03","90","","1382.5","0.5","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lead Bismuth Selenide (7/4/13)","","- Bi4 Pb7 Se13 -","- Bi4 Pb7 Se13 -","- Bi8 Pb14 Se26 -","2","0.25","","Olvera, Alan; Shi, Guangsha; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Kioupakis, Emmanouil; Poudeu, Pierre F. P.","Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties.","Inorganic chemistry","2015","54","3","746","755","10.1021/ic501327u","","","0.71073","MoKα","","0.0291","0.0291","","","0.0734","0.0734","","","","","","1.176","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340863","9.9595","0.0004","9.4423","0.0003","4.8186","0.0002","90","","90","","90","","453.14","0.03","100","2","100.03","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F4 H2 Na O2 V -","- F4 H2 Na O2 V -","- F16 H8 Na4 O8 V4 -","4","1","","Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.","Inorganic chemistry","2015","54","3","765","772","10.1021/ic501486x","","","0.71073","MoKα","","0.0121","0.0117","","","0.0326","0.0329","","","","","","1.16","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340864","6.3742","0.0003","3.5963","0.0002","14.3641","0.0007","90","","110.787","0.003","90","","307.84","0.03","100","2","100.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F4.67 Na2 O3.33 V2 -","- F4.6666 Na2 O3.3334 V2 -","- F9.3332 Na4 O6.6668 V4 -","2","1","","Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.","Inorganic chemistry","2015","54","3","765","772","10.1021/ic501486x","","","0.71073","MoKα","","0.053","0.0331","","","0.0859","0.1014","","","","","","1.011","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341027","10.6928","0.0008","12.0462","0.0009","12.1372","0.0009","60.9538","0.0008","79.5414","0.0009","88.4501","0.0009","1340.63","0.17","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H88 N4 O2 S2 Si8 Y2 -","- C32 H88 N4 O2 S2 Si8 Y2 -","- C32 H88 N4 O2 S2 Si8 Y2 -","1","0.5","","Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J.","Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex.","Inorganic chemistry","2015","54","3","801","807","10.1021/ic501753x","","","0.71073","MoKα","","0.0569","0.0471","","","0.1176","0.1232","","","","","","1.039","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341028","8.8099","0.0005","10.0494","0.0006","23.8094","0.0014","101.062","0.0008","90.9696","0.0008","101.795","0.0008","2021.6","0.2","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H62 N3 O S3 Si6 Y -","- C22 H62 N3 O S3 Si6 Y -","- C44 H124 N6 O2 S6 Si12 Y2 -","2","1","","Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J.","Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex.","Inorganic chemistry","2015","54","3","801","807","10.1021/ic501753x","","","0.71073","MoKα","","0.0513","0.0365","","","0.0753","0.0805","","","","","","1.03","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341029","10.8331","0.0009","11.9995","0.001","12.0793","0.001","61.5418","0.0009","80.0644","0.001","87.4348","0.001","1358.5","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H88 N4 O2 Se2 Si8 Y2 -","- C32 H88 N4 O2 Se2 Si8 Y2 -","- C32 H88 N4 O2 Se2 Si8 Y2 -","1","0.5","","Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J.","Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex.","Inorganic chemistry","2015","54","3","801","807","10.1021/ic501753x","","","0.71073","MoKα","","0.0466","0.0324","","","0.0727","0.0773","","","","","","1.039","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341030","10.429","0.004","12.16","0.004","12.166","0.004","61.535","0.004","80.236","0.005","89.078","0.005","1332.9","0.8","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H88 N4 O2 S Si8 Y2 -","- C32 H88 N4 O2 S Si8 Y2 -","- C32 H88 N4 O2 S Si8 Y2 -","1","0.5","","Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J.","Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex.","Inorganic chemistry","2015","54","3","801","807","10.1021/ic501753x","","","0.71073","MoKα","","0.0625","0.0413","","","0.0922","0.1002","","","","","","1.013","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341031","10.4237","0.0008","12.1502","0.001","12.1856","0.001","61.9739","0.0009","88.8205","0.001","80.5568","0.001","1341.03","0.19","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H88 N4 O2 Se Si8 Y2 -","- C32 H88 N4 O2 Se Si8 Y2 -","- C32 H88 N4 O2 Se Si8 Y2 -","1","0.5","","Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J.","Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex.","Inorganic chemistry","2015","54","3","801","807","10.1021/ic501753x","","","0.71073","MoKα","","0.0329","0.0279","","","0.0677","0.0699","","","","","","1.045","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341104","14.6078","0.0004","15.241","0.0006","25.4038","0.0008","90","","94.884","0.002","90","","5635.3","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H118 Dy4 N10 O46 -","- C104 H100 Dy4 N10 O46 -","- C208 H200 Dy8 N20 O92 -","2","0.5","","Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.","Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.","Inorganic chemistry","2015","54","3","773","781","10.1021/ic5014957","","","0.71073","MoKα","","0.0839","0.0591","","","0.1443","0.1598","","","","","","0.947","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341105","23.955","0.005","14.6","0.003","16.93","0.003","90","","134.97","0.03","90","","4189","3","150","2","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 N5 O18 Y -","- C42 H40 N5 O18 Y -","- C168 H160 N20 O72 Y4 -","4","0.5","","Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.","Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.","Inorganic chemistry","2015","54","3","773","781","10.1021/ic5014957","","","0.71073","MoKα","","0.0926","0.0549","","","0.1232","0.1337","","","","","","0.885","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341106","14.035","0.003","25.654","0.005","17.38","0.007","90","","123.94","0.02","90","","5192","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 Dy N5 O21 -","- C45 H56 Dy N5 O21 -","- C180 H224 Dy4 N20 O84 -","4","1","","Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.","Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.","Inorganic chemistry","2015","54","3","773","781","10.1021/ic5014957","","","0.71073","MoKα","","0.0925","0.0728","","","0.1863","0.1929","","","","","","1.128","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341107","12.2239","0.0005","16.5807","0.0005","18.8528","0.0008","90","","92.471","0.0003","90","","3817.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N6 O34 Y4 -","- C64 H66 N6 O34 Y4 -","- C128 H132 N12 O68 Y8 -","2","0.5","","Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.","Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.","Inorganic chemistry","2015","54","3","773","781","10.1021/ic5014957","","","0.71073","MoKα","","0.0836","0.0558","","","0.1346","0.1467","","","","","","1.032","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341108","12.262","0.003","16.562","0.003","18.889","0.004","90","","92.6","0.03","90","","3832.1","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H92 Dy4 N6 O38 -","- C65 H92 Dy4 N6 O38 -","- C130 H184 Dy8 N12 O76 -","2","0.5","","Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.","Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.","Inorganic chemistry","2015","54","3","773","781","10.1021/ic5014957","","","0.71073","MoKα","","0.0346","0.0289","","","0.067","0.069","","","","","","1.068","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341155","33.329","0.007","15.599","0.003","4.2237","0.0008","90","","90","","90","","2195.9","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Bi Eu Se3 -","- Bi Eu Se3 -","- Bi16 Eu16 Se48 -","16","4","","Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij","Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases.","Inorganic chemistry","2015","54","3","815","820","10.1021/ic501808y","","","0.71073","MoKα","","0.1357","0.0603","","","0.1078","0.1335","","","","","","0.853","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341156","32.922","0.007","15.407","0.003","4.2573","0.0009","90","","90","","90","","2159.4","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Eu Sb Se3 -","- Eu Sb Se3 -","- Eu16 Sb16 Se48 -","16","4","","Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij","Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases.","Inorganic chemistry","2015","54","3","815","820","10.1021/ic501808y","","","0.71073","MoKα","","0.1096","0.0644","","","0.1502","0.1954","","","","","","1.035","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341200","11.7888","0.0001","11.7888","0.0001","16.9818","0.0003","90","","90","","90","","2360.06","0.05","293","","293","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ga4.974 Ta4.013 -","- Ga4.9736 Ta4.0132 -","- Ga79.5776 Ta64.2112 -","16","1","","Fredrickson, Rie T.; Kilduff, Brandon J.; Fredrickson, Daniel C.","Homoatomic Clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): A Story of Reluctant Intermetallics Crystallizing in a New Binary Structure Type.","Inorganic chemistry","2015","54","3","821","831","10.1021/ic501966v","","x-ray","0.71069","MoKα","","0.0244","0.0156","","","0.0341","0.0377","","","","1.58","1.58","1.59","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341201","11.817","0.004","11.817","0.004","17.108","0.01","90","","90","","90","","2389","1.8","293","","293","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ga5 Nb4 -","- Ga5 Nb4 -","- Ga80 Nb64 -","16","1","","Fredrickson, Rie T.; Kilduff, Brandon J.; Fredrickson, Daniel C.","Homoatomic Clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): A Story of Reluctant Intermetallics Crystallizing in a New Binary Structure Type.","Inorganic chemistry","2015","54","3","821","831","10.1021/ic501966v","","x-ray","0.71073","MoKα","","0.0289","0.0172","","","0.0386","0.0423","","","","1.07","1.07","1.03","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341202","11.78","0.0001","11.78","0.0001","16.9547","0.0002","90","","90","","90","","2352.78","0.04","293","","293","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ga4.964 Mo0.076 Ta3.942 -","- Ga4.964 Mo0.0756 Ta3.9424 -","- Ga79.424 Mo1.2096 Ta63.0784 -","16","1","","Fredrickson, Rie T.; Kilduff, Brandon J.; Fredrickson, Daniel C.","Homoatomic Clustering in T4Ga5 (T = Ta, Nb, Ta/Mo): A Story of Reluctant Intermetallics Crystallizing in a New Binary Structure Type.","Inorganic chemistry","2015","54","3","821","831","10.1021/ic501966v","","x-ray","0.71069","MoKα","","0.0223","0.02","","","0.0656","0.0787","","","","2.29","2.29","2.68","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341307","13.8739","0.0013","24.878","0.002","26.401","0.002","90","","96.353","0.004","90","","9056.5","1.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H118 Bi7 K3 N8 O18 -","- C64 H118 Bi7 K3 N8 O18 -","- C256 H472 Bi28 K12 N32 O72 -","4","1","","Perla, Luis G.; Oliver, Allen G.; Sevov, Slavi C.","Bi7(3-): the missing family member, finally isolated and characterized.","Inorganic chemistry","2015","54","3","872","875","10.1021/ic502158e","","","0.71073","MoKα","","0.0901","0.0636","","","0.139","0.1541","","","","","","1.201","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341380","26.5666","","26.5666","","7.0156","","90","","90","","120","","4288.12","","293","","293","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Bi4 Ir -","- Bi4 Ir -","- Bi108 Ir27 -","27","0.75","","Isaeva, Anna; Ruck, Michael; Schäfer, Konrad; Rodewald, Ute Ch; Pöttgen, Rainer","Structure and Bonding of Bi4Ir: A Difficult-to-Access Bismuth Iridide with a Unique Framework Structure.","Inorganic chemistry","2015","54","3","885","889","10.1021/ic502205k","","x-ray","0.71069","MoKα","","0.0921","0.028","","","0.044","0.0576","","","","0.74","0.74","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341391","12.667","0.002","3.8119","0.0007","10.895","0.002","90","","90","","90","","526.07","0.16","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gadolinium manganese copper phosphide (1/1/4/3)","gadolinium manganese copper phosphide (1/1/4/3)","","- Cu4 Gd Mn P3 -","- Cu4 Gd Mn P3 -","- Cu16 Gd4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0208","0.0191","","","0.045","0.046","","","","","","1.052","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341392","12.6535","0.0004","3.7955","0.0001","10.8761","0.0003","90","","90","","90","","522.34","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","terbium manganese copper phosphide (1/1/4/3)","terbium manganese copper phosphide (1/1/4/3)","","- Cu4 Mn P3 Tb -","- Cu4 Mn P3 Tb -","- Cu16 Mn4 P12 Tb4 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0209","0.02","","","0.0447","0.0451","","","","","","1.097","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341393","12.6485","0.0004","3.7841","0.0001","10.868","0.0003","90","","90","","90","","520.18","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dysprosium manganese copper phosphide (1/1/4/3)","dysprosium manganese copper phosphide (1/1/4/3)","","- Cu4 Dy Mn P3 -","- Cu4 Dy Mn P3 -","- Cu16 Dy4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0226","0.0221","","","0.0509","0.0512","","","","","","1.168","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341394","12.6489","0.0004","3.7755","0.0001","10.8632","0.0004","90","","90","","90","","518.78","0.03","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","holmium manganese copper phosphide (1/1/4/3)","holmium manganese copper phosphide (1/1/4/3)","","- Cu4 Ho Mn P3 -","- Cu4 Ho Mn P3 -","- Cu16 Ho4 Mn4 P12 -","4","0.5","","Ramachandran, Krishna K.; Stoyko, Stanislav S.; Mullen, C. Scott; Mar, Arthur","Rare-Earth Manganese Copper Phosphides REMnCu4P3 (RE = Gd-Ho): The First Quaternary Ordered Variants of the YCo5P3-Type Structure.","Inorganic chemistry","2015","54","3","860","866","10.1021/ic502075x","","","0.71073","MoKα","","0.0183","0.0162","","","0.0345","0.0351","","","","","","1.073","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341399","22.939","0.003","12.9429","0.0019","4.7455","0.0007","90","","90","","90","","1408.9","0.3","90","2","90","2","","","","","","","","4","P b a m","-P 2 2ab","55","Europium Cadmium/Gold Antimonide","","","- Au1.24 Cd3.79 Eu9 Sb9 -","- Au1.2326 Cd3.788 Eu9 Sb9 -","- Au2.4652 Cd7.576 Eu18 Sb18 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Klobes, Benedikt; Hermann, Raphaël P; Kauzlarich, Susan M.","Eu9Cd4-xCM2+x-y□ySb9: Ca9Mn4Bi9-Type Structure Stuffed with Coinage Metals (Cu, Ag, and Au) and the Challenges with Classical Valence Theory in Describing These Possible Zintl Phases.","Inorganic chemistry","2015","54","3","850","859","10.1021/ic502061w","","","0.71073","MoKα","","0.0199","0.0195","","","0.0399","0.0401","","","","","","1.3","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341400","23.0077","0.0015","12.9074","0.0009","4.76","0.0003","90","","90","","90","","1413.58","0.16","90","2","90","2","","","","","","","","4","P b a m","-P 2 2ab","55","Europium Cadmium/Silver Antimonide","","","- Ag1.14 Cd3.97 Eu9 Sb9 -","- Ag1.1456 Cd3.974 Eu9 Sb9 -","- Ag2.2912 Cd7.948 Eu18 Sb18 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Klobes, Benedikt; Hermann, Raphaël P; Kauzlarich, Susan M.","Eu9Cd4-xCM2+x-y□ySb9: Ca9Mn4Bi9-Type Structure Stuffed with Coinage Metals (Cu, Ag, and Au) and the Challenges with Classical Valence Theory in Describing These Possible Zintl Phases.","Inorganic chemistry","2015","54","3","850","859","10.1021/ic502061w","","","0.71073","MoKα","","0.0157","0.0139","","","0.0257","0.0265","","","","","","1.14","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341401","22.8479","0.001","12.9197","0.0006","4.7199","0.0002","90","","90","","90","","1393.26","0.11","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","Europium Cadmium/copper Antimonide","","","- Cd3.71 Cu1.47 Eu9 Sb9 -","- Cd3.698 Cu1.47 Eu9 Sb9 -","- Cd7.396 Cu2.94 Eu18 Sb18 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Klobes, Benedikt; Hermann, Raphaël P; Kauzlarich, Susan M.","Eu9Cd4-xCM2+x-y□ySb9: Ca9Mn4Bi9-Type Structure Stuffed with Coinage Metals (Cu, Ag, and Au) and the Challenges with Classical Valence Theory in Describing These Possible Zintl Phases.","Inorganic chemistry","2015","54","3","850","859","10.1021/ic502061w","","","0.71073","MoKα","","0.0206","0.0176","","","0.032","0.0329","","","","","","1.107","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341413","5.7881","0.0018","5.7881","0.0018","7.353","0.002","90","","90","","90","","246.34","0.13","90","2","90","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Cu4 La P3 -","- Cu4 La P3 -","- Cu8 La2 P6 -","2","0.125","","Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Distorted Phosphorus and Copper Square-Planar Layers in LaCu1+xP2 and LaCu4P3: Synthesis, Crystal Structure, and Physical Properties.","Inorganic chemistry","2015","54","3","890","897","10.1021/ic502234w","","","0.71073","MoKα","","0.0241","0.0239","","","0.0597","0.06","","","","","","1.484","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341414","5.564","0.003","19.959","0.011","5.563","0.003","90","","90","","90","","617.8","0.6","90","2","90","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Cu1.09 La P2 -","- Cu1.093 La P2.003 -","- Cu8.744 La8 P16.024 -","8","0.5","","Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Distorted Phosphorus and Copper Square-Planar Layers in LaCu1+xP2 and LaCu4P3: Synthesis, Crystal Structure, and Physical Properties.","Inorganic chemistry","2015","54","3","890","897","10.1021/ic502234w","","","0.71073","MoKα","","0.0228","0.0122","","","0.0267","0.0323","","","","","","1.122","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341423","3.6798","0.0001","3.6798","0.0001","10.496","0.001","90","","90","","120","","123.084","0.013","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C0.33 Al O3.66 Y -","- C0.33 Al0.99999 O3.66 Y -","- C0.66 Al1.99998 O7.32 Y2 -","2","0.0833333","","Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.","True Composition and Structure of Hexagonal ""YAlO3"", Actually Y3Al3O8CO3.","Inorganic chemistry","2015","54","3","837","844","10.1021/ic502027k","powder diffraction","","1.5402","neutron","","0.0251","0.0243","","","0.0294","0.0303","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341424","3.7076","0.0001","3.7076","0.0001","10.552","0.001","90","","90","","120","","125.618","0.013","300","2","300","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C0.33 Al O3.66 Y -","- C0.34 Al0.99999 O3.68 Y -","- C0.68 Al1.99998 O7.36 Y2 -","2","0.0833333","","Li, Jun; Smith, Andrew E.; Jiang, Peng; Stalick, Judith K.; Sleight, Arthur W.; Subramanian, M. A.","True Composition and Structure of Hexagonal ""YAlO3"", Actually Y3Al3O8CO3.","Inorganic chemistry","2015","54","3","837","844","10.1021/ic502027k","powder diffraction","","1.5402","neutron","","0.0364","0.0326","","","0.0403","0.0455","","","","","","1.552","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341440","11.1447","0.0007","11.1447","0.0007","11.1447","0.0007","90","","90","","90","","1384.22","0.15","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C18 H4 Ba12 In -","- C18 H4 Ba12 In -","- C36 H8 Ba24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.0178","0.0178","","","0.0447","0.0447","","","","","","1.272","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341441","9.6055","0.0008","9.6055","0.0008","9.6055","0.0008","90","","90","","90","","886.26","0.13","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C11.7 H0 Ca12 In -","- C11.7 Ca12 In -","- C23.4 Ca24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.026","0.0199","","","0.0382","0.0397","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341442","9.6055","0.0008","9.6055","0.0008","9.6055","0.0008","90","","90","","90","","886.26","0.13","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C11.45 H1.55 Ca12 In -","- C11.44 H1.56 Ca12 In -","- C22.88 H3.12 Ca24 In2 -","2","0.0416667","","Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.","Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).","Inorganic chemistry","2015","54","3","914","921","10.1021/ic502315m","","","0.71073","MoKα","","0.0259","0.0198","","","0.0381","0.0396","","","","","","1.089","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341586","14.0933","0.0003","10.3228","0.0002","11.8169","0.0002","90","","93.906","0.003","90","","1715.16","0.06","298","","298","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Br11 P W4 -","- Br11 P W4 -","- Br44 P4 W16 -","4","0.5","","Ströbele, Markus; Eichele, Klaus; Meyer, Hans-Jürgen","Cluster Harvesting in the WBr6-P System.","Inorganic chemistry","2015","54","3","989","992","10.1021/ic502333u","powder diffraction","","1.5406","CuKalpha1","","","","","","","","","4.0859","1.15966","","","","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341594","15.4651","0.0009","15.4651","0.0009","9.3898","0.0006","90","","90","","120","","1944.9","0.2","296","2","296","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ca30 Li3.44 Zn59.56 -","- Ca30 Li3.444 Zn59.556 -","- Ca30 Li3.444 Zn59.556 -","1","0.0416667","","Lin, Qisheng","Lithiation-Induced Zinc Clustering of Zn3, Zn12, and Zn18 Units in Zintl-Like Caσim 30Li3+xZn60-x (x = 0.44-1.38).","Inorganic chemistry","2015","54","3","922","929","10.1021/ic502326j","","","0.71073","MoKα","","0.046","0.0294","","","0.0658","0.0719","","","","","","1.118","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341595","15.524","0.003","15.524","0.003","9.413","0.002","90","","90","","120","","1964.6","0.7","296","2","296","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ca30.45 Li4.38 Zn58.62 -","- Ca30.454 Li4.38 Zn58.62 -","- Ca30.454 Li4.38 Zn58.62 -","1","0.0416667","","Lin, Qisheng","Lithiation-Induced Zinc Clustering of Zn3, Zn12, and Zn18 Units in Zintl-Like Caσim 30Li3+xZn60-x (x = 0.44-1.38).","Inorganic chemistry","2015","54","3","922","929","10.1021/ic502326j","","","0.71073","MoKα","","0.0548","0.0296","","","0.0552","0.0616","","","","","","1.027","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341628","13.8331","0.0004","14.6798","0.0003","15.7557","0.0005","69.16","0.003","71.318","0.003","87.719","0.002","2822.65","0.16","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C8 H99.6 Mn2.4 N4 Na12 O120 Sb2 W19.6 -","- C8 H6 Mn2.402 N4 Na12.018 O120.22 Sb2 W19.598 -","- C8 H6 Mn2.402 N4 Na12.018 O120.22 Sb2 W19.598 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0503","0.0468","","","0.1228","0.1264","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341629","13.6242","0.0007","14.7481","0.0006","15.662","0.0009","68.763","0.005","71.84","0.005","87.406","0.004","2779","0.3","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C8 H99.6 Co2.4 N4 Na12 O120 Sb2 W19.6 -","- C8 H6 Co2.364 N4 Na12 O119.96 Sb2 W19.636 -","- C8 H6 Co2.364 N4 Na12 O119.96 Sb2 W19.636 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","1.54184","CuKα","","0.0706","0.0488","","","0.1201","0.1336","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341630","16.2173","0.0003","27.2085","0.0003","13.0112","0.0002","90","","108.999","0.002","90","","5428.42","0.16","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C7.2 H97.2 N3.6 Na12 Ni1.8 O120 Sb2 W20.2 -","- C7.096 H5.322 N3.548 Na9.7 Ni1.774 O112.548 Sb2 W20.226 -","- C14.192 H10.644 N7.096 Na19.4 Ni3.548 O225.096 Sb4 W40.452 -","2","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0398","0.0342","","","0.0704","0.0726","","","","","","1.091","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341631","13.845","0.0004","14.6579","0.0004","15.7431","0.0004","68.89","0.002","70.831","0.002","87.242","0.002","2806.29","0.14","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C7.2 H97.2 N3.6 Na12 O120 Sb2 W20.2 Zn1.8 -","- C7.528 H5.646 N3.764 Na12 O120.064 Sb2 W20.118 Zn1.882 -","- C7.528 H5.646 N3.764 Na12 O120.064 Sb2 W20.118 Zn1.882 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.028","0.0253","","","0.0555","0.0566","","","","","","1.093","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341632","12.2348","0.0003","13.6081","0.0004","17.2882","0.0004","91.583","0.002","98.057","0.002","106.723","0.002","2722.39","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C8 H88 K3 Mn2 N4 Na7 O115 Te2 W20 -","- C8 H6 K3.2 Mn2 N4 Na5.4 O107.8 Te2 W20 -","- C8 H6 K3.2 Mn2 N4 Na5.4 O107.8 Te2 W20 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0566","0.0517","","","0.1317","0.1369","","","","","","1.091","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341633","12.1725","0.0004","13.566","0.0004","17.1425","0.0005","91.535","0.003","98.099","0.003","107.057","0.003","2672.32","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C8 H88.8 Co2.2 K3 N4 Na7 O115 Te2 W19.8 -","- C8 H6 Co2.23 K3 N4 Na5.6 O107.2 Te2 W19.77 -","- C8 H6 Co2.23 K3 N4 Na5.6 O107.2 Te2 W19.77 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","0.71073","MoKα","","0.0531","0.0481","","","0.1246","0.1286","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341634","12.9079","0.0004","15.4074","0.0005","16.0861","0.0005","63.706","0.003","71.705","0.003","77.412","0.003","2711.45","0.17","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C8 H90 K2.4 N4 Na7.6 Ni2 O116 Te2 W20 -","- C8 H6 K2.4 N4 Na7.6 Ni2 O112.6 Te2 W20 -","- C8 H6 K2.4 N4 Na7.6 Ni2 O112.6 Te2 W20 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0476","0.0423","","","0.1019","0.1062","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341635","12.203","0.0004","13.3843","0.0005","17.3303","0.0004","91.809","0.003","99.309","0.002","104.266","0.003","2699.56","0.15","100.1","0.4","100.1","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C8 H82 K4 N4 Na8 Ni2 O112 Sb2 W20 -","- C8 H6 K4 N4 Na8 Ni2 O112 Sb2 W20 -","- C8 H6 K4 N4 Na8 Ni2 O112 Sb2 W20 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","0.71073","MoKα","","0.0651","0.0587","","","0.1613","0.1685","","","","","","1.077","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341636","12.2033","0.0004","15.0427","0.0004","15.8975","0.0005","73.22","0.002","78.478","0.003","67.035","0.003","2560.02","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C9 H74 Co2 K6 N3.6 Na6 O108 Sb2 W20 -","- C9.5 H5.7 Co2.018 K3.8 N3.8 Na5.8 O105.7 Sb2 W19.982 -","- C9.5 H5.7 Co2.018 K3.8 N3.8 Na5.8 O105.7 Sb2 W19.982 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","0.71073","MoKα","","0.0405","0.0353","","","0.0801","0.0831","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341637","12.2715","0.0003","15.9492","0.0006","16.0131","0.0005","65.534","0.003","67.844","0.003","78.232","0.002","2637.79","0.16","100","2","100","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C8 H74.4 K6 N3.2 Na6 O109 Sb2 W20.4 Zn1.6 -","- C8.35 H5.01 K4.8 N3.34 Na2 O103.67 Sb2 W20.33 Zn1.67 -","- C8.35 H5.01 K4.8 N3.34 Na2 O103.67 Sb2 W20.33 Zn1.67 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0425","0.0384","","","0.0943","0.0969","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341638","23.7929","0.0004","22.7751","0.0003","19.6239","0.0003","90","","110.799","0.0018","90","","9940.9","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- H66.8 K4 Na6 O104.6 Sb2 W20.6 Zn1.4 -","- K4 Na6 O104.6 Sb2 W20.604 Zn1.396 -","- K16 Na24 O418.4 Sb8 W82.416 Zn5.584 -","4","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","x-ray","0.71073","MoKα","","0.0449","0.0392","","","0.0946","0.0979","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341639","5.0874","0.0001","11.4002","0.0003","9.288","0.0002","90","","96.932","0.002","90","","534.74","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-<i>trans</i>-bis(pyrazole-3-carboxylate-κ^2^<i>N</i>,<i>O</i>) cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C16 H20 Co2 N8 O12 -","2","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","0.71073","MoKα","","0.0254","0.0229","","","0.054","0.0555","","","","","","1.079","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341640","5.0879","0.0003","11.2855","0.0006","9.2686","0.0006","90","","97.216","0.006","90","","527.98","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-<i>trans</i>-bis(pyrazole-3-carboxylate-κ^2^<i>N</i>,<i>O</i>) nickel(II)","","- C8 H10 N4 Ni O6 -","- C8 H10 N4 Ni O6 -","- C16 H20 N8 Ni2 O12 -","2","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","1.54184","CuKα","","0.0297","0.0244","","","0.0607","0.0632","","","","","","1.077","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341641","5.5524","0.0005","7.1608","0.0008","9.4616","0.0009","81.68","0.009","88.202","0.008","70.571","0.009","350.98","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Co N4 O8 -","- C10 H14 Co N4 O8 -","- C10 H14 Co N4 O8 -","1","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Vitoria, Pablo; Pache, Aroa; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M","Functionalization of krebs-type polyoxometalates with n,o-chelating ligands: a systematic study.","Inorganic chemistry","2015","54","1","241","252","10.1021/ic502232v","","","0.7107","MoKα","","0.0375","0.0324","","","","0.0681","","","","","","1.024","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341656","12.4591","0.0005","14.3798","0.0006","4.0241","0.0001","90","","90","","90","","720.96","0.05","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co Fe -","- Al8 Ce Co0.97 Fe1.02 -","- Al32 Ce4 Co3.88 Fe4.08 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0244","0.0211","","","0.0492","0.0512","","","","","","1.247","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341657","12.499","0.0005","14.41","0.0005","4.034","0.0005","90","","90","","90","","726.57","0.1","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.3 Fe0.7 -","- Al8 Ce Co1.31 Mn0.69 -","- Al32 Ce4 Co5.24 Mn2.76 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0385","0.0263","","","0.0562","0.061","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341658","12.472","0.001","14.387","0.0015","4.022","0.003","90","","90","","90","","721.7","0.5","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co2 -","- Al8 Ce Co2 -","- Al32 Ce4 Co8 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0314","0.0255","","","0.056","0.0592","","","","","","0.988","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341659","12.471","0.0005","14.386","0.002","4.022","0.003","90","","90","","90","","721.6","0.5","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.4 Ni0.6 -","- Al8 Ce Co1.3758 Ni0.5958 -","- Al32 Ce4 Co5.5032 Ni2.3832 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0417","0.029","","","0.0659","0.0719","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341660","12.4654","0.0005","14.3872","0.0006","4.0219","0.0002","90","","90","","90","","721.3","0.06","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.29 Ni0.71 -","- Al8 Ce Co1.27 Ni0.71 -","- Al32 Ce4 Co5.08 Ni2.84 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0264","0.0181","","","0.0309","0.0323","","","","","","1.097","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341661","12.495","0.0001","14.407","0.001","4.032","0.001","90","","90","","90","","725.82","0.19","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.55 Mn0.45 -","- Al8 Ce Co1.55 Mn0.45 -","- Al32 Ce4 Co6.2 Mn1.8 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0445","0.0276","","","0.0532","0.0581","","","","","","1.04","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341662","12.477","0.001","14.393","0.004","4.023","0.004","90","","90","","90","","722.5","0.7","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.71 Ni0.27 -","- Al8 Ce Co1.712 Ni0.27 -","- Al32 Ce4 Co6.848 Ni1.08 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0645","0.0367","","","0.0702","0.0805","","","","","","1.032","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341663","12.4844","0.001","14.392","0.004","4.026","0.003","90","","90","","90","","723.4","0.6","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co Mn -","- Al8 Ce Co1.78 Mn0.22 -","- Al32 Ce4 Co7.12 Mn0.88 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0577","0.0349","","","0.0763","0.0865","","","","","","1.046","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341664","12.482","0.0005","14.401","0.003","4.029","0.003","90","","90","","90","","724.2","0.6","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.33 Fe0.67 -","- Al8 Ce Co1.33 Fe0.65 -","- Al32 Ce4 Co5.32 Fe2.6 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0374","0.0288","","","0.0678","0.0725","","","","","","0.973","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341665","12.477","0.0005","14.391","0.002","4.027","0.002","90","","90","","90","","723.1","0.4","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co1.77 Fe0.23 -","- Al8 Ce Co1.77 Fe0.23 -","- Al32 Ce4 Co7.08 Fe0.92 -","4","0.5","","Treadwell, LaRico J; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Rebar, Drew J.; Hebert, Jessica K.; DiTusa, John F.; Chan, Julia Y.","Investigation of Mn, Fe, and Ni Incorporation in CeCo2Al8.","Inorganic chemistry","2015","54","3","963","968","10.1021/ic502356t","","","0.71073","MoKα","","0.0404","0.0266","","","0.0583","0.0638","","","","","","1.039","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341700","10.866","0.005","10.866","0.005","11.919","0.008","90","","90","","120","","1218.7","1.1","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Ba2Ga8SiS16","","","- Ba2 Ga8 S16 Si -","- Ba2 Ga7.98 S16 Si1.02 -","- Ba4 Ga15.96 S32 Si2.04 -","2","0.166667","","Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao","Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge).","Inorganic chemistry","2015","54","3","976","981","10.1021/ic502362f","","","0.71073","MoKα","","0.0248","0.023","","","0.0463","0.0469","","","","","","1.062","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341701","10.8868","0.0004","10.8868","0.0004","11.9152","0.0007","90","","90","","120","","1223.02","0.1","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Ba2Ga8GeS16","","","- Ba2 Ga8 Ge S16 -","- Ba2 Ga7.98 Ge1.02 S16 -","- Ba4 Ga15.96 Ge2.04 S32 -","2","0.166667","","Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao","Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge).","Inorganic chemistry","2015","54","3","976","981","10.1021/ic502362f","","","0.71073","MoKα","","0.0164","0.015","","","0.0272","0.028","","","","","","1.039","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341703","12.9178","0.0011","23.0254","0.0019","4.7767","0.0004","90","","90","","90","","1420.8","0.2","296","2","296","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cd4.45 Eu9 Sb9 -","- Cd4.446 Eu9 Sb9 -","- Cd8.892 Eu18 Sb18 -","2","0.25","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0294","0.0252","","","0.0567","0.0584","","","","","","1.092","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341704","12.49","0.002","4.6292","0.0008","44.197","0.008","90","","90","","90","","2555.4","0.8","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.41 Sb9 -","- Ca9 Mn4.407 Sb9 -","- Ca36 Mn17.628 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.092","0.0465","","","0.0868","0.103","","","","","","1.012","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341705","11.855","0.002","4.2747","0.0008","41.44","0.008","90","","90","","90","","2100","0.7","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As9 Ca9 Zn4.46 -","- As9 Ca9 Zn4.456 -","- As36 Ca36 Zn17.824 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.1118","0.0494","","","0.0792","0.097","","","","","","0.999","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341706","12.467","0.002","4.6227","0.0009","44.067","0.008","90","","90","","90","","2539.6","0.8","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.4 Sb9 -","- Ca9 Mn4.404 Sb9 -","- Ca36 Mn17.616 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.08","0.0588","","","0.1074","0.1167","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341707","12.4617","0.0018","4.6169","0.0007","44.051","0.006","90","","90","","90","","2534.4","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.5 Sb9 -","- Ca9 Mn4.563 Sb9 -","- Ca36 Mn18.252 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0491","0.0404","","","0.0796","0.084","","","","","","1.146","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341708","12.453","0.002","4.6206","0.0008","44.078","0.008","90","","90","","90","","2536.3","0.8","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.43 Sb9 -","- Ca9 Mn4.417 Sb9 -","- Ca36 Mn17.668 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0518","0.0434","","","0.0849","0.0878","","","","","","1.295","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341709","12.4668","0.0016","4.6177","0.0006","44.11","0.006","90","","90","","90","","2539.3","0.6","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca9 Mn4.43 Sb9 -","- Ca9 Mn4.403 Sb9 -","- Ca36 Mn17.612 Sb36 -","4","0.5","","Liu, Xiao-Cun; Wu, Zhen; Xia, Sheng-Qing; Tao, Xu-Tang; Bobev, Svilen","Structural Variability versus Structural Flexibility. A Case Study of Eu9Cd4+xSb9 and Ca9Mn4+xSb9 (x ≈ (1)/2).","Inorganic chemistry","2015","54","3","947","955","10.1021/ic5023505","","","0.71073","MoKα","","0.0432","0.0362","","","0.0769","0.081","","","","","","1.114","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341714","8.3118","0.0004","11.8165","0.0005","16.9769","0.0008","91.208","0.001","90.048","0.001","100.29","0.001","1640.21","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(η^5^-pentamethylcyclopentadienyl)- (methyl 1-butyl-2-pyridyl-benzimidazole carboxylate-κC,N)- chlorido-iridium(III) hexafluoridophosphate dichloromethane solvate","","- C29 H36 Cl3 F6 Ir N3 O2 P -","- C29 H36 Cl3 F6 Ir N3 O2 P -","- C58 H72 Cl6 F12 Ir2 N6 O4 P2 -","2","1","","Yellol, Gorakh S.; Yellol, Jyoti G.; Kenche, Vijaya B.; Liu, Xiang Ming; Barnham, Kevin J.; Donaire, Antonio; Janiak, Christoph; Ruiz, José","Synthesis of 2-Pyridyl-benzimidazole Iridium(III), Ruthenium(II), and Platinum(II) Complexes. Study of the Activity as Inhibitors of Amyloid-β Aggregation and Neurotoxicity Evaluation.","Inorganic chemistry","2015","54","2","470","475","10.1021/ic502119b","","","0.71073","MoKα","","0.0203","0.0184","","","0.0422","0.0428","","","","","","1.059","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341716","12.8417","0.0002","12.8417","0.0002","12.8417","0.0002","90","","90","","90","","2117.72","0.06","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Barium nona-manganese(II) di-hydroxide hexa-vanadate","","- Ba H2 Mn9 O26 V6 -","- Ba H2 Mn9 O26 V6 -","- Ba4 H8 Mn36 O104 V24 -","4","0.333333","","Sun, Kewen; Litvinchuk, Alexander P.; Tapp, Joshua; Lorenz, Bernd; Möller, Angela","BaMn9[VO4]6(OH)2: A Unique Canted Antiferromagnet with a Chiral ""Paddle-Wheel"" Structural Feature.","Inorganic chemistry","2015","54","3","898","904","10.1021/ic502266k","","","0.71073","MoKα","","0.0266","0.022","","","0.0601","0.0625","","","","","","1.147","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341739","21.201","0.004","5.2811","0.0011","13.913","0.003","90","","119.07","0.03","90","","1361.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl Cs Mn3 Na2 O14 P4 -","- Cl Cs Mn3 Na2 O14 P4 -","- Cl4 Cs4 Mn12 Na8 O56 P16 -","4","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.0275","0.0267","","","0.0676","0.0685","","","","","","1.125","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341740","21.152","0.004","5.2405","0.001","13.853","0.003","90","","119.45","0.03","90","","1337.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl Mn3 Na2 O14 P4 Rb -","- Cl Mn3 Na2 O14 P4 Rb -","- Cl4 Mn12 Na8 O56 P16 Rb4 -","4","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.0321","0.0306","","","0.0752","0.0771","","","","","","1.115","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341741","20.884","0.007","5.228","0.007","13.76","0.02","90","","118.44","","90","","1321","3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl Cs Fe3 Na2 O14 P4 -","- Cl Cs Fe3 Na2 O14 P4 -","- Cl4 Cs4 Fe12 Na8 O56 P16 -","4","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.0241","0.0235","","","0.0627","0.0633","","","","","","1.084","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341742","20.827","0.004","5.192","0.001","13.709","0.003","90","","118.82","0.03","90","","1298.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl Fe3 Na2 O14 P4 Rb -","- Cl Fe3 Na2 O14 P4 Rb -","- Cl4 Fe12 Na8 O56 P16 Rb4 -","4","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.033","0.0317","","","0.0779","0.0793","","","","","","1.138","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341743","7.6288","0.0015","5.3699","0.0011","18.995","0.004","90","","100.92","0.03","90","","764.1","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- Cl Cs K2 Mn3 O14 P4 -","- Cl Cs K2 Mn3 O14 P4 -","- Cl2 Cs2 K4 Mn6 O28 P8 -","2","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.0313","0.0304","","","0.0787","0.0796","","","","","","1.115","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341744","5.3125","0.0011","7.613","0.0015","9.6697","0.0019","79.41","0.03","76.04","0.03","89.66","0.03","372.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cl Cs Fe3 K2 O14 P4 -","- Cl Cs Fe3 K2 O14 P4 -","- Cl Cs Fe3 K2 O14 P4 -","1","0.5","","Gao, Jianhua; Li, Jian; Sulejmanovic, Dino; Hwu, Shiou-Jyh","M3(P2O7)2(2-)-Type Open Frameworks Featuring [M2O8] and [M3O12] Multinuclear Transition-Metal Oxide Units. Serendipitous Synthesis of Six Polymorphic Salt-Inclusion Magnetic Solids: Na2M3(P2O7)2·ACl (M = Mn, Fe; A = Rb, Cs) and K2M3(P2O7)2·CsCl (M = Fe, Mn).","Inorganic chemistry","2015","54","3","1136","1144","10.1021/ic5024696","","","0.71073","MoKα","","0.0443","0.0433","","","0.1138","0.1147","","","","","","1.102","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341760","28.2643","0.001","28.2643","0.001","36.1195","0.0014","90","","90","","120","","24989","1.6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Gold/Palladium Carbonyl Phosphine Cluster","","","- C102 H180 Au2 O30 P12 Pd42 -","- C102 H180 Au2 O30 P12 Pd42 -","- C612 H1080 Au12 O180 P72 Pd252 -","6","0.166667","","Mednikov, Evgueni G.; Dahl, Lawrence F.","Acid/Base-Controlled Au(I)/Au(0) Reductive Transformations of the Monogold [(μ14-Au)Pd22(CO)20(PEt3)8](+) Monocation into Three Different Neutral Digold Nanoclusters: Au2Pd21(CO)20(PEt3)10, Au2Pd28(CO)26(PEt3)10, and New Five-Layer Hexagonal Close-Packed (μ12-Au)2Pd42(CO)30(PEt3)12 with a Trigonal-Bipyramidal AuPd3Au Kernel.","Inorganic chemistry","2015","54","3","1145","1151","10.1021/ic502470m","","","0.71073","MoKα","","0.0779","0.0599","","","0.1572","0.1696","","","","","","1.025","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341856","5.6373","0.0011","11.483","0.002","12.535","0.003","90","","90","","90","","811.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Eu Na O9 Si3 -","- Ba Eu Na O9 Si3 -","- Ba4 Eu4 Na4 O36 Si12 -","4","1","","Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.","Inorganic chemistry","2015","54","3","905","913","10.1021/ic502279n","","","0.71073","MoKα","","0.0369","0.032","","","0.0668","0.0696","","","","","","1.199","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341857","14.777","0.003","23.926","0.005","5.5533","0.0011","90","","90","","90","","1963.4","0.7","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- Ba3 Eu3 Na O20 Si6 -","- Ba3 Eu3 Na O20 Si6 -","- Ba12 Eu12 Na4 O80 Si24 -","4","0.5","","Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.","Inorganic chemistry","2015","54","3","905","913","10.1021/ic502279n","","","0.71073","MoKα","","0.0298","0.0285","","","0.0613","0.0618","","","","","","1.135","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341858","10.8074","0.0015","10.8074","0.0015","4.7296","0.0009","90","","90","","120","","478.41","0.13","293","2","293","2","","","","","","","","6","P 6 m m","P 6 -2","183","","","","- B6 Ba Eu6 H2 O26 Si3 -","- B6 Ba Eu6 H2 O26 Si3 -","- B6 Ba Eu6 H2 O26 Si3 -","1","0.0833333","","Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.","Inorganic chemistry","2015","54","3","905","913","10.1021/ic502279n","","","0.71073","MoKα","","0.0332","0.0331","","","0.0807","0.0807","","","","","","1.189","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341867","7.0256","0.0011","3.5647","0.0006","9.9585","0.0016","90","","90","","90","","249.4","0.07","293","","293","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- C3 Al Y3 -","- C3 Al Y3 -","- C6 Al2 Y6 -","2","0.25","","Kotyrba, Martin R.; Cuervo-Reyes, Eduardo; Nesper, Reinhard","Crystal Structure and Electronic Properties of Y3AlC3.","Inorganic chemistry","2015","54","3","710","712","10.1021/ic5023664","","x-ray","0.71073","MoKα","K-L~3~","0.0247","0.0208","","","0.05","0.0512","","","","","","1.038","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341879","17.1747","0.0011","31.1089","0.0017","11.8402","0.0012","90","","90","","90","","6326.1","0.8","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C100 H108 Cl16 N8 O19 Pt3 -","- C100 H108 Cl16 N8 O19 Pt3 -","- C200 H216 Cl32 N16 O38 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.054","0.0498","","","0.1231","0.1242","","","","","","1.073","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341880","19.4956","0.0015","21.2065","0.0017","11.5739","0.0009","90","","90","","90","","4785","0.6","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H102 Cl4 N8 O18 Pt3 -","- C96 H102 Cl4 N8 O18 Pt3 -","- C192 H204 Cl8 N16 O36 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.0575","0.0494","","","0.1238","0.1272","","","","","","1.048","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341881","19.598","0.006","18.956","0.006","10.5","0.003","90","","115.869","0.004","90","","3509.9","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 F3 N3 O3 Pt S -","- C40 H40 F3 N3 O3 Pt S -","- C160 H160 F12 N12 O12 Pt4 S4 -","4","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.047","0.045","","","0.1366","0.1379","","","","","","1.046","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341882","7.321","0.004","27.917","0.013","14.261","0.008","90","","98.997","0.008","90","","2879","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H35 Cl N3 O2.5 Pt -","- C32 H35 Cl N3 O2.5 Pt -","- C128 H140 Cl4 N12 O10 Pt4 -","4","2","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.2327","0.2044","","","0.3718","0.3894","","","","","","1.301","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341883","17.2735","0.0014","31.0196","0.0017","11.8157","0.0012","90","","90","","90","","6331.1","0.9","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C100 H108 Cl16 N8 O19 Pt3 -","- C100 H108 Cl16 N8 O19 Pt3 -","- C200 H216 Cl32 N16 O38 Pt6 -","2","0.5","","Zhang, Xiao-Peng; Chang, Victoria Y.; Liu, Jian; Yang, Xiao-Liang; Huang, Wei; Li, Yizhi; Li, Cheng-Hui; Muller, Gilles; You, Xiao-Zeng","Potential Switchable Circularly Polarized Luminescence from Chiral Cyclometalated Platinum(II) Complexes.","Inorganic chemistry","2015","54","1","143","152","10.1021/ic5019136","","","0.71073","MoKα","","0.048","0.0447","","","0.1143","0.1149","","","","","","1.016","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341884","8.3421","0.0008","4.8728","0.0005","13.7202","0.0009","90","","90","","90","","557.72","0.09","293","","293","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba4 Ge20 -","4","0.25","","Castillo, Rodrigo; Carrillo-Cabrera, Wilder; Schwarz, Ulrich; Grin, Yuri","Classical and Nonclassical Germanium Environments in High-Pressure BaGe5.","Inorganic chemistry","2015","54","3","1019","1025","10.1021/ic502396p","powder diffraction","x-ray","0.43046","synchrotron","","0.0126","0.0126","","0.0186","0.0186","","","","0.76","","","","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341885","23.0525","0.0011","23.0525","0.0011","68.656","0.004","90","","90","","120","","31597","3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C378 H444 Cu12 N56 O95 -","- C378 H444 Cu12 N56 O95 -","- C1134 H1332 Cu36 N168 O285 -","3","0.166667","","Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa","Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate.","Inorganic chemistry","2015","54","1","229","240","10.1021/ic502230q","","","0.71069","MoKα","","0.1943","0.1024","","","0.2889","0.331","","","","","","0.998","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341886","19.9836","0.0019","21.015","0.002","17.6125","0.0016","90","","113.248","0.003","90","","6795.9","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 Cl2 Cu2 N8 O17 -","- C66 H70 Cl2 Cu2 N8 O17 -","- C264 H280 Cl8 Cu8 N32 O68 -","4","1","","Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa","Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate.","Inorganic chemistry","2015","54","1","229","240","10.1021/ic502230q","","","0.71073","MoKα","","0.2492","0.1082","","","0.2784","0.3241","","","","","","0.986","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341887","12.1891","0.0009","16.2497","0.0012","17.8984","0.0016","88.042","0.005","74.917","0.003","79.386","0.003","3364.1","0.5","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H112 B2 F48 Fe2 N10 O6 -","- C134 H72 B2 F48 Fe2 N10 O6 -","- C134 H72 B2 F48 Fe2 N10 O6 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","","1.54178","CuKα","","0.1007","0.0879","","","0.2499","0.2662","","","","","","1.078","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341888","12.3247","0.0006","16.9752","0.0006","17.714","0.0009","86.386","0.002","75.656","0.002","76.244","0.001","3487.5","0.3","225","2","225.01","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H112 B2 F48 Fe2 N10 O6 -","- C118 H72 B2 F48 Fe2 N10 O2 -","- C118 H72 B2 F48 Fe2 N10 O2 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","","1.54178","CuKα","","0.0819","0.0741","","","0.2184","0.2282","","","","","","1.101","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341889","12.3771","0.0007","16.8442","0.001","17.5919","0.001","85.473","0.002","76.051","0.002","78.445","0.002","3485.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H92 B2 Br2 F48 Fe2 N10 O3 -","- C122 H70 B2 Br2 F48 Fe2 N10 O3 -","- C122 H70 B2 Br2 F48 Fe2 N10 O3 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","","1.54178","CuKα","","0.0603","0.0565","","","0.1687","0.1735","","","","","","1.083","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341890","12.4619","0.0005","17.1585","0.0008","17.9518","0.0008","84.82","0.002","76.042","0.002","77.842","0.002","3638.5","0.3","225","2","224.98","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H92 B2 Br2 F48 Fe2 N10 O3 -","- C122 H70 B2 Br2 F48 Fe2 N10 O3 -","- C122 H70 B2 Br2 F48 Fe2 N10 O3 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","x-ray","1.54178","CuKα","","0.0702","0.0663","","","0.2021","0.2079","","","","","","1.079","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341891","12.2621","0.0008","16.8244","0.0011","17.6098","0.001","85.809","0.003","76.479","0.003","77.825","0.003","3451.7","0.4","100","2","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H92 B2 Cl2 F48 Fe2 N10 O3 -","- C122 H70 B2 Cl2 F48 Fe2 N10 O3 -","- C122 H70 B2 Cl2 F48 Fe2 N10 O3 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","x-ray","0.71073","MoKα","","0.1662","0.0995","","","0.2573","0.285","","","","","","1.029","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341892","12.3707","0.0005","17.2025","0.0007","17.97","0.0008","84.892","0.002","76.314","0.001","77.33","0.002","3622.3","0.3","225","2","224.99","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H92 B2 Cl2 F48 Fe2 N10 O3 -","- C118 H70 B2 Cl2 F48 Fe2 N10 O2 -","- C118 H70 B2 Cl2 F48 Fe2 N10 O2 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","x-ray","1.54178","CuKα","","0.0804","0.0714","","","0.2155","0.2265","","","","","","1.14","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341893","12.1907","0.0007","16.6435","0.0009","17.3578","0.0009","87.671","0.002","77.622","0.002","77.463","0.002","3357.9","0.3","100","2","100.03","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H110 B2 F50 Fe2 N10 O6 -","- C134 H70 B2 F50 Fe2 N10 O6 -","- C134 H70 B2 F50 Fe2 N10 O6 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","","1.54178","CuKα","","0.0875","0.0857","","","0.2406","0.2427","","","","","","1.084","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341894","12.2877","0.0005","16.8312","0.0007","17.7318","0.0008","87.114","0.002","76.717","0.001","77.569","0.002","3485.4","0.3","225","2","224.99","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H110 B2 F50 Fe2 N10 O6 -","- C118 H70 B2 F50 Fe2 N10 O2 -","- C118 H70 B2 F50 Fe2 N10 O2 -","1","0.5","","Park, Jesse G.; Jeon, Ie-Rang; Harris, T. David","Electronic Effects of Ligand Substitution on Spin Crossover in a Series of Diiminoquinonoid-Bridged Fe(II)2 Complexes.","Inorganic chemistry","2015","54","1","359","369","10.1021/ic5025586","","x-ray","1.54178","CuKα","","0.0708","0.0649","","","0.1967","0.2056","","","","","","1.105","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341895","8.5277","0.0011","8.5277","0.0011","7.2451","0.0012","90","","90","","120","","456.29","0.11","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.44 Eu1.1 Ga2.18 -","- Au4.44 Eu1.10533 Ga2.18033 -","- Au13.32 Eu3.316 Ga6.541 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0468","0.0331","","","0.0619","0.0678","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341896","8.543","0.0008","8.543","0.0008","7.2493","0.0008","90","","90","","120","","458.19","0.08","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.44 Eu1.12 Ga2.22 -","- Au4.442 Eu1.116 Ga2.218 -","- Au13.326 Eu3.348 Ga6.654 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0443","0.0341","","","0.073","0.0777","","","","","","1.052","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341897","8.5781","0.0003","8.5781","0.0003","7.1703","0.0003","90","","90","","120","","456.93","0.03","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.77 Eu Ga2.23 -","- Au4.766 Eu Ga2.234 -","- Au14.298 Eu3 Ga6.702 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0467","0.0406","","","0.0897","0.0916","","","","","","1.176","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341898","8.592","0.002","8.592","0.002","7.208","0.002","90","","90","","120","","460.8","0.2","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.8 Eu Ga2.2 -","- Au4.807 Eu Ga2.193 -","- Au14.421 Eu3 Ga6.579 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0411","0.032","","","0.0567","0.0602","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341899","8.8553","0.0018","7.1883","0.0014","20.374","0.004","90","","90","","90","","1296.9","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au5.04 Ba Ga1.96 -","- Au5.0415 Ba Ga1.9585 -","- Au40.332 Ba8 Ga15.668 -","8","1","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0714","0.0452","","","0.0933","0.1067","","","","","","1.004","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341900","8.835","0.0005","7.1888","0.0003","20.388","0.0007","90","","90","","90","","1294.9","0.1","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au4.97 Ba Ga2.03 -","- Au4.9705 Ba Ga2.0295 -","- Au39.764 Ba8 Ga16.236 -","8","1","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.092","0.0444","","","0.0788","0.0908","","","","","","1.028","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341901","8.7758","0.0004","8.7758","0.0004","7.1905","0.0008","90","","90","","120","","479.58","0.06","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.39 Ba Ga2.61 -","- Au4.393 Ba Ga2.607 -","- Au13.179 Ba3 Ga7.821 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0357","0.0312","","","0.054","0.055","","","","","","1.105","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341902","8.7758","0.0004","8.7758","0.0004","7.1905","0.0008","90","","90","","120","","479.58","0.06","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.29 Ba Ga2.71 -","- Au4.292 Ba Ga2.708 -","- Au12.876 Ba3 Ga8.124 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0411","0.0309","","","0.056","0.0591","","","","","","1.066","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341903","8.7892","0.0004","8.7892","0.0004","7.2124","0.0003","90","","90","","120","","482.51","0.04","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Au4.51 Ba1.04 Ga2.37 -","- Au4.505 Ba1.03867 Ga2.375 -","- Au13.515 Ba3.116 Ga7.125 -","3","0.25","","Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.","Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.","Inorganic chemistry","2015","54","3","1010","1018","10.1021/ic502402y","","","0.71073","MoKα","","0.0313","0.0289","","","0.0616","0.0627","","","","","","1.119","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341904","20.103","0.005","6.798","0.0013","9.611","0.002","90","","112.375","0.008","90","","1214.6","0.5","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Marbey, Jonathan J.; Hill, Stephen; Roubeau, Olivier; Parsons, Simon; Murrie, Mark","Field-Induced Slow Relaxation in a Monometallic Manganese(III) Single-Molecule Magnet.","Inorganic chemistry","2015","54","1","13","15","10.1021/ic5024136","","","0.71073","MoKα","","0.0393","0.0341","","0.0764","0.0747","0.0764","","","","","","0.9465","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341905","24.9961","0.0009","53.3317","0.0019","14.3169","0.0005","90","","90","","90","","19085.6","1.2","291","2","291","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C94 H58 Cl2 F21 Ir3 N18 O -","- C94 H58 Cl2 F21 Ir3 N18 O -","- C752 H464 Cl16 F168 Ir24 N144 O8 -","8","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0532","0.0428","","","0.1076","0.1085","","","","","","1.021","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341906","9.647","0.002","11.873","0.003","12.47","0.003","81.499","0.004","85.223","0.004","86.396","0.003","1405.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 F7 Ir N4 -","- C33 H20 F7 Ir N4 -","- C66 H40 F14 Ir2 N8 -","2","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0624","0.0524","","","0.1461","0.1725","","","","","","1.055","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341907","31.5696","0.001","31.5696","0.001","12.3207","0.0008","90","","90","","90","","12279.3","1","291","2","291","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H48 F8 Ir2 N8 O -","- C72 H48 F8 Ir2 N8 O -","- C576 H384 F64 Ir16 N64 O8 -","8","0.5","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0946","0.0955","","","","","","1.003","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341908","10.9497","0.0009","14.5417","0.0012","20.579","0.0017","90","","103.313","0.001","90","","3188.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 F7 Ir N4 -","- C37 H22 F7 Ir N4 -","- C148 H88 F28 Ir4 N16 -","4","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0763","0.0372","","","0.0696","0.0801","","","","","","1.009","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341909","11.7237","0.0006","14.2517","0.0008","20.4111","0.0011","90","","95.463","0.001","90","","3394.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 F9 Ir N4 -","- C39 H24 F9 Ir N4 -","- C156 H96 F36 Ir4 N16 -","4","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0499","0.0425","","","0.1022","0.1051","","","","","","1.026","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341910","12.3639","0.001","22.7999","0.0019","12.6057","0.0011","90","","97.548","0.003","90","","3522.7","0.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 F7 Ir N7 -","- C37 H23 F7 Ir N7 -","- C148 H92 F28 Ir4 N28 -","4","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0544","0.049","","","0.1201","0.1209","","","","","","1.022","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341911","9.3944","0.0018","12.0002","0.0013","15.9223","0.0013","90.432","0.002","101.403","0.003","99.787","0.003","1732.4","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 F7 Ir N5 -","- C39 H25 F7 Ir N5 -","- C78 H50 F14 Ir2 N10 -","2","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0478","0.0429","","","0.1084","0.1091","","","","","","1.06","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341912","17.6274","0.0003","17.6274","0.0003","34.4966","0.0005","90","","90","","90","","10719","0.3","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H20 F6 Ir N4 -","- C32 H20 F6 Ir N4 -","- C512 H320 F96 Ir16 N64 -","16","0.5","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0501","0.0429","","","0.1001","0.1011","","","","","","1.054","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341913","17.623","0.0003","17.623","0.0003","34.497","0.0012","90","","90","","90","","10713.7","0.5","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C32 H21 F4 Ir N4 -","- C32 H21 F4 Ir N4 -","- C512 H336 F64 Ir16 N64 -","16","0.5","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0503","0.0448","","","0.1102","0.1114","","","","","","1.015","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341914","31.7027","0.0008","31.7027","0.0008","12.3108","0.0006","90","","90","","90","","12373.1","0.7","291","2","291","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H24 F5 Ir N4 O -","- C36 H24 F5 Ir N4 O -","- C576 H384 F80 Ir16 N64 O16 -","16","1","","Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin","N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.","Inorganic chemistry","2015","54","1","161","173","10.1021/ic501949h","","","0.71073","MoKα","","0.0427","0.0419","","","0.1015","0.1016","","","","","","1.057","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341915","17.9988","0.0006","11.4774","0.0005","19.3454","0.0005","90","","96.906","0.001","90","","3967.4","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 N8 Zn -","- C46 H46 N8 Zn -","- C184 H184 N32 Zn4 -","4","0.5","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","0.71073","MoKα","","0.0265","0.0254","","","0.0727","0.0733","","","","","","1.037","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341916","15.07","0.004","12.864","0.003","19.235","0.005","90","","104.01","0.008","90","","3618","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 N9 Zn -","- C40 H39 N9 Zn -","- C160 H156 N36 Zn4 -","4","1","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","0.71073","MoKα","","0.0467","0.0339","","","0.0799","0.0869","","","","","","1.038","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341917","10.8546","0.0003","10.9884","0.0003","13.7821","0.0004","82.9604","0.0007","85.6641","0.0008","78.0685","0.0007","1594.08","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C35.5 H22 F10 N4 Zn -","- C35.5 H22 F10 N4 Zn -","- C71 H44 F20 N8 Zn2 -","2","2","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","1.54184","CuKα","","0.0278","0.0278","","","0.0743","0.0743","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341918","11.1564","0.0004","16.0507","0.0005","24.0955","0.001","90","","101.165","0.003","90","","4233.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 F10 N8 Zn -","- C46 H36 F10 N8 Zn -","- C184 H144 F40 N32 Zn4 -","4","1","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","0.71073","MoKα","","0.0679","0.0508","","","0.1309","0.1428","","","","","","1.041","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341919","11.1353","0.0006","12.0886","0.0007","17.9233","0.0009","75.379","0.002","87.426","0.002","76.677","0.002","2271.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H58 N8 Zn -","- C52 H58 N8 Zn -","- C104 H116 N16 Zn2 -","2","1","","Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin","Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry.","Inorganic chemistry","2015","54","1","379","388","10.1021/ic5025873","","","0.71073","MoKα","","0.0612","0.0404","","","0.0863","0.0941","","","","","","1.043","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341920","10.804","0.002","10.804","0.002","10.804","0.002","90","","90","","90","","1261.1","0.4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Hg0.18 Tl1.82 -","- Cl5.94 Cs1.98 Hg0.18 Tl1.84 -","- Cl23.76 Cs7.92 Hg0.72 Tl7.36 -","4","0.0208333","","Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha","Hole Doping and Structural Transformation in CsTl1-xHgxCl3.","Inorganic chemistry","2015","54","3","1066","1075","10.1021/ic502400d","","","0.71073","MoKα","","0.0409","0.0409","","","0.097","0.097","","","","","","0.996","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341921","5.3739","0.0014","5.3739","0.0014","5.3739","0.0014","90","","90","","90","","155.19","0.07","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Hg0.88 Tl0.12 -","- Cl3 Cs Hg0.88 Tl0.1194 -","- Cl3 Cs Hg0.88 Tl0.1194 -","1","0.0208333","","Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha","Hole Doping and Structural Transformation in CsTl1-xHgxCl3.","Inorganic chemistry","2015","54","3","1066","1075","10.1021/ic502400d","","","0.71073","MoKα","","0.0326","0.0326","","","0.0743","0.0743","","","","","","1.002","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341922","5.375","0.0011","5.375","0.0011","5.375","0.0011","90","","90","","90","","155.29","0.06","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Hg0.95 Tl0.05 -","- Cl3 Cs Hg0.947 Tl0.0528 -","- Cl3 Cs Hg0.947 Tl0.0528 -","1","0.0208333","","Retuerto, Maria; Yin, Zhiping; Emge, Thomas J.; Stephens, Peter W.; Li, Man-Rong; Sarkar, Tapati; Croft, Mark C.; Ignatov, Alexander; Yuan, Z.; Zhang, S. J.; Jin, Changqing; Paria Sena, Robert; Hadermann, Joke; Kotliar, Gabriel; Greenblatt, Martha","Hole Doping and Structural Transformation in CsTl1-xHgxCl3.","Inorganic chemistry","2015","54","3","1066","1075","10.1021/ic502400d","","","0.71073","MoKα","","0.0163","0.0163","","","0.0444","0.0444","","","","","","1.007","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341923","10.2187","0.001","11.5176","0.0011","16.3127","0.0016","82.71","0.002","75.911","0.001","77.542","0.002","1812.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H9 Eu O10 -","- C24 H9 Eu O10 -","- C48 H18 Eu2 O20 -","2","1","","Zhao, Nian; Sun, Fuxing; Zhang, Shixing; He, Hongming; Liu, Jia; Li, Qin; Zhu, Guangshan","Deprotonation-triggered stokes shift fluorescence of an unexpected basic-stable metal-organic framework.","Inorganic chemistry","2015","54","1","65","68","10.1021/ic501560z","","","0.71073","MoKα","","0.0444","0.0379","","","0.1048","0.1071","","","","","","1.048","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341924","9.6739","0.0009","20.572","0.002","12.7134","0.0013","90","","104.573","0.004","90","","2448.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H35 Cl O Si4 Zn -","- C13 H32 Cl O Si4 Zn -","- C52 H128 Cl4 O4 Si16 Zn4 -","4","1","","Sirimanne, Chatu T.; Kerrigan, Marissa M.; Martin, Philip D.; Kanjolia, Ravindra K.; Elliott, Simon D.; Winter, Charles H.","Reductive Elimination of Hypersilyl Halides from Zinc(II) Complexes. Implications for Electropositive Metal Thin Film Growth.","Inorganic chemistry","2015","54","1","7","9","10.1021/ic502184f","","","0.71073","MoKα","","0.1032","0.0776","","","0.239","0.255","","","","","","1.824","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341925","9.6","0.0006","10.4322","0.0006","12.9113","0.0008","92.484","0.003","105.528","0.003","96.167","0.003","1235.14","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H35 Br O Si4 Zn -","- C13 H35 Br O Si4 Zn -","- C26 H70 Br2 O2 Si8 Zn2 -","2","1","","Sirimanne, Chatu T.; Kerrigan, Marissa M.; Martin, Philip D.; Kanjolia, Ravindra K.; Elliott, Simon D.; Winter, Charles H.","Reductive Elimination of Hypersilyl Halides from Zinc(II) Complexes. Implications for Electropositive Metal Thin Film Growth.","Inorganic chemistry","2015","54","1","7","9","10.1021/ic502184f","","","0.71073","MoKα","","0.0877","0.053","","","0.0938","0.1094","","","","","","1.085","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341926","9.485","0.004","17.944","0.006","29.215","0.012","76.04","0.02","83.79","0.02","82.887","0.017","4773","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H70 I2 O2 Si8 Zn2 -","- C26 H35 I2 O2 Si8 Zn2 -","- C104 H140 I8 O8 Si32 Zn8 -","4","2","","Sirimanne, Chatu T.; Kerrigan, Marissa M.; Martin, Philip D.; Kanjolia, Ravindra K.; Elliott, Simon D.; Winter, Charles H.","Reductive Elimination of Hypersilyl Halides from Zinc(II) Complexes. Implications for Electropositive Metal Thin Film Growth.","Inorganic chemistry","2015","54","1","7","9","10.1021/ic502184f","","","0.71073","MoKα","","0.0879","0.0619","","","0.1624","0.183","","","","","","0.894","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341927","20.194","0.005","24.61","0.005","26.983","0.005","90","0.005","90","0.005","90","0.005","13410","5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C73 H57 N9 O13 Yb2 -","- C73 H57 N9 O13 Yb2 -","- C584 H456 N72 O104 Yb16 -","8","1","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71069","MoKα","","0.0476","0.0312","","","0.0682","0.0779","","","","","","1.169","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341928","22.254","0.005","15.4","0.003","21.218","0.004","90","","114.68","0.03","90","","6607","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 N4 O12 Yb2 -","- C45 H38 N4 O12 Yb2 -","- C180 H152 N16 O48 Yb8 -","4","1","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71073","MoKα","","0.1107","0.0542","","","0.1373","0.1559","","","","","","0.882","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341929","11.62","0.005","12.541","0.005","14.103","0.005","89.023","0.005","68.562","0.005","86.208","0.005","1908.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 O16 Yb2 -","- C34 H46 N2 O16 Yb2 -","- C68 H92 N4 O32 Yb4 -","2","1","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71069","MoKα","","0.0295","0.0245","","","0.0521","0.0547","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341930","13.734","0.003","16.582","0.003","17.723","0.004","90","","90","","90","","4036.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H60 N4 O31 Yb4 -","- C60 H60 N4 O31 Yb4 -","- C120 H120 N8 O62 Yb8 -","2","0.5","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71073","MoKα","","0.0445","0.0338","","","0.0675","0.0697","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341931","11.9813","0.0011","22.629","0.002","13.4193","0.0013","90","","103.465","0.002","90","","3538.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cd Cl2 N8 O8 -","- C31 H28 Cd Cl2 N8 O8 -","- C124 H112 Cd4 Cl8 N32 O32 -","4","1","","Manna, Biplab; Singh, Shweta; Karmakar, Avishek; Desai, Aamod V.; Ghosh, Sujit K.","Selective anion exchange and tunable luminescent behaviors of metal-organic framework based supramolecular isomers.","Inorganic chemistry","2015","54","1","110","116","10.1021/ic501879w","","","0.71073","MoKα","","0.0366","0.0353","","","0.0796","0.0802","","","","","","1.199","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341932","15.9139","0.0014","16.0359","0.0013","18.0494","0.0016","106.393","0.002","97.747","0.002","95.351","0.002","4336.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H39 Cd2 Cl4 N16 O16 -","- C48 H39 Cd2 Cl4 N16 O16 -","- C96 H78 Cd4 Cl8 N32 O32 -","2","1","","Manna, Biplab; Singh, Shweta; Karmakar, Avishek; Desai, Aamod V.; Ghosh, Sujit K.","Selective anion exchange and tunable luminescent behaviors of metal-organic framework based supramolecular isomers.","Inorganic chemistry","2015","54","1","110","116","10.1021/ic501879w","","","0.71073","MoKα","","0.0636","0.0517","","","0.1372","0.1443","","","","","","0.949","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341933","16.8494","0.0006","9.8491","0.0004","8.321","0.0004","90","","92.118","0.004","90","","1379.94","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ca2 N2 O14 -","- C22 H34 Ca2 N2 O14 -","- C44 H68 Ca4 N4 O28 -","2","0.5","","Martin-Diaconescu, Vlad; Gennari, Marcello; Gerey, Bertrand; Tsui, Emily; Kanady, Jacob; Tran, Rosalie; Pécaut, Jacques; Maganas, Dimitrios; Krewald, Vera; Gouré, Eric; Duboc, Carole; Yano, Junko; Agapie, Theodor; Collomb, Marie-Noelle; DeBeer, Serena","Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems.","Inorganic chemistry","2015","54","4","1283","1292","10.1021/ic501991e","","","0.71073","MoKα","","0.0459","0.035","","","0.0757","0.0816","","","","","","1.036","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341934","26.4413","0.0017","15.5908","0.0009","15.0859","0.0009","90","","101.907","0.002","90","","6085.2","0.6","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu3 Mn N6 O14 -","- C54 H54 Cl2 Cu3 Mn N6 O14 -","- C216 H216 Cl8 Cu12 Mn4 N24 O56 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0862","0.0609","","","0.1638","0.1779","","","","","","1.031","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341935","14.547","0.007","14.547","0.007","15.129","0.008","90","","90","","120","","2773","2","296","2","296","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H54 Cl2 Cu3 N6 Ni O14 -","- C54 H54 Cl2 Cu3 N6 Ni O14 -","- C108 H108 Cl4 Cu6 N12 Ni2 O28 -","2","0.166667","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0662","0.0437","","","0.1215","0.1437","","","","","","1.044","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341936","26.103","0.005","15.193","0.002","15.384","0.003","90","","100.822","0.005","90","","5992.5","1.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu4 N6 O14 -","- C54 H54 Cl2 Cu4 N6 O14 -","- C216 H216 Cl8 Cu16 N24 O56 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.061","0.0445","","","0.1362","0.1453","","","","","","1.027","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341937","26.137","0.002","15.4273","0.0011","15.3494","0.0011","90","","101.89","0.002","90","","6056.4","0.8","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu3 N6 O14 Zn -","- C54 H54 Cl2 Cu3 N6 O14 Zn -","- C216 H216 Cl8 Cu12 N24 O56 Zn4 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0854","0.0505","","","0.1483","0.1624","","","","","","1.014","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341938","7.6344","0.0014","12.533","0.003","16.608","0.004","102.867","0.008","96.576","0.008","104.568","0.008","1474.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 N3 O2 Pt -","- C17 H13 N3 O2 Pt -","- C68 H52 N12 O8 Pt4 -","4","2","","Mitra, Koushambi; Patil, Shilpa; Kondaiah, Paturu; Chakravarty, Akhil R.","2-(Phenylazo)pyridineplatinum(II) Catecholates Showing Photocytotoxicity, Nuclear Uptake, and Glutathione-Triggered Ligand Release.","Inorganic chemistry","2015","54","1","253","264","10.1021/ic502317z","","","0.71073","MoKα","","0.0884","0.062","","","0.1707","0.1802","","","","","","1.078","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341939","29.5723","0.001","29.5723","0.001","34.1452","0.0013","90","","90","","120","","25860.1","1.6","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C165 H93 O48 S2 Zn12 -","- C165 H93 O48 S2 Zn12 -","- C495 H279 O144 S6 Zn36 -","3","0.166667","","Chen, Shuang-Qiu; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Channel Partition into Nanoscale Polyhedral Cages of a Triple-Self-Interpenetrated Metal-Organic Framework with High CO2 Uptake.","Inorganic chemistry","2015","54","1","10","12","10.1021/ic502254c","","","0.71073","MoKα","","0.0734","0.0444","","","0.09","0.0942","","","","","","1.034","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341940","16.9876","0.0004","17.7901","0.0006","18.8103","0.0005","90","","90","","90","","5684.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H21 Al F9 N3 O6 -","- C24 H21 Al F9 N3 O6 -","- C192 H168 Al8 F72 N24 O48 -","8","1","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.0734","0.0557","","","0.1634","0.1816","","","","","","1.049","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341941","15.979","0.0005","13.8817","0.0006","22.4336","0.0008","90","","90","","90","","4976.1","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H38 Al2 F12 N4 O12 -","- C48 H38 Al2 F12 N4 O12 -","- C192 H152 Al8 F48 N16 O48 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.059","0.0551","","","0.1577","0.1618","","","","","","1.047","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341942","22.9628","0.0017","14.275","0.0007","14.107","0.0009","90","","107.697","0.005","90","","4405.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Al2 F12 N4 O8 -","- C38 H34 Al2 F12 N4 O8 -","- C152 H136 Al8 F48 N16 O32 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.1472","0.0935","","","0.1861","0.201","","","","","","1.626","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341943","15.3683","0.0018","14.4592","0.0018","23.252","0.002","90","","90","","90","","5166.9","1","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H34 Al2 F12 N4 O8 S4 -","- C46 H34 Al2 F12 N4 O8 S4 -","- C184 H136 Al8 F48 N16 O32 S16 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.1842","0.071","","","0.1347","0.1697","","","","","","0.922","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341944","10.6761","0.0018","26.194","0.006","15.456","0.003","90","","108.469","0.013","90","","4099.6","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Al2 F12 N4 O5 S4 -","- C32 H28 Al2 F12 N4 O5 S4 -","- C128 H112 Al8 F48 N16 O20 S16 -","4","0.5","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.2439","0.0493","","","0.0635","0.0937","","","","","","0.675","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341945","10.7308","0.0011","20.052","0.003","20.203","0.002","90","","121.644","0.007","90","","3700.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Al2 F6 N2 O6 -","- C32 H46 Al2 F6 N2 O6 -","- C128 H184 Al8 F24 N8 O24 -","4","1","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.1203","0.0674","","","0.1749","0.1974","","","","","","0.926","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341946","14.6497","0.0002","14.8155","0.0002","18.8823","0.0003","75.67","0.001","69.094","0.002","87.907","0.001","3703.27","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H134 B2 F52 Ga6 Zn2 -","- C148 H134 B2 F52 Ga6 Zn2 -","- C148 H134 B2 F52 Ga6 Zn2 -","1","0.5","","Freitag, Kerstin; Banh, Hung; Gemel, Christian; Jerabek, Paul; Seidel, Rüdiger W; Frenking, Gernot; Fischer, Roland A.","Dizinc Cation [Zn2](2+) Trapped In A Homoleptic Metalloid Coordination Environment Stabilized by Dispersion Forces: [Zn2(GaCp*)6][BAr4(F)]2.","Inorganic chemistry","2015","54","1","352","358","10.1021/ic502532g","","","1.54184","CuKα","","0.0682","0.0583","","","0.1623","0.174","","","","","","1.016","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341947","4.4417","0.0001","4.4417","0.0001","42.7104","0.0017","90","","90","","120","","729.73","0.04","150","2","150","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag2 Ge2 Li4 -","- Ag2 Ge2 Li4 -","- Ag12 Ge12 Li24 -","6","0.166667","","Henze, Alexander; Hlukhyy, Viktor; Fässler, Thomas F","Fully and Partially Li-Stuffed Diamond Polytypes with Ag-Ge Structures: Li2AgGe and Li2.53AgGe2.","Inorganic chemistry","2015","54","3","1152","1158","10.1021/ic5025263","","","0.71073","MoKα","","0.025","0.021","","","0.0451","0.0458","","","","","","1.225","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341948","9.7606","0.0002","9.7606","0.0002","18.4399","0.0008","90","","90","","90","","1756.76","0.09","120","2","120","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ag20 Ge40 Li50.55 -","- Ag20 Ge40 Li50.56 -","- Ag20 Ge40 Li50.56 -","1","0.0625","","Henze, Alexander; Hlukhyy, Viktor; Fässler, Thomas F","Fully and Partially Li-Stuffed Diamond Polytypes with Ag-Ge Structures: Li2AgGe and Li2.53AgGe2.","Inorganic chemistry","2015","54","3","1152","1158","10.1021/ic5025263","","","0.71073","MoKα","","0.0504","0.0403","","","0.0802","0.0818","","","","","","1.427","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341949","18.9165","0.0007","8.5292","0.0003","16.6862","0.0006","90","","117.95","0.0013","90","","2378.17","0.15","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs7 Fe4 S8 -","- Cs7 Fe4 S8 -","- Cs28 Fe16 S32 -","4","0.5","","Schwarz, Michael; Röhr, Caroline","Cs8[Fe4S10] and Cs7[Fe4S8], Two New Sulfido Ferrates with Different Tetrameric anions.","Inorganic chemistry","2015","54","3","1038","1048","10.1021/ic502382v","","","0.7107","MoKα","","0.0507","0.0489","","","0.12","0.1206","","","","","","1.211","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341950","7.6783","0.001","8.8557","0.0012","10.6768","0.0015","79.013","0.006","85.151","0.006","80.185","0.006","701.23","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cs8 Fe4 S10 -","- Cs8 Fe4 S10 -","- Cs8 Fe4 S10 -","1","0.5","","Schwarz, Michael; Röhr, Caroline","Cs8[Fe4S10] and Cs7[Fe4S8], Two New Sulfido Ferrates with Different Tetrameric anions.","Inorganic chemistry","2015","54","3","1038","1048","10.1021/ic502382v","","","0.7107","MoKα","","0.0458","0.041","","","0.1193","0.1223","","","","","","1.149","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341951","18.6325","0.0018","19.481","0.0013","10.404","0.003","90","","94.787","0.013","90","","3763.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27.6 Co N6 O1.8 S2 -","- C31 H26.5 Co N6 O1.25 S2 -","- C124 H106 Co4 N24 O5 S8 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Shova, Sergiu; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Andruh, Marius","Two-Dimensional Coordination Polymers Constructed Using, Simultaneously, Linear and Angular Spacers and Cobalt(II) Nodes. New Examples of Networks of Single-Ion Magnets.","Inorganic chemistry","2015","54","1","16","18","10.1021/ic5025197","","","0.71073","MoKα","","0.1654","0.0768","","","0.1686","0.2168","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341952","10.5666","0.0018","19.798","0.002","16.86","0.003","90","","100.173","0.014","90","","3471.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H31 Co N6 O3 S2 -","- C31 H25 Co N6 O3 S2 -","- C124 H100 Co4 N24 O12 S8 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Shova, Sergiu; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Andruh, Marius","Two-Dimensional Coordination Polymers Constructed Using, Simultaneously, Linear and Angular Spacers and Cobalt(II) Nodes. New Examples of Networks of Single-Ion Magnets.","Inorganic chemistry","2015","54","1","16","18","10.1021/ic5025197","","","0.71073","MoKα","","0.2445","0.0658","","","0.072","0.1104","","","","","","0.713","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341953","8.9337","0.0002","8.9337","0.0002","13.4854","0.0003","90","","90","","90","","1076.28","0.04","298","2","298","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- Na O10 Te4 Y -","- Na O10 Te4 Y -","- Na4 O40 Te16 Y4 -","4","0.25","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0194","0.0146","","","0.0351","0.0359","","","","","","1.101","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341954","13.563","0.01","5.9911","0.001","8.5601","0.001","90","","90","","90","","695.6","0.5","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O6 Te2 Y -","- K O6 Te2 Y -","- K4 O24 Te8 Y4 -","4","0.5","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0323","0.0233","","","0.0461","0.0483","","","","","","0.936","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341955","13.7281","0.0003","6.0414","0.0002","8.632","0.0002","90","","90","","90","","715.91","0.03","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O6 Rb Te2 Y -","- O6 Rb Te2 Y -","- O24 Rb4 Te8 Y4 -","4","0.5","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.0233","0.0184","","","0.0401","0.041","","","","","","1.013","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341956","7.3766","0.001","7.3766","0.001","28.933","0.006","90","","90","","120","","1363.4","0.4","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cs O8 Te3 Y -","- Cs O8 Te3 Y -","- Cs6 O48 Te18 Y6 -","6","0.333333","","Kim, Youngkwon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in New Alkali Metal Yttrium Tellurites: Three-Dimensional Frameworks of NaYTe4O10, KY(TeO3)2, RbY(TeO3)2, and a Novel Variant of Hexagonal Tungsten Bronze, CsYTe3O8.","Inorganic chemistry","2015","54","1","389","395","10.1021/ic502724n","","","0.71073","MoKα","","0.051","0.0455","","","0.1086","0.1102","","","","","","1.309","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341957","18.9363","0.0012","18.9363","0.0012","8.2997","0.001","90","","90","","90","","2976.1","0.4","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 Dy N2 O5 -","- C16 H11 Dy N2 O5 -","- C128 H88 Dy8 N16 O40 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0246","0.0235","","","0.044","0.0445","","","","","","1.05","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341958","18.885","0.007","18.885","0.007","8.222","0.003","90","","90","","90","","2932.3","1.9","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 N2 O5 Yb -","- C16 H11 N2 O5 Yb -","- C128 H88 N16 O40 Yb8 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0363","0.0357","","","0.0897","0.0903","","","","","","1.082","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341959","19.0364","0.0014","19.0364","0.0014","8.3437","0.0012","90","","90","","90","","3023.6","0.5","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H11 Gd N2 O5 -","- C16 H11 Gd N2 O5 -","- C128 H88 Gd8 N16 O40 -","8","1","","Li, Yan; Yu, Jia-Wen; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun","Three Isostructural One-Dimensional Ln(III) Chains with Distorted Cubane Motifs Showing Dual Fluorescence and Slow Magnetic Relaxation/Magnetocaloric Effect.","Inorganic chemistry","2015","54","1","153","160","10.1021/ic501952b","","","0.71073","MoKα","","0.0132","0.0126","","","0.0274","0.0276","","","","","","1.029","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341960","8.8576","0.0005","9.6141","0.0006","9.6564","0.0006","106.408","0.004","91.713","0.004","115.409","0.004","701.61","0.08","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 N12 -","- C28 H36 N12 -","- C28 H36 N12 -","1","0.5","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0888","0.0509","","","0.094","0.1083","","","","","","1.011","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341961","16.343","0.005","12.689","0.004","13.491","0.004","90","","90","","90","","2797.7","1.5","140","2","140","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H36 N12 -","- C28 H36 N12 -","- C112 H144 N48 -","4","1","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0413","0.0324","","","0.0693","0.0736","","","","","","1.033","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341962","11.623","0.0015","10.0308","0.0013","11.6987","0.0015","90","","99.772","0.001","90","","1344.1","0.3","140","1","140","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N12 -","- C28 H36 N12 -","- C56 H72 N24 -","2","0.5","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0419","0.0369","","","0.0928","0.0968","","","","","","1.039","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341963","34.084","0.005","13.3725","0.0019","21.967","0.003","90","","90","","90","","10012","2","140","2","140","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C41 H51 F9 La N10 O9.5 S3 -","- C41 H51 F9 La N10 O9.5 S3 -","- C328 H408 F72 La8 N80 O76 S24 -","8","1","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0403","0.0317","","","0.0734","0.0775","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341964","12.945","0.004","27.498","0.008","13.2","0.004","90","","91.262","0.004","90","","4698","2","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 F9 La N13 O10 S3 -","- C33 H39 F9 La N13 O10 S3 -","- C132 H156 F36 La4 N52 O40 S12 -","4","1","","Wilson, Justin J.; Birnbaum, Eva R.; Batista, Enrique R.; Martin, Richard L.; John, Kevin D.","Synthesis and Characterization of Nitrogen-Rich Macrocyclic Ligands and an Investigation of Their Coordination Chemistry with Lanthanum(III).","Inorganic chemistry","2015","54","1","97","109","10.1021/ic501843c","","","0.71073","MoKα","","0.0962","0.0641","","","0.1583","0.1756","","","","","","1.06","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341965","7.7266","0.0003","7.9643","0.0004","21.2205","0.0008","90.298","0.004","92.209","0.003","90.805","0.004","1304.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H19 Mn5 N2 O26 P3 -","- C10 H19 Mn5 N2 O26 P3 -","- C20 H38 Mn10 N4 O52 P6 -","2","1","","Luan, Lindong; Ding, Hejun; Yang, Meng; Lin, Zhien; Huang, Hui","A hybrid open-framework structure containing different manganese phosphate chains as its building blocks.","Inorganic chemistry","2015","54","1","19","21","10.1021/ic502601s","","","0.71073","MoKα","","0.0475","0.0336","","","0.0692","0.0756","","","","","","1.044","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341966","7.7895","0.0003","8.0754","0.0005","9.7286","0.0006","75.902","0.005","79.142","0.004","86.695","0.004","582.86","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Mn4 N2 O22 P2 -","- C10 H6 Mn4 N2 O22 P2 -","- C10 H6 Mn4 N2 O22 P2 -","1","0.5","","Luan, Lindong; Ding, Hejun; Yang, Meng; Lin, Zhien; Huang, Hui","A hybrid open-framework structure containing different manganese phosphate chains as its building blocks.","Inorganic chemistry","2015","54","1","19","21","10.1021/ic502601s","","","1.54184","CuKα","","0.0501","0.0483","","","0.1355","0.1375","","","","","","1.09","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341967","20.3157","0.0006","20.3157","0.0006","19.918","0.001","90","","90","","90","","8220.7","0.5","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C96 H56 Cl3 Mn6.5 N40 O4 -","- C96 H48 Cl3 Mn6.5 N40 O4 -","- C96 H48 Cl3 Mn6.5 N40 O4 -","1","0.0625","","Guo, Zhiyong; Yan, Dan; Wang, Hailong; Tesfagaber, Daniel; Li, Xinle; Chen, Yusheng; Huang, Wenyu; Chen, Banglin","A three-dimensional microporous metal-metalloporphyrin framework.","Inorganic chemistry","2015","54","1","200","204","10.1021/ic502116k","","","0.41328","synchrotronradiation","","0.1023","0.0807","","","0.2231","0.2423","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341968","23.372","0.003","24.291","0.002","24.673","0.002","90","","90","","90","","14008","2","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dodecakis(μ~2~-sulfido)-hexakis(4-methylpentan-2-one-C,O)-di-tin(iii)-hexa- tin(iv) dichloromethane hydrogen sulfide solvate","","- C36 H66 O6 S12 Sn8 -","- C36 H66 O6 S12 Sn8 -","- C288 H528 O48 S96 Sn64 -","8","1","","Eußner, Jens P; Barth, Beatrix E. K.; Justus, Uwe; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie","Revisiting [(RSn(IV))6Sn(III)2S12]: Directed Synthesis, Crystal Transformation, and Luminescence Properties.","Inorganic chemistry","2015","54","1","22","24","10.1021/ic502627h","","","0.71073","MoKα","","0.1255","0.0544","","","0.1059","0.123","","","","","","0.723","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341969","12.9591","0.0006","14.9868","0.0007","19.8869","0.0009","84.749","0.003","81.986","0.003","87.662","0.003","3807","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 F3 Gd Mn3 N10 O20 S -","- C76 H76 F3 Gd Mn3 N10 O20 S -","- C152 H152 F6 Gd2 Mn6 N20 O40 S2 -","2","1","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.71073","MoKα","","0.078","0.0428","","","0.0843","0.0965","","","","","","1.027","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341970","14.3292","0.0005","14.3292","0.0005","67.288","0.003","90","","90","","120","","11965","0.8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C76 H76 F3 La Mn3 N10 O20 S -","- C75.9997 H75.9993 F3 La Mn3 N9.9999 O19.9999 S -","- C455.998 H455.996 F18 La6 Mn18 N59.9994 O119.999 S6 -","6","0.333333","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.71073","MoKα","","0.0525","0.042","","","0.1034","0.1145","","","","","","1.118","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341971","12.9443","0.0007","14.9826","0.0009","19.835","0.001","84.47","0.003","82.046","0.003","87.539","0.003","3790.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 F3 Mn3 N10 O20 S Yb -","- C76 H76 F3 Mn3 N10 O20 S Yb -","- C152 H152 F6 Mn6 N20 O40 S2 Yb2 -","2","1","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.71073","MoKα","","0.0835","0.0448","","","0.0793","0.0903","","","","","","1.008","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341972","17.899","0.0007","16.8266","0.0006","27.7628","0.001","90","","108.026","0.002","90","","7951.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83.95 H89.9 Gd Mn3 N8.95 O17.48 -","- C83.952 H89.904 Gd Mn3 N8.952 O17.476 -","- C335.808 H359.616 Gd4 Mn12 N35.808 O69.904 -","4","1","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.71073","MoKα","","0.039","0.0287","","","0.0647","0.0702","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341973","14.36","0.003","14.69","0.003","17.01","0.003","106.08","0.03","101.08","0.03","94.65","0.03","3349.1","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H59 Dy F3 Mn3 N7 O20 S -","- C66 H51 Dy F3 Mn3 N7 O20 S -","- C132 H102 Dy2 F6 Mn6 N14 O40 S2 -","2","1","","Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor","Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.","Inorganic chemistry","2015","54","1","59","64","10.1021/ic5015219","","","0.7293","synchrotron","","0.0469","0.0442","","","0.1306","0.1324","","","","","","1.047","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341974","14.51196","0.00011","12.54724","0.00012","13.01629","0.00011","90","","94.3032","0.0007","90","","2363.39","0.04","300","","300","","","","","","","","","4","A 1 n 1","A -2yab","9","Tropylium tin iodide","bis-cycloheptatrienyl lead hexaiodide","","- C14 H14 I6 Sn -","- C14 H14 I6 Sn -","- C56 H56 I24 Sn4 -","4","1","","Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.","Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.","Inorganic chemistry","2015","54","1","370","378","10.1021/ic5025795","powder diffraction","","0.413845","synchrotron","","","","","","","","0.08962","","2.2","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341975","8.05443","0.00002","11.18714","0.00003","14.71927","0.00005","90","","90","","90","","1326.3","0.007","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","Tropylium lead iodide","Cycloheptatrienyl lead triiodide","","- C7 I3 Pb -","- C7 I3 Pb -","- C28 I12 Pb4 -","4","0.5","","Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.","Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.","Inorganic chemistry","2015","54","1","370","378","10.1021/ic5025795","powder diffraction","","0.413674","synchrotron","","","","","","","","0.11565","","1.82","","","","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341976","8.2624","0.0017","14.736","0.003","16.78","0.003","90","","94.78","0.03","90","","2035.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 -","- C26 H19 N5 -","- C104 H76 N20 -","4","1","","Li, Ting-Ting; Li, Fu-Min; Zhao, Wei-Liang; Tian, Yong-Hua; Chen, Yong; Cai, Rong; Fu, Wen-Fu","Highly efficient and selective photocatalytic oxidation of sulfide by a chromophore-catalyst dyad of ruthenium-based complexes.","Inorganic chemistry","2015","54","1","183","191","10.1021/ic5020972","","","0.71073","MoKα","","0.1102","0.0833","","","0.2272","0.2571","","","","","","1.033","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341977","14.34","0.0004","14.0474","0.0004","22.1387","0.0007","90","","100.6","0.003","90","","4383.5","0.2","126.75","0.1","126.75","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H168 Mn8 N24 O48 -","- C128 H166 Mn8 N24 O48 -","- C128 H166 Mn8 N24 O48 -","1","0.25","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0636","0.0563","","","0.1482","0.155","","","","","","1.045","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341978","24.2784","0.0009","13.3684","0.0004","15.9103","0.0006","90","","90","","90","","5163.9","0.3","128.2","0.14","128.2","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C39 H32 Co6 N5 O31 -","- C39 H32 Co6 N5 O31 -","- C156 H128 Co24 N20 O124 -","4","0.5","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0606","0.0573","","","0.1426","0.1448","","","","","","1.147","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341979","21.7672","0.0005","19.633","0.0005","29.4028","0.0006","90","","99.478","0.002","90","","12393.9","0.5","128.6","0.14","128.6","0.14","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C38.25 H42.25 N7.75 O16.75 Zn3 -","- C38.25 H42.25 N7.75 O16.75 Zn3 -","- C306 H338 N62 O134 Zn24 -","8","1","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0527","0.0458","","","0.1298","0.1349","","","","","","1.084","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341980","10.1591","0.0005","17.6487","0.0007","22.6853","0.001","90","","99.592","0.005","90","","4010.5","0.3","127.9","0.4","127.9","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H48 N10 O37 Zn8 -","- C72 H48 N10 O37 Zn8 -","- C72 H48 N10 O37 Zn8 -","1","0.25","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.102","0.0688","","","0.1702","0.1875","","","","","","0.916","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341981","14.4225","0.0004","14.2601","0.0004","22.5106","0.0007","90","","100.154","0.003","90","","4557.2","0.2","127.15","0.1","127.15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cd2 N5 O11 -","- C28 H33 Cd2 N5 O11 -","- C112 H132 Cd8 N20 O44 -","4","1","","Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng","Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.","Inorganic chemistry","2015","54","2","586","595","10.1021/ic502488c","","","0.71073","MoKα","","0.0765","0.0721","","","0.1701","0.1728","","","","","","1.123","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341982","29.845","0.004","27.693","0.004","20.613","0.003","90","","122.146","0.002","90","","14425","4","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C6 H66 As2 K4 N2 O137 P6 W28 Zn2 -","- C6 H12 As2 K4 N2 O137 P6 W28 Zn2 -","- C24 H48 As8 K16 N8 O548 P24 W112 Zn8 -","4","0.5","","Huo, Yu; Huo, Zhiyuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Polyoxotungstate incorporating organotriphosphonate ligands: synthesis, characterization, and catalytic for alkene epoxidation.","Inorganic chemistry","2015","54","2","406","408","10.1021/ic502404m","","","0.71073","MoKα","","0.0989","0.0668","","","0.1673","0.1842","","","","","","1","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341983","15.3697","0.0018","22.755","0.003","29.247","0.004","90","","100.888","0.006","90","","10045","2","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Ag B F4 N36 O12 P4 S4 -","- C68 H96 Ag B F4 N36 O12 P4 S4 -","- C272 H384 Ag4 B4 F16 N144 O48 P16 S16 -","4","1","","Smoleński, Piotr; Pettinari, Claudio; Marchetti, Fabio; Guedes da Silva, M Fátima C; Lupidi, Giulio; Badillo Patzmay, Gretta Veronica; Petrelli, Dezemona; Vitali, Luca A.; Pombeiro, Armando J. L.","Syntheses, Structures, and Antimicrobial Activity of New Remarkably Light-Stable and Water-Soluble Tris(pyrazolyl)methanesulfonate Silver(I) Derivatives of N-Methyl-1,3,5-triaza-7-phosphaadamantane Salt - [mPTA]BF4.","Inorganic chemistry","2015","54","2","434","440","10.1021/ic501855k","","","0.71073","MoKα","","0.0736","0.0489","","","0.111","0.1188","","","","","","1.039","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341984","8.153","0.004","9.129","0.006","13.618","0.007","76.59","0.05","75.01","0.05","68.05","0.04","897.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii) diperchlorate","","","- C26 H40 Cl2 Cu N12 O14 -","- C26 H40 Cl2 Cu N12 O14 -","- C26 H40 Cl2 Cu N12 O14 -","1","0.5","","Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella","Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes.","Inorganic chemistry","2015","54","1","47","58","10.1021/ic501527k","","","0.71073","MoKα","","0.1185","0.0837","","","0.1743","0.2039","","","","","","1.103","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341985","10.259","0.003","12.451","0.003","14.554","0.004","66.14","0.02","74.18","0.02","70.85","0.02","1584.9","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii) diperchlorate dimethyl sulfoxide hexa-solvate","","","- C38 H76 Cl2 Cu N12 O20 S6 -","- C38 H76 Cl2 Cu N12 O20 S6 -","- C38 H76 Cl2 Cu N12 O20 S6 -","1","0.5","","Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella","Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes.","Inorganic chemistry","2015","54","1","47","58","10.1021/ic501527k","","","0.71073","MoKα","","0.1056","0.0641","","","0.1669","0.1933","","","","","","1.038","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341986","9.3285","0.0009","12.55","0.0012","18.9817","0.0018","92.6312","0.0018","93.559","0.0018","101.924","0.002","2166.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis((3,10-bis(2-(3-(4-nitrophenyl)urea)ethyl)-1,3,5,8,10,12-hexa- azacyclotetradecane)-copper(ii)) bis(succinate) dimethylformamide tetra-solvate","","","- C72 H116 Cu2 N28 O24 -","- C72 H116 Cu2 N28 O24 -","- C72 H116 Cu2 N28 O24 -","1","0.5","","Boiocchi, Massimo; Licchelli, Maurizio; Milani, Michele; Poggi, Antonio; Sacchi, Donatella","Oxo-anion recognition by mono- and bisurea pendant-arm macrocyclic complexes.","Inorganic chemistry","2015","54","1","47","58","10.1021/ic501527k","","","0.71073","MoKα","","0.0464","0.038","","","0.1046","0.1117","","","","","","1.051","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341987","12.3879","0.0008","13.3477","0.0009","16.7742","0.0011","96.503","0.002","97.743","0.002","94.44","0.002","2718.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44.5 Cl4 N10 O20 Ru2 -","- C50 H44.5 Cl4 N10 O20 Ru2 -","- C100 H89 Cl8 N20 O40 Ru4 -","2","1","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0386","0.0311","","","0.0783","0.0845","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341988","13.4923","0.0015","14.3557","0.0015","14.6611","0.0017","89.678","0.004","65.882","0.004","69.876","0.004","2403.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13.33 H12 Cl1.33 F0.67 N2.67 O7.33 Ru0.67 -","- C13.3333 H12 Cl1.33333 F0.666667 N2.66667 O7.33333 Ru0.666667 -","- C80 H72 Cl8 F4 N16 O44 Ru4 -","6","3","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0943","0.0481","","","0.0999","0.1159","","","","","","1.002","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341989","13.24","0.003","14.214","0.003","18.518","0.004","95.23","0.03","96.87","0.03","116.81","0.03","3046.3","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 F26 N11 O P4 Ru2 -","- C46 H37 F26 N11 O P4 Ru2 -","- C92 H74 F52 N22 O2 P8 Ru4 -","2","1","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.1097","0.0693","","","0.197","0.2205","","","","","","1.018","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341990","15.58","0.003","21.323","0.003","22.581","0.004","90","","101.034","0.006","90","","7363","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H55 Cl5 F6 N13 O25 P Ru3 -","- C65 H55 Cl5 F6 N13 O25 P Ru3 -","- C260 H220 Cl20 F24 N52 O100 P4 Ru12 -","4","0.5","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0867","0.0644","","","0.1669","0.186","","","","","","1.054","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341991","13.2783","0.0017","22.367","0.003","22.842","0.003","90","","100.173","0.005","90","","6677.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H54 Cl4 N12 O26 Ru3 -","- C62 H54 Cl4 N12 O26 Ru3 -","- C248 H216 Cl16 N48 O104 Ru12 -","4","1","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.1423","0.0777","","","0.1734","0.2045","","","","","","1.09","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341992","13.41","0.002","14.433","0.002","15.012","0.003","74.839","0.007","66.059","0.007","80.026","0.005","2555.7","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H66.5 Cl2 F28 N19.5 O11 P4 Ru4 -","- C87 H66.5 Cl2 F28 N19.5 O11 P4 Ru4 -","- C87 H66.5 Cl2 F28 N19.5 O11 P4 Ru4 -","1","0.5","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.1242","0.0801","","","0.2222","0.2618","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341993","11.624","0.003","13.136","0.003","20.002","0.005","89.67","0.007","84.478","0.008","65.182","0.007","2757.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H41 Cl5 N10 O22.5 Ru2 -","- C50 H41 Cl5 N10 O22.5 Ru2 -","- C100 H82 Cl10 N20 O45 Ru4 -","2","1","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0585","0.0418","","","0.1026","0.1135","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341994","10.7906","0.0012","12.8062","0.0013","22.219","0.003","80.416","0.004","77.861","0.005","66.514","0.003","2741.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H41 F24 N11 O2 P4 Ru2 -","- C46 H41 F24 N11 O2 P4 Ru2 -","- C92 H82 F48 N22 O4 P8 Ru4 -","2","1","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.1118","0.0719","","","0.1788","0.2018","","","","","","1.051","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341995","12.6065","0.0008","13.6669","0.0009","15.8222","0.0011","91.81","0.003","112.224","0.002","116.112","0.002","2200.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C83.2 H65.2 Cl6 F4 N16 O32.6 Ru4 -","- C83.2 H65.2 Cl6 F4 N16 O32.6 Ru4 -","- C83.2 H65.2 Cl6 F4 N16 O32.6 Ru4 -","1","0.5","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0602","0.0452","","","0.113","0.1255","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341996","20.078","0.002","19.058","0.002","28.627","0.003","90","","101.484","0.003","90","","10734.7","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H66 F36 N18 O3 P6 Ru4 -","- C84 H66 F36 N18 O3 P6 Ru4 -","- C336 H264 F144 N72 O12 P24 Ru16 -","4","0.5","","López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni","Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.","Inorganic chemistry","2015","54","2","658","666","10.1021/ic502603e","","","0.71073","MoKα","","0.0965","0.0634","","","0.1709","0.1835","","","","","","1.076","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341997","11.137","0.008","24.04","0.019","8.549","0.007","90","","105.35","0.02","90","","2207","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B Co F4 N4 -","- C24 H30 B Co F4 N4 -","- C96 H120 B4 Co4 F16 N16 -","4","1","","Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.","Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.","Inorganic chemistry","2015","54","2","418","424","10.1021/ic5009279","","","0.71073","MoKα","","0.057","0.0357","","","0.0759","0.0845","","","","","","1.042","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341998","10.824","0.003","13.521","0.004","14.593","0.004","87.014","0.004","84.962","0.004","74.812","0.004","2052.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 B Co N4 -","- C50 H54 B Co N4 -","- C100 H108 B2 Co2 N8 -","2","1","","Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.","Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.","Inorganic chemistry","2015","54","2","418","424","10.1021/ic5009279","","","0.71073","MoKα","","0.1216","0.0558","","","0.1226","0.16","","","","","","1.051","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341999","15.6905","0.001","12.878","0.0008","14.2525","0.0009","90","","109.866","0.001","90","","2708.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl4 Ga2 N4 -","- C24 H30 Cl4 Ga2 N4 -","- C96 H120 Cl16 Ga8 N16 -","4","1","","Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.","Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.","Inorganic chemistry","2015","54","2","418","424","10.1021/ic5009279","","","0.71073","MoKα","","0.0416","0.0398","","","0.0933","0.0939","","","","","","1.407","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342000","21.986","0.0015","21.986","0.0015","11.9576","0.0008","90","","90","","120","","5005.7","0.6","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C26 H32 Cl4 Ga2 N4 -","- C26 H32 Cl4 Ga2 N4 -","- C156 H192 Cl24 Ga12 N24 -","6","1","","Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.","Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.","Inorganic chemistry","2015","54","2","418","424","10.1021/ic5009279","","","0.71073","MoKα","","0.0545","0.0418","","","0.0813","0.0845","","","","","","1.022","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342001","10.661","0.0003","12.2602","0.0003","15.1793","0.0004","90.717","0.001","100.544","0.001","90.15","0.001","1950.35","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 Cl2 N7 O9 Ru -","- C42 H29 Cl2 N7 O9 Ru -","- C84 H58 Cl4 N14 O18 Ru2 -","2","1","","Mardanya, Sourav; Karmakar, Srikanta; Maity, Dinesh; Baitalik, Sujoy","Ruthenium(II) and Osmium(II) Mixed Chelates Based on Pyrenyl-Pyridylimidazole and 2,2'-Bipyridine Ligands as Efficient DNA Intercalators and Anion Sensors.","Inorganic chemistry","2015","54","2","513","526","10.1021/ic502271k","","","0.71073","MoKα","","0.0513","0.0458","","","0.1461","0.1554","","","","","","0.776","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342002","10.6769","0.0003","12.2564","0.0003","15.1793","0.0004","90.466","0.001","100.855","0.001","90.176","0.001","1950.74","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 Cl2 N7 O9 Os -","- C42 H29 Cl2 N7 O9 Os -","- C84 H58 Cl4 N14 O18 Os2 -","2","1","","Mardanya, Sourav; Karmakar, Srikanta; Maity, Dinesh; Baitalik, Sujoy","Ruthenium(II) and Osmium(II) Mixed Chelates Based on Pyrenyl-Pyridylimidazole and 2,2'-Bipyridine Ligands as Efficient DNA Intercalators and Anion Sensors.","Inorganic chemistry","2015","54","2","513","526","10.1021/ic502271k","","","0.71073","MoKα","","0.0431","0.0378","","","0.108","0.1221","","","","","","0.978","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342003","24.8355","0.0018","16.3722","0.0008","17.658","0.001","90","","94.566","0.006","90","","7157.2","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 F24 N2 Ni2 S4 -","- C72 H58 F24 N2 Ni2 S4 -","- C288 H232 F96 N8 Ni8 S16 -","4","0.5","","Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.","Inorganic chemistry","2015","54","2","619","627","10.1021/ic502547y","","","0.71073","MoKα","","0.093","0.0574","","","0.1234","0.1409","","","","","","1.024","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342004","14.0149","0.0008","26.9261","0.0014","18.9431","0.001","90","","98.443","0.005","90","","7071","0.7","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 F12 N S2 -","- C36 H29 F12 N S2 -","- C288 H232 F96 N8 S16 -","8","2","","Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.","Inorganic chemistry","2015","54","2","619","627","10.1021/ic502547y","","","0.71073","MoKα","","0.0993","0.0692","","","0.1719","0.1974","","","","","","1.029","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342005","14.809","0.001","16.2035","0.001","17.0702","0.0006","93.146","0.004","102.549","0.004","114.453","0.006","3591","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 F24 N2 S4 Zn2 -","- C72 H58 F24 N2 S4 Zn2 -","- C144 H116 F48 N4 S8 Zn4 -","2","1","","Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.","Inorganic chemistry","2015","54","2","619","627","10.1021/ic502547y","","","0.71073","MoKα","","0.0663","0.0505","","","0.1221","0.135","","","","","","1.028","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342006","9.6517","0.0009","15.0585","0.0012","16.2831","0.0015","76.671","0.007","86.448","0.008","79.009","0.007","2260.2","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 F12 N3 Ni S2 -","- C47 H41 F12 N3 Ni S2 -","- C94 H82 F24 N6 Ni2 S4 -","2","1","","Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.","Inorganic chemistry","2015","54","2","619","627","10.1021/ic502547y","","","0.71073","MoKα","","0.1167","0.0703","","","0.1546","0.1901","","","","","","1.027","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342007","6.883","0.0006","6.2815","0.0005","24.85","0.002","90","","91.258","0.009","90","","1074.14","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Ni O12 S2 -","- C14 H26 Ni O12 S2 -","- C28 H52 Ni2 O24 S4 -","2","0.5","","Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan","Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.","Inorganic chemistry","2015","54","2","619","627","10.1021/ic502547y","","","0.71073","MoKα","","0.0761","0.0493","","","0.0912","0.1025","","","","","","1.057","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342008","11.2993","0.0008","11.5139","0.0008","13.7574","0.001","88.272","0.004","76.22","0.004","88.984","0.004","1737.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H44 B13 Co N6 O31 -","- C6 H44 B13 Co N6 O31 -","- C12 H88 B26 Co2 N12 O62 -","2","1","","Altahan, Mohammed A.; Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.","A New Decaoxidooctaborate(2-) Anion, [B8O10(OH)6](2-): Synthesis and Characterization of [Co(en)3][B5O6(OH)4][B8O10(OH)6)]·5H2O (en = 1,2-Diaminoethane).","Inorganic chemistry","2015","54","2","412","414","10.1021/ic5027834","","","0.71075","MoKα","","0.0645","0.0463","","","0.1182","0.128","","","","","","1.043","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342009","35.454","0.002","10.5231","0.0007","17.9959","0.0012","90","","115.194","0.001","90","","6075.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N4 O4 Rh -","- C34 H32 Co N4 O4 Rh -","- C272 H256 Co8 N32 O32 Rh8 -","8","1","","Imler, Gregory H.; Peters, Garvin M.; Zdilla, Michael J.; Wayland, Bradford B.","Heterobimetallic Complexes of Rhodium Dibenzotetramethylaza[14]annulene [(tmtaa)Rh-M]: Formation, Structures, and Bond Dissociation Energetics.","Inorganic chemistry","2015","54","1","273","279","10.1021/ic502414r","","","0.71073","MoKα","","0.0868","0.0432","","","0.067","0.0774","","","","","","0.982","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342010","10.7295","0.0007","11.5936","0.0007","12.5401","0.0013","98.187","0.002","111.431","0.002","113.253","0.001","1256.93","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Mn N4 O5 Rh -","- C27 H22 Mn N4 O5 Rh -","- C54 H44 Mn2 N8 O10 Rh2 -","2","1","","Imler, Gregory H.; Peters, Garvin M.; Zdilla, Michael J.; Wayland, Bradford B.","Heterobimetallic Complexes of Rhodium Dibenzotetramethylaza[14]annulene [(tmtaa)Rh-M]: Formation, Structures, and Bond Dissociation Energetics.","Inorganic chemistry","2015","54","1","273","279","10.1021/ic502414r","","","0.71073","MoKα","","0.0274","0.0226","","","0.0518","0.0538","","","","","","1.06","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342011","16.5043","0.0008","9.4951","0.0004","17.6056","0.0008","90","","115.559","0.001","90","","2489","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Fe N4 O2 Rh -","- C29 H27 Fe N4 O2 Rh -","- C116 H108 Fe4 N16 O8 Rh4 -","4","1","","Imler, Gregory H.; Peters, Garvin M.; Zdilla, Michael J.; Wayland, Bradford B.","Heterobimetallic Complexes of Rhodium Dibenzotetramethylaza[14]annulene [(tmtaa)Rh-M]: Formation, Structures, and Bond Dissociation Energetics.","Inorganic chemistry","2015","54","1","273","279","10.1021/ic502414r","","","0.71073","MoKα","","0.0351","0.0243","","","0.0547","0.0589","","","","","","1.027","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342012","10.787","0.0009","11.9979","0.001","12.17","0.001","70.672","0.002","75.601","0.001","70.476","0.001","1383.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Co N4 O4 Rh -","- C26 H22 Co N4 O4 Rh -","- C52 H44 Co2 N8 O8 Rh2 -","2","1","","Imler, Gregory H.; Peters, Garvin M.; Zdilla, Michael J.; Wayland, Bradford B.","Heterobimetallic Complexes of Rhodium Dibenzotetramethylaza[14]annulene [(tmtaa)Rh-M]: Formation, Structures, and Bond Dissociation Energetics.","Inorganic chemistry","2015","54","1","273","279","10.1021/ic502414r","","","0.71073","MoKα","","0.0379","0.0323","","","0.0855","0.0882","","","","","","1.044","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342013","13.3863","0.0006","13.3863","0.0006","13.3863","0.0006","90","","90","","90","","2398.73","0.19","298","2","298.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H52 Br6 Cu4 N8 -","- C24 H52 Br6 Cu4 N8 -","- C48 H104 Br12 Cu8 N16 -","2","0.0416667","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0829","0.0714","","","0.206","0.2144","","","","","","1.152","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342014","13.4124","0.0007","13.4124","0.0007","13.4124","0.0007","90","","90","","90","","2412.8","0.2","298","2","298.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H36 Br6 Cu4.56 N8 -","- C24 H36 Br6 Cu4.56 N8 -","- C48 H72 Br12 Cu9.12 N16 -","2","0.0416667","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0912","0.0749","","","0.2101","0.2206","","","","","","1.128","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342015","13.4488","0.0003","13.4488","0.0003","13.4488","0.0003","90","","90","","90","","2432.49","0.09","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C24 Br6 Cu4.81 N8 -","- C24 Br6 Cu4.812 N8 -","- C48 Br12 Cu9.624 N16 -","2","0.0416667","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0418","0.0411","","","0.1105","0.1109","","","","","","1.196","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342016","13.4786","0.0003","13.4786","0.0003","13.4786","0.0003","90","","90","","90","","2448.69","0.09","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu5.27 N8 -","- C24 Br6 Cu5.2 N8 -","- C48 Br12 Cu10.4 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0697","0.0638","","","0.2641","0.2684","","","","","","1.242","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342017","13.5186","0.0003","13.5186","0.0003","13.5186","0.0003","90","","90","","90","","2470.56","0.09","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu5.39 N8 -","- C24 Br6 Cu5.384 N8 -","- C48 Br12 Cu10.768 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0582","0.0472","","","0.1279","0.1325","","","","","","1.214","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342018","13.5838","0.0004","13.5838","0.0004","13.5838","0.0004","90","","90","","90","","2506.48","0.13","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu6.577 N8 -","- C24 Br6 Cu6.57688 N8.00016 -","- C48 Br12 Cu13.1538 N16.0003 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.078246","0.065596","","","","0.183591","","","","","","0.993825","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342019","13.5926","0.0005","13.5926","0.0005","13.5926","0.0005","90","","90","","90","","2511.35","0.16","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu6.78 N8 -","- C24 Br6 Cu6.784 N8 -","- C48 Br12 Cu13.568 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0778","0.0613","","","0.232","0.243","","","","","","1.283","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342020","13.6261","0.0004","13.6261","0.0004","13.6261","0.0004","90","","90","","90","","2529.97","0.13","298","2","298.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C24 Br6 Cu8 N8 -","- C24 Br6 Cu8 N8 -","- C48 Br12 Cu16 N16 -","2","0.0208333","","Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang","A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.","Inorganic chemistry","2015","54","2","554","559","10.1021/ic5024168","","","0.71073","MoKα","","0.0914","0.0791","","","0.2407","0.2479","","","","","","1.119","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342021","9.502","0.009","19.368","0.012","14.872","0.013","90","","90","","90","","2737","4","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H27 Cl4 N3 O2 Zn -","- C27 H27 Cl4 N3 O2 Zn -","- C108 H108 Cl16 N12 O8 Zn4 -","4","1","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.118","0.0613","","","0.1344","0.1572","","","","","","0.916","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342022","21.456","0.002","15.867","0.002","20.628","0.003","90","","120.608","0.003","90","","6044.2","1.3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 Br4 Cl4 N6 O6 Zn2 -","- C54 H58 Br4 Cl4 N6 O6 Zn2 -","- C216 H232 Br16 Cl16 N24 O24 Zn8 -","4","0.5","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.0875","0.051","","","0.1468","0.1622","","","","","","1.047","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342023","13.8678","0.0011","14.6941","0.0012","15.942","0.0013","77.562","0.001","68.266","0.001","87.571","0.001","2944.3","0.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58 Br2 Cl4 N6 O6 Zn3 -","- C56 H58 Br2 Cl4 N6 O6 Zn3 -","- C112 H116 Br4 Cl8 N12 O12 Zn6 -","2","1","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.0759","0.0515","","","0.1448","0.1776","","","","","","1.033","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342024","15.0843","0.0011","14.1049","0.0011","58.538","0.004","90","","93.285","0.001","90","","12434.2","1.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.5 H57 Cl4 I2 N6 O7 Zn3 -","- C54.5 H57 Cl4 I2 N6 O7 Zn3 -","- C436 H456 Cl32 I16 N48 O56 Zn24 -","8","2","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.1709","0.086","","","0.2045","0.2296","","","","","","1.044","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342025","18.113","0.003","25.387","0.003","27.136","0.005","90","","108.593","0.003","90","","11827","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H55 Cl6 N6 O8.5 Zn3 -","- C54.5 H55 Cl6 N6 O8.5 Zn3 -","- C436 H440 Cl48 N48 O68 Zn24 -","8","1","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.1545","0.0653","","","0.1491","0.1715","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342026","18.138","0.003","25.593","0.005","26.533","0.005","90","","107.924","0.003","90","","11719","4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Br2 Cl4 N6 O7 Zn3 -","- C54 H52 Br2 Cl4 N6 O7 Zn3 -","- C432 H416 Br16 Cl32 N48 O56 Zn24 -","8","1","","Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei","Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.","Inorganic chemistry","2015","54","2","675","681","10.1021/ic502642q","","","0.71073","MoKα","","0.2183","0.1247","","","0.2869","0.3248","","","","","","0.955","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342027","9.4444","0.0002","13.4186","0.0002","17.9179","0.0003","75.372","0.001","87.831","0.001","88.556","0.001","2195.28","0.07","123","2","123","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- Cl8 Ga2 Sb4 Te4 -","- Cl8 Ga2 Sb4 Te4 -","- Cl32 Ga8 Sb16 Te16 -","4","2","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.0608","0.0361","","","0.0659","0.073","","","","","","1.066","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342028","10.2435","0.0006","8.542","0.0005","17.4681","0.001","90","","97.905","0.002","90","","1513.93","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al I5 Sb2 Te2 -","- Al I5 Sb2 Te2 -","- Al4 I20 Sb8 Te8 -","4","1","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.0831","0.0428","","","0.0874","0.1016","","","","","","1.046","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342029","12.8796","0.0003","4.2248","0.0001","10.5753","0.0003","90","","98.535","0.002","90","","569.07","0.03","123","2","123","2","","","","","","","synthesis as described","4","C 1 2/m 1","-C 2y","12","","","","- Bi2 Cl5 Ga Te2 -","- Bi2 Cl5 Ga Te2 -","- Bi4 Cl10 Ga2 Te4 -","2","0.25","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.0184","0.0171","","","0.0389","0.0396","","","","","","1.064","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342030","12.6243","0.0009","4.0495","0.0002","10.4926","0.0007","90","","99.945","0.004","90","","528.34","0.06","123","2","123","2","","","","","","","synthesis as described","4","C 1 2/m 1","-C 2y","12","","","","- Bi2 Cl5 Ga Se2 -","- Bi2 Cl5 Ga Se2 -","- Bi4 Cl10 Ga2 Se4 -","2","0.25","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.0582","0.0382","","","0.0679","0.075","","","","","","1.057","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342031","14.4533","0.0014","4.1958","0.0004","12.8996","0.0012","90","","111.797","0.004","90","","726.34","0.12","123","2","123","2","","","","","","","synthesis as described","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Ga Sb3 Te4 -","- Cl4 Ga Sb3 Te4 -","- Cl8 Ga2 Sb6 Te8 -","2","0.25","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.0471","0.029","","","0.0488","0.0532","","","","","","1.088","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342032","7.1476","0.0005","18.8547","0.0015","12.8699","0.0008","90","","94.24","0.004","90","","1729.7","0.2","123","2","123","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- Cl7 Ga2 Sb Te4 -","- Cl7 Ga2 Sb Te4 -","- Cl28 Ga8 Sb4 Te16 -","4","1","","Eich, Andreas; Bredow, Thomas; Beck, Johannes","Mixed pentele-chalcogen cationic chains from aluminum and gallium halide melts.","Inorganic chemistry","2015","54","2","484","491","10.1021/ic502199v","","x-ray","0.71073","MoKα","","0.1027","0.0507","","","0.0944","0.1092","","","","","","1.077","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342033","9.845","0.0006","11.0807","0.0007","12.7574","0.0008","67.288","0.002","89.853","0.002","84.338","0.002","1276.56","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Fe N O22 Th -","- C14 H19 Fe N O22 Th -","- C28 H38 Fe2 N2 O44 Th2 -","2","1","","Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.","Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.","Inorganic chemistry","2015","54","4","1395","1404","10.1021/ic502313y","","","0.71073","MoKα","","0.0223","0.0214","","","0.0577","0.0582","","","","","","1.085","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342034","15.7617","0.0012","17.4826","0.0012","20.0679","0.0011","80.054","0.002","88.89","0.002","67.436","0.002","5023.1","0.6","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Al8 N4 O50 Th2 -","- C24 H32 Al8 N4 O50 Th2 -","- C48 H64 Al16 N8 O100 Th4 -","2","1","","Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.","Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.","Inorganic chemistry","2015","54","4","1395","1404","10.1021/ic502313y","","","0.71073","MoKα","","0.0378","0.0305","","","0.0983","0.104","","","","","","1.069","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342035","16.12","0.003","18.483","0.004","23.185","0.005","67.314","0.006","87.448","0.006","65.143","0.005","5726","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H84 N12 Na4 O75 Th6 -","- C60 H84 N12 Na4 O75 Th6 -","- C120 H168 N24 Na8 O150 Th12 -","2","1","","Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.","Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.","Inorganic chemistry","2015","54","4","1395","1404","10.1021/ic502313y","","","0.71073","MoKα","","0.0607","0.0443","","","0.1143","0.1241","","","","","","1.053","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342036","8.5608","0.0008","9.0331","0.0009","11.1343","0.0012","92.821","0.003","107.049","0.003","96.058","0.003","815.67","0.14","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N2 O10 Th -","- C9 H15 N2 O10 Th -","- C18 H30 N4 O20 Th2 -","2","1","","Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.","Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.","Inorganic chemistry","2015","54","4","1395","1404","10.1021/ic502313y","","","0.71073","MoKα","","0.0142","0.0131","","","0.0371","0.0377","","","","","","1.073","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342037","10.0478","0.0019","11.179","0.0016","19.543","0.003","105.371","0.005","90.295","0.006","106.281","0.005","2024.3","0.6","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H102 Fe4 N12 O51 Th2 -","- C52 H102 Fe4 N12 O51 Th2 -","- C52 H102 Fe4 N12 O51 Th2 -","1","0.5","","Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.","Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.","Inorganic chemistry","2015","54","4","1395","1404","10.1021/ic502313y","","","0.71073","MoKα","","0.0895","0.0503","","","0.0976","0.1134","","","","","","0.987","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342038","43.6689","0.0007","19.2964","0.0003","26.5627","0.0004","90","","94.788","0.002","90","","22305","0.6","100","2","100","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H190 N4 Na24 Ni4 O241 Sb4 W40 -","- C12 H4 N4 Na11.4 Ni4 O191 Sb4 W40 -","- C48 H16 N16 Na45.6 Ni16 O764 Sb16 W160 -","4","0.5","","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Lezama, Luis; Pache, Aroa; Vicent, Cristian; Gutiérrez-Zorrilla, Juan M","Rearrangement of a Krebs-Type Polyoxometalate upon Coordination of N,O-Bis(bidentate) Ligands.","Inorganic chemistry","2015","54","2","409","411","10.1021/ic5026729","","x-ray","1.54184","CuKα","","0.0763","0.0635","","","0.1649","0.1789","","","","","","1.098","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342039","23.267","0.018","8.902","0.007","11.967","0.009","90","","114.198","0.013","90","","2261","3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Fe N6 O6 -","- C24 H16 Fe N6 O6 -","- C96 H64 Fe4 N24 O24 -","4","0.5","","Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure","Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability.","Inorganic chemistry","2015","54","4","1791","1799","10.1021/ic5027043","","x-ray","0.71073","MoKα","","0.0718","0.0431","","","0.0992","0.113","","","","","","1.016","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342040","22.948","0.002","9.076","0.0008","11.942","0.0009","90","","119.587","0.002","90","","2162.9","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Fe N6 O6 -","- C24 H16 Fe N6 O6 -","- C96 H64 Fe4 N24 O24 -","4","0.5","","Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure","Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability.","Inorganic chemistry","2015","54","4","1791","1799","10.1021/ic5027043","","x-ray","0.71073","MoKα","","0.0881","0.0465","","","0.0833","0.0961","","","","","","1.041","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342041","19.2422","0.0013","10.4155","0.0009","12.9086","0.001","90","","90","","90","","2587.1","0.3","100","1","100","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C32 H20 Fe N6 O6 -","- C32 H20 Fe N6 O6 -","- C128 H80 Fe4 N24 O24 -","4","0.5","","Iasco, Olga; Rivière, Eric; Guillot, Régis; Buron-Le Cointe, Marylise; Meunier, Jean-François; Bousseksou, Azzedine; Boillot, Marie-Laure","Fe(II)(pap-5NO2)2 and Fe(II)(qsal-5NO2)2 Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability.","Inorganic chemistry","2015","54","4","1791","1799","10.1021/ic5027043","","x-ray","0.71073","MoKα","","0.0902","0.0547","","","0.1333","0.1557","","","","","","1.036","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342042","17.324","0.006","15.319","0.005","26.351","0.009","90","","105.76","0.004","90","","6730","4","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H82 B2 N4 Pt Rh2 S2 -","- C77 H67 B2 N4 Pt Rh2 S2 -","- C308 H268 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0597","","","","0.1216","","","","","","1.035","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342043","12.236","0.004","19.912","0.006","28.688","0.009","90","","92.909","0.005","90","","6981","4","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 B2 N4 Pt Rh2 S2 -","- C78 H84 B2 N4 Pt Rh2 S2 -","- C312 H336 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.7107","MoKα","","","0.0681","","","","0.1539","","","","","","1.079","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342044","18.9565","0.0011","14.9634","0.0007","25.6965","0.0015","90","","106.187","0.0019","90","","7000","0.7","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H86 B2 N4 Pt Rh2 S2 -","- C79 H86 B2 N4 Pt Rh2 S2 -","- C316 H344 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0583","","","","0.1313","","","","","","1.11","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342045","17.302","0.004","15.37","0.004","26.254","0.007","90","","105.539","0.0019","90","","6727","3","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H82 B2 Ir2 N4 Pt S2 -","- C77 H67 B2 Ir2 N4 Pt S2 -","- C308 H268 B8 Ir8 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0424","","","","0.0931","","","","","","1.044","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342046","12.25","0.0009","19.8908","0.0015","28.782","0.003","90","","92.822","0.005","90","","7004.6","1","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 B2 Ir2 N4 Pt S2 -","- C78 H84 B2 Ir2 N4 Pt S2 -","- C312 H336 B8 Ir8 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.064","","","","0.1887","","","","","","1.104","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342047","23.8431","0.001","14.1692","0.0005","22.8653","0.0009","90","","95.6","0.002","90","","7687.9","0.5","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H90 B2 N4 Pt Rh2 S2 -","- C81 H90 B2 N4 Pt Rh2 S2 -","- C324 H360 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0681","","","","0.1915","","","","","","1.101","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342048","23.793","0.007","14.207","0.004","22.813","0.007","90","","95.626","0.003","90","","7674","4","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H90 B2 Ir2 N4 Pt S2 -","- C81 H90 B2 Ir2 N4 Pt S2 -","- C324 H360 B8 Ir8 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0618","","","","0.1666","","","","","","1.113","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342049","14.589","0.004","22.89","0.006","25.844","0.007","111.561","0.003","91.835","0.005","90.054","0.003","8022","4","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H92 B2 Cl2 N4 Pt Rh2 S2 -","- C90 H81 B2 Cl2 N4 Pt Rh2 S2 -","- C360 H324 B8 Cl8 N16 Pt4 Rh8 S8 -","4","2","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0563","","","","0.1441","","","","","","1.095","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342050","14.132","0.004","20.055","0.005","30.782","0.008","90","","101.775","0.003","90","","8541","4","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H86 B2 Cl12 N4 Pd Rh2 S2 -","- C81 H83 B2 Cl12 N4 Pd Rh2 S2 -","- C324 H332 B8 Cl48 N16 Pd4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0734","","","","0.1603","","","","","","1.031","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342051","14.299","0.006","14.446","0.005","21.972","0.01","71.881","0.013","88.349","0.018","66.481","0.012","3931","3","193","","193","","","","","","","","","9","P -1","-P 1","2","","","","- C84.5 H100 B2 Cl N4 O1.5 Pd Rh2 S2 -","- C84.5 H84 B2 Cl N4 O1.5 Pd Rh2 S2 -","- C169 H168 B4 Cl2 N8 O3 Pd2 Rh4 S4 -","2","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0604","","","","0.1412","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342052","14.102","0.003","20.038","0.004","30.732","0.006","90","","101.799","0.003","90","","8501","3","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H88.5 B2 Cl9.5 Ir2 N4 Pd S2 -","- C81 H83 B2 Cl9.4996 Ir2 N4 Pd S2 -","- C324 H332 B8 Cl37.9984 Ir8 N16 Pd4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.","Inorganic chemistry","2015","54","2","448","459","10.1021/ic502039d","","","0.71075","MoKα","","","0.0514","","","","0.1241","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342053","14.1815","0.0005","14.9361","0.0005","20.2894","0.0007","101.274","0.003","105.565","0.003","105.842","0.003","3811.6","0.3","199.95","0.1","199.95","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C72 H71 B Br3 N4 O P3 S4 W3 -","- C72 H71 B Br3 N4 O P3 S4 W3 -","- C144 H142 B2 Br6 N8 O2 P6 S8 W6 -","2","1","","Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa","Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.","Inorganic chemistry","2015","54","2","607","618","10.1021/ic5025313","","","0.7107","MoKα","","0.0417","0.033","","","0.0852","0.0922","","","","","","1.073","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342054","14.2869","0.0003","15.6823","0.0003","17.6782","0.0003","75.7547","0.0014","71.0168","0.0016","65.35","0.0017","3375.9","0.12","199.95","0.1","199.95","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C67 H70 B Cl2 F3 N3 P3 S4 W3 -","- C67 H70 B Cl2 F3 N3 P3 S4 W3 -","- C134 H140 B2 Cl4 F6 N6 P6 S8 W6 -","2","1","","Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa","Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.","Inorganic chemistry","2015","54","2","607","618","10.1021/ic5025313","","","0.71073","MoKα","","0.0302","0.0249","","","0.0571","0.0613","","","","","","1.068","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342055","13.6639","0.0003","15.5155","0.0003","18.3338","0.0003","100.704","0.0014","100.802","0.0014","108.188","0.0017","3500.76","0.13","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C67 H66 B Cl5 N3 P3 S4 W3 -","- C67 H65 B Cl5 N3 P3 S4 W3 -","- C134 H130 B2 Cl10 N6 P6 S8 W6 -","2","1","","Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa","Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.","Inorganic chemistry","2015","54","2","607","618","10.1021/ic5025313","","","0.71073","MoKα","","0.0429","0.036","","","0.0796","0.084","","","","","","1.131","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342056","16.3126","0.0003","16.3126","0.0003","27.3343","0.0004","90","","90","","120","","6299.19","0.19","293","2","293","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C90 H66 F12 N12 P8 S14 W6 -","- C90 H66 F12 N12 P8 S14 W6 -","- C180 H132 F24 N24 P16 S28 W12 -","2","0.333333","","Beltrán, Tomás F; Pino-Chamorro, Jose Ángel; Fernández-Trujillo, M Jesús; Safont, Vicent S.; Basallote, Manuel G.; Llusar, Rosa","Synthesis and Structure of Trinuclear W3S4 Clusters Bearing Aminophosphine Ligands and Their Reactivity toward Halides and Pseudohalides.","Inorganic chemistry","2015","54","2","607","618","10.1021/ic5025313","","x-ray","1.54184","CuKα","","0.0485","0.0413","","","0.1221","0.1257","","","","","","1.134","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342057","10.21123","0.00012","12.79865","0.00017","24.1186","0.0003","90","","94.6997","0.001","90","","3141.46","0.07","243.1","0.1","243.1","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 N P2 Re S3 -","- C33 H32 N P2 Re S3 -","- C132 H128 N4 P8 Re4 S12 -","4","1","","Salvarese, Nicola; Dolmella, Alessandro; Refosco, Fiorenzo; Bolzati, Cristina","Reactivity of the [M(PS)2](+) Building Block (M = Re(III) and (99m)Tc(III); PS = Phosphinothiolate) toward Isopropylxanthate and Pyridine-2-thiolate.","Inorganic chemistry","2015","54","4","1634","1644","10.1021/ic502632h","","","0.7107","MoKα","","0.0368","0.03","","","0.0594","0.0617","","","","","","1.197","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342058","8.474","0.0015","8.474","0.0015","8.474","0.0015","90","","90","","90","","608.51","0.19","296","2","296","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- P2 Pt6 Sr -","- P2 Pt6 Sr -","- P8 Pt24 Sr4 -","4","0.166667","","Lv, Bing; Jawdat, BenMaan I; Wu, Zheng; Sorolla, 2nd, Maurice; Gooch, Melissa; Zhao, Kui; Deng, Liangzi; Xue, Yu-Yi; Lorenz, Bernd; Guloy, Arnold M.; Chu, Ching-Wu","Synthesis, Structure, and Superconductivity in the New-Structure-Type Compound: SrPt6P2.","Inorganic chemistry","2015","54","3","1049","1054","10.1021/ic502377v","","","0.71073","MoKα","","0.0343","0.0318","","","0.0774","0.0786","","","","","","1.223","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342059","21.5265","0.0006","20.3836","0.0005","16.0286","0.0006","90","","99.309","0.003","90","","6940.5","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H64 B2 F4 N6 O12 Zn2 -","- C59 H64 B2 F4 N6 O12 Zn2 -","- C236 H256 B8 F16 N24 O48 Zn8 -","4","0.5","","Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting","Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1346","1353","10.1021/ic502219y","","","1.54178","CuKα","","0.0969","0.08","","","0.2563","0.2801","","","","","","1.007","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342060","14.1522","0.0001","21.2273","0.0002","22.7075","0.0003","90","","121.723","0.001","90","","5802.48","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H58 B2 Cd2 F4 N6 O11 -","- C57 H58 B2 Cd2 F4 N6 O11 -","- C228 H232 B8 Cd8 F16 N24 O44 -","4","1","","Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting","Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1346","1353","10.1021/ic502219y","","","1.54178","CuKα","","0.0705","0.0629","","","0.182","0.1904","","","","","","1.043","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342061","13.984","0.003","15.99","0.003","19.551","0.004","81.83","0.03","75.48","0.03","70.58","0.03","3983","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H53 B Cd2 F2 N10 O10 -","- C57 H53 B Cd2 F2 N10 O10 -","- C114 H106 B2 Cd4 F4 N20 O20 -","2","1","","Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting","Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1346","1353","10.1021/ic502219y","","","0.71073","MoKα","","0.1271","0.0823","","","0.2233","0.25","","","","","","1.001","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342062","11.134","0.002","28.426","0.006","10.754","0.002","90","","110.95","0.03","90","","3178.6","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 B Cd F2 N4 O6 -","- C30 H32 B Cd F2 N4 O6 -","- C120 H128 B4 Cd4 F8 N16 O24 -","4","1","","Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting","Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1346","1353","10.1021/ic502219y","","","0.71073","MoKα","","0.1086","0.0935","","","0.262","0.277","","","","","","1.1","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342063","21.466","0.004","21.361","0.004","16.675","0.003","90","","97.83","0.03","90","","7575","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B Cd F2 N3 O4 -","- C27 H23 B Cd F2 N3 O4 -","- C216 H184 B8 Cd8 F16 N24 O32 -","8","1","","Li, Ming; Yao, Yi; Ding, Jie; Liu, Lu; Qin, Jianhua; Zhao, Yaopeng; Hou, Hongwei; Fan, Yaoting","Spectroscopic and Crystallographic Investigations of Novel BODIPY-Derived Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1346","1353","10.1021/ic502219y","","","0.71073","MoKα","","0.0853","0.0728","","","0.2548","0.2714","","","","","","1.009","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342064","7.3806","0.0006","9.3367","0.0008","14.1223","0.0011","91.363","0.004","99.06","0.004","112.882","0.003","881.53","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 N2 O6 S2 Zn -","- C15 H9 N2 O6 S2 Zn -","- C30 H18 N4 O12 S4 Zn2 -","2","1","","Sanda, Suresh; Biswas, Soumava; Konar, Sanjit","Study of Proton Conductivity of a 2D Flexible MOF and a 1D Coordination Polymer at Higher Temperature.","Inorganic chemistry","2015","54","4","1218","1222","10.1021/ic502098h","","","0.71073","MoKα","","0.0573","0.056","","","0.1444","0.1452","","","","","","1.152","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342065","9.042","0.002","10.886","0.003","11.504","0.003","92.538","0.01","107.026","0.009","104.393","0.009","1040.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 N2 O9 S2 Zn -","- C15 H9 N2 O9 S2 Zn -","- C30 H18 N4 O18 S4 Zn2 -","2","1","","Sanda, Suresh; Biswas, Soumava; Konar, Sanjit","Study of Proton Conductivity of a 2D Flexible MOF and a 1D Coordination Polymer at Higher Temperature.","Inorganic chemistry","2015","54","4","1218","1222","10.1021/ic502098h","","","0.71073","MoKα","","0.0342","0.0328","","","0.1491","0.151","","","","","","1.43","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342066","8.7955","0.0002","10.6267","0.0002","12.8493","0.0002","81.734","0.001","86.486","0.001","73.695","0.001","1140.43","0.04","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 N7 -","- C22 H36 N7 -","- C44 H72 N14 -","2","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0561","0.0495","","","0.1199","0.1264","","","","","","0.931","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342067","14.2988","0.0004","14.2988","0.0004","20.8543","0.0005","90","","90","","120","","3692.54","0.17","133","2","133","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H54 Mg N12 -","- C38 H54 Mg N12 -","- C114 H162 Mg3 N36 -","3","0.166667","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0668","0.0554","","","0.1694","0.1851","","","","","","1.105","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342068","10.8146","0.0002","14.2332","0.0002","21.6603","0.0003","85.145","0.001","77.664","0.001","71.209","0.001","3083.06","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 Ca N12 -","- C66 H86 Ca N12 -","- C132 H172 Ca2 N24 -","2","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.1153","0.0932","","","0.2428","0.2637","","","","","","1.063","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342069","10.8594","0.0003","10.8946","0.0003","14.2364","0.0003","84.439","0.001","70.704","0.001","77.148","0.001","1549.35","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H86 N12 Sr -","- C66 H86 N12 Sr -","- C66 H86 N12 Sr -","1","0.5","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0537","0.0496","","","0.1216","0.1256","","","","","","1.078","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342070","9.9824","0.0002","21.6608","0.0004","10.9294","0.0002","90","","117.173","0.001","90","","2102.4","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N6 S3 -","- C22 H16 N6 S3 -","- C88 H64 N24 S12 -","4","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0581","0.0486","","","0.1035","0.1088","","","","","","1.084","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342071","11.2358","0.0002","13.9374","0.0002","24.0763","0.0003","88.213","0.001","85.537","0.001","74.003","0.001","3613.12","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H72 Ca N12 O2 S6 -","- C76 H72 Ca N12 O2 S6 -","- C152 H144 Ca2 N24 O4 S12 -","2","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0849","0.0749","","","0.2005","0.2114","","","","","","1.034","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342072","10.0449","0.0003","10.1005","0.0004","12.2584","0.0003","84.551","0.002","85.855","0.002","61.404","0.002","1086.56","0.06","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Mg N12 S6 -","- C42 H34 Mg N12 S6 -","- C42 H34 Mg N12 S6 -","1","0.5","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0957","0.0799","","","0.2093","0.2268","","","","","","1.101","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342073","9.4771","0.0002","14.7875","0.0003","16.0053","0.0003","90","","94.129","0.001","90","","2237.2","0.08","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Ca2 N12 S4 -","- C40 H52 Ca2 N12 S4 -","- C80 H104 Ca4 N24 S8 -","2","0.5","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0325","0.0297","","","0.0761","0.0783","","","","","","1.043","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342074","9.6974","0.0003","7.794","0.0003","17.8919","0.0005","90","","100.821","0.002","90","","1328.25","0.08","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N7 S2 Sr -","- C23 H33 N7 S2 Sr -","- C46 H66 N14 S4 Sr2 -","2","1","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0437","0.0414","","","0.0982","0.0999","","","","","","0.805","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342075","17.8451","0.0004","9.615","0.0002","35.866","0.0007","90","","90","","90","","6153.9","0.2","133","2","133","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H40 Ba N8 S2 -","- C26 H40 Ba N8 S2 -","- C208 H320 Ba8 N64 S16 -","8","2","","Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.","Inorganic chemistry","2015","54","2","635","645","10.1021/ic5025907","","","0.71073","MoKα","","0.0536","0.0418","","","0.0758","0.0805","","","","","","1.13","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342076","43.009","0.002","9.6038","0.0004","25.0691","0.0011","90","","105.365","0.005","90","","9984.7","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C89 H110 Cd2 N Na O24 -","- C89 H56 Cd2 N Na O24 -","- C356 H224 Cd8 N4 Na4 O96 -","4","1","","Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.","Inorganic chemistry","2015","54","4","1744","1755","10.1021/ic502686b","","","0.71073","MoKα","","0.1914","0.0964","","","0.2159","0.2814","","","","","","1.017","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342077","23.617","0.005","16.814","0.005","26.617","0.005","90","0.005","106.73","0.005","90","0.005","10122","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H120 Cd N2 O21 -","- C84 H92 Cd O16 -","- C336 H368 Cd4 O64 -","4","1","","Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.","Inorganic chemistry","2015","54","4","1744","1755","10.1021/ic502686b","","","0.71069","MoKα","","0.2021","0.0877","","","0.2079","0.2511","","","","","","0.841","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342078","18.4227","0.0008","25.1622","0.001","26.4861","0.0012","102.226","0.004","108.386","0.004","102.38","0.004","10850.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H197 N Na3 O35 Zn2 -","- C170 H147 N Na3 O35 Zn2 -","- C340 H294 N2 Na6 O70 Zn4 -","2","1","","Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.","Inorganic chemistry","2015","54","4","1744","1755","10.1021/ic502686b","","","0.71073","MoKα","","0.3473","0.1208","","","0.2378","0.2997","","","","","","1.191","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342079","17.771","0.001","19.662","0.001","30.509","0.001","90.694","0.001","101.451","0.001","108.184","0.002","9894.8","0.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H189 Ag25 N15 Nb3 O62 P2 W15 -","- C126 H144 Ag25 N15 Nb3 O62 P2 W15 -","- C252 H288 Ag50 N30 Nb6 O124 P4 W30 -","2","1","","Kurasawa, Mariko; Arisaka, Fumio; Ozeki, Tomoji","Asymmetrically fused polyoxometalate-silver alkynide composite cluster.","Inorganic chemistry","2015","54","4","1650","1654","10.1021/ic502644v","","","0.71073","MoKα","","0.0917","0.0503","","","0.1091","0.1223","","","","","","0.89","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342080","6.2056","0.0005","24.944","0.002","9.3402","0.0008","90","","96.47","0.001","90","","1436.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N2 O5 Re -","- C14 H9 N2 O5 Re -","- C56 H36 N8 O20 Re4 -","4","1","","Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.","Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.","Inorganic chemistry","2015","54","4","1528","1534","10.1021/ic502520x","","","0.71073","MoKα","","0.0179","0.0157","","","0.031","0.0316","","","","","","1.083","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342081","7.5221","0.0008","7.8492","0.0009","13.7338","0.0015","97.731","0.001","97.263","0.001","92.335","0.001","795.68","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H11 N2 O6.5 Re -","- C14.5 H11 N2 O6.5 Re -","- C29 H22 N4 O13 Re2 -","2","1","","Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.","Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.","Inorganic chemistry","2015","54","4","1528","1534","10.1021/ic502520x","","","0.71073","MoKα","","0.0177","0.0172","","","0.0443","0.0445","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342082","17.7074","0.0015","12.8422","0.0011","14.2119","0.0012","90","","106.46","0.001","90","","3099.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O6 Re -","- C15 H11 N2 O6 Re -","- C120 H88 N16 O48 Re8 -","8","2","","Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.","Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.","Inorganic chemistry","2015","54","4","1528","1534","10.1021/ic502520x","","","0.71073","MoKα","","0.0231","0.0181","","","0.0372","0.0387","","","","","","1.029","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342083","8.1472","0.0008","8.7294","0.0008","12.1803","0.0011","85.858","0.001","83.251","0.001","82.33","0.001","851.16","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N3 O6 Re -","- C15 H14 N3 O6 Re -","- C30 H28 N6 O12 Re2 -","2","1","","Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.","Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.","Inorganic chemistry","2015","54","4","1528","1534","10.1021/ic502520x","","","0.71073","MoKα","","0.0199","0.0192","","","0.0476","0.048","","","","","","1.047","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342084","17.9017","0.0018","12.7603","0.0013","16.6692","0.0016","90","","112.225","0.001","90","","3524.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N3 O5.5 Re -","- C16.5 H16 N3 O5.5 Re -","- C132 H128 N24 O44 Re8 -","8","1","","Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.","Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.","Inorganic chemistry","2015","54","4","1528","1534","10.1021/ic502520x","","","0.71073","MoKα","","0.0191","0.017","","","0.0391","0.0398","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342085","4.018","0.0014","4.018","0.0014","13.534","0.003","90","","90","","90","","218.5","0.12","296","2","296","2","","","","","","","","5","P 4/n m m","-P 4a 2a","129","","","","- Bi F0.5 O0.5 S2 Sm -","- Bi F0.5 O0.5 S2 Sm -","- Bi2 F O S4 Sm2 -","2","","","Thakur, Gohil Singh; Selvan, Ganesan Kalai; Haque, Zeba; Gupta, Laxmi Chand; Samal, Saroj Lochan; Arumugam, Sonachalam; Ganguli, Ashok Kumar","Synthesis and Properties of SmO0.5F0.5BiS2 and Enhancement in Tc in La1-ySmyO0.5F0.5BiS2.","Inorganic chemistry","2015","54","3","1076","1081","10.1021/ic5023938","","","0.71073","MoKα","","0.0662","0.053","","","0.1143","0.1203","","","","","","1.172","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342086","10.349","0.002","32.284","0.007","26.084","0.005","90","","90","0.03","90","","8715","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N3 O17 Zn4 -","- C40 H26 N3 O17 Zn4 -","- C160 H104 N12 O68 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.1575","0.1139","","","0.3098","0.3487","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342087","10.306","0.002","27.776","0.006","26.232","0.005","90","","91.84","0.03","90","","7505","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N O15 Zn4 -","- C36 H24 N O15 Zn4 -","- C144 H96 N4 O60 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0511","0.0455","","","0.1329","0.1384","","","","","","1.056","","","","has coordinates","179523","2020-10-21","18:00:00",""
"4342088","10.298","0.003","31.469","0.008","32.722","0.008","90","","106.72","0.008","90","","10156","5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N3 O17 Zn4 -","- C40 H27 N3 O17 Zn4 -","- C160 H108 N12 O68 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0549","0.0367","","","0.0875","0.0922","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342089","10.3371","0.0008","31.988","0.002","31.939","0.002","90","","91.937","0.001","90","","10555","1.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N3 O17 Zn4 -","- C41 H28 N3 O17 Zn4 -","- C164 H112 N12 O68 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0517","0.0393","","","0.0973","0.1014","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342090","27.474","0.005","27.701","0.005","10.377","0.002","90","","90","","90","","7897","3","223","2","223","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C39 H26 N O15 Zn4 -","- C39 H26 N O15 Zn4 -","- C156 H104 N4 O60 Zn16 -","4","0.5","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.1217","0.1105","","","0.3408","0.3578","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342091","10.297","0.0006","30.9262","0.0017","30.5635","0.0016","90","","91.468","0.001","90","","9729.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N3 O17 Zn4 -","- C38 H26 N3 O17 Zn4 -","- C152 H104 N12 O68 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.1113","0.0799","","","0.2059","0.2253","","","","","","1.777","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342092","10.292","0.002","36.424","0.007","34.381","0.007","90","","90.86","0.03","90","","12887","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H34 N O15 Zn4 -","- C51 H34 N O15 Zn4 -","- C204 H136 N4 O60 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.1248","0.0849","","","0.2226","0.239","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342093","10.364","0.002","26.746","0.005","27.804","0.006","90","","93.91","0.03","90","","7689","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H25 N O15 Zn4 -","- C38 H25 N O15 Zn4 -","- C152 H100 N4 O60 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0953","0.0693","","","0.1926","0.2049","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342094","10.316","0.002","26.096","0.005","27.889","0.006","90","","93.78","0.03","90","","7492","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 N O15 Zn4 -","- C34 H25 N O15 Zn4 -","- C136 H100 N4 O60 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0817","0.0624","","","0.1724","0.1902","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342095","10.327","0.002","26.237","0.005","27.756","0.006","90","","93.83","0.03","90","","7504","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N O15 Zn4 -","- C38 H24 N O15 Zn4 -","- C152 H96 N4 O60 Zn16 -","4","1","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0844","0.0737","","","0.2232","0.2405","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342096","34.989","0.007","34.989","0.007","10.274","0.002","90","","90","","90","","12578","4","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C51 H33 N O15 Zn4 -","- C51 H33 N2 O15 Zn4 -","- C204 H132 N8 O60 Zn16 -","4","0.25","","Duan, Jingui; Higuchi, Masakazu; Kitagawa, Susumu","Predesign and systematic synthesis of 11 highly porous coordination polymers with unprecedented topology.","Inorganic chemistry","2015","54","4","1645","1649","10.1021/ic502643m","","","0.71073","MoKα","","0.0929","0.0803","","","0.2366","0.2508","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342097","12.748","0.003","12.745","0.003","18.027","0.004","90","","90.06","0.03","90","","2928.9","1.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H41 Mo10 O76 P V2 -","- Mo9.9996 O76 P V2.0004 -","- Mo19.9992 O152 P2 V4.0008 -","2","0.5","","Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny","Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.","Inorganic chemistry","2015","54","2","628","634","10.1021/ic502541b","","","0.71073","MoKα","","0.0822","0.0678","","","0.1861","0.2053","","","","","","1.057","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342098","13.4794","0.0002","13.5005","0.0003","13.9131","0.0003","61.638","0.0011","61.052","0.0011","60.5232","0.0012","1833.15","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- H21 Mo10 O48 P V2 -","- Mo10.0366 O48 P V1.988 -","- Mo20.0732 O96 P2 V3.976 -","2","1","","Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny","Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.","Inorganic chemistry","2015","54","2","628","634","10.1021/ic502541b","","","0.71073","MoKα","","0.0864","0.0558","","","0.142","0.1623","","","","","","1.054","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342099","9.758","0.0004","9.7627","0.0006","9.8748","0.0005","88.062","0.003","88.477","0.004","89.832","0.004","939.84","0.08","313","2","313","2","","","","","","","","5","P -1","-P 1","2","","","","- H21 Mo10 O48 P V2 -","- Mo9.9996 O48 P V2.0004 -","- Mo9.9996 O48 P V2.0004 -","1","0.5","","Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny","Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.","Inorganic chemistry","2015","54","2","628","634","10.1021/ic502541b","","","0.71073","MoKα","","0.1196","0.0859","","","0.2417","0.2745","","","","","","1.133","","","","has coordinates,has disorder","179523","2020-10-21","18:00:00",""
"4342100","12.7501","0.0001","12.7512","0.0001","18.036","0.0002","90","","90.01","0.0006","90","","2932.28","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H41 Mo10 O76 P V2 -","- Mo10.0156 O76 P V1.9844 -","- Mo20.0312 O152 P2 V3.9688 -","2","0.5","","Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny","Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.","Inorganic chemistry","2015","54","2","628","634","10.1021/ic502541b","","","0.71073","MoKα","","0.092","0.0817","","","0.2312","0.2445","","","","","","1.12","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342101","13.4705","0.0002","13.962","0.0002","13.9967","0.0001","60.8204","0.0008","67.8345","0.0008","70.315","0.0007","2090.11","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- H33 Mo10 O54 P V2 -","- Mo10.0116 O54 P V1.9884 -","- Mo20.0232 O108 P2 V3.9768 -","2","1","","Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny","Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.","Inorganic chemistry","2015","54","2","628","634","10.1021/ic502541b","","","0.71073","MoKα","","0.092","0.0689","","","0.1817","0.2044","","","","","","1.125","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342102","25.42","0.03","5.759","0.008","12.008","0.016","90","","107.141","0.016","90","","1680","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H19 N3 O11 Te2 V2 -","- C6 H19 N3 O11 Te2 V2 -","- C24 H76 N12 O44 Te8 V8 -","4","0.5","","Nourmahnad, Anahita; Smith, Matthew D.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Role of noncovalent interactions in vanadium tellurite chain connectivities.","Inorganic chemistry","2015","54","2","694","703","10.1021/ic502753e","","","0.71073","MoKα","","0.0522","0.043","","0.1093","0.0987","0.0973","","","","","","1.0296","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342103","7.5506","0.0003","8.9255","0.0004","11.4699","0.0005","93.4986","0.0016","93.7112","0.0015","96.8662","0.0015","763.99","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H16 N2 O10 Te2 V2 -","- C5 H16 N2 O10 Te2 V2 -","- C10 H32 N4 O20 Te4 V4 -","2","1","","Nourmahnad, Anahita; Smith, Matthew D.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Role of noncovalent interactions in vanadium tellurite chain connectivities.","Inorganic chemistry","2015","54","2","694","703","10.1021/ic502753e","","","0.71073","MoKα","","0.0133","0.0128","","0.0382","0.0378","0.0375","","","","","","1.0138","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342104","18.1107","0.001","18.1107","0.001","18.1107","0.001","90","","90","","90","","5940.3","0.6","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 La4 O55 -","- B22 La4 O55 -","- B44 La8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0618","0.0615","","","0.177","0.1773","","","","","","1.187","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342105","18.0294","0.0009","18.0294","0.0009","18.0294","0.0009","90","","90","","90","","5860.6","0.5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Ce4 H32 O55 -","- B22 Ce4 O55 -","- B44 Ce8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.058","0.0572","","","0.1581","0.1587","","","","","","1.097","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342106","18.0098","0.0007","18.0098","0.0007","18.0098","0.0007","90","","90","","90","","5841.5","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Pr4 -","- B22 O55 Pr4 -","- B44 O110 Pr8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0694","0.0652","","","0.1763","0.1783","","","","","","1.066","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342107","18.0286","0.0008","18.0286","0.0008","18.0286","0.0008","90","","90","","90","","5859.8","0.5","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 Nd4 O55 -","- B22 Nd4 O55 -","- B44 Nd8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0575","0.0572","","","0.1599","0.1602","","","","","","1.088","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342108","17.9574","0.0007","17.9574","0.0007","17.9574","0.0007","90","","90","","90","","5790.7","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Sm4 -","- B22 O55 Sm4 -","- B44 O110 Sm8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0576","0.0567","","","0.1543","0.1549","","","","","","1.105","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342109","17.8869","0.0008","17.8869","0.0008","17.8869","0.0008","90","","90","","90","","5722.8","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Eu4 H32 O55 -","- B22 Eu4 O55 -","- B44 Eu8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0646","0.0631","","","0.1755","0.1766","","","","","","1.065","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342110","17.8931","0.0008","17.8931","0.0008","17.8931","0.0008","90","","90","","90","","5728.7","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Gd4 H32 O55 -","- B22 Gd4 O55 -","- B44 Gd8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.0618","0.0604","","","0.1676","0.1689","","","","","","1.057","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342111","17.8515","0.0012","17.8515","0.0012","17.8515","0.0012","90","","90","","90","","5688.8","0.7","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 H32 O55 Pu4 -","- B10 O36 Pu4 -","- B20 O72 Pu8 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.1305","0.1011","","","0.2551","0.2742","","","","","","0.997","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342112","18.1158","0.0007","18.1158","0.0007","18.1158","0.0007","90","","90","","90","","5945.3","0.4","100","2","100","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- B22 Bi4 H32 O55 -","- B22 Bi4 O55 -","- B44 Bi8 O110 -","2","0.0833333","","Parker, T. Gannon; Chown, Amanda L.; Beehler, Austin; Pubbi, Divya; Cross, Justin N.; Albrecht-Schmitt, Thomas E","Ionothermal Synthesis of Tetranuclear Borate Clusters Containing f- and p-Block Metals.","Inorganic chemistry","2015","54","2","570","575","10.1021/ic502461d","","","0.71073","MoKα","","0.1017","0.0938","","","0.2463","0.2533","","","","","","1.041","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342113","18.4345","0.0008","3.7854","0.0001","22.0008","0.0008","90","","108.418","0.004","90","","1456.62","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(indazol-1-yl)pyridine","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0798","0.0583","","","0.1451","0.1649","","","","","","1.059","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342114","15.0354","0.0003","6.0544","0.0002","16.2957","0.0003","90","","99.357","0.002","90","","1463.67","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Indazol-1-yl)-6-(indazol-2-yl)pyridine","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.043","0.0412","","","0.1097","0.1117","","","","","","1.065","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342115","6.9133","0.0004","11.8194","0.0006","19.3165","0.0011","104.009","0.005","96.68","0.004","105.467","0.005","1448.09","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,6-Bis(indazol-2-yl)pyridine","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","2","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0775","0.0525","","","0.1267","0.1443","","","","","","1.028","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342116","13.6059","0.0005","6.8902","0.0003","13.3162","0.0005","90","","104.128","0.004","90","","1210.6","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Indazol-2-yl)-6-(pyrazol-1-yl)pyridine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0561","0.0492","","","0.1332","0.141","","","","","","1.065","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342117","6.7286","0.0004","7.0923","0.0005","11.2194","0.0007","78.888","0.005","82.261","0.005","64.157","0.007","472.05","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Fluoro-6-(indazol-2-yl)pyridine - form 1","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C24 H16 F2 N6 -","2","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0455","0.0438","","","0.1176","0.12","","","","","","1.08","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342118","31.6009","0.0006","5.6407","0.0001","11.5087","0.0002","90","","110.969","0.002","90","","1915.58","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Fluoro-6-(indazol-2-yl)pyridine - form 2","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C96 H64 F8 N24 -","8","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0363","0.035","","","0.0905","0.0919","","","","","","1.066","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342119","5.6983","0.0002","11.4598","0.0005","14.746","0.0006","90","","90","","90","","962.93","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(indazol-2-yl)pyridine - form 3","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0433","0.0401","","","0.1015","0.1053","","","","","","1.074","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342120","14.0107","0.0005","20.1972","0.0006","14.1012","0.0004","90","","90.854","0.003","90","","3989.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis-[2,6-di(indazol-2-yl)pyridine]iron(II) ditetrafluoroborate nitromethane solvate","","- C40 H32 B2 F8 Fe N12 O4 -","- C40 H32 B2 F8 Fe N12 O4 -","- C160 H128 B8 F32 Fe4 N48 O16 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","0.71073","MoKα","","0.0946","0.0556","","","0.1147","0.1314","","","","","","1.012","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342121","14.1074","0.0005","20.3712","0.0007","14.1541","0.0004","90","","90.784","0.003","90","","4067.3","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis-[2,6-di(indazol-2-yl)pyridine]iron(II) ditetrafluoroborate dinitromethane solvate","","- C40 H32 B2 F8 Fe N12 O4 -","- C40 H32 B2 F8 Fe N12 O4 -","- C160 H128 B8 F32 Fe4 N48 O16 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","0.71073","MoKα","","0.0878","0.0697","","","0.1623","0.1757","","","","","","1.028","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342122","26.721","0.005","25.458","0.005","18.792","0.004","90","","110.66","0.03","90","","11961","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2,6-di(indazol-2-yl)pyridine]iron(II) ditetrafluoroborate chloroform (1/0.8) solvate","","- C39 H27 B2 Cl3 F8 Fe N10 -","- C38 H26 B2 F8 Fe N10 -","- C456 H312 B24 F96 Fe12 N120 -","12","1.5","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","0.71073","MoKα","","0.1193","0.0898","","","0.2507","0.2737","","","","","","1.041","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342123","12.7312","0.0007","13.2422","0.0008","13.5769","0.0007","87.61","0.005","66.525","0.005","78.669","0.005","2056.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-di(indazol-2-yl)pyridine]iron(II) diperchlorate chloroform solvate","","- C39 H27 Cl5 Fe N10 O8 -","- C39 H27 Cl5 Fe N10 O8 -","- C78 H54 Cl10 Fe2 N20 O16 -","2","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.116","0.0793","","","0.2151","0.2529","","","","","","1.043","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342124","12.765","0.0005","13.0619","0.0005","14.2126","0.0006","88.085","0.003","65.731","0.004","81.623","0.003","2136.35","0.16","340","2","340","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-di(indazol-2-yl)pyridine]iron(II) diperchlorate chloroform solvate","","- C39 H27 Cl5 Fe N10 O8 -","- C38.5 H26.5 Cl3.5 Fe N10 O8 -","- C77 H53 Cl7 Fe2 N20 O16 -","2","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.1197","0.0848","","","0.2506","0.2856","","","","","","1.018","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342125","15.024","0.0002","12.6714","0.0002","17.1017","0.0003","90","","91.552","0.001","90","","3254.54","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2-(indazol-1-yl)-6-(pyrazol-1-y1l)pyridine]iron(II) ditetrafluoroborate nitromethane solvate","","- C31 H25 B2 F8 Fe N11 O2 -","- C31 H25 B2 F8 Fe N11 O2 -","- C124 H100 B8 F32 Fe4 N44 O8 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0671","0.0519","","","0.1323","0.1438","","","","","","1.024","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342126","15.1486","0.0002","12.7908","0.0002","17.09","0.0002","90","","92.292","0.001","90","","3308.76","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(indazol-1-yl)-6-(pyrazol-1-yl)pyridine]iron(II) diperchlorate nitromethane solvate","","- C31 H25 Cl2 Fe N11 O10 -","- C31 H25 Cl2 Fe N11 O10 -","- C124 H100 Cl8 Fe4 N44 O40 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0439","0.0409","","","0.1057","0.1086","","","","","","1.038","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342127","13.67681","0.00015","7.86858","0.00009","4.85157","0.00003","90","","89.843","0.0009","90","","522.11","0.009","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Al3.774 Gd3 N1.226 O12.774 Si2.226 -","- Al3.774 Gd3 N1.226 O12.774 Si2.226 -","- Al7.548 Gd6 N2.452 O25.548 Si4.452 -","2","0.5","","Park, Woon Bae; Singh, Satendra Pal; Kim, Minseuk; Sohn, Kee-Sun","Combinatorial Screening of Luminescent and Structural Properties in a Ce(3+)-Doped Ln-Al-Si-O-N (Ln = Y, La, Gd, Lu) System: The Discovery of a Novel Gd3Al3+xSi3-xO12+xN2-x:Ce(3+) Phosphor.","Inorganic chemistry","2015","54","4","1829","1840","10.1021/ic502721h","powder diffraction","","1.4647","Synchrotron","","","","","","","","","3.4335","1.3077","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342128","6.4738","0.0009","6.5054","0.0008","14.2949","0.0018","90.656","0.003","98.936","0.003","95.498","0.003","591.77","0.13","233","2","233","2","","","","","","","","4","P -1","-P 1","2","Losey12","","","- Cl4 D12 O6 Zn2 -","- Cl4 D12 O6 Zn2 -","- Cl8 D24 O12 Zn4 -","2","1","","Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger","Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.","Inorganic chemistry","2015","54","3","1109","1119","10.1021/ic5024532","powder diffraction","","0.71073","MoKα","","0.0292","0.0223","","","0.0536","0.0559","","","7.37","","","1.034","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342129","6.4421","0.0015","6.5034","0.0015","14.281","0.003","90.626","0.003","99.082","0.003","95.49","0.003","587.9","0.2","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl4 H12 O6 Zn2 -","- Cl4 H12 O6 Zn2 -","- Cl8 H24 O12 Zn4 -","2","1","","Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger","Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.","Inorganic chemistry","2015","54","3","1109","1119","10.1021/ic5024532","powder diffraction","","0.71073","MoKα","","0.0553","0.0464","","","0.1283","0.1342","","","7.37","","","1.11","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342130","6.413","0.003","6.506","0.003","14.211","0.006","90.946","0.007","99.278","0.007","95.741","0.007","581.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl4 H12 O6 Zn2 -","- Cl4 H12 O6 Zn2 -","- Cl8 H24 O12 Zn4 -","2","1","","Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger","Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.","Inorganic chemistry","2015","54","3","1109","1119","10.1021/ic5024532","powder diffraction","","0.71073","MoKα","","0.1322","0.0852","","","0.1902","0.2075","","","7.37","","","1.064","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342131","6.477","0.003","6.511","0.003","14.291","0.007","90.466","0.008","98.9","0.008","95.575","0.008","592.4","0.5","254","2","254","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl4 H12 O6 Zn2 -","- Cl4 H12 O6 Zn2 -","- Cl8 H24 O12 Zn4 -","2","1","","Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger","Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.","Inorganic chemistry","2015","54","3","1109","1119","10.1021/ic5024532","powder diffraction","","0.71073","MoKα","","0.134","0.079","","","0.1839","0.205","","","7.37","","","1.071","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342132","6.4753","0.0022","6.5117","0.002","14.297","0.005","90.568","0.029","99.035","0.032","95.579","0.029","592.3","0.3","233","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cl2 D6.87 O3.12 Zn -","- Cl2 D6.87454 O3.11762 Zn -","- Cl8 D27.4982 O12.4705 Zn4 -","4","2","","Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger","Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.","Inorganic chemistry","2015","54","3","1109","1119","10.1021/ic5024532","powder diffraction","","","","","","","","","","","","","7.37","","","","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342133","12.0377","0.0011","14.0264","0.0013","16.2856","0.0016","91.125","0.005","90.825","0.005","113.89","0.004","2512.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H27 F6 N3 O2 P Ru0.5 -","- C23 H27 F6 N3 O2 P Ru0.5 -","- C92 H108 F24 N12 O8 P4 Ru2 -","4","2","","Sharma, Rajgopal; Knoll, Jessica D.; Ancona, Nicholas; Martin, Phillip D.; Turro, Claudia; Kodanko, Jeremy J.","Solid-phase synthesis as a platform for the discovery of new ruthenium complexes for efficient release of photocaged ligands with visible light.","Inorganic chemistry","2015","54","4","1901","1911","10.1021/ic502791y","","","0.71073","MoKα","","0.051","0.0385","","","0.0999","0.1054","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342134","8.819","0.003","13.035","0.005","17.45","0.007","72.241","0.013","83.765","0.015","77.201","0.015","1861.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 F13 N6 O3 P2 Ru -","- C31 H36 F12 N6 O2 P2 Ru -","- C62 H72 F24 N12 O4 P4 Ru2 -","2","1","","Sharma, Rajgopal; Knoll, Jessica D.; Ancona, Nicholas; Martin, Phillip D.; Turro, Claudia; Kodanko, Jeremy J.","Solid-phase synthesis as a platform for the discovery of new ruthenium complexes for efficient release of photocaged ligands with visible light.","Inorganic chemistry","2015","54","4","1901","1911","10.1021/ic502791y","","","0.71073","MoKα","","0.1801","0.1116","","","0.2732","0.3116","","","","","","1.071","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342135","3.75","0.0008","12.11","0.002","9.18","0.0018","90","","90","","90","","416.89","0.14","100","2","100","2","","","","","","","","3","C m c m","-C 2c 2","63","ScUS3","","","- S3 Sc U -","- S3 Sc U -","- S12 Sc4 U4 -","4","0.25","","Prakash, Jai; Mesbah, Adel; Ward, Matthew D.; Lebègue, Sébastien; Malliakas, Christos D.; Lee, Minseong; Choi, Eun Sang; Ibers, James A.","Synthesis, Crystal Structure, Resistivity, Magnetic, and Theoretical Study of ScUS3.","Inorganic chemistry","2015","54","4","1684","1689","10.1021/ic502656u","","","0.71073","MoKα","","0.0343","0.0251","","","0.0537","0.0571","","","","","","1.131","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342136","10.4748","0.0006","13.4264","0.0007","16.2322","0.0007","90","","127.345","0.002","90","","1814.88","0.17","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","Hg (O Te F5)4,(N CH2 CH3)4,(N CH2 CH3)4","","","- C16 H40 F20 Hg N2 O4 Te4 -","- C16 H40 F20 Hg N2 O4 Te4 -","- C32 H80 F40 Hg2 N4 O8 Te8 -","2","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.033","0.0285","","","0.062","0.0632","","","","","","0.911","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342137","16.2076","0.0019","14.4552","0.0011","16.2482","0.0012","90","","90.172","0.003","90","","3806.7","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","Hg (O Te F5)5,(N CH3)4,(N CH3)4,(N CH3)4","","","- C12 H36 F25 Hg N3 O5 Te5 -","- C12 H36 F25 Hg N3 O5 Te5 -","- C48 H144 F100 Hg4 N12 O20 Te20 -","4","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0204","0.0196","","","0.0421","0.0424","","","","","","0.99","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342138","19.7463","0.0003","11.4754","0.0002","18.0628","0.0003","90","","109.147","0.001","90","","3866.55","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Hg2 (O Te F5)6,(N CH3)4,(N CH3)4","","","- C4 H12 F15 Hg N O3 Te3 -","- C4 H12 F15 Hg N O3 Te3 -","- C32 H96 F120 Hg8 N8 O24 Te24 -","8","2","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0287","0.0216","","","0.0415","0.0437","","","","","","1.026","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342139","22.6115","0.0003","10.934","0.0002","15.2294","0.0004","90","","125.797","0.001","90","","3053.96","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cs2, Hg (O Te F5)4,Hg (O Te F5)2","","","- Cs F15 Hg O3 Te3 -","- Cs F15 Hg O3 Te3 -","- Cs8 F120 Hg8 O24 Te24 -","8","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0257","0.0209","","","0.0409","0.0422","","","","","","1.088","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342140","20.5","0.0004","13.8017","0.0003","22.1592","0.0004","90","","107.729","0.001","90","","5971.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cs3, Hg2 (O Te F5)7,Hg (O Te F5)2, (S O2 Cl F)4","","","- Cl4 Cs3 F49 Hg3 O17 S4 Te9 -","- Cl4 Cs3 F49 Hg3 O17 S4 Te9 -","- Cl16 Cs12 F196 Hg12 O68 S16 Te36 -","4","1","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0592","0.0514","","","0.1122","0.1134","","","","","","1.934","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342141","14.5473","0.0002","17.9914","0.0002","18.7584","0.0002","90","","95.265","0.001","90","","4888.85","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Hg (O Te F5)5,(N CH2 CH3)4,(N CH2 CH3)4,(N CH2 CH3)","","","- C24 H60 F25 Hg N3 O5 Te5 -","- C24 H60 F25 Hg N3 O5 Te5 -","- C96 H240 F100 Hg4 N12 O20 Te20 -","4","2","","DeBackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Pentafluoro-oxotellurate(VI) Anions of Mercury(II); Syntheses and Structures of [Hg(OTeF5)4](2-), [Hg(OTeF5)5](3-), [Hg2(OTeF5)6](2-), [Hg(OTeF5)4](2-)·Hg(OTeF5)2, and [Hg2(OTeF5)7](3-)·Hg(OTeF5)2.","Inorganic chemistry","2015","54","4","1606","1626","10.1021/ic502602p","","","0.71073","MoKα","","0.0429","0.0282","","","0.0465","0.0489","","","","","","0.98","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342142","19.2352","0.0004","19.2352","0.0004","33.3633","0.0009","90","","90","","120","","10690.4","0.4","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C21 H21 Ga2 N3 -","- C21 H21 Ga2 N3 -","- C378 H378 Ga36 N54 -","18","","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.71073","MoKα","","0.0717","0.039","","","0.0893","0.0963","","","","","","0.992","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342143","14.1348","0.0005","14.158","0.0004","16.4427","0.0005","93.33","0.002","113.944","0.003","101.566","0.003","2910.33","0.18","149","2","149","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 Ga4 N8 -","- C64 H64 Ga4 N8 -","- C128 H128 Ga8 N16 -","2","1","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.71073","MoKα","","0.047","0.0314","","","0.0716","0.0788","","","","","","1.047","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342144","29.0426","0.0012","10.3599","0.0004","31.2885","0.0017","90","","98.561","0.004","90","","9309.1","0.7","120.1","0.2","120.1","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C94 H116 Ga4 N8 -","- C94 H116 Ga4 N8 -","- C376 H464 Ga16 N32 -","4","0.5","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0623","0.0412","","","0.0972","0.1049","","","","","","1.048","","","","has coordinates","211178","2020-10-21","18:00:00",""
"4342145","13.0751","0.0006","13.6722","0.0006","14.7834","0.0006","71.83","0.004","65.638","0.004","62.669","0.005","2114.07","0.19","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H104 Ga8 N16 -","- C81 H104 Ga8 N16 -","- C81 H104 Ga8 N16 -","1","0.5","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.71073","MoKα","","0.0924","0.0514","","","0.1093","0.1292","","","","","","1.016","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342146","11.8841","0.0007","13.1349","0.0011","19.4386","0.0016","97.568","0.007","101.971","0.006","111.337","0.007","2692.4","0.4","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C59 H74 Ga2 N6 -","- C59 H74 Ga2 N6 -","- C118 H148 Ga4 N12 -","2","1","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.71073","MoKα","","0.1257","0.0714","","","0.1564","0.1923","","","","","","1.018","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342147","23.0044","0.0006","11.38343","0.00019","23.2147","0.0008","90","","117.671","0.004","90","","5383.9","0.3","149.8","0.8","149.8","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H64 Ga4 N8 -","- C48 H64 Ga4 N8 -","- C192 H256 Ga16 N32 -","4","0.5","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0461","0.0314","","","0.0682","0.0747","","","","","","1.085","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342148","13.58929","0.00015","18.9059","0.0002","20.0649","0.0002","90","","90","","90","","5155.03","0.09","151","","151","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 Ga2 N6 -","- C50 H82 Ga2 N6 -","- C200 H328 Ga8 N24 -","4","1","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0434","0.0336","","","0.0757","0.0816","","","","","","1.047","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342149","10.6745","0.0007","9.7298","0.0005","13.8119","0.0007","90","","92.884","0.006","90","","1432.7","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Ga2 N4 -","- C26 H42 Ga2 N4 -","- C52 H84 Ga4 N8 -","2","0.5","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.062","0.0519","","","0.1345","0.1385","","","","","","1.337","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342150","10.7317","0.0003","14.9692","0.0004","19.2449","0.0005","94.308","0.002","96.002","0.002","100.953","0.002","3004.32","0.14","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H86 Ga4 N6 O -","- C63 H86 Ga4 N6 O -","- C126 H172 Ga8 N12 O2 -","2","1","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0494","0.0311","","","0.065","0.0705","","","","","","1.002","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342151","8.7001","0.0007","16.5868","0.0013","14.4047","0.0011","90","","92.885","0.0013","90","","2076.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H24 B Fe O2 P -","- C24 H24 B Fe O2 P -","- C96 H96 B4 Fe4 O8 P4 -","4","1","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0263","0.0249","","","0.0608","0.0612","","","","","","1.025","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342152","14.8935","0.0014","12.4167","0.0011","25.542","0.002","90","","90","","90","","4723.4","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H60.22 B2 Fe2 Li2 O2 P2 -","- C52 H60.224 B2 Fe2 Li2 O2 P2 -","- C208 H240.896 B8 Fe8 Li8 O8 P8 -","4","0.5","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.1093","0.0779","","","0.193","0.2127","","","","","","1.054","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342153","11.0448","0.001","20.4296","0.0019","15.769","0.0015","90","","100.691","0.0011","90","","3496.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 B Cl Fe N4 Ni P -","- C39 H41 B Cl Fe N4 Ni P -","- C156 H164 B4 Cl4 Fe4 N16 Ni4 P4 -","4","1","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0302","0.0257","","","0.0655","0.0674","","","","","","1.062","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342154","24.5034","0.0014","17.7143","0.001","16.2571","0.0009","90","","90","","90","","7056.6","0.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C73 H80 B2 Fe2 N8 Ni2 P2 -","- C73 H80 B2 Fe2 N8 Ni2 P2 -","- C292 H320 B8 Fe8 N32 Ni8 P8 -","4","0.5","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0292","0.0255","","","0.0633","0.0653","","","","","","1.077","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342155","11.0492","0.0008","20.5575","0.0014","15.6885","0.0011","90","","99.946","0.0011","90","","3510","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 B Cl Fe N4 P Zn -","- C39 H41 B Cl Fe N4 P Zn -","- C156 H164 B4 Cl4 Fe4 N16 P4 Zn4 -","4","1","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0263","0.0234","","","0.0609","0.062","","","","","","1.053","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342156","10.1105","0.0008","12.1986","0.0009","13.4477","0.001","85.394","0.0012","84.221","0.0012","67.746","0.0011","1525.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 B Fe N4 P Zn -","- C33 H36 B Fe N4 P Zn -","- C66 H72 B2 Fe2 N8 P2 Zn2 -","2","1","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.0245","0.0226","","","0.0603","0.0614","","","","","","1.066","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342157","14.331","0.0002","8.2853","0.0001","18.4066","0.0004","90","","90.173","0.002","90","","2185.53","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 O5 Zn -","- C22 H24 N4 O5 Zn -","- C88 H96 N16 O20 Zn4 -","4","1","","Yu, Fei; Li, Dan-Dan; Cheng, Lin; Yin, Zheng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Porous supramolecular networks constructed of one-dimensional metal-organic chains: carbon dioxide and iodine capture.","Inorganic chemistry","2015","54","4","1655","1660","10.1021/ic502650z","","","0.71073","MoKα","","0.0447","0.0367","","","0.0869","0.0916","","","","","","1.045","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342158","14.2994","0.0003","8.0692","0.0002","18.2695","0.0005","90","","90.551","0.002","90","","2107.92","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Yu, Fei; Li, Dan-Dan; Cheng, Lin; Yin, Zheng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Porous supramolecular networks constructed of one-dimensional metal-organic chains: carbon dioxide and iodine capture.","Inorganic chemistry","2015","54","4","1655","1660","10.1021/ic502650z","","","0.71073","MoKα","","0.0557","0.0463","","","0.1288","0.1359","","","","","","1.09","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342159","14.0279","0.0003","8.1674","0.0003","18.7317","0.0005","90","","94.3","0.002","90","","2140.08","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Co N4 O5 -","- C20 H20 Co N4 O5 -","- C80 H80 Co4 N16 O20 -","4","1","","Yu, Fei; Li, Dan-Dan; Cheng, Lin; Yin, Zheng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Porous supramolecular networks constructed of one-dimensional metal-organic chains: carbon dioxide and iodine capture.","Inorganic chemistry","2015","54","4","1655","1660","10.1021/ic502650z","","","0.71073","MoKα","","0.0598","0.0504","","","0.1503","0.159","","","","","","1.043","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342160","14.0754","0.0005","8.132","0.0004","18.7324","0.0008","90","","93.462","0.004","90","","2140.22","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Co N4 O4 -","- C20 H18 Co N4 O4 -","- C80 H72 Co4 N16 O16 -","4","1","","Yu, Fei; Li, Dan-Dan; Cheng, Lin; Yin, Zheng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Porous supramolecular networks constructed of one-dimensional metal-organic chains: carbon dioxide and iodine capture.","Inorganic chemistry","2015","54","4","1655","1660","10.1021/ic502650z","","","0.71073","MoKα","","0.082","0.058","","","0.125","0.138","","","","","","1.002","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342161","12.7802","0.0008","12.7915","0.001","15.7153","0.0013","71.671","0.002","82.983","0.002","68.112","0.002","2262.9","0.3","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H26 Br2 Fe N4 Ni O3 S10 -","- C41 H26 Br2 Fe N4 Ni O3 S10 -","- C82 H52 Br4 Fe2 N8 Ni2 O6 S20 -","2","1","","Vieira, Bruno J. C.; Dias, João C; Santos, Isabel C.; Pereira, Laura C. J.; da Gama, Vasco; Waerenborgh, João C","Thermal Hysteresis in a Spin-Crossover Fe(III) Quinolylsalicylaldimine Complex, Fe(III)(5-Br-qsal)2Ni(dmit)2·solv: Solvent Effects.","Inorganic chemistry","2015","54","4","1354","1362","10.1021/ic502278d","","","0.71069","MoKα","","0.1088","0.049","","","0.0865","0.0999","","","","","","0.909","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342162","23.4144","0.0011","12.8049","0.0006","30.6897","0.0015","90","","109.015","0.002","90","","8699.3","0.7","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 Br2 Cl2 Fe N4 Ni O2 S10 -","- C39 H22 Br2 Cl2 Fe N4 Ni O2 S10 -","- C312 H176 Br16 Cl16 Fe8 N32 Ni8 O16 S80 -","8","1","","Vieira, Bruno J. C.; Dias, João C; Santos, Isabel C.; Pereira, Laura C. J.; da Gama, Vasco; Waerenborgh, João C","Thermal Hysteresis in a Spin-Crossover Fe(III) Quinolylsalicylaldimine Complex, Fe(III)(5-Br-qsal)2Ni(dmit)2·solv: Solvent Effects.","Inorganic chemistry","2015","54","4","1354","1362","10.1021/ic502278d","","","0.71073","MoKα","","0.1084","0.0589","","","0.1361","0.1495","","","","","","1.049","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342163","23.5829","0.0006","13.1228","0.0004","30.5846","0.0009","90","","109.463","0.001","90","","8924.3","0.4","294","2","294","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 Br2 Cl2 Fe N4 Ni O2 S10 -","- C39 H22 Br2 Cl2 Fe N4 Ni O2 S10 -","- C312 H176 Br16 Cl16 Fe8 N32 Ni8 O16 S80 -","8","1","","Vieira, Bruno J. C.; Dias, João C; Santos, Isabel C.; Pereira, Laura C. J.; da Gama, Vasco; Waerenborgh, João C","Thermal Hysteresis in a Spin-Crossover Fe(III) Quinolylsalicylaldimine Complex, Fe(III)(5-Br-qsal)2Ni(dmit)2·solv: Solvent Effects.","Inorganic chemistry","2015","54","4","1354","1362","10.1021/ic502278d","","","0.71073","MoKα","","0.1151","0.0717","","","0.1826","0.1983","","","","","","1.053","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342164","12.4127","0.0005","12.5137","0.0004","16.102","0.0007","74.36","0.002","80.842","0.002","68.142","0.003","2230.51","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H26 Br2 Fe N4 Ni O3 S10 -","- C41 H26 Br2 Fe N4 Ni O3 S10 -","- C82 H52 Br4 Fe2 N8 Ni2 O6 S20 -","2","1","","Vieira, Bruno J. C.; Dias, João C; Santos, Isabel C.; Pereira, Laura C. J.; da Gama, Vasco; Waerenborgh, João C","Thermal Hysteresis in a Spin-Crossover Fe(III) Quinolylsalicylaldimine Complex, Fe(III)(5-Br-qsal)2Ni(dmit)2·solv: Solvent Effects.","Inorganic chemistry","2015","54","4","1354","1362","10.1021/ic502278d","","","0.71073","MoKα","","0.0875","0.0456","","","0.1003","0.112","","","","","","0.92","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342165","8.973","0.004","14.21","0.007","14.926","0.007","117.856","0.008","95.342","0.01","92.016","0.009","1668.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N9 O6 -","- C27 H35 N9 O6 -","- C54 H70 N18 O12 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.1655","0.0945","","","0.294","0.3466","","","","","","1.054","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342166","12.823","0.0015","12.9297","0.0015","13.6859","0.0016","106.508","0.002","110.376","0.002","91.085","0.002","2021.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 La1.5 N13.5 O19 -","- C27 H27 La1.5 N13.5 O19 -","- C54 H54 La3 N27 O38 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0993","0.0569","","","0.1443","0.1751","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342167","12.809","0.005","12.9","0.005","13.678","0.005","106.526","0.005","110.461","0.006","91.104","0.006","2012.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 Ce1.5 N13.5 O19 -","- C27 H27 Ce1.5 N13.5 O19 -","- C54 H54 Ce3 N27 O38 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0407","0.0345","","","0.095","0.1017","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342168","19.508","0.0019","16.7657","0.0017","21.153","0.002","90","","93.247","0.002","90","","6907.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 N12 O13 Pr -","- C27 H27 N12 O13 Pr -","- C216 H216 N96 O104 Pr8 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.056","0.04","","","0.1052","0.1196","","","","","","1.053","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342169","19.478","0.002","16.838","0.002","21.111","0.003","90","","92.812","0.002","90","","6915.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 N12 Nd O13 -","- C27 H33 N12 Nd O13 -","- C216 H264 N96 Nd8 O104 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0386","0.0304","","","0.0788","0.0853","","","","","","1.062","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342170","19.4481","0.0013","16.8664","0.0011","21.0896","0.0014","90","","92.606","0.001","90","","6910.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 N12 O13 Sm -","- C27 H33 N12 O13 Sm -","- C216 H264 N96 O104 Sm8 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0408","0.03","","","0.0753","0.0841","","","","","","1.081","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342171","19.478","0.002","16.6398","0.0018","21.093","0.002","90","","93.15","0.002","90","","6826.1","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Br0.13 Eu N11.88 O12.63 -","- C27 H27 Br0.133 Eu N11.867 O12.601 -","- C216 H216 Br1.064 Eu8 N94.936 O100.808 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0567","0.0449","","","0.114","0.1256","","","","","","1.054","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342172","19.459","0.003","16.473","0.002","21.086","0.003","90","","93.463","0.002","90","","6746.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Br0.25 Gd N11.75 O12.25 -","- C27 H27 Br0.266 Gd N11.734 O12.202 -","- C216 H216 Br2.128 Gd8 N93.872 O97.616 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.1102","0.0553","","","0.1229","0.1605","","","","","","1.04","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342173","19.445","0.005","16.539","0.005","21.094","0.006","90","","93.255","0.004","90","","6773","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Br0.25 N11.75 O12.25 Tb -","- C27 H27 Br0.207 N11.793 O12.379 Tb -","- C216 H216 Br1.656 N94.344 O99.032 Tb8 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.1547","0.0598","","","0.1429","0.1961","","","","","","1.003","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342174","10.7196","0.0019","11.246","0.002","15.646","0.003","90","","105.894","0.003","90","","1814.1","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 Dy N12 O15 -","- C27 H27 Dy N12 O15 -","- C54 H54 Dy2 N24 O30 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0294","0.0275","","","0.0717","0.0736","","","","","","1.062","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342175","19.391","0.003","16.432","0.002","21.159","0.003","90","","93.467","0.003","90","","6729.6","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Br0.13 Ho N11.88 O12.63 -","- C27 H27 Br0.205 Ho N11.795 O12.385 -","- C216 H216 Br1.64 Ho8 N94.36 O99.08 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.087","0.0464","","","0.1063","0.1353","","","","","","1.067","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342176","19.423","0.002","16.466","0.002","21.141","0.003","90","","93.385","0.002","90","","6749.5","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Br0.25 Er N11.75 O12.25 -","- C27 H27 Br0.277 Er N11.723 O12.169 -","- C216 H216 Br2.216 Er8 N93.784 O97.352 -","8","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.1084","0.0498","","","0.1112","0.1455","","","","","","1.049","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342177","10.657","0.001","11.1946","0.001","15.6855","0.0015","90","","105.717","0.001","90","","1801.3","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 N12 O15 Tm -","- C27 H33 N12 O15 Tm -","- C54 H66 N24 O30 Tm2 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0327","0.0317","","","0.0851","0.0858","","","","","","1.409","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342178","10.6586","0.0011","11.1919","0.0012","15.6731","0.0017","90","","105.733","0.002","90","","1799.6","0.3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H39 N12 O15 Yb -","- C27 H27 N12 O15 Yb -","- C54 H54 N24 O30 Yb2 -","2","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0248","0.0234","","","0.0593","0.0606","","","","","","1.059","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342179","13.7102","0.0011","22.5431","0.0018","15.437","0.0013","90","","109.505","0.001","90","","4497.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 F9 La N9 O14 S3 -","- C30 H27 F9 La N9 O14 S3 -","- C120 H108 F36 La4 N36 O56 S12 -","4","1","","Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura","Lanthanide(III) Complexation with an Amide Derived Pyridinophane.","Inorganic chemistry","2015","54","4","1671","1683","10.1021/ic502653r","","","0.71073","MoKα","","0.0525","0.0364","","","0.0929","0.1074","","","","","","1.059","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342180","7.772","0.0016","18.629","0.004","19.518","0.005","90","","104.23","0.03","90","","2739.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Co2 N O15 -","- C24 H29 Co2 N O15 -","- C96 H116 Co8 N4 O60 -","4","1","","Ding, Ran; Huang, Chao; Lu, Jingjing; Wang, Junning; Song, Chuanjun; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent templates induced porous metal-organic materials: conformational isomerism and catalytic activity.","Inorganic chemistry","2015","54","4","1405","1413","10.1021/ic502369y","","","0.71073","MoKα","","0.0816","0.072","","","0.1932","0.2003","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342181","10.57","0.002","10.659","0.002","13.81","0.003","104.32","0.03","103.67","0.03","109.51","0.03","1331.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Co2 N O13 -","- C23 H19 Co2 N O13 -","- C46 H38 Co4 N2 O26 -","2","1","","Ding, Ran; Huang, Chao; Lu, Jingjing; Wang, Junning; Song, Chuanjun; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent templates induced porous metal-organic materials: conformational isomerism and catalytic activity.","Inorganic chemistry","2015","54","4","1405","1413","10.1021/ic502369y","","","0.71073","MoKα","","0.0722","0.0563","","","0.1505","0.1642","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342182","23.362","0.005","22.491","0.005","22.738","0.005","90","","90","","90","","11947","5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H50 Co5 O30 -","- C42 H40 Co5 O30 -","- C336 H320 Co40 O240 -","8","0.5","","Ding, Ran; Huang, Chao; Lu, Jingjing; Wang, Junning; Song, Chuanjun; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Solvent templates induced porous metal-organic materials: conformational isomerism and catalytic activity.","Inorganic chemistry","2015","54","4","1405","1413","10.1021/ic502369y","","","0.71073","MoKα","","0.1327","0.0869","","","0.216","0.2477","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342183","15.6716","0.0011","10.4009","0.0007","15.5875","0.001","90","","115.172","0.001","90","","2299.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Di-tert-butyl-2,4-bis(phenylethynyl)-[1,3,2,4] diazadiphosphetidine","","- C24 H28 N2 P2 -","- C24 H28 N2 P2 -","- C96 H112 N8 P8 -","4","1","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Construction of the First Rhodium(I) Cyclic Pentameric Structure [Rh(CO)Cl{(μ-N(t)BuP)2(C≡CPh)2}]5 Using (Phenylethynyl)cyclodiphosphazanes.","Inorganic chemistry","2015","54","4","1200","1202","10.1021/ic5028042","","","0.71073","MoKα","","0.0444","0.0362","","","0.0944","0.1019","","","","","","1.034","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342184","6.2529","0.0005","9.1433","0.0007","19.025","0.0014","90","","92.239","0.001","90","","1086.87","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-1,3-Di<i>tert</i>-butyl-2,4-bis(phenylethynyl) -[1,3,2,4]diazadiphosphetidine","","- C24 H28 N2 P2 -","- C24 H28 N2 P2 -","- C48 H56 N4 P4 -","2","0.5","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Construction of the First Rhodium(I) Cyclic Pentameric Structure [Rh(CO)Cl{(μ-N(t)BuP)2(C≡CPh)2}]5 Using (Phenylethynyl)cyclodiphosphazanes.","Inorganic chemistry","2015","54","4","1200","1202","10.1021/ic5028042","","","0.71073","MoKα","","0.0415","0.0386","","","0.099","0.1018","","","","","","1.129","","","","has coordinates","194623","2020-10-21","18:00:00",""
"4342185","15.812","0.002","21.489","0.003","22.68","0.003","75.41","0.005","88.901","0.006","69.876","0.005","6983.2","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C131 H149 Cl5 N13 O5 P10 Rh5 -","- C131 H149 Cl5 N13 O5 P10 Rh5 -","- C262 H298 Cl10 N26 O10 P20 Rh10 -","2","1","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Construction of the First Rhodium(I) Cyclic Pentameric Structure [Rh(CO)Cl{(μ-N(t)BuP)2(C≡CPh)2}]5 Using (Phenylethynyl)cyclodiphosphazanes.","Inorganic chemistry","2015","54","4","1200","1202","10.1021/ic5028042","","","0.7107","MoKα","","0.0724","0.0589","","","0.1354","0.1565","","","","","","1.116","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342186","10.0369","0.0018","13.096","0.002","22.234","0.004","94.415","0.004","93.12","0.005","109.393","0.004","2738.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H45 Cl3 Cu2 N20 O12 -","- C47 H45 Cl3 Cu2 N20 O12 -","- C94 H90 Cl6 Cu4 N40 O24 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.0929","0.0497","","","0.0773","0.0888","","","","","","0.792","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342187","12.8682","0.0018","13.9995","0.0019","15.841","0.002","90","","111.853","0.003","90","","2648.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44.5 H42.75 B3 Cu2 F12 N21.25 -","- C44.502 H42.753 B3 Cu2 F12 N21.251 -","- C89.004 H85.506 B6 Cu4 F24 N42.502 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.0629","0.055","","","0.1326","0.1387","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342188","23.91","0.007","12.374","0.004","23.705","0.007","90","","103.733","0.006","90","","6813","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H74 Cl3 Cu2 N19 O12 -","- C61 H74 Cl3 Cu2 N19 O12 -","- C244 H296 Cl12 Cu8 N76 O48 -","4","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.046","0.0376","","","0.0944","0.0994","","","","","","1.038","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342189","23.0409","0.0012","8.7757","0.0005","19.4868","0.001","90","","118.285","0.001","90","","3469.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu2 N20 -","- C28 H34 Cu2 N20 -","- C112 H136 Cu8 N80 -","4","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.0458","0.0366","","","0.0901","0.0955","","","","","","1.05","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342190","19.632","0.002","21.904","0.003","8.5445","0.001","90","","96.768","0.002","90","","3648.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C56 H68 Cu5 I7 N16 -","- C56 H68 Cu5 I7.0032 N16 -","- C112 H136 Cu10 I14.0064 N32 -","2","0.25","","Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2015","54","4","1487","1500","10.1021/ic502485p","","","0.71073","MoKα","","0.0515","0.0427","","","0.1065","0.1107","","","","","","1.135","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342191","7.3744","0.0002","9.8118","0.0003","9.9279","0.0003","89.688","0.003","79.05","0.003","70.221","0.003","662.31","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B2 F8 N8 Pd -","- C26 H20 B2 F8 N8 Pd -","- C26 H20 B2 F8 N8 Pd -","1","0.5","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0299","0.0297","","","0.0806","0.0811","","","","","","0.842","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342192","10.3552","0.0002","11.4167","0.0002","14.5647","0.0002","90","","96.576","0.001","90","","1710.54","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F8 N10 Pd -","- C32 H30 B2 F8 N10 Pd -","- C64 H60 B4 F16 N20 Pd2 -","2","0.5","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0388","0.0348","","","0.096","0.1023","","","","","","0.914","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342193","10.6447","0.0002","7.3798","0.0002","17.3843","0.0004","90","","91.101","0.002","90","","1365.38","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl2 N4 Pt -","- C13 H10 Cl2 N4 Pt -","- C52 H40 Cl8 N16 Pt4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0259","0.0245","","","0.0659","0.0672","","","","","","0.931","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342194","12.2296","0.0004","8.8429","0.0003","13.3825","0.0005","90","","93.592","0.003","90","","1444.41","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N4 Pt -","- C14 H12 Cl2 N4 Pt -","- C56 H48 Cl8 N16 Pt4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0571","0.0539","","","0.1552","0.1569","","","","","","1.076","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342195","6.8452","0.0002","14.1115","0.0002","11.3304","0.0002","90","","107.522","0.002","90","","1043.69","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H10 Cl N4 O3 Re -","- C16 H10 Cl N4 O3 Re -","- C32 H20 Cl2 N8 O6 Re2 -","2","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0764","0.0756","","","0.2035","0.2042","","","","","","0.89","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342196","7.6994","0.0008","20.7557","0.0002","12.6338","0.0001","90","","97.697","0.001","90","","2000.8","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl3 N4 O3 Re -","- C18 H14 Cl3 N4 O3 Re -","- C72 H56 Cl12 N16 O12 Re4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0326","0.0323","","","0.0907","0.0909","","","","","","1.149","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342197","9.6912","0.0001","11.1594","0.0002","20.3706","0.0003","98.878","0.002","101.413","0.001","102.91","0.001","2058.94","0.06","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Cl4 F12 N8 P2 Ru -","- C35 H30 Cl4 F12 N8 P2 Ru -","- C70 H60 Cl8 F24 N16 P4 Ru2 -","2","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0642","0.0609","","","0.1671","0.1721","","","","","","1.107","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342198","14.1879","0.0001","13.1562","0.0001","23.0537","0.0002","90","","98.165","0.001","90","","4259.56","0.06","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F12 N10 P2 Ru -","- C38 H34 F12 N10 P2 Ru -","- C152 H136 F48 N40 P8 Ru4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0287","0.0261","","","0.0706","0.0728","","","","","","1.091","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342199","9.8863","0.0002","12.5165","0.0002","17.2022","0.0002","78.429","0.002","84.92","0.002","78.27","0.002","2039.29","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 F12 N9 P2 Ru -","- C36 H31 F12 N9 P2 Ru -","- C72 H62 F24 N18 P4 Ru2 -","2","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.0418","0.0407","","","0.1126","0.116","","","","","","1.065","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342200","11.469","0.0014","25.503","0.004","13.5621","0.0012","90","","99.473","0.012","90","","3912.7","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 F12 N9 P2 Ru -","- C35 H29 F12 N9 P2 Ru -","- C140 H116 F48 N36 P8 Ru4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.1675","0.105","","","0.2291","0.2539","","","","","","1.088","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342201","20.7993","0.0003","18.0695","0.0002","21.9785","0.0002","90","","112.895","0.002","90","","7609.5","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 F24 N16 O P4 Ru2 -","- C72 H66 F24 N16 O P4 Ru2 -","- C288 H264 F96 N64 O4 P16 Ru8 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.5418","CuKα","","0.055","0.0415","","","0.1053","0.1154","","","","","","1.052","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342202","18.1877","0.001","9.2122","0.0003","16.8419","0.0009","90","","116.081","0.007","90","","2534.5","0.3","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Br F6 N4 P Pd -","- C23 H26 Br F6 N4 P Pd -","- C92 H104 Br4 F24 N16 P4 Pd4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.54184","CuKα","","0.0672","0.0476","","","0.1185","0.1252","","","","","","0.925","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342203","18.585","0.0002","25.355","0.0002","26.306","0.0002","90","","90","","90","","12396","0.19","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26.5 H29 Br Cl F6 N6 P Pd -","- C26.5 H29 Br Cl F6 N6 P Pd -","- C424 H464 Br16 Cl16 F96 N96 P16 Pd16 -","16","2","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.54184","CuKα","","0.0389","0.0319","","","0.0883","0.0968","","","","","","1.09","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342204","17.6493","0.0002","9.4317","0.0002","17.6839","0.0002","90","","91.556","0.002","90","","2942.63","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Br F6 N6 P Pd -","- C27 H30 Br F6 N6 P Pd -","- C108 H120 Br4 F24 N24 P4 Pd4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.54184","CuKα","","0.0284","0.026","","","0.0659","0.0678","","","","","","1.034","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342205","17.6942","0.0003","9.3405","0.0002","17.9939","0.0003","90","","93.049","0.002","90","","2969.69","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Br F6 N6 P Pd -","- C27 H30 Br F6 N6 P Pd -","- C108 H120 Br4 F24 N24 P4 Pd4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.54184","CuKα","","0.0331","0.0282","","","0.0711","0.0738","","","","","","1.03","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342206","6.8613","0.0002","17.8733","0.0004","20.9936","0.0004","72.697","0.001","87.112","0.001","83.748","0.001","2442.96","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cl F6 N7 P Pt -","- C21 H15 Cl F6 N7 P Pt -","- C84 H60 Cl4 F24 N28 P4 Pt4 -","4","2","","Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa","Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.","Inorganic chemistry","2015","54","4","1588","1596","10.1021/ic5025636","","","0.71073","MoKα","","0.0761","0.069","","","0.1838","0.1925","","","","","","1.129","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342207","18.8888","0.0004","11.6902","0.0002","11.2906","0.0002","90","","96.767","0.001","90","","2475.75","0.08","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N7 -","- C29 H35 N7 -","- C116 H140 N28 -","4","1","","Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa","Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.","Inorganic chemistry","2015","54","4","1588","1596","10.1021/ic5025636","","","0.71073","MoKα","","0.0945","0.0716","","","0.1511","0.1677","","","","","","1.064","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342208","17.3619","0.0002","6.8895","0.0001","18.4882","0.0003","90","","102.457","0.001","90","","2159.4","0.05","223","2","223","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C35 H49 Cl5 F6 N7 O P Pt -","- C35 H49 Cl5 F6 N7 O P Pt -","- C70 H98 Cl10 F12 N14 O2 P2 Pt2 -","2","0.5","","Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa","Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.","Inorganic chemistry","2015","54","4","1588","1596","10.1021/ic5025636","","","0.71073","MoKα","","0.0276","0.0266","","","0.068","0.069","","","","","","1.056","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342209","19.6031","0.0004","13.6843","0.0003","29.6267","0.0006","90","","95.421","0.001","90","","7912","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 F6 N11 P Pt -","- C36 H44 F6 N11 P Pt -","- C288 H352 F48 N88 P8 Pt8 -","8","2","","Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa","Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.","Inorganic chemistry","2015","54","4","1588","1596","10.1021/ic5025636","","","0.71073","MoKα","","0.087","0.0665","","","0.1323","0.1427","","","","","","1.157","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342210","8.5424","0.001","7.9608","0.001","13.2705","0.0016","90","","99.06","0.002","90","","891.19","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(DECO), diethylamide-cyanoxime","N,N'-diethylamono-2-oximino-cyanacetamide","","- C7 H11 N3 O2 -","- C7 H11 N3 O2 -","- C28 H44 N12 O8 -","4","1","","Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay","1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.","Inorganic chemistry","2015","54","4","1890","1900","10.1021/ic502805h","","","0.71073","MoKα","","0.0622","0.0404","","","0.0904","0.1011","","","","","","1.03","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342211","8.6971","0.0017","8.1819","0.0016","13.203","0.003","90","","98.548","0.002","90","","929.1","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(DECO), diethylamide-cyanoxime","N,N'-diethylamono-2-oximino-cyanacetamide","","- C7 H11 N3 O2 -","- C7 H11 N3 O2 -","- C28 H44 N12 O8 -","4","1","","Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay","1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.","Inorganic chemistry","2015","54","4","1890","1900","10.1021/ic502805h","","","0.71073","MoKα","","0.0601","0.0391","","","0.0934","0.107","","","","","","1.024","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342212","7.1454","0.0006","9.1247","0.0007","13.9509","0.0011","98.847","0.001","94.161","0.001","106.509","0.001","855.21","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Pd(DECO)2","Palladium(II) salt of bis-(N,N-diethylamide-2-oximino- 2-cyano-acetamide","","- C14 H20 N6 O4 Pd -","- C14 H20 N6 O4 Pd -","- C28 H40 N12 O8 Pd2 -","2","1","","Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay","1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.","Inorganic chemistry","2015","54","4","1890","1900","10.1021/ic502805h","","","0.71073","MoKα","","0.0198","0.0185","","","0.0405","0.0412","","","","","","1.109","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342213","7.2038","0.0004","9.0996","0.0005","13.8997","0.0007","98.983","0.001","94.639","0.001","106.381","0.001","855.91","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Pt(DECO)2","Platinum(II) bis{2-cyano-2-isonitroso-N,N'-diethylacetamide","","- C14 H20 N6 O4 Pt -","- C14 H20 N6 O4 Pt -","- C28 H40 N12 O8 Pt2 -","2","1","","Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay","1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.","Inorganic chemistry","2015","54","4","1890","1900","10.1021/ic502805h","","","0.71073","MoKα","","0.0225","0.0195","","","0.0366","0.0374","","","","","","1.114","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342214","27.0687","0.0018","9.1876","0.0006","14.3089","0.001","90","","102.96","0.001","90","","3467.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","red-dimer-Pt(DECO)","Pt(II) cis-(bis[2-oximino-2-cyano-N,N'-diethylacetamide])","","- C14 H20 N6 O4 Pt -","- C14 H20 N6 O4 Pt -","- C112 H160 N48 O32 Pt8 -","8","1","","Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay","1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.","Inorganic chemistry","2015","54","4","1890","1900","10.1021/ic502805h","","","0.71073","MoKα","","0.0375","0.0258","","","0.0446","0.0496","","","","","","1.115","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342215","5.8949","0.0002","7.7512","0.0003","8.5602","0.0003","94.8475","0.0015","91.5028","0.0015","99.4202","0.0015","384.16","0.02","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C2 H10 F4 Mo N2 O2 -","- C2 H10 F4 Mo N2 O2 -","- C4 H20 F8 Mo2 N4 O4 -","2","1","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.0178","0.0178","","","0.0699","0.07","","","","","","1.391","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342216","14.0496","0.0005","9.529","0.0003","13.2486","0.0005","90","","121.024","0.002","90","","1519.98","0.1","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 F4 Mo N2 O6 -","- C10 H16 F4 Mo N2 O6 -","- C40 H64 F16 Mo4 N8 O24 -","4","0.5","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.0213","0.0197","","","0.0543","0.0548","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342217","7.1281","0.0002","23.6372","0.0006","6.8472","0.0002","90","","93.013","0.001","90","","1152.08","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F4 N2 O2 W -","- C10 H10 F4 N2 O2 W -","- C40 H40 F16 N8 O8 W4 -","4","1","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.0254","0.0233","","","0.0575","0.0585","","","","","","1.173","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342218","6.9059","0.0005","23.546","0.0018","6.9082","0.0005","90","","93.806","0.005","90","","1120.84","0.14","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F5 N2 O V -","- C10 H10 F5 N2 O V -","- C40 H40 F20 N8 O4 V4 -","4","1","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.0946","0.0648","","","0.1507","0.1642","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342219","7.0963","0.0005","11.8413","0.0006","13.1477","0.0009","90","","90","","90","","1104.79","0.12","100","2","100","2","","","","","","","synthesis as described","5","I b a m","-I 2 2c","72","","","","- C10 H10 F6 N2 Ti -","- C10 H10 F6 N2 Ti -","- C40 H40 F24 N8 Ti4 -","4","0.25","","Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.","Inorganic chemistry","2015","54","4","1712","1719","10.1021/ic5026735","","x-ray","0.71069","MoKα","","0.072","0.054","","","0.1342","0.1401","","","","","","1.119","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342220","5.20649","0.00009","5.20649","","4.66276","0.00015","90","","90","","120","","109.462","0.004","298","","298","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn O6 Sb2 -","1","0.0833333","","Nalbandyan, Vladimir B.; Zvereva, Elena A.; Nikulin, Alexey Yu; Shukaev, Igor L.; Whangbo, Myung-Hwan; Koo, Hyun-Joo; Abdel-Hafiez, Mahmoud; Chen, Xiao-Jia; Koo, Changhyun; Vasiliev, Alexander N.; Klingeler, Rüdiger","New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties.","Inorganic chemistry","2015","54","4","1705","1711","10.1021/ic502666c","powder diffraction","x-ray","1.54056","CuKa","","","","","","","","0.01948","","1.79","","","","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342221","12.805","0.0011","21.5075","0.0016","10.2905","0.0007","90","","105.406","0.008","90","","2732.2","0.4","153","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cu Hg N2 O7 -","- C27 H30 Cu Hg N2 O7 -","- C108 H120 Cu4 Hg4 N8 O28 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana","Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1293","1299","10.1021/ic502514e","","","0.71073","MoKα","","0.0831","0.0628","","","0.1537","0.1699","","","","","","1.055","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342222","10.3212","0.0009","13.1358","0.0013","16.0182","0.0017","66.804","0.01","79.65","0.008","87.942","0.007","1962.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Cu Hg N3 O8 -","- C40 H47 Cu Hg N3 O8 -","- C80 H94 Cu2 Hg2 N6 O16 -","2","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana","Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1293","1299","10.1021/ic502514e","","","0.71073","MoKα","","0.1162","0.0852","","","0.2284","0.2784","","","","","","1.055","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342223","10.7914","0.0005","10.9401","0.0004","11.7748","0.0005","90.658","0.003","109.259","0.004","113.692","0.004","1184.93","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cu N2 O5 -","- C25 H32 Cu N2 O5 -","- C50 H64 Cu2 N4 O10 -","2","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana","Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1293","1299","10.1021/ic502514e","","","1.5418","CuKα","","0.0352","0.0344","","","0.0943","0.0952","","","","","","1.033","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342224","11.9681","0.0015","13.3575","0.0017","29.6973","0.0011","90","","96.541","0.006","90","","4716.6","0.9","100","2","100","2","","","","","","","dichloromethane, hexane","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 Cl2 N2 P2 Ru -","- C52 H39 Cl2 N2 P2 Ru -","- C208 H156 Cl8 N8 P8 Ru4 -","4","1","","Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta","Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.","Inorganic chemistry","2015","54","4","1384","1394","10.1021/ic502320m","","","0.71073","MoKα","","0.061","0.0423","","","0.0967","0.1024","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342225","11.3296","0.0008","15.2139","0.0015","26.28","0.003","90","","90","","90","","4529.8","0.8","100","2","100","2","","","","","","","toluene","7","P c c n","-P 2ab 2ac","56","","","","- C59.41 H47 Cl1.59 N2 O0.41 P2 Ru -","- C59.412 H47 Cl1.588 N2 O0.412 P2 Ru -","- C237.648 H188 Cl6.352 N8 O1.648 P8 Ru4 -","4","0.5","","Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta","Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.","Inorganic chemistry","2015","54","4","1384","1394","10.1021/ic502320m","","","0.71073","MoKα","","0.0791","0.0575","","","0.1315","0.1424","","","","","","1.232","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342226","12.199","0.003","30.062","0.008","13.339","0.004","90","","96.556","0.004","90","","4860","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H39 Br2 N2 Os P2 -","- C52 H39 Br2 N2 Os P2 -","- C208 H156 Br8 N8 Os4 P8 -","4","1","","Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta","Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.","Inorganic chemistry","2015","54","4","1384","1394","10.1021/ic502320m","","","0.71073","MoKα","","0.1064","0.0814","","","0.2134","0.2288","","","","","","1.041","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342227","11.876","0.003","13.325","0.002","29.659","0.003","90","","96.562","0.013","90","","4662.7","1.5","100","2","100","2","","","","","","","dichloromethane, hexane","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 Cl6 N2 P2 Rh -","- C54 H43 Cl6 N2 P2 Rh -","- C216 H172 Cl24 N8 P8 Rh4 -","4","1","","Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta","Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives.","Inorganic chemistry","2015","54","4","1384","1394","10.1021/ic502320m","","","0.71073","MoKα","","0.0635","0.0407","","","0.0883","0.0989","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342228","8.992","0.005","10.885","0.006","26","0.014","90","","90.605","0.008","90","","2545","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 As N3 -","- C32 H26 As N3 -","- C128 H104 As4 N12 -","4","1","","Choudhuri, Mohommad M. R.; Behzad, Mahdi; Al-Noaimi, Mousa; Yap, Glenn P. A.; Kaim, Wolfgang; Sarkar, Biprajit; Crutchley, Robert J.","Variable Noninnocence of Substituted Azobis(phenylcyanamido)diruthenium Complexes.","Inorganic chemistry","2015","54","4","1508","1517","10.1021/ic502487x","","","0.71073","MoKα","","0.0324","0.0284","","","0.075","0.0772","","","","","","1.069","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342229","12.0877","0.0018","12.4169","0.0018","16.301","0.0018","106.261","0.002","109.509","0.002","93.014","0.002","2184.9","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 As8 Cu4 N8 O43 V14 -","- C52 H56 As8 Cu4 N8 O43 V14 -","- C52 H56 As8 Cu4 N8 O43 V14 -","1","0.5","","He, Xue-Li; Liu, Yun-Ping; Gong, Kai-Ning; Han, Zhan-Gang; Zhai, Xue-Liang","Copper-Organic Cationic Ring with an Inserted Arsenic-Vanadium Polyanionic Cluster for Efficient Catalytic Cr(VI) Reduction Using Formic Acid.","Inorganic chemistry","2015","54","4","1215","1217","10.1021/ic5030444","","","0.71073","MoKα","","0.0809","0.0625","","","0.162","0.1728","","","","","","1.032","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342230","15.7","0.013","25.45","0.02","25.65","0.02","98.882","0.018","90.229","0.012","107.872","0.012","9623","13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H120 As16 Cd4 N20 O88 V28 -","- C120 H120 As16 Cd4 N20 O88 V28 -","- C240 H240 As32 Cd8 N40 O176 V56 -","2","1","","He, Xue-Li; Liu, Yun-Ping; Gong, Kai-Ning; Han, Zhan-Gang; Zhai, Xue-Liang","Copper-Organic Cationic Ring with an Inserted Arsenic-Vanadium Polyanionic Cluster for Efficient Catalytic Cr(VI) Reduction Using Formic Acid.","Inorganic chemistry","2015","54","4","1215","1217","10.1021/ic5030444","","","0.71073","MoKα","","0.0699","0.0462","","","0.1149","0.1301","","","","","","1.044","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342231","8.9031","0.0007","16.4605","0.0013","21.474","0.0017","90","","95.794","0.001","90","","3130.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl2 N O2.5 P Rh -","- C31 H31 Cl2 N O2.5 P Rh -","- C124 H124 Cl8 N4 O10 P4 Rh4 -","4","1","","Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.","Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.","Inorganic chemistry","2015","54","4","1912","1918","10.1021/ic502802f","","","0.71073","MoKα","","0.1067","0.0626","","","0.128","0.143","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342232","8.866","0.002","9.85","0.003","10.991","0.003","115.602","0.004","96.827","0.004","93.94","0.004","851.7","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N O P -","- C21 H16 N O P -","- C42 H32 N2 O2 P2 -","2","1","","Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.","Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.","Inorganic chemistry","2015","54","4","1912","1918","10.1021/ic502802f","","","0.71073","MoKα","","0.0677","0.0651","","","0.1463","0.148","","","","","","1.065","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342233","12.4931","0.0017","15.48","0.002","15.839","0.002","90.066","0.002","102.854","0.002","111.085","0.002","2775.3","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H53 Cl7 F6 N2 O2 P3 Rh -","- C55 H53 Cl7 F6 N2 O2 P3 Rh -","- C110 H106 Cl14 F12 N4 O4 P6 Rh2 -","2","1","","Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.","Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.","Inorganic chemistry","2015","54","4","1912","1918","10.1021/ic502802f","","","0.71073","MoKα","","0.0892","0.0506","","","0.1208","0.139","","","","","","1","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342234","18.365","0.01","6.855","0.004","10.38","0.006","90","","90","","90","","1306.8","1.3","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C14 H8 O6 V -","- C14 H8 O6 V -","- C56 H32 O24 V4 -","4","0.25","","Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.","Inorganic chemistry","2015","54","4","1822","1828","10.1021/ic502730y","","","0.71073","MoKα","","0.11","0.1004","","","0.2478","0.2528","","","","","","1.253","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342235","12.6011","0.0013","17.2874","0.0018","13.7364","0.0014","90","","90","","90","","2992.3","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12.56 H9.76 O7 V -","- C12.56 H8.8 O7 V -","- C100.48 H70.4 O56 V8 -","8","1","","Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.","Inorganic chemistry","2015","54","4","1822","1828","10.1021/ic502730y","","","0.71073","MoKα","","0.0944","0.053","","","0.1685","0.2124","","","","","","1.054","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342236","9.0961","0.0015","14.059","0.002","26.003","0.004","90","","92.872","0.003","90","","3321.1","0.9","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Dy2 Fe2 N16 Ni2 O24 -","- C50 H28 Dy2 Fe2 N16 Ni2 O24 -","- C100 H56 Dy4 Fe4 N32 Ni4 O48 -","2","0.5","","Hu, Kong-Qiu; Jiang, Xiang; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Slow Magnetization Relaxation in Ni(II)Dy(III)Fe(III) Molecular Cycles.","Inorganic chemistry","2015","54","4","1206","1208","10.1021/ic502874n","","","0.710747","MoKα","","0.0502","0.0454","","","0.1087","0.1128","","","","","","1.05","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342237","16.931","0.006","22.959","0.007","19.285","0.007","90","","105.893","0.007","90","","7210","4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H158 Dy2 Fe2 N24 Ni4 O34 -","- C108 H102 Dy2 Fe2 N24 Ni4 O34 -","- C216 H204 Dy4 Fe4 N48 Ni8 O68 -","2","0.5","","Hu, Kong-Qiu; Jiang, Xiang; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Slow Magnetization Relaxation in Ni(II)Dy(III)Fe(III) Molecular Cycles.","Inorganic chemistry","2015","54","4","1206","1208","10.1021/ic502874n","","","0.71073","MoKα","","0.0987","0.0852","","","0.2305","0.2453","","","","","","1.094","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342238","8.8854","0.0011","19.858","0.003","11.106","0.002","90","","102.438","0.008","90","","1913.6","0.5","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 O10 Ru2 -","- C40 H44 O10 Ru2 -","- C80 H88 O20 Ru4 -","2","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.7107","MoKα","","0.0405","0.0361","","","0.0938","0.0983","","","","","","1.103","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342239","10.0175","0.0019","14.828","0.003","16.41","0.004","75.169","0.006","79.666","0.008","75.517","0.008","2264","0.8","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C90.8 H53 Cl2.2 F24 N4 O16 Ru4 -","- C90.8 H54 Cl2.2 F24 N4 O16 Ru4 -","- C90.8 H54 Cl2.2 F24 N4 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","","0.0289","","","","0.0765","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342240","10.465","0.003","19.206","0.005","10.847","0.003","90","","105.236","0.004","90","","2103.5","1","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 F12 O10 Ru2 -","- C40 H32 F12 O10 Ru2 -","- C80 H64 F24 O20 Ru4 -","2","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.7107","MoKα","","0.0508","0.0442","","","0.121","0.1264","","","","","","0.997","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342241","9.4595","0.0009","21.3458","0.0019","20.198","0.002","90","","103.546","0.005","90","","3964.9","0.7","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 O10.5 Ru2 -","- C42 H44 O10.5 Ru2 -","- C168 H176 O42 Ru8 -","4","1","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.0332","0.0315","","","0.0808","0.0823","","","","","","1.063","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342242","10.146","0.004","14.69","0.006","16.296","0.007","74.464","0.018","79.95","0.03","78.36","0.03","2273.2","1.6","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H46 Cl2 F28 N4 O16 Ru4 -","- C90 H32 Cl2 F28 N4 O16 Ru4 -","- C90 H32 Cl2 F28 N4 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.1376","0.09","","","0.2272","0.2823","","","","","","1.052","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342243","11.624","0.004","15.454","0.005","15.732","0.005","96.213","0.003","108.752","0.003","107.136","0.003","2492.1","1.4","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C102 H90 Cl4 N8 O16 Ru4 S2 -","- C102 H90 Cl4 N8 O16 Ru4 S2 -","- C102 H90 Cl4 N8 O16 Ru4 S2 -","1","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.1016","0.0676","","","0.1708","0.1975","","","","","","1.066","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342244","10.196","0.003","14.23","0.004","16.164","0.004","74.925","0.017","78.792","0.017","79.635","0.015","2200.5","1.1","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H46 F24 N6 O20 Ru4 -","- C88 H46 F24 N6 O20 Ru4 -","- C88 H46 F24 N6 O20 Ru4 -","1","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.1435","0.0866","","","0.2149","0.2761","","","","","","1.057","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342245","16.769","0.008","15.677","0.007","16.921","0.008","90","","106.233","0.008","90","","4271","3","103","","103","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H32 B F16 O10 Ru2 -","- C40 H32 B F16 O10 Ru2 -","- C160 H128 B4 F64 O40 Ru8 -","4","1","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.7107","MoKα","","0.059","0.0481","","","0.1204","0.1314","","","","","","1.084","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342246","43.973","0.009","8.4172","0.0016","22.323","0.005","90","","103.691","0.003","90","","8028","3","103","","103","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 B F4 O10 Ru2 -","- C40 H36 B F4 O10 Ru2 -","- C320 H288 B8 F32 O80 Ru16 -","8","1","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.0582","0.0516","","","0.1285","0.134","","","","","","1.051","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342247","10.7395","0.0017","11.92","0.002","15.796","0.003","82.817","0.005","82.93","0.006","76.098","0.006","1938.4","0.6","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H66 N8 O16 Ru4 S2 -","- C84 H66 N8 O16 Ru4 S2 -","- C84 H66 N8 O16 Ru4 S2 -","1","0.5","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.0447","0.0343","","","0.0857","0.0911","","","","","","1.047","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342248","11.207","0.003","12.481","0.003","15.446","0.003","75.132","0.008","78.785","0.009","81.203","0.008","2036.2","0.8","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 B F4 O10 Ru2 -","- C40 H32 B F4 O10 Ru2 -","- C80 H64 B2 F8 O20 Ru4 -","2","1","","Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi","Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).","Inorganic chemistry","2015","54","4","1518","1527","10.1021/ic502513p","","","0.71075","MoKα","","0.0615","0.0527","","","0.1437","0.1542","","","","","","1.063","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342249","13.032","0.002","13.032","0.002","30.206","0.005","90","","90","","120","","4442.7","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H42 Cu6 I6 N6 Si2 -","- C56 H41.9994 Cu6 I6 N6 Si2 -","- C168 H125.998 Cu18 I18 N18 Si6 -","3","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0384","0.024","","","0.0486","0.0528","","","","","","1.012","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342250","13.664","0.004","13.664","0.004","13.849","0.004","90","","90","","120","","2239.3","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H15 N3 Si -","- C16 H14.9997 N3 Si -","- C96 H89.9982 N18 Si6 -","6","0.333333","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.1062","0.0795","","","0.2234","0.2485","","","","","","1.044","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342251","10.6679","0.0018","17.828","0.003","13.673","0.003","90","","92.881","0.004","90","","2597.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Cu I N3 Si -","- C28 H21 Cu I N3 Si -","- C112 H84 Cu4 I4 N12 Si4 -","4","1","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0547","0.0352","","","0.0755","0.0841","","","","","","1.015","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342252","10.087","0.004","11.412","0.004","14.137","0.006","112.294","0.01","95.693","0.009","99.292","0.009","1462.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 Cu I N4 O Si -","- C31 H28 Cu I N4 O Si -","- C62 H56 Cu2 I2 N8 O2 Si2 -","2","1","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.1156","0.0556","","","0.1445","0.1802","","","","","","0.986","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342253","13.076","0.002","13.076","0.002","30.416","0.005","90","","90","","120","","4503.8","1.2","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H42 Cu6 I6 N6 Si2 -","- C56 H41.9994 Cu6 I6 N6 Si2 -","- C168 H125.998 Cu18 I18 N18 Si6 -","3","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.066","0.0357","","","0.0737","0.0857","","","","","","1","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342254","13.31","0.002","13.31","0.002","41.548","0.007","90","","90","","120","","6374.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C32 H30 Cu6 I6 N6 Si2 -","- C32 H29.9994 Cu6 I6 N6 Si2 -","- C192 H179.996 Cu36 I36 N36 Si12 -","6","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0214","0.0151","","","0.0311","0.033","","","","","","1.049","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342255","13.292","0.011","13.292","0.011","41.79","0.04","90","","90","","120","","6394","10","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H30 Cu6 I6 N6 O0 Si2 -","- C32 H29.9994 Cu6 I6 N6 Si2 -","- C192 H179.996 Cu36 I36 N36 Si12 -","6","0.166667","","Deshmukh, Mahesh S.; Yadav, Ashok; Pant, Rakesh; Boomishankar, Ramamoorthy","Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal-Organic Frameworks Based on Cu6I6 Clusters.","Inorganic chemistry","2015","54","4","1337","1345","10.1021/ic502207f","","","0.71073","MoKα","","0.0972","0.044","","","0.0855","0.1046","","","","","","0.999","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342256","17.8678","0.0007","17.7949","0.0007","23.5518","0.0009","98.682","0.003","105.75","0.003","90.307","0.003","7116.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Cd4 Cs10 O17.5 Se17 Sn4 -","- Cd4 Cs10 O17.25 Se17 Sn4 -","- Cd16 Cs40 O69 Se68 Sn16 -","4","2","","Santner, Silke; Dehnen, Stefanie","[M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment and as Ternary Precursors for Ionothermal Treatment.","Inorganic chemistry","2015","54","4","1188","1190","10.1021/ic5026087","","","0.71073","MoKα","","0.1013","0.0874","","","0.2101","0.218","","","","","","1.161","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342257","12.1058","0.0006","13.2204","0.0006","18.2504","0.0008","90","","120.839","0.003","90","","2507.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6.5 H25 Mn N6 Se7 Sn3 -","- C6.5 H25 Mn N6 Se7 Sn3 -","- C26 H100 Mn4 N24 Se28 Sn12 -","4","1","","Santner, Silke; Dehnen, Stefanie","[M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment and as Ternary Precursors for Ionothermal Treatment.","Inorganic chemistry","2015","54","4","1188","1190","10.1021/ic5026087","","","0.71073","MoKα","","0.039","0.0251","","","0.0422","0.0453","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342258","13.537","0.003","15.256","0.003","18.41","0.004","76.98","0.03","73.78","0.03","69.57","0.03","3386.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs10 O15 Se17 Sn4 Zn4 -","- Cs10 O16 Se17 Sn4 Zn4 -","- Cs20 O32 Se34 Sn8 Zn8 -","2","1","","Santner, Silke; Dehnen, Stefanie","[M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment and as Ternary Precursors for Ionothermal Treatment.","Inorganic chemistry","2015","54","4","1188","1190","10.1021/ic5026087","","","0.71073","MoKα","","0.103","0.0723","","","0.183","0.1972","","","","","","1.041","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342259","13.717","0.003","15.502","0.003","18.481","0.004","77.02","0.03","74.35","0.03","69.71","0.03","3511.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs10 Mn4 O15.5 Se17 Sn4 -","- Cs10 Mn4 O15.5 Se17 Sn4 -","- Cs20 Mn8 O31 Se34 Sn8 -","2","1","","Santner, Silke; Dehnen, Stefanie","[M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment and as Ternary Precursors for Ionothermal Treatment.","Inorganic chemistry","2015","54","4","1188","1190","10.1021/ic5026087","","","0.71073","MoKα","","0.128","0.0463","","","0.0751","0.089","","","","","","0.718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342260","20.174","0.0016","9.7329","0.0007","10.7371","0.0007","90","","94.24","0.007","90","","2102.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl0 Co N2 O8 P -","- C20 H23 Co N2 O8 P -","- C80 H92 Co4 N8 O32 P4 -","4","1","","Ding, Qing-Rong; Li, Li-Ming; Zhang, Lei; Zhang, Jian","Multiarylpolycarboxylate-mediated hybrid cobalt phosphate frameworks with supramolecular zeolitic topology and unusual i(2)o(2) connectivity.","Inorganic chemistry","2015","54","4","1209","1211","10.1021/ic502895u","","","0.71073","MoKα","","0.0967","0.0759","","","0.236","0.2572","","","","","","1.091","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342261","13.809","","13.809","","30.004","","90","","90","","120","","4954.89","","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H51 Cl Co5 N6 O18 P3 -","- C36 H51 Cl Co5 N6 O18 P3 -","- C144 H204 Cl4 Co20 N24 O72 P12 -","4","0.333333","","Ding, Qing-Rong; Li, Li-Ming; Zhang, Lei; Zhang, Jian","Multiarylpolycarboxylate-mediated hybrid cobalt phosphate frameworks with supramolecular zeolitic topology and unusual i(2)o(2) connectivity.","Inorganic chemistry","2015","54","4","1209","1211","10.1021/ic502895u","","","0.71073","MoKα","","0.0524","0.0486","","","0.1458","0.1498","","","","","","1.132","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342262","14.91","0.002","27.835","0.004","19.579","0.003","90","","106.574","0.003","90","","7788.1","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H101 F6 Fe2 N8 O Sb -","- C86 H101 F6 Fe2 N8 O Sb -","- C344 H404 F24 Fe8 N32 O4 Sb4 -","4","1","","Sainna, Mala A.; Sil, Debangsu; Sahoo, Dipankar; Martin, Bodo; Rath, Sankar Prasad; Comba, Peter; de Visser, Sam P.","Spin-State Ordering in Hydroxo-Bridged Diiron(III)bisporphyrin Complexes.","Inorganic chemistry","2015","54","4","1919","1930","10.1021/ic502803b","","","0.71073","MoKα","","0.1521","0.0774","","","0.1743","0.223","","","","","","1.024","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342263","10.4834","0.0005","12.4258","0.0007","14.6535","0.0009","84.733","0.002","86.098","0.002","71.663","0.002","1802.71","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H29 Cl3 N8 Ni -","- C41 H29 Cl3 N8 Ni -","- C82 H58 Cl6 N16 Ni2 -","2","1","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.1193","0.0634","","","0.1629","0.199","","","","","","1.042","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342264","16.1335","0.0004","10.5421","0.0004","29.7008","0.0009","90","","105.715","0.002","90","","4862.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cl6 N8 Ni -","- C54 H38 Cl6 N8 Ni -","- C216 H152 Cl24 N32 Ni4 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.0851","0.0498","","","0.1109","0.1292","","","","","","1.061","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342265","14.8638","0.0003","10.3919","0.0002","15.4982","0.0003","90","","115.884","0.001","90","","2153.74","0.08","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H44 N10 Ni O -","- C52 H44 N10 Ni O -","- C104 H88 N20 Ni2 O2 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.059","0.0435","","","0.1127","0.1272","","","","","","1.093","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342266","13.0316","0.0011","13.1577","0.0011","13.6126","0.0011","76.875","0.004","75.376","0.004","63.567","0.003","2004.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H61 Cl9 N20 Ni2 -","- C83 H61 Cl9 N20 Ni2 -","- C83 H61 Cl9 N20 Ni2 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.1669","0.0898","","","0.211","0.2578","","","","","","1.072","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342267","22.2012","0.0005","8.8143","0.0002","22.3347","0.0005","90","","102.196","0.001","90","","4271.99","0.17","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C86 H72 Cd Cl2 N18 Ni2 O3 -","- C86 H70 Cd Cl2 N18 Ni2 O3 -","- C172 H140 Cd2 Cl4 N36 Ni4 O6 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.0921","0.0584","","","0.1685","0.193","","","","","","1.061","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342268","32.6713","0.0007","9.4472","0.0002","38.4422","0.0008","90","","107.443","0.001","90","","11319.7","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H116 Cd Cl2 N22 Ni2 O7 -","- C122 H107 Cd Cl2 N22 Ni2 O7 -","- C488 H428 Cd4 Cl8 N88 Ni8 O28 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.0771","0.0625","","","0.18","0.1947","","","","","","1.084","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342269","32.2015","0.0009","9.389","0.0003","38.2629","0.0012","90","","106.859","0.001","90","","11071.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H76 Cd Cl6 N16 Ni2 -","- C106 H76 Cd Cl6 N16 Ni2 -","- C424 H304 Cd4 Cl24 N64 Ni8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.1011","0.0651","","","0.1745","0.189","","","","","","1.047","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342270","23.9011","0.0008","34.6395","0.0008","13.4553","0.0003","90","","90","","90","","11139.9","0.5","173","2","173","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C95 H93 Cd Cl2 N25 Ni2 O5 -","- C95 H90 Cd Cl2 N25 Ni2 O5 -","- C380 H360 Cd4 Cl8 N100 Ni8 O20 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A; Rogez, Guillaume; Hosseini, Mir Wais","Assembly, disassembly, and reassembly: conversion of homometallic coordination networks into mixed metal-organic frameworks.","Inorganic chemistry","2015","54","4","2032","2039","10.1021/ic502950k","","","0.71073","MoKα","","0.0516","0.0383","","","0.0883","0.0917","","","","","","1.035","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342271","8.244","0.003","12.08","0.004","23.431","0.007","90","","90","","90","","2333.4","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Ga N4 O9 -","- C24 H26 Ga N4 O9 -","- C96 H104 Ga4 N16 O36 -","4","1","","Ramogida, Caterina F.; Cawthray, Jacqueline F.; Boros, Eszter; Ferreira, Cara L.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","H2CHXdedpa and H4CHXoctapa-Chiral Acyclic Chelating Ligands for (67/68)Ga and (111)In Radiopharmaceuticals.","Inorganic chemistry","2015","54","4","2017","2031","10.1021/ic502942a","","x-ray","0.71073","MoKα","","0.0456","0.0413","","","0.0962","0.0983","","","","","","1.074","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342272","11.777","0.004","19.775","0.006","14.964","0.005","90","","93.24","0.02","90","","3479","2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61.5 H72.5 Cl3 Ga3 N12 O26.5 -","- C61.62 H72.48 Cl3 Ga3 N12 O26.62 -","- C123.24 H144.96 Cl6 Ga6 N24 O53.24 -","2","1","","Ramogida, Caterina F.; Cawthray, Jacqueline F.; Boros, Eszter; Ferreira, Cara L.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","H2CHXdedpa and H4CHXoctapa-Chiral Acyclic Chelating Ligands for (67/68)Ga and (111)In Radiopharmaceuticals.","Inorganic chemistry","2015","54","4","2017","2031","10.1021/ic502942a","","","0.71069","MoKα","","0.0987","0.0619","","","0.1502","0.1731","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342273","10.9982","0.0002","18.7313","0.0002","12.0421","0.0002","90","","94.2202","0.0006","90","","2474.07","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Li2 N6 -","- C54 H72 Li2 N6 -","- C108 H144 Li4 N12 -","2","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.0436","0.0402","","","0.1073","0.1103","","","","","","1.055","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342274","9.3324","0.0007","9.5737","0.0007","19.7142","0.0014","91.4794","0.001","96.1262","0.001","111.416","0.0009","1626.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H40 Br3 N3 Si -","- C30.5 H40 Br3 N3 Si -","- C61 H80 Br6 N6 Si2 -","2","1","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","0.71073","MoKα","","0.0675","0.0379","","","0.0745","0.0837","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342275","19.1921","0.0012","12.6413","0.0008","25.6094","0.0016","90","","110.596","0.0007","90","","5816.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H77 Br2 F N6 Si -","- C60 H77 Br2 F N6 Si -","- C240 H308 Br8 F4 N24 Si4 -","4","1","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","0.71073","MoKα","","0.0421","0.0326","","","0.0883","0.094","","","","","","1.015","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342276","15.59","0.0002","17.6069","0.0003","22.2395","0.0003","90","","90","","90","","6104.56","0.15","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H92 K2 N6 O2 Si -","- C62 H92 K2 N6 O2 Si -","- C248 H368 K8 N24 O8 Si4 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.052","0.0475","","","0.1318","0.1384","","","","","","1.032","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342277","15.7413","0.0005","16.9705","0.0005","23.123","0.0007","90","","90","","90","","6177","0.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C68 H88 K2 N6 Si -","- C68 H88 K2 N6 Si -","- C272 H352 K8 N24 Si4 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","0.71073","MoKα","","0.0631","0.0446","","","0.1137","0.1274","","","","","","1.019","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342278","12.1444","0.0002","21.8298","0.0003","20.3141","0.0003","90","","94.4491","0.0007","90","","5369.24","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 N6 O Si2 -","- C56 H78 N6 O Si2 -","- C224 H312 N24 O4 Si8 -","4","1","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.0558","0.0434","","","0.1148","0.1238","","","","","","1.029","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342279","9.3618","0.0003","9.4782","0.0003","19.3727","0.0007","89.2845","0.0004","84.279","0.0004","69.4191","0.0004","1600.8","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H40 Cl3 Ge N3 -","- C30.5 H40 Cl3 Ge N3 -","- C61 H80 Cl6 Ge2 N6 -","2","1","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","0.71073","MoKα","","0.0272","0.0247","","","0.0656","0.0676","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342280","19.1837","0.0003","12.563","0.0002","25.6436","0.0004","90","","110.829","0.0005","90","","5776.33","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H77 Cl2 F Ge N6 -","- C60 H77 Cl2 F Ge N6 -","- C240 H308 Cl8 F4 Ge4 N24 -","4","1","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.0397","0.0373","","","0.1029","0.1056","","","","","","1.058","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342281","11.8062","0.0003","19.8956","0.0005","21.8851","0.0005","90","","90","","90","","5140.6","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H72 Cl0.09 Ge N6 -","- C54 H72 Cl0.09 Ge N6 -","- C216 H288 Cl0.36 Ge4 N24 -","4","0.5","","Lui, Melanie W.; Merten, Christian; Ferguson, Michael J.; McDonald, Robert; Xu, Yunjie; Rivard, Eric","Contrasting reactivities of silicon and germanium complexes supported by an N-heterocyclic guanidine ligand.","Inorganic chemistry","2015","54","4","2040","2049","10.1021/ic5029838","","","1.54178","CuKα","","0.0464","0.0355","","","0.0926","0.0996","","","","","","1.034","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342282","9.8771","0.0008","25.0791","0.0016","12.6244","0.0009","90","","95.955","0.007","90","","3110.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Na O7 -","- C37 H37 Na O7 -","- C148 H148 Na4 O28 -","4","1","","Xiong, Jiao; Zhang, Jinjin; Sun, Yangyang; Dai, Zhongran; Pan, Xiaobo; Wu, Jincai","Iso-Selective Ring-Opening Polymerization of rac-Lactide Catalyzed by Crown Ether Complexes of Sodium and Potassium Naphthalenolates.","Inorganic chemistry","2015","54","4","1737","1743","10.1021/ic502685f","","","0.71073","MoKα","","0.1393","0.082","","","0.1963","0.2399","","","","","","0.978","","","","has coordinates,has disorder","179525","2020-10-21","18:00:00",""
"4342283","17.2945","0.0003","14.4199","0.0002","27.1372","0.0004","90","","90","","90","","6767.61","0.18","149.8","0.4","149.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H41 K O8 -","- C39 H41 K O8 -","- C312 H328 K8 O64 -","8","1","","Xiong, Jiao; Zhang, Jinjin; Sun, Yangyang; Dai, Zhongran; Pan, Xiaobo; Wu, Jincai","Iso-Selective Ring-Opening Polymerization of rac-Lactide Catalyzed by Crown Ether Complexes of Sodium and Potassium Naphthalenolates.","Inorganic chemistry","2015","54","4","1737","1743","10.1021/ic502685f","","","1.54184","CuKα","","0.0478","0.0445","","","0.1171","0.1209","","","","","","1.015","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342284","3.7958","0.0001","3.7958","0.0001","9.2207","0.0007","90","","90","","90","","132.853","0.011","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.15 H Li0.83 O Se -","- Fe1.148 H Li0.825 O Se -","- Fe2.296 H2 Li1.65 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0288","0.0248","","0.0514","0.0492","0.0514","","","","","","1.1152","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342285","3.7861","0.0002","3.7861","0.0002","9.2228","0.0007","90","","90","","90","","132.205","0.014","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.14 H Li0.83 O Se -","- Fe1.145 H Li0.832 O Se -","- Fe2.29 H2 Li1.664 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0204","0.0168","","0.0659","0.0411","0.0412","","","","","","1.0922","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342286","3.802","0.0001","3.802","0.0001","9.1098","0.0002","90","","90","","90","","131.684","0.006","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.06 H Li0.81 O Se -","- Fe1.067 H Li0.809 O Se -","- Fe2.134 H2 Li1.618 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0202","0.0195","","0.0666","0.0661","0.0666","","","","","","1.0003","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342287","3.7793","0.0004","3.7793","0.0004","9.192","0.002","90","","90","","90","","131.29","0.03","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.15 H Li0.81 O Se -","- Fe1.148 H Li0.808 O Se -","- Fe2.296 H2 Li1.616 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0568","0.0363","","0.0934","0.0817","0.0934","","","","","","1.0057","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342288","3.7782","0.0001","3.7782","0.0001","9.1728","0.0004","90","","90","","90","","130.94","0.008","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.17 H Li0.8 O Se -","- Fe1.17 H Li0.8 O Se -","- Fe2.34 H2 Li1.6 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0403","0.029","","0.0887","0.087","0.0887","","","","","","0.8175","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342289","3.8219","0.0005","3.8219","0.0005","9.175","0.002","90","","90","","90","","134.02","0.04","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.04 H Li0.82 O Se -","- Fe1.05 H Li0.82 O Se -","- Fe2.1 H2 Li1.64 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0901","0.0736","","0.1942","0.1801","0.1942","","","","","","1.0367","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342290","3.7709","0.0002","3.7709","0.0002","9.1562","0.0006","90","","90","","90","","130.198","0.013","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.19 H Li0.79 O Se -","- Fe1.188 H Li0.79 O Se -","- Fe2.376 H2 Li1.58 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0762","0.0546","","0.1832","0.1712","0.1832","","","","","","0.8408","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342291","3.8025","0.0001","3.8025","0.0001","9.2345","0.0005","90","","90","","90","","133.522","0.009","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.15 H Li0.81 O Se -","- Fe1.147 H Li0.813 O Se -","- Fe2.294 H2 Li1.626 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0454","0.0418","","0.1908","0.1701","0.1908","","","","","","1.0033","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342292","3.7944","0.0001","3.7944","0.0001","9.2171","0.0005","90","","90","","90","","132.703","0.009","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.16 H Li0.81 O Se -","- Fe1.16 H Li0.809 O Se -","- Fe2.32 H2 Li1.618 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0364","0.0343","","0.1294","0.128","0.1294","","","","","","1.0037","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342293","3.8038","0.0001","3.8038","0.0001","9.1052","0.0005","90","","90","","90","","131.742","0.009","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.06 H Li0.8 O Se -","- Fe1.06 H Li0.8 O Se -","- Fe2.12 H2 Li1.6 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0249","0.0196","","0.0464","0.0455","0.0464","","","","","","1.0239","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342294","3.8249","0.0001","3.8249","0.0001","9.2378","0.0007","90","","90","","90","","135.148","0.011","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.1 H Li0.82 O Se -","- Fe1.096 H Li0.824 O Se -","- Fe2.192 H2 Li1.648 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0403","0.0302","","0.0758","0.075","0.0758","","","","","","0.9973","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342295","3.7677","0.0002","3.7677","0.0002","9.1552","0.0012","90","","90","","90","","129.96","0.02","100","","100","","","","","","","","hydrothermal synthesis","5","P 4/n m m :2","-P 4a 2a","129","","Lithium iron selenide hydroxide","","- Fe1.19 H Li0.79 O Se -","- Fe1.189 H Li0.793 O Se -","- Fe2.378 H2 Li1.586 O2 Se2 -","2","0.125","","Sun, Hualei; Woodruff, Daniel N.; Cassidy, Simon J.; Allcroft, Genevieve M.; Sedlmaier, Stefan J.; Thompson, Amber L.; Bingham, Paul A.; Forder, Susan D.; Cartenet, Simon; Mary, Nicolas; Ramos, Silvia; Foronda, Francesca R.; Williams, Benjamin H.; Li, Xiaodong; Blundell, Stephen J.; Clarke, Simon J.","Soft Chemical Control of Superconductivity in Lithium Iron Selenide Hydroxides Li1-xFex(OH)Fe1-ySe.","Inorganic chemistry","2015","54","4","1958","1964","10.1021/ic5028702","","","0.6889","Synchrotron","","0.0418","0.0334","","0.0804","0.0774","0.0804","","","","","","0.8466","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4342296","10.7271","0.0008","14.1716","0.001","14.697","0.0011","65.813","0.002","81.033","0.002","87.04","0.002","2013","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 B N O -","- C45 H40 B N O -","- C90 H80 B2 N2 O2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.0767","0.0522","","","0.1217","0.1325","","","","","","1.055","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342297","13.5669","0.0007","14.159","0.0007","18.4513","0.0009","81.226","0.001","78.651","0.002","65.279","0.001","3146.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 B2 N2 O4 -","- C84 H64 B2 N2 O4 -","- C168 H128 B4 N4 O8 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.1218","0.0685","","","0.1629","0.1901","","","","","","1.022","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342298","10.3111","0.0003","15.8416","0.0005","11.703","0.0004","90","","115.112","0.001","90","","1730.93","0.1","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C47 H35 B O -","- C47 H35 B O -","- C94 H70 B2 O2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.0634","0.0398","","","0.0764","0.0839","","","","","","1.027","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342299","12.8212","0.0016","15.808","0.002","16.9423","0.0019","100.047","0.004","103.508","0.004","109.228","0.004","3032.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 B O -","- C41 H31 B O -","- C164 H124 B4 O4 -","4","2","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.1098","0.0829","","","0.2446","0.2616","","","","","","1.13","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342300","10.0622","0.0005","12.3656","0.0007","14.08","0.0008","64.008","0.002","82.155","0.002","77.067","0.002","1533.29","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H70 N2 O -","- C82 H70 N2 O -","- C82 H70 N2 O -","1","0.5","","Huang, Kexuan; Martin, Caleb D.","Ring expansion reactions of pentaphenylborole with dipolar molecules as a route to seven-membered boron heterocycles.","Inorganic chemistry","2015","54","4","1869","1875","10.1021/ic502784d","","","0.71073","MoKα","","0.0835","0.0543","","","0.1342","0.1527","","","","","","1.031","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342301","10.033","0.002","10.751","0.002","15.079","0.003","89.06","0.03","85.07","0.03","67.71","0.03","1499.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Cu2 O12 P4 -","- C24 H36 Cu2 O12 P4 -","- C48 H72 Cu4 O24 P8 -","2","1","","Gelfand, Benjamin S.; Lin, Jian-Bin; Shimizu, George K. H.","Design of a humidity-stable metal-organic framework using a phosphonate monoester ligand.","Inorganic chemistry","2015","54","4","1185","1187","10.1021/ic502478u","","","0.71073","MoKα","","0.0929","0.0793","","","0.2882","0.3017","","","","","","1.001","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342302","7.8523","0.0009","8.8092","0.0009","23.923","0.003","92.108","0.002","92.974","0.002","94.718","0.002","1645.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H60 Cl6 N8 Na4 O36 P4 Re2 -","- C36 H57.04 Cl6 N8 Na4 O36 P4 Re2 -","- C36 H57.04 Cl6 N8 Na4 O36 P4 Re2 -","1","0.5","","Yazdani, Abdolreza; Janzen, Nancy; Banevicius, Laura; Czorny, Shannon; Valliant, John F.","Imidazole-based [2 + 1] re(i)/(99m)tc(i) complexes as isostructural nuclear and optical probes.","Inorganic chemistry","2015","54","4","1728","1736","10.1021/ic502663p","","","0.71073","MoKα","","0.0416","0.0374","","","0.1048","0.1065","","","","","","1.063","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4342303","12.8456","0.0004","9.6955","0.0003","21.2199","0.0007","90","","101.304","0.0018","90","","2591.55","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N5 O7 Re S -","- C22 H22 N5 O7 Re S -","- C88 H88 N20 O28 Re4 S4 -","4","1","","Yazdani, Abdolreza; Janzen, Nancy; Banevicius, Laura; Czorny, Shannon; Valliant, John F.","Imidazole-based [2 + 1] re(i)/(99m)tc(i) complexes as isostructural nuclear and optical probes.","Inorganic chemistry","2015","54","4","1728","1736","10.1021/ic502663p","","","0.71073","MoKα","","0.0265","0.0197","","","0.0422","0.0451","","","","","","1.057","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342304","10.0578","0.0003","41.8918","0.0012","10.6748","0.0003","90","","112.046","0.0011","90","","4168.9","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 Al Ge -","- C51 H59 Al Ge -","- C204 H236 Al4 Ge4 -","4","1","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","1.54178","CuKα","","0.0297","0.027","","","0.0674","0.069","","","","","","1.013","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342305","10.0737","0.0006","42.017","0.002","10.6677","0.0006","90","","112.093","0.001","90","","4183.7","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 Ga Ge -","- C51 H59 Ga Ge -","- C204 H236 Ga4 Ge4 -","4","1","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","0.71073","MoKα","","0.0442","0.0313","","","0.0669","0.0718","","","","","","1.029","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342306","17.4128","0.0003","11.1501","0.0002","23.5548","0.0004","90","","109.382","0.0005","90","","4314.09","0.13","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 Ga Sn -","- C51 H59 Ga Sn -","- C204 H236 Ga4 Sn4 -","4","1","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","1.54178","CuKα","","0.0251","0.0248","","","0.0675","0.0678","","","","","","1.038","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342307","11.508","0.0005","12.5011","0.0006","14.8554","0.0007","90","","93.2786","0.0016","90","","2133.64","0.17","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Al0.17 Pb0.83 -","- C25 H28 Al0.17 Pb0.83 -","- C100 H112 Al0.68 Pb3.32 -","4","1","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","1.54178","CuKα","","0.0298","0.0293","","","0.0735","0.0738","","","","","","1.229","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342308","11.6704","0.0005","12.4932","0.0005","15.2679","0.0006","90","","90.482","0.001","90","","2225.99","0.16","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25.9 H30.7 Ga0.95 Pb0.05 -","- C25.9 H30.7 Ga0.95 Pb0.05 -","- C103.6 H122.8 Ga3.8 Pb0.2 -","4","1","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","1.54178","CuKα","","0.0419","0.0395","","","0.1049","0.1073","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342309","13.1973","0.0009","13.1973","0.0009","22.4007","0.0015","90","","90","","120","","3378.8","0.4","90","2","90","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C75 H84 Sn5 -","- C75 H84 Sn5 -","- C150 H168 Sn10 -","2","0.166667","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","0.71073","MoKα","","0.0275","0.0237","","","0.0635","0.0678","","","","","","1.112","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342310","15.1913","0.0006","9.7004","0.0004","16.6409","0.0007","90","","112.141","0.0017","90","","2271.41","0.16","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Al -","- C26 H31 Al -","- C104 H124 Al4 -","4","0.5","","Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Reaction of a germylene, stannylene, or plumbylene with trimethylaluminum and trimethylgallium: insertion into Al-C or ga-C bonds, a reversible metal-carbon insertion equilibrium, and a new route to diplumbenes.","Inorganic chemistry","2015","54","4","1940","1948","10.1021/ic502824w","","","1.54178","CuKα","","0.041","0.0392","","","0.1121","0.1136","","","","","","1.078","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342311","33.8846","0.0001","33.8846","0.0001","33.8846","0.0001","90","","90","","90","","38905.1","0.2","296","2","296","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","","","- C102 H99 Co8.5 N24 O13 -","- C102 H99 Co8.5 N24 O13 -","- C816 H792 Co68 N192 O104 -","8","0.333333","","Wang, Hai-Hua; Jia, Li-Na; Hou, Lei; Shi, Wen-Juan; Zhu, Zhonghua; Wang, Yao-Yu","A New Porous MOF with Two Uncommon Metal-Carboxylate-Pyrazolate Clusters and High CO2/N2 Selectivity.","Inorganic chemistry","2015","54","4","1841","1846","10.1021/ic502733v","","","1.54178","CuKα","","0.0889","0.0703","","","0.1527","0.192","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342312","13.108","0.003","14.162","0.003","18.805","0.007","90","","112.71","0.02","90","","3220.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 F12 N8 O14 S4 U -","- C54 H54 F12 N8 O14 S4 U -","- C108 H108 F24 N16 O28 S8 U2 -","2","0.5","","Yuan, Li-Yong; Sun, Man; Mei, Lei; Wang, Lin; Zheng, Li-Rong; Gao, Zeng-Qiang; Zhang, Jing; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","New Insight of Coordination and Extraction of Uranium(VI) with N-Donating Ligands in Room Temperature Ionic Liquids: N,N'-Diethyl-N,N'-ditolyldipicolinamide as a Case Study.","Inorganic chemistry","2015","54","4","1992","1999","10.1021/ic502890w","","","0.71073","MoKα","","0.0403","0.0264","","","0.0589","0.0643","","","","","","1.025","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342313","13.199","0.003","15.96","0.003","26.991","0.005","90","","101.64","0.03","90","","5569","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 F12 N6 O6 P2 U -","- C50 H54 F12 N6 O6 P2 U -","- C200 H216 F48 N24 O24 P8 U4 -","4","1","","Yuan, Li-Yong; Sun, Man; Mei, Lei; Wang, Lin; Zheng, Li-Rong; Gao, Zeng-Qiang; Zhang, Jing; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","New Insight of Coordination and Extraction of Uranium(VI) with N-Donating Ligands in Room Temperature Ionic Liquids: N,N'-Diethyl-N,N'-ditolyldipicolinamide as a Case Study.","Inorganic chemistry","2015","54","4","1992","1999","10.1021/ic502890w","","","0.71073","MoKα","","0.0441","0.0401","","","0.1062","0.1093","","","","","","1.044","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342314","9.8318","0.0014","10.1915","0.0012","11.5258","0.0014","108.248","0.009","102.053","0.009","101.989","0.009","1025.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Br Cu N4 O -","- C21 H24 Br Cu N4 O -","- C42 H48 Br2 Cu2 N8 O2 -","2","1","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0922","0.0483","","","0.1201","0.1503","","","","","","0.867","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342315","8.3336","0.0002","21.0561","0.0005","14.0166","0.0003","90","","100.04","0.001","90","","2421.87","0.1","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H30 Br Cu N4 O2 -","- C24 H30 Br Cu N4 O2 -","- C96 H120 Br4 Cu4 N16 O8 -","4","1","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0309","0.0245","","","0.0721","0.0792","","","","","","0.9","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342316","8.3019","0.0002","21.5474","0.0005","16.0245","0.0004","90","","104.688","0.002","90","","2772.86","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Br Cu N4 O3 -","- C27 H36 Br Cu N4 O3 -","- C108 H144 Br4 Cu4 N16 O12 -","4","1","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0719","0.0363","","","0.0941","0.1151","","","","","","0.612","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342317","15.2862","0.0004","9.7907","0.0002","16.3026","0.0004","90","","104.372","0.001","90","","2363.53","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br2 Cu N4 O -","- C21 H24 Br2 Cu N4 O -","- C84 H96 Br8 Cu4 N16 O4 -","4","1","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0356","0.0279","","","0.098","0.1053","","","","","","0.825","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342318","16.4808","0.0003","8.8546","0.0001","18.6534","0.0003","90","","98.448","0.001","90","","2692.57","0.07","150","","150","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H30 Br2 Cu N4 O2 -","- C24 H30 Br2 Cu N4 O2 -","- C96 H120 Br8 Cu4 N16 O8 -","4","2","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0658","0.0566","","","0.1677","0.1754","","","","","","1.059","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342319","14.8434","0.0004","16.5774","0.0005","17.2306","0.0005","115.218","0.002","111.733","0.002","94.596","0.002","3417.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Br2 Cu N4 O3 -","- C27 H36 Br2 Cu N4 O3 -","- C108 H144 Br8 Cu4 N16 O12 -","4","2","","Kaur, Aman; Ribelli, Thomas G.; Schröder, Kristin; Matyjaszewski, Krzysztof; Pintauer, Tomislav","Properties and ATRP Activity of Copper Complexes with Substituted Tris(2-pyridylmethyl)amine-Based Ligands.","Inorganic chemistry","2015","54","4","1474","1486","10.1021/ic502484s","","","0.71073","MoKα","","0.0486","0.0372","","","0.1216","0.1327","","","","","","0.955","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342320","14.1245","0.0011","14.4934","0.001","19.195","0.003","90","","110.953","0.008","90","","3669.6","0.7","100","2","100","2","","","","","","","dichloromethane, hexane","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cu F12 N12 P2 -","- C30 H24 Cu F12 N12 P2 -","- C120 H96 Cu4 F48 N48 P8 -","4","1","","Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.","Inorganic chemistry","2015","54","4","1300","1313","10.1021/ic502750u","","","0.71073","MoKα","","0.1081","0.0657","","","0.1484","0.1734","","","","","","1.059","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342321","9.9196","0.0013","22.4852","0.0014","16.444","0.002","90","","90","","90","","3667.7","0.7","100","2","100","2","","","","","","","Dichloromethane, Hexane","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu F12 N10 P2 -","- C30 H24 Cu F12 N10 P2 -","- C120 H96 Cu4 F48 N40 P8 -","4","0.5","","Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.","Inorganic chemistry","2015","54","4","1300","1313","10.1021/ic502750u","","","0.71073","MoKα","","0.1084","0.082","","","0.1881","0.2042","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342322","7.3353","0.0003","12.3442","0.0006","12.7166","0.0009","100.635","0.004","92.653","0.004","100.53","0.004","1108.81","0.11","100","2","100","2","","","","","","","dichloromethane, hexane","6","P -1","-P 1","2","","","","- C20 H16 Cu F6 N8 P -","- C20 H16 Cu F6 N8 P -","- C40 H32 Cu2 F12 N16 P2 -","2","1","","Maity, Suvendu; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta","Tris(2,2'-azobispyridine) Complexes of Copper(II): X-ray Structures, Reactivities, and the Radical Nonradical Bis(ligand) Analogues.","Inorganic chemistry","2015","54","4","1300","1313","10.1021/ic502750u","","","0.71073","MoKα","","0.0486","0.037","","","0.0923","0.0997","","","","","","1.048","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342323","18.05076","0.0001","11.58355","0.00006","14.95352","0.00007","90","","121.932","0.0004","90","","2653.53","0.03","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl Co Eu O6 -","- C8 H16 Cl Co Eu O6 -","- C64 H128 Cl8 Co8 Eu8 O48 -","8","1","","Basnayake, Sajani A.; Su, Jie; Zou, Xiadong; Balkus, Jr, Kenneth J","Carbonate-Based Zeolitic Imidazolate Framework for Highly Selective CO2 Capture.","Inorganic chemistry","2015","54","4","1816","1821","10.1021/ic5027174","powder diffraction","","0.666332","Synchrotron","","","","","","","","","6.0581","","","","","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342324","18.969","0.0015","8.8533","0.0007","7.9304","0.0007","90","","90","","90","","1331.82","0.19","200","2","200","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Al3 Ca2 Na11 Sb8 -","- Al3 Ca2 Na11 Sb8 -","- Al6 Ca4 Na22 Sb16 -","2","0.5","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0359","0.0288","","","0.0598","0.0625","","","","","","1.051","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342325","9.1513","0.0009","8.9852","0.0009","12.2305","0.0012","90","","97.84","0.001","90","","996.27","0.17","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ca Ga Na4 Sb3 -","- Ca Ga Na4 Sb3 -","- Ca4 Ga4 Na16 Sb12 -","4","2","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0232","0.021","","","0.0411","0.0421","","","","","","0.994","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342326","4.7609","0.0005","9.168","0.001","7.8898","0.0008","90","","90","","90","","344.37","0.06","200","2","200","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ca In1.67 Na5 Sb4 -","- Ca In1.66 Na5 Sb4 -","- Ca In1.66 Na5 Sb4 -","1","0.25","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0325","0.0301","","","0.0627","0.0637","","","","","","1.105","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342327","10.0121","0.0005","10.0121","0.0005","7.6045","0.0008","90","","90","","120","","660.16","0.08","200","2","200","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Al Ca3 Na3 Sb4 -","- Al Ca3 Na3 Sb4 -","- Al2 Ca6 Na6 Sb8 -","2","0.166667","","Wang, Yi; Stoyko, Stanislav; Bobev, Svilen","Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.","Inorganic chemistry","2015","54","4","1931","1939","10.1021/ic502822v","","","0.71073","MoKα","","0.0419","0.0307","","","0.0547","0.0572","","","","","","0.953","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342328","17.2607","0.0003","10.4781","0.0002","19.6314","0.0004","90","","95.164","0.001","90","","3536.11","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 N2 O19 V6 -","- C18 H50 N2 O19 V6 -","- C72 H200 N8 O76 V24 -","4","1","","Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen","Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.","Inorganic chemistry","2015","54","4","1454","1461","10.1021/ic502447b","","","0.71073","MoKα","","0.0491","0.0344","","","0.0848","0.0927","","","","","","1.067","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342329","15.949","0.004","24.934","0.006","13.822","0.003","90","","98.513","0.004","90","","5436","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 N6 O24 Pd2 V6 -","- C38 H58 N6 O24 Pd2 V6 -","- C152 H232 N24 O96 Pd8 V24 -","4","1","","Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen","Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.","Inorganic chemistry","2015","54","4","1454","1461","10.1021/ic502447b","","","0.71073","MoKα","","0.1552","0.0842","","","0.2286","0.2849","","","","","","1.044","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342330","10.7283","0.0008","11.9106","0.0006","13.1328","0.0009","86.49","0.005","73.385","0.006","78.023","0.005","1573.04","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H82 N8 O25 Pd2 V6 -","- C46 H82 N8 O25 Pd2 V6 -","- C46 H82 N8 O25 Pd2 V6 -","1","0.5","","Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen","Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.","Inorganic chemistry","2015","54","4","1454","1461","10.1021/ic502447b","","","0.71073","MoKα","","0.064","0.0502","","","0.138","0.1503","","","","","","1.057","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342331","10.594","0.002","10.709","0.002","12.472","0.003","89.615","0.007","75.262","0.007","84.946","0.007","1362.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 N6 O23 Pd2 V6 -","- C36 H50 N6 O23 Pd2 V6 -","- C36 H50 N6 O23 Pd2 V6 -","1","0.5","","Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen","Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.","Inorganic chemistry","2015","54","4","1454","1461","10.1021/ic502447b","","","0.71073","MoKα","","0.1172","0.0615","","","0.1474","0.1783","","","","","","1.008","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342332","10.686","0.004","10.79","0.004","12.571","0.005","89.876","0.007","75.108","0.006","85.398","0.007","1396","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 N6 O23 Pd2 V6 -","- C38 H56 N6 O23 Pd2 V6 -","- C38 H56 N6 O23 Pd2 V6 -","1","0.5","","Li, Ji-Kun; Huang, Xian-Qiang; Yang, Song; Ma, Hong-Wei; Chi, Ying-Nan; Hu, Chang-Wen","Four alkoxohexavanadate-based pd-polyoxovanadates as robust heterogeneous catalysts for oxidation of benzyl-alkanes.","Inorganic chemistry","2015","54","4","1454","1461","10.1021/ic502447b","","","0.71073","MoKα","","0.1171","0.0805","","","0.2246","0.2679","","","","","","1.053","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342333","24.995","0.003","13.8687","0.0017","16.1645","0.0019","90","","129.524","0.003","90","","4322.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Cl4 Fe2 N6 -","- C40 H42 Cl4 Fe2 N6 -","- C160 H168 Cl16 Fe8 N24 -","4","0.5","","Chatterjee, Sayanti; Paine, Tapan Kanti","Oxygenative aromatic ring cleavage of 2-aminophenol with dioxygen catalyzed by a nonheme iron complex: catalytic functional model of 2-aminophenol dioxygenases.","Inorganic chemistry","2015","54","4","1720","1727","10.1021/ic502658p","","","0.71073","MoKα","","0.0676","0.0503","","","0.144","0.153","","","","","","1.064","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342334","12.5007","0.0002","12.7914","0.0003","18.5855","0.0005","90","","98.5482","0.0009","90","","2938.83","0.12","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Mn N2 O13 -","- C28 H28 Mn N2 O13 -","- C112 H112 Mn4 N8 O52 -","4","1","","Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario","A new design strategy to access zwitterionic metal-organic frameworks from anionic viologen derivates.","Inorganic chemistry","2015","54","4","1756","1764","10.1021/ic5026813","","","0.71073","MoKα","","0.0909","0.0533","","","0.1362","0.1564","","","","","","1.016","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342335","12.3743","0.0007","12.862","0.0007","18.4671","0.001","90","","98.5756","0.0019","90","","2906.3","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 Ni O13 -","- C28 H28 N2 Ni O13 -","- C112 H112 N8 Ni4 O52 -","4","1","","Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario","A new design strategy to access zwitterionic metal-organic frameworks from anionic viologen derivates.","Inorganic chemistry","2015","54","4","1756","1764","10.1021/ic5026813","","","0.71073","MoKα","","0.0482","0.0389","","","0.1064","0.1122","","","","","","1.048","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342336","10.9107","0.0016","15.793","0.002","31.758","0.005","90","","90","","90","","5472.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H68.5 Cu2 N7 O15.75 -","- C46 H49 Cu2 N7 O15.75 -","- C184 H196 Cu8 N28 O63 -","4","1","","Jany, Thomas; Moreth, Alexander; Gruschka, Claudia; Sischka, Andy; Spiering, Andre; Dieding, Mareike; Wang, Ying; Samo, Susan Haji; Stammler, Anja; Bögge, Hartmut; Fischer von Mollard, Gabriele; Anselmetti, Dario; Glaser, Thorsten","Rational design of a cytotoxic dinuclear cu2 complex that binds by molecular recognition at two neighboring phosphates of the DNA backbone.","Inorganic chemistry","2015","54","6","2679","2690","10.1021/ic5028465","","","0.71073","MoKα","","0.0521","0.0436","","","0.1193","0.1243","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342337","8.0421","0.0005","16.7426","0.0012","17.833","0.0012","63.883","0.003","85.122","0.004","84.756","0.004","2144.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 Cu14 O94.3 -","- C30 H50 Cu14 O94.3 -","- C30 H50 Cu14 O94.3 -","1","0.5","","Gil-Hernández, Beatriz; Savvin, Stanislav; Makhloufi, Gamall; Núñez, Pedro; Janiak, Christoph; Sanchiz, Joaquín","Proton Conduction and Long-Range Ferrimagnetic Ordering in Two Isostructural Copper(II) Mesoxalate Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1597","1605","10.1021/ic502586a","","","0.71073","MoKα","","0.0344","0.0298","","","0.0775","0.0797","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342338","8.0421","0.0004","16.749","0.0007","17.859","0.0005","63.935","0.004","85.106","0.004","84.616","0.004","2148.75","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H45 Cu7 N O48 -","- C15 H43 Cu7 N O48 -","- C30 H86 Cu14 N2 O96 -","2","1","","Gil-Hernández, Beatriz; Savvin, Stanislav; Makhloufi, Gamall; Núñez, Pedro; Janiak, Christoph; Sanchiz, Joaquín","Proton Conduction and Long-Range Ferrimagnetic Ordering in Two Isostructural Copper(II) Mesoxalate Metal-Organic Frameworks.","Inorganic chemistry","2015","54","4","1597","1605","10.1021/ic502586a","","","1.54184","CuKα","","0.0538","0.0462","","","0.1177","0.1248","","","","","","1.027","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342339","9.771","0.003","9.771","0.003","12.896","0.007","90","","90","","120","","1066.3","0.7","567","2","567","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al F30 Na3 U6 -","- Al F30 Na3 U6 -","- Al2 F60 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0205","0.0188","","","0.0403","0.041","","","","","","1.217","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342340","9.8488","0.0001","9.8488","0.0001","12.9757","0.0003","90","","90","","120","","1090","0.03","294","2","294","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Ga Na3 U6 -","- F30 Ga Na3 U6 -","- F60 Ga2 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0212","0.0203","","","0.0518","0.0523","","","","","","1.192","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342341","9.8556","0.0003","9.8556","0.0003","12.9667","0.0008","90","","90","","120","","1090.75","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na3 Ti U6 -","- F30 Na3 Ti U6 -","- F60 Na6 Ti2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0335","0.0302","","","0.0703","0.0716","","","","","","1.201","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342342","9.8283","0.0004","9.8283","0.0004","12.9669","0.0011","90","","90","","120","","1084.73","0.11","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na3 U6 V -","- F30 Na3 U6 V -","- F60 Na6 U12 V2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.033","0.0296","","","0.0663","0.0676","","","","","","1.212","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342343","9.8324","0.0006","9.8324","0.0006","12.9676","0.0014","90","","90","","120","","1085.7","0.15","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cr F30 Na3 U6 -","- Cr F30 Na3 U6 -","- Cr2 F60 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0366","0.0298","","","0.0643","0.0666","","","","","","1.153","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342344","9.8351","0.0003","9.8351","0.0003","12.9869","0.001","90","","90","","120","","1087.91","0.1","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Fe Na3 U6 -","- F30 Fe Na3 U6 -","- F60 Fe2 Na6 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory; Zur Loye, Hans-Conrad","Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al(3+), Ga(3+), Ti(3+), V(3+), Cr(3+), Fe(3+)): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties.","Inorganic chemistry","2015","54","4","2058","2066","10.1021/ic503034t","","","0.71073","MoKα","","0.0415","0.0339","","","0.0708","0.0733","","","","","","1.131","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342345","11.6384","0.0018","21.052","0.004","24.247","0.004","114.959","0.008","102.95","0.009","92.406","0.009","5185.9","1.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Manganese sulfonyldibenzoates","","","- C64 H32 Mn4 N2 O26 S4 -","- C64 H32 Mn4 N2 O26 S4 -","- C128 H64 Mn8 N4 O52 S8 -","2","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.128","0.0761","","","0.2085","0.2283","","","","","","0.936","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342346","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C55 H55 Mn3 N3 O22 S3 -","- C55 H55 Mn3 N3 O22 S3 -","- C220 H220 Mn12 N12 O88 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0613","0.0513","","","0.1362","0.1434","","","","","","1.083","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342347","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C60 H47 Mn3 N3 O22 S3 -","- C60 H47 Mn3 N3 O22 S3 -","- C240 H188 Mn12 N12 O88 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0869","0.0678","","","0.181","0.1942","","","","","","1.056","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342348","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C56 H54 Mn3 N4 O21 S3 -","- C56 H54 Mn3 N4 O21 S3 -","- C224 H216 Mn12 N16 O84 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0766","0.0621","","","0.1762","0.188","","","","","","1.073","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342349","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C54 H44 Mn3 N3 O23 S3 -","- C54 H44 Mn3 N3 O23 S3 -","- C216 H176 Mn12 N12 O92 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0985","0.0725","","","0.2028","0.2256","","","","","","1.079","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342350","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C60 H46 Mn3 N3 O23 S3 -","- C60 H46 Mn3 N3 O23 S3 -","- C240 H184 Mn12 N12 O92 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0912","0.0729","","","0.194","0.2073","","","","","","1.043","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342351","16.7094","0.0003","20.2857","0.0004","17.1936","0.0003","90","","99.178","0.002","90","","5753.36","0.19","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C60 H38 Co Mn2 N3 O22 S3 -","- C60 H38 Co Mn2 N3 O22 S3 -","- C240 H152 Co4 Mn8 N12 O88 S12 -","4","1","","Bhattacharya, Saurav; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","High proton mobility, solvent induced single crystal to single crystal structural transformation, and related studies on a family of compounds formed from mn3 oxo-clusters.","Inorganic chemistry","2015","54","4","1254","1271","10.1021/ic5018517","","","0.71073","MoKα","","0.0925","0.0792","","","0.2241","0.2346","","","","","","1.038","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342352","5.46004","0.00001","6.61013","0.00002","5.27417","0.00001","90","","90","","90","","190.353","0.0008","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu Ga O2 -","- Cu Ga O2 -","- Cu4 Ga4 O8 -","4","1","","Nagatani, Hiraku; Suzuki, Issei; Kita, Masao; Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami; Miyoshi, Shogo; Yamaguchi, Shu; Omata, Takahisa","Structural and Thermal Properties of Ternary Narrow-Gap Oxide Semiconductor; Wurtzite-Derived β-CuGaO2.","Inorganic chemistry","2015","54","4","1698","1704","10.1021/ic502659e","powder diffraction","","0.65273","synchrotronradiation","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342353","6.6079","0.001","11.795","0.002","12.573","0.002","93.731","0.008","98","0.005","106.2","0.005","926.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H20 N22 O4 Zn -","- C4 H20 N22 O4 Zn -","- C8 H40 N44 O8 Zn2 -","2","1","","Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li","Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.","Inorganic chemistry","2015","54","4","2050","2057","10.1021/ic503021c","","","0.71073","MoKα","","0.0403","0.0346","","","0.0778","0.0809","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4342354","6.823","0.0016","12.498","0.003","13.2","0.004","116.252","0.006","98.777","0.016","94.803","0.012","983.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H20 N20 O7 Zn -","- C4 H20 N20 O7 Zn -","- C8 H40 N40 O14 Zn2 -","2","1","","Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li","Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.","Inorganic chemistry","2015","54","4","2050","2057","10.1021/ic503021c","","","0.71073","MoKα","","0.0394","0.0332","","","0.0728","0.0757","","","","","","1.048","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342355","6.9193","0.0014","12.658","0.002","13.355","0.003","116.736","0.005","96.264","0.012","95.254","0.009","1025.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 N26 O2 Zn -","- C6 H20 N26 O2 Zn -","- C12 H40 N52 O4 Zn2 -","2","1","","Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li","Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.","Inorganic chemistry","2015","54","4","2050","2057","10.1021/ic503021c","","","0.71073","MoKα","","0.0434","0.0384","","","0.0849","0.0879","","","","","","1.078","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4342356","6.9858","0.0017","11.793","0.003","13.372","0.003","91.435","0.003","98.948","0.004","95.001","0.005","1083.2","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H22 N28 O2 Zn -","- C6 H22 N28 O2 Zn -","- C12 H44 N56 O4 Zn2 -","2","1","","Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li","Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.","Inorganic chemistry","2015","54","4","2050","2057","10.1021/ic503021c","","","0.71073","MoKα","","0.0509","0.0431","","","0.0847","0.0891","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4342357","12.613","0.003","7.306","0.0017","13.188","0.003","90","","115.411","0.002","90","","1097.7","0.4","153","2","153","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C3 H11 N15 O0.5 Zn0.5 -","- C3 H11 N15 O0.5 Zn0.5 -","- C12 H44 N60 O2 Zn2 -","4","1","","Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li","Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.","Inorganic chemistry","2015","54","4","2050","2057","10.1021/ic503021c","","","0.71073","MoKα","","0.0428","0.0365","","","0.0919","0.0968","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4342358","15.8273","0.0008","14.4957","0.0008","23.3262","0.0013","90","","93.853","0.003","90","","5339.6","0.5","106","2","106","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 F9 N5 O11.5 Ru S3 -","- C9 H19 F9 N5 O11.5 Ru S3 -","- C72 H152 F72 N40 O92 Ru8 S24 -","8","2","","Souza, Maykon L.; Castellano, Eduardo E.; Telser, Joshua; Franco, Douglas W.","Secondary Coordination Sphere Effects in Ruthenium(III) Tetraammine Complexes: Role of the Coordinated Water Molecule.","Inorganic chemistry","2015","54","4","2067","2080","10.1021/ic5030857","","x-ray","0.71073","MoKα","","0.1069","0.0587","","","0.1434","0.1761","","","","","","1.007","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342359","13.8184","0.0005","14.769","0.0006","14.6665","0.0005","90","","111.515","0.002","90","","2784.64","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 F9 N5 O10 Ru S3 -","- C9 H23 F9 N5 O11 Ru S3 -","- C36 H92 F36 N20 O44 Ru4 S12 -","4","1","","Souza, Maykon L.; Castellano, Eduardo E.; Telser, Joshua; Franco, Douglas W.","Secondary Coordination Sphere Effects in Ruthenium(III) Tetraammine Complexes: Role of the Coordinated Water Molecule.","Inorganic chemistry","2015","54","4","2067","2080","10.1021/ic5030857","","x-ray","0.71073","MoKα","","0.0888","0.0695","","","0.195","0.2115","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342360","13.4901","0.0004","15.2385","0.0005","14.5227","0.0003","90","","115.082","0.002","90","","2703.9","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound X","","","- C9 H24 F9 N6 O10 Ru S3 -","- C9 H22 F9 N6 O10 Ru S3 -","- C36 H88 F36 N24 O40 Ru4 S12 -","4","1","","Souza, Maykon L.; Castellano, Eduardo E.; Telser, Joshua; Franco, Douglas W.","Secondary Coordination Sphere Effects in Ruthenium(III) Tetraammine Complexes: Role of the Coordinated Water Molecule.","Inorganic chemistry","2015","54","4","2067","2080","10.1021/ic5030857","","x-ray","0.71073","MoKα","","0.0718","0.0642","","","0.1816","0.1927","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342361","7.0025","0.0003","9.506","0.0004","10.9003","0.0005","90","","90","","90","","725.59","0.05","350","2","350","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0409","0.0343","","","0.0824","0.087","","","","","","0.996","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342362","6.9888","0.0002","9.4902","0.0002","10.8342","0.0003","90","","90","","90","","718.58","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0174","0.0166","","","0.0367","0.0371","","","","","","1.088","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342363","6.9949","0.0001","9.5029","0.0002","10.8457","0.0002","90","","90","","90","","720.93","0.02","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Cd N O6 -","- C3 H7 Cd N O6 -","- C12 H28 Cd4 N4 O24 -","4","1","","Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A","Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.","Inorganic chemistry","2015","54","5","2109","","10.1021/ic502218n","","","0.71073","MoKα","","0.0172","0.0162","","","0.0368","0.0374","","","","","","1.14","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342364","13.33","0.003","13.856","0.003","13.861","0.003","85.18","0.03","81.25","0.03","82.12","0.03","2501.2","1","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H128 Cl9 Cu9 N6 O4 P6 -","- C88 H128 Cl9 Cu9 N6 O4 P6 -","- C88 H128 Cl9 Cu9 N6 O4 P6 -","1","0.5","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","0.71073","MoKα","","0.2505","0.0997","","","0.17","0.2157","","","","","","0.902","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342365","8.894","0.0006","9.8683","0.0007","15.2708","0.0009","105.61","0.006","105.449","0.006","92.851","0.006","1233.53","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Br2 Cu2 N4 P4 -","- C48 H64 Br2 Cu2 N4 P4 -","- C48 H64 Br2 Cu2 N4 P4 -","1","0.5","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","1.54184","CuKα","","0.0309","0.0291","","","0.0759","0.0775","","","","","","1.066","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342366","23.865","0.002","10.2691","0.0005","20.6952","0.0015","90","","101.576","0.007","90","","4968.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Br2 Cu2 N4 P4 -","- C48 H64 Br2 Cu2 N4 P4 -","- C192 H256 Br8 Cu8 N16 P16 -","4","1","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","1.54184","CuKα","","0.0747","0.0446","","","0.0938","0.1061","","","","","","1.016","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342367","12.4305","0.0004","9.9886","0.0003","22.95","0.0007","90","","101.264","0.004","90","","2794.66","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Cl2 Cu2 N4 O2 P4 -","- C50 H72 Cl2 Cu2 N4 O2 P4 -","- C100 H144 Cl4 Cu4 N8 O4 P8 -","2","0.5","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","0.71073","MoKα","","0.0494","0.0337","","","0.0675","0.0727","","","","","","1.049","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342368","12.4268","0.0003","10.0538","0.0002","23.3797","0.0004","90","","103.166","0.003","90","","2844.2","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Br2 Cu2 N4 O2 P4 -","- C50 H72 Br2 Cu2 N4 O2 P4 -","- C100 H144 Br4 Cu4 N8 O4 P8 -","2","0.5","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","0.71073","MoKα","","0.0353","0.0278","","","0.0615","0.0642","","","","","","1.068","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342369","11.99","0.002","10.349","0.002","20.839","0.004","90","","101.49","0.03","90","","2534","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Br2 Cu2 N4 P4 -","- C48 H64 Br2 Cu2 N4 P4 -","- C96 H128 Br4 Cu4 N8 P8 -","2","0.5","","Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W.","π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes.","Inorganic chemistry","2015","54","5","2117","","10.1021/ic502367d","","","0.71073","MoKα","","0.131","0.0406","","","0.0745","0.1031","","","","","","0.934","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342370","8.358","0.0018","12.207","0.0009","13.146","0.003","72.886","0.017","81.607","0.016","86.142","0.013","1267.7","0.4","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C20 H20 Cl4 Fe K O2 S4 -","- C20 H20 Cl4 Fe K O2 S4 -","- C40 H40 Cl8 Fe2 K2 O4 S8 -","2","1","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","x-ray","0.71073","MoKα","","0.096","0.066","","","0.174","0.1833","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342371","8.3909","0.0005","12.2239","0.0006","13.3861","0.0006","73.062","0.004","81.438","0.004","86.627","0.005","1298.63","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Cl4 Fe O2 Rb S4 -","- C20 H20 Cl4 Fe O2 Rb S4 -","- C40 H40 Cl8 Fe2 O4 Rb2 S8 -","2","1","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","x-ray","0.71073","MoKα","","0.1031","0.054","","","0.1017","0.1212","","","","","","1.07","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342372","8.34","0.004","12.086","0.003","13.806","0.006","74.44","0.02","80.27","0.03","86.24","0.03","1321","0.9","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C20 H20 Cl4 Cs Fe O2 S4 -","- C20 H20 Cl4 Cs Fe O2 S4 -","- C40 H40 Cl8 Cs2 Fe2 O4 S8 -","2","1","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","x-ray","0.71073","MoKα","","0.1891","0.0816","","","0.1949","0.2508","","","","","","0.882","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342373","11.0978","0.0006","13.1869","0.0005","13.7014","0.0009","114.408","0.003","94.859","0.005","107.592","0.004","1689.04","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl4 Fe Li O4 S4 -","- C28 H36 Cl4 Fe Li O4 S4 -","- C56 H72 Cl8 Fe2 Li2 O8 S8 -","2","1","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","x-ray","0.71073","MoKα","","0.2011","0.0798","","","0.1528","0.1989","","","","","","1.163","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342374","27.0829","0.0013","9.1347","0.0005","22.853","0.0012","90","","103.735","0.002","90","","5492","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DH-80-1_LT","","","- C32 H24 Cl8 Fe2 Na2 O4 S8 -","- C32 H24 Cl8 Fe2 Na2 O4 S8 -","- C128 H96 Cl32 Fe8 Na8 O16 S32 -","4","0.5","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","","0.71073","","","0.11","0.0768","","","0.257","0.2886","","","","","","1","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4342375","9.2449","0.0007","12.206","0.0009","19.7913","0.0012","98.708","0.006","101.342","0.006","97.664","0.006","2133.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Cl8 Fe2 Na2 O4 S8 -","- C32 H24 Cl8 Fe2 Na2 O4 S8 -","- C64 H48 Cl16 Fe4 Na4 O8 S16 -","2","1","","Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix","Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.","Inorganic chemistry","2015","54","5","2243","","10.1021/ic502789v","","","0.71073","MoKα","","0.2212","0.1815","","","0.4515","0.4673","","","","","","1.249","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4342376","10.435","0.003","30.802","0.007","15.579","0.004","90","","104.357","0.006","90","","4851","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C90 H146 B20 Cl2 O2 P2 Rh2 -","- C90 H146 B20 Cl2 O2 P2 Rh2 -","- C180 H292 B40 Cl4 O4 P4 Rh4 -","2","1","","Lugo, Christopher A.; Moore, Curtis E.; Rheingold, Arnold L.; Lavallo, Vincent","Synthesis of a Hybrid m-Terphenyl/o-Carborane Building Block: Applications in Phosphine Ligand Design.","Inorganic chemistry","2015","54","5","2094","","10.1021/ic5030636","","","0.71073","MoKα","","0.1093","0.0606","","","0.1018","0.1166","","","","","","1.001","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342377","15.7053","0.0013","15.1729","0.0008","18.6678","0.0016","90","","92.505","0.007","90","","4444.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 B F20 P Si2 -","- C43 H28 B F20 P Si2 -","- C172 H112 B4 F80 P4 Si8 -","4","1","","Reißmann, Matti; Schäfer, André; Panisch, Robin; Schmidtmann, Marc; Bolte, Michael; Müller, Thomas","Cyclic Silylated Onium Ions of Group 15 Elements.","Inorganic chemistry","2015","54","5","2393","","10.1021/ic502968z","","","0.71073","MoKα","","0.0756","0.0596","","","0.1487","0.1587","","","","","","1.014","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342378","12.1228","0.0004","21.3999","0.0008","17.0156","0.0006","90","","91.43","0.002","90","","4412.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 B12 Cl16 P2 Si2 -","- C84 H84 B12 Cl16 P2 Si2 -","- C168 H168 B24 Cl32 P4 Si4 -","2","0.5","","Reißmann, Matti; Schäfer, André; Panisch, Robin; Schmidtmann, Marc; Bolte, Michael; Müller, Thomas","Cyclic Silylated Onium Ions of Group 15 Elements.","Inorganic chemistry","2015","54","5","2393","","10.1021/ic502968z","","","0.71073","MoKα","","0.0387","0.0281","","","0.0694","0.0745","","","","","","1.041","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342379","11.5931","0.0002","18.0521","0.0003","9.1948","0.0002","90","","114.457","0.001","90","","1751.62","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 O8 Th -","- C16 H8 O8 Th -","- C64 H32 O32 Th4 -","4","0.5","","Falaise, Clément; Charles, Jean-Sébastien; Volkringer, Christophe; Loiseau, Thierry","Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System.","Inorganic chemistry","2015","54","5","2235","","10.1021/ic502725y","","","0.71073","MoKα","","0.0173","0.0141","","","0.0376","0.0599","","","","","","1.303","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342380","10.1731","0.0004","32.8881","0.0014","10.3502","0.0005","90","","92.087","0.001","90","","3460.6","0.3","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 K N2 O7 Ta -","- C32 H56 K N2 O7 Ta -","- C128 H224 K4 N8 O28 Ta4 -","4","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71069","MoKα","","0.0484","0.0312","","","0.0507","0.0545","","","","","","1.031","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342381","11.139","0.005","9.791","0.005","22.628","0.009","90","","99.866","0.009","90","","2431.4","1.9","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 K O6 Ta -","- C22 H36 K O6 Ta -","- C88 H144 K4 O24 Ta4 -","4","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71069","MoKα","","0.0361","0.0267","","","0.0554","0.0581","","","","","","1.023","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342382","11.2395","0.0005","15.3764","0.0007","23.2419","0.0009","90","","90.4808","0.0009","90","","4016.6","0.3","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 K4 O2 Ta2 -","- C38 H50 K4 O2 Ta2 -","- C152 H200 K16 O8 Ta8 -","4","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71069","MoKα","","0.0381","0.0276","","","0.0549","0.0582","","","","","","1.036","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342383","11.821","0.005","11.84","0.005","12.775","0.005","71.661","0.009","83.878","0.009","60.513","0.009","1474.8","1.1","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 N2 Na O6 Ta -","- C28 H48 N2 Na O6 Ta -","- C56 H96 N4 Na2 O12 Ta2 -","2","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71073","MoKα","","0.0191","0.0177","","","0.0421","0.0427","","","","","","1.081","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342384","11.1777","0.0008","11.7214","0.0009","20.376","0.0015","90","","96.1801","0.0016","90","","2654.1","0.3","90","2","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 P2 Rh Ta -","- C25 H46 P2 Rh Ta -","- C100 H184 P8 Rh4 Ta4 -","4","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71069","MoKα","","0.028","0.0212","","","0.0403","0.0425","","","","","","1.037","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342385","9.339","0.002","31.978","0.008","10.782","0.003","90","","106.813","0.005","90","","3082.3","1.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H55 O P2 Ru Ta -","- C29 H55 O P2 Ru Ta -","- C116 H220 O4 P8 Ru4 Ta4 -","4","1","","Ostapowicz, Thomas G.; Fryzuk, Michael D.","Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.","Inorganic chemistry","2015","54","5","2357","","10.1021/ic502976r","","","0.71069","MoKα","","0.0621","0.048","","","0.0881","0.092","","","","","","1.139","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342386","7.9613","0.0003","8.248","0.0004","10.5309","0.0005","90","","100.861","0.001","90","","679.12","0.05","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Didysprosium heptagermanium zinc","","","- Dy2 Ge6 Zn0.5 -","- Dy2 Ge6 Zn0.5 -","- Dy8 Ge24 Zn2 -","4","1","","Solokha, Pavlo; De Negri, Serena; Proserpio, Davide M.; Blatov, Vladislav A.; Saccone, Adriana","Vacancy Ordering as a Driving Factor for Structural Changes in Ternary Germanides: The New R2Zn1-xGe6 Series of Polar Intermetallics (R = Rare-Earth Metal).","Inorganic chemistry","2015","54","5","2411","","10.1021/ic5030313","","","0.71073","MoKα","","0.0361","0.0268","","","0.0683","0.0742","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342387","18.5536","0.001","8.6768","0.0004","14.9938","0.0006","90","","90","","90","","2413.8","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl F6 Mn N5 P -","- C19 H33 Cl F6 Mn N5 P -","- C76 H132 Cl4 F24 Mn4 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0387","0.0337","","","0.0832","0.0848","","","","","","1.021","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342388","18.5989","0.0009","8.6434","0.0006","14.8745","0.0007","90","","90","","90","","2391.2","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl F6 Fe N5 P -","- C19 H33 Cl F6 Fe N5 P -","- C76 H132 Cl4 F24 Fe4 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.035","0.0263","","","0.0538","0.0551","","","","","","0.898","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342389","18.6711","0.0013","8.6259","0.001","14.8088","0.001","90","","90","","90","","2385","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl Co F6 N5 P -","- C19 H33 Cl Co F6 N5 P -","- C76 H132 Cl4 Co4 F24 N20 P4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0615","0.0329","","","0.0584","0.0637","","","","","","0.8","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342390","22.758","0.002","13.73","0.002","15.0185","0.0016","90","","93.047","0.008","90","","4686.2","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl F6 N5 Ni P -","- C19 H33 Cl F6 N5 Ni P -","- C152 H264 Cl8 F48 N40 Ni8 P8 -","8","2","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0867","0.0452","","","0.0976","0.1062","","","","","","0.829","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342391","10.5546","0.0006","13.2043","0.0011","18.6149","0.001","90","","98.149","0.005","90","","2568.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cu F12 N5 P2 -","- C19 H33 Cu F12 N5 P2 -","- C76 H132 Cu4 F48 N20 P8 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0921","0.0476","","","0.111","0.1265","","","","","","0.896","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342392","22.794","0.003","13.7535","0.0009","15.1489","0.0015","90","","93.512","0.009","90","","4740.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl F6 N5 P Zn -","- C19 H33 Cl F6 N5 P Zn -","- C152 H264 Cl8 F48 N40 P8 Zn8 -","8","2","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0866","0.0504","","","0.1084","0.1185","","","","","","0.798","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342393","8.105","0.0006","22.7534","0.0014","12.5612","0.001","90","","97.594","0.006","90","","2296.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Cl F6 N5 P Zn -","- C19 H33 Cl F6 N5 P Zn -","- C76 H132 Cl4 F24 N20 P4 Zn4 -","4","1","","Jones, Donald G.; Wilson, Kevin R.; Cannon-Smith, Desiray J; Shircliff, Anthony D.; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, Structural Studies, and Oxidation Catalysis of the Late-First-Row-Transition-Metal Complexes of a 2-Pyridylmethyl Pendant-Armed Ethylene Cross-Bridged Cyclam.","Inorganic chemistry","2015","54","5","2221","","10.1021/ic502699m","","","0.71073","MoKα","","0.0776","0.0553","","","0.1372","0.1451","","","","","","0.869","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342394","10.575","0.005","11.884","0.005","15.513","0.005","74.117","0.005","74.843","0.005","73.097","0.005","1758.7","1.3","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C32 H35 Fe2 Mo2 O9 P3 -","- C32 H35 Fe2 Mo2 O9 P3 -","- C64 H70 Fe4 Mo4 O18 P6 -","2","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","0.71073","MoKα","","0.0587","0.0412","","","0.0604","0.067","","","","","","1.069","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342395","9.7933","0.0004","16.7512","0.0005","12.9168","0.0004","90","","107.248","0.003","90","","2023.7","0.12","123","0.1","123","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 Mo2 O12 P3 W2 -","- C35 H35 Mo2 O12 P3 W2 -","- C70 H70 Mo4 O24 P6 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","1.54184","CuKα","","0.056","0.0529","","","0.1399","0.1441","","","","","","1.051","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342396","19.956","0.003","10.6471","0.0011","21.872","0.003","90","","117.684","0.01","90","","4115.2","1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H78 Mo4 O20 P6 W4 -","- C73 H78 Mo4 O20 P6 W4 -","- C146 H156 Mo8 O40 P12 W8 -","2","0.5","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","0.71073","MoKα","","0.017","0.0147","","","0.0304","0.031","","","","","","1.037","","","","has coordinates,has disorder","179526","2020-10-21","18:00:00",""
"4342397","14.6509","0.001","15.6537","0.001","21.1404","0.0012","90","","133.254","0.003","90","","3531.2","0.4","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Mn2 Mo2 O9 P3 -","- C32 H35 Mn2 Mo2 O9 P3 -","- C128 H140 Mn8 Mo8 O36 P12 -","4","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","0.71073","MoKα","","0.0639","0.036","","","0.058","0.065","","","","","","1.013","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342398","14.614","0.0007","15.6639","0.0008","21.4374","0.0009","90","","132.801","0.003","90","","3600.6","0.3","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Mo2 O9 P3 Re2 -","- C32 H35 Mo2 O9 P3 Re2 -","- C128 H140 Mo8 O36 P12 Re8 -","4","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","0.71073","MoKα","","0.0293","0.0215","","","0.0396","0.0416","","","","","","1.032","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342399","11.7503","0.0003","17.2964","0.0004","18.4643","0.0005","90","","118.712","0.002","90","","3291.24","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Co2 Mo2 O7 P3 -","- C30 H35 Co2 Mo2 O7 P3 -","- C120 H140 Co8 Mo8 O28 P12 -","4","1","","Alvarez, M. Angeles; García, M Esther; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Tetranuclear Phosphide- and Phosphinidene-Bridged Derivatives of the Diphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2].","Inorganic chemistry","2015","54","5","2455","","10.1021/ic503076x","","x-ray","1.54184","CuKα","","0.04","0.0342","","","0.086","0.091","","","","","","1.024","","","","has coordinates","179526","2020-10-21","18:00:00",""
"4342400","6.9399","0.0004","5.7694","0.0002","22.96","0.0017","90","","92.558","0.006","90","","918.38","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Ag3 O5 P -","- C7 H4 Ag3 O5 P -","- C28 H16 Ag12 O20 P4 -","4","1","","Rueff, Jean-Michel; Perez, Olivier; Caignaert, Vincent; Hix, Gary; Berchel, Mathieu; Quentel, François; Jaffrès, Paul-Alain","Silver-Based Hybrid Materials from meta- or para-Phosphonobenzoic Acid: Influence of the Topology on Silver Release in Water.","Inorganic chemistry","2015","54","5","2152","","10.1021/ic502395s","","x-ray","0.71069","MoKα","","0.0881","0.0403","","","0.0416","0.0471","","","","1.63","1.63","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342401","25.328","0.0018","15.1696","0.0011","19.7982","0.0014","90","","95.052","0.001","90","","7577.2","0.9","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sm@C2v(9)-C82/NiOEP/0.87(bz)0.13(CF)","","","- C123.3 H49.3 Cl0.42 N4 Ni Sm -","- C123.473 H49.472 Cl0.396 N4 Ni Sm1.002 -","- C493.891 H197.888 Cl1.584 N16 Ni4 Sm4.008 -","4","0.5","","Hu, Ziqi; Hao, Yajuan; Slanina, Zdeněk; Gu, Zhenggen; Shi, Zujin; Uhlík, Filip; Zhao, Yunfeng; Feng, Lai","Popular C82 Fullerene Cage Encapsulating a Divalent Metal Ion Sm(2+): Structure and Electrochemistry.","Inorganic chemistry","2015","54","5","2103","","10.1021/ic5021884","","","0.71073","MoKα","","0.1278","0.1177","","","0.3804","0.3966","","","","","","1.909","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342402","6.3073","0.0007","9.9279","0.0008","6.7219","0.0006","90","","104.26","0.01","90","","407.94","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Na2 O10 Te Y2 -","- B2 Na2 O10 Te Y2 -","- B4 Na4 O20 Te2 Y4 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.032","0.0294","","","0.0686","0.0704","","","","","","1.03","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342403","6.3089","0.0005","9.9808","0.0007","6.7489","0.0006","90","","104.394","0.008","90","","411.62","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Er2 Na2 O10 Te -","- B2 Dy2 Na2 O10 Te -","- B4 Dy4 Na4 O20 Te2 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0423","0.0359","","","0.0834","0.0896","","","","","","1.041","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342404","6.306","0.0005","9.936","0.0007","6.7339","0.0006","90","","104.23","0.008","90","","408.98","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ho2 Na2 O10 Te -","- B2 Ho2 Na2 O10 Te -","- B4 Ho4 Na4 O20 Te2 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0354","0.0278","","","0.0551","0.0611","","","","","","1.037","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342405","6.2964","0.0005","9.9056","0.0007","6.7089","0.0006","90","","104.11","0.008","90","","405.81","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Er2 Na2 O10 Te -","- B2 Er2 Na2 O10 Te -","- B4 Er4 Na4 O20 Te2 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0337","0.0273","","","0.057","0.0612","","","","","","0.992","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342406","6.2801","0.0004","9.8594","0.0006","6.6918","0.0004","90","","104.085","0.006","90","","401.89","0.04","293","2","293.4","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Na2 O10 Te Tm2 -","- B2 Na2 O10 Te Tm2 -","- B4 Na4 O20 Te2 Tm4 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0285","0.0221","","","0.0425","0.0452","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342407","6.2631","0.0006","9.8269","0.0009","6.6741","0.0007","90","","103.972","0.01","90","","398.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Na2 O10 Te Yb2 -","- B2 Na2 O10 Te Yb2 -","- B4 Na4 O20 Te2 Yb4 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0477","0.0373","","","0.0828","0.0911","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342408","6.2588","0.0005","9.7998","0.0008","6.6539","0.0005","90","","103.714","0.007","90","","396.48","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 Lu2 Na2 O10 Te -","- B2 Lu2 Na2 O10 Te -","- B4 Lu4 Na4 O20 Te2 -","2","0.5","","Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.","Inorganic chemistry","2015","54","5","2447","","10.1021/ic503068s","","","0.71073","MoKα","","0.0373","0.0313","","","0.0731","0.0785","","","","","","1.064","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342409","11.0189","0.0003","11.37","0.0004","24.4255","0.0004","84.4027","0.0019","86.0777","0.0018","76.756","0.003","2961.2","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H82 N3 O4 P2 Sc -","- C62 H82 N3 O4 P2 Sc -","- C124 H164 N6 O8 P4 Sc2 -","2","1","","Bakewell, Clare; White, Andrew J. P.; Long, Nicholas J.; Williams, Charlotte K.","Scandium and Yttrium Phosphasalen Complexes as Initiators for Ring-Opening Polymerization of Cyclic Esters.","Inorganic chemistry","2015","54","5","2204","","10.1021/ic5027015","","","1.54184","CuKα","","0.0482","0.0457","","","0.1272","0.1299","","","","","","1.047","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342410","20.163","0.0005","11.4232","0.0004","42.0819","0.0012","90","","91.109","0.002","90","","9690.7","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N3 O5 P2 Sc -","- C52 H62 N3 O5 P2 Sc -","- C416 H496 N24 O40 P16 Sc8 -","8","2","","Bakewell, Clare; White, Andrew J. P.; Long, Nicholas J.; Williams, Charlotte K.","Scandium and Yttrium Phosphasalen Complexes as Initiators for Ring-Opening Polymerization of Cyclic Esters.","Inorganic chemistry","2015","54","5","2204","","10.1021/ic5027015","","","1.54184","CuKα","","0.0812","0.0693","","","0.1715","0.1786","","","","","","1.147","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342411","10.9635","0.0003","18.345","0.0005","29.5411","0.0007","90","","90","","90","","5941.5","0.3","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H82 N3 O6 P2 Y -","- C62 H82 N3 O6 P2 Y -","- C248 H328 N12 O24 P8 Y4 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Long, Nicholas J.; Williams, Charlotte K.","Scandium and Yttrium Phosphasalen Complexes as Initiators for Ring-Opening Polymerization of Cyclic Esters.","Inorganic chemistry","2015","54","5","2204","","10.1021/ic5027015","","","0.71073","MoKα","","0.0545","0.0432","","","0.0986","0.1051","","","","","","1.038","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342412","8.143","0.0006","9.5075","0.0007","13.1111","0.001","79.967","0.001","73.074","0.001","78.093","0.001","943.1","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Cu N O11 S -","- C17 H15 Cu N O11 S -","- C34 H30 Cu2 N2 O22 S2 -","2","1","","Feng, Xun; Xu, Chen; Wang, Zhi-Qiang; Tang, Si-Fu; Fu, Wei-Jun; Ji, Bao-Ming; Wang, Li-Ya","Aerobic Oxidation of Alcohols and the Synthesis of Benzoxazoles Catalyzed by a Cuprocupric Coordination Polymer (Cu(+)-CP) Assisted by TEMPO.","Inorganic chemistry","2015","54","5","2088","","10.1021/ic502884z","","","0.71073","MoKα","","0.0552","0.0499","","","0.1644","0.1712","","","","","","1.038","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342413","10.8222","0.0011","11.0221","0.0011","12.8735","0.0012","88.851","0.002","77.519","0.002","84.557","0.002","1492.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Cu4 N10 O20 S2 -","- C64 H50 Cu4 N8 O20 S2 -","- C64 H50 Cu4 N8 O20 S2 -","1","0.5","","Feng, Xun; Xu, Chen; Wang, Zhi-Qiang; Tang, Si-Fu; Fu, Wei-Jun; Ji, Bao-Ming; Wang, Li-Ya","Aerobic Oxidation of Alcohols and the Synthesis of Benzoxazoles Catalyzed by a Cuprocupric Coordination Polymer (Cu(+)-CP) Assisted by TEMPO.","Inorganic chemistry","2015","54","5","2088","","10.1021/ic502884z","","","0.71073","MoKα","","0.0881","0.0504","","","0.1205","0.1365","","","","","","1.037","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342414","11.287","0.01","14.38","0.013","18.206","0.016","90","","90","","90","","2955","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","","Feng, Xun; Xu, Chen; Wang, Zhi-Qiang; Tang, Si-Fu; Fu, Wei-Jun; Ji, Bao-Ming; Wang, Li-Ya","Aerobic Oxidation of Alcohols and the Synthesis of Benzoxazoles Catalyzed by a Cuprocupric Coordination Polymer (Cu(+)-CP) Assisted by TEMPO.","Inorganic chemistry","2015","54","5","2088","","10.1021/ic502884z","","","0.71073","MoKα","","0.0502","0.0347","","","0.0935","0.1015","","","","","","1.035","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342415","12.7476","0.0004","5.4562","0.0002","7.8332","0.0002","90","","90","","90","","544.83","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ni O6 Pb Se2 -","- Ni O6 Pb Se2 -","- Ni4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0165","0.0139","","","0.036","0.0387","","","","","","1.09","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342416","12.8208","0.0004","5.4902","0.0002","7.9085","0.0002","90","","90","","90","","556.67","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co O6 Pb Se2 -","- Co O6 Pb Se2 -","- Co4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0203","0.0186","","","0.0429","0.0439","","","","","","1.142","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342417","13.6824","0.001","5.2692","0.0005","19.3476","0.0013","90","","129.524","0.004","90","","1075.95","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- H2 Ni2 O12 Pb Se4 -","- H2 Ni2 O12 Pb Se4 -","- H8 Ni8 O48 Pb4 Se16 -","4","1","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0783","0.0496","","","0.0992","0.1104","","","","","","1.187","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342418","5.4715","0.0004","9.1963","0.0006","11.4436","0.0009","90","","90","","90","","575.81","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ni O6 Pb Se2 -","- Ni O6 Pb Se2 -","- Ni4 O24 Pb4 Se8 -","4","0.5","","Kovrugin, Vadim M.; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I.; Krivovichev, Sergey V.; Mentré, Olivier","pH Controlled Pathway and Systematic Hydrothermal Phase Diagram for Elaboration of Synthetic Lead Nickel Selenites.","Inorganic chemistry","2015","54","5","2425","","10.1021/ic503055v","","","0.71073","MoKα","","0.0142","0.0141","","","0.0346","0.0346","","","","","","1.109","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342419","14.706","0.003","14.367","0.003","15.697","0.003","90","","104.685","0.004","90","","3208.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 F3 Ir N2 O6 S3 -","- C32 H30 F3 Ir N2 O6 S3 -","- C128 H120 F12 Ir4 N8 O24 S12 -","4","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0424","0.0341","","","0.0837","0.0923","","","","","","1.103","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342420","13.214","0.011","13.935","0.011","19.374","0.016","94.876","0.017","102.427","0.016","115.538","0.015","3079","4","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C66 H52 Au2 Cl2 F3 Ir N2 O3 P2 S3 -","- C66 H52 Au2 Cl2 F3 Ir N2 O3 P2 S3 -","- C132 H104 Au4 Cl4 F6 Ir2 N4 O6 P4 S6 -","2","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0366","0.0322","","","0.078","0.08","","","","","","1.031","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342421","8.695","0.009","21.37","0.02","13.006","0.013","90","","93.16","0.02","90","","2413","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Ir N2 O2 S2 -","- C29 H23 Ir N2 O2 S2 -","- C116 H92 Ir4 N8 O8 S8 -","4","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0512","0.0425","","","0.0978","0.1016","","","","","","1.074","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342422","9.2232","0.0005","11.7387","0.0006","22.4883","0.0013","90","","90","","90","","2434.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Ir N2 S2 -","- C29 H23 Ir N2 S2 -","- C116 H92 Ir4 N8 S8 -","4","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0258","0.0201","","","0.0369","0.0381","","","","","","1.027","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342423","16.4463","0.0017","14.6413","0.0016","17.6882","0.0018","90","","116.593","0.002","90","","3808.6","0.7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Au F3 Ir N2 O3 P S3 -","- C36 H38 Au F3 Ir N2 O3 P S3 -","- C144 H152 Au4 F12 Ir4 N8 O12 P4 S12 -","4","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0347","0.031","","","0.079","0.0807","","","","","","1.074","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342424","8.4194","0.0004","14.845","0.0006","13.0152","0.0006","90","","92.45","0.001","90","","1625.23","0.13","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H29 F3 Ir N3 O3 S3 -","- C33 H29 F3 Ir N3 O3 S3 -","- C66 H58 F6 Ir2 N6 O6 S6 -","2","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0139","0.0136","","","0.0484","0.0487","","","","","","1.115","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342425","13.349","0.003","24.04","0.005","20.339","0.004","90","","97.69","0.03","90","","6468","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 B F24 N2 O4 P2 Ru -","- C59 H65 B F24 N2 O4 P2 Ru -","- C236 H260 B4 F96 N8 O16 P8 Ru4 -","4","1","","Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.","Inorganic chemistry","2015","54","5","2253","","10.1021/ic502832j","","","0.71073","MoKα","","0.0936","0.0646","","","0.1714","0.1921","","","","","","1.058","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342426","11.2882","0.0007","16.0651","0.0011","28.3117","0.0018","90","","90","","90","","5134.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H42 N2 O3 P2 Ru -","- C23 H42 N2 O3 P2 Ru -","- C184 H336 N16 O24 P16 Ru8 -","8","1","","Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.","Inorganic chemistry","2015","54","5","2253","","10.1021/ic502832j","","","0.71073","MoKα","","0.0572","0.0365","","","0.0778","0.0884","","","","","","1.102","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342427","25.6471","0.001","25.6471","0.001","25.6471","0.001","90","","90","","90","","16870","1.1","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C624 H1056 N48 O48 P48 Ru24 -","- C624 H1056 N48 O48 P48 Ru24 -","- C624 H1056 N48 O48 P48 Ru24 -","1","0.0416667","","Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.","Inorganic chemistry","2015","54","5","2253","","10.1021/ic502832j","","","0.71073","MoKα","","0.045","0.0294","","","0.0659","0.0766","","","","","","1.174","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4342428","5.6062","0.0001","13.071","0.0003","25.3361","0.0005","90","","90","","90","","1856.59","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N4 S2 -","- C21 H16 N4 S2 -","- C84 H64 N16 S8 -","4","1","","Müller, Christoph; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Concept for Enhancement of the Stability of Calcium-Bound Pyrazolyl-Substituted Methanides","Inorganic Chemistry","2015","","","150219085646005","","10.1021/acs.inorgchem.5b00064","","","0.71073","MoKα","","0.0385","0.0355","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342429","10.6273","0.0001","18.4106","0.0002","18.7911","0.0002","90","","95.778","0.001","90","","3657.89","0.07","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Ca N5 O2 S2 Si2 -","- C31 H43 Ca N5 O2 S2 Si2 -","- C124 H172 Ca4 N20 O8 S8 Si8 -","4","1","","Müller, Christoph; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Concept for Enhancement of the Stability of Calcium-Bound Pyrazolyl-Substituted Methanides","Inorganic Chemistry","2015","","","150219085646005","","10.1021/acs.inorgchem.5b00064","","","0.71073","MoKα","","0.0411","0.0351","","","0.0808","0.0844","","","","","","1.05","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342430","8.6463","0.0008","10.5753","0.0011","11.8312","0.001","87.512","0.005","78.942","0.005","81.061","0.004","1048.73","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 P Te -","- C24 H27 P Te -","- C48 H54 P2 Te2 -","2","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0209","","","","0.0454","","","","","","0.971","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342431","25.365","0.003","11.5214","0.0013","17.6915","0.0019","90","","93.517","0.008","90","","5160.4","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 O P Te -","- C28 H29 O P Te -","- C224 H232 O8 P8 Te8 -","8","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0382","","","","0.0789","","","","","","1.093","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342432","12.1171","0.0013","13.884","0.0015","15.8702","0.0018","90","","100.467","0.002","90","","2625.5","0.5","93","","93","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H31 Cl2 P Te -","- C29 H31 Cl2 P Te -","- C116 H124 Cl8 P4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0687","","","","0.1971","","","","","","1.206","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342433","9.03","0.003","12.06","0.004","13.39","0.004","105","0.009","97","0.01","92","0.011","1394.6","0.8","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 O0.5 P Te -","- C29 H33 O0.5 P Te -","- C58 H66 O P2 Te2 -","2","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.036","","","","0.1079","","","","","","1.154","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342434","12.048","0.003","8.8178","0.0011","24.867","0.005","90","","98.638","0.018","90","","2611.8","0.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 P Te -","- C33 H29 P Te -","- C132 H116 P4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71073","MoKα","","0.0568","0.0414","","","0.0867","0.0923","","","","","","1.129","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342435","10.7116","0.0014","26.482","0.003","11.7583","0.0015","90","","116.705","0.003","90","","2979.6","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 P Te -","- C33 H45 P Te -","- C132 H180 P4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0275","","","","0.0707","","","","","","1.043","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342436","8.002","0.0006","12.5836","0.001","25.0953","0.0019","90","","91.151","0.0019","90","","2526.4","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 P S Te -","- C27 H33 P S Te -","- C108 H132 P4 S4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0247","","","","0.0682","","","","","","1.062","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342437","8.514","0.002","12.441","0.004","15.166","0.005","74.64","0.02","85.15","0.02","71.93","0.02","1472.6","0.8","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H30 Cl P S Te -","- C33.5 H30 Cl P S Te -","- C67 H60 Cl2 P2 S2 Te2 -","2","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71073","MoKα","","0.0457","0.0394","","","0.1048","0.1084","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342438","7.9956","0.0006","12.6552","0.001","25.191","0.0018","90","","91.6","0.002","90","","2548","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 P Se Te -","- C27 H33 P Se Te -","- C108 H132 P4 Se4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0224","","","","0.0584","","","","","","1.015","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342439","12.718","0.004","16.843","0.006","16.874","0.006","65.06","0.03","68.53","0.01","68.94","0.02","2958.7","1.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H30 Cl P Se Te -","- C33.5 H30 Cl P Se Te -","- C134 H120 Cl4 P4 Se4 Te4 -","4","2","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71073","MoKα","","0.063","0.0494","","","0.1225","0.1294","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342440","11.107","0.0008","21.4081","0.0016","14.2556","0.001","90","","92.1678","0.0017","90","","3387.3","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 Cl6 P Pt Te -","- C29 H37 Cl6 P Pt Te -","- C116 H148 Cl24 P4 Pt4 Te4 -","4","1","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0163","","","","0.0401","","","","","","1.02","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342441","11.816","0.001","15.691","0.0017","16.4486","0.0016","87.835","0.006","73.923","0.006","82.403","0.006","2904.7","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Au Br P Te -","- C27 H33 Au Br P Te -","- C108 H132 Au4 Br4 P4 Te4 -","4","2","","Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek","Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.","Inorganic chemistry","2015","54","5","2435","","10.1021/ic503056z","","","0.71075","MoKα","","","0.0699","","","","0.1874","","","","","","0.987","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342442","44.168","0.007","10.2692","0.0015","27.496","0.004","90","","92.779","0.009","90","","12457","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H66 Cl2 N8 O5 P2 Rh2 -","- C63 H64 Cl2 N8 O5 P2 Rh2 -","- C504 H512 Cl16 N64 O40 P16 Rh16 -","8","1","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.7107","MoKα","","0.1987","0.1109","","","0.1963","0.2344","","","","","","1.128","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342443","8.415","0.003","43.04","0.012","16.659","0.005","90","","102.833","0.007","90","","5883","3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H32 Cl2 N8 O5 Rh2 -","- C22 H30 Cl2 N8 O5 Rh2 -","- C176 H240 Cl16 N64 O40 Rh16 -","8","2","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.71075","MoKα","","0.1194","0.1065","","","0.2663","0.2776","","","","","","1.049","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342444","14.619","0.0002","18.0709","0.0003","21.7988","0.0004","98.552","0.0006","97.2913","0.0007","110.913","0.0011","5217.63","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H54 N8 O4 P2 Rh2 -","- C56 H54 N8 O4 P2 Rh2 -","- C224 H216 N32 O16 P8 Rh8 -","4","2","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.6889","","","0.0986","0.079","","","0.1968","0.2092","","","","","","1.064","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342445","32.518","0.01","41.503","0.013","8.457","0.003","90","","90","","90","","11414","6","293.15","","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H28 Cl2 N8 O5 Rh2 -","- C20 H26 Cl2 N8 O5 Rh2 -","- C320 H416 Cl32 N128 O80 Rh32 -","16","1","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","0.71069","MoKα","","0.0892","0.0637","","","0.1398","0.1544","","","","","","1.073","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342446","14.7481","0.0002","42.9551","0.0008","18.1613","0.0003","90","","111.317","0.0008","90","","10718.1","0.3","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 N8 O4 P2 Rh2 -","- C58 H58 N8 O4 P2 Rh2 -","- C464 H464 N64 O32 P16 Rh16 -","8","1","","Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro","Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.","Inorganic chemistry","2015","54","5","2331","","10.1021/ic502953b","","","1.00002","","","0.071","0.0553","","","0.1424","0.1562","","","","","","1.046","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342447","12.9766","0.0005","18.2347","0.0007","23.2723","0.0008","90","","102.958","0.0013","90","","5366.6","0.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B Cl2 N2 O3 P2 Ru -","- C56 H63 B Cl2 N2 O3 P2 Ru -","- C224 H252 B4 Cl8 N8 O12 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Botter, Alessandra; Castro, Jesús","Hydrolysis of Coordinated Diazoalkanes To Yield Side-On 1,2-Diazene Derivatives.","Inorganic chemistry","2015","54","5","2091","","10.1021/ic502963n","","","1.54178","CuKα","","0.0635","0.0535","","","0.1483","0.1576","","","","","","1.054","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342448","8.816","0.005","16.253","0.01","17.647","0.01","90","","90","","90","","2529","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Δ-Bis{(R)-N-(1-phenylethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C120 H112 Cu4 N8 O8 -","4","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0677","0.0403","","","0.0815","0.0925","","","","","","1.059","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342449","25.4616","0.0014","11.4944","0.0005","9.9551","0.0005","90","","112.315","0.004","90","","2695.3","0.2","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Δ-Bis{(R)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Cl4 Cu2 N4 O4 -","- C60 H52 Cl4 Cu2 N4 O4 -","- C120 H104 Cl8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0747","0.0452","","","0.0829","0.0933","","","","","","1.045","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342450","25.576","0.005","11.496","0.002","10.0391","0.0017","90","","111.776","0.013","90","","2741.1","0.9","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Δ-Bis{(R)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Br4 Cu2 N4 O4 -","- C60 H52 Br4 Cu2 N4 O4 -","- C120 H104 Br8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.1296","0.0625","","","0.1322","0.1567","","","","","","1.016","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342451","8.7591","0.0013","9.5875","0.0014","16.352","0.002","90","","90.586","0.002","90","","1373.1","0.3","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-Bis{(R)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C32 H32 Cu N2 O4 -","- C32 H32 Cu N2 O4 -","- C64 H64 Cu2 N4 O8 -","2","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0311","0.0249","","","0.0465","0.0479","","","","","","0.884","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342452","8.8232","0.0018","16.287","0.003","17.655","0.004","90","","90","","90","","2537.1","0.9","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(S)-N-(1-phenylethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C120 H112 Cu4 N8 O8 -","4","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0321","0.0267","","","0.0612","0.0633","","","","","","1.04","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342453","25.4474","0.0009","11.4921","0.0004","9.9626","0.0004","90","","112.258","0.001","90","","2696.41","0.17","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","Λ-Bis{(S)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Cl4 Cu2 N4 O4 -","- C60 H52 Cl4 Cu2 N4 O4 -","- C120 H104 Cl8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.041","0.0305","","","0.0586","0.0621","","","","","","1.005","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342454","25.442","0.003","11.4723","0.0012","9.9846","0.001","90","","111.797","0.002","90","","2705.9","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Λ-Bis{(S)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C60 H52 Br4 Cu2 N4 O4 -","- C60 H52 Br4 Cu2 N4 O4 -","- C120 H104 Br8 Cu4 N8 O8 -","2","0.5","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0336","0.0298","","","0.0705","0.0718","","","","","","1.026","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342455","8.7218","0.0017","9.557","0.002","16.323","0.003","90","","90.428","0.015","90","","1360.6","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-Bis{(S)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C32 H32 Cu N2 O4 -","- C32 H32 Cu N2 O4 -","- C64 H64 Cu2 N4 O8 -","2","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.1147","0.0674","","","0.1476","0.1707","","","","","","1.04","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342456","4.3466","0.0002","7.9237","0.0004","22.146","0.0009","90","","94.922","0.002","90","","759.92","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 O10 Se3 -","- B2 O10 Se3 -","- B8 O40 Se12 -","4","1","","Daub, Michael; Scherer, Harald; Hillebrecht, Harald","Synthesis, Crystal Structure, and Spectroscopy of the Mixed-Valent Boroseleniteselenate B2Se3O10.","Inorganic chemistry","2015","54","5","2325","","10.1021/ic502916j","","","0.71073","Mo_Kα","","0.0427","0.0361","","","0.0915","0.0965","","","","","","1.28","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342457","19.348","0.002","21.1104","0.0019","19.8221","0.0019","90","","90","","90","","8096.2","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H66 Cu6 N8 O43 -","- C36 H24 Cu6 N4 O33 -","- C144 H96 Cu24 N16 O132 -","4","0.5","","Zhang, Shi-Yuan; Zhang, Xiaoping; Li, Huimin; Niu, Zheng; Shi, Wei; Cheng, Peng","Dual-Functionalized Metal-Organic Frameworks Constructed from Hexatopic Ligand for Selective CO2 Adsorption.","Inorganic chemistry","2015","54","5","2310","","10.1021/ic502921j","","","0.71073","MoKα","","0.0765","0.0528","","","0.1199","0.1231","","","","","","1.039","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342458","29.303","0.003","16.8527","0.0008","26.7132","0.0017","90","","105.027","0.008","90","","12740.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H66.5 Cu6 N7.5 O44.5 -","- C36 H24 Cu6 N4 O34 -","- C288 H192 Cu48 N32 O272 -","8","1","","Zhang, Shi-Yuan; Zhang, Xiaoping; Li, Huimin; Niu, Zheng; Shi, Wei; Cheng, Peng","Dual-Functionalized Metal-Organic Frameworks Constructed from Hexatopic Ligand for Selective CO2 Adsorption.","Inorganic chemistry","2015","54","5","2310","","10.1021/ic502921j","","","0.71073","MoKα","","0.0884","0.0681","","","0.1705","0.178","","","","","","0.917","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342459","14.483","0.001","27.83","0.002","21.466","0.001","90","","91.513","0.01","90","","8649.1","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C121.26 H11.58 F54 -","- C121.26 H11.575 F54 -","- C485.04 H46.3 F216 -","4","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.88561","synchrotron","","0.1036","0.0573","","","0.1315","0.1464","","","","","","1.025","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342460","19.196","0.001","16.52","0.001","40.749","0.003","90","","90","","90","","12922.2","1.4","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C94 Cl20 -","- C94 Cl20 -","- C752 Cl160 -","8","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.905","synchrotron","","0.0779","0.0574","","","0.137","0.1455","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342461","12.404","0.001","22.166","0.001","20.763","0.001","90","","93.37","0.01","90","","5698.9","0.6","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C94 Cl14 -","- C94 Cl14 -","- C376 Cl56 -","4","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.905","synchrotron","","0.2169","0.0752","","","0.1395","0.1641","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342462","35.685","0.003","20.281","0.001","21.358","0.002","90","","122.417","0.009","90","","13049","2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C94 Cl21.67 -","- C94 Cl21.666 -","- C752 Cl173.328 -","8","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.88561","synchrotron","","0.0691","0.0476","","","0.116","0.1259","","","","","","1.007","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342463","14.427","0.001","22.37","0.001","26.087","0.002","90","","103.584","0.01","90","","8183.6","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C116 H14 F48 -","- C116 H14 F48 -","- C464 H56 F192 -","4","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.87313","synchrotron","","0.1245","0.0754","","","0.1763","0.1938","","","","","","1.01","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342464","12.5997","0.0002","12.5997","0.0002","15.6063","0.0002","90","","90","","120","","2145.61","0.06","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba4 Se6 U -","- Ba4 Se6 U -","- Ba24 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0168","0.0143","","","0.0301","0.0306","","","","","","1.245","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342465","12.4842","0.001","12.4842","0.001","13.9258","0.0011","90","","90","","120","","1879.6","0.3","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe Se6 U -","- Ba3 Fe Se6 U -","- Ba18 Fe6 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0161","0.0144","","","0.0276","0.0281","","","","","","1.163","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342466","12.4561","0.0002","12.4561","0.0002","14.1354","0.0003","90","","90","","120","","1899.34","0.06","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Mn Se6 U -","- Ba3 Mn Se6 U -","- Ba18 Mn6 Se36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0177","0.0148","","","0.0289","0.0296","","","","","","1.165","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342467","12.022","0.0005","12.022","0.0005","13.641","0.0006","90","","90","","120","","1707.38","0.13","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Mn S6 U -","- Ba3 Mn S6 U -","- Ba18 Mn6 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0124","0.011","","","0.0228","0.023","","","","","","1.587","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342468","12.0798","0.0002","12.0798","0.0002","15.0309","0.0003","90","","90","","120","","1899.48","0.06","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3.2 K0.8 S6 U -","- Ba3.1984 K0.8016 S6 U -","- Ba19.1904 K4.8096 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0124","0.0111","","","0.0187","0.0188","","","","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342469","12.0875","0.0003","12.0875","0.0003","15.1516","0.0005","90","","90","","120","","1917.18","0.09","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3.3 Rb0.7 S6 U -","- Ba3.293 Rb0.707 S6 U -","- Ba19.758 Rb4.242 S36 U6 -","6","0.166667","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Pozzi, Eric A.; Tarasenko, Mariya S.; Lebègue, Sébastien; Malliakas, Christos D.; Van Duyne, Richard P.; Ibers, James A.","Positional Flexibility: Syntheses and Characterization of Six Uranium Chalcogenides Related to the 2H Hexagonal Perovskite Family.","Inorganic chemistry","2015","54","6","2851","2857","10.1021/ic5029806","","","0.71073","MoKα","","0.0104","0.0094","","","0.0193","0.0194","","","","","","1.378","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342470","10.0406","0.0006","10.203","0.0007","15.5732","0.0014","101.23","0.001","92.815","0.001","118.396","0.001","1357.86","0.17","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","Cr(CO)5(CNArMes2)","","- C30 H25 Cr N O5 -","- C30 H25 Cr N O5 -","- C60 H50 Cr2 N2 O10 -","2","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0774","0.0792","","","","","","1.035","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342471","8.6921","0.0009","21.885","0.002","10.1779","0.0011","90","","92.318","0.002","90","","1934.5","0.3","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cr(CO)5(CNArDipp2)","","","- C21 H21 Cr0.5 F0.5 N0.5 O2.5 -","- C21 H21 Cr0.5 F0.5 N0.5 O2.5 -","- C84 H84 Cr2 F2 N2 O10 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0936","0.0689","","","0.1567","0.1717","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342472","15.2227","0.0008","10.104","0.0006","14.3484","0.0008","90","","105.806","0.001","90","","2123.5","0.2","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","CN(p-MeArMes2)","","","- C26 H27 N -","- C26 H27 N -","- C104 H108 N4 -","4","0.5","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0487","0.0434","","","0.1109","0.1167","","","","","","1.051","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342473","11.4647","0.0007","19.4477","0.0011","12.6957","0.0008","90","","95.256","0.001","90","","2818.8","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr(CO)5(pMeCNArMes2)","","","- C31 H27 Cr N O5 -","- C31 H27 Cr N O5 -","- C124 H108 Cr4 N4 O20 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0351","0.0322","","","0.0882","0.0912","","","","","","1.033","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342474","10.9087","0.0013","12.0442","0.0014","25.283","0.003","90","","90","","90","","3321.8","0.7","100","","100","","","","","","","","","3","P b c m","-P 2c 2b","57","CNArTripp2","","","- C37 H49 N -","- C37 H49 N -","- C148 H196 N4 -","4","0.5","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0633","0.0454","","","0.1143","0.1264","","","","","","1.043","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342475","6.4468","0.0004","12.949","0.0008","17.043","0.001","94.61","0.003","91.736","0.003","96.334","0.003","1408.38","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","Cr(CO)5(CNArClips)","","","- C28 H17 Cl4 Cr N O5 -","- C28 H17 Cl4 Cr N O5 -","- C56 H34 Cl8 Cr2 N2 O10 -","2","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0499","0.0419","","","0.0934","0.0962","","","","","","1.074","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342476","13.9002","0.0005","13.9199","0.0006","14.575","0.0005","90","","93.492","0.0011","90","","2814.87","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cr(CO)5(CN(pF-ArDArF))","","","- C28 H8 Cr F13 N O5 -","- C28 H8 Cr F13 N O5 -","- C112 H32 Cr4 F52 N4 O20 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0425","0.0322","","","0.078","0.0835","","","","","","1.021","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342477","16.7891","0.0012","6.2223","0.0004","31.887","0.002","90","","99.575","0.002","90","","3284.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cr(CO)5(CN(3,5-(CF3)2C6H3))","","","- C14 H3 Cr F6 N O5 -","- C14 H3 Cr F6 N O5 -","- C112 H24 Cr8 F48 N8 O40 -","8","2","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0685","0.0505","","","0.1153","0.1244","","","","","","1.052","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342478","26.7041","0.0014","10.9879","0.0006","27.416","0.0015","90","","90.041","0.003","90","","8044.5","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cr(CO)5(CNArTripp2)'","","","- C42 H49 Cr N O5 -","- C42 H49 Cr N O5 -","- C336 H392 Cr8 N8 O40 -","8","2","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0384","0.0336","","","0.0788","0.0813","","","","","","1.06","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342479","11.3248","0.0003","12.6913","0.0004","20.7094","0.0007","90","","91.4627","0.0009","90","","2975.52","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr(CO)5(CN(pMeArDArF2))","","","- C29 H11 Cr F12 N O5 -","- C29 H11 Cr F12 N O5 -","- C116 H44 Cr4 F48 N4 O20 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0538","0.0457","","","0.1132","0.1193","","","","","","1.042","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342480","13.7139","0.0009","13.8037","0.0011","14.7183","0.0012","90","","91.201","0.003","90","","2785.6","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cr(CO)5(CNArDArF2)","","","- C28 H9 Cr F12 N O5 -","- C28 H9 Cr F12 N O5 -","- C112 H36 Cr4 F48 N4 O20 -","4","1","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","0.71073","MoKα","","0.0942","0.0649","","","0.1625","0.1801","","","","","","1.048","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342481","7.3313","0.0003","13.1945","0.0006","14.5373","0.0006","90","","90","","90","","1406.23","0.1","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","Cr(CO)5(CNXylyl)","","","- C14 H9 Cr N O5 -","- C14 H9 Cr N O5 -","- C56 H36 Cr4 N4 O20 -","4","0.25","","Carpenter, Alex E.; Mokhtarzadeh, Charles C.; Ripatti, Donald S.; Havrylyuk, Irena; Kamezawa, Ryo; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Comparative measure of the electronic influence of highly substituted aryl isocyanides.","Inorganic chemistry","2015","54","6","2936","2944","10.1021/ic5030845","","x-ray","1.54178","CuKα","","0.0379","0.0371","","","0.1145","0.1154","","","","","","1.149","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342482","18.8275","0.0018","12.7316","0.0012","15.829","0.0016","90","","99.74","0.02","90","","3739.6","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[ZnI(L1)]2","","","- C32 H52 I2 N2 O6 Zn2 -","- C32 H52 I2 N2 O6 Zn2 -","- C128 H208 I8 N8 O24 Zn8 -","4","0.5","","Sanyal, Ria; Zhang, Xuepeng; Kundu, Priyanka; Chattopadhyay, Tanmay; Zhao, Cunyuan; Mautner, Franz A.; Das, Debasis","Mechanistic Implications in the Phosphatase Activity of Mannich-Based Dinuclear Zinc Complexes with Theoretical Modeling.","Inorganic chemistry","2015","54","5","2315","","10.1021/ic502937a","","","0.71073","MoKα","","0.0352","0.0325","","","0.08","0.0816","","","","","","1.068","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342483","20.858","0.002","8.1399","0.0008","21.673","0.002","90","","98.09","0.02","90","","3643.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[ZnCl(L1)]2","","","- C32 H52 Cl2 N2 O6 Zn2 -","- C32 H52 Cl2 N2 O6 Zn2 -","- C128 H208 Cl8 N8 O24 Zn8 -","4","1","","Sanyal, Ria; Zhang, Xuepeng; Kundu, Priyanka; Chattopadhyay, Tanmay; Zhao, Cunyuan; Mautner, Franz A.; Das, Debasis","Mechanistic Implications in the Phosphatase Activity of Mannich-Based Dinuclear Zinc Complexes with Theoretical Modeling.","Inorganic chemistry","2015","54","5","2315","","10.1021/ic502937a","","","0.71073","MoKα","","0.0382","0.0326","","","0.083","0.0866","","","","","","1.041","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342484","12.0114","0.0013","19.4652","0.0019","7.908","0.0008","90","","96.62","0.017","90","","1836.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ZnBr(L1)]2","","","- C32 H52 Br2 N2 O6 Zn2 -","- C32 H52 Br2 N2 O6 Zn2 -","- C64 H104 Br4 N4 O12 Zn4 -","2","0.5","","Sanyal, Ria; Zhang, Xuepeng; Kundu, Priyanka; Chattopadhyay, Tanmay; Zhao, Cunyuan; Mautner, Franz A.; Das, Debasis","Mechanistic Implications in the Phosphatase Activity of Mannich-Based Dinuclear Zinc Complexes with Theoretical Modeling.","Inorganic chemistry","2015","54","5","2315","","10.1021/ic502937a","","","0.71073","MoKα","","0.03","0.0261","","","0.0677","0.0693","","","","","","1.075","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342485","14.349","0.003","15.726","0.003","18.35","0.004","90","","108.45","0.03","90","","3927.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.86 H40 N8 Ni2 S4 -","- C37.855 H40 N8 Ni2 S4 -","- C151.42 H160 N32 Ni8 S16 -","4","1","","Gupta, Rakesh Kumar; Dubey, Mrigendra; Li, Pei Zhou; Xu, Qiang; Pandey, Daya Shankar","Size-Controlled Synthesis of Ag Nanoparticles Functionalized by Heteroleptic Dipyrrinato Complexes Having meso-Pyridyl Substituents and Their Catalytic Applications.","Inorganic chemistry","2015","54","6","2500","2511","10.1021/ic502848a","","","0.71073","MoKα","","0.0717","0.0524","","","0.1541","0.1648","","","","","","1.103","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342486","9.5275","0.0003","11.1173","0.0003","17.7204","0.0005","83.021","0.002","77.285","0.002","84.835","0.002","1813.47","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 B Cl6 F4 N6 O2 -","- C32 H29 B Cl6 F4 N6 O2 -","- C64 H58 B2 Cl12 F8 N12 O4 -","2","1","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71073","MoKα","","0.0782","0.044","","","0.0923","0.1119","","","","","","1.061","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342487","18.885","0.003","18.885","0.003","101.44","0.02","90","","90","","120","","31331","9","100","2","100.15","","","","","","","","","7","R -3 c","-R 3 2""c","167","M2L3OH","","","- C90 H78 B4 Co2 F16 N18 O6 -","- C90 H78 B1.5 Co2 F6 N18 O6 -","- C1080 H936 B18 Co24 F72 N216 O72 -","12","","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71075","MoKα","","0.2427","0.1876","","","0.4864","0.5191","","","","","","1.692","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342488","44.705","0.009","44.705","0.009","68.621","0.014","90","","90","","120","","118768","4","100","2","100","2","","","","","","","","7","R -3","-R 3","148","M12L18OH","","","- C540 H471 B24 Co12 F96 N108 O37.5 -","- C540 H462 B4 Co12 F16 N108 O37.5 -","- C3240 H2772 B24 Co72 F96 N648 O225 -","6","","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71075","MoKα","","0.2453","0.1991","","","0.4972","0.5222","","","","","","1.839","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342489","19.2188","0.0013","29.07","0.002","35.46","0.003","90.322","0.003","98.971","0.003","98.598","0.003","19340","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","M4L6OH","","","- C360 H384 Cl16 Co8 N72 O124 -","- C360 H311 Cl14 Co8 N72 O116 -","- C720 H622 Cl28 Co16 N144 O232 -","2","1","","Cullen, William; Hunter, Christopher A.; Ward, Michael D.","An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process.","Inorganic chemistry","2015","54","6","2626","2637","10.1021/ic502780b","","","0.71073","MoKα","","0.1728","0.1275","","","0.3647","0.4057","","","","","","1.529","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342490","25.8354","0.0011","14.1322","0.0004","46.5904","0.0017","90","","108.452","0.004","90","","16136.1","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H78 Cu3 I2 N P6 S3 -","- C88 H78 Cu3 I2 N P6 S3 -","- C704 H624 Cu24 I16 N8 P48 S24 -","8","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Impact of Ligand Framework on the Crystal Structures and Luminescent Properties of Cu(I) and Ag(I) Clusters and a Coordination Polymer Derived from Thiolate/Iodide/dppm Ligands.","Inorganic chemistry","2015","54","6","2572","2579","10.1021/ic502688h","","","0.71073","MoKα","","0.1587","0.1056","","","0.222","0.2443","","","","","","1.114","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342491","11.1675","0.0007","13.9647","0.0009","16.3081","0.001","75.609","0.005","74.558","0.005","74.791","0.005","2321.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H74 Ag6 Cl2 N6 S18 -","- C79 H74 Ag6 Cl2 N6 S18 -","- C79 H74 Ag6 Cl2 N6 S18 -","1","0.5","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Impact of Ligand Framework on the Crystal Structures and Luminescent Properties of Cu(I) and Ag(I) Clusters and a Coordination Polymer Derived from Thiolate/Iodide/dppm Ligands.","Inorganic chemistry","2015","54","6","2572","2579","10.1021/ic502688h","","","0.71073","MoKα","","0.1521","0.0791","","","0.2187","0.2587","","","","","","0.982","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342492","4.198","0.0009","9.9115","0.0014","10.8971","0.0013","79.511","0.011","79.461","0.009","79.925","0.01","433.58","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Cu I S3 -","- C3 H6 Cu I S3 -","- C6 H12 Cu2 I2 S6 -","2","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Impact of Ligand Framework on the Crystal Structures and Luminescent Properties of Cu(I) and Ag(I) Clusters and a Coordination Polymer Derived from Thiolate/Iodide/dppm Ligands.","Inorganic chemistry","2015","54","6","2572","2579","10.1021/ic502688h","","","0.71073","MoKα","","0.052","0.044","","","0.1036","0.1136","","","","","","1.045","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342493","6.545","0.003","6.964","0.003","15.297","0.008","94.31","0.008","94.205","0.01","95.464","0.016","689.8","0.6","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino","Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.","Inorganic chemistry","2015","54","6","2512","2521","10.1021/ic501842x","","x-ray","0.71073","MoKα","","0.1256","0.0708","","","0.1799","0.2117","","","","","","0.884","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342494","9.6398","0.0015","17.688","0.003","10.5316","0.0017","90","","102.232","0.003","90","","1755","0.5","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Mn2 N4 O13 Rb2 -","- C33 H36 Mn2 N4 O13 Rb2 -","- C66 H72 Mn4 N8 O26 Rb4 -","2","1","","González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino","Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.","Inorganic chemistry","2015","54","6","2512","2521","10.1021/ic501842x","","x-ray","0.71073","MoKα","","0.0443","0.0329","","","0.0695","0.075","","","","","","1.095","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342495","10.839","0.002","15.437","0.003","9.3724","0.0019","90","","92.052","0.004","90","","1567.2","0.5","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cs Mn N2 O5 -","- C16 H14 Cs Mn N2 O5 -","- C64 H56 Cs4 Mn4 N8 O20 -","4","1","","González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino","Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.","Inorganic chemistry","2015","54","6","2512","2521","10.1021/ic501842x","","x-ray","0.7107","MoKα","","0.0618","0.0374","","","0.0699","0.0749","","","","","","1.098","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342496","9.57","0.006","10.427","0.006","10.825","0.006","113.065","0.007","97.273","0.008","100.41","0.008","953.9","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","1","","","- C17.5 H18 K Mn N2 O6 -","- C17.5 H18 K Mn N2 O6 -","- C35 H36 K2 Mn2 N4 O12 -","2","1","","González-Riopedre, Gustavo; Bermejo, Manuel R.; Fernández-García, M Isabel; González-Noya, Ana M; Pedrido, Rosa; Rodríguez-Doutón, M Jesús; Maneiro, Marcelino","Alkali-Metal-Ion-Directed Self-Assembly of Redox-Active Manganese(III) Supramolecular Boxes.","Inorganic chemistry","2015","54","6","2512","2521","10.1021/ic501842x","","","0.71073","MoKα","","0.1307","0.0706","","","0.172","0.2036","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342497","6.1654","0.0018","5.8669","0.0012","11.489","0.003","90","","95.002","0.019","90","","413.99","0.18","250","2","250","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","BiSe","","- Bi Se -","- Bi Se -","- Bi4 Se4 -","4","0.5","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","0.71073","MoKα","","0.2438","0.1233","","","0.2999","0.371","","","","","","1.083","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342498","6.1705","0.0011","3.6053","0.0007","11.472","0.002","90","","95.218","0.015","90","","254.15","0.08","250","","250","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","CrSe2","","- Cr Se2 -","- Cr Se2 -","- Cr2 Se4 -","2","0.25","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","0.71073","MoKα","","0.188","0.1398","","","0.3631","0.3917","","","","","","1.447","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342499","6.1706","0.0019","17.748","0.005","11.474","0.004","90","","95.04","0.03","90","","1251.7","0.7","250","2","250","","","","","","","","","3","C 1 m 1","C -2y","8","","Bismuth Chromium Selenide","","- Bi1.5 Cr1.25 Se4 -","- Bi1.5 Cr1.25 Se4 -","- Bi12 Cr10 Se32 -","8","2","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","0.71073","MoKα","","0.3256","0.1362","","","0.3102","0.4516","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342500","6.206","0.0004","5.8849","0.0005","17.2377","0.001","90","","93.552","0.005","90","","628.34","0.08","250","","250","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Bismuth Chromium Selenide","","- Bi Se -","- Bi Se -","- Bi4 Se4 -","4","0.5","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","1.54178","CuKα","","0.1399","0.1238","","","0.3092","0.3258","","","","","","1.086","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342501","6.2049","0.0004","3.598","0.0003","17.2352","0.0012","90","","93.535","0.006","90","","384.05","0.05","250","2","249.99","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Bismuth chromium selenide","","- Cr2.3 Se4 -","- Cr2.45 Se4 -","- Cr4.9 Se8 -","2","0.25","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","1.54178","CuKα","","0.1352","0.1318","","","0.316","0.3185","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342502","6.2044","0.0005","17.9594","0.0016","17.2313","0.0015","90","","93.537","0.007","90","","1916.4","0.3","250","","249.99","","","","","","","","","3","C 1 m 1","C -2y","8","","Bismuth Chromium Selenide","","- Bi1.5 Cr3 Se6.5 -","- Bi1.5 Cr3 Se6.5 -","- Bi12 Cr24 Se52 -","8","2","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","1.54178","CuKα","","0.177","0.1179","","","0.339","0.4036","","","","","","1.279","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342503","8.425109","0.000097","8.425109","0.000097","17.47962","0.00029","90","","90","","90","","1240.75","0.03","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","blue-green corrosion product","sodium copper formate hydroxide oxide hydrate","","- C8 H18 Cu4 Na4 O23 -","- C8 H18 Cu4 Na4 O23 -","- C16 H36 Cu8 Na8 O46 -","2","0.25","","Dinnebier, Robert E.; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard","Solid-state structure of a degradation product frequently observed on historic metal objects.","Inorganic chemistry","2015","54","6","2638","2642","10.1021/ic5027637","powder diffraction","","0.7093","MoKα1","","0.549","","","","","","","","1.595","","","","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4342504","17.1944","0.0008","25.4173","0.0011","29.515","0.0013","90","","95.621","0.001","90","","12837.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C130 H191.4 N11 Ni2 O23.2 -","- C130 H191 N11 Ni2 O23.2 -","- C520 H764 N44 Ni8 O92.8 -","4","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.1147","0.0782","","","0.1796","0.1998","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342505","14.0106","0.0008","14.0106","0.0008","40.347","0.002","90","","90","","120","","6858.9","0.6","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C124 H138 F12 Fe3 N14 O25 S4 -","- C123.98 H137.96 F12 Fe3 N13.99 O25 S4 -","- C247.96 H275.92 F24 Fe6 N27.98 O50 S8 -","2","0.333333","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.0561","0.0471","","","0.1165","0.1202","","","","","","1.015","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342506","12.6404","0.0003","41.0768","0.0011","23.8572","0.0006","90","","96.972","0.002","90","","12295.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H118 Co3 F12 N14 O26 S4 -","- C95 H106 Co3 F12 N10 O26 S4 -","- C380 H424 Co12 F48 N40 O104 S16 -","4","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","1.54178","CuKα","","0.1736","0.0948","","","0.2181","0.2451","","","","","","0.885","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342507","24.8803","0.0009","28.4809","0.0008","54.2721","0.0016","90","","90","","90","","38458","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C113 H150.5 Cl3 Cu3 K3 N9 O25.75 -","- C113 H146.5 Cl3 Cu3 K3 N9 O25.75 -","- C904 H1172 Cl24 Cu24 K24 N72 O206 -","8","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","1.54178","CuKα","","0.3381","0.2159","","","0.459","0.5138","","","","","","2.321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342508","16.4432","0.0005","21.3132","0.0007","21.7281","0.0006","111.885","0.002","108.753","0.002","100.642","0.002","6276.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C122 H151 Cl2 F6 Fe2 N9 O23 S2 -","- C103 H127 Cl2 F6 Fe2 N9 O22 S2 -","- C206 H254 Cl4 F12 Fe4 N18 O44 S4 -","2","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","1.54178","CuKα","","0.0937","0.0563","","","0.1347","0.1462","","","","","","0.854","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342509","17.174","0.0009","25.4074","0.0014","29.3905","0.0016","90","","96.148","0.001","90","","12750.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C123.55 H174.6 N11 Na Ni2 O20.5 -","- C123.55 H174.6 N11 Na Ni2 O20.5 -","- C494.2 H698.4 N44 Na4 Ni8 O82 -","4","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.1339","0.0821","","","0.2319","0.2504","","","","","","1.457","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342510","58.49","0.004","58.49","0.004","18.9701","0.0012","90","","90","","120","","56204","6","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C121 H163 Cl K N9 Ni3 O23 -","- C113 H143 Cl K N9 Ni3 O21 -","- C2034 H2574 Cl18 K18 N162 Ni54 O378 -","18","1","","Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.","A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.","Inorganic chemistry","2015","54","6","2691","2704","10.1021/ic502873d","","","0.71073","MoKα","","0.0806","0.061","","","0.1415","0.1507","","","","","","1.038","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342511","13.3546","0.0002","7.8871","0.0001","6.2806","0.0001","90","","90","","90","","661.53","0.017","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","Lithium Manganese Germanium Sulfide","","","- Ge Li2 Mn S4 -","- Ge Li2 Mn S4 -","- Ge4 Li8 Mn4 S16 -","4","1","","Brant, Jacilynn A.; Clark, Daniel J.; Kim, Yong Soo; Jang, Joon I.; Weiland, Ashley; Aitken, Jennifer A.","Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors.","Inorganic chemistry","2015","54","6","2809","2819","10.1021/ic502981r","","","0.71073","MoKα","","0.0109","0.0097","","","0.0252","0.0273","","","","","","0.826","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342512","6.3432","0.0002","6.7184","0.0002","7.9404","0.0003","90","","89.988","0.002","90","","338.389","0.019","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","Lithium cobalt tin sulfide","","","- Co Li2 S4 Sn -","- Co Li2 S4 Sn -","- Co2 Li4 S8 Sn2 -","2","1","","Brant, Jacilynn A.; Clark, Daniel J.; Kim, Yong Soo; Jang, Joon I.; Weiland, Ashley; Aitken, Jennifer A.","Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors.","Inorganic chemistry","2015","54","6","2809","2819","10.1021/ic502981r","","","0.71073","MoKα","","0.0315","0.025","","","0.0477","0.0494","","","","","","1.032","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342513","14.769","0.005","8.526","0.003","29.042","0.011","90","","100.321","0.005","90","","3598","2","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H26 F10 N4 O3 -","- C43 H26 F10 N4 O3 -","- C172 H104 F40 N16 O12 -","4","1","","Lemon, Christopher M.; Halbach, Robert L.; Huynh, Michael; Nocera, Daniel G.","Photophysical Properties of β-Substituted Free-Base Corroles.","Inorganic chemistry","2015","54","6","2713","2725","10.1021/ic502860g","","","0.71073","MoKα","","0.0563","0.0396","","","0.0923","0.1019","","","","","","1.027","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342514","16.198","0.013","17.515","0.014","17.649","0.014","96.489","0.013","114.139","0.012","105.927","0.012","4247","6","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H34 F20 N8 O4 -","- C78 H34 F20 N8 O4 -","- C156 H68 F40 N16 O8 -","2","1","","Lemon, Christopher M.; Halbach, Robert L.; Huynh, Michael; Nocera, Daniel G.","Photophysical Properties of β-Substituted Free-Base Corroles.","Inorganic chemistry","2015","54","6","2713","2725","10.1021/ic502860g","","","0.71073","MoKα","","0.1302","0.0698","","","0.1812","0.2053","","","","","","0.935","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342515","14.016","0.003","16.678","0.004","20.834","0.005","68.062","0.004","80.632","0.005","80.816","0.005","4431.2","1.8","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C91 H53 Br8 F20 N9 O7 -","- C91 H53 Br8 F20 N9 O7 -","- C182 H106 Br16 F40 N18 O14 -","2","1","","Lemon, Christopher M.; Halbach, Robert L.; Huynh, Michael; Nocera, Daniel G.","Photophysical Properties of β-Substituted Free-Base Corroles.","Inorganic chemistry","2015","54","6","2713","2725","10.1021/ic502860g","","","0.71073","MoKα","","0.0856","0.0557","","","0.107","0.1144","","","","","","1.052","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342516","11.0329","0.0003","16.7685","0.0005","19.2896","0.0003","90","","94.4887","0.0018","90","","3557.73","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.5 H19.75 N1.25 O7 U -","- C14.5 H19.75 N1.25 O7 U -","- C116 H158 N10 O56 U8 -","8","2","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0328","0.0248","","","0.0574","0.0593","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342517","8.8534","0.0008","10.608","0.0011","10.8364","0.0009","101.364","0.005","112.692","0.004","105.953","0.005","848.45","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 N O7 U -","- C15 H21 N O7 U -","- C30 H42 N2 O14 U2 -","2","1","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0458","0.0318","","","0.0515","0.0544","","","","","","0.912","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342518","12.3331","0.0007","14.7388","0.0008","14.9946","0.0008","111.546","0.002","105.075","0.003","106.267","0.003","2223.6","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H61 N2 O17.5 U2 -","- C40 H58 N2 O17.5 U2 -","- C80 H116 N4 O35 U4 -","2","2","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0518","0.0441","","","0.0982","0.1016","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342519","36.6031","0.0016","10.1698","0.0004","21.175","0.0008","90","","110.279","0.004","90","","7393.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 N O7 U -","- C17 H23 N O7 U -","- C272 H368 N16 O112 U16 -","16","2","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0579","0.0345","","","0.0689","0.0746","","","","","","0.976","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342520","16.5351","0.0008","13.825","0.0005","19.8753","0.0007","90","","109.815","0.002","90","","4274.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Co N4 O10.5 U -","- C44 H45 Co N4 O10.5 U -","- C176 H180 Co4 N16 O42 U4 -","4","1","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0785","0.0365","","","0.0592","0.0662","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342521","16.4567","0.0009","13.786","0.0005","19.9056","0.0011","90","","109.587","0.003","90","","4254.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 N4 Ni O10.5 U -","- C44 H45 N4 Ni O10.5 U -","- C176 H180 N16 Ni4 O42 U4 -","4","1","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.056","0.0354","","","0.0642","0.0683","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342522","14.0975","0.0005","14.5802","0.0003","20.5052","0.0007","102.939","0.0017","97.3018","0.0015","114.308","0.0016","3627.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H72 N6 Ni O25 U4 -","- C66 H68 N6 Ni O25 U4 -","- C132 H136 N12 Ni2 O50 U8 -","2","1","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0386","0.0275","","","0.0676","0.0705","","","","","","1.037","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342523","17.3216","0.0011","12.0844","0.0008","11.9978","0.0006","90","","110.94","0.004","90","","2345.5","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cu O10 U -","- C24 H28 Cu O10 U -","- C96 H112 Cu4 O40 U4 -","4","0.5","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0395","0.0313","","","0.0804","0.0842","","","","","","1.02","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342524","13.7842","0.0007","14.043","0.0005","16.2606","0.0007","89.053","0.003","82.825","0.002","80.931","0.003","3083.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H59 Cu2 N6 O22.5 U2 -","- C56 H58 Cu2 N6 O22.5 U2 -","- C112 H116 Cu4 N12 O45 U4 -","2","1","","Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack","Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.","Inorganic chemistry","2015","54","6","2838","2850","10.1021/ic503004j","","","0.71073","MoKα","","0.0583","0.0504","","","0.1297","0.1326","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342525","23.42","0.007","28.043","0.008","36.241","0.01","90","","90","","90","","23802","12","150","","150","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C36 H70 Ce Co N6 O38 -","- C36 H18 Ce Co N6 O38 -","- C576 H288 Ce16 Co16 N96 O608 -","16","0.5","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.0832","","","","0.1569","","","","","","1.316","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342526","23.316","0.005","28.011","0.006","36.079","0.007","90","","90","","90","","23563","8","150","","150","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C36 H62 Co N6 O34 Pr -","- C36 H18 Co N6 O34 Pr -","- C576 H288 Co16 N96 O544 Pr16 -","16","0.5","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.6889","","","","0.0709","","","","0.2579","","","","","","1.135","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342527","17.982","0.009","17.982","0.009","17.982","0.009","90","","90","","90","","5815","5","150","","150","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co N6 O12 Pr -","- C36 Co N6 O12 Pr -","- C144 Co4 N24 O48 Pr4 -","4","0.0208333","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.1055","","","","0.2788","","","","","","1.424","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342528","18.027","0.005","18.027","0.005","18.027","0.005","90","","90","","90","","5858","3","150","","150","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co N6 O12 Sm -","- C36 Co N6 O12 Sm -","- C144 Co4 N24 O48 Sm4 -","4","0.0208333","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.0763","","","","0.2452","","","","","","1.311","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342529","18.014","0.005","18.014","0.005","18.014","0.005","90","","90","","90","","5846","3","158","","158","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co Eu N6 O12 -","- C36 Co Eu N6 O12 -","- C144 Co4 Eu4 N24 O48 -","4","0.0208333","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.0753","","","","0.2424","","","","","","1.271","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342530","17.9076","0.001","17.9076","0.001","17.9076","0.001","90","","90","","90","","5742.6","0.6","153","","153","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co N6 O12 Tb -","- C36 Co N6 O12 Tb -","- C144 Co4 N24 O48 Tb4 -","4","0.0208333","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.0749","","","","0.2231","","","","","","1.208","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342531","17.8277","0.001","17.8277","0.001","17.8277","0.001","90","","90","","90","","5666.1","0.6","150","","150","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 Co Er N6 O12 -","- C36 Co Er N6 O12 -","- C144 Co4 Er4 N24 O48 -","4","0.0208333","","Kobayashi, Atsushi; Suzuki, Yui; Ohba, Tadashi; Ogawa, Tomohiro; Matsumoto, Takeshi; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Systematic Syntheses and Metalloligand Doping of Flexible Porous Coordination Polymers Composed of a Co(III)-Metalloligand.","Inorganic chemistry","2015","54","6","2522","2535","10.1021/ic5021302","","","0.7107","MoKα","","","0.0762","","","","0.2188","","","","","","1.186","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342532","13.6848","0.0007","14.5766","0.0008","15.3761","0.0008","98.393","0.004","91.034","0.004","98.274","0.004","3000.4","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H44 Co2 Mn5 N12 O68 -","- C84 H44 Co2 Mn5 N12 O68 -","- C84 H44 Co2 Mn5 N12 O68 -","1","0.5","","Kumar, Girijesh; Kumar, Gulshan; Gupta, Rajeev","Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions.","Inorganic chemistry","2015","54","6","2603","2615","10.1021/ic502772k","","","0.71073","MoKα","","0.1154","0.0898","","","0.2183","0.2389","","","","","","1.028","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342533","16.166","0.005","20.191","0.005","17.628","0.005","90","0.005","104.578","0.005","90","0.005","5569","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H44 Co7 N12 O60 -","- C84 H44 Co7 N12 O60 -","- C168 H88 Co14 N24 O120 -","2","0.5","","Kumar, Girijesh; Kumar, Gulshan; Gupta, Rajeev","Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions.","Inorganic chemistry","2015","54","6","2603","2615","10.1021/ic502772k","","","0.71073","MoKα","","0.127","0.1081","","","0.2314","0.2438","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342534","16.178","0.003","20.967","0.004","17.788","0.004","90","","104.54","0.03","90","","5841","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H44 Co2 Mn5 N12 O58 -","- C84 H44 Co2 Mn5 N12 O58 -","- C168 H88 Co4 Mn10 N24 O116 -","2","0.5","","Kumar, Girijesh; Kumar, Gulshan; Gupta, Rajeev","Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions.","Inorganic chemistry","2015","54","6","2603","2615","10.1021/ic502772k","","","0.71073","MoKα","","0.2124","0.1705","","","0.4008","0.4181","","","","","","1.461","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342535","15.797","0.005","16.814","0.005","16.923","0.005","113.424","0.005","91.619","0.005","117.293","0.005","3541.1","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H44 Co7 N12 O64 -","- C84 H44 Co7 N12 O64 -","- C84 H44 Co7 N12 O64 -","1","0.5","","Kumar, Girijesh; Kumar, Gulshan; Gupta, Rajeev","Manganese- and cobalt-based coordination networks as promising heterogeneous catalysts for olefin epoxidation reactions.","Inorganic chemistry","2015","54","6","2603","2615","10.1021/ic502772k","","","0.71073","MoKα","","0.1199","0.0859","","","0.2166","0.2419","","","","","","1.069","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342536","14.1332","0.0006","14.5044","0.0006","15.416","0.0007","64.416","0.003","67.409","0.003","62.898","0.003","2467.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H94 N P6 Rh6 Se8 -","- C109 H94 N P6 Rh6 Se8 -","- C109 H94 N P6 Rh6 Se8 -","1","0.5","","Thiele, Günther; You, Zhiliang; Dehnen, Stefanie","Molecular CHEVREL-like Clusters [(RhPPh3)6(μ3-Se)8] and [Pd6(μ3-Te)8](4.).","Inorganic chemistry","2015","54","6","2491","2493","10.1021/ic502409r","","","0.71073","MoKα","","0.0637","0.0417","","","0.1016","0.1098","","","","","","0.9532","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342537","16.9445","0.0019","10.319","0.001","16.9561","0.0018","90","","104.894","0.009","90","","2865.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H40 Li2 N10 Pd3 Te4 -","- C10 H40 Li2 N10 Pd3 Te4 -","- C40 H160 Li8 N40 Pd12 Te16 -","4","1","","Thiele, Günther; You, Zhiliang; Dehnen, Stefanie","Molecular CHEVREL-like Clusters [(RhPPh3)6(μ3-Se)8] and [Pd6(μ3-Te)8](4.).","Inorganic chemistry","2015","54","6","2491","2493","10.1021/ic502409r","","","0.71073","MoKα","","0.0624","0.0544","","","0.1221","0.1262","","","","","","0.983","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342538","14.583","0.003","7.77","0.0016","29.984","0.006","90","","100.72","0.03","90","","3338.2","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Cl N O2 P2 Pd -","- C33 H48 Cl N O2 P2 Pd -","- C132 H192 Cl4 N4 O8 P8 Pd4 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0633","0.0381","","","0.0746","0.0844","","","","","","1.018","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342539","15.257","0.003","16.06","0.004","38.351","0.01","90","","99.384","0.01","90","","9271","4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 B11 Cl12 N O2 P2 Pd -","- C27 H41 B11 Cl12 N O2 P2 Pd -","- C216 H328 B88 Cl96 N8 O16 P16 Pd8 -","8","2","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","1.54178","CuKα","","0.117","0.0521","","","0.1078","0.1338","","","","","","0.987","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342540","13.3934","0.0011","17.5025","0.0014","21.7018","0.0018","90","","90","","90","","5087.3","0.7","436","2","436","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl F2 N Ni P2 -","- C24 H34 Cl F2 N Ni P2 -","- C192 H272 Cl8 F16 N8 Ni8 P16 -","8","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0741","0.036","","","0.0534","0.0611","","","","","","0.85","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342541","19.2193","0.0006","15.7847","0.0004","15.2405","0.0005","90","","106.816","0.002","90","","4425.8","0.2","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B11 Cl12 F2 N Ni P2 -","- C25 H35 B11 Cl12 F2 N Ni P2 -","- C100 H140 B44 Cl48 F8 N4 Ni4 P8 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0537","0.0329","","0.0699","0.0635","0.0699","","","","","","0.9469","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342542","24.099","0.002","9.336","0.0008","15.1188","0.0014","90","","105.631","0.004","90","","3275.8","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H42 N O P2 Rh -","- C35.5 H42 N O P2 Rh -","- C142 H168 N4 O4 P8 Rh4 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0282","0.0268","","0.0653","0.0614","0.0653","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342543","14.327","0.007","12.273","0.006","16.08","0.008","90","","95.796","0.005","90","","2813","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl N2 P Pd -","- C30 H38 Cl N2 P Pd -","- C120 H152 Cl4 N8 P4 Pd4 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0383","0.027","","","0.0582","0.0612","","","","","","0.923","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342544","10.6723","0.0018","22.513","0.004","12.385","0.002","90","","110.349","0.001","90","","2790","0.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl3 N2 P Pd -","- C26 H38 Cl3 N2 P Pd -","- C104 H152 Cl12 N8 P4 Pd4 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0302","0.0281","","","0.0661","0.0676","","","","","","1.034","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342545","12.529","0.009","11.111","0.008","24.031","0.016","90","","101.51","0.009","90","","3278","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPr-PNN-tBu Pd acetate","","","- C27 H39 N2 O2 P Pd -","- C27 H39 N2 O2 P Pd -","- C108 H156 N8 O8 P4 Pd4 -","4","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0688","0.0459","","","0.1013","0.1091","","","","","","0.982","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342546","8.7524","0.0018","11.495","0.002","17.8","0.005","101.553","0.003","95.071","0.003","111.188","0.002","1610.4","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 F12 N O3 P2 Rh -","- C27 H28 F12 N O3 P2 Rh -","- C54 H56 F24 N2 O6 P4 Rh2 -","2","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0607","0.0456","","","0.1081","0.115","","","","","","1.034","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342547","13.918","0.002","18.38","0.003","18.813","0.003","90","","90","","90","","4812.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H23 B N2 O -","- C31 H23 B N2 O -","- C248 H184 B8 N16 O8 -","8","1","","Zhang, Zhenyu; Zhang, Houyu; Jiao, Chuanjun; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","2-(2-Hydroxyphenyl)benzimidazole-Based Four-Coordinate Boron-Containing Materials with Highly Efficient Deep-Blue Photoluminescence and Electroluminescence.","Inorganic chemistry","2015","54","6","2652","2659","10.1021/ic502815q","","","0.71073","MoKα","","0.0899","0.064","","","0.1352","0.1489","","","","","","1.069","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342548","10.564","0.002","15.403","0.003","15.147","0.003","90","","107.49","0.03","90","","2350.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 B N2 O -","- C31 H21 B N2 O -","- C124 H84 B4 N8 O4 -","4","1","","Zhang, Zhenyu; Zhang, Houyu; Jiao, Chuanjun; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","2-(2-Hydroxyphenyl)benzimidazole-Based Four-Coordinate Boron-Containing Materials with Highly Efficient Deep-Blue Photoluminescence and Electroluminescence.","Inorganic chemistry","2015","54","6","2652","2659","10.1021/ic502815q","","","0.71073","MoKα","","0.0607","0.0448","","","0.1145","0.1216","","","","","","1.074","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342549","40.263","0.004","9.4403","0.0008","23.128","0.002","90","","108.014","0.003","90","","8359.9","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H62 I2 N2 P4 Pt2 -","- C32 H62 I2 N2 P4 Pt2 -","- C256 H496 I16 N16 P32 Pt16 -","8","1","","Bhowmick, Sourav; Chakraborty, Sourav; Das, Atanu; Rajamohanan, P. R.; Das, Neeladri","Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry.","Inorganic chemistry","2015","54","6","2543","2550","10.1021/ic502581x","","","0.71073","MoKα","","0.0436","0.0344","","","0.0833","0.1031","","","","","","1.157","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342550","10.4461","0.0018","13.727","0.002","16.79","0.003","90","","98.864","0.005","90","","2378.8","0.7","125","","125","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H73 Ga N8 P4 Te3 -","- C32 H73 Ga N8 P4 Te3 -","- C64 H146 Ga2 N16 P8 Te6 -","2","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.0837","0.0731","","","0.1788","0.1887","","","","","","1.135","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342551","10.439","0.002","13.63","0.002","17.005","0.003","90","","99.789","0.004","90","","2384.3","0.7","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H73 In N8 P4 Te3 -","- C32 H73 In N8 P4 Te3 -","- C64 H146 In2 N16 P8 Te6 -","2","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0204","","","","0.0505","","","","","","0.418","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342552","9.3375","0.0018","11.603","0.002","15.879","0.003","87.895","0.006","80.914","0.006","89.309","0.006","1697.6","0.5","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 Ge N4 P2 Te2 -","- C28 H46 Ge N4 P2 Te2 -","- C56 H92 Ge2 N8 P4 Te4 -","2","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.1942","0.1169","","","0.245","0.2593","","","","","","1.085","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342553","20.1157","0.00012","30.241","0.0002","11.5584","0.0007","90","","90","","90","","7031.2","0.4","125","","125","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H54 N4 P2 Sn Te2 -","- C24 H54 N4 P2 Sn Te2 -","- C192 H432 N32 P16 Sn8 Te16 -","8","0.5","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.0503","0.0372","","","0.0554","0.0584","","","","","","1.062","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342554","19.345","0.004","15.089","0.003","11.43","0.003","90","","90.608","0.004","90","","3336.2","1.3","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H54 N4 P2 Se2 Sn -","- C24 H54 N4 P2 Se2 Sn -","- C96 H216 N16 P8 Se8 Sn4 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0516","","","","0.1233","","","","","","0.923","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342555","16.403","0.004","10.2","0.002","16.82","0.004","90","","90","","90","","2814.2","1.1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H45 N4 P3 Se2 -","- C20 H36 N4 P3 Se2 -","- C80 H144 N16 P12 Se8 -","4","0.5","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","0.1106","0.075","","","0.1594","0.1776","","","","","","1.073","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342556","15.707","0.005","14.808","0.004","11.549","0.003","90","","94.354","0.007","90","","2678.4","1.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 N4 P2 Se2 Te2 -","- C16 H36 N4 P2 Se2 Te2 -","- C64 H144 N16 P8 Se8 Te8 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.078","","","","0.2127","","","","","","1.051","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342557","10.532","0.003","12.899","0.004","19.465","0.004","90","","90","","90","","2644.4","1.2","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H41 As N4 P2 Se2 -","- C18 H41 As N4 P2 Se2 -","- C72 H164 As4 N16 P8 Se8 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0602","","","","0.1875","","","","","","1.099","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342558","28.045","0.019","4.536","0.003","15.597","0.011","90","","116.2","0.007","90","","1780","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mn N2 O11 -","- C16 H18 Mn N2 O11 -","- C64 H72 Mn4 N8 O44 -","4","0.5","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.06","0.055","","","0.1557","0.161","","","","","","1.012","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342559","13.0721","0.0004","13.0721","0.0004","11.1466","0.0005","90","","90","","90","","1904.73","0.12","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H14 Mn2 N0 O10 -","- C17 H12 Mn2 O10 -","- C68 H48 Mn8 O40 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.0994","0.0735","","","0.1916","0.2212","","","","","","1.034","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342560","13.0696","0.0003","13.0696","0.0003","11.2867","0.0005","90","","90","","90","","1927.93","0.11","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C17 H14 Mn2 N0 O10 -","- C17 H12 Mn2 O10 -","- C68 H48 Mn8 O40 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.048","0.0455","","","0.1278","0.1301","","","","","","1.012","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342561","9.73","0.002","11.755","0.003","12.509","0.003","62.698","0.009","71.906","0.012","75.299","0.011","1197.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Mn2 N2 O12 -","- C22 H22 Mn2 N2 O12 -","- C44 H44 Mn4 N4 O24 -","2","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.0663","0.0462","","","0.1242","0.1347","","","","","","1.01","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342562","23.604","0.008","41.954","0.012","11.675","0.004","90","","116.908","0.004","90","","10310","6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H47 Mn4 N O31 S5 -","- C72 H49 Mn4 N O31 S5 -","- C288 H196 Mn16 N4 O124 S20 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.084","0.0612","","","0.1635","0.1873","","","","","","1.038","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342563","10.89","0.005","17.561","0.005","14.168","0.005","90","","93.464","0.004","90","","2704.5","1.7","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 F3 Mo N4 O5 S -","- C25 H27 F3 Mo N4 O5 S -","- C100 H108 F12 Mo4 N16 O20 S4 -","4","1","","Cebollada, Andrea; Viguri, Maialen Espinal; Pérez, Julio; Díaz, Jesús; López, Ramón; Riera, Lucía","Influence of the N-N Coligand: C-C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(η(3)-allyl)(CO)2} Fragments. Theoretical and Experimental Studies.","Inorganic chemistry","2015","54","6","2580","2590","10.1021/ic502729z","","","0.71073","MoKα","","0.0344","0.0289","","","0.0731","0.0762","","","","","","1.031","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342564","8.5194","0.0003","11.1863","0.0003","30.02","0.001","90","","93.456","0.002","90","","2855.72","0.16","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F3 Mo N4 O5 S -","- C23 H23 F3 Mo N4 O5 S -","- C92 H92 F12 Mo4 N16 O20 S4 -","4","1","","Cebollada, Andrea; Viguri, Maialen Espinal; Pérez, Julio; Díaz, Jesús; López, Ramón; Riera, Lucía","Influence of the N-N Coligand: C-C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(η(3)-allyl)(CO)2} Fragments. Theoretical and Experimental Studies.","Inorganic chemistry","2015","54","6","2580","2590","10.1021/ic502729z","","","0.71073","MoKα","","0.072","0.0511","","","0.1228","0.1306","","","","","","1.049","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342565","14.315","0.005","11.167","0.003","16.931","0.006","90","","108.88","0.02","90","","2560.9","1.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 F3 Mo N4 O5 S -","- C24 H25 F3 Mo N4 O5 S -","- C96 H100 F12 Mo4 N16 O20 S4 -","4","1","","Cebollada, Andrea; Viguri, Maialen Espinal; Pérez, Julio; Díaz, Jesús; López, Ramón; Riera, Lucía","Influence of the N-N Coligand: C-C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(η(3)-allyl)(CO)2} Fragments. Theoretical and Experimental Studies.","Inorganic chemistry","2015","54","6","2580","2590","10.1021/ic502729z","","","0.71073","MoKα","","0.0533","0.0342","","","0.0724","0.0808","","","","","","1.024","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342566","7.945","0.005","9.96","0.005","18.139","0.005","74.699","0.005","80.275","0.005","83.379","0.005","1360.8","1.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C23 H32 F3 Mo N4 O5 S -","- C23 H32 F3 Mo N4 O5 S -","- C46 H64 F6 Mo2 N8 O10 S2 -","2","1","","Cebollada, Andrea; Viguri, Maialen Espinal; Pérez, Julio; Díaz, Jesús; López, Ramón; Riera, Lucía","Influence of the N-N Coligand: C-C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(η(3)-allyl)(CO)2} Fragments. Theoretical and Experimental Studies.","Inorganic chemistry","2015","54","6","2580","2590","10.1021/ic502729z","","","0.71073","MoKα","","0.1154","0.0829","","","0.1997","0.2271","","","","","","1.121","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342567","7.9526","0.0003","12.9341","0.0005","14.3734","0.0005","76.75","0.003","87.895","0.003","76.286","0.003","1397.82","0.09","152","4","152","4","","","","","","","","8","P -1","-P 1","2","","","","- C22 H29 Cl2 F3 Mo N4 O5 S -","- C22 H29 Cl2 F3 Mo N4 O5 S -","- C44 H58 Cl4 F6 Mo2 N8 O10 S2 -","2","1","","Cebollada, Andrea; Viguri, Maialen Espinal; Pérez, Julio; Díaz, Jesús; López, Ramón; Riera, Lucía","Influence of the N-N Coligand: C-C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(η(3)-allyl)(CO)2} Fragments. Theoretical and Experimental Studies.","Inorganic chemistry","2015","54","6","2580","2590","10.1021/ic502729z","","","1.5418","CuKα","","0.0529","0.0516","","","0.1301","0.1313","","","","","","1.043","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342568","11.5467","0.0006","11.5467","0.0006","11.5467","0.0006","90","","90","","90","","1539.48","0.14","298","2","298","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Al0.27 Er0.067 F10 Y2.67 Yb0.33 -","- Al0.26667 Er0.0651 F10 Y2.67547 Yb0.3258 -","- Al2.13336 Er0.5208 F80 Y21.4037 Yb2.6064 -","8","0.0416667","","Huang, Qingming; Yu, Han; Ma, En; Zhang, Xinqi; Cao, Wenbing; Yang, Chengang; Yu, Jianchang","Upconversion effective enhancement by producing various coordination surroundings of rare-Earth ions.","Inorganic chemistry","2015","54","6","2643","2651","10.1021/ic5027976","powder diffraction","","1.78901","CoKα","","","","","","","","","8.52","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342569","8.443","0.002","16.308","0.004","22.317","0.005","90","","95.49","0.003","90","","3058.7","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N5 O -","- C39 H35 N5 O -","- C156 H140 N20 O4 -","4","1","","Chatterjee, Tamal; Areti, Sivaiah; Ravikanth, Mangalampalli","Synthesis, structure, and hg(2+)-ion-sensing properties of stable calixazasmaragdyrins.","Inorganic chemistry","2015","54","6","2885","2892","10.1021/ic503028k","","","0.7107","MoKα","","0.0669","0.0497","","","0.1189","0.1346","","","","","","0.922","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342570","15.857","0.003","4.3147","0.0008","7.0971","0.0014","90","","106.878","0.003","90","","464.65","0.15","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","samarium rhodium indium germanide (4/2/1/4)","samarium rhodium indium germanide (4/2/1/4)","","- Ge4 In Rh2 Sm4 -","- Ge4 In0.973 Rh2 Sm4 -","- Ge8 In1.946 Rh4 Sm8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0251","0.0196","","","0.0379","0.0393","","","","","","1.018","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342571","16.174","0.004","4.3794","0.001","7.2321","0.0017","90","","106.144","0.003","90","","492.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cerium ruthenium indium germanide (4/2/1/4)","cerium ruthenium indium germanide (4/2/1/4)","","- Ce4 Ge4 In Ru2 -","- Ce4 Ge4 In0.962 Ru2 -","- Ce8 Ge8 In1.924 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0294","0.0218","","","0.0493","0.0513","","","","","","1.062","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342572","16.083","0.005","4.3605","0.0013","7.19","0.002","90","","106.254","0.004","90","","484.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","praseodymium ruthenium indium germanide (4/2/1/4)","praseodymium ruthenium indium germanide (4/2/1/4)","","- Ge4 In Pr4 Ru2 -","- Ge4 In0.959 Pr4 Ru2 -","- Ge8 In1.918 Pr8 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.051","0.0349","","","0.0749","0.0812","","","","","","1.018","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342573","16.014","0.006","4.3463","0.0016","7.16","0.003","90","","106.353","0.005","90","","478.2","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","neodymium ruthenium indium germanide (4/2/1/4)","neodymium ruthenium indium germanide (4/2/1/4)","","- Ge4 In Nd4 Ru2 -","- Ge4 In0.954 Nd4 Ru2 -","- Ge8 In1.908 Nd8 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.035","0.0244","","","0.0498","0.0529","","","","","","1.035","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342574","15.877","0.003","4.3178","0.0007","7.0936","0.0012","90","","106.517","0.002","90","","466.23","0.14","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","samarium ruthenium indium germanide (4/2/1/4)","samarium ruthenium indium germanide (4/2/1/4)","","- Ge4 In Ru2 Sm4 -","- Ge4 In0.965 Ru2 Sm4 -","- Ge8 In1.93 Ru4 Sm8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.029","0.0221","","","0.0422","0.0439","","","","","","1.053","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342575","15.773","0.004","4.2875","0.0011","7.0393","0.0018","90","","106.635","0.004","90","","456.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","gadolinium ruthenium indium germanide (4/2/1/4)","gadolinium ruthenium indium germanide (4/2/1/4)","","- Gd4 Ge4 In Ru2 -","- Gd4 Ge4 In0.962 Ru2 -","- Gd8 Ge8 In1.924 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0353","0.024","","","0.0406","0.0437","","","","","","1.047","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342576","15.6651","0.0009","4.2639","0.0002","6.9895","0.0004","90","","106.672","0.0008","90","","447.23","0.04","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","terbium ruthenium indium germanide (4/2/1/4)","terbium ruthenium indium germanide (4/2/1/4)","","- Ge4 In Ru2 Tb4 -","- Ge4 In0.932 Ru2 Tb4 -","- Ge8 In1.864 Ru4 Tb8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0206","0.0188","","","0.0422","0.0429","","","","","","1.099","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342577","15.612","0.003","4.2519","0.0009","6.9641","0.0015","90","","106.728","0.003","90","","442.72","0.16","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","dysprosium ruthenium indium germanide (4/2/1/4)","dysprosium ruthenium indium germanide (4/2/1/4)","","- Dy4 Ge4 In Ru2 -","- Dy4 Ge4 In0.961 Ru2 -","- Dy8 Ge8 In1.922 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0294","0.0235","","","0.0496","0.0514","","","","","","1.057","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342578","15.55","0.004","4.2349","0.0012","6.9425","0.0019","90","","106.842","0.004","90","","437.6","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","holmium ruthenium indium germanide (4/2/1/4)","holmium ruthenium indium germanide (4/2/1/4)","","- Ge4 Ho4 In Ru2 -","- Ge4 Ho4 In0.962 Ru2 -","- Ge8 Ho8 In1.924 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0271","0.0232","","","0.0528","0.0543","","","","","","1.07","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342579","15.526","0.005","4.2254","0.0014","6.916","0.002","90","","106.85","0.004","90","","434.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","erbium ruthenium indium germanide (4/2/1/4)","erbium ruthenium indium germanide (4/2/1/4)","","- Er4 Ge4 In Ru2 -","- Er4 Ge4 In0.98 Ru2 -","- Er8 Ge8 In1.96 Ru4 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0413","0.0297","","","0.0657","0.0689","","","","","","1.039","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342580","20.2575","0.0012","4.2641","0.0003","10.2434","0.0006","90","","104.998","0.0009","90","","854.68","0.09","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","terbium rhodium indium germanide (4/1/1/4)","terbium rhodium indium germanide (4/1/1/4)","","- Ge4 In Rh Tb4 -","- Ge4 In Rh Tb4 -","- Ge16 In4 Rh4 Tb16 -","4","0.5","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0307","0.0244","","","0.0553","0.0576","","","","","","1.044","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342581","16.071","0.004","4.348","0.001","7.2757","0.0017","90","","106.945","0.003","90","","486.3","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cerium iron indium germanide (4/2/1/4)","cerium iron indium germanide (4/2/1/4)","","- Ce4 Fe2 Ge4 In -","- Ce4 Fe2 Ge4 In0.969 -","- Ce8 Fe4 Ge8 In1.938 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.022","0.0174","","","0.0375","0.0386","","","","","","1.105","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342582","16.0089","0.0012","4.3242","0.0003","7.2282","0.0005","90","","106.877","0.001","90","","478.83","0.06","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","praseodymium iron indium germanide (4/2/1/4)","praseodymium iron indium germanide (4/2/1/4)","","- Fe2 Ge4 In Pr4 -","- Fe2 Ge4 In0.974 Pr4 -","- Fe4 Ge8 In1.948 Pr8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0282","0.0202","","","0.037","0.039","","","","","","1.006","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342583","15.9354","0.001","4.3102","0.0003","7.2004","0.0005","90","","107.065","0.0009","90","","472.78","0.06","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","neodymium iron indium germanide (4/2/1/4)","neodymium iron indium germanide (4/2/1/4)","","- Fe2 Ge4 In Nd4 -","- Fe2 Ge4 In0.987 Nd4 -","- Fe4 Ge8 In1.974 Nd8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0217","0.0168","","","0.0361","0.0373","","","","","","1.068","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342584","15.77","0.004","4.2745","0.0011","7.1211","0.0017","90","","107.011","0.003","90","","459","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","samarium iron indium germanide (4/2/1/4)","samarium iron indium germanide (4/2/1/4)","","- Fe2 Ge4 In Sm4 -","- Fe2 Ge4 In0.964 Sm4 -","- Fe4 Ge8 In1.928 Sm8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0254","0.0199","","","0.0396","0.0412","","","","","","1.073","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342585","15.672","0.003","4.2436","0.0008","7.0643","0.0013","90","","107.068","0.003","90","","449.12","0.15","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","gadolinium iron indium germanide (4/2/1/4)","gadolinium iron indium germanide (4/2/1/4)","","- Fe2 Gd4 Ge4 In -","- Fe2 Gd4 Ge4 In0.983 -","- Fe4 Gd8 Ge8 In1.966 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0473","0.0314","","","0.0631","0.0692","","","","","","1.016","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342586","15.9351","0.0014","4.3361","0.0004","7.2602","0.0006","90","","107.531","0.0012","90","","478.35","0.07","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cerium cobalt indium germanide (4/2/1/4)","cerium cobalt indium germanide (4/2/1/4)","","- Ce4 Co2 Ge4 In -","- Ce4 Co2 Ge4 In0.986 -","- Ce8 Co4 Ge8 In1.972 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0305","0.0218","","","0.0426","0.0451","","","","","","1.057","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342587","15.8705","0.0006","4.3247","0.0002","7.2264","0.0003","90","","107.511","0.0005","90","","473","0.03","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","praseodymium cobalt indium germanide (4/2/1/4)","praseodymium cobalt indium germanide (4/2/1/4)","","- Co2 Ge4 In Pr4 -","- Co2 Ge4 In0.985 Pr4 -","- Co4 Ge8 In1.97 Pr8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.019","0.0159","","","0.0337","0.0343","","","","","","1.112","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342588","15.7845","0.0009","4.3028","0.0003","7.1824","0.0004","90","","107.511","0.0008","90","","465.2","0.05","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","neodymium cobalt indium germanide (4/2/1/4)","neodymium cobalt indium germanide (4/2/1/4)","","- Co2 Ge4 In Nd4 -","- Co2 Ge4 In0.965 Nd4 -","- Co4 Ge8 In1.93 Nd8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0244","0.0185","","","0.0354","0.0366","","","","","","1.053","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342589","15.6336","0.0012","4.2723","0.0003","7.1131","0.0006","90","","107.642","0.001","90","","452.75","0.06","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","samarium cobalt indium germanide (4/2/1/4)","samarium cobalt indium germanide (4/2/1/4)","","- Co2 Ge4 In Sm4 -","- Co2 Ge4 In0.973 Sm4 -","- Co4 Ge8 In1.946 Sm8 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0182","0.0158","","","0.0328","0.0334","","","","","","1.104","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342590","15.548","0.006","4.2483","0.0016","7.058","0.003","90","","107.618","0.005","90","","444.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","gadolinium cobalt indium germanide (4/2/1/4)","gadolinium cobalt indium germanide (4/2/1/4)","","- Co2 Gd4 Ge4 In -","- Co2 Gd4 Ge4 In0.97 -","- Co4 Gd8 Ge8 In1.94 -","2","0.25","","Oliynyk, Anton O.; Stoyko, Stanislav S.; Mar, Arthur","Many Metals Make the Cut: Quaternary Rare-Earth Germanides RE4M2InGe4 (M = Fe, Co, Ni, Ru, Rh, Ir) and RE4RhInGe4 Derived from Excision of Slabs in RE2InGe2.","Inorganic chemistry","2015","54","6","2780","2792","10.1021/ic502955h","","","0.71073","MoKα","","0.0347","0.0256","","","0.0506","0.054","","","","","","1.011","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342591","7.643","0.0002","10.2671","0.0002","19.4735","0.0004","76.0598","0.0018","80.953","0.002","81.5397","0.0018","1455.11","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H80 Fe N14 O2 S2 -","- C58 H80 Fe N14 O2 S2 -","- C58 H80 Fe N14 O2 S2 -","1","0.5","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","1.54184","CuKα","","0.0464","0.0426","","","0.1387","0.1403","","","","","","1.214","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342592","7.6748","0.0003","10.3897","0.0005","19.8639","0.0009","78.447","0.004","79.835","0.003","80.862","0.003","1514.91","0.12","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H80 Fe N14 O2 S2 -","- C58 H80 Fe N14 O2 S2 -","- C58 H80 Fe N14 O2 S2 -","1","0.5","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","1.5418","CuKα","","0.1102","0.0892","","","0.2226","0.2568","","","","","","1.02","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342593","11.3784","0.0003","12.1968","0.0003","21.7151","0.001","95.764","0.003","92.987","0.003","95.902","0.002","2976.55","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H24 F23 Fe N12 S2 -","- C49 H24 F23 Fe N12 S2 -","- C98 H48 F46 Fe2 N24 S4 -","2","1","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","0.71073","MoKα","","0.1313","0.089","","","0.2342","0.2506","","","","","","1.352","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342594","11.5391","0.0008","12.3595","0.0007","21.8944","0.0016","94.964","0.005","92.698","0.006","95.285","0.005","3092.8","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 F12 Fe N12 S2 -","- C44 H24 F12 Fe N12 S2 -","- C88 H48 F24 Fe2 N24 S4 -","2","1","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","0.71073","MoKα","","0.2226","0.1346","","","0.3632","0.4098","","","","","","1.065","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342595","8.8809","0.0003","9.824","0.0002","19.9447","0.0007","78.955","0.002","84.066","0.003","69.81","0.003","1601.61","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H30 F34 Fe N12 O2 S2 -","- C55 H30 F34 Fe N12 O2 S2 -","- C55 H30 F34 Fe N12 O2 S2 -","1","0.5","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","0.71073","MoKα","","0.0441","0.0429","","","0.1927","0.1947","","","","","","1.84","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342596","8.8751","0.0003","9.8138","0.0002","19.9501","0.0007","78.968","0.002","84.008","0.003","69.848","0.003","1599.71","0.09","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H30 F34 Fe N12 O2 S2 -","- C55 H30 F34 Fe N12 O2 S2 -","- C55 H30 F34 Fe N12 O2 S2 -","1","0.5","","Feltham, Humphrey L. C.; Johnson, Chloe; Elliott, Anastasia B. S.; Gordon, Keith C.; Albrecht, Martin; Brooker, Sally","""Tail"" Tuning of Iron(II) Spin Crossover Temperature by 100 K.","Inorganic chemistry","2015","54","6","2902","2909","10.1021/ic503040f","","","0.71073","MoKα","","0.0415","0.0403","","","0.1078","0.1088","","","","","","1.109","","","","has coordinates,has disorder","179528","2020-10-21","18:00:00",""
"4342597","13.089","0.0006","17.6638","0.0007","19.2166","0.0008","90","","100.346","0.001","90","","4370.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 Al N4 V -","- C46 H64 Al N4 V -","- C184 H256 Al4 N16 V4 -","4","1","","Thompson, Rick; Tran, Ba L.; Ghosh, Soumya; Chen, Chun-Hsing; Pink, Maren; Gao, Xinfeng; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Addition of Si‒H and B‒H Bonds and Redox Reactivity Involving Low-Coordinate Nitrido‒Vanadium Complexes","Inorganic Chemistry","2015","","","150302094058008","","10.1021/acs.inorgchem.5b00302","","","0.41328","synchrotron","","0.0754","0.0535","","","0.1534","0.177","","","","","","1.137","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342598","7.724904","0.00007","8.115684","0.000068","5.698222","0.000056","90","","90","","90","","357.238","0.006","300","","300","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al4 Bi2 O9 -","- Al4 Bi2 O9 -","- Al8 Bi4 O18 -","2","0.25","","Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin","Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.","Inorganic chemistry","2015","54","4","1876","1882","10.1021/ic502779d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.81","2.706","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4342599","7.89343","0.00012","8.26181","0.00012","5.855092","0.000094","90","","90","","90","","381.834","0.01","300","","300","","","","","","","","","4","P b a m","-P 2 2ab","55","","","Bi2 Ga3 Al O9","- Al Bi2 Ga3 O9 -","- Al Bi2 Ga3 O9 -","- Al2 Bi4 Ga6 O18 -","2","0.25","","Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin","Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.","Inorganic chemistry","2015","54","4","1876","1882","10.1021/ic502779d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.85","2.369","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342600","7.83649","0.00018","8.20994","0.00018","5.79503","0.00014","90","","90","","90","","372.835","0.015","300","","300","","","","","","","","","4","P b a m","-P 2 2ab","55","","","Bi2 Ga2 Al2 O9","- Al2 Bi2 Ga2 O9 -","- Al2 Bi2 Ga2 O9 -","- Al4 Bi4 Ga4 O18 -","2","0.25","","Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin","Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.","Inorganic chemistry","2015","54","4","1876","1882","10.1021/ic502779d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.17","2.672","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342601","7.77916","0.00024","8.162","0.00023","5.74297","0.00017","90","","90","","90","","364.641","0.019","300","","300","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al3 Bi2 Ga O9 -","- Al3 Bi2 Ga O9 -","- Al6 Bi4 Ga2 O18 -","2","0.25","","Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin","Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.","Inorganic chemistry","2015","54","4","1876","1882","10.1021/ic502779d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.13","3.145","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4342602","7.929738","0.000072","8.305088","0.000073","5.898189","0.00005","90","","90","","90","","388.438","0.006","300","","300","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi2 Ga4 O9 -","- Bi2 Ga4 O9 -","- Bi4 Ga8 O18 -","2","0.25","","Liu, Chengyin; Xia, Zhiguo; Chen, Mingyue; Molokeev, Maxim S.; Liu, Quanlin","Near-Infrared Luminescence and Color Tunable Chromophores Based on Cr(3+)-Doped Mullite-Type Bi2(Ga,Al)4O9 Solid Solutions.","Inorganic chemistry","2015","54","4","1876","1882","10.1021/ic502779d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","2.331","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4342603","30.55","0.02","11.514","0.008","10.562","0.007","90","","97.58","0.013","90","","3683","4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C25 H57 B11 Na O8 -","- C25 H51 B11 Na O8 -","- C100 H204 B44 Na4 O32 -","4","0.5","","Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei","Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.","Inorganic chemistry","2015","54","4","1965","1973","10.1021/ic502866h","","","0.71073","MoKα","","0.1213","0.0881","","","0.2227","0.248","","","","","","1.093","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342604","31.94","0.015","11.552","0.005","10.369","0.005","90","","101.995","0.011","90","","3742","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H59 B11 Na O8 -","- C26 H51 B11 Na O8 -","- C104 H204 B44 Na4 O32 -","4","0.5","","Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei","Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.","Inorganic chemistry","2015","54","4","1965","1973","10.1021/ic502866h","","","0.71073","MoKα","","0.1688","0.1384","","","0.4409","0.4853","","","","","","2.018","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342605","9.8055","0.001","12.1666","0.0013","34.318","0.004","90","","90","","90","","4094.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H63 B11 Na O8 -","- C32 H63 B11 Na O8 -","- C128 H252 B44 Na4 O32 -","4","1","","Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei","Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.","Inorganic chemistry","2015","54","4","1965","1973","10.1021/ic502866h","","","0.71073","MoKα","","0.1104","0.0887","","","0.2382","0.2608","","","","","","1.019","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342606","16.9269","0.0007","18.7867","0.0006","19.4285","0.0007","107.755","0.0018","93.746","0.0018","91.4929","0.0019","5864.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H90 B N3 O2 Si6 U -","- C50 H90 B N3 O2 Si6 U -","- C200 H360 B4 N12 O8 Si24 U4 -","4","2","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0663","0.0335","","","0.0657","0.0717","","","","","","0.943","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342607","18.4684","0.0006","18.4684","0.0006","16.9719","0.001","90","","90","","120","","5013.3","0.4","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19 H54 N4 Si6 U -","- C19 H54 N4 Si6 U -","- C114 H324 N24 Si36 U6 -","6","0.333333","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0753","0.0381","","","0.0716","0.0793","","","","","","0.936","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342608","18.4359","0.0003","18.4359","0.0003","16.9152","0.0004","90","","90","","120","","4978.93","0.16","150","2","150","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Cl N3 Si6 U -","- C18 H54 Cl N3 Si6 U -","- C108 H324 Cl6 N18 Si36 U6 -","6","0.333333","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0334","0.0278","","","0.0715","0.0736","","","","","","1.064","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342609","11.9323","0.0005","12.1577","0.0008","12.7144","0.0008","87.839","0.003","87.957","0.004","89.746","0.004","1841.98","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H54 F3 N3 O3 S Si6 U -","- C19 H54 F3 N3 O3 S Si6 U -","- C38 H108 F6 N6 O6 S2 Si12 U2 -","2","1","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0342","0.0269","","","0.0637","0.0656","","","","","","0.993","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342610","11.2771","0.0006","11.4316","0.0005","11.6871","0.0007","80.495","0.003","88.841","0.002","62.631","0.003","1316.96","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H70 F6 N4 O6 S2 Si8 U2 -","- C26 H70 F6 N4 O6 S2 Si8 U2 -","- C26 H70 F6 N4 O6 S2 Si8 U2 -","1","0.5","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0418","0.0311","","","0.0642","0.0666","","","","","","0.984","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342611","11.8587","0.001","11.991","0.001","12.5171","0.0009","92.187","0.005","104.462","0.005","114.001","0.004","1554.7","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H86 F6 N4 O8 S2 Si8 U2 -","- C34 H86 F6 N4 O8 S2 Si8 U2 -","- C34 H86 F6 N4 O8 S2 Si8 U2 -","1","0.5","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0553","0.0478","","","0.1246","0.1279","","","","","","1.089","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342612","15.557","0.001","16.0199","0.001","19.1374","0.0017","81.057","0.005","89.273","0.005","67.531","0.004","4348.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H133 B N7 O0.5 Si12 U2 -","- C63 H133 B N7 O0.5 Si12 U2 -","- C126 H266 B2 N14 O Si24 U4 -","2","1","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0796","0.0506","","","0.1067","0.1144","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342613","19.4829","0.001","11.9358","0.0007","24.815","0.0009","90","","108.71","0.003","90","","5465.6","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H86 K N5 O4 Si6 U -","- C36 H86 K N5 O4 Si6 U -","- C144 H344 K4 N20 O16 Si24 U4 -","4","0.5","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0712","0.0438","","","0.0981","0.1065","","","","","","0.989","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342614","11.4734","0.0009","18.469","0.002","13.0501","0.0014","90","","110.476","0.007","90","","2590.6","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H78 K N5 O6 Si6 U -","- C32 H78 K N5 O6 Si6 U -","- C64 H156 K2 N10 O12 Si12 U2 -","2","1","","Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.","Inorganic chemistry","2015","54","5","2474","","10.1021/acs.inorgchem.5b00034","","","0.71073","MoKα","","0.0736","0.0575","","","0.1339","0.1421","","","","","","1.032","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342615","15.3843","0.0002","11.5872","0.0001","13.4949","0.0002","90","","101.713","0.001","90","","2355.52","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 O10 Th -","- C22 H22 N2 O10 Th -","- C88 H88 N8 O40 Th4 -","4","0.5","","Falaise, Clément; Charles, Jean-Sébastien; Volkringer, Christophe; Loiseau, Thierry","Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System.","Inorganic chemistry","2015","54","5","2235","","10.1021/ic502725y","","","0.71073","MoKα","","0.0318","0.0242","","","0.0531","0.0557","","","","","","1.069","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342616","21.9606","0.0013","21.9606","0.0013","21.9606","0.0013","90","","90","","90","","10590.9","1.1","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C48 H24 O38 Th6 -","- C48 H24 O38 Th6 -","- C192 H96 O152 Th24 -","4","0.0208333","","Falaise, Clément; Charles, Jean-Sébastien; Volkringer, Christophe; Loiseau, Thierry","Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System.","Inorganic chemistry","2015","54","5","2235","","10.1021/ic502725y","","","0.71073","MoKα","","0.033","0.0293","","","0.1154","0.1183","","","","","","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342617","7.302","0.002","7.302","0.002","21.763","0.009","90","","90","","90","","1160.4","0.7","350","2","350","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.25","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0867","0.0652","","","0.213","0.2424","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342618","7.1404","0.0006","7.3032","0.0006","21.6631","0.0019","90","","90","","90","","1129.68","0.17","110","2","110","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0643","0.0632","","","0.1815","0.1836","","","","","","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342619","7.224","0.005","7.284","0.005","21.677","0.015","90","","90","","90","","1140.6","1.4","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1012","0.0852","","","0.2254","0.2483","","","","","","1.075","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342620","7.101","","7.298","","21.66","","90","","90","","90","","1122.49","","110","2","110","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1004","0.0936","","","0.3117","0.3161","","","","","","2.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342621","5.2023","0.0017","5.2023","0.0017","21.933","0.007","90","","90","","90","","593.6","0.3","383","2","383","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C4 H16 Cl4 Fe N2 -","- C4 Cl4 Fe N2 -","- C8 Cl8 Fe2 N4 -","2","0.0625","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0627","0.0614","","","0.1552","0.1575","","","","","","1.2","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342622","7.263","0.003","7.31","0.003","21.739","0.008","90","","90","","90","","1154.2","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0662","0.0526","","","0.1181","0.128","","","","","","1.033","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342623","7.142","0.007","21.7","0.02","7.305","0.007","90","","90.016","0.01","90","","1132.1","1.9","10","2","10","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0778","0.0741","","","0.2016","0.2054","","","","","","1.147","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342624","7.103","0.004","7.311","0.004","21.688","0.013","90","","90","","90","","1126.3","1.1","92","2","92","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0996","0.0943","","","0.2793","0.2823","","","","","","1.258","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342625","7.185","0.006","7.252","0.006","21.683","0.017","90","","90","","90","","1129.8","1.6","97","2","97","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1525","0.1453","","","0.3244","0.3273","","","","","","1.279","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342626","7.206","0.005","7.283","0.005","21.746","0.015","90","","90","","90","","1141.3","1.4","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1373","0.1317","","","0.2903","0.2923","","","","","","1.363","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342627","6.745","0.0002","7.3199","0.0002","23.921","0.0009","90","","90","","90","","1181.04","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.0363","0.0323","","","0.0733","0.076","","","","","","1.087","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342628","10.9404","0.0002","14.2532","0.0002","20.8005","0.0004","90","","101.441","0.002","90","","3179.09","0.1","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C116 H108 Cl8 F24 N16 O8 P4 Ru4 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.066","0.048","","","0.1232","0.1367","","","","","","1.027","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342629","21.6534","0.0003","8.8421","0.0001","17.9476","0.0003","90","","105.063","0.002","90","","3318.21","0.09","226","2","226","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C116 H108 Cl8 F24 N16 O8 P4 Ru4 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.0323","0.0301","","","0.0753","0.0772","","","","","","1.035","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342630","21.565","0.0002","8.796","0.0001","17.914","0.0002","90","","105.105","0.001","90","","3280.63","0.06","223","2","223","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C29 H27 Cl2 F6 N4 O2 P Ru S -","- C116 H108 Cl8 F24 N16 O8 P4 Ru4 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.042","0.0416","","","0.1149","0.1155","","","","","","1.103","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342631","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H158.12 Br Cr Mo6 N5 O25.56 -","- C136 H316.24 Br2 Cr2 Mo12 N10 O51.12 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342632","16.5994","0.0003","26.2375","0.0006","22.12","0.0004","90","","91.7125","0.0017","90","","9629.5","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H162 Br2 Cr Mo6 N5 O24 -","- C70 H162 Br2 Cr Mo6 N5 O24 -","- C280 H648 Br8 Cr4 Mo24 N20 O96 -","4","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","0.71073","MoKα","","0.0532","0.0489","","","0.0893","0.1086","","","","","","1.029","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342633","16.1269","0.0013","15.5347","0.0006","17.989","0.0008","90","","93.043","0.007","90","","4500.4","0.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H155 Br Mn Mo6 N5 O24 -","- C68 H155 Br Mn Mo6 N5 O24 -","- C136 H310 Br2 Mn2 Mo12 N10 O48 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","0.71073","MoKα","","0.0407","0.0375","","","0.0778","0.0821","","","","","","1.048","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342634","15.9787","0.0003","15.8012","0.0003","18.1275","0.0003","90","","93.177","0.0018","90","","4569.84","0.14","103","9","103","9","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H158 Al Br Mo6 N4 O24 -","- C70 H157 Al Br Mo6 N4 O24 -","- C140 H314 Al2 Br2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0565","0.0445","","","0.0841","0.107","","","","","","1.018","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342635","13.5976","0.0002","49.5568","0.0007","25.342","0.0004","90","","90","","90","","17076.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C125 H275 Cr2 Mo12 N11 O51 -","- C125 H270.5 Cr2 Mo12 N11 O51 -","- C500 H1082 Cr8 Mo48 N44 O204 -","4","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.06","0.0526","","","0.1013","0.1062","","","","","","1.112","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342636","13.7969","0.0002","49.1579","0.0007","25.2437","0.0004","90","","90","","90","","17120.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H146 Mn Mo6 N6 O26 -","- C64 H140.5 Mn Mo6 N6 O26 -","- C512 H1124 Mn8 Mo48 N48 O208 -","8","2","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0547","0.0513","","","0.109","0.1012","","","","","","1.051","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342637","13.6974","0.0002","49.357","0.0007","25.1423","0.0004","90","","90","","90","","16997.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62.5 H137.5 Al Mo6 N5.5 O25.5 -","- C62.5 H137.5 Al Mo6 N5.5 O25.5 -","- C500 H1100 Al8 Mo48 N44 O204 -","8","2","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0525","0.0498","","","0.0974","0.1018","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342638","4.217","0.005","14.409","0.016","7.335","0.008","90","","90","","90","","445.7","0.9","296","2","296","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg S2 -","- Ba Hg S2 -","- Ba4 Hg4 S8 -","4","1","","Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua","Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.","Inorganic chemistry","2015","54","6","2772","2779","10.1021/ic502939g","","","0.71073","MoKα","","0.0479","0.0318","","","0.0537","0.0581","","","","","","0.919","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342639","9.051","0.009","4.419","0.004","17.55","0.017","90","","90","","90","","701.9","1.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba8 Hg4 S5 Se7 -","- Ba8 Hg4 S4.968 Se7.032 -","- Ba8 Hg4 S4.968 Se7.032 -","1","0.125","","Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua","Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.","Inorganic chemistry","2015","54","6","2772","2779","10.1021/ic502939g","","","0.71073","MoKα","","0.0461","0.0317","","","0.0621","0.0677","","","","","","1.044","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342640","5.62803","0.00064","8.4717","0.0014","10.317","0.0019","76.7846","0.0097","87.54","0.015","73.483","0.017","458.99","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Co N4 O2 S2 -","- C16 H14 Co N4 O2 S2 -","- C16 H14 Co N4 O2 S2 -","1","0.5","","Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Runčevski, Tomče; Dinnebier, Robert E.; Suckert, Stefan; Näther, Christian","Thermodynamically metastable thiocyanato coordination polymer that shows slow relaxations of the magnetization.","Inorganic chemistry","2015","54","6","2893","2901","10.1021/ic503029t","powder diffraction","x-ray","1.5406","","","","","","","","","","0.25","0.72","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342641","9.5315","0.0003","15.8242","0.0004","24.3712","0.0006","90","","90","","90","","3675.87","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Co N4 O2 S2 -","- C16 H14 Co N4 O2 S2 -","- C128 H112 Co8 N32 O16 S16 -","8","1","","Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Runčevski, Tomče; Dinnebier, Robert E.; Suckert, Stefan; Näther, Christian","Thermodynamically metastable thiocyanato coordination polymer that shows slow relaxations of the magnetization.","Inorganic chemistry","2015","54","6","2893","2901","10.1021/ic503029t","","","0.71073","MoKα","","0.0677","0.0539","","","0.0921","0.0962","","","","","","1.262","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342642","22.365","0.008","16.166","0.006","15.755","0.006","90","","110.24","0.007","90","","5345","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl2 N4 Ni2 S2 -","- C54 H72 Cl2 N4 Ni2 S2 -","- C216 H288 Cl8 N16 Ni8 S8 -","4","1","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.1866","0.1087","","","0.2264","0.2601","","","","","","1.042","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342643","14.9869","0.0006","15.7096","0.0007","18.9277","0.0008","90","","90","","90","","4456.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 N3 Ni O S2 -","- C42 H59 N3 Ni O S2 -","- C168 H236 N12 Ni4 O4 S8 -","4","1","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.0829","0.061","","","0.1308","0.1402","","","","","","1.052","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342644","12.4795","0.0005","18.3976","0.0007","16.8933","0.0006","90","","93.9125","0.0012","90","","3869.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 Cl2 N3 Ni -","- C38 H51 Cl2 N3 Ni -","- C152 H204 Cl8 N12 Ni4 -","4","1","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.051","0.0326","","","0.0764","0.0828","","","","","","1.03","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342645","18.0741","0.001","15.2541","0.0009","18.7632","0.0012","90","","94.017","0.002","90","","5160.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N4 Ni2 S2 -","- C54 H72 N4 Ni2 S2 -","- C216 H288 N16 Ni8 S8 -","4","1","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.0456","0.0311","","","0.0691","0.0749","","","","","","1.03","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342646","23.8714","0.0009","12.3451","0.0005","19.5255","0.0013","90","","118.087","0.001","90","","5076.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 N4 Ni2 S2 -","- C54 H74 N4 Ni2 S2 -","- C216 H296 N16 Ni8 S8 -","4","0.5","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.0297","0.0273","","","0.0715","0.0736","","","","","","1.083","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342647","15.3144","0.0016","29.19","0.004","22.497","0.002","90","","108.001","0.012","90","","9565","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H110 Dy2 Fe4 N5 O26 -","- C90 H110 Dy2 Fe4 N5 O26 -","- C360 H440 Dy8 Fe16 N20 O104 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.","Developing a ""Highway Code"" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.","Inorganic chemistry","2015","54","7","3218","3227","10.1021/ic502809y","","","0.71073","MoKα","","0.0754","0.0439","","","0.1013","0.1104","","","","","","0.894","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342648","14.0948","0.0011","16.852","0.0013","29.6754","0.0019","89.624","0.006","87.037","0.006","73.68","0.006","6755.4","0.9","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C130 H159 Dy4 Fe4 N5 O36 -","- C130 H159 Dy4 Fe4 N5 O36 -","- C260 H318 Dy8 Fe8 N10 O72 -","2","1","","Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.","Developing a ""Highway Code"" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.","Inorganic chemistry","2015","54","7","3218","3227","10.1021/ic502809y","","","0.71073","MoKα","","0.0969","0.0597","","","0.153","0.1684","","","","","","0.9","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342649","24.201","0.003","24.201","0.003","36.77","0.005","90","","90","","120","","18651","4","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C134 H150 Dy4 Fe4 N16 O33 -","- C108 H111 Dy4 Fe4 N3 O33 -","- C648 H666 Dy24 Fe24 N18 O198 -","6","0.333333","","Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.","Developing a ""Highway Code"" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.","Inorganic chemistry","2015","54","7","3218","3227","10.1021/ic502809y","","","0.71073","MoKα","","0.0719","0.0431","","","0.0963","0.1051","","","","","","0.888","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342650","16.1438","0.0006","21.3375","0.0005","36.2966","0.0014","90","","90.331","0.003","90","","12502.8","0.7","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C122 H138 Dy4 Fe4 N4 O33 -","- C122 H138 Dy4 Fe4 N4 O33 -","- C488 H552 Dy16 Fe16 N16 O132 -","4","1","","Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.","Developing a ""Highway Code"" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.","Inorganic chemistry","2015","54","7","3218","3227","10.1021/ic502809y","","","0.71073","MoKα","","0.0408","0.0263","","","0.0574","0.06","","","","","","0.921","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342651","6.9474","0.0001","13.2522","0.0002","14.1927","0.0002","90","","90","","90","","1306.7","0.03","150","","150","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Routledge, Jack D.; Jones, Michael W.; Faulkner, Stephen; Tropiano, Manuel","Kinetically Stable Lanthanide Complexes Displaying Exceptionally High Quantum Yields upon Long-Wavelength Excitation: Synthesis, Photophysical Properties, and Solution Speciation.","Inorganic chemistry","2015","54","7","3337","3345","10.1021/ic503049m","","","0.71073","MoKα","","0.0461","0.0362","","0.0841","0.0735","0.0841","","","","","","1.0005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342652","7.507","0.003","9.79","0.005","10.442","0.005","63.75","0.013","71.023","0.012","75.947","0.013","646.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 F6 N4 Ni0.5 P -","- C9 H12 F6 N4 Ni0.5 P -","- C18 H24 F12 N8 Ni P2 -","2","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","","0.71073","MoKα","","0.0265","0.0238","","","0.058","0.0594","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342653","9.4116","0.0004","9.954","0.0004","11.2819","0.0004","109.69","0.002","101.917","0.002","106.568","0.002","898.6","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 F6 N4 Ni0.5 P -","- C17 H16 F6 N4 Ni0.5 P -","- C34 H32 F12 N8 Ni P2 -","2","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","","1.54178","CUKα","","0.0477","0.0395","","","0.1022","0.108","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342654","10.0899","0.0006","10.6066","0.0008","21.3352","0.0016","90","","90","","90","","2283.3","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N8 Ni O -","- C22 H32 N8 Ni O -","- C88 H128 N32 Ni4 O4 -","4","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","","0.71073","MoKα","","0.0612","0.0426","","","0.0798","0.0866","","","","","","0.999","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342655","10.5571","0.0012","15.6353","0.0017","37.582","0.004","90","","90","","90","","6203.4","1.2","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N8 Ni O0.5 -","- C36 H36 N8 Ni O0.5 -","- C288 H288 N64 Ni8 O4 -","8","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","x-ray","0.71073","MoKα","K-L~3~","0.0722","0.0399","","","0.0874","0.1059","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342656","13.997","0.0011","34.249","0.003","25.491","0.002","90","","90","","90","","12220","1.7","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C84 H165.1 Cl4 Cr4 La4 N8.7 O37.1 -","- C84 H165.1 Cl4 Cr4 La4 N8.7 O37.1 -","- C336 H660.4 Cl16 Cr16 La16 N34.8 O148.4 -","4","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.1224","0.0867","","","0.2138","0.2305","","","","","","1.216","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342657","15.6834","0.0008","16.2908","0.0009","29.2873","0.0016","79.141","0.001","82.066","0.001","72.484","0.001","6981.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H178 Ce4 Cl12 Cr4 N10 O38 -","- C85 H166 Ce4 Cl2 Cr4 N10 O38 -","- C170 H332 Ce8 Cl4 Cr8 N20 O76 -","2","1","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0505","0.0434","","","0.1252","0.1297","","","","","","1.094","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342658","15.6412","0.0012","16.349","0.0012","29.309","0.002","79.574","0.001","81.92","0.001","72.457","0.001","6998.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H178.1 Cl14 Cr4 N9.7 Nd4 O37.1 -","- C86 H168.1 Cl4 Cr4 N9.7 Nd4 O37.1 -","- C172 H336.2 Cl8 Cr8 N19.4 Nd8 O74.2 -","2","1","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0704","0.0603","","","0.1528","0.1581","","","","","","1.064","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342659","15.7763","0.0003","28.1989","0.0007","28.7364","0.0006","90","","104.884","0.002","90","","12355.2","0.5","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H169.8 Cl Cr4 N10.6 O37.3 Sm4 -","- C87.5 H165.3 Cl Cr4 N10.6 O37.3 Sm4 -","- C350 H661.2 Cl4 Cr16 N42.4 O149.2 Sm16 -","4","1","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.074","0.0512","","","0.1212","0.1306","","","","","","1.048","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342660","16.7589","0.0009","17.6193","0.0012","29.0508","0.0018","90","","90.682","0.005","90","","8577.5","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H128.64 Cr3 Dy3 N4.08 O26.64 -","- C64 H128.64 Cr3 Dy3 N4.08 O26.64 -","- C256 H514.56 Cr12 Dy12 N16.32 O106.56 -","4","1","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0976","0.0616","","","0.1387","0.1526","","","","","","0.962","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342661","15.7404","0.0008","16.2104","0.0008","19.6147","0.001","107.23","0.001","102.43","0.001","109.87","0.001","4208.4","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H124.5 Cl2 Cr3 Ho3 N4.5 O27.5 -","- C57 H115 Cl2 Cr3 Ho3 N4.5 O27.5 -","- C114 H230 Cl4 Cr6 Ho6 N9 O55 -","2","2","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0268","0.0256","","","0.0662","0.0668","","","","","","1.043","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342662","16.704","0.0003","17.6682","0.0005","29.2041","0.0006","90","","90.581","0.002","90","","8618.6","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H129 Cr3 N3 O27 Y3 -","- C64 H129 Cr3 N3 O27 Y3 -","- C256 H516 Cr12 N12 O108 Y12 -","4","1","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.1227","0.065","","","0.1357","0.1572","","","","","","0.954","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342663","10.9914","0.0004","10.8331","0.0004","24.3542","0.0008","90","","90.575","0.001","90","","2899.73","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.7 H77.7 Cl0.6 Cr2 Er2 N5.7 O20 -","- C39.7 H72 Cl0.6 Cr2 Er2 N5.7 O20 -","- C79.4 H144 Cl1.2 Cr4 Er4 N11.4 O40 -","2","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0224","0.0216","","","0.0531","0.0535","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342664","11.0511","0.0007","10.9817","0.0009","24.5425","0.0015","90","","91.002","0.006","90","","2978","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H77.5 Cl Cr2 N5.5 O20 Tm2 -","- C39.5 H72 Cl Cr2 N5.5 O20 Tm2 -","- C79 H144 Cl2 Cr4 N11 O40 Tm4 -","2","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0475","0.0447","","","0.1256","0.128","","","","","","1.054","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342665","11.0414","0.0007","10.9972","0.0008","24.5121","0.0013","90","","91.06","0.007","90","","2975.9","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H77.5 Cl Cr2 N5.5 O20 Yb2 -","- C39.5 H72 Cl Cr2 N5.5 O20 Yb2 -","- C79 H144 Cl2 Cr4 N11 O40 Yb4 -","2","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.044","0.037","","","0.0989","0.1024","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342666","10.9522","0.0005","10.8571","0.0005","24.2846","0.0011","90","","91.046","0.001","90","","2887.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.78 H77.78 Cl0.44 Cr2 Lu2 N5.78 O20 -","- C39.78 H77.78 Cl0.44 Cr2 Lu2 N5.78 O20 -","- C79.56 H155.56 Cl0.88 Cr4 Lu4 N11.56 O40 -","2","0.5","","Rinck, Julia; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","[In Process Citation].","Inorganic chemistry","2015","54","7","3107","3117","10.1021/ic502930p","","","0.71073","MoKα","","0.0203","0.0202","","","0.0495","0.0495","","","","","","1.178","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342667","17.49","0.004","17.847","0.004","26.047","0.005","90","","93.13","0.03","90","","8118","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H111 K2 O12 Si8 Tm -","- C55 H111 K2 O12 Si8 Tm -","- C220 H444 K8 O48 Si32 Tm4 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","0.71073","MoKα","","0.0684","0.0607","","","0.1676","0.1748","","","","","","1.103","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342668","17.423","0.004","17.888","0.004","26.118","0.005","90","","92.45","0.03","90","","8133","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H110.5 Ho K2 O12 Si8 -","- C55 H110.3 Ho K2 O12 Si8 -","- C220 H441.2 Ho4 K8 O48 Si32 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","0.71073","MoKα","","0.083","0.0644","","","0.1603","0.1694","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342669","13.355","0.003","19.038","0.004","19.563","0.004","70.3","0.03","77.9","0.03","88.55","0.03","4573","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H143 K2 O16 Si8 Tb -","- C71 H143 K2 O16 Si8 Tb -","- C142 H286 K4 O32 Si16 Tb2 -","2","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","0.71073","MoKα","","0.0838","0.0748","","","0.1481","0.1516","","","","","","1.268","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342670","17.414","0.004","17.898","0.004","26.182","0.005","90","","92.26","0.03","90","","8154","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H111 Gd K2 O12 Si8 -","- C55 H111 Gd K2 O12 Si8 -","- C220 H444 Gd4 K8 O48 Si32 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","0.71073","MoKα","","0.0753","0.0542","","","0.1309","0.14","","","","","","1.053","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342671","13.057","0.003","14.966","0.003","15.668","0.003","95.37","0.03","113.07","0.03","108.67","0.03","2583","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H154 Ce2 K2 O14 Si8 -","- C90 H154 Ce2 K2 O14 Si8 -","- C90 H154 Ce2 K2 O14 Si8 -","1","0.5","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","0.71073","MoKα","","0.0493","0.0394","","","0.0842","0.0874","","","","","","1.008","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342672","14.24887","0.00019","16.5538","0.0002","16.6349","0.0002","90","","92.5232","0.0012","90","","3919.92","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 N2 O Si Sm -","- C39 H62 N2 O Si Sm -","- C156 H248 N8 O4 Si4 Sm4 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","1.54184","CuKα","","0.0772","0.0686","","","0.1723","0.182","","","","","","1.09","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342673","10.8047","0.0003","14.4714","0.0004","28.0424","0.0008","90","","90","","90","","4384.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H66 N2 O Si Sm -","- C45 H66 N2 O Si Sm -","- C180 H264 N8 O4 Si4 Sm4 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","1.54184","CuKα","","0.0809","0.0693","","","0.1673","0.1778","","","","","","1.039","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342674","15.499","0.0008","16.0862","0.001","19.1763","0.001","66.042","0.006","68.459","0.005","61.546","0.006","3750.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H110 I N2 O Si Sm2 -","- C77 H110 I N2 O Si Sm2 -","- C154 H220 I2 N4 O2 Si2 Sm4 -","2","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","1.54184","CuKα","","0.0838","0.0588","","","0.1347","0.1477","","","","","","0.987","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342675","17.658","0.0011","9.1133","0.0006","29.517","0.002","90","","97.387","0.003","90","","4710.5","0.5","304","2","304","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H70 Co9 N6 O50 P6 -","- C84 H54 Co9 N6 O50 P6 -","- C168 H108 Co18 N12 O100 P12 -","2","0.5","","Li, Bao; Li, Zhao; Wei, Rong-Jia; Yu, Fan; Chen, Xi; Xie, Yun-Peng; Zhang, Tian-le; Tao, Jun","A three-dimensional complex with a one-dimensional cobalt-hydroxyl chain based on planar nonanuclear clusters showing spin-canted antiferromagnetism.","Inorganic chemistry","2015","54","7","3331","3336","10.1021/ic503041b","","","0.71073","MoKα","","0.1502","0.0599","","","0.112","0.136","","","","","","0.991","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342676","51.07","0.0012","51.07","0.0014","29.743","0.0014","90","","90","","120","","67181","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H96 N12 O58 Zn16 -","- C168 H84 N12 O58 Zn16 -","- C1008 H504 N72 O348 Zn96 -","6","0.333333","","Xie, Wei; Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Bao, Shao-Juan; Li, Jing; Su, Zhong-Min; He, Wen-Wen; Fu, Qiang; Lan, Ya-Qian","Stable luminescent metal-organic frameworks as dual-functional materials to encapsulate ln(3+) ions for white-light emission and to detect nitroaromatic explosives.","Inorganic chemistry","2015","54","7","3290","3296","10.1021/ic5029383","","","0.71069","MoKα","","0.1151","0.0617","","","0.1126","0.1183","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342677","17.8729","0.0004","18.8767","0.0004","19.5847","0.0004","90","","90","","90","","6607.5","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O P2 -","- C29 H34 F12 Fe N5 O P2 -","- C232 H272 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.0481","0.0361","","","0.0967","0.101","","","","","","1.068","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342678","17.9819","0.001","18.766","0.0007","19.7676","0.001","90","","90","","90","","6670.5","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H36 F12 Fe N5 O P2 -","- C30 H36 F12 Fe N5 O P2 -","- C240 H288 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.54184","CuKα","","0.0702","0.0584","","","0.1137","0.1228","","","","","","1.082","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342679","18.4705","0.0009","19.564","0.003","19.9882","0.0011","90","","90","","90","","7222.9","1.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1037","0.0547","","","0.1216","0.1486","","","","","","1.011","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342680","18.2901","0.0003","18.8688","0.0004","19.7237","0.0003","90","","90","","90","","6806.9","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.05","0.0352","","","0.08","0.0879","","","","","","1.054","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342681","18.3097","0.0004","19.0793","0.0005","20.1284","0.0005","90","","90","","90","","7031.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H36 F12 Fe N5 O P2 -","- C30 H36 F12 Fe N5 O P2 -","- C240 H288 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.5418","CuKα","","0.0884","0.0598","","","0.1385","0.1543","","","","","","1.04","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342682","18.3065","0.0004","19.1694","0.0005","19.7073","0.0005","90","","90","","90","","6915.8","0.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.54184","CuKα","","0.0414","0.0337","","","0.0889","0.0915","","","","","","1.062","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342683","17.9081","0.0003","18.9837","0.0004","19.48","0.0004","90","","90","","90","","6622.5","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O2 P2 -","- C29 H34 F12 Fe N5 O2 P2 -","- C232 H272 F96 Fe8 N40 O16 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.061","0.0451","","","0.1103","0.1207","","","","","","1.035","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342684","17.991","0.003","19.1695","0.0013","19.9287","0.0011","90","","90","","90","","6873","1.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O P2 -","- C29 H34 F12 Fe N5 O P2 -","- C232 H272 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.161","0.0735","","","0.1773","0.237","","","","","","1.017","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342685","18.5147","0.0008","19.2407","0.0007","20.005","0.0009","90","","90","","90","","7126.5","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1266","0.0611","","","0.1256","0.1608","","","","","","1.016","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342686","18.0743","0.0008","19.245","0.001","19.7958","0.0008","90","","90","","90","","6885.8","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O2 P2 -","- C29 H34 F12 Fe N5 O2 P2 -","- C232 H272 F96 Fe8 N40 O16 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1153","0.0673","","","0.1678","0.2008","","","","","","1.034","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342687","25.339","0.011","14.944","0.006","19.147","0.008","90","","93.844","0.005","90","","7234","5","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","Sm@C76/NiOEP/0.86(bz)0.14(CF)","","","- C114.75 H46.75 Cl2 N4 Ni Sm -","- C114.879 H46.879 Cl1.869 N4 Ni Sm -","- C459.516 H187.516 Cl7.476 N16 Ni4 Sm4 -","4","1","","Hao, Yajuan; Feng, Lai; Xu, Wei; Gu, Zhenggen; Hu, Ziqi; Shi, Zujin; Slanina, Zdeněk; Uhlík, Filip","Sm@C2v(19138)-C76: A Non-IPR Cage Stabilized by a Divalent Metal Ion.","Inorganic chemistry","2015","54","9","4243","4248","10.1021/ic502911v","","","0.71073","MoKα","","0.1326","0.1201","","","0.299","0.3076","","","","","","1.034","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342688","17.7807","0.0017","23.911","0.002","29.895","0.003","90","","107.274","0.002","90","","12137","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H90 N12 O29 P4 Pd12 S -","- C50 H90 N12 O29 P4 Pd12 S -","- C200 H360 N48 O116 P16 Pd48 S4 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.1386","0.0545","","","0.1166","0.1291","","","","","","0.862","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342689","21.447","0.004","28.408","0.004","17.659","0.003","90","","108.562","0.004","90","","10199","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H95 Cl N12 O29 P4 Pd12 S -","- C56 H95 Cl N12 O29 P4 Pd12 S -","- C224 H380 Cl4 N48 O116 P16 Pd48 S4 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.1592","0.0697","","","0.1537","0.1754","","","","","","0.902","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342690","17.7542","0.0009","24.0056","0.0011","29.9943","0.0016","90","","106.78","0.001","90","","12239.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N12 O28 P4 Pd12 -","- C54 H90 N12 O28 P4 Pd12 -","- C216 H360 N48 O112 P16 Pd48 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.0602","0.0377","","","0.0892","0.0956","","","","","","0.949","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342691","18.885","0.003","28.732","0.004","24.969","0.004","90","","90","","90","","13548","4","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C50 H90 N12 O29 P4 Pd12 S -","- C50 H84 N12 O29 P4 Pd12 S -","- C200 H336 N48 O116 P16 Pd48 S4 -","4","0.25","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.0949","0.0467","","","0.1066","0.1168","","","","","","0.931","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342692","17.777","0.002","23.963","0.003","29.741","0.003","90","","107.223","0.002","90","","12101","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H86 Cl2 N12 O28 P4 Pd12 -","- C49 H86 Cl2 N12 O28 P4 Pd12 -","- C196 H344 Cl8 N48 O112 P16 Pd48 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.1823","0.0681","","","0.1583","0.1807","","","","","","0.78","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342693","17.835","0.002","23.996","0.003","29.742","0.004","90","","107.088","0.003","90","","12167","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H85 Cl3 N12 O28 P4 Pd12 -","- C49 H85 Cl3 N12 O28 P4 Pd12 -","- C196 H340 Cl12 N48 O112 P16 Pd48 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.0987","0.0565","","","0.1439","0.1545","","","","","","0.922","","","","has coordinates,has disorder","204119","2020-10-21","18:00:00",""
"4342694","16.838","0.002","22.889","0.003","28.779","0.004","103.859","0.003","100.928","0.003","93.835","0.002","10500","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H168 N24 O58 P8 Pd24 -","- C98 H168 N24 O58 P8 Pd24 -","- C196 H336 N48 O116 P16 Pd48 -","2","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.151","0.0654","","","0.1338","0.1543","","","","","","0.824","","","","has coordinates,has disorder","207319","2020-10-21","18:00:00",""
"4342695","21.4768","0.0011","28.3891","0.0014","17.6626","0.0008","90","","108.407","0.002","90","","10218","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H98 N12 O29 P4 Pd12 S -","- C57 H98 N12 O29 P4 Pd12 S -","- C228 H392 N48 O116 P16 Pd48 S4 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","0.71073","MoKα","","0.0722","0.0452","","","0.098","0.1058","","","","","","0.974","","","","has coordinates,has disorder","208163","2020-10-21","18:00:00",""
"4342696","18.0511","0.0004","23.8322","0.0006","29.9204","0.0007","90","","107.459","0.0011","90","","12278.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H84 Cl4 N12 O28 P4 Pd12 -","- C49 H84 Cl4 N12 O28 P4 Pd12 -","- C196 H336 Cl16 N48 O112 P16 Pd48 -","4","1","","Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy","A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies","Inorganic chemistry","2015","","","150317143949001","","10.1021/ic502798r","","","1.54178","CuKα","","0.056","0.0415","","","0.12","0.1255","","","","","","1.079","","","","has coordinates","204119","2020-10-21","18:00:00",""
"4342697","22.351","0.001","22.351","0.001","13.773","0.001","90","","90","","120","","5958.7","0.6","293","","293","","","","","","","","synthesis as described","4","R 3 c :H","R 3 -2""c","161","La(IO3)3(HIO3)1.33","","","- H1.333 I4.333 La O13 -","- I4.33333 La O13 -","- I78 La18 O234 -","18","1","","Taouti, Mohamed B.; Suffren, Yan; Leynaud, Olivier; Benbertal, Djamal; Brenier, Alain; Gautier-Luneau, Isabelle","Structures, Thermal Behaviors, and Luminescent Properties of Anhydrous Lanthanum Iodate Polymorphs","Inorganic Chemistry","2015","","","150319112239005","","10.1021/acs.inorgchem.5b00187","","x-ray","0.56087","AgKα","","0.0402","0.0382","","","0.0959","0.0977","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342698","14.6004","0.0009","8.8498","0.0007","10.0689","0.001","90","","90","","90","","1301.01","0.18","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H9 B F N4 Na Si -","- C7 H9 B F N4 Na Si -","- C28 H36 B4 F4 N16 Na4 Si4 -","4","0.5","","Sprenger, Jan A. P.; Landmann, Johannes; Drisch, Michael; Ignat'ev, Nikolai; Finze, Maik","Syntheses of Tricyanofluoroborates M[BF(CN)3] (M = Na, K): (CH3)3SiCl Catalysis, Countercation Effect, and Reaction Intermediates.","Inorganic chemistry","2015","54","7","3403","3412","10.1021/ic503077c","","","0.71073","MoKα","","0.0254","0.0228","","","0.0583","0.0598","","","","","","1.072","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342699","17.682","0.002","21.055","0.003","13.645","0.003","90","","121.132","0.001","90","","4348.3","1.2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Cl F N5 O2 S -","- C20 H23 Cl F N5 O2 S -","- C160 H184 Cl8 F8 N40 O16 S8 -","8","1","","Yang, Mu; Pickard, Amanda J.; Qiao, Xin; Gueble, Matthew J.; Day, Cynthia S.; Kucera, Gregory L.; Bierbach, Ulrich","Synthesis, reactivity, and biological activity of gold(i) complexes modified with thiourea-functionalized tyrosine kinase inhibitors.","Inorganic chemistry","2015","54","7","3316","3324","10.1021/ic502998a","","","0.71073","MoKα","","0.08","0.052","","","0.1285","0.1486","","","","","","1.026","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342700","14.4975","0.0011","29.057","0.002","13.1779","0.001","90","","118.446","0.001","90","","4881","0.6","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Au2 Cl4 F2 N11 O3 S2 -","- C41 H42 Au2 Cl4 F2 N11 O3 S2 -","- C164 H168 Au8 Cl16 F8 N44 O12 S8 -","4","0.5","","Yang, Mu; Pickard, Amanda J.; Qiao, Xin; Gueble, Matthew J.; Day, Cynthia S.; Kucera, Gregory L.; Bierbach, Ulrich","Synthesis, reactivity, and biological activity of gold(i) complexes modified with thiourea-functionalized tyrosine kinase inhibitors.","Inorganic chemistry","2015","54","7","3316","3324","10.1021/ic502998a","","","0.71073","MoKα","","0.0518","0.0334","","","0.0834","0.0905","","","","","","0.939","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342701","17.7067","0.0005","13.2377","0.0004","11.5138","0.0003","90","","106.376","0.003","90","","2589.3","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O4 Ru -","- C28 H28 N2 O4 Ru -","- C112 H112 N8 O16 Ru4 -","4","1","","Das, Ankita; Ghosh, Prabir; Plebst, Sebastian; Schwederski, Brigitte; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Ancillary Ligand Control of Electronic Structure in o-Benzoquinonediimine-Ruthenium Complex Redox Series: Structures, Electron Paramagnetic Resonance (EPR), and Ultraviolet-Visible-Near-Infrared (UV-vis-NIR) Spectroelectrochemistry.","Inorganic chemistry","2015","54","7","3376","3386","10.1021/ic503070j","","","0.71073","MoKα","","0.0368","0.0316","","","0.0818","0.087","","","","","","1.033","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342702","11.9299","0.0003","22.0897","0.0004","13.7578","0.0004","90","","94.217","0.002","90","","3615.75","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl2 N6 O8 Ru -","- C38 H30 Cl2 N6 O8 Ru -","- C152 H120 Cl8 N24 O32 Ru4 -","4","0.5","","Das, Ankita; Ghosh, Prabir; Plebst, Sebastian; Schwederski, Brigitte; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Ancillary Ligand Control of Electronic Structure in o-Benzoquinonediimine-Ruthenium Complex Redox Series: Structures, Electron Paramagnetic Resonance (EPR), and Ultraviolet-Visible-Near-Infrared (UV-vis-NIR) Spectroelectrochemistry.","Inorganic chemistry","2015","54","7","3376","3386","10.1021/ic503070j","","","0.71073","MoKα","","0.0777","0.0654","","","0.1831","0.2063","","","","","","1.076","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342703","13.8532","0.0001","13.8532","0.0001","37.6585","0.0004","90","","90","","90","","7227.09","0.11","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H32 F6 N8 P Ru -","- C40 H32 F6 N8 P Ru -","- C320 H256 F48 N64 P8 Ru8 -","8","0.5","","Das, Ankita; Ghosh, Prabir; Plebst, Sebastian; Schwederski, Brigitte; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Ancillary Ligand Control of Electronic Structure in o-Benzoquinonediimine-Ruthenium Complex Redox Series: Structures, Electron Paramagnetic Resonance (EPR), and Ultraviolet-Visible-Near-Infrared (UV-vis-NIR) Spectroelectrochemistry.","Inorganic chemistry","2015","54","7","3376","3386","10.1021/ic503070j","","","1.54184","CuKα","","0.0491","0.0482","","","0.1372","0.1381","","","","","","1.066","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342704","7.92133","0.00006","7.92133","0.00006","7.92133","0.00006","90","","90","","90","","497.043","0.007","298","","298","","","","","","","","synthetic","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- F3 H6 Na Ni O3 -","- F3 H6 Na Ni O3 -","- F12 H24 Na4 Ni4 O12 -","4","0.166667","","Gonzalo, Elena C.; Sanjuán, María Luisa; Hoelzel, Markus; Azcondo, M. Teresa; Amador, Ulises; Sobrados, Isabel; Sanz, Jesús; García-Alvarado, Flaviano; Kuhn, Alois","Synthesis and Characterization of NaNiF3·3H2O: An Unusual Ordered Variant of the ReO3 Type.","Inorganic chemistry","2015","54","7","3172","3182","10.1021/ic5026262","powder diffraction","neutron","1.54833","neutron","","0.0064","","","0.0079","","","","0.024","1.79","","","","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342705","19.8205","0.0011","19.8205","0.0011","26.4663","0.0015","90","","90","","120","","9004.4","0.9","183","2","183","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C61 H60 Cl Cu3 N15 O10 -","- C61 H60 Cl Cu3 N15 O10 -","- C366 H360 Cl6 Cu18 N90 O60 -","6","0.333333","","Spielberg, Eike T.; Gilb, Aksana; Plaul, Daniel; Geibig, Daniel; Hornig, David; Schuch, Dirk; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried","A spin-frustrated trinuclear copper complex based on triaminoguanidine with an energetically well-separated degenerate ground state.","Inorganic chemistry","2015","54","7","3432","3438","10.1021/ic503095t","","","0.71073","MoKα","","0.0858","0.058","","","0.1658","0.1822","","","","","","1.263","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342706","15.6274","0.0009","14.5047","0.0007","24.1348","0.0011","90","","102.803","0.005","90","","5334.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H61 Co3 Gd N6 O20 -","- C32 H61 Co3 Gd N6 O20 -","- C128 H244 Co12 Gd4 N24 O80 -","4","1","","Langley, Stuart K.; Le, Crystal; Ungur, Liviu; Moubaraki, Boujemaa; Abrahams, Brendan F.; Chibotaru, Liviu F.; Murray, Keith S.","Heterometallic 3d-4f single-molecule magnets: ligand and metal ion influences on the magnetic relaxation.","Inorganic chemistry","2015","54","7","3631","3642","10.1021/acs.inorgchem.5b00219","","","0.71073","MoKα","","0.0856","0.061","","","0.1737","0.2008","","","","","","1.078","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342707","20.2592","0.0014","11.2886","0.0008","12.782","0.0008","90","","93.968","0.003","90","","2916.2","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H25 B N2 O2 -","- C21 H25 B N2 O2 -","- C126 H150 B6 N12 O12 -","6","1.5","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","1.54184","CuKα","","0.052","0.0401","","","0.0986","0.1053","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342708","9.1588","0.0004","11.485","0.0007","10.1066","0.0004","90","","96.86","0.002","90","","1055.49","0.09","100","0.5","100","0.5","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H29 B N2 O2 -","- C23 H29 B N2 O2 -","- C46 H58 B2 N4 O4 -","2","0.5","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","0.71073","MoKα","","0.0599","0.0427","","","0.108","0.1188","","","","","","1.036","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342709","9.0299","0.0011","16.252","0.002","16.2554","0.0019","90","","102.241","0.007","90","","2331.3","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 B N2 O2 -","- C25 H33 B N2 O2 -","- C100 H132 B4 N8 O8 -","4","1","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","0.71073","MoKα","","0.1364","0.0578","","","0.1082","0.1337","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342710","7.9474","0.0008","11.8269","0.001","45.453","0.004","90","","92.521","0.006","90","","4268.1","0.7","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 B N2 O2 -","- C25 H25 B N2 O2 -","- C200 H200 B8 N16 O16 -","8","2","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","1.54184","CuKα","","0.0968","0.08","","","0.1732","0.1801","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342711","7.631","0.0006","15.4871","0.0012","19.4805","0.0016","72.585","0.004","84.215","0.004","89.809","0.004","2184.7","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 B N2 O4.5 -","- C23 H28 B N2 O4.5 -","- C92 H112 B4 N8 O18 -","4","2","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","1.54184","CuKα","","0.0891","0.0669","","","0.1828","0.1955","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342712","11.1659","0.0008","16.0899","0.0012","19.5309","0.0013","90.127","0.005","92.245","0.005","96.332","0.005","3484.7","0.4","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B N8 O2 -","- C39 H39 B N8 O2 -","- C156 H156 B4 N32 O8 -","4","2","","Nguyen, Alex L.; Bobadova-Parvanova, Petia; Hopfinger, Melissa; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Reactivity of 4,4-Dialkoxy-BODIPYs: An Experimental and Computational Study.","Inorganic chemistry","2015","54","7","3228","3236","10.1021/ic502821m","","","1.54184","CuKα","","0.0688","0.0492","","","0.1118","0.1232","","","","","","0.953","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342713","11.053","0.0014","11.1076","0.0014","15.203","0.003","100.32","0.002","101.795","0.002","106.355","0.002","1696.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 B Cl3 Eu N9 O5 -","- C29 H28 B Cl3 Eu N9 O5 -","- C58 H56 B2 Cl6 Eu2 N18 O10 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Kiskin, Mikhail A.; Kolomzarov, Yuriy V.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Manifestation of π-π Stacking Interactions in Luminescence Properties and Energy Transfer in Aromatically-Derived Tb, Eu and Gd Tris(pyrazolyl)borate Complexes.","Inorganic chemistry","2015","54","7","3125","3133","10.1021/ic502120g","","","0.71073","MoKα","","0.0248","0.0229","","","0.0551","0.0565","","","","","","1.03","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342714","10.7529","0.0019","11.044","0.002","13.947","0.003","99.58","0.002","103.408","0.002","93.715","0.002","1579.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 B N10 O5 Tb -","- C30 H30 B N10 O5 Tb -","- C60 H60 B2 N20 O10 Tb2 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Kiskin, Mikhail A.; Kolomzarov, Yuriy V.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Manifestation of π-π Stacking Interactions in Luminescence Properties and Energy Transfer in Aromatically-Derived Tb, Eu and Gd Tris(pyrazolyl)borate Complexes.","Inorganic chemistry","2015","54","7","3125","3133","10.1021/ic502120g","","","0.71073","MoKα","","0.0219","0.0207","","","0.0491","0.0499","","","","","","1.042","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342715","10.5915","0.0008","10.7225","0.0008","15.4145","0.0012","100.69","0.001","102.413","0.001","100.304","0.001","1635.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 B Cl2 Gd N9 O5 -","- C29 H29 B Cl2 Gd N9 O5 -","- C58 H58 B2 Cl4 Gd2 N18 O10 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Kiskin, Mikhail A.; Kolomzarov, Yuriy V.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Manifestation of π-π Stacking Interactions in Luminescence Properties and Energy Transfer in Aromatically-Derived Tb, Eu and Gd Tris(pyrazolyl)borate Complexes.","Inorganic chemistry","2015","54","7","3125","3133","10.1021/ic502120g","","","0.71073","MoKα","","0.0259","0.0238","","","0.0586","0.0599","","","","","","1.058","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342716","10.7488","0.0016","11.0512","0.0017","13.991","0.002","99.728","0.002","103.413","0.002","93.555","0.002","1584.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 B Gd N10 O5 -","- C30 H30 B Gd N10 O5 -","- C60 H60 B2 Gd2 N20 O10 -","2","1","","Mikhalyova, Elena A.; Yakovenko, Anastasiya V.; Zeller, Matthias; Kiskin, Mikhail A.; Kolomzarov, Yuriy V.; Eremenko, Igor L.; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Manifestation of π-π Stacking Interactions in Luminescence Properties and Energy Transfer in Aromatically-Derived Tb, Eu and Gd Tris(pyrazolyl)borate Complexes.","Inorganic chemistry","2015","54","7","3125","3133","10.1021/ic502120g","","","0.71073","MoKα","","0.0233","0.0215","","","0.0544","0.0558","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342717","12.7534","0.0002","15.2777","0.0002","20.2051","0.0003","95.737","0.001","106.854","0.001","111.132","0.002","3420.9","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H83 I2 N10 O6 U Zn2 -","- C68 H83 I2 N10 O6 U Zn2 -","- C136 H166 I4 N20 O12 U2 Zn4 -","2","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Lord, Rianne M.; Jones, Guy M.; Hollis, Emmalina; Nichol, Gary S.; Maron, Laurent; Fang, Jian; Davin, Thomas; Love, Jason B.","Control of oxo-group functionalization and reduction of the uranyl ion.","Inorganic chemistry","2015","54","7","3702","3710","10.1021/acs.inorgchem.5b00420","","","1.54184","CuKα","","0.0364","0.0321","","","0.0824","0.0851","","","","","","1.034","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342718","24.213","0.002","38.234","0.004","35.147","0.003","90","","99.449","0.007","90","","32096","5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C332.81 H442.69 Cd2 N40 O48.54 Tb2 -","- C332.82 H442.72 Cd2 N40 O48.54 Tb2 -","- C1331.28 H1770.88 Cd8 N160 O194.16 Tb8 -","4","0.5","","Horii, Yoji; Katoh, Keiichi; Yasuda, Nobuhiro; Breedlove, Brian K.; Yamashita, Masahiro","Effects of f-f Interactions on the Single-Molecule Magnet Properties of Terbium(III)-Phthalocyaninato Quintuple-Decker Complexes.","Inorganic chemistry","2015","54","7","3297","3305","10.1021/ic502951t","","","0.6868","Synchrotron","","0.2265","0.105","","","0.2758","0.3616","","","","","","0.992","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342719","6.3443","0.0002","9.3938","0.0003","11.9664","0.0005","98.943","0.002","104.227","0.002","94.9","0.002","677.17","0.04","180","2","180","2","","","","","","","","7","P 1","P 1","1","","","","- C9 H13 F6 N2 O2 P Ru -","- C9 H13 F6 N2 O2 P Ru -","- C18 H26 F12 N4 O4 P2 Ru2 -","2","2","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0838","0.0456","","","0.0924","0.0972","","","","","","0.879","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342720","6.4223","0.0002","9.4407","0.0003","11.7926","0.0004","99.231","0.002","103.992","0.002","96.007","0.002","677.08","0.04","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 F6 N2 O2 P Ru -","- C9 H13 F6 N2 O2 P Ru -","- C18 H26 F12 N4 O4 P2 Ru2 -","2","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0509","0.047","","","0.1092","0.111","","","","","","1.145","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342721","5.9864","0.00001","8.5702","0.00001","27.2074","0.0004","90","","90","","90","","1395.87","0.02","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 F6 N2 O2 P Ru -","- C10 H15 F6 N2 O2 P Ru -","- C40 H60 F24 N8 O8 P4 Ru4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0396","0.0337","","","0.072","0.0744","","","","","","1.019","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342722","6.1049","0.0002","9.2278","0.0002","26.4164","0.0008","90","","90","","90","","1488.16","0.07","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F6 N3 O2 P Ru -","- C12 H14 F6 N3 O2 P Ru -","- C48 H56 F24 N12 O8 P4 Ru4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0519","0.0396","","","0.0938","0.0987","","","","","","1.047","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342723","6.028","0.0001","9.2549","0.0002","26.7467","0.0006","90","","90","","90","","1492.16","0.05","180","2","180","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 F6 N O2 P Ru S -","- C11 H16 F6 N O2 P Ru S -","- C44 H64 F24 N4 O8 P4 Ru4 S4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0388","0.0314","","","0.0761","0.0774","","","","","","1.037","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342724","8.7075","0.0002","10.1328","0.0002","11.1132","0.0002","90","","112.474","0.001","90","","906.06","0.03","250","2","250","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H20 Cl F6 N2 O2 Ru Sb -","- C12 H20 Cl F6 N2 O2 Ru Sb -","- C24 H40 Cl2 F12 N4 O4 Ru2 Sb2 -","2","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0387","0.0309","","","0.0731","0.075","","","","","","0.971","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342725","8.8476","0.0002","12.041","0.0003","16.3218","0.0004","82.386","0.001","84.009","0.001","72.56","0.001","1640.42","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C19 H43 B18 Cl2 Co N2 O2 -","- C19 H43 B18 Cl2 Co N2 O2 -","- C38 H86 B36 Cl4 Co2 N4 O4 -","2","1","","Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana","The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).","Inorganic chemistry","2015","54","7","3148","3158","10.1021/ic502450t","","","0.71073","MoKα","","0.0513","0.0452","","","0.1167","0.1217","","","","","","1.031","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342726","7.3301","0.0001","32.8341","0.0008","13.0658","0.0003","90","","93.74","0.001","90","","3137.94","0.11","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H74 B36 Cl2 Co2 N2 O4 -","- C33 H74 B36 Cl2 Co2 N2 O4 -","- C66 H148 B72 Cl4 Co4 N4 O8 -","2","0.5","","Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana","The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).","Inorganic chemistry","2015","54","7","3148","3158","10.1021/ic502450t","","","0.71073","MoKα","","0.072","0.0505","","","0.1404","0.1536","","","","","","1.049","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342727","9.471","0.0002","24.1214","0.0004","28.5697","0.0005","90","","90","","90","","6526.9","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B18 Co N2 O2 -","- C18 H41 B18 Co N2 O2 -","- C144 H328 B144 Co8 N16 O16 -","8","1","","Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana","The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).","Inorganic chemistry","2015","54","7","3148","3158","10.1021/ic502450t","","","0.71073","MoKα","","0.059","0.0463","","","0.1146","0.1198","","","","","","1.037","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342728","11.0702","0.0004","13.0078","0.0004","22.9231","0.0009","90","","97.445","0.001","90","","3273.1","0.2","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 B18 Co Li N O3 -","- C15 H33 B18 Co Li N O3 -","- C60 H132 B72 Co4 Li4 N4 O12 -","4","1","","Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana","The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).","Inorganic chemistry","2015","54","7","3148","3158","10.1021/ic502450t","","","0.71073","MoKα","","0.0779","0.0624","","","0.1605","0.1693","","","","","","1.036","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342729","12.8907","0.0004","15.1214","0.0005","15.7675","0.0006","99.255","0.003","112.11","0.003","106.598","0.003","2601.2","0.19","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Bi4 Cl14 Fe2 N2 O4 -","- C28 H36 Bi4 Cl14 Fe2 N2 O4 -","- C56 H72 Bi8 Cl28 Fe4 N4 O8 -","2","1","","Wójcik, Katarzyna; Preda, Ana Maria; Mertens, Lutz; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Iron-bismuth halido compounds: molecules, clusters, and polymers.","Inorganic chemistry","2015","54","8","3905","3912","10.1021/acs.inorgchem.5b00088","","","1.54184","CuKα","","0.0434","0.0371","","","0.0922","0.0949","","","","","","1.024","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342730","28.3992","0.001","10.9024","0.0003","40.7714","0.0006","90","","106.75","0.003","90","","12088","0.6","100","","100","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C73 H92 Bi6 Br24 Cl2 Fe6 O12 -","- C73 H92 Bi6 Br24 Cl2 Fe6 O12 -","- C292 H368 Bi24 Br96 Cl8 Fe24 O48 -","4","0.5","","Wójcik, Katarzyna; Preda, Ana Maria; Mertens, Lutz; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Iron-bismuth halido compounds: molecules, clusters, and polymers.","Inorganic chemistry","2015","54","8","3905","3912","10.1021/acs.inorgchem.5b00088","","","1.54184","CuKα","","0.0543","0.0423","","","0.1117","0.1212","","","","","","1.036","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342731","22.077","0.002","13.7272","0.0016","15.0237","0.0013","90","","115.814","0.009","90","","4098.7","0.8","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Fe N6 O5.5 S2 -","- C34 H24 Fe N6 S2 -","- C136 H96 Fe4 N24 S8 -","4","0.5","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","1.54178","CuKα","","0.1473","0.1308","","","0.328","0.3391","","","","","","2.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342732","12.69","0.002","15.807","0.002","18.999","0.003","90","","93.86","0.004","90","","3802.4","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Fe N6 O2 S2 -","- C38 H36 Fe N6 O2 S2 -","- C152 H144 Fe4 N24 O8 S8 -","4","0.5","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","0.71073","MoKα","","0.1684","0.0974","","","0.2264","0.269","","","","","","1.021","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342733","22.11","0.003","13.6595","0.0014","15.0436","0.0014","90","","116.019","0.01","90","","4082.9","0.9","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 Fe N6 O3 Se2 -","- C38 H36 Fe N6 O3 Se2 -","- C152 H144 Fe4 N24 O12 Se8 -","4","0.5","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","1.54178","CuKα","","0.1103","0.0982","","","0.2804","0.2965","","","","","","1.047","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342734","28.5702","0.0013","13.398","0.0007","31.5549","0.0014","90","","97.831","0.004","90","","11966.1","1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H104 Cl4 Fe3 N18 O6 Se6 -","- C102 H72 Fe3 N18 Se6 -","- C408 H288 Fe12 N72 Se24 -","4","1","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","1.54178","CuKα","","0.1887","0.1496","","","0.3596","0.3884","","","","","","1.968","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342735","14.1404","0.0008","15.4361","0.0005","20.5104","0.0008","90","","103.704","0.004","90","","4349.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 B2 Fe N6 O5 -","- C40 H48 B2 Fe N6 O5 -","- C160 H192 B8 Fe4 N24 O20 -","4","1","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","1.54178","CuKα","","0.0985","0.076","","","0.206","0.225","","","","","","1.032","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342736","14.0894","0.0006","15.399","0.0005","20.552","0.0008","90","","103.47","0.004","90","","4336.4","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 B2 Cl4 Fe N6 O2 -","- C40 H46 B2 Cl4 Fe N6 O2 -","- C160 H184 B8 Cl16 Fe4 N24 O8 -","4","1","","Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.","Inorganic chemistry","2015","54","8","3773","3780","10.1021/ic5029542","","","1.54178","CuKα","","0.1126","0.0954","","","0.2742","0.2956","","","","","","1.026","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342737","14.8473","0.0008","11.6616","0.0006","14.8428","0.0008","90","","116.275","0.0008","90","","2304.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N6 Pt S4 -","- C22 H16 N6 Pt S4 -","- C88 H64 N24 Pt4 S16 -","4","1","","Poirier, Stéphanie; Roberts, Ryan J.; Le, Debbie; Leznoff, Daniel B.; Reber, Christian","Interpreting Effects of Structure Variations Induced by Temperature and Pressure on Luminescence Spectra of Platinum(II) Bis(dithiocarbamate) Compounds.","Inorganic chemistry","2015","54","8","3728","3735","10.1021/ic5025718","","","0.71073","MoKα","","0.0243","0.0212","","","0.0513","0.0629","","","","","","1.198","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342738","14.908","0.003","11.805","0.003","14.952","0.004","90","","115.626","0.003","90","","2372.6","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N6 Pt S4 -","- C22 H16 N6 Pt S4 -","- C88 H64 N24 Pt4 S16 -","4","1","","Poirier, Stéphanie; Roberts, Ryan J.; Le, Debbie; Leznoff, Daniel B.; Reber, Christian","Interpreting Effects of Structure Variations Induced by Temperature and Pressure on Luminescence Spectra of Platinum(II) Bis(dithiocarbamate) Compounds.","Inorganic chemistry","2015","54","8","3728","3735","10.1021/ic5025718","","","0.71073","MoKα","","0.0949","0.0694","","","0.1438","0.1562","","","","","","1.092","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342739","14.618","0.002","14.677","0.002","19.035","0.003","67.915","0.002","89.636","0.002","67.224","0.002","3442.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42.5 B Cd N6.5 O2 S3 -","- C30 H42.5 B Cd N6.5 O2 S3 -","- C120 H170 B4 Cd4 N26 O8 S12 -","4","2","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR).","Inorganic chemistry","2015","54","8","3835","3850","10.1021/acs.inorgchem.5b00017","","","0.71073","MoKα","","0.0478","0.0318","","","0.068","0.0746","","","","","","1.051","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342740","10.0324","0.0007","11.0195","0.0008","30.106","0.002","90","","90.485","0.001","90","","3328.2","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 B Cd F2 N6 O2 S3 -","- C28 H37 B Cd F2 N6 O2 S3 -","- C112 H148 B4 Cd4 F8 N24 O8 S12 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR).","Inorganic chemistry","2015","54","8","3835","3850","10.1021/acs.inorgchem.5b00017","","","0.71073","MoKα","","0.1237","0.0526","","","0.0872","0.1082","","","","","","0.992","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342741","10.0539","0.001","12.7624","0.0012","22.749","0.002","90","","90","","90","","2919","0.5","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C24 H24 Cu2 N4 O16 P3 V -","- C24 H22 Cu2 N4 O16 P3 V -","- C96 H88 Cu8 N16 O64 P12 V4 -","4","0.5","","Venegas-Yazigi, Diego; Spodine, Evgenia; Saldias, Marianela; Vega, Andrés; Paredes-García, Verónica; Calvo, Rafael; Santana, Ricardo Costa de","1D Magnetic Interactions in Cu(II) Oxovanadium Phosphates (VPO), Magnetic Susceptibility, DFT, and Single-Crystal EPR.","Inorganic chemistry","2015","54","8","3805","3814","10.1021/ic503045d","","","0.71073","MoKα","","0.0276","0.0261","","","0.0772","0.0782","","","","","","1.035","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342742","5.5358","0.0002","10.2543","0.0003","11.7505","0.0004","74.431","0.001","79.871","0.001","85.717","0.002","632.27","0.04","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H8 Cu N2 O6 P V -","- C10 H8 Cu N2 O6 P V -","- C20 H16 Cu2 N4 O12 P2 V2 -","2","1","","Venegas-Yazigi, Diego; Spodine, Evgenia; Saldias, Marianela; Vega, Andrés; Paredes-García, Verónica; Calvo, Rafael; Santana, Ricardo Costa de","1D Magnetic Interactions in Cu(II) Oxovanadium Phosphates (VPO), Magnetic Susceptibility, DFT, and Single-Crystal EPR.","Inorganic chemistry","2015","54","8","3805","3814","10.1021/ic503045d","","","0.71073","MoKα","","0.0192","0.0187","","","0.0565","0.0567","","","","","","1.096","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342743","10.674","0.002","11.584","0.002","18.116","0.004","90","","100.38","0.03","90","","2203.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O6 U -","- C22 H18 N4 O6 U -","- C88 H72 N16 O24 U4 -","4","0.5","","Chen, Fei; Wang, Cong-Zhi; Li, Zi-Jie; Lan, Jian-Hui; Ji, Yan-Qin; Chai, Zhi-Fang","New three-fold interpenetrated uranyl organic framework constructed by terephthalic Acid and imidazole derivative.","Inorganic chemistry","2015","54","8","3829","3834","10.1021/acs.inorgchem.5b00013","","","0.71073","MoKα","","0.0611","0.0441","","","0.1028","0.1346","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342744","10.9717","0.0002","10.9717","0.0002","9.5734","0.0002","90","","90","","90","","1152.43","0.04","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","SrUP2S8","","","- P2 S8 Sr U -","- P2 S8 Sr U -","- P8 S32 Sr4 U4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","0.71073","MoKα","","0.0178","0.0126","","","0.0279","0.0296","","","","","","1.281","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342745","11.1405","0.0004","11.1405","0.0004","9.6604","0.0005","90","","90","","90","","1198.96","0.09","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","BaUP2S8","","","- Ba P2 S8 U -","- Ba P2 S8 U -","- Ba4 P8 S32 U4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","1.54178","CuKα","","0.0262","0.0235","","","0.0607","0.0625","","","","","","1.058","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342746","11.0284","0.0012","11.0284","0.0012","9.6725","0.0009","90","","90","","90","","1176.4","0.2","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","SrThP2S8","","","- P2 S8 Sr Th -","- P2 S8 Sr Th -","- P8 S32 Sr4 Th4 -","4","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.","Inorganic chemistry","2015","54","6","2970","2975","10.1021/acs.inorgchem.5b00071","","","0.71073","MoKα","","0.013","0.0103","","","0.0258","0.0277","","","","","","1.472","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342747","13.501","0.006","13.724","0.006","13.911","0.006","90","","90","","90","","2578","2","110","2","110","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C40 H56 Mn4 O17 -","- C40 H56 Mn4 O17 -","- C80 H112 Mn8 O34 -","2","0.25","","Hailili, Reshalaiti; Wang, Li; Qv, Junzhang; Yao, Ruxin; Zhang, Xian-Ming; Liu, Huwei","Planar Mn4O Cluster Homochiral Metal-Organic Framework for HPLC Separation of Pharmaceutically Important (±)-Ibuprofen Racemate.","Inorganic chemistry","2015","54","8","3713","3715","10.1021/ic502861k","","","1.54178","CuKα","","0.087","0.081","","","0.2288","0.241","","","","","","1.117","","","","has coordinates,has disorder","179530","2020-10-21","18:00:00",""
"4342748","10.357","0.002","11.44","0.003","14.297","0.004","99.748","0.011","95.099","0.011","101.668","0.01","1621.7","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Iron-pyridoxal complex","","","- C33 H29 F6 Fe N5 O3 P -","- C33 H29 F6 Fe N5 O3 P -","- C66 H58 F12 Fe2 N10 O6 P2 -","2","1","","Basu, Uttara; Pant, Ila; Hussain, Akhtar; Kondaiah, Paturu; Chakravarty, Akhil R.","Iron(III) Complexes of a Pyridoxal Schiff Base for Enhanced Cellular Uptake with Selectivity and Remarkable Photocytotoxicity.","Inorganic chemistry","2015","54","8","3748","3758","10.1021/ic5027625","","","0.71073","MoKα","","0.0866","0.0592","","","0.1588","0.1735","","","","","","1.084","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342749","11.8707","0.0005","13.4005","0.0006","16.7965","0.0007","110.929","0.002","93.479","0.002","108.658","0.002","2317.77","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe2 H85 Na13 O104 Si2 W16 -","- Fe2 Na13 O104 Si2 W16 -","- Fe2 Na13 O104 Si2 W16 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0322","0.027","","","0.0668","0.0704","","","","","","1.027","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342750","11.6711","0.0006","13.4081","0.0007","17.6959","0.001","71.766","0.003","80.903","0.003","70.152","0.002","2469.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Na15 O111 Si2 W16 Zn2 -","- Na15 O110 Si2 W16 Zn2 -","- Na15 O110 Si2 W16 Zn2 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0322","0.0278","","","0.0759","0.0791","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342751","11.6638","0.0006","13.3928","0.0008","17.7359","0.001","71.957","0.003","80.834","0.003","70.13","0.003","2472.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Mn2 Na15 O111 Si2 W16 -","- Mn2 Na15 O110 Si2 W16 -","- Mn2 Na15 O110 Si2 W16 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0367","0.0276","","","0.0571","0.0608","","","","","","1.013","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342752","11.7071","0.0006","13.4442","0.0007","17.5941","0.0009","71.425","0.002","80.487","0.002","69.964","0.002","2461.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 H99 Na15 O111 Si2 W16 -","- Cu2 Na15 O111 Si2 W16 -","- Cu2 Na15 O111 Si2 W16 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0254","0.0223","","","0.0526","0.0538","","","","","","1.068","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342753","11.6818","0.0004","13.4196","0.0003","17.7103","0.0006","71.719","0.003","80.814","0.003","70.188","0.003","2475.77","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Co2 H99 Na15 O111 Si2 W16 -","- Co2 Na15 O112 Si2 W16 -","- Co2 Na15 O112 Si2 W16 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.068","0.0405","","","0.0704","0.0821","","","","","","1.061","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342754","11.6686","0.0003","13.411","0.0004","17.6506","0.0004","71.797","0.002","80.885","0.002","70.251","0.002","2465.22","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- H99 Na15 Ni2 O111 Si2 W16 -","- Na15 Ni2 O110 Si2 W16 -","- Na15 Ni2 O110 Si2 W16 -","1","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0437","0.032","","","0.0652","0.0703","","","","","","1.042","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342755","13.0719","0.0002","17.7002","0.0003","21.0088","0.0004","90","","92.337","0.002","90","","4856.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cu4 H82 Na12 O109 Si2 W18 -","- Cu4 Na12 O109 Si2 W18 -","- Cu8 Na24 O218 Si4 W36 -","2","0.5","","Winter, Ross S.; Long, De-Liang; Cronin, Leroy","Synthesis and Characterization of a Series of [M2(β-SiW8O31)2](n-) Clusters and Mechanistic Insight into the Reorganization of {β-SiW8O31} into {α-SiW9O34}.","Inorganic chemistry","2015","54","8","4151","4155","10.1021/acs.inorgchem.5b00405","","","0.71073","MoKα","","0.0359","0.0269","","","0.0583","0.0616","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4342756","12.604","0.003","9.4717","0.0019","17.497","0.004","90","","90","","90","","2088.8","0.8","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","Co-btm-SCN","","","- C12 H14 Co N14 O S2 -","- C12 H14 Co N14 O S2 -","- C48 H56 Co4 N56 O4 S8 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.076","0.0591","","","0.1818","0.2137","","","","","","1.18","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342757","12.747","0.003","9.52","0.002","17.42","0.004","90","","90","","90","","2113.9","0.8","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","Ni-btm-SCN","","","- C12 H14 N14 Ni O S2 -","- C12 H14 N14 Ni O S2 -","- C48 H56 N56 Ni4 O4 S8 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.0567","0.0527","","","0.1502","0.155","","","","","","1.389","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342758","12.5908","0.0005","9.5436","0.0004","17.6577","0.0008","90","","90","","90","","2121.78","0.16","180","2","180","2","","","","","","","","6","C m c m","-C 2c 2","63","Zn(Co)-btm-SCN","","","- C12 H14 N14 O S2 Zn -","- C12 H14 N14 O S2 Zn -","- C48 H56 N56 O4 S8 Zn4 -","4","0.25","","Zhu, Yuan-Yuan; Zhu, Ming-Sheng; Yin, Ting-Ting; Meng, Yin-Shan; Wu, Zong-Quan; Zhang, Yi-Quan; Gao, Song","Cobalt(II) Coordination Polymer Exhibiting Single-Ion-Magnet-Type Field-Induced Slow Relaxation Behavior.","Inorganic chemistry","2015","54","8","3716","3718","10.1021/ic5029299","","","0.71073","MoKα","","0.0415","0.0374","","","0.1509","0.1589","","","","","","1.043","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342759","11.917","0.006","34.75","0.018","23.067","0.012","90","","98.817","0.008","90","","9440","8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H87 Fe2 N4 Ni O19 -","- C60 H87 Fe2 N4 Ni O19 -","- C240 H348 Fe8 N16 Ni4 O76 -","4","1","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.221","0.0763","","","0.1798","0.2157","","","","","","0.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342760","12.514","0.002","60.998","0.009","12.873","0.002","90","","98.645","0.003","90","","9715","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C135 H180 Fe4 N12 Ni2 O26 -","- C135 H180 Fe4 N12 Ni2 O26 -","- C270 H360 Fe8 N24 Ni4 O52 -","2","1","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.2036","0.1013","","","0.227","0.2683","","","","","","0.841","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342761","13.164","0.004","17.071","0.005","31.15","0.009","90","","92.11","0.006","90","","6995","4","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Fe2 N4 Ni O13 -","- C50 H68 Fe2 N4 Ni O13 -","- C200 H272 Fe8 N16 Ni4 O52 -","4","1","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.1988","0.0774","","","0.1805","0.2134","","","","","","0.817","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342762","13.1615","0.0011","16.9299","0.0014","30.922","0.003","90","","92.319","0.002","90","","6884.5","1","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Fe2 N4 Ni O13 -","- C50 H68 Fe2 N4 Ni O13 -","- C200 H272 Fe8 N16 Ni4 O52 -","4","1","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.1303","0.0622","","","0.1419","0.1611","","","","","","0.834","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342763","16.667","0.005","16.667","0.005","14.966","0.004","90","","90","","120","","3600.4","1.8","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C48 H66 Fe2 N6 Ni O13 -","- C48 H66 Fe2.01 N6 Ni0.99 O13 -","- C96 H132 Fe4.02 N12 Ni1.98 O26 -","2","0.166667","","Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.","Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.","Inorganic chemistry","2015","54","11","5169","5181","10.1021/ic503061z","","","0.71073","MoKα","","0.1183","0.0752","","","0.2301","0.2651","","","","","","1.206","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342764","16.5827","0.0006","16.5827","0.0006","52.106","0.002","90","","90","","120","","12408.8","0.8","295","2","295","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Mg N4 O24 P6 -","- C15 H58 Mg N4 O24 P6 -","- C180 H696 Mg12 N48 O288 P72 -","12","0.333333","","Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her","Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.","Inorganic chemistry","2015","54","9","4268","4278","10.1021/ic5029993","","","0.71073","MoKα","","0.077","0.0566","","","0.1788","0.1937","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342765","5.7106","0.0002","15.3214","0.0007","12.3862","0.0006","90","","102.893","0.002","90","","1056.4","0.08","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 Ca0.5 N O7 P2 -","- C4 H14 Ca0.5 N O7 P2 -","- C16 H56 Ca2 N4 O28 P8 -","4","1","","Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her","Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.","Inorganic chemistry","2015","54","9","4268","4278","10.1021/ic5029993","","","0.71073","MoKα","","0.0412","0.0322","","","0.0832","0.0876","","","","","","0.986","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342766","22.5561","0.0008","17.4368","0.0006","10.1995","0.0004","90","","109.402","0.001","90","","3783.7","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H15.5 N O15 P4 Sr1.5 -","- C6 H15.5 N O15 P4 Sr1.5 -","- C48 H124 N8 O120 P32 Sr12 -","8","1","","Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her","Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.","Inorganic chemistry","2015","54","9","4268","4278","10.1021/ic5029993","","","0.71073","MoKα","","0.0347","0.0294","","","0.085","0.0866","","","","","","1.066","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342767","10.7703","0.0008","10.8543","0.0007","13.1677","0.0015","113.854","0.004","93.428","0.004","114.852","0.003","1227.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 Ba3 O22 P6 -","- C6 H20 Ba3 O22 P6 -","- C12 H40 Ba6 O44 P12 -","2","1","","Senthil Raja, Duraisamy; Lin, Pin-Chun; Liu, Wei-Ren; Zhan, Jun-Xiang; Fu, Xin-Yi; Lin, Chia-Her","Multidimensional (0D to 3D) Alkaline-Earth Metal Diphosphonates: Synthesis, Structural Diversity, and Luminescence Properties.","Inorganic chemistry","2015","54","9","4268","4278","10.1021/ic5029993","","","0.71073","MoKα","","0.028","0.0226","","","0.0509","0.0521","","","","","","1.051","","","","has coordinates","138184","2020-10-21","18:00:00",""
"4342768","25.9261","0.0011","25.9261","0.0011","25.9261","0.0011","90","","90","","90","","17426.6","1.3","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H78 Cd4 Mn2 O75 Yb4 -","- C48 H78 Cd4 Mn2 O75 Yb4 -","- C384 H624 Cd32 Mn16 O600 Yb32 -","8","0.0416667","","Wang, Ying; Wang, Xiu-Guang; Yuan, Bin; Shao, Cheng-Yuan; Chen, Yuan-Yuan; Zhou, Bing-Bing; Li, Ming-Shu; An, Xiao-Mai; Cheng, Peng; Zhao, Xiao-Jun","Cation-Exchange Porosity Tuning in a Dynamic 4d-4f-3d Framework for Ni(II) Ion-Selective Luminescent Probe.","Inorganic chemistry","2015","54","9","4456","4465","10.1021/acs.inorgchem.5b00217","","","0.71073","MoKα","","0.0807","0.0592","","","0.2248","0.2538","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342769","13.54776","0.00017","22.975","0.0002","20.6916","0.0002","90","","108.326","0.0013","90","","6113.81","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H41 F20 N2 O3 Pt2 Tl2 -","- C62 H41 F20 N2 O3 Pt2 Tl2 -","- C248 H164 F80 N8 O12 Pt8 Tl8 -","4","1","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0373","0.0291","","","0.0754","0.0773","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342770","15.6391","0.0003","21.9389","0.0003","21.3206","0.0005","90","","109.132","0.003","90","","6911.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66.75 H53.5 Cl1.5 F20 N3 Pt2 Tl -","- C66.75 H53.5 Cl1.5 F20 N3 Pt2 Tl -","- C267 H214 Cl6 F80 N12 Pt8 Tl4 -","4","1","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0784","0.0412","","","0.0994","0.1145","","","","","","1.026","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342771","13.6874","0.0002","19.5947","0.0003","24.0397","0.0004","90","","101.701","0.0015","90","","6313.47","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Cl2 F20 N3 Pt2 Tl -","- C67 H54 Cl2 F20 N3 Pt2 Tl -","- C268 H216 Cl8 F80 N12 Pt8 Tl4 -","4","1","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.058","0.0378","","","0.0788","0.083","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342772","20.866","0.004","20.269","0.004","31.102","0.006","90","","90","","90","","13154","4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H60 F20 N3 O Pt2 Tl -","- C70 H60 F20 N3 O Pt2 Tl -","- C560 H480 F160 N24 O8 Pt16 Tl8 -","8","1","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0567","0.0306","","","0.0588","0.0655","","","","","","1.02","","","","has coordinates","138186","2020-10-21","18:00:00",""
"4342773","31.026","0.0003","31.026","0.0003","20.8832","0.0003","90","","90","","90","","20102.4","0.4","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C50 H16 F20 N2 Pb Pt2 -","- C50 H16 F20 N2 Pb Pt2 -","- C800 H256 F320 N32 Pb16 Pt32 -","16","0.5","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0603","0.031","","","0.0581","0.0625","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342774","10.782","0.0005","17.8049","0.0007","19.6609","0.0009","90","","101.804","0.002","90","","3694.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H54 Cl Co N3 Si2 -","- C33 H54 Cl Co N3 Si2 -","- C132 H216 Cl4 Co4 N12 Si8 -","4","1","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.0481","0.0316","","","0.0981","0.1113","","","","","","0.847","","","","has coordinates","138105","2020-10-21","18:00:00",""
"4342775","21.5951","0.0008","9.2309","0.0003","24.4704","0.0008","90","","112.344","0.0011","90","","4511.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H72 Co N4 -","- C51 H72 Co N4 -","- C204 H288 Co4 N16 -","4","0.5","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.0514","0.0364","","","0.0863","0.0932","","","","","","1.031","","","","has coordinates,has disorder","138105","2020-10-21","18:00:00",""
"4342776","10.1555","0.0006","20.2913","0.0011","19.5144","0.0011","90","","100.386","0.0019","90","","3955.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Cl Co N2 O -","- C42 H59 Cl Co N2 O -","- C168 H236 Cl4 Co4 N8 O4 -","4","1","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.069","0.0459","","","0.1205","0.1378","","","","","","0.894","","","","has coordinates","138105","2020-10-21","18:00:00",""
"4342777","10.007","0.0007","28.2641","0.0019","39.221","0.003","90","","90","","90","","11093.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H78 Cl Co N3 -","- C65 H78 Cl Co N3 -","- C520 H624 Cl8 Co8 N24 -","8","1","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.0735","0.0499","","","0.0988","0.1069","","","","","","1.172","","","","has coordinates","138105","2020-10-21","18:00:00",""
"4342778","14.9597","0.0006","39.062","0.0016","16.4401","0.0007","90","","115.181","0.001","90","","8693.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H106 Co N2 O3 -","- C72 H106 Co N2 O3 -","- C288 H424 Co4 N8 O12 -","4","1","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.0785","0.0586","","","0.1491","0.1623","","","","","","1.028","","","","has coordinates,has disorder","138105","2020-10-21","18:00:00",""
"4342779","10.5582","0.0004","18.6784","0.0008","20.2317","0.0007","90","","99.4721","0.0013","90","","3935.5","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 Cl F6 P3 Sb -","- C43 H35 Cl F6 P3 Sb -","- C172 H140 Cl4 F24 P12 Sb4 -","4","1","","Đorđević, Nemanja; Tay, Madelyn Qin Yi; Muthaiah, Senthilkumar; Ganguly, Rakesh; Dimić, Dušan; Vidović, Dragoslav","C-f bond activation by transient phosphenium dications.","Inorganic chemistry","2015","54","9","4180","4182","10.1021/ic5031125","","","0.71073","","","0.1095","0.056","","","0.1415","0.1991","","","","","","1.109","","","","has coordinates,has disorder","138187","2020-10-21","18:00:00",""
"4342780","13.4628","0.0007","17.6007","0.001","24.4781","0.0015","84.742","0.002","81.149","0.002","80.723","0.002","5642.9","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H77 B2 F49 P4 -","- C116 H77 B2 F49 P4 -","- C232 H154 B4 F98 P8 -","2","1","","Đorđević, Nemanja; Tay, Madelyn Qin Yi; Muthaiah, Senthilkumar; Ganguly, Rakesh; Dimić, Dušan; Vidović, Dragoslav","C-f bond activation by transient phosphenium dications.","Inorganic chemistry","2015","54","9","4180","4182","10.1021/ic5031125","","","0.71073","MoKα","","0.136","0.0834","","","0.2257","0.2662","","","","","","1.089","","","","has coordinates,has disorder","138187","2020-10-21","18:00:00",""
"4342781","11.7973","0.0004","13.4325","0.0005","13.4603","0.0005","89.7362","0.0013","79.2458","0.0013","66.808","0.0012","1920.6","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 Cl F7 P3 Sb -","- C43 H34 Cl F7 P3 Sb -","- C86 H68 Cl2 F14 P6 Sb2 -","2","1","","Đorđević, Nemanja; Tay, Madelyn Qin Yi; Muthaiah, Senthilkumar; Ganguly, Rakesh; Dimić, Dušan; Vidović, Dragoslav","C-f bond activation by transient phosphenium dications.","Inorganic chemistry","2015","54","9","4180","4182","10.1021/ic5031125","","","0.71073","MoKα","","0.0293","0.0244","","","0.0591","0.0616","","","","","","1.032","","","","has coordinates","138187","2020-10-21","18:00:00",""
"4342782","8.693","0.0017","14.029","0.003","15.207","0.003","76.71","0.03","79.72","0.03","76.24","0.03","1738","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 F12 N10 P2 Ru2 -","- C66 H42 F12 N10 P2 Ru2 -","- C66 H42 F12 N10 P2 Ru2 -","1","0.5","","Yao, Chang-Jiang; Nie, Hai-Jing; Yang, Wen-Wen; Yao, Jiannian; Zhong, Yu-Wu","Combined Experimental and Computational Study of Pyren-2,7-diyl-Bridged Diruthenium Complexes with Various Terminal Ligands.","Inorganic chemistry","2015","54","10","4688","4698","10.1021/ic503117k","","","0.71073","MoKα","","0.0894","0.0721","","","0.17","0.1828","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342783","7.7681","0.0004","7.922","0.0004","11.8432","0.0006","85.63","0.003","80.383","0.003","74.105","0.003","690.74","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 B Br F2 N2 -","- C15 H10 B Br F2 N2 -","- C30 H20 B2 Br2 F4 N4 -","2","1","","Basumatary, Biju; Raja Sekhar, Adiki; Ramana Reddy, R. V.; Sankar, Jeyaraman","Corrole-BODIPY Dyads: Synthesis, Structure, and Electrochemical and Photophysical Properties.","Inorganic chemistry","2015","54","9","4257","4267","10.1021/ic502919s","","","0.71073","MoKα","","0.0713","0.0475","","","0.1579","0.1736","","","","","","1.183","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342784","11.5531","0.0008","8.7314","0.0007","15.0856","0.001","90","","97.196","0.003","90","","1509.77","0.19","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 B Br F2 N2 O -","- C16 H10 B Br F2 N2 O -","- C64 H40 B4 Br4 F8 N8 O4 -","4","1","","Basumatary, Biju; Raja Sekhar, Adiki; Ramana Reddy, R. V.; Sankar, Jeyaraman","Corrole-BODIPY Dyads: Synthesis, Structure, and Electrochemical and Photophysical Properties.","Inorganic chemistry","2015","54","9","4257","4267","10.1021/ic502919s","","","0.71073","MoKα","","0.0736","0.0445","","","0.1424","0.1615","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342785","15.9618","0.0019","8.356","0.001","34.582","0.004","90","","113.041","0.005","90","","4244.5","0.9","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H20 B Br F12 N6 -","- C46 H20 B Br F12 N6 -","- C184 H80 B4 Br4 F48 N24 -","4","1","","Basumatary, Biju; Raja Sekhar, Adiki; Ramana Reddy, R. V.; Sankar, Jeyaraman","Corrole-BODIPY Dyads: Synthesis, Structure, and Electrochemical and Photophysical Properties.","Inorganic chemistry","2015","54","9","4257","4267","10.1021/ic502919s","","","0.71073","MoKα","","0.154","0.0858","","","0.2173","0.2419","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342786","24.66","0.0009","13.0465","0.0005","38.8737","0.0014","90","","95.041","0.001","90","","12458.3","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 F18 Fe3 N30 O22 S6 -","- C112 H100 F18 Fe3 N30 O22 S6 -","- C448 H400 F72 Fe12 N120 O88 S24 -","4","0.5","","Akhuli, Bidyut; Cera, Luca; Jana, Barun; Saha, Subrata; Schalley, Christoph A.; Ghosh, Pradyut","Formation and Transmetalation Mechanisms of Homo- and Heterometallic (Fe/Zn) Trinuclear Triple-Stranded Side-by-Side Helicates.","Inorganic chemistry","2015","54","9","4231","4242","10.1021/ic502855g","","","0.71073","MoKα","","0.0971","0.0761","","","0.2076","0.2341","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342787","12.9568","0.0011","22.3513","0.0018","25.396","0.002","72.76","0.002","89.61","0.002","73.586","0.002","6714.2","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 F18 N30 O18 S6 Zn3 -","- C96 H72 F18 N30 O18 S6 Zn3 -","- C192 H144 F36 N60 O36 S12 Zn6 -","2","1","","Akhuli, Bidyut; Cera, Luca; Jana, Barun; Saha, Subrata; Schalley, Christoph A.; Ghosh, Pradyut","Formation and Transmetalation Mechanisms of Homo- and Heterometallic (Fe/Zn) Trinuclear Triple-Stranded Side-by-Side Helicates.","Inorganic chemistry","2015","54","9","4231","4242","10.1021/ic502855g","","","0.71073","MoKα","","0.0585","0.0449","","","0.1445","0.1521","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342788","13.328","0.003","23.777","0.006","27.022","0.007","115.929","0.006","103.306","0.007","90.153","0.007","7442","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H72 F18 Fe2 N30 O18 S6 Zn -","- C96 H72 F18 Fe2 N30 O18 S6 Zn -","- C192 H144 F36 Fe4 N60 O36 S12 Zn2 -","2","1","","Akhuli, Bidyut; Cera, Luca; Jana, Barun; Saha, Subrata; Schalley, Christoph A.; Ghosh, Pradyut","Formation and Transmetalation Mechanisms of Homo- and Heterometallic (Fe/Zn) Trinuclear Triple-Stranded Side-by-Side Helicates.","Inorganic chemistry","2015","54","9","4231","4242","10.1021/ic502855g","","","0.71073","MoKα","","0.0787","0.057","","","0.1527","0.1625","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342789","11.5155","0.0019","10.0686","0.0016","20.095","0.003","90","","92.038","0.002","90","","2328.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 N4 Ni O S2 -","- C22 H34 N4 Ni O S2 -","- C88 H136 N16 Ni4 O4 S8 -","4","1","","Broering, Ellen P.; Dillon, Stephanie; Gale, Eric M.; Steiner, Ramsey A.; Telser, Joshua; Brunold, Thomas C.; Harrop, Todd C.","Accessing Ni(III)-Thiolate Versus Ni(II)-Thiyl Bonding in a Family of Ni-N2S2 Synthetic Models of NiSOD.","Inorganic chemistry","2015","54","8","3815","3828","10.1021/ic503124f","","","0.71073","MoKα","","0.0583","0.0378","","","0.0873","0.0968","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342790","20.0499","0.0012","11.801","0.0007","20.4272","0.0013","90","","100.585","0.001","90","","4751","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N4 Ni O S2 -","- C22 H34 N4 Ni O S2 -","- C176 H272 N32 Ni8 O8 S16 -","8","2","","Broering, Ellen P.; Dillon, Stephanie; Gale, Eric M.; Steiner, Ramsey A.; Telser, Joshua; Brunold, Thomas C.; Harrop, Todd C.","Accessing Ni(III)-Thiolate Versus Ni(II)-Thiyl Bonding in a Family of Ni-N2S2 Synthetic Models of NiSOD.","Inorganic chemistry","2015","54","8","3815","3828","10.1021/ic503124f","","","0.71073","MoKα","","0.0492","0.0371","","","0.0959","0.1028","","","","","","1.021","","","","has coordinates","138176","2020-10-21","18:00:00",""
"4342791","19.4038","0.0019","13.795","0.0014","15.5713","0.0016","90","","126.852","0.001","90","","3335.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N8 Ni4 O4 S4 -","- C32 H32 N8 Ni4 O4 S4 -","- C128 H128 N32 Ni16 O16 S16 -","4","0.5","","Broering, Ellen P.; Dillon, Stephanie; Gale, Eric M.; Steiner, Ramsey A.; Telser, Joshua; Brunold, Thomas C.; Harrop, Todd C.","Accessing Ni(III)-Thiolate Versus Ni(II)-Thiyl Bonding in a Family of Ni-N2S2 Synthetic Models of NiSOD.","Inorganic chemistry","2015","54","8","3815","3828","10.1021/ic503124f","","","0.71073","MoKα","","0.0526","0.0393","","","0.1031","0.1113","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342792","11.8356","0.0003","14.3833","0.0004","18.5531","0.0006","89.367","0.002","86.176","0.002","85.018","0.002","3139.41","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H60 Ag Au F6 P4 -","- C74 H60 Ag Au F6 P4 -","- C148 H120 Ag2 Au2 F12 P8 -","2","1","","Zopes, David; Hegemann, Corinna; Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Single-source precursors for alloyed gold-silver nanocrystals - a molecular metallurgy approach.","Inorganic chemistry","2015","54","8","3781","3787","10.1021/ic502924s","","","0.71073","MoKα","","0.0602","0.0468","","","0.1177","0.1231","","","","","","1.154","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342793","8.7358","0.0003","12.977","0.0005","15.1248","0.0006","90","","98.822","0.003","90","","1694.33","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 Ag Au F6 P2 -","- C26 H54 Ag Au F6 P2 -","- C52 H108 Ag2 Au2 F12 P4 -","2","0.5","","Zopes, David; Hegemann, Corinna; Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Single-source precursors for alloyed gold-silver nanocrystals - a molecular metallurgy approach.","Inorganic chemistry","2015","54","8","3781","3787","10.1021/ic502924s","","","0.71073","MoKα","","0.0488","0.0423","","","0.1148","0.1211","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342794","15.262","0.005","8.458","0.005","15.708","0.005","90","","102.128","0.005","90","","1982.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Ag Au F6 N2 -","- C16 H18 Ag Au F6 N2 -","- C64 H72 Ag4 Au4 F24 N8 -","4","0.5","","Zopes, David; Hegemann, Corinna; Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Single-source precursors for alloyed gold-silver nanocrystals - a molecular metallurgy approach.","Inorganic chemistry","2015","54","8","3781","3787","10.1021/ic502924s","","","0.71073","MoKα","","0.0388","0.03","","","0.0787","0.0834","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342795","4.03195","0.000004","4.03195","0.000004","18.5485","0.00003","90","","90","","90","","301.536","0.0006","293","","298","","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","?Ce2O2CdSe2?","- Cd Ce2 O2 Se2 -","- Cd Ce2 O2 Se2 -","- Cd2 Ce4 O4 Se4 -","2","0.125","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342796","11.731","0.0005","35.0321","0.0013","11.4006","0.0006","90","","98.19","0.004","90","","4637.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cu F6 N2 O P3 -","- C52 H40 Cu F6 N2 O P3 -","- C208 H160 Cu4 F24 N8 O4 P12 -","4","1","","Chai, Wenxiang; Hong, Mingwei; Song, Li; Jia, Guohua; Shi, Hongsheng; Guo, Jiayu; Shu, Kangying; Guo, Bing; Zhang, Yicheng; You, Wenwu; Chen, Xueyuan","Three reversible polymorphic copper(i) complexes triggered by ligand conformation: insights into polymorphic crystal habit and luminescent properties.","Inorganic chemistry","2015","54","9","4200","4207","10.1021/ic502709b","","","0.7107","MoKα","","0.077","0.0552","","","0.1435","0.1571","","","","","","1.042","","","","has coordinates","138191","2020-10-21","18:00:00",""
"4342797","11.0462","0.0004","30.5471","0.0012","13.9069","0.0006","90","","99.544","0.004","90","","4627.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cu F6 N2 O P3 -","- C52 H40 Cu F6 N2 O P3 -","- C208 H160 Cu4 F24 N8 O4 P12 -","4","1","","Chai, Wenxiang; Hong, Mingwei; Song, Li; Jia, Guohua; Shi, Hongsheng; Guo, Jiayu; Shu, Kangying; Guo, Bing; Zhang, Yicheng; You, Wenwu; Chen, Xueyuan","Three reversible polymorphic copper(i) complexes triggered by ligand conformation: insights into polymorphic crystal habit and luminescent properties.","Inorganic chemistry","2015","54","9","4200","4207","10.1021/ic502709b","","","0.7107","MoKα","","0.09","0.0635","","","0.1097","0.1181","","","","","","1.239","","","","has coordinates,has disorder","138191","2020-10-21","18:00:00",""
"4342798","14.6421","0.0004","15.393","0.0004","20.1585","0.0006","90","","98.68","0.003","90","","4491.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cu F6 N2 O P3 -","- C52 H40 Cu F6 N2 O P3 -","- C208 H160 Cu4 F24 N8 O4 P12 -","4","1","","Chai, Wenxiang; Hong, Mingwei; Song, Li; Jia, Guohua; Shi, Hongsheng; Guo, Jiayu; Shu, Kangying; Guo, Bing; Zhang, Yicheng; You, Wenwu; Chen, Xueyuan","Three reversible polymorphic copper(i) complexes triggered by ligand conformation: insights into polymorphic crystal habit and luminescent properties.","Inorganic chemistry","2015","54","9","4200","4207","10.1021/ic502709b","","","0.7107","MoKα","","0.0577","0.0363","","","0.0773","0.0845","","","","","","0.992","","","","has coordinates","138191","2020-10-21","18:00:00",""
"4342799","14.6885","0.0008","17.1772","0.0009","18.11","0.001","90","","90","","90","","4569.3","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H66 B Fe N3 O P2 -","- C49 H66 B Fe N3 O P2 -","- C196 H264 B4 Fe4 N12 O4 P8 -","4","1","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0387","0.0302","","","0.0641","0.0669","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342800","11.9","0.006","16.628","0.009","14.973","0.006","90","","114.13","0.03","90","","2704","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Br2 Fe N2 P2 -","- C22 H42 Br2 Fe N2 P2 -","- C88 H168 Br8 Fe4 N8 P8 -","4","1","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0264","0.0203","","","0.0477","0.0499","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342801","13.813","0.003","18.712","0.004","19.527","0.004","107.14","0.03","102.73","0.03","109.86","0.03","4238","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H282 Fe6 N12 O6 P12 -","- C154 H282 Fe6 N12 O6 P12 -","- C154 H282 Fe6 N12 O6 P12 -","1","0.5","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0794","0.0492","","","0.098","0.1112","","","","","","1.05","","","","has coordinates,has disorder","138192","2020-10-21","18:00:00",""
"4342802","31.167","0.0008","31.167","0.0008","19.4711","0.0004","90","","90","","90","","18913.9","0.8","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C138 H252 Fe6 N12 O6 P12 -","- C138 H252 Fe6 N12 O6 P12 -","- C552 H1008 Fe24 N48 O24 P48 -","4","0.5","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0779","0.051","","","0.13","0.1398","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342803","14.0003","0.0003","12.1692","0.0002","14.6711","0.0003","90","","105.867","0.002","90","","2404.32","0.08","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 N9 O21 Zn4 -","- C43 H47 N10 O21 Zn4 -","- C86 H94 N20 O42 Zn8 -","2","0.5","","Ahrenholtz, Spencer R.; Landaverde-Alvarado, Carlos; Whiting, Macauley; Lin, Shaoyang; Slebodnick, Carla; Marand, Eva; Morris, Amanda J.","Thermodynamic Study of CO2 Sorption by Polymorphic Microporous MOFs with Open Zn(II) Coordination Sites.","Inorganic chemistry","2015","54","9","4328","4336","10.1021/ic503047y","","","0.7107","MoKα","","0.0762","0.0468","","","0.1008","0.115","","","","","","1.04","","","","has coordinates,has disorder","138193","2020-10-21","18:00:00",""
"4342804","12.23325","0.00019","17.4883","0.0003","20.3322","0.0005","90","","90","","90","","4349.85","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O9 Zn2 -","- C19 H17 N3 O9 Zn2 -","- C152 H136 N24 O72 Zn16 -","8","1","","Ahrenholtz, Spencer R.; Landaverde-Alvarado, Carlos; Whiting, Macauley; Lin, Shaoyang; Slebodnick, Carla; Marand, Eva; Morris, Amanda J.","Thermodynamic Study of CO2 Sorption by Polymorphic Microporous MOFs with Open Zn(II) Coordination Sites.","Inorganic chemistry","2015","54","9","4328","4336","10.1021/ic503047y","","x-ray","0.71073","MoKα","","0.0677","0.0492","","","0.1036","0.1112","","","","","","1.11","","","","has coordinates,has disorder","138193","2020-10-21","18:00:00",""
"4342805","17.5355","0.0012","17.5355","0.0012","17.5355","0.0012","90","","90","","90","","5392.1","0.6","291","2","291","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C114 H108 Cl3 Cu12 N99 O36 -","- C113.976 H107.918 Cl3 Cu12 N99 O36 -","- C113.976 H107.918 Cl3 Cu12 N99 O36 -","1","0.0208333","","Duan, Jingui; Jin, Wanqin; Krishna, Rajamani","Natural gas purification using a porous coordination polymer with water and chemical stability.","Inorganic chemistry","2015","54","9","4279","4284","10.1021/ic5030058","","","0.71073","MoKα","","0.0633","0.0509","","","0.1311","0.132","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342806","26.2206","0.0008","13.6043","0.0005","16.1759","0.0006","90","","98.166","0.003","90","","5711.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 F6 N5 O3 P Ru -","- C25 H25 F6 N5 O3 P Ru -","- C200 H200 F48 N40 O24 P8 Ru8 -","8","1","","Rabten, Wangchuk; Kärkäs, Markus D; Åkermark, Torbjörn; Chen, Hong; Liao, Rong-Zhen; Tinnis, Fredrik; Sun, Junliang; Siegbahn, Per E. M.; Andersson, Pher G.; Åkermark, Björn","Catalytic water oxidation by a molecular ruthenium complex: unexpected generation of a single-site water oxidation catalyst.","Inorganic chemistry","2015","54","10","4611","4620","10.1021/ic502755c","","","0.71073","MoKα","","0.0615","0.0464","","","0.1019","0.1069","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342807","12.855","0.003","13.242","0.003","17.825","0.004","72.625","0.004","68.88","0.003","61.107","0.003","2449.2","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","dichloro(triphenylphosphoniodithiocarboxylato-S,S')bis(triphenylphosphine)- ruthenium(II)","","- C56 H45 Cl2 P3 Ru S4 -","- C56 H45 Cl2 P3 Ru S4 -","- C112 H90 Cl4 P6 Ru2 S8 -","2","1","","Ghiassi, Kamran B.; Walters, Daniel T.; Aristov, Michael M.; Loewen, Natalia D.; Berben, Louise A.; Rivera, Melissa; Olmstead, Marilyn M.; Balch, Alan L.","Formation of a Stable Complex, RuCl2(S2CPPh3)(PPh3)2, Containing an Unstable Zwitterion from the Reaction of RuCl2(PPh3)3 with Carbon Disulfide.","Inorganic chemistry","2015","54","9","4565","4573","10.1021/acs.inorgchem.5b00461","","","0.7749","synchrotron","","0.0518","0.0426","","","0.0961","0.1028","","","","","","1.046","","","","has coordinates,has disorder","138195","2020-10-21","18:00:00",""
"4342808","9.1979","0.0005","9.4053","0.0005","16.4401","0.0009","99.193","0.001","91.308","0.001","100.745","0.001","1377.3","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Mo N O3 P2 -","- C31 H29 Mo N O3 P2 -","- C62 H58 Mo2 N2 O6 P4 -","2","1","","Sherwood, Rebecca; Gonzàlez de Rivera, Ferran; Wan, Jane Hui; Zhang, Qi; White, Andrew J. P.; Rossell, Oriol; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes based on a diphosphine-dithiocarbamate ""janus"" ligand.","Inorganic chemistry","2015","54","9","4222","4230","10.1021/ic5028527","","","0.71073","MoKα","","0.0221","0.0212","","","0.0535","0.0541","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342809","11.4321","0.0003","17.1025","0.0005","15.394","0.0005","90","","100.016","0.003","90","","2963.92","0.15","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H66 Cl2 N2 O3.5 P4 Pd2 S4 -","- C58 H56 Cl2 N2 O2 P4 Pd2 S4 -","- C116 H112 Cl4 N4 O4 P8 Pd4 S8 -","2","0.5","","Sherwood, Rebecca; Gonzàlez de Rivera, Ferran; Wan, Jane Hui; Zhang, Qi; White, Andrew J. P.; Rossell, Oriol; Hogarth, Graeme; Wilton-Ely, James D E T","Multimetallic complexes based on a diphosphine-dithiocarbamate ""janus"" ligand.","Inorganic chemistry","2015","54","9","4222","4230","10.1021/ic5028527","","","0.71073","MoKα","","0.0805","0.0501","","","0.1004","0.1077","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342810","7.7693","0.0003","14.0374","0.0005","29.9826","0.0012","90","","90","","90","","3269.9","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H24 B10 Os -","- C10 H24 B10 Os -","- C80 H192 B80 Os8 -","8","1","","Simonov, Alexandr N.; Boas, John F.; Skidmore, Melissa A.; Forsyth, Craig M.; Mashkina, Elena; Bown, Mark; Bond, Alan M.","Redox Levels of a closo-Osmaborane: A Density Functional Theory, Electron Paramagnetic Resonance and Electrochemical Study.","Inorganic chemistry","2015","54","9","4292","4302","10.1021/ic503027g","","","0.71073","MoKα","","0.0247","0.0216","","","0.0483","0.0499","","","","","","1.1","","","","has coordinates","138197","2020-10-21","18:00:00",""
"4342811","13.1408","0.0007","14.8737","0.0008","17.967","0.0009","70.471","0.002","72.032","0.002","88.713","0.002","3135.5","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H79 N24 O62 Pt3 -","- C24 H29 N24 O37 Pt3 -","- C48 H58 N48 O74 Pt6 -","2","1","","Vasilchenko, Danila; Berdugin, Semen; Tkachev, Sergey; Baidina, Iraida; Romanenko, Galina; Gerasko, Olga; Korenev, Sergey","Polynuclear Hydroxido-Bridged Complexes of Platinum(IV) with Terminal Nitrato Ligands.","Inorganic chemistry","2015","54","10","4644","4651","10.1021/ic502896s","","x-ray","0.71073","MoKα","","0.1062","0.066","","","0.1914","0.2039","","","","","","1.101","","","","has coordinates","138130","2020-10-21","18:00:00",""
"4342812","11.13","0.002","14.73","0.003","15.637","0.003","66.238","0.005","71.669","0.005","79.704","0.005","2223.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H92 N34 O73 Pt4 -","- C36 H42 N34 O48 Pt4 -","- C36 H42 N34 O48 Pt4 -","1","0.5","","Vasilchenko, Danila; Berdugin, Semen; Tkachev, Sergey; Baidina, Iraida; Romanenko, Galina; Gerasko, Olga; Korenev, Sergey","Polynuclear Hydroxido-Bridged Complexes of Platinum(IV) with Terminal Nitrato Ligands.","Inorganic chemistry","2015","54","10","4644","4651","10.1021/ic502896s","","x-ray","0.71073","MoKα","","0.0668","0.0362","","","0.0743","0.0791","","","","","","0.906","","","","has coordinates","138130","2020-10-21","18:00:00",""
"4342813","12.303","0.008","12.691","0.009","18.188","0.009","82.03","0.02","76.276","0.017","81.987","0.018","2715","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H62 N18 O76 Pt6 -","- C24 H8 N18 O76 Pt6 -","- C24 H8 N18 O76 Pt6 -","1","0.5","","Vasilchenko, Danila; Berdugin, Semen; Tkachev, Sergey; Baidina, Iraida; Romanenko, Galina; Gerasko, Olga; Korenev, Sergey","Polynuclear Hydroxido-Bridged Complexes of Platinum(IV) with Terminal Nitrato Ligands.","Inorganic chemistry","2015","54","10","4644","4651","10.1021/ic502896s","","x-ray","0.71073","MoKα","","0.0957","0.0572","","","0.1654","0.1832","","","","","","1.01","","","","has coordinates,has disorder","138130","2020-10-21","18:00:00",""
"4342814","11.519","0.0013","13.4899","0.0016","16.7373","0.0019","90","","90","","90","","2600.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O10 U2 -","- C24 H22 N4 O10 U2 -","- C96 H88 N16 O40 U8 -","4","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0475","0.0333","","","0.0756","0.0821","","","","","","1.048","","","","has coordinates,has disorder","138198","2020-10-21","18:00:00",""
"4342815","10.1075","0.0005","19.0863","0.0009","16.2506","0.0007","90","","103.195","0.001","90","","3052.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O10 U2 -","- C28 H30 N4 O10 U2 -","- C112 H120 N16 O40 U8 -","4","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0449","0.0286","","","0.0508","0.0552","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342816","11.6277","0.0012","13.3121","0.0014","15.1435","0.0015","67.522","0.002","86.61","0.002","80.255","0.002","2134.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 N6 O16 U3 -","- C38 H34 N6 O16 U3 -","- C76 H68 N12 O32 U6 -","2","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0905","0.0484","","","0.1031","0.1185","","","","","","1.025","","","","has coordinates","138198","2020-10-21","18:00:00",""
"4342817","11.5574","0.0006","13.751","0.0007","16.8543","0.0009","90","","90","","90","","2678.6","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O10 U2 -","- C24 H22 N4 O10 U2 -","- C96 H88 N16 O40 U8 -","4","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0646","0.0382","","","0.0867","0.0993","","","","","","1.016","","","","has coordinates,has disorder","138198","2020-10-21","18:00:00",""
"4342818","10.1918","0.0007","19.2309","0.0013","16.4631","0.0011","90","","101.872","0.001","90","","3157.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 O10 U2 -","- C28 H30 N4 O10 U2 -","- C112 H120 N16 O40 U8 -","4","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.041","0.0279","","","0.0605","0.0657","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342819","11.6888","0.0009","13.3468","0.001","15.4003","0.0012","67.657","0.001","87.154","0.001","80.617","0.001","2192.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 N6 O16 U3 -","- C38 H34 N6 O16 U3 -","- C76 H68 N12 O32 U6 -","2","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.1312","0.0481","","","0.0869","0.1105","","","","","","0.946","","","","has coordinates","138198","2020-10-21","18:00:00",""
"4342820","17.888","0.005","18.35","0.006","22.569","0.007","90","","90","","90","","7408","4","100","2","100","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C32 H30 F12 N8 O0.25 P2 Ru -","- C32 H30 F12 N8 O0.25 P2 Ru -","- C256 H240 F96 N64 O2 P16 Ru8 -","8","1","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.0944","0.0667","","","0.1803","0.2081","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342821","11.138","0.003","12.996","0.004","14.487","0.004","78.682","0.005","87.424","0.006","84.084","0.006","2044.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 F12 N10 O P2 Ru -","- C37 H38 F12 N10 O P2 Ru -","- C74 H76 F24 N20 O2 P4 Ru2 -","2","1","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.0971","0.0596","","","0.1371","0.1551","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342822","13.842","0.004","13.903","0.004","23.006","0.007","88.429","0.006","85.538","0.007","79.015","0.006","4333","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H38 F12 N12 O0.25 P2 Ru -","- C40.5 H38 F12 N12 O0.25 P2 Ru -","- C162 H152 F48 N48 O P8 Ru4 -","4","2","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.0855","0.0513","","","0.1235","0.1441","","","","","","1.049","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342823","13.782","0.004","17.532","0.005","33.9","0.009","90","","90","","90","","8191","4","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H38 F12 N10 O P2 Ru -","- C37 H38 F12 N10 O P2 Ru -","- C296 H304 F96 N80 O8 P16 Ru8 -","8","1","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.1178","0.0515","","","0.1201","0.1631","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342824","12.8871","0.0011","16.0745","0.0014","21.5515","0.0019","99.134","0.001","95.005","0.001","105.864","0.001","4199.7","0.6","141","1","141","1","","","","","","","","7","P -1","-P 1","2","","","","- H66 N13 Na Np2 O84 P2 W18 -","- N12.787 Na Np2.213 O84.426 P2 W18 -","- N25.574 Na2 Np4.426 O168.852 P4 W36 -","2","1","","Berg, John M.; Gaunt, Andrew J.; May, Iain; Pugmire, Alison L.; Reilly, Sean D.; Scott, Brian L.; Wilkerson, Marianne P.","Unexpected Actinyl Cation-Directed Structural Variation in Neptunyl(VI) A-Type Tri-lacunary Heteropolyoxotungstate Complexes.","Inorganic chemistry","2015","54","9","4192","4199","10.1021/ic5024345","","","0.71073","MoKα","","0.0887","0.0548","","","0.1198","0.1301","","","","","","1.214","","","","has coordinates","138199","2020-10-21","18:00:00",""
"4342825","24.1798","0.0008","7.666","0.0002","23.0702","0.0008","90","","95.51","0.002","90","","4256.6","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","XW01","","","- C24 H27 N4 O1.5 V -","- C24 H27 N4 O1.5 V -","- C192 H216 N32 O12 V8 -","8","2","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.0522","0.0389","","","0.1032","0.1099","","","","","","1.044","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342826","13.2168","0.0003","13.4371","0.0003","18.6579","0.0004","102.568","0.001","96.738","0.001","118.684","0.001","2740.45","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","XY06","","","- C56 H53 F6 Mn N9 O8 S2 V -","- C56 H53 F6 Mn N9 O8 S2 V -","- C112 H106 F12 Mn2 N18 O16 S4 V2 -","2","1","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.0596","0.0489","","","0.1295","0.1377","","","","","","1.03","","","","has coordinates,has disorder","138137","2020-10-21","18:00:00",""
"4342827","18.3672","0.0011","15.7643","0.001","18.8744","0.0011","90","","113.486","0.002","90","","5012.3","0.5","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","XW-VOFe","","","- C53 H49 F6 Fe N9 O8 S2 V -","- C53 H49 F6 Fe N9 O8 S2 V -","- C212 H196 F24 Fe4 N36 O32 S8 V4 -","4","1","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.052","0.0356","","","0.0844","0.0933","","","","","","1.03","","","","has coordinates","138137","2020-10-21","18:00:00",""
"4342828","18.3347","0.0011","15.7616","0.001","19.1765","0.0012","90","","113.48","0.002","90","","5082.8","0.6","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","XW-VOCo","","","- C53 H49 Co F6 N9 O8 S2 V -","- C53 H49 Co F6 N9 O8 S2 V -","- C212 H196 Co4 F24 N36 O32 S8 V4 -","4","1","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.0609","0.0373","","","0.084","0.0943","","","","","","1.04","","","","has coordinates","138137","2020-10-21","18:00:00",""
"4342829","18.3482","0.0006","15.7837","0.0004","19.1046","0.0006","90","","113.556","0.002","90","","5071.7","0.3","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","XW-VONi","","","- C53 H49 F6 N9 Ni O8 S2 V -","- C53 H49 F6 N9 Ni O8 S2 V -","- C212 H196 F24 N36 Ni4 O32 S8 V4 -","4","1","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.0541","0.0336","","","0.0744","0.0825","","","","","","1.013","","","","has coordinates","138137","2020-10-21","18:00:00",""
"4342830","18.0595","0.0007","15.3356","0.0006","20.4359","0.0008","90","","113.311","0.002","90","","5197.8","0.4","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","XY05","","","- C53 H47 Cu F6 N9 O7 S2 V -","- C53 H47 Cu F6 N9 O7 S2 V -","- C212 H188 Cu4 F24 N36 O28 S8 V4 -","4","1","","Wu, Xinyuan; Huang, Tao; Lekich, Travis T.; Sommer, Roger D.; Weare, Walter W.","Synthesis of Unsupported d(1)-d(x) Oxido-Bridged Heterobimetallic Complexes Containing V(IV): A New Direction for Metal-to-Metal Charge Transfer.","Inorganic chemistry","2015","54","11","5322","5328","10.1021/acs.inorgchem.5b00370","","","0.71073","MoKα","","0.0553","0.0411","","","0.1113","0.1204","","","","","","1.032","","","","has coordinates","138137","2020-10-21","18:00:00",""
"4342831","17.7705","0.0009","22.3871","0.0012","23.521","0.0013","90","","90","","90","","9357.4","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Cu4 N4 O23 -","- C34 H52 Cu4 N4 O23 -","- C272 H416 Cu32 N32 O184 -","8","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New Tetracopper(II) Cubane Cores Driven by a Diamino Alcohol: Self-assembly Synthesis, Structural and Topological Features, and Magnetic and Catalytic Oxidation Properties.","Inorganic chemistry","2015","54","11","5204","5212","10.1021/acs.inorgchem.5b00048","","","0.71073","MoKα","","0.1624","0.0943","","","0.1671","0.189","","","","","","1.105","","","","has coordinates,has disorder","138138","2020-10-21","18:00:00",""
"4342832","12.838","0.006","13.677","0.004","15.199","0.003","85.959","0.005","83.915","0.006","69.114","0.004","2477.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Cu4 N4 O23.5 -","- C38 H56 Cu4 N4 O23.5 -","- C76 H112 Cu8 N8 O47 -","2","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New Tetracopper(II) Cubane Cores Driven by a Diamino Alcohol: Self-assembly Synthesis, Structural and Topological Features, and Magnetic and Catalytic Oxidation Properties.","Inorganic chemistry","2015","54","11","5204","5212","10.1021/acs.inorgchem.5b00048","","","0.71069","MoKα","","0.11","0.0588","","","0.1511","0.1685","","","","","","1.01","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342833","5.0852","0.0002","8.7458","0.0002","19.6004","0.0005","91.816","0.002","91.053","0.002","106.868","0.003","833.44","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl N6 O -","- C18 H15 Cl N6 O -","- C36 H30 Cl2 N12 O2 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.5418","CuKα","","0.0546","0.0497","","","0.1249","0.1272","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342834","12.9056","0.0005","13.0957","0.0005","13.4141","0.0004","82.7","0.003","83.386","0.003","74.063","0.003","2154.61","0.14","100","0.2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Cl2 Mn N14 O8 -","- C40 H30 Cl2 Mn N14 O8 -","- C80 H60 Cl4 Mn2 N28 O16 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.0919","0.0812","","","0.2278","0.2418","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342835","12.4714","0.0012","12.6899","0.0005","15.2546","0.0011","78.116","0.005","68.027","0.008","75.29","0.006","2148.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Fe N12 -","- C36 H24 Fe N12 -","- C72 H48 Fe2 N24 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.5418","CuKα","","0.1238","0.1001","","","0.2836","0.3","","","","","","1.051","","","","has coordinates","138141","2020-10-21","18:00:00",""
"4342836","12.6348","0.0004","12.7543","0.0004","13.288","0.0004","83.011","0.003","87.272","0.002","77.918","0.003","2077.8","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 B2 Cl3 Co F8 N13 -","- C39 H28 B2 Cl3 Co F8 N13 -","- C78 H56 B4 Cl6 Co2 F16 N26 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.0439","0.0415","","","0.1109","0.1134","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342837","12.7499","0.0005","12.8625","0.0004","13.4273","0.0005","83.253","0.003","87.858","0.003","77.55","0.003","2135.18","0.14","265","2","265","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 B2 Cl3 Co F8 N13 -","- C39 H28 B2 Cl3 Co F8 N13 -","- C78 H56 B4 Cl6 Co2 F16 N26 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.08","0.0668","","","0.1802","0.2001","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342838","16.9153","0.0005","8.9203","0.0002","23.4566","0.0006","90","","101.141","0.003","90","","3472.66","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 B2 Co F8 N12 -","- C36 H24 B2 Co F8 N12 -","- C144 H96 B8 Co4 F32 N48 -","4","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.0877","0.0704","","","0.1826","0.1975","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342839","12.6488","0.0003","12.7878","0.0003","13.3721","0.0004","83.081","0.002","87.073","0.002","76.993","0.002","2091.46","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 B2 Cl3 F8 N13 Ni -","- C39 H28 B2 Cl3 F8 N13 Ni -","- C78 H56 B4 Cl6 F16 N26 Ni2 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.0465","0.0423","","","0.1097","0.1142","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342840","16.3625","0.0001","10.8968","0.0001","21.5483","0.0002","90","","108.094","0.001","90","","3652.04","0.06","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 B2 Cu F8 N10 O4 -","- C30 H40 B2 Cu F8 N10 O4 -","- C120 H160 B8 Cu4 F32 N40 O16 -","4","0.5","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","0.71073","MoKα","","0.0489","0.0477","","","0.1428","0.1455","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342841","7.8448","0.0003","11.3531","0.0004","12.3304","0.0005","67.581","0.004","78.421","0.003","81.235","0.003","991.03","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Cl2 Cu N7 -","- C20 H15 Cl2 Cu N7 -","- C40 H30 Cl4 Cu2 N14 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","0.71073","MoKα","","0.0482","0.0438","","","0.1286","0.1345","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342842","12.5541","0.0005","13.0402","0.0006","14.6124","0.0009","66.737","0.005","81.932","0.004","72.687","0.004","2097.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 B2 F8 N14 Zn -","- C40 H30 B2 F8 N14 Zn -","- C80 H60 B4 F16 N28 Zn2 -","2","1","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","1.54184","CuKα","","0.0784","0.0587","","","0.1479","0.1636","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342843","23.826","0.005","19.696","0.004","7.4015","0.0014","90","","106.784","0.004","90","","3325.4","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Co N6 O6 -","- C32 H42 Co N6 O6 -","- C128 H168 Co4 N24 O24 -","4","0.5","","Polunin, Ruslan A.; Burkovskaya, Nataliya P.; Satska, Juliya A.; Kolotilov, Sergey V.; Kiskin, Mikhail A.; Aleksandrov, Grigory G.; Cador, Olivier; Ouahab, Lahcène; Eremenko, Igor L.; Pavlishchuk, Vitaly V.","Solvent-Induced Change of Electronic Spectra and Magnetic Susceptibility of Co(II) Coordination Polymer with 2,4,6-Tris(4-pyridyl)-1,3,5-triazine.","Inorganic chemistry","2015","54","11","5232","5238","10.1021/acs.inorgchem.5b00179","","","0.71073","MoKα","","0.1053","0.0517","","","0.114","0.1593","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342844","8.3796","0.0011","5.7173","0.0007","9.3378","0.0011","90","","115.194","0.003","90","","404.8","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui","Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.","Inorganic chemistry","2015","54","11","5462","5466","10.1021/acs.inorgchem.5b00478","","","0.71073","MoKα","","0.0353","0.0266","","","0.0506","0.0531","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342845","8.3819","0.0011","5.7198","0.0007","9.3376","0.0012","90","","115.15","0.003","90","","405.23","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Tang, Yun-Zhi; Xiong, Jian-Bo; Gao, Ji-Xing; Tan, Yu-Hui; Xu, Qing; Wen, He-Rui","Spontaneous resolution, asymmetric catalysis, and fluorescence properties of δ- and λ-[cu(tzmp)]N enantiomers from in situ [2 + 3] cycloaddition synthesis.","Inorganic chemistry","2015","54","11","5462","5466","10.1021/acs.inorgchem.5b00478","","","0.71073","MoKα","","0.0248","0.0224","","","0.0579","0.0591","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342846","19.573","0.005","14.57","0.005","21.236","0.005","90","0.005","92.948","0.005","90","0.005","6048","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H21 Dy2 F36 N3 O15 -","- C45 H21 Dy2 F36 N3 O15 -","- C180 H84 Dy8 F144 N12 O60 -","4","1","","Yi, Xiaohui; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Bernot, Kevin","Rational Organization of Lanthanide-Based SMM Dimers into Three-Dimensional Networks.","Inorganic chemistry","2015","54","11","5213","5219","10.1021/acs.inorgchem.5b00087","","","0.71069","MoKα","","0.073","0.0515","","","0.1394","0.1707","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342847","23.59","0.005","28.125","0.005","36.805","0.005","90","0.005","90","0.005","90","0.005","24419","8","150","2","150","2","","","","","","","","6","F 2 d d","F -2d 2","43","","","","- C45 H18 Eu2 F36 N3 O15 -","- C45 H18 Eu2 F36 N3 O15 -","- C720 H288 Eu32 F576 N48 O240 -","16","1","","Yi, Xiaohui; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Bernot, Kevin","Rational Organization of Lanthanide-Based SMM Dimers into Three-Dimensional Networks.","Inorganic chemistry","2015","54","11","5213","5219","10.1021/acs.inorgchem.5b00087","","","0.71069","MoKα","","0.0783","0.058","","","0.1457","0.1736","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342848","13.003","0.005","10.137","0.005","18.385","0.005","90","0.005","92.427","0.005","90","0.005","2421.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O1.75 Pd S -","- C27 H32 N2 O1.75 Pd S -","- C108 H128 N8 O7 Pd4 S4 -","4","1","","Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath","Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.","Inorganic chemistry","2015","54","11","5182","5194","10.1021/ic503103e","","","0.71069","MoKα","","0.0635","0.0426","","","0.0996","0.1365","","","","","","0.92","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342849","10.09","0.0014","10.8613","0.0015","15.041","0.002","98.245","0.002","101.789","0.002","99.79","0.002","1562.7","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H34 Cl2 F6 N2 O P Pd S -","- C28 H34 Cl2 F6 N2 O P Pd S -","- C56 H68 Cl4 F12 N4 O2 P2 Pd2 S2 -","2","1","","Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath","Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.","Inorganic chemistry","2015","54","11","5182","5194","10.1021/ic503103e","","","0.71073","MoKα","","0.0852","0.0708","","","0.1932","0.2179","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342850","9.3607","0.0006","9.9356","0.0007","20.6551","0.0013","103.51","0.001","101.039","0.001","94.595","0.001","1817.5","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H36 B2 Cl4 F8 N2 O Pd S -","- C29 H36 B2 Cl4 F8 N2 O Pd S -","- C58 H72 B4 Cl8 F16 N4 O2 Pd2 S2 -","2","1","","Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath","Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.","Inorganic chemistry","2015","54","11","5182","5194","10.1021/ic503103e","","","0.71073","MoKα","","0.0678","0.0524","","","0.1295","0.1601","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342851","21.153","0.004","11.155","0.002","20.546","0.004","90","","105.84","0.003","90","","4664","1.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl2 F6 N2 O P2 Pd S -","- C46 H49 Cl2 F6 N2 O P2 Pd S -","- C184 H196 Cl8 F24 N8 O4 P8 Pd4 S4 -","4","1","","Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath","Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.","Inorganic chemistry","2015","54","11","5182","5194","10.1021/ic503103e","","","0.71073","MoKα","","0.0604","0.0423","","","0.0992","0.133","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342852","10.387","0.0012","27.297","0.003","14.2014","0.0016","90","","110.552","0.004","90","","3770.3","0.7","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N3 S -","- C24 H17 N3 S -","- C192 H136 N24 S8 -","8","2","","Davidson, Ross; Liang, Jing-Hong; Costa Milan, David; Mao, Bing-Wei; Nichols, Richard J.; Higgins, Simon J.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes.","Inorganic chemistry","2015","54","11","5487","5494","10.1021/acs.inorgchem.5b00507","","x-ray","0.71073","MoKα","","0.1067","0.0595","","","0.1291","0.1495","","","","","","1.025","","","","has coordinates","138142","2020-10-21","18:00:00",""
"4342853","11.9071","0.0008","13.3199","0.0009","18.205","0.0012","83.173","0.002","75.2317","0.0019","82.196","0.002","2755.4","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H37 F12 N7 P2 Ru S2 -","- C50 H37 F12 N7 P2 Ru S2 -","- C100 H74 F24 N14 P4 Ru2 S4 -","2","1","","Davidson, Ross; Liang, Jing-Hong; Costa Milan, David; Mao, Bing-Wei; Nichols, Richard J.; Higgins, Simon J.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes.","Inorganic chemistry","2015","54","11","5487","5494","10.1021/acs.inorgchem.5b00507","","x-ray","0.71073","MoKα","","0.0906","0.0688","","","0.1765","0.1868","","","","","","1.023","","","","has coordinates","138142","2020-10-21","18:00:00",""
"4342854","12.926","0.002","13.311","0.002","29.507","0.004","99.1","0.002","90.219","0.002","115.547","0.002","4508.1","1.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H56 F24 N14 P4 Ru2 S2 -","- C76 H56 F24 N14 P4 Ru2 S2 -","- C152 H112 F48 N28 P8 Ru4 S4 -","2","1","","Davidson, Ross; Liang, Jing-Hong; Costa Milan, David; Mao, Bing-Wei; Nichols, Richard J.; Higgins, Simon J.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes.","Inorganic chemistry","2015","54","11","5487","5494","10.1021/acs.inorgchem.5b00507","","x-ray","0.71073","MoKα","","0.1399","0.0961","","","0.2575","0.2777","","","","","","1.089","","","","has coordinates,has disorder","138142","2020-10-21","18:00:00",""
"4342855","24.2554","0.0008","7.0916","0.0002","17.0588","0.0006","90","","97.086","0.0006","90","","2911.87","0.16","295","1","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K2 O15 Si6 U -","- K2 O15 Si6 U -","- K16 O120 Si48 U8 -","8","1","","Morrison, Gregory; Ramanantoanina, Harry; Urland, Werner; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue.","Inorganic chemistry","2015","54","11","5504","5511","10.1021/acs.inorgchem.5b00556","","","0.71073","MoKα","","0.0262","0.0259","","","0.0572","0.0574","","","","","","1.034","","","","has coordinates","138151","2020-10-21","18:00:00",""
"4342856","7.2196","0.0005","12.0518","0.0008","17.1967","0.0012","99.514","0.002","91.002","0.002","106.116","0.002","1414.52","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 O15 Si6 U -","- K2 O15 Si6 U -","- K8 O60 Si24 U4 -","4","2","","Morrison, Gregory; Ramanantoanina, Harry; Urland, Werner; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue.","Inorganic chemistry","2015","54","11","5504","5511","10.1021/acs.inorgchem.5b00556","","","0.71073","MoKα","","0.0351","0.0294","","","0.0604","0.0624","","","","","","1.047","","","","has coordinates","138151","2020-10-21","18:00:00",""
"4342857","24.3902","0.0008","7.165","0.0002","17.2715","0.0006","90","","96.86","0.0006","90","","2996.69","0.17","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O15 Rb2 Si6 U -","- O15 Rb2 Si6 U -","- O120 Rb16 Si48 U8 -","8","1","","Morrison, Gregory; Ramanantoanina, Harry; Urland, Werner; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue.","Inorganic chemistry","2015","54","11","5504","5511","10.1021/acs.inorgchem.5b00556","","","0.71073","MoKα","","0.0362","0.0355","","","0.0748","0.0751","","","","","","1.088","","","","has coordinates","138151","2020-10-21","18:00:00",""
"4342858","10.8445","0.0008","13.501","0.001","25.2225","0.0018","90","","95.156","0.002","90","","3677.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Mo N6 O4 -","- C38 H48 Mo N6 O4 -","- C152 H192 Mo4 N24 O16 -","4","1","","Chatterjee, Ipsita; Saha Chowdhury, Nabanita; Ghosh, Pradip; Goswami, Sreebrata","Octacoordinated Dioxo-Molybdenum Complex via Formal Oxidative Addition of Molecular Oxygen. Studies of Chemical Reactions Between M(CO)6 (M = Cr, Mo) and 2,4-Di-tert-butyl-6-(pyridin-2-ylazo)-phenol.","Inorganic chemistry","2015","54","11","5257","5265","10.1021/acs.inorgchem.5b00218","","","0.71073","MoKα","","0.0567","0.0368","","","0.0759","0.0832","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4342859","18.21","0.003","15.258","0.002","17.196","0.003","90","","113.908","0.004","90","","4367.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Cr N6 O2 -","- C38 H48 Cr N6 O2 -","- C152 H192 Cr4 N24 O8 -","4","0.5","","Chatterjee, Ipsita; Saha Chowdhury, Nabanita; Ghosh, Pradip; Goswami, Sreebrata","Octacoordinated Dioxo-Molybdenum Complex via Formal Oxidative Addition of Molecular Oxygen. Studies of Chemical Reactions Between M(CO)6 (M = Cr, Mo) and 2,4-Di-tert-butyl-6-(pyridin-2-ylazo)-phenol.","Inorganic chemistry","2015","54","11","5257","5265","10.1021/acs.inorgchem.5b00218","","","0.71073","MoKα","","0.0461","0.0371","","","0.105","0.1113","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342860","19.983","0.006","10.545","0.003","20.782","0.006","90","","92.786","0.009","90","","4374","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cr I3 N6 O2 -","- C38 H48 Cr I3 N6 O2 -","- C152 H192 Cr4 I12 N24 O8 -","4","1","","Chatterjee, Ipsita; Saha Chowdhury, Nabanita; Ghosh, Pradip; Goswami, Sreebrata","Octacoordinated Dioxo-Molybdenum Complex via Formal Oxidative Addition of Molecular Oxygen. Studies of Chemical Reactions Between M(CO)6 (M = Cr, Mo) and 2,4-Di-tert-butyl-6-(pyridin-2-ylazo)-phenol.","Inorganic chemistry","2015","54","11","5257","5265","10.1021/acs.inorgchem.5b00218","","","0.71073","MoKα","","0.092","0.0505","","","0.1281","0.1589","","","","","","0.896","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342861","8.5704","0.0001","19.5441","0.0001","21.4191","0.0003","90","","90","","90","","3587.72","0.07","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 B2 O11 Tb -","- C14 H10 B2 O11 Tb -","- C112 H80 B16 O88 Tb8 -","8","1","","Fan, Xiao; Freslon, Stéphane; Daiguebonne, Carole; Pollès, Laurent Le; Calvez, Guillaume; Bernot, Kevin; Yi, Xiaohui; Huang, Gang; Guillou, Olivier","A family of lanthanide-based coordination polymers with boronic Acid as ligand.","Inorganic chemistry","2015","54","11","5534","5546","10.1021/acs.inorgchem.5b00635","","x-ray","0.71073","MoKα","","0.0631","0.0385","","","0.0938","0.1062","","","","","","1.077","","","","has coordinates","138170","2020-10-21","18:00:00",""
"4342862","7.498","0.01","12.406","0.005","12.8","0.004","91.01","0.01","90.86","0.04","107.31","0.06","1136.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 N7 O9 Tl -","- C17 H32 N7 O9 Tl -","- C34 H64 N14 O18 Tl2 -","2","1","","Fodor, Tamás; Bányai, István; Bényei, Attila; Platas-Iglesias, Carlos; Purgel, Mihály; Horváth, Gábor L; Zékány, László; Tircsó, Gyula; Tóth, Imre","[Tl(III)(dota)](-): An Extraordinarily Robust Macrocyclic Complex.","Inorganic chemistry","2015","54","11","5426","5437","10.1021/acs.inorgchem.5b00458","","","0.71073","MoKα","","0.0624","0.0573","","","","0.1557","","","","","","1.089","","","","has coordinates","138145","2020-10-21","18:00:00",""
"4342863","19.902","0.003","29.796","0.004","17.541","0.002","90","","95.096","0.002","90","","10361","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H33 Ir N6 O6 -","- C48 H33 Ir N6 O6 -","- C384 H264 Ir8 N48 O48 -","8","1","","Kando, Aya; Hisamatsu, Yosuke; Ohwada, Hiroki; Itoh, Taiki; Moromizato, Shinsuke; Kohno, Masahiro; Aoki, Shin","Photochemical Properties of Red-Emitting Tris(cyclometalated) Iridium(III) Complexes Having Basic and Nitro Groups and Application to pH Sensing and Photoinduced Cell Death.","Inorganic chemistry","2015","54","11","5342","5357","10.1021/acs.inorgchem.5b00369","","","0.71073","MoKα","","0.0744","0.0573","","","0.1712","0.1935","","","","","","1.076","","","","has coordinates,has disorder","138150","2020-10-21","18:00:00",""
"4342864","8.9112","0.0009","12.4727","0.0013","20.138","0.002","87.646","0.002","87.333","0.002","80.118","0.002","2201.4","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","compound 4","","","- C48 H41 Mo2 N O5 P2 Pt S -","- C48 H41 Mo2 N O5 P2 Pt S -","- C96 H82 Mo4 N2 O10 P4 Pt2 S2 -","2","1","","Todisco, Stefano; Mastrorilli, Piero; Latronico, Mario; Gallo, Vito; Englert, Ulli; Re, Nazzareno; Creati, Francesco; Braunstein, Pierre","Sulfur-Assisted Phenyl Migration from Phosphorus to Platinum in PtW2 and PtMo2 Clusters Containing Thioether-Functionalized Short-Bite Ligands of the Bis(diphenylphosphanyl)amine-Type.","Inorganic chemistry","2015","54","10","4777","4798","10.1021/acs.inorgchem.5b00223","","","0.71073","MoKα","","0.0584","0.0398","","","0.0602","0.0644","","","","","","1.005","","","","has coordinates","138104","2020-10-21","18:00:00",""
"4342865","11.5033","0.0008","13.1859","0.0009","16.4015","0.0011","68.716","0.001","77.745","0.001","78.526","0.001","2244.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","compound 9","","","- C49 H51 N O5.5 P2 Pt S W2 -","- C49 H51 N O5.5 P2 Pt S W2 -","- C98 H102 N2 O11 P4 Pt2 S2 W4 -","2","1","","Todisco, Stefano; Mastrorilli, Piero; Latronico, Mario; Gallo, Vito; Englert, Ulli; Re, Nazzareno; Creati, Francesco; Braunstein, Pierre","Sulfur-Assisted Phenyl Migration from Phosphorus to Platinum in PtW2 and PtMo2 Clusters Containing Thioether-Functionalized Short-Bite Ligands of the Bis(diphenylphosphanyl)amine-Type.","Inorganic chemistry","2015","54","10","4777","4798","10.1021/acs.inorgchem.5b00223","","","0.71073","MoKα","","0.0534","0.0395","","","0.0746","0.0792","","","","","","0.995","","","","has coordinates,has disorder","138104","2020-10-21","18:00:00",""
"4342866","22.0242","0.0019","32.654","0.003","21.569","0.002","90","","128.919","0.003","90","","12069","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 Dy F18 N4 O6 S6 -","- C49 H39 Dy F18 N4 O6 S6 -","- C392 H312 Dy8 F144 N32 O48 S48 -","8","1","","Pointillart, Fabrice; Jung, Julie; Berraud-Pache, Romain; Le Guennic, Boris; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Maury, Olivier; Guyot, Yannick; Decurtins, Silvio; Liu, Shi-Xia; Ouahab, Lahcène","Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand.","Inorganic chemistry","2015","54","11","5384","5397","10.1021/acs.inorgchem.5b00441","","","0.71073","MoKα","","0.2225","0.0789","","","0.1487","0.1982","","","","","","0.944","","","","has coordinates","138134","2020-10-21","18:00:00",""
"4342867","19.4111","0.0011","20.991","0.0011","34.2648","0.0016","90","","90","","90","","13961.5","1.3","293","2","293","2","","","","","","","synthesis as described","7","P b n a","-P 2ac 2b","60","","","","- C58 H48 Dy F9 N4 O6 S9 -","- C58 H48 Dy F9 N4 O6 S9 -","- C464 H384 Dy8 F72 N32 O48 S72 -","8","1","","Pointillart, Fabrice; Jung, Julie; Berraud-Pache, Romain; Le Guennic, Boris; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Maury, Olivier; Guyot, Yannick; Decurtins, Silvio; Liu, Shi-Xia; Ouahab, Lahcène","Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand.","Inorganic chemistry","2015","54","11","5384","5397","10.1021/acs.inorgchem.5b00441","","x-ray","0.71073","MoKα","","0.1649","0.0962","","","0.2606","0.2985","","","","","","0.904","","","","has coordinates,has disorder","138134","2020-10-21","18:00:00",""
"4342868","18.705","0.003","14.048","0.002","23.527","0.004","90","","90","","90","","6182.1","1.7","291","2","291","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H56 Cl4 Er N7 O11 -","- C62 H56 Cl4 Er N7 O11 -","- C248 H224 Cl16 Er4 N28 O44 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0845","0.0407","","","0.0754","0.0886","","","","","","0.959","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342869","18.705","0.003","14.048","0.002","23.527","0.004","90","","90","","90","","6182.1","1.7","291","2","291","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C62 H56 Cl4 N7 O11 Yb -","- C62 H56 Cl4 N7 O11 Yb -","- C248 H224 Cl16 N28 O44 Yb4 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0439","0.0338","","","0.0923","0.1115","","","","","","1.125","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4342870","18.881","0.003","21.899","0.004","13.895","0.002","90","","104.524","0.003","90","","5561.6","1.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 Cl4 Er N7 O7 -","- C60 H48 Cl4 Er N7 O7 -","- C240 H192 Cl16 Er4 N28 O28 -","4","1","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0976","0.0568","","","0.1448","0.1591","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342871","19.03","0.004","21.908","0.005","13.942","0.003","90","","104.955","0.004","90","","5616","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H51 Cl4 Ho N8 O7 -","- C62 H51 Cl4 Ho N8 O7 -","- C248 H204 Cl16 Ho4 N32 O28 -","4","1","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0516","0.0346","","","0.0852","0.0911","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342872","13.254","0.005","14.856","0.006","16.855","0.007","67.948","0.007","78.837","0.007","76.295","0.006","2968","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 Cl4 N8 O14 Zn2 -","- C62 H56 Cl4 N8 O14 Zn2 -","- C124 H112 Cl8 N16 O28 Zn4 -","2","1","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.1549","0.0657","","","0.1152","0.1347","","","","","","1","","","","has coordinates","138135","2020-10-21","18:00:00",""
"4342873","20.58","0.002","21.589","0.002","13.637","0.0013","90","","90","","90","","6058.9","1","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H60 Cl4 N8 O12 Zn2 -","- C64 H60 Cl4 N8 O12 Zn2 -","- C256 H240 Cl16 N32 O48 Zn8 -","4","0.5","","Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei","Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.","Inorganic chemistry","2015","54","11","5295","5300","10.1021/acs.inorgchem.5b00283","","","0.71073","MoKα","","0.0526","0.0406","","","0.1118","0.1183","","","","","","1.055","","","","has coordinates","138135","2020-10-21","18:00:00",""
"4342874","10.7075","0.0006","19.3757","0.0009","19.4865","0.0011","84.271","0.002","83.044","0.002","76.644","0.002","3893.7","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Ce2 Mo2 N31 O12 -","- C58 H50 Ce2 Mo2 N31 O12 -","- C116 H100 Ce4 Mo4 N62 O24 -","2","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0669","0.0441","","","0.1067","0.1437","","","","","","1.113","","","","has coordinates,has disorder","138106","2020-10-21","18:00:00",""
"4342875","10.6951","0.0002","19.3207","0.0004","19.4637","0.0004","84.226","0.001","82.926","0.001","76.578","0.001","3871.47","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Mo2 N31 O12 Pr2 -","- C58 H52 Mo2 N31 O12 Pr2 -","- C116 H104 Mo4 N62 O24 Pr4 -","2","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0434","0.0358","","","0.1049","0.1172","","","","","","1.06","","","","has coordinates,has disorder","138106","2020-10-21","18:00:00",""
"4342876","12.5363","0.0009","19.9887","0.0014","14.015","0.0009","90","","93.063","0.002","90","","3506.9","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Mo N14 O7 Pr -","- C26 H25 Mo N14 O7 Pr -","- C104 H100 Mo4 N56 O28 Pr4 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.1121","0.066","","","0.1516","0.1788","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342877","10.6983","0.0003","19.2456","0.0007","19.369","0.0008","84.116","0.001","82.822","0.001","76.653","0.001","3838.6","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Mo2 N31 Nd2 O12 -","- C58 H50 Mo2 N31 Nd2 O12 -","- C116 H100 Mo4 N62 Nd4 O24 -","2","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.1929","0.0994","","","0.2298","0.3189","","","","","","1.079","","","","has coordinates,has disorder","138106","2020-10-21","18:00:00",""
"4342878","12.5309","0.0004","19.8875","0.0006","13.977","0.0005","90","","93.008","0.001","90","","3478.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Mo N14 Nd O7 -","- C26 H25 Mo N14 Nd O7 -","- C104 H100 Mo4 N56 Nd4 O28 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0328","0.0281","","","0.0669","0.0689","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342879","12.5552","0.0006","19.8456","0.001","13.9555","0.0008","90","","93.215","0.002","90","","3471.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Mo N14 O7 Sm -","- C26 H25 Mo N14 O7 Sm -","- C104 H100 Mo4 N56 O28 Sm4 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0498","0.0325","","","0.065","0.0777","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342880","12.5579","0.0004","19.7788","0.0007","13.9344","0.0005","90","","93.294","0.001","90","","3455.3","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Eu Mo N14 O7 -","- C26 H25 Eu Mo N14 O7 -","- C104 H100 Eu4 Mo4 N56 O28 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0464","0.0322","","","0.0641","0.0757","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342881","12.5669","0.0004","19.7661","0.0006","13.9414","0.0005","90","","93.468","0.001","90","","3456.7","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Gd Mo N14 O7 -","- C26 H25 Gd Mo N14 O7 -","- C104 H100 Gd4 Mo4 N56 O28 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0743","0.0448","","","0.084","0.0936","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342882","12.5416","0.0007","19.6912","0.0011","13.8981","0.0008","90","","93.478","0.002","90","","3425.9","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Mo N14 O7 Tb -","- C26 H25 Mo N14 O7 Tb -","- C104 H100 Mo4 N56 O28 Tb4 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0578","0.0379","","","0.0732","0.0811","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342883","12.544","0.0005","19.6692","0.0008","13.8981","0.0005","90","","93.53","0.001","90","","3422.6","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Dy Mo N14 O7 -","- C26 H25 Dy Mo N14 O7 -","- C104 H100 Dy4 Mo4 N56 O28 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0753","0.0514","","","0.114","0.1244","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342884","10.4302","0.0006","19.212","0.001","17.649","0.0009","90","","97.841","0.002","90","","3503.5","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Ho Mo N14 O5 -","- C25 H8 Ho Mo N14 O5 -","- C100 H32 Ho4 Mo4 N56 O20 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0975","0.0777","","","0.1195","0.127","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342885","10.4182","0.0003","19.1714","0.0005","17.5918","0.0006","90","","97.806","0.001","90","","3481.08","0.18","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Er Mo N14 O5 -","- C25 H8 Er Mo N14 O5 -","- C100 H32 Er4 Mo4 N56 O20 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0685","0.0627","","","0.1286","0.132","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342886","10.4248","0.0002","19.134","0.0004","17.5382","0.0004","90","","97.91","0.001","90","","3465.03","0.13","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Mo N14 O5 Tm -","- C25 H8 Mo N14 O5 Tm -","- C100 H32 Mo4 N56 O20 Tm4 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0781","0.0635","","","0.1285","0.1364","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342887","10.4149","0.0003","19.0928","0.0007","17.515","0.0005","90","","98.053","0.001","90","","3448.51","0.19","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H8 Mo N14 O5 Yb -","- C25 H8 Mo N14 O5 Yb -","- C100 H32 Mo4 N56 O20 Yb4 -","4","1","","Chorazy, Szymon; Arczynski, Mirosław; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi","Visible to Near-Infrared Emission from Ln(III)(Bis-oxazoline)-[Mo(V)(CN)8] (Ln = Ce-Yb) Magnetic Coordination Polymers Showing Unusual Lanthanide-Dependent Sliding of Cyanido-Bridged Layers.","Inorganic chemistry","2015","54","10","4724","4736","10.1021/acs.inorgchem.5b00040","","","0.71075","MoKα","","0.0687","0.0607","","","0.1127","0.1173","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342888","14.2498","0.0018","14.2498","0.0018","18.506","0.003","90","","90","","120","","3254.3","0.8","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C59 H108 Ca3 N12 O2 Si -","- C58.9992 H107.998 Ca3 N12 O1.9998 Si -","- C117.998 H215.997 Ca6 N24 O3.9996 Si2 -","2","0.333333","","Leich, Valeri; Spaniol, Thomas P.; Okuda, Jun","Formation of a Cationic Calcium Hydride Cluster with a ""Naked"" Triphenylsilyl Anion by Hydrogenolysis of Bis(triphenylsilyl)calcium.","Inorganic chemistry","2015","54","10","4927","4933","10.1021/acs.inorgchem.5b00527","","","0.71073","MoKα","","0.0677","0.055","","","0.123","0.1314","","","","","","1.09","","","","has coordinates,has disorder","138107","2020-10-21","18:00:00",""
"4342889","11.9124","0.0003","16.7703","0.0004","22.7908","0.001","76.84","0.003","80.306","0.003","71.624","0.002","4184.3","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H36 Cl3 Cr F6 N2 O6 P -","- C38 H36 Cl3 Cr F6 N2 O6 P -","- C152 H144 Cl12 Cr4 F24 N8 O24 P4 -","4","2","","Giner, Elena A.; Santiago, Alicia; Gómez-Gallego, Mar; Ramírez de Arellano, Carmen; Poulten, Rebecca C.; Whittlesey, Michael K.; Sierra, Miguel A.","Mono- and bimetallic zwitterionic chromium(0) and tungsten(0) allenyls.","Inorganic chemistry","2015","54","11","5450","5461","10.1021/acs.inorgchem.5b00492","","","0.71073","MoKα","","0.1498","0","","","0.2272","0.2562","","","","","","1.081","","","","has coordinates,has disorder","138136","2020-10-21","18:00:00",""
"4342890","17.921","0.002","17.921","0.002","17.921","0.002","90","","90","","90","","5755.5","1.1","180","2","180","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- Cu32 H8 Na4 O4 S48 Sn12 -","- Cu32 H20.4 Na4.08 O4 S48 Sn12 -","- Cu64 H40.8 Na8.16 O8 S96 Sn24 -","2","0.0104167","","Zhang, Xian; Wang, Qiuran; Ma, Zhimin; He, Jianqiao; Wang, Zhe; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Synthesis, Structure, Multiband Optical, and Electrical Conductive Properties of a 3D Open Cubic Framework Based on [Cu8Sn6S24](z-) Clusters.","Inorganic chemistry","2015","54","11","5301","5308","10.1021/acs.inorgchem.5b00317","","","0.71073","MoKα","","0.0524","0.0435","","","0.1005","0.1049","","","","","","1.254","","","","has coordinates","138139","2020-10-21","18:00:00",""
"4342891","18.0559","0.0006","18.0559","0.0006","18.0559","0.0006","90","","90","","90","","5886.5","0.3","180","2","180","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- Cu32 H8 K11 O4 S48 Sn12 -","- Cu32 H20.4 K11.04 O4 S48 Sn12 -","- Cu64 H40.8 K22.08 O8 S96 Sn24 -","2","0.0104167","","Zhang, Xian; Wang, Qiuran; Ma, Zhimin; He, Jianqiao; Wang, Zhe; Zheng, Chong; Lin, Jianhua; Huang, Fuqiang","Synthesis, Structure, Multiband Optical, and Electrical Conductive Properties of a 3D Open Cubic Framework Based on [Cu8Sn6S24](z-) Clusters.","Inorganic chemistry","2015","54","11","5301","5308","10.1021/acs.inorgchem.5b00317","","","0.71073","MoKα","","0.0688","0.0539","","","0.1591","0.1683","","","","","","1.169","","","","has coordinates","138139","2020-10-21","18:00:00",""
"4342892","27.1109","0.001","11.8497","0.0004","27.5348","0.001","90","","115.721","0.002","90","","7969.3","0.5","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Na2[Fe(CNArMes2)4]","","","- C100 H100 Fe N4 Na2 -","- C100 H100 Fe N4 Na2 -","- C400 H400 Fe4 N16 Na8 -","4","1","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","1.54178","CuKα","","0.0773","0.0629","","","0.1637","0.1714","","","","","","1.072","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342893","8.2857","0.0003","18.0545","0.0007","8.6241","0.0003","90","","96.625","0.002","90","","1281.5","0.08","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Fe(CO)4(CNArMes2)","","- C29 H25 Fe N O4 -","- C29 H25 Fe N O4 -","- C58 H50 Fe2 N2 O8 -","2","0.5","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0374","0.0313","","","0.0722","0.0755","","","","","","1.073","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342894","26.7165","0.0011","13.6599","0.0005","27.7314","0.0011","90","","117.941","0.003","90","","8940.7","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fe(CO)3(CNArMes2)2","","","- C53 H50 Fe N2 O3 -","- C53 H50 Fe N2 O3 -","- C424 H400 Fe8 N16 O24 -","8","2","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.1133","0.0593","","","0.1055","0.1202","","","","","","1.041","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342895","13.5946","0.0005","14.6648","0.0005","15.0797","0.0005","64.878","0.002","64.999","0.002","64.824","0.001","2353.46","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","cis,cis,trans-FeI2(CO)2(CNArMes2)2","","","- C52 H50 Fe I2 N2 O2 -","- C52 H50 Fe I1.9999 N2 O2 -","- C104 H100 Fe2 I3.9998 N4 O4 -","2","1","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0525","0.0412","","","0.0954","0.1015","","","","","","1.037","","","","has coordinates,has disorder","138140","2020-10-21","18:00:00",""
"4342896","16.26","0.002","16.648","0.003","18.225","0.003","64.902","0.005","89.753","0.006","62.646","0.005","3855.1","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","[Na(18-c-6)][Fe(azulene)(CNArMes2)2]","","","- C89 H104 Fe N3 Na O6.5 -","- C89 H104 Fe N3 Na O6.5 -","- C178 H208 Fe2 N6 Na2 O13 -","2","1","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.155","0.117","","","0.2913","0.3111","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4342897","13.4873","0.001","27.8985","0.0017","22.7298","0.0014","90","","90.479","0.005","90","","8552.4","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Na[HFe(CNArMes2)4]","","","- C105 H113 Fe N4 Na -","- C105 H113 Fe N4 Na -","- C420 H452 Fe4 N16 Na4 -","4","1","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","1.54178","CuKα","","0.0941","0.0556","","","0.1222","0.1352","","","","","","1.007","","","","has coordinates,has disorder","138140","2020-10-21","18:00:00",""
"4342898","16.195","0.002","23.161","0.003","21.453","0.003","90","","97.426","0.006","90","","7979.4","1.8","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Fe(N2)(CNArMes2)4","","","- C100 H100 Fe N6 -","- C100 H100 Fe N6 -","- C400 H400 Fe4 N24 -","4","0.5","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0778","0.0441","","","0.0935","0.1046","","","","","","1.016","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342899","7.8487","0.0009","21.294","0.003","11.8949","0.0014","90","","95.471","0.002","90","","1978.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Fe(CNArMes2)]2","","","- C50 H50 Fe2 N2 -","- C50 H50 Fe2 N2 -","- C100 H100 Fe4 N4 -","2","0.5","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0797","0.0609","","","0.1689","0.1884","","","","","","1.043","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342900","13.7638","0.0011","7.245","0.0005","18.9715","0.0015","90","","96.205","0.003","90","","1880.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclo-CNArMes2_imine","","","- C25 H25 N -","- C25 H25 N -","- C100 H100 N4 -","4","1","","Mokhtarzadeh, Charles C.; Margulieux, Grant W.; Carpenter, Alex E.; Weidemann, Nils; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Synthesis and protonation of an encumbered iron tetraisocyanide dianion.","Inorganic chemistry","2015","54","11","5579","5587","10.1021/acs.inorgchem.5b00730","","x-ray","0.71073","MoKα","","0.0868","0.0492","","","0.1026","0.1188","","","","","","1.024","","","","has coordinates","138140","2020-10-21","18:00:00",""
"4342901","8.5259","0.0017","10.197","0.002","10.315","0.002","91.18","0.03","99.6","0.03","94.89","0.03","880.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 O4 Te -","- C20 H18 O4 Te -","- C40 H36 O8 Te2 -","2","1","","Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.","Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.","Inorganic chemistry","2015","54","10","4934","4939","10.1021/acs.inorgchem.5b00537","","","0.71073","MoKα","","0.0648","0.0628","","","0.1702","0.1733","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342902","10.84","0.002","11.056","0.002","12.188","0.002","71.11","0.03","75.36","0.03","62.77","0.03","1219.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cl3 F3 O5 S Te -","- C20 H16 Cl3 F3 O5 S Te -","- C40 H32 Cl6 F6 O10 S2 Te2 -","2","1","","Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.","Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.","Inorganic chemistry","2015","54","10","4934","4939","10.1021/acs.inorgchem.5b00537","","","0.71073","MoKα","","0.0648","0.0449","","","0.0916","0.1067","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342903","14.3566","0.0007","10.5736","0.0006","35.4072","0.0017","90","","92.06","0.004","90","","5371.4","0.5","173","2","173","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C26 H26 F3 N2 O3.5 S Te -","- C26 H26 F3 N2 O3.5 S Te -","- C208 H208 F24 N16 O28 S8 Te8 -","8","1","","Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.","Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.","Inorganic chemistry","2015","54","10","4934","4939","10.1021/acs.inorgchem.5b00537","","","0.71073","MoKα","","0.0428","0.0338","","","0.0848","0.0924","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4342904","10.3659","0.0004","11.4042","0.0004","16.8517","0.0007","104.834","0.003","92.187","0.003","97.483","0.003","1904.01","0.13","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H46 Ge N4 O6 Ru2 Si2 -","- C30 H46 Ge N4 O6 Ru2 Si2 -","- C60 H92 Ge2 N8 O12 Ru4 Si4 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","1.5418","CuKα","","0.0377","0.0285","","","0.0681","0.0723","","","","","","1.013","","","","has coordinates","138110","2020-10-21","18:00:00",""
"4342905","19.7723","0.0001","14.2072","0.0001","19.5369","0.0001","90","","95.753","0.001","90","","5460.45","0.06","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C105 H126 Ge2 N6 O10 P4 Ru4 Si4 -","- C105 H126 Ge2 N6 O10 P4 Ru4 Si4 -","- C210 H252 Ge4 N12 O20 P8 Ru8 Si8 -","2","0.5","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","1.5418","CuKα","","0.0393","0.0284","","","0.0669","0.0733","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342906","12.6092","0.0007","12.6538","0.0006","17.234","0.0008","75.624","0.004","70.512","0.005","61.635","0.005","2267.6","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H62 Ge N4 O5 Ru2 Si3 -","- C35 H62 Ge N4 O5 Ru2 Si3 -","- C70 H124 Ge2 N8 O10 Ru4 Si6 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","1.5418","CuKα","","0.0443","0.0326","","","0.0801","0.0876","","","","","","0.992","","","","has coordinates,has disorder","138110","2020-10-21","18:00:00",""
"4342907","15.7223","0.0006","34.6848","0.0007","15.6391","0.0005","90","0.004","112.594","0.004","90","","7873.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H101 Ge2 N8 O10 Ru4 Si4 -","- C61 H101 Ge2 N8 O10 Ru4 Si4 -","- C244 H404 Ge8 N32 O40 Ru16 Si16 -","4","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","0.71073","MoKα","","0.1244","0.0632","","","0.0768","0.0936","","","","","","1.027","","","","has coordinates","138110","2020-10-21","18:00:00",""
"4342908","15.3441","0.0006","12.3982","0.0002","17.9119","0.0007","90","","115.2","0.005","90","","3083.2","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H74 Ge2 N6 O9 Ru4 Si4 -","- C47 H74 Ge2 N6 O9 Ru4 Si4 -","- C94 H148 Ge4 N12 O18 Ru8 Si8 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Reactivity Studies on a Binuclear Ruthenium(0) Complex Equipped with a Bridging κ(2)N,Ge-Amidinatogermylene Ligand.","Inorganic chemistry","2015","54","10","4850","4861","10.1021/acs.inorgchem.5b00412","","","1.5418","CuKα","","0.065","0.0558","","","0.1398","0.1491","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342909","9.2076","0.0013","14.717","0.002","43.004","0.006","90","","90","","90","","5827.4","1.4","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C47 H81 Er K2 O14 -","- C47 H81 Er K2 O14 -","- C188 H324 Er4 K8 O56 -","4","0.5","","Han, Tian; Ding, You-Song; Leng, Ji-Dong; Zheng, Zhiping; Zheng, Yan-Zhen","Polymeric Perturbation to the Magnetic Relaxations of the C2v-Symmetric [Er(Cp)2(OBu)2](-) Anion.","Inorganic chemistry","2015","54","10","4588","4590","10.1021/acs.inorgchem.5b00213","","","0.71073","MoKα","","0.0582","0.0543","","","0.121","0.1232","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342910","9.348","0.004","9.658","0.004","21.623","0.008","84.035","0.004","80.782","0.004","62.912","0.004","1714.5","1.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Er K2 O4 -","- C31 H49 Er K2 O4 -","- C62 H98 Er2 K4 O8 -","2","1","","Han, Tian; Ding, You-Song; Leng, Ji-Dong; Zheng, Zhiping; Zheng, Yan-Zhen","Polymeric Perturbation to the Magnetic Relaxations of the C2v-Symmetric [Er(Cp)2(OBu)2](-) Anion.","Inorganic chemistry","2015","54","10","4588","4590","10.1021/acs.inorgchem.5b00213","","","0.71073","MoKα","","0.0222","0.0218","","","0.0522","0.0524","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342911","16.0206","0.0011","17.7225","0.0012","27.606","0.0019","82.698","0.001","75.289","0.001","83.801","0.001","7496.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Palladium Carbonyl Phosphine Carbido Cluster","","","- C86 H161 O28 P14 Pd36 -","- C86 H161 O28 P14 Pd36 -","- C172 H322 O56 P28 Pd72 -","2","1","","Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Nanosized {Pd4(μ4-C)}Pd32(CO)28(PMe3)14 Containing Tetrahedrally Deformed Pd4 Cage with Encapsulated Carbide Atom: Formal Substitution of Geometrically Analogous Interior Au4 Entity in Isostructural Au4Pd32(CO)28(PMe3)14 by Electronically Equivalent Pd4(μ4-C) and Computational/Catalytic Implications.","Inorganic chemistry","2015","54","13","6157","6168","10.1021/acs.inorgchem.5b00208","","","0.71073","MoKα","","0.1051","0.0589","","","0.1388","0.1506","","","","","","0.912","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342912","16.0975","0.0016","17.7114","0.0017","25.768","0.003","87.771","0.002","81.185","0.001","80.053","0.001","7150.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Palladium Carbonyl Phosphine Carbido Cluster","","","- C74 H129 Cl9 O28 P14 Pd36 -","- C74 H129 Cl9 O28 P14 Pd36 -","- C148 H258 Cl18 O56 P28 Pd72 -","2","1","","Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Nanosized {Pd4(μ4-C)}Pd32(CO)28(PMe3)14 Containing Tetrahedrally Deformed Pd4 Cage with Encapsulated Carbide Atom: Formal Substitution of Geometrically Analogous Interior Au4 Entity in Isostructural Au4Pd32(CO)28(PMe3)14 by Electronically Equivalent Pd4(μ4-C) and Computational/Catalytic Implications.","Inorganic chemistry","2015","54","13","6157","6168","10.1021/acs.inorgchem.5b00208","","","0.71073","MoKα","","0.1014","0.0738","","","0.1956","0.2073","","","","","","1.329","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342913","10.1667","0.0007","28.1052","0.0019","11.6394","0.0008","90","","90.322","0.001","90","","3325.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro- bis(trimetylphosphine)palladium (II)","","- C7 H19 Cl5 P2 Pd -","- C7 H19 Cl5 P2 Pd -","- C56 H152 Cl40 P16 Pd8 -","8","2","","Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Nanosized {Pd4(μ4-C)}Pd32(CO)28(PMe3)14 Containing Tetrahedrally Deformed Pd4 Cage with Encapsulated Carbide Atom: Formal Substitution of Geometrically Analogous Interior Au4 Entity in Isostructural Au4Pd32(CO)28(PMe3)14 by Electronically Equivalent Pd4(μ4-C) and Computational/Catalytic Implications.","Inorganic chemistry","2015","54","13","6157","6168","10.1021/acs.inorgchem.5b00208","","","0.71073","MoKα","","0.0353","0.0332","","","0.0873","0.0885","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342914","9.7327","0.0003","24.9615","0.0007","13.3675","0.0004","90","","108.147","0.004","90","","3086.01","0.17","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H54 Cl6 Fe K N2 O14 P2 -","- C64 H54 Cl6 Fe K N2 O14 P2 -","- C128 H108 Cl12 Fe2 K2 N4 O28 P4 -","2","1","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0691","0.0579","","","0.1511","0.162","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342915","12.7905","0.0003","25.9152","0.0006","10.6329","0.0002","90","","92.472","0.002","90","","3521.19","0.13","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl6 Fe N2 Na2 O13 -","- C28 H25 Cl6 Fe N2 Na2 O13 -","- C112 H100 Cl24 Fe4 N8 Na8 O52 -","4","1","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0534","0.0413","","","0.0991","0.1076","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342916","22.425","0.0009","22.425","0.0009","22.425","0.0009","90","","90","","90","","11277.1","0.8","120","2","120","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C44 H60 Br6 Cr N2 Na O12 -","- C44 H59.94 Br6 Cr N2 Na O12 -","- C352 H479.52 Br48 Cr8 N16 Na8 O96 -","8","0.166667","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0783","0.0633","","","0.1606","0.1729","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342917","9.8809","0.0004","23.8659","0.0008","12.4131","0.0004","90","","104.868","0.004","90","","2829.21","0.18","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H60 Br6 Cr Na O12 P2 -","- C44 H60 Br6 Cr Na O12 P2 -","- C88 H120 Br12 Cr2 Na2 O24 P4 -","2","1","","Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J","2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.","Inorganic chemistry","2015","54","11","5410","5418","10.1021/acs.inorgchem.5b00451","","","0.71073","MoKα","","0.0366","0.0326","","","0.0732","0.0758","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342918","17.145","0.001","17.552","0.001","19.776","0.001","99.756","0.005","93.345","0.009","102.701","0.008","5693.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C190 H60 Cl6 Co2 P4 -","- C190 H52.835 Cl6 Co2 P4 -","- C380 H105.67 Cl12 Co4 P8 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Ustimenko, Kseniya A.; Nakano, Yoshiaki; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Formation of {Co(dppe)}2{μ2-η(2):η(2)-η(2):η(2)-[(C60)2]} Dimers Bonded by Single C-C Bonds and Bridging η(2)-Coordinated Cobalt Atoms.","Inorganic chemistry","2015","54","10","4597","4599","10.1021/acs.inorgchem.5b00637","","","0.81036","synchrotron","","0.0869","0.0787","","","0.1883","0.195","","","","","","1.001","","","","has coordinates,has disorder","138112","2020-10-21","18:00:00",""
"4342919","12.8073","0.0004","5.4649","0.0002","8.1408","0.0003","90","","90","","90","","569.78","0.03","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Na O6 Sc Se2 -","- Na O6 Sc Se2 -","- Na4 O24 Sc4 Se8 -","4","0.5","","Song, Seung Yoon; Ok, Kang Min","Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2015","54","10","5032","5038","10.1021/acs.inorgchem.5b00653","","x-ray","0.71073","MoKα","","0.0414","0.0259","","","0.0382","0.04","","","","","","0.901","","","","has coordinates","138113","2020-10-21","18:00:00",""
"4342920","5.5929","0.0001","5.5929","0.0001","12.2326","0.0002","90","","90","","120","","331.378","0.01","298","0.2","298","0.2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- O6 Rb Sc Se2 -","- O6 Rb Sc Se2 -","- O12 Rb2 Sc2 Se4 -","2","0.166667","","Song, Seung Yoon; Ok, Kang Min","Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2015","54","10","5032","5038","10.1021/acs.inorgchem.5b00653","","x-ray","0.71073","MoKα","","0.0278","0.0198","","","0.0351","0.0365","","","","","","0.954","","","","has coordinates","138113","2020-10-21","18:00:00",""
"4342921","17.4795","0.0003","5.6042","0.0001","6.9918","0.0001","90","","90","","90","","684.91","0.02","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs O6 Sc Se2 -","- Cs O6 Sc Se2 -","- Cs4 O24 Sc4 Se8 -","4","0.5","","Song, Seung Yoon; Ok, Kang Min","Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2015","54","10","5032","5038","10.1021/acs.inorgchem.5b00653","","x-ray","0.71073","MoKα","","0.0563","0.0297","","","0.0476","0.0527","","","","","","0.891","","","","has coordinates","138113","2020-10-21","18:00:00",""
"4342922","10.8527","0.0008","18.5104","0.0014","12.0859","0.0008","90","","91.912","0.005","90","","2426.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H64 Cr N5 P5 -","- C51 H64 Cr N5 P5 -","- C102 H128 Cr2 N10 P10 -","2","1","","Mock, Michael T.; Pierpont, Aaron W.; Egbert, Jonathan D.; O'Hagan, Molly; Chen, Shentan; Bullock, R. Morris; Dougherty, William G.; Kassel, W. Scott; Rousseau, Roger","Protonation studies of a mono-dinitrogen complex of chromium supported by a 12-membered phosphorus macrocycle containing pendant amines.","Inorganic chemistry","2015","54","10","4827","4839","10.1021/acs.inorgchem.5b00351","","","0.71073","MoKα","","0.0843","0.0515","","","0.0967","0.1094","","","","","","1.002","","","","has coordinates","138114","2020-10-21","18:00:00",""
"4342923","13.7448","0.0011","18.5471","0.0013","12.5107","0.0009","90","","90","","90","","3189.3","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H43 Br2 Fe N2 P -","- C31 H43 Br2 Fe N2 P -","- C124 H172 Br8 Fe4 N8 P4 -","4","1","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.0314","0.027","","","0.0576","0.0587","","","","","","1.057","","","","has coordinates","138115","2020-10-21","18:00:00",""
"4342924","37.294","0.005","8.036","0.001","21.344","0.003","90","","118.485","0.005","90","","5622.3","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H86 Fe2 N4 O4 P2 -","- C59 H86 Fe2 N4 O4 P2 -","- C236 H344 Fe8 N16 O16 P8 -","4","0.5","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.079","0.0407","","","0.0798","0.096","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342925","21.743","0.004","8.7736","0.0012","18.932","0.003","90","","114.366","0.007","90","","3289.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 B F4 Fe N2 O2.5 P -","- C29 H41 B F4 Fe N2 O2.5 P -","- C116 H164 B4 F16 Fe4 N8 O10 P4 -","4","1","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.0976","0.0598","","","0.1586","0.1835","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342926","9.978","0.003","11.119","0.003","25.131","0.005","90","","92.591","0.011","90","","2785.3","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B F5 Fe N2 O2 P -","- C27 H37 B F5 Fe N2 O2 P -","- C108 H148 B4 F20 Fe4 N8 O8 P4 -","4","1","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.1216","0.0571","","","0.1063","0.1278","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342927","8.1946","0.0016","13.743","0.003","14.154","0.003","70.01","0.03","74.91","0.03","77.01","0.03","1430","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H38 B F4 Fe N2 O2 P -","- C27 H38 B F4 Fe N2 O2 P -","- C54 H76 B2 F8 Fe2 N4 O4 P2 -","2","1","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.0304","0.0287","","","0.073","0.0742","","","","","","1.017","","","","has coordinates","138115","2020-10-21","18:00:00",""
"4342928","25.7087","0.0014","9.9124","0.0005","21.3648","0.0011","90","","112.081","0.002","90","","5045.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Fe N3 O2 -","- C29 H31 Fe N3 O2 -","- C232 H248 Fe8 N24 O16 -","8","2","","Butschke, Burkhard; Fillman, Kathlyn L.; Bendikov, Tatyana; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Gorelsky, Serge I.; Neidig, Michael L.; Milstein, David","How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study.","Inorganic chemistry","2015","54","10","4909","4926","10.1021/acs.inorgchem.5b00509","","","0.71073","MoKα","","0.0569","0.0434","","","0.0999","0.1051","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342929","22.74948","0.0001","5.69246","0.00003","17.63155","0.00006","90","","90","","90","","2283.29","0.017","293","","298","","","","","","","","","5","B m a b","-B 2ab 2","64","","","?Ce2O2Zn0.25Fe0.75Se2?","- Ce2 Fe0.75 O2 Se2 Zn0.25 -","- Ce2 Fe0.75 O2 Se2 Zn0.25 -","- Ce32 Fe12 O32 Se32 Zn4 -","16","","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342930","28.68428","0.00014","5.73465","0.00003","18.27312","0.00005","90","","90","","90","","3005.82","0.02","293","","298","","","","","","","","","5","I m c b","-I 2a 2","72","","","?La2O2Zn0.1Mn0.9Se2?","- La2 Mn0.9 O2 Se2 Zn0.1 -","- La2 Mn0.9 O2 Se2 Zn0.1 -","- La40 Mn18 O40 Se40 Zn2 -","20","1.25","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342931","28.3945","0.0008","5.67917","0.00018","17.70433","0.00012","90","","90","","90","","2854.95","0.12","293","","298","","","","","","","","","5","I m c b","-I 2a 2","72","","","?Ce2O2Zn0.8125Fe0.1875Se2?","- Ce2 Fe0.1875 O2 Se2 Zn0.8125 -","- Ce2 Fe0.125 O2 Se2 Zn0.875 -","- Ce40 Fe2.5 O40 Se40 Zn17.5 -","20","1.25","","Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.","Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.","Inorganic chemistry","2015","54","15","7230","7238","10.1021/acs.inorgchem.5b00599","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4342932","12.9255","0.0009","21.1386","0.0011","8.4194","0.0006","90","","101.739","0.005","90","","2252.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Ba6 S12 Sb -","- B3 Ba6 S12 Sb -","- B12 Ba24 S48 Sb4 -","4","1","","Li, Yan-Yan; Li, Bing-Xuan; Zhang, Ge; Zhou, Liu-Jiang; Lin, Hua; Shen, Jin-Ni; Zhang, Cheng-Yi; Chen, Ling; Wu, Li-Ming","Syntheses, Characterization, and Optical Properties of Centrosymmetric Ba3(BS3)1.5(MS3)0.5 and Noncentrosymmetric Ba3(BQ3)(SbQ3).","Inorganic chemistry","2015","54","10","4761","4767","10.1021/acs.inorgchem.5b00189","","","0.71073","MoKα","","0.0297","0.0249","","","0.0448","0.0469","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342933","12.9458","0.0013","21.1697","0.0014","8.4207","0.0008","90","","101.688","0.007","90","","2259.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Ba6 Bi S12 -","- B3 Ba6 Bi S12 -","- B12 Ba24 Bi4 S48 -","4","1","","Li, Yan-Yan; Li, Bing-Xuan; Zhang, Ge; Zhou, Liu-Jiang; Lin, Hua; Shen, Jin-Ni; Zhang, Cheng-Yi; Chen, Ling; Wu, Li-Ming","Syntheses, Characterization, and Optical Properties of Centrosymmetric Ba3(BS3)1.5(MS3)0.5 and Noncentrosymmetric Ba3(BQ3)(SbQ3).","Inorganic chemistry","2015","54","10","4761","4767","10.1021/acs.inorgchem.5b00189","","","0.71073","MoKα","","0.0278","0.0263","","","0.051","0.0516","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342934","17.056","0.0009","17.056","0.0009","10.904","0.0009","90","","90","","120","","2747.1","0.3","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- B Ba3 S6 Sb -","- B Ba3 S6 Sb1.00003 -","- B9 Ba27 S54 Sb9.0003 -","9","0.75","","Li, Yan-Yan; Li, Bing-Xuan; Zhang, Ge; Zhou, Liu-Jiang; Lin, Hua; Shen, Jin-Ni; Zhang, Cheng-Yi; Chen, Ling; Wu, Li-Ming","Syntheses, Characterization, and Optical Properties of Centrosymmetric Ba3(BS3)1.5(MS3)0.5 and Noncentrosymmetric Ba3(BQ3)(SbQ3).","Inorganic chemistry","2015","54","10","4761","4767","10.1021/acs.inorgchem.5b00189","","","0.71073","MoKα","","0.0328","0.0317","","","0.0656","0.0686","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342935","17.72","0.004","17.72","0.004","11.251","0.003","90","","90","","120","","3059.5","1.3","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- B Ba3 Sb Se6 -","- B Ba3 Sb1.00003 Se6 -","- B9 Ba27 Sb9.0003 Se54 -","9","0.75","","Li, Yan-Yan; Li, Bing-Xuan; Zhang, Ge; Zhou, Liu-Jiang; Lin, Hua; Shen, Jin-Ni; Zhang, Cheng-Yi; Chen, Ling; Wu, Li-Ming","Syntheses, Characterization, and Optical Properties of Centrosymmetric Ba3(BS3)1.5(MS3)0.5 and Noncentrosymmetric Ba3(BQ3)(SbQ3).","Inorganic chemistry","2015","54","10","4761","4767","10.1021/acs.inorgchem.5b00189","","","0.71073","MoKα","","0.0253","0.0249","","","0.0567","0.0569","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342936","12.061","","12.061","","30.83","","90","","90","","90","","4484.77","","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 Cl4 N4 O16 P4 Zn4 -","- C80 H108 Cl4 N4 O16 P4 Zn4 -","- C160 H216 Cl8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71073","MoKα","","0.0415","0.0364","","","0.0998","0.1147","","","","","","1.074","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342937","12.102","0.004","12.102","0.005","31.228","0.012","90","0.014","90","0.013","90","0.003","4574","3","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 Br4 N4 O16 P4 Zn4 -","- C80 H108 Br4 N4 O16 P4 Zn4 -","- C160 H216 Br8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0578","0.0569","","","0.1561","0.1581","","","","","","0.961","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342938","12.123","0.002","12.123","0.002","31.467","0.007","90","","90","","90","","4624.6","1.5","150","2","150","2","","","","","","","","7","I -4","I -4","82","","","","- C80 H108 I4 N4 O16 P4 Zn4 -","- C80 H108 I4 N4 O16 P4 Zn4 -","- C160 H216 I8 N8 O32 P8 Zn8 -","2","0.25","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0423","0.0407","","","0.1156","0.117","","","","","","1.073","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342939","10.1879","0.0012","15.5775","0.0016","29.698","0.004","78.052","0.007","80.542","0.007","66.159","0.006","4200.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H95 Cl4 N8 O18 P4 Zn4 -","- C70 H95 Cl4 N8 O18 P4 Zn4 -","- C140 H190 Cl8 N16 O36 P8 Zn8 -","2","1","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.1024","0.099","","","0.3299","0.3342","","","","","","1.469","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342940","21.4282","0.0007","20.1985","0.0007","10.1981","0.0003","90","","90","","90","","4413.9","0.2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C70 H96 Br4 N8 O18 P4 Zn4 -","- C70 H96 Br4 N8 O18 P4 Zn4 -","- C140 H192 Br8 N16 O36 P8 Zn8 -","2","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71073","MoKα","","0.0498","0.0336","","","0.0699","0.0714","","","","","","0.868","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342941","31.442","0.008","10.244","0.002","28.059","0.007","90","","103.138","0.003","90","","8801","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H96 I4 N8 O18 P4 Zn4 -","- C70 H96 I4 N8 O18 P4 Zn4 -","- C280 H384 I16 N32 O72 P16 Zn16 -","4","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0577","0.0555","","","0.1516","0.1534","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342942","9.966","0.004","22.8187","0.001","17.504","0.007","90","","98.616","0.007","90","","3936","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Cl2 N2 O10 P2 Zn2 -","- C31 H42 Cl2 N2 O10 P2 Zn2 -","- C124 H168 Cl8 N8 O40 P8 Zn8 -","4","1","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0917","0.0808","","","0.1319","0.1362","","","","","","1.218","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342943","10.009","0.004","23.2864","0.001","17.488","0.008","90","","97.9","0.007","90","","4037","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 Br2 N2 O10 P2 Zn2 -","- C31 H42 Br2 N2 O10 P2 Zn2 -","- C124 H168 Br8 N8 O40 P8 Zn8 -","4","1","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.1013","0.0907","","","0.1662","0.1723","","","","","","1.208","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342944","30.291","0.004","34.922","0.004","14.9814","0.0017","90","","90","","90","","15848","3","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C62 H88 Cl4 N8 O18 P4 Zn4 -","- C62 H88 Cl4 N8 O18 P4 Zn4 -","- C496 H704 Cl32 N64 O144 P32 Zn32 -","8","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.026","0.0252","","","0.0666","0.0727","","","","","","1.115","","","","has coordinates,has disorder","138117","2020-10-21","18:00:00",""
"4342945","9.435","0.007","11.301","0.009","14.134","0.011","75.87","0.04","76.14","0.04","73.98","0.04","1380.5","1.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H64 Cl2 N4 O14 P2 Zn2 -","- C50 H64 Cl2 N4 O14 P2 Zn2 -","- C50 H64 Cl2 N4 O14 P2 Zn2 -","1","0.5","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.1193","0.0954","","","0.2137","0.2416","","","","","","1.151","","","","has coordinates","138117","2020-10-21","18:00:00",""
"4342946","14.445","0.006","5.2832","0.0019","15.69","0.006","90","","105.49","0.008","90","","1153.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O5 P Zn -","- C9 H13 O5 P Zn -","- C36 H52 O20 P4 Zn4 -","4","1","","Dar, Aijaz A.; Sharma, Sunil K.; Murugavel, Ramaswamy","Is single-4-ring the most basic but elusive secondary building unit that transforms to larger structures in zinc phosphate chemistry?","Inorganic chemistry","2015","54","10","4882","4894","10.1021/acs.inorgchem.5b00495","","","0.71075","MoKα","","0.0556","0.0551","","","0.1414","0.1429","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342947","14.48414","0.00014","12.64471","0.00011","15.76167","0.00015","90","","92.8914","0.0009","90","","2883.04","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl2 N7 O5 Ru -","- C28 H21 Cl2 N7 O5 Ru -","- C112 H84 Cl8 N28 O20 Ru4 -","4","1","","Hazari, Arijit Singha; Das, Ankita; Ray, Ritwika; Agarwala, Hemlata; Maji, Somnath; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Tunable Electrochemical and Catalytic Features of BIAN- and BIAO-Derived Ruthenium Complexes.","Inorganic chemistry","2015","54","10","4998","5012","10.1021/acs.inorgchem.5b00615","","","1.54184","CuKα","","0.0376","0.0357","","","0.1031","0.1058","","","","","","1.057","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4342948","11.65","0.002","14.944","0.003","16.267","0.003","71.09","0.03","69.9","0.03","72.02","0.03","2453.2","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 F12 N8 O4 P2 Ru -","- C39 H38 F12 N8 O4 P2 Ru -","- C78 H76 F24 N16 O8 P4 Ru2 -","2","1","","Hazari, Arijit Singha; Das, Ankita; Ray, Ritwika; Agarwala, Hemlata; Maji, Somnath; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Tunable Electrochemical and Catalytic Features of BIAN- and BIAO-Derived Ruthenium Complexes.","Inorganic chemistry","2015","54","10","4998","5012","10.1021/acs.inorgchem.5b00615","","","0.71073","MoKα","","0.0864","0.0584","","","0.1396","0.1508","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342949","11.7233","0.0003","17.25","0.0004","20.1702","0.0005","90","","94.826","0.001","90","","4064.5","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl6 N8 O6 Ru -","- C38 H34 Cl6 N8 O6 Ru -","- C152 H136 Cl24 N32 O24 Ru4 -","4","1","","Hazari, Arijit Singha; Das, Ankita; Ray, Ritwika; Agarwala, Hemlata; Maji, Somnath; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Tunable Electrochemical and Catalytic Features of BIAN- and BIAO-Derived Ruthenium Complexes.","Inorganic chemistry","2015","54","10","4998","5012","10.1021/acs.inorgchem.5b00615","","","0.71073","MoKα","","0.0776","0.052","","","0.1223","0.1368","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342950","14.331","","13.839","","15.678","","90","","90.68","","90","","3109.15","","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu N6 O15 -","- C57 H60 Cl3 Eu N6 O15 -","- C114 H120 Cl6 Eu2 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0556","0.0544","","","0.1462","0.1472","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342951","14.3313","0.0002","13.8416","0.0002","15.6365","0.0003","90","","90.728","0.002","90","","3101.53","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 N6 O15 Tb -","- C57 H60 Cl3 N6 O15 Tb -","- C114 H120 Cl6 N12 O30 Tb2 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","0.71073","MoKα","","0.0545","0.0469","","","0.1173","0.1231","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342952","14.3406","0.0002","13.8448","0.0002","15.6676","0.0002","90","","90.702","0.001","90","","3110.45","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Gd N6 O15 -","- C57 H60 Cl3 Gd N6 O15 -","- C114 H120 Cl6 Gd2 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0408","0.0402","","","0.1199","0.1211","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342953","14.45","","13.869","","15.721","","90","","90.84","","90","","3150.26","","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu0.44 N6 O15 Tb0.56 -","- C57 H62 Cl3 Eu0.56 N6 O15 Tb0.44 -","- C114 H124 Cl6 Eu1.12 N12 O30 Tb0.88 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0497","0.0447","","","0.1212","0.1281","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342954","14.3391","0.0002","13.8394","0.0002","15.6773","0.0002","90","","90.727","0.001","90","","3110.82","0.07","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Eu0.49 Gd0.51 N6 O15 -","- C57 H60 Cl3 Eu0.49 Gd0.51 N6 O15 -","- C114 H120 Cl6 Eu0.98 Gd1.02 N12 O30 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0463","0.0455","","","0.1213","0.1223","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342955","14.3452","0.0001","13.8467","0.0001","15.6606","0.0001","90","","90.721","0.001","90","","3110.48","0.04","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H76 Cl3 Gd0.57 N6 O15 Tb0.43 -","- C57 H60 Cl3 Gd0.57 N6 O15 Tb0.43 -","- C114 H120 Cl6 Gd1.14 N12 O30 Tb0.86 -","2","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0407","0.0403","","","0.1102","0.1107","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342956","12.2234","0.0011","14.633","0.0012","13.0904","0.0011","90","","92.075","0.008","90","","2339.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O5 -","- C27 H27 N3 O5 -","- C108 H108 N12 O20 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong","Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.","Inorganic chemistry","2015","54","12","5707","5716","10.1021/acs.inorgchem.5b00271","","","1.54178","CuKα","","0.0801","0.0519","","","0.131","0.1393","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342957","20.3963","0.0009","15.0332","0.0006","23.273","0.001","90","","113.567","0.002","90","","6540.8","0.5","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 F12 Fe N12 P2 -","- C24 H28 F12 Fe N12 P2 -","- C192 H224 F96 Fe8 N96 P16 -","8","1","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis and Characterization of an Iron Complex Bearing a Cyclic Tetra-N-heterocyclic Carbene Ligand: An Artifical Heme Analogue?","Inorganic chemistry","2015","","","150406075245005","","10.1021/ic503043h","","x-ray","0.71073","MoKα","","0.0546","0.0453","","","0.1125","0.1177","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342958","11.7373","0.0003","12.8339","0.0003","13.1353","0.0003","90","","107.631","0.001","90","","1885.7","0.08","123","","123","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 F12 Fe N8 O4 P2 S4 -","- C24 H40 F12 Fe N8 O4 P2 S4 -","- C48 H80 F24 Fe2 N16 O8 P4 S8 -","2","0.5","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis and Characterization of an Iron Complex Bearing a Cyclic Tetra-N-heterocyclic Carbene Ligand: An Artifical Heme Analogue?","Inorganic chemistry","2015","","","150406075245005","","10.1021/ic503043h","","x-ray","0.71073","MoKα","","0.0288","0.024","","","0.0583","0.0606","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342959","28.0667","0.0013","11.6425","0.0005","17.098","0.0007","90","","117.051","0.002","90","","4975.8","0.4","123","","123","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F12 Fe N8 O2 P2 -","- C18 H16 F12 Fe N8 O2 P2 -","- C144 H128 F96 Fe8 N64 O16 P16 -","8","1","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis and Characterization of an Iron Complex Bearing a Cyclic Tetra-N-heterocyclic Carbene Ligand: An Artifical Heme Analogue?","Inorganic chemistry","2015","","","150406075245005","","10.1021/ic503043h","","x-ray","0.71073","MoKα","","0.0697","0.0416","","","0.0849","0.0956","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342960","8.326","0.0002","22.108","0.0005","14.6258","0.0003","90","","98.08","0.001","90","","2665.46","0.1","123","","123","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 F12 Fe N10 O P2 -","- C18 H19 F12 Fe N10 O P2 -","- C72 H76 F48 Fe4 N40 O4 P8 -","4","1","","Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis and Characterization of an Iron Complex Bearing a Cyclic Tetra-N-heterocyclic Carbene Ligand: An Artifical Heme Analogue?","Inorganic chemistry","2015","","","150406075245005","","10.1021/ic503043h","","x-ray","0.71073","MoKα","","0.0591","0.0417","","","0.0962","0.104","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342961","12","0.002","5.6347","0.0011","23.631","0.005","90","","90.07","0.03","90","","1597.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl hexaselenium diimide-octaselenium(2/1)","","- C2 H6 N2 Se10 -","- C2 H6 N2 Se10 -","- C8 H24 N8 Se40 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.","Inorganic chemistry","2015","54","10","4990","4997","10.1021/acs.inorgchem.5b00582","","","0.71073","MoKα","","0.1969","0.1207","","","0.2737","0.3149","","","","","","1.083","","","","has coordinates,has disorder","138119","2020-10-21","18:00:00",""
"4342962","6.372","0.005","12.724","0.005","14.478","0.005","90","","93.131","0.005","90","","1172.1","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl tetraselenium tetraimide","","- C4 H12 N4 Se4 -","- C4 H12 N4 Se4 -","- C16 H48 N16 Se16 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.","Inorganic chemistry","2015","54","10","4990","4997","10.1021/acs.inorgchem.5b00582","","","0.71073","MoKα","","0.0799","0.0676","","","0.1765","0.1886","","","","","","1.091","","","","has coordinates","138119","2020-10-21","18:00:00",""
"4342963","9.4692","0.0007","10.7391","0.0007","12.8212","0.0011","98.363","0.007","106.609","0.007","95.16","0.006","1224.16","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cu2 N10 O12 -","- C44 H58 Cu2 N10 O12 -","- C44 H58 Cu2 N10 O12 -","1","0.5","","Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab","Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.","Inorganic chemistry","2015","54","10","4799","4805","10.1021/acs.inorgchem.5b00242","","","0.71073","MoKα","","0.0602","0.0471","","","0.0939","0.1018","","","","","","1.241","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342964","10.116","0.002","15.428","0.003","18.573","0.004","90","","94.603","0.006","90","","2889.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cu N2 O5 -","- C28 H42 Cu N2 O5 -","- C112 H168 Cu4 N8 O20 -","4","1","","Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab","Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.","Inorganic chemistry","2015","54","10","4799","4805","10.1021/acs.inorgchem.5b00242","","","0.71073","MoKα","","0.1097","0.0502","","","0.086","0.0963","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342965","8.1018","0.0006","10.666","0.0007","25.284","0.0016","90","","90","","90","","2184.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cu N4 O5 -","- C20 H26 Cu N4 O5 -","- C80 H104 Cu4 N16 O20 -","4","1","","Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab","Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.","Inorganic chemistry","2015","54","10","4799","4805","10.1021/acs.inorgchem.5b00242","","","0.71073","MoKα","","0.0434","0.0362","","","0.0739","0.0755","","","","","","1.073","","","","has coordinates","138120","2020-10-21","18:00:00",""
"4342966","6.873","0.001","11.7717","0.0017","13.374","0.002","90","","99.673","0.005","90","","1066.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs2.02 Mn3 O22 U6 -","- Cs2.014 Mn3 O22 U6 -","- Cs4.028 Mn6 O44 U12 -","2","0.25","","Read, Cory M.; Gordon, Elijah E.; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Whangbo, Myung-Hwan; Zur Loye, Hans-Conrad","Synthesis of the Layered Quaternary Uranium-Containing Oxide Cs2Mn3U6O22 and Characterization of its Magnetic Properties.","Inorganic chemistry","2015","54","11","5495","5503","10.1021/acs.inorgchem.5b00552","","","0.71073","MoKα","","0.0476","0.038","","","0.0862","0.0899","","","","","","1.098","","","","has coordinates","138154","2020-10-21","18:00:00",""
"4342967","10.9296","0.0002","18.235","0.0004","11.1086","0.0003","90","","106.658","0.001","90","","2121.04","0.08","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Mo S8 -","- C18 H16 Mo S8 -","- C72 H64 Mo4 S32 -","4","1","","Bellec, Nathalie; Vacher, Antoine; Barrière, Frédéric; Xu, Zijun; Roisnel, Thierry; Lorcy, Dominique","Interplay between Organic-Organometallic Electrophores within Bis(cyclopentadienyl)Molybdenum Dithiolene Tetrathiafulvalene Complexes.","Inorganic chemistry","2015","54","10","5013","5020","10.1021/acs.inorgchem.5b00632","","x-ray","0.71073","MoKα","","0.0617","0.0459","","","0.1031","0.1093","","","","","","1.225","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342968","7.5957","0.0005","13.3631","0.001","14.3454","0.0011","68.822","0.002","75.656","0.002","87.366","0.002","1313.89","0.17","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H16 I3 Mo S8 -","- C18 H16 I3 Mo S8 -","- C36 H32 I6 Mo2 S16 -","2","1","","Bellec, Nathalie; Vacher, Antoine; Barrière, Frédéric; Xu, Zijun; Roisnel, Thierry; Lorcy, Dominique","Interplay between Organic-Organometallic Electrophores within Bis(cyclopentadienyl)Molybdenum Dithiolene Tetrathiafulvalene Complexes.","Inorganic chemistry","2015","54","10","5013","5020","10.1021/acs.inorgchem.5b00632","","x-ray","0.71073","MoKα","","0.059","0.038","","","0.0824","0.0936","","","","","","0.985","","","","has coordinates","138122","2020-10-21","18:00:00",""
"4342969","7.6337","0.0003","12.0575","0.0005","23.2394","0.0008","90","","93.266","0.002","90","","2135.56","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 S8 Ti -","- C18 H16 S8 Ti -","- C72 H64 S32 Ti4 -","4","1","","Bellec, Nathalie; Vacher, Antoine; Barrière, Frédéric; Xu, Zijun; Roisnel, Thierry; Lorcy, Dominique","Interplay between Organic-Organometallic Electrophores within Bis(cyclopentadienyl)Molybdenum Dithiolene Tetrathiafulvalene Complexes.","Inorganic chemistry","2015","54","10","5013","5020","10.1021/acs.inorgchem.5b00632","","x-ray","0.71073","MoKα","","0.0434","0.0359","","","0.0831","0.087","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342970","13.446","0.001","8.155","0.001","15.915","0.001","90","","112.728","0.004","90","","1609.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 N6 O12 -","- C26 H50 N6 O12 -","- C52 H100 N12 O24 -","2","0.5","","Regueiro-Figueroa, Martín; Barriada, José Luis; Pallier, Agnès; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Tóth, Éva; Platas-Iglesias, Carlos","Stabilizing divalent europium in aqueous solution using size-discrimination and electrostatic effects.","Inorganic chemistry","2015","54","10","4940","4952","10.1021/acs.inorgchem.5b00548","","x-ray","0.71073","MoKα","","0.057","0.0386","","","0.0847","0.0923","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342971","22.0177","0.0012","16.299","0.0008","10.5443","0.0005","90","","97.551","0.002","90","","3751.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26.56 H42 F10.32 La N5 O11.68 P1.44 S0.56 -","- C26.559 H42 F10.323 La N5 O11.677 P1.441 S0.559 -","- C106.236 H168 F41.292 La4 N20 O46.708 P5.764 S2.236 -","4","1","","Regueiro-Figueroa, Martín; Barriada, José Luis; Pallier, Agnès; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Tóth, Éva; Platas-Iglesias, Carlos","Stabilizing divalent europium in aqueous solution using size-discrimination and electrostatic effects.","Inorganic chemistry","2015","54","10","4940","4952","10.1021/acs.inorgchem.5b00548","","x-ray","0.71073","MoKα","","0.0599","0.0345","","","0.0564","0.0626","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342972","11.6607","0.0003","14.501","0.0004","21.2628","0.0005","90","","99.411","0.001","90","","3546.97","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 N6 O16 Sr -","- C26 H42 Cl2 N6 O16 Sr -","- C104 H168 Cl8 N24 O64 Sr4 -","4","2","","Regueiro-Figueroa, Martín; Barriada, José Luis; Pallier, Agnès; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Tóth, Éva; Platas-Iglesias, Carlos","Stabilizing divalent europium in aqueous solution using size-discrimination and electrostatic effects.","Inorganic chemistry","2015","54","10","4940","4952","10.1021/acs.inorgchem.5b00548","","x-ray","0.71073","MoKα","","0.0952","0.0567","","","0.1022","0.1144","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342973","22.1554","0.0005","17.0293","0.0004","17.3067","0.0003","90","","90","","90","","6529.7","0.2","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H44 Cl3 Ir3 O2 -","- C29 H44 Cl3 Ir3 O2 -","- C232 H352 Cl24 Ir24 O16 -","8","1","","Riener, Korbinian; Zimmermann, Teresa K.; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Direct Synthesis and Bonding Properties of the First μ(2)-η(2),η(2)-Allyl-Bridged Diiridium Complex.","Inorganic chemistry","2015","","","150507080818000","","10.1021/acs.inorgchem.5b00671","","x-ray","0.71073","MoKα","","0.0362","0.024","","","0.0495","0.0539","","","","","","1.028","","","","has coordinates","136757","2020-10-21","18:00:00",""
"4342974","8.5927","0.0015","10.561","0.002","30.457","0.006","90","","90","","90","","2763.9","0.9","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl9 Cu N7 O2 Re2 -","- C13 H13 Cl9 Cu N7 O2 Re2 -","- C52 H52 Cl36 Cu4 N28 O8 Re8 -","4","1","","Martínez-Lillo, José; Armentano, Donatella; Fortea-Pérez, Francisco R; Stiriba, Salah-Eddine; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","A Chiral, Photoluminescent, and Spin-Canted {Cu(I)Re(IV)2}n Branched Chain.","Inorganic chemistry","2015","54","10","4594","4596","10.1021/acs.inorgchem.5b00502","","","0.71073","MoKα","","0.1086","0.0984","","","0.2343","0.2408","","","","","","1.074","","","","has coordinates","138124","2020-10-21","18:00:00",""
"4342975","9.1011","0.0018","9.9158","0.0018","15.331","0.003","97.466","0.004","104.705","0.005","107.848","0.005","1241","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N4 Ti -","- C30 H31 N4 Ti -","- C60 H62 N8 Ti2 -","2","1","","Wolff, Carina; Gottschlich, Andreas; England, Jason; Wieghardt, Karl; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Molecular and Electronic Structures of Mononuclear and Dinuclear Titanium Complexes Containing π-Radical Anions of 2,2'-Bipyridine and 1,10-Phenanthroline: An Experimental and DFT Computational Study.","Inorganic chemistry","2015","54","10","4811","4820","10.1021/acs.inorgchem.5b00285","","","0.71073","MoKα","","0.0798","0.0445","","","0.0929","0.1059","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342976","31.7878","0.0013","44.898","0.003","12.0946","0.0006","90","","90","","90","","17261.5","1.6","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C46 H60 Cl2 N4 Ti2 -","- C46 H60 Cl2 N4 Ti2 -","- C736 H960 Cl32 N64 Ti32 -","16","1","","Wolff, Carina; Gottschlich, Andreas; England, Jason; Wieghardt, Karl; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Molecular and Electronic Structures of Mononuclear and Dinuclear Titanium Complexes Containing π-Radical Anions of 2,2'-Bipyridine and 1,10-Phenanthroline: An Experimental and DFT Computational Study.","Inorganic chemistry","2015","54","10","4811","4820","10.1021/acs.inorgchem.5b00285","","","0.71073","MoKα","","0.0399","0.0295","","","0.0615","0.0631","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342977","11.5694","0.0009","11.7946","0.0008","16.6783","0.0013","100.756","0.009","106.971","0.008","97.313","0.009","2098.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cl2 N4 O Ti2 -","- C48 H54 Cl2 N4 O Ti2 -","- C96 H108 Cl4 N8 O2 Ti4 -","2","1","","Wolff, Carina; Gottschlich, Andreas; England, Jason; Wieghardt, Karl; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger","Molecular and Electronic Structures of Mononuclear and Dinuclear Titanium Complexes Containing π-Radical Anions of 2,2'-Bipyridine and 1,10-Phenanthroline: An Experimental and DFT Computational Study.","Inorganic chemistry","2015","54","10","4811","4820","10.1021/acs.inorgchem.5b00285","","","0.71073","MoKα","","0.0917","0.0349","","","0.0601","0.0669","","","","","","0.681","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342978","10.3993","0.0009","19.7004","0.0017","17.6626","0.0016","90","","106.504","0.001","90","","3469.5","0.5","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Fe N4 -","- C36 H54 Fe N4 -","- C144 H216 Fe4 N16 -","4","1","","Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang","Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.","Inorganic chemistry","2015","54","10","4752","4760","10.1021/acs.inorgchem.5b00138","","","0.71073","MoKα","","0.0675","0.0465","","","0.1265","0.1399","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342979","26.218","0.003","10.0288","0.0011","33.542","0.004","90","","111.294","0.002","90","","8217.3","1.6","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H66 Fe N4 -","- C42 H66 Fe N4 -","- C336 H528 Fe8 N32 -","8","1","","Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang","Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.","Inorganic chemistry","2015","54","10","4752","4760","10.1021/acs.inorgchem.5b00138","","","0.71073","MoKα","","0.1135","0.0694","","","0.1644","0.187","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342980","13.5482","0.0016","20.988","0.002","14.3349","0.0016","90","","90.475","0.002","90","","4076","0.8","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 F12 Fe N4 -","- C38 H46 F12 Fe N4 -","- C152 H184 F48 Fe4 N16 -","4","1","","Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang","Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.","Inorganic chemistry","2015","54","10","4752","4760","10.1021/acs.inorgchem.5b00138","","","0.71073","MoKα","","0.0704","0.0491","","","0.1401","0.1622","","","","","","1.017","","","","has coordinates,has disorder","138126","2020-10-21","18:00:00",""
"4342981","18.323","0.003","16.883","0.003","15.291","0.002","90","","90","","90","","4730.2","1.3","140","2","140","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C46 H62 F12 Fe N4 O4 -","- C46 H62 F12 Fe N4 O4 -","- C184 H248 F48 Fe4 N16 O16 -","4","","","Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang","Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.","Inorganic chemistry","2015","54","10","4752","4760","10.1021/acs.inorgchem.5b00138","","","0.71073","MoKα","","0.076","0.0599","","","0.1728","0.1959","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342982","14.766","0.004","9.834","0.003","18.608","0.005","90","","112.511","0.005","90","","2496.2","1.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","selenium dicyanide 18-crown-6 adduct","","- C20 H36 N2 O9 Se -","- C20 H36 N2 O9 Se -","- C80 H144 N8 O36 Se4 -","4","1","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.054","0.0445","","","0.1142","0.1211","","","","","","1.038","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342983","16.404","0.003","12.071","0.002","19.75","0.005","90","","90","","90","","3910.8","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","selenium dicyanide difluoride 12-crown-4-solvate","","- C17 H24 F2 N2 O4 Se -","- C17 H24 F2 N2 O4 Se -","- C136 H192 F16 N16 O32 Se8 -","8","1","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.0577","0.0356","","","0.0831","0.0952","","","","","","1.013","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342984","8.4405","0.0011","17.999","0.002","12.5274","0.0017","90","","94.513","0.003","90","","1897.3","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","selenium dicyanide difluoride 18-crown-6-solvate","","- C14 H24 F2 N2 O6 Se -","- C14 H24 F2 N2 O6 Se -","- C56 H96 F8 N8 O24 Se4 -","4","1","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.0302","0.0225","","","0.0527","0.0562","","","","","","1.042","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342985","7.643","0.006","7.651","0.006","11.962","0.009","84.701","0.016","89.908","0.017","63.773","0.018","624.2","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","selenium dicyanide difluoride diglyme-solvate","","- C8 H14 F2 N2 O3 Se -","- C8 H14 F2 N2 O3 Se -","- C16 H28 F4 N4 O6 Se2 -","2","1","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.039","0.036","","","0.0909","0.093","","","","","","1.073","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342986","12.652","0.003","7.3448","0.0018","12.726","0.003","90","","97.547","0.004","90","","1172.3","0.5","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","selenium dicyanide difluoride propionitrile-solvate","","- C8 H10 F2 N4 Se -","- C8 H10 F2 N4 Se -","- C32 H40 F8 N16 Se4 -","4","0.5","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.0202","0.0175","","","0.0438","0.045","","","","","","1.074","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342987","13.717","0.018","20.45","0.04","4.804","0.005","90","","90","","90","","1348","3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","selenium dicyanide difluoride tetrahydrofurane-solvate","","- C10 H16 F2 N2 O2 Se -","- C10 H16 F2 N2 O2 Se -","- C40 H64 F8 N8 O8 Se4 -","4","0.5","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.1225","0.0849","","","0.1965","0.2164","","","","","","0.954","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4342988","12.698","0.003","14.273","0.004","17.008","0.004","90","","90","","90","","3082.5","1.3","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C23 H31 Cl Cu2 N10 -","- C23 H31 Cl Cu2 N10 -","- C92 H124 Cl4 Cu8 N40 -","4","0.5","","Xu, Zhenghu; Han, Lu Lu; Zhuang, Gui Lin; Bai, Jing; Sun, Di","In situ construction of three anion-dependent cu(i) coordination networks as promising heterogeneous catalysts for azide-alkyne ""click"" reactions.","Inorganic chemistry","2015","54","10","4737","4743","10.1021/acs.inorgchem.5b00110","","","0.71073","MoKα","","0.1308","0.0758","","","0.2085","0.2572","","","","","","0.981","","","","has coordinates","138127","2020-10-21","18:00:00",""
"4342989","19.003","0.005","19.003","","16.916","0.005","90","","90","","120","","5290","2","200","2","200","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C73 H99 Br Cu6 N32 -","- C73 H98.94 Br Cu6 N32 -","- C146 H197.88 Br2 Cu12 N64 -","2","0.166667","","Xu, Zhenghu; Han, Lu Lu; Zhuang, Gui Lin; Bai, Jing; Sun, Di","In situ construction of three anion-dependent cu(i) coordination networks as promising heterogeneous catalysts for azide-alkyne ""click"" reactions.","Inorganic chemistry","2015","54","10","4737","4743","10.1021/acs.inorgchem.5b00110","","","0.71073","MoKα","","0.1156","0.0634","","","0.1565","0.1756","","","","","","0.983","","","","has coordinates","138127","2020-10-21","18:00:00",""
"4342990","11.406","0.005","14.981","0.007","16.867","0.008","90","","90","","90","","2882","2","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C23 H31 Cu2 I N10 -","- C23 H31 Cu2 I N10 -","- C92 H124 Cu8 I4 N40 -","4","0.5","","Xu, Zhenghu; Han, Lu Lu; Zhuang, Gui Lin; Bai, Jing; Sun, Di","In situ construction of three anion-dependent cu(i) coordination networks as promising heterogeneous catalysts for azide-alkyne ""click"" reactions.","Inorganic chemistry","2015","54","10","4737","4743","10.1021/acs.inorgchem.5b00110","","","0.71073","MoKα","","0.0474","0.0332","","","0.0819","0.0895","","","","","","1.05","","","","has coordinates,has disorder","138127","2020-10-21","18:00:00",""
"4342991","9.3283","0.0002","10.2295","0.0002","10.6795","0.0002","87.953","0.001","71.817","0.001","67.753","0.001","892.17","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O2 S2 -","- C19 H23 N O2 S2 -","- C38 H46 N2 O4 S4 -","2","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0341","0.03","","","0.0777","0.0814","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342992","11.2267","0.0002","17.013","0.0003","12.2564","0.0002","90","","108.149","0.001","90","","2224.51","0.07","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Ag F6 N O2 P S2 -","- C19 H23 Ag F6 N O2 P S2 -","- C76 H92 Ag4 F24 N4 O8 P4 S8 -","4","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0453","0.0383","","","0.0929","0.098","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342993","9.5135","0.0001","11.5738","0.0002","13.9234","0.0002","107.514","0.001","101.777","0.001","97.091","0.001","1402.88","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Ag2 F6 N O6 S2 -","- C23 H23 Ag2 F6 N O6 S2 -","- C46 H46 Ag4 F12 N2 O12 S4 -","2","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0285","0.0218","","","0.047","0.0499","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342994","15.0491","0.0008","18.8422","0.001","8.0315","0.0004","90","","91.875","0.002","90","","2276.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Ag2 N3 O8 S2 -","- C19 H23 Ag2 N3 O8 S2 -","- C76 H92 Ag8 N12 O32 S8 -","4","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0708","0.0656","","","0.1855","0.1884","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342995","10.1091","0.0003","19.8081","0.0006","25.7293","0.0007","90","","90","","90","","5152.1","0.3","173","2","173","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20.5 H23 Ag1.5 F4.5 N O6.5 S3.5 -","- C20.5 H23 Ag1.5 F4.5 N O6.5 S3.5 -","- C164 H184 Ag12 F36 N8 O52 S28 -","8","1","","Lee, Eunji; Park, Ki-Min; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","Coordination Networks of a Ditopic Macrocycle Exhibiting Anion-Controlled Dimensional Changes and Crystal-to-Crystal Anion Exchange.","Inorganic chemistry","2015","54","11","5372","5383","10.1021/acs.inorgchem.5b00422","","","0.71073","MoKα","","0.0318","0.0248","","","0.0558","0.0598","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4342996","16.9984","0.0004","11.4948","0.0003","14.9599","0.0003","90","","90","","90","","2923.06","0.12","100","0.2","100","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H26 Cl Ga N10 O12 -","- C26 H26 Cl Ga N10 O12 -","- C104 H104 Cl4 Ga4 N40 O48 -","4","0.5","","Ramogida, Caterina F.; Pan, Jinhe; Ferreira, Cara L.; Patrick, Brian O.; Rebullar, Karla; Yapp, Donald T. T.; Lin, Kuo-Shyan; Adam, Michael J.; Orvig, Chris","Nitroimidazole-Containing H2dedpa and H2CHXdedpa Derivatives as Potential PET Imaging Agents of Hypoxia with (68)Ga.","Inorganic chemistry","2015","54","10","4953","4965","10.1021/acs.inorgchem.5b00554","","","0.71073","MoKα","","0.068","0.0435","","","0.1084","0.1214","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342997","38.298","0.003","9.811","0.0008","25.791","0.002","90","","130.773","0.004","90","","7338.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cl Ga N10 O12 -","- C28 H30 Cl Ga N10 O12 -","- C224 H240 Cl8 Ga8 N80 O96 -","8","1","","Ramogida, Caterina F.; Pan, Jinhe; Ferreira, Cara L.; Patrick, Brian O.; Rebullar, Karla; Yapp, Donald T. T.; Lin, Kuo-Shyan; Adam, Michael J.; Orvig, Chris","Nitroimidazole-Containing H2dedpa and H2CHXdedpa Derivatives as Potential PET Imaging Agents of Hypoxia with (68)Ga.","Inorganic chemistry","2015","54","10","4953","4965","10.1021/acs.inorgchem.5b00554","","","0.71073","MoKα","","0.0793","0.056","","","0.1425","0.1523","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4342998","11.1729","0.0011","6.3712","0.0007","8.6929","0.0009","90","","90","","90","","618.8","0.11","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Uranyl(VI)Formohydroxamate","","","- C2 H4 N2 O6 U -","- C2 H4 N2 O6 U -","- C8 H16 N8 O24 U4 -","4","0.5","","Silver, Mark A.; Dorfner, Walter L.; Cary, Samantha K.; Cross, Justin N.; Lin, Jian; Schelter, Eric J.; Albrecht-Schmitt, Thomas E","Why is uranyl formohydroxamate red?","Inorganic chemistry","2015","54","11","5280","5284","10.1021/acs.inorgchem.5b00262","","","0.71073","MoKα","","0.0353","0.0251","","","0.0561","0.0591","","","","","","1.357","","","","has coordinates","138160","2020-10-21","18:00:00",""
"4343001","13.666","0.003","13.913","0.003","14.58","0.004","73.2","0.02","67.95","0.03","83.27","0.03","2459.6","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Carbonyl ruthenium(II) 5,10,15,20-tetraphenyl-21-hydroxyazuliporphyrin","","- C61 H56 N3 O4.5 Ru -","- C58.66 H50.235 N3 O3.915 Ru -","- C117.32 H100.47 N6 O7.83 Ru2 -","2","1","","Białek, Michał J; Białońska, Agata; Latos-Grażyński, Lechosław","Oxidation and Oxygenation of Carbonyl Ruthenium(II) Azuliporphyrin.","Inorganic chemistry","2015","54","13","6184","6194","10.1021/acs.inorgchem.5b00324","","","1.54175","CuKα","","0.1888","0.1108","","","0.2447","0.2935","","","","","","0.854","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343002","13.427","0.003","13.427","0.003","44.203","0.007","90","","90","","90","","7969","3","100.02","0.1","100.02","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C103 H64 Cl2 N6 O4 Ru2 -","- C102 H62 N6 O4 Ru2 -","- C408 H248 N24 O16 Ru8 -","4","0.5","","Białek, Michał J; Białońska, Agata; Latos-Grażyński, Lechosław","Oxidation and Oxygenation of Carbonyl Ruthenium(II) Azuliporphyrin.","Inorganic chemistry","2015","54","13","6184","6194","10.1021/acs.inorgchem.5b00324","","","0.71073","MoKα","","0.3286","0.1055","","","0.1698","0.2643","","","","","","0.967","","","","has coordinates","152795","2020-10-21","18:00:00",""
"4343003","9.588","0.0011","23.667","0.003","9.2489","0.001","90","","95.946","0.003","90","","2087.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Al2 N2 O4 -","- C40 H68 Al2 N2 O4 -","- C80 H136 Al4 N4 O8 -","2","0.5","","Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming","Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.","Inorganic chemistry","2015","54","10","4699","4708","10.1021/acs.inorgchem.5b00022","","","0.71075","MoKα","","0.0672","0.0553","","","0.1414","0.1495","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343004","8.7345","0.001","10.4642","0.0011","12.0312","0.001","71.876","0.007","72.906","0.007","87.727","0.009","997.3","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H64 Al2 N2 O2 -","- C38 H64 Al2 N2 O2 -","- C38 H64 Al2 N2 O2 -","1","0.5","","Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming","Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.","Inorganic chemistry","2015","54","10","4699","4708","10.1021/acs.inorgchem.5b00022","","","0.71075","MoKα","","0.0845","0.0519","","","0.1303","0.1438","","","","","","1.073","","","","has coordinates,has disorder","138129","2020-10-21","18:00:00",""
"4343005","10.682","0.002","11.29","0.002","14.323","0.003","90","","107.66","0.03","90","","1645.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Al N O -","- C16 H26 Al N O -","- C64 H104 Al4 N4 O4 -","4","1","","Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming","Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.","Inorganic chemistry","2015","54","10","4699","4708","10.1021/acs.inorgchem.5b00022","","","0.71073","MoKα","","0.0632","0.0563","","","0.1407","0.145","","","","","","1.155","","","","has coordinates","138129","2020-10-21","18:00:00",""
"4343006","9.132","0.0018","10.919","0.002","10.999","0.002","100.64","0.03","96.13","0.03","100.12","0.03","1050.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Al N O -","- C21 H36 Al N O -","- C42 H72 Al2 N2 O2 -","2","1","","Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming","Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.","Inorganic chemistry","2015","54","10","4699","4708","10.1021/acs.inorgchem.5b00022","","","0.71073","MoKα","","0.0802","0.0566","","","0.1292","0.139","","","","","","0.821","","","","has coordinates","138129","2020-10-21","18:00:00",""
"4343007","13.057","0.004","13.344","0.004","13.504","0.004","113.134","0.009","93.388","0.003","102.868","0.007","2080.9","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H69 Al N2 O2 -","- C42 H69 Al N2 O2 -","- C84 H138 Al2 N4 O4 -","2","1","","Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming","Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.","Inorganic chemistry","2015","54","10","4699","4708","10.1021/acs.inorgchem.5b00022","","","0.71075","MoKα","","0.1875","0.1076","","","0.1925","0.2327","","","","","","1.137","","","","has coordinates,has disorder","138129","2020-10-21","18:00:00",""
"4343008","32.7304","0.0006","32.7304","0.0006","32.7304","0.0006","90","","90","","90","","35063.4","1.1","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H38 O16 Zr3 -","- C72 H32 O16 Zr3 -","- C576 H256 O128 Zr24 -","8","0.0416667","","Li, Bijian; Gui, Bo; Hu, Guiping; Yuan, Daqiang; Wang, Cheng","Postsynthetic Modification of an Alkyne-Tagged Zirconium Metal-Organic Framework via a ""Click"" Reaction.","Inorganic chemistry","2015","54","11","5139","5141","10.1021/acs.inorgchem.5b00535","","","0.8","synchrotron","","0.1021","0.0979","","","0.3164","0.3256","","","","","","1.549","","","","has coordinates","138161","2020-10-21","18:00:00",""
"4343009","8.0491","0.0005","16.7053","0.0013","27.17","0.002","90","","96.675","0.007","90","","3628.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N O7 Tb -","- C30 H22 N O7 Tb -","- C120 H88 N4 O28 Tb4 -","4","1","","Xu, Hang; Hu, Huan-Cheng; Cao, Chun-Shuai; Zhao, Bin","Lanthanide organic framework as a regenerable luminescent probe for fe(3.).","Inorganic chemistry","2015","54","10","4585","4587","10.1021/acs.inorgchem.5b00113","","","0.71073","MoKα","","0.0675","0.059","","","0.1281","0.1316","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343010","9.6042","0.0004","20.1819","0.0009","14.5495","0.0007","90","","94.726","0.001","90","","2810.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B11 Cl11 P Pd -","- C10 H19 B11 Cl11 P Pd -","- C40 H76 B44 Cl44 P4 Pd4 -","4","1","","Estrada, Jess; Woen, David H.; Tham, Fook S.; Miyake, Garret M.; Lavallo, Vincent","Synthesis and reactivity of a zwitterionic palladium allyl complex supported by a perchlorinated carboranyl phosphine.","Inorganic chemistry","2015","54","11","5142","5144","10.1021/acs.inorgchem.5b00576","","","0.71073","MoKα","","0.0515","0.0384","","","0.0817","0.0876","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343011","14.0024","0.0005","12.726","0.0004","23.2277","0.0008","90","","107.238","0.0016","90","","3953.1","0.2","123","1","123","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H68 B2 F8 Fe2 Mo2 N2 O4 P4 -","- C76 H68 B2 F8 Fe2 Mo2 N2 O4 P4 -","- C152 H136 B4 F16 Fe4 Mo4 N4 O8 P8 -","2","0.5","","Cai, Xu-Min; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E","Rational Synthesis and Characterization of Dimolybdenum(II) Compounds Bearing Ferrocenyl-Containing Ligands toward Modulation of Electronic Coupling.","Inorganic chemistry","2015","","","150317135657008","","10.1021/ic502913w","","","0.71073","MoKα","","0.0466","0.0438","","","0.1125","0.1141","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343012","15.8736","0.0005","16.1118","0.0005","16.6044","0.0005","72.3049","0.0015","74.3632","0.0016","70.2607","0.0015","3741.4","0.2","123","1","123","1","","","","","","","","9","P -1","-P 1","2","","","","- C76 H70 B2 Cl4 F8 Fe2 Mo2 O4 P4 -","- C76 H70 B2 Cl4 F8 Fe2 Mo2 O4 P4 -","- C152 H140 B4 Cl8 F16 Fe4 Mo4 O8 P8 -","2","1","","Cai, Xu-Min; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E","Rational Synthesis and Characterization of Dimolybdenum(II) Compounds Bearing Ferrocenyl-Containing Ligands toward Modulation of Electronic Coupling.","Inorganic chemistry","2015","","","150317135657008","","10.1021/ic502913w","","","0.71073","MoKα","","0.0283","0.0245","","","0.0594","0.0622","","","","","","1.027","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4343013","11.2454","0.0016","14.308","0.002","21.196","0.003","77.757","0.004","81.451","0.004","75.416","0.004","3209.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H90 N8 Ni4 O21 -","- C50 H88 N8 Ni4 O21 -","- C100 H176 N16 Ni8 O42 -","2","1","","Pait, Moumita; Bauzá, Antonio; Frontera, Antonio; Colacio, Enrique; Ray, Debashis","A new family of ni4 and ni6 aggregates from the self-assembly of [ni2] building units: role of carboxylate and carbonate bridges.","Inorganic chemistry","2015","54","10","4709","4723","10.1021/acs.inorgchem.5b00039","","","0.71073","MoKα","","0.1041","0.056","","","0.1288","0.1541","","","","","","1.044","","","","has coordinates","138133","2020-10-21","18:00:00",""
"4343014","9.522","0.002","14.168","0.003","17.741","0.004","91.6","0.007","102.804","0.007","94.272","0.006","2325","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N8 Ni4 O16 -","- C34 H46 N8 Ni4 O16 -","- C68 H92 N16 Ni8 O32 -","2","1","","Pait, Moumita; Bauzá, Antonio; Frontera, Antonio; Colacio, Enrique; Ray, Debashis","A new family of ni4 and ni6 aggregates from the self-assembly of [ni2] building units: role of carboxylate and carbonate bridges.","Inorganic chemistry","2015","54","10","4709","4723","10.1021/acs.inorgchem.5b00039","","","0.71073","MoKα","","0.1544","0.0744","","","0.1956","0.2465","","","","","","1.013","","","","has coordinates","138133","2020-10-21","18:00:00",""
"4343015","16.9227","0.0006","24.5016","0.0008","23.029","0.0007","90","","127.462","0.002","90","","7579.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H87 Cl N6 Ni6 O33 -","- C52 H69 Cl N6 Ni6 O33 -","- C208 H276 Cl4 N24 Ni24 O132 -","4","1","","Pait, Moumita; Bauzá, Antonio; Frontera, Antonio; Colacio, Enrique; Ray, Debashis","A new family of ni4 and ni6 aggregates from the self-assembly of [ni2] building units: role of carboxylate and carbonate bridges.","Inorganic chemistry","2015","54","10","4709","4723","10.1021/acs.inorgchem.5b00039","","","0.71073","MoKα","","0.1168","0.0557","","","0.14","0.1667","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343016","21.693","0.004","21.693","0.004","21.693","0.004","90","","90","","90","","10208","3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Co4-TEA(R)","","","- C96 H94 Co4 N7 O12 -","- C96 H94 Co4 N7 O12 -","- C384 H376 Co16 N28 O48 -","4","0.333333","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.083","0.0791","","","0.1985","0.2024","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343017","21.652","0.007","21.652","0.007","21.652","0.007","90","","90","","90","","10151","6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Co4-TEA(S)","","","- C96 H94 Co4 N7 O12 -","- C96 H94 Co4 N7 O12 -","- C384 H376 Co16 N28 O48 -","4","0.333333","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0974","0.0847","","","0.2118","0.2243","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343018","14.6121","0.0016","25.397","0.003","27.754","0.003","90","","90","","90","","10300","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-DBU(R)","","","- C108 H105.5 Co4 N11 O15.25 -","- C108 H105.5 Co4 N11 O15.25 -","- C432 H422 Co16 N44 O61 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0712","0.0662","","","0.1778","0.1858","","","","","","1.127","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343019","16.0739","0.0002","22.6331","0.0003","17.3613","0.0002","90","","111.303","0.0004","90","","5884.52","0.13","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","Co4-tBu-TEA(R)","","","- C120 H148 Co4 N7 O15 -","- C120 H148 Co4 N7 O15 -","- C240 H296 Co8 N14 O30 -","2","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.078","0.0437","","","0.0805","0.0882","","","","","","0.949","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4343020","12.78","0.003","19.188","0.004","47.313","0.01","90","","90","","90","","11602","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co4-Br-DBU(R)","","","- C117 H131 Br6 Co4 N14 O18 -","- C117 H131 Br6 Co4 N14 O18 -","- C468 H524 Br24 Co16 N56 O72 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.1152","0.0929","","","0.227","0.2514","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343021","12.583","0.003","19.12","0.004","45.556","0.009","90","","90","","90","","10960","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-NO2-DIPEA(R)","","","- C110 H120 Co4 N17 O28 -","- C110 H120 Co4 N17 O28 -","- C440 H480 Co16 N68 O112 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.7","SynchrotronRadiation","","0.066","0.0528","","","0.1353","0.1459","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343022","18.076","0.003","18.076","0.003","45.656","0.009","90","","90","","90","","14918","5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Co4L6-NO2-DBU(R)","","","- C96 H86 Co4 N14 O26 -","- C96 H86 Co4 N14 O26 -","- C384 H344 Co16 N56 O104 -","4","0.5","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.7","SynchrotronRadiation","","0.052","0.0482","","","0.1446","0.149","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343023","19.547","0.004","19.704","0.004","29.635","0.006","90","","90","","90","","11414","4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-NO2-TBAB(R)","","","- C115 H129 Co4 N16 O27 -","- C115 H129 Co4 N16 O27 -","- C460 H516 Co16 N64 O108 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0596","0.0529","","","0.1365","0.155","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343024","10.058","0.003","10.788","0.003","11.968","0.003","75.852","0.012","73.342","0.011","88.951","0.012","1204.5","0.6","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu2 I2 N6 O -","- C20 H23 Cu2 I2 N6 O -","- C40 H46 Cu4 I4 N12 O2 -","2","1","","Hayashi, Takahiro; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Matsumoto, Takeshi; Chang, Ho-Chol; Kato, Masako","Vapochromic Luminescence and Flexibility Control of Porous Coordination Polymers by Substitution of Luminescent Multinuclear Cu(I) Cluster Nodes.","Inorganic chemistry","2015","54","18","8905","8913","10.1021/acs.inorgchem.5b00578","","","0.71075","MoKα","","0.0729","0.051","","","0.1157","0.1225","","","","","","1.04","","","","has coordinates","160486","2020-10-21","18:00:00",""
"4343025","14.765","0.005","17.932","0.006","16.285","0.005","90","","105.678","0.003","90","","4151","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu4 I4 N7 -","- C24 H18 Cu4 I4 N6 -","- C96 H72 Cu16 I16 N24 -","4","1","","Hayashi, Takahiro; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Matsumoto, Takeshi; Chang, Ho-Chol; Kato, Masako","Vapochromic Luminescence and Flexibility Control of Porous Coordination Polymers by Substitution of Luminescent Multinuclear Cu(I) Cluster Nodes.","Inorganic chemistry","2015","54","18","8905","8913","10.1021/acs.inorgchem.5b00578","","","0.6889","","","0.0671","0.0626","","","0.1697","0.1747","","","","","","0.861","","","","has coordinates","160486","2020-10-21","18:00:00",""
"4343026","12.342","0.003","13.667","0.003","24.784","0.005","90","","90.776","0.006","90","","4180.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N14 Ni4 O16 -","- C76 H98 N14 Ni4 O16 -","- C152 H196 N28 Ni8 O32 -","2","0.5","","Ghosh, Aloke Kumar; Singha Mahapatra, Tufan; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Ray, Debashis","Direct C-N Coupling in an in Situ Ligand Transformation and the Self-Assembly of a Tetrametallic [Ni(II)4] Staircase.","Inorganic chemistry","2015","54","11","5136","5138","10.1021/acs.inorgchem.5b00411","","","0.71073","MoKα","","0.1653","0.087","","","0.2247","0.2929","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343027","23.9444","0.0008","19.8831","0.0008","13.1867","0.0005","90","","118.859","0.002","90","","5498.4","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 F24 N10 Ni P4 -","- C48 H42 F24 N10 Ni P4 -","- C192 H168 F96 N40 Ni4 P16 -","4","0.5","","Han, Yongzhen; Wu, Yizhen; Lai, Wenzhen; Cao, Rui","Electrocatalytic Water Oxidation by a Water-Soluble Nickel Porphyrin Complex at Neutral pH with Low Overpotential.","Inorganic chemistry","2015","54","11","5604","5613","10.1021/acs.inorgchem.5b00924","","","0.71073","MoKα","","0.0508","0.046","","","0.1244","0.1298","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343028","28.1801","0.0016","6.4192","0.0004","31.7478","0.0017","90","","101.989","0.003","90","","5617.7","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 F12 N8 Ni O16 S4 -","- C48 H36 F12 N8 Ni O16 S4 -","- C192 H144 F48 N32 Ni4 O64 S16 -","4","0.5","","Han, Yongzhen; Wu, Yizhen; Lai, Wenzhen; Cao, Rui","Electrocatalytic Water Oxidation by a Water-Soluble Nickel Porphyrin Complex at Neutral pH with Low Overpotential.","Inorganic chemistry","2015","54","11","5604","5613","10.1021/acs.inorgchem.5b00924","","","0.71073","MoKα","","0.045","0.0427","","","0.1101","0.1118","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343029","10.8141","0.0017","13.092","0.002","27.175","0.004","90","","90.144","0.003","90","","3847.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 In2 N24 O22 S4 -","- C12 H28 In2 N24 O22 S4 -","- C48 H112 In8 N96 O88 S16 -","4","1","","Manna, Biplab; Anothumakkool, Bihag; Desai, Aamod V.; Samanta, Partha; Kurungot, Sreekumar; Ghosh, Sujit K.","Coherent fusion of water array and protonated amine in a metal-sulfate-based coordination polymer for proton conduction.","Inorganic chemistry","2015","54","11","5366","5371","10.1021/acs.inorgchem.5b00416","","","0.71073","MoKα","","0.118","0.0964","","","0.2504","0.2683","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343030","25.4902","0.0004","14.7273","0.0002","27.1139","0.0005","90","","94.6592","0.0017","90","","10145","0.3","133","3","133","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H25 Cu3 N13 O14 -","- C36 H25 Cu3 N13 O14 -","- C288 H200 Cu24 N104 O112 -","8","1","","Chen, Di-Ming; Zhang, Xiao-Ping; Shi, Wei; Cheng, Peng","Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4.","Inorganic chemistry","2015","54","11","5512","5518","10.1021/acs.inorgchem.5b00561","","","0.71073","MoKα","","0.0612","0.0576","","","0.1588","0.1628","","","","","","1.062","","","","has coordinates,has disorder","138149","2020-10-21","18:00:00",""
"4343031","25.6014","0.0003","14.8269","0.0002","27.3104","0.0004","90","","94.322","0.001","90","","10337.3","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C72 H46 Cu6 N24 O18 -","- C72 H46 Cu6 N24 O18 -","- C288 H184 Cu24 N96 O72 -","4","1","","Chen, Di-Ming; Zhang, Xiao-Ping; Shi, Wei; Cheng, Peng","Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4.","Inorganic chemistry","2015","54","11","5512","5518","10.1021/acs.inorgchem.5b00561","","","0.71073","MoKα","","0.0665","0.0546","","","0.1601","0.1676","","","","","","1.103","","","","has coordinates,has disorder","138149","2020-10-21","18:00:00",""
"4343032","25.5831","0.0005","14.8084","0.0003","27.2527","0.0011","90","","94.656","0.003","90","","10290.5","0.5","150.05","0.1","150.05","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C72 H48 Cu6 N24 O18 -","- C72 H48 Cu6 N24 O18 -","- C288 H192 Cu24 N96 O72 -","4","1","","Chen, Di-Ming; Zhang, Xiao-Ping; Shi, Wei; Cheng, Peng","Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4.","Inorganic chemistry","2015","54","11","5512","5518","10.1021/acs.inorgchem.5b00561","","","0.71073","MoKα","","0.0919","0.0683","","","0.1936","0.2072","","","","","","1.094","","","","has coordinates,has disorder","138149","2020-10-21","18:00:00",""
"4343033","25.7877","0.0006","14.8425","0.0004","26.8476","0.0012","90","","91.062","0.003","90","","10274.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H25 Cu3 N12 O9 -","- C36 H25 Cu3 N12 O9 -","- C288 H200 Cu24 N96 O72 -","8","1","","Chen, Di-Ming; Zhang, Xiao-Ping; Shi, Wei; Cheng, Peng","Microporous Metal-Organic Framework Based on a Bifunctional Linker for Selective Sorption of CO2 over N2 and CH4.","Inorganic chemistry","2015","54","11","5512","5518","10.1021/acs.inorgchem.5b00561","","","0.71073","MoKα","","0.0616","0.0494","","","0.1318","0.1404","","","","","","1.026","","","","has coordinates","138149","2020-10-21","18:00:00",""
"4343034","10.317","0.0001","10.317","0.0001","10.317","0.0001","90","","90","","90","","1098.15","0.018","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al8 Na8 Si38 -","- Al7.86 Na8 Si38.14 -","- Al7.86 Na8 Si38.14 -","1","0.0208333","","Dong, Yongkwan; Chai, Ping; Beekman, Matt; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.","Precursor Routes to Complex Ternary Intermetallics: Single-Crystal and Microcrystalline Preparation of Clathrate-I Na8Al8Si38 from NaSi + NaAlSi.","Inorganic chemistry","2015","54","11","5316","5321","10.1021/acs.inorgchem.5b00348","","","1.54178","CuKα","","0.0152","0.013","","","0.0339","0.0348","","","","","","1.108","","","","has coordinates","138162","2020-10-21","18:00:00",""
"4343035","7.98385","0.00017","6.3156","0.00014","9.5641","0.0004","90","","90","","90","","482.25","0.03","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu H K Mo O5 -","- Cu K Mo O5 -","- Cu4 K4 Mo4 O20 -","4","0.5","","Nawa, Kazuhiro; Yajima, Takeshi; Okamoto, Yoshihiko; Hiroi, Zenji","Orbital Arrangements and Magnetic Interactions in the Quasi-One-Dimensional Cuprates ACuMoO4(OH) (A = Na, K).","Inorganic chemistry","2015","54","11","5566","5570","10.1021/acs.inorgchem.5b00686","","","0.71075","MoKα","","0.0211","0.0204","","","0.0527","0.0531","","","","","","1.245","","","","has coordinates","138165","2020-10-21","18:00:00",""
"4343036","26.881","0.003","28.411","0.003","36.617","0.004","90","","90","","90","","27965","5","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C100 H97 Cl3 Dy6 N24 O34 -","- C100 H78 Cl3 Dy6 N24 O34 -","- C800 H624 Cl24 Dy48 N192 O272 -","8","0.5","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.","Inorganic chemistry","2015","54","11","5571","5578","10.1021/acs.inorgchem.5b00702","","","0.71073","MoKα","","0.1388","0.068","","","0.2003","0.2567","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343037","12.1432","0.0006","13.8045","0.0007","34.8017","0.0018","90","","91.589","0.001","90","","5831.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cl2 Dy3 N12 O16 -","- C52 H47 Cl2 Dy3 N12 O16 -","- C208 H188 Cl8 Dy12 N48 O64 -","4","1","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.","Inorganic chemistry","2015","54","11","5571","5578","10.1021/acs.inorgchem.5b00702","","","0.71073","MoKα","","0.049","0.0361","","","0.077","0.0827","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343038","12.0267","0.0007","14.5603","0.0008","16.7639","0.001","82.947","0.001","88.014","0.001","80.442","0.001","2872.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 Dy3 N14 O21 -","- C51 H43 Dy3 N14 O21 -","- C102 H86 Dy6 N28 O42 -","2","1","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.","Inorganic chemistry","2015","54","11","5571","5578","10.1021/acs.inorgchem.5b00702","","","0.71073","MoKα","","0.0908","0.0512","","","0.118","0.1394","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343039","12.2026","0.0005","14.7513","0.0006","17.1605","0.0007","77.987","0.001","86.585","0.001","78.286","0.001","2957.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H47 Cl2 Dy3 N12 O22 -","- C52 H47 Cl2 Dy3 N12 O22 -","- C104 H94 Cl4 Dy6 N24 O44 -","2","1","","Zhang, Li; Zhang, Peng; Zhao, Lang; Wu, Jianfeng; Guo, Mei; Tang, Jinkui","Anions Influence the Relaxation Dynamics of Mono-μ3-OH-Capped Triangular Dysprosium Aggregates.","Inorganic chemistry","2015","54","11","5571","5578","10.1021/acs.inorgchem.5b00702","","","0.71073","MoKα","","0.0607","0.0442","","","0.1138","0.1253","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343040","12.1642","0.0002","12.1642","0.0002","14.9912","0.0004","90","","90","","90","","2218.21","0.08","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0353","0.0342","","","0.0755","0.0776","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343041","12.1724","0.0005","12.1724","0.0005","15.0581","0.0006","90","","90","","90","","2231.12","0.16","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.038","0.0347","","","0.0704","0.0726","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343042","12.1822","0.0009","12.1822","0.0009","15.117","0.0008","90","","90","","90","","2243.5","0.3","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0672","0.0535","","","0.0962","0.1045","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343043","12.1343","0.0004","12.1343","0.0004","14.9938","0.0006","90","","90","","90","","2207.71","0.14","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0394","0.0365","","","0.0684","0.0698","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343044","12.1803","0.0003","12.1803","0.0003","15.0789","0.0004","90","","90","","90","","2237.1","0.1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0307","0.0292","","","0.063","0.0641","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343045","12.1807","0.0003","12.1807","0.0003","15.0545","0.0004","90","","90","","90","","2233.63","0.1","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0345","0.0325","","","0.0664","0.0677","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343046","12.1584","0.0005","12.1584","0.0005","15.0541","0.0007","90","","90","","90","","2225.4","0.17","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0315","0.0302","","","0.0663","0.0672","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343047","12.1871","0.0003","12.1871","0.0003","15.1107","0.0004","90","","90","","90","","2244.32","0.1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0471","0.0413","","","0.0743","0.0765","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343048","19.5489","0.0007","14.1446","0.0003","18.4719","0.0007","90","","116.39","0.005","90","","4575.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 Dy O6 Si -","- C50 H59 Dy O6 Si -","- C200 H236 Dy4 O24 Si4 -","4","1","","Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song","Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability of Magnetism.","Inorganic chemistry","2015","54","11","5162","5168","10.1021/ic502734z","","","0.71073","MoKα","","0.0467","0.0323","","","0.0682","0.0753","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343049","14.1877","0.0004","12.2396","0.0004","24.4095","0.0008","90","","119.265","0.002","90","","3697.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Dy O5 -","- C44 H45 Dy O5 -","- C176 H180 Dy4 O20 -","4","1","","Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song","Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability of Magnetism.","Inorganic chemistry","2015","54","11","5162","5168","10.1021/ic502734z","","","0.71073","MoKα","","0.0558","0.0328","","","0.0656","0.0725","","","","","","1.008","","","","has coordinates","138155","2020-10-21","18:00:00",""
"4343050","13.822","0.003","16.192","0.003","23.408","0.005","90","","105.43","0.03","90","","5050","1.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 Dy O5 -","- C57 H63 Dy O5 -","- C228 H252 Dy4 O20 -","4","1","","Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song","Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability of Magnetism.","Inorganic chemistry","2015","54","11","5162","5168","10.1021/ic502734z","","","0.71073","MoKα","","0.0702","0.0587","","","0.1115","0.1171","","","","","","1.177","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343051","11.4117","0.0005","15.4422","0.0006","21.9728","0.0009","98.225","0.002","98.85","0.003","110.687","0.003","3496.7","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C127 H134 Cl4 Cu2 N2 P6 S6 Si6 -","- C127 H134 Cl4 Cu2 N2 P6 S6 Si6 -","- C127 H134 Cl4 Cu2 N2 P6 S6 Si6 -","1","0.5","","Chang, Hao-Ching; Lo, Feng-Chun; Liu, Wen-Chi; Lin, Tsung-Han; Liaw, Wen-Feng; Kuo, Ting-Shen; Lee, Way-Zen","Ambient Stable Trigonal Bipyramidal Copper(III) Complexes Equipped with an Exchangeable Axial Ligand.","Inorganic chemistry","2015","54","11","5527","5533","10.1021/acs.inorgchem.5b00603","","","0.71073","MoKα","","0.163","0.0783","","","0.1916","0.2198","","","","","","0.974","","","","has coordinates","138156","2020-10-21","18:00:00",""
"4343052","14.7323","0.001","15.12","0.0014","18.1122","0.0016","75.436","0.004","83.822","0.004","66.337","0.004","3576.5","0.5","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C63.5 H67 Cl Cu N4 P3 S3 Si3 -","- C63.5 H67 Cl Cu N4 P3 S3 Si3 -","- C127 H134 Cl2 Cu2 N8 P6 S6 Si6 -","2","1","","Chang, Hao-Ching; Lo, Feng-Chun; Liu, Wen-Chi; Lin, Tsung-Han; Liaw, Wen-Feng; Kuo, Ting-Shen; Lee, Way-Zen","Ambient Stable Trigonal Bipyramidal Copper(III) Complexes Equipped with an Exchangeable Axial Ligand.","Inorganic chemistry","2015","54","11","5527","5533","10.1021/acs.inorgchem.5b00603","","","0.71073","MoKα","","0.0888","0.062","","","0.1745","0.1894","","","","","","1.062","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343053","10.097","0.0004","15.1624","0.0006","15.3101","0.0007","110.765","0.002","98.845","0.002","105.154","0.002","2035.04","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cu N2 P S3 Si3 -","- C36 H51 Cu N2 P S3 Si3 -","- C72 H102 Cu2 N4 P2 S6 Si6 -","2","1","","Chang, Hao-Ching; Lo, Feng-Chun; Liu, Wen-Chi; Lin, Tsung-Han; Liaw, Wen-Feng; Kuo, Ting-Shen; Lee, Way-Zen","Ambient Stable Trigonal Bipyramidal Copper(III) Complexes Equipped with an Exchangeable Axial Ligand.","Inorganic chemistry","2015","54","11","5527","5533","10.1021/acs.inorgchem.5b00603","","","0.71073","MoKα","","0.0535","0.0363","","","0.0874","0.0958","","","","","","1.012","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343054","15.0556","0.0007","9.8671","0.0005","17.9498","0.0009","90","","112.57","0.002","90","","2462.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Cl O2 Zr -","- C27 H35 Cl O2 Zr -","- C108 H140 Cl4 O8 Zr4 -","4","1","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","1.54178","CuKα","","0.0771","0.0757","","","0.2042","0.2052","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343055","7.959","0.002","16.265","0.004","17.243","0.004","90","","100.383","0.004","90","","2195.6","0.9","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl2 O8 Zr2 -","- C48 H50 Cl2 O8 Zr2 -","- C96 H100 Cl4 O16 Zr4 -","2","0.5","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","1.54178","CuKα","","0.0823","0.0496","","","0.1083","0.1207","","","","","","0.953","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343056","10.2375","0.0012","11.8312","0.0013","19.967","0.002","93.212","0.004","90.816","0.006","97.995","0.004","2390.6","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C52 H60 O11 Zr2 -","- C52 H60 O11 Zr2 -","- C104 H120 O22 Zr4 -","2","1","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","1.54178","CuKα","","0.0516","0.0495","","","0.1387","0.1417","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343057","10.3614","0.0001","11.8531","0.0001","20.0032","0.0002","92.406","0.001","90.895","0.001","98.272","0.001","2428.4","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 O11 Zr2 -","- C52 H62 O11 Zr2 -","- C104 H124 O22 Zr4 -","2","1","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","0.71073","MoKα","","0.0422","0.0327","","","0.0781","0.0838","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343058","10.4657","0.0001","11.8773","0.0002","20.0321","0.0002","91.861","0.001","91.039","0.001","98.42","0.001","2461.28","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 O11 Zr2 -","- C52 H62 O11 Zr2 -","- C104 H124 O22 Zr4 -","2","1","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","0.71073","MoKα","","0.0587","0.0374","","","0.087","0.0972","","","","","","1.038","","","","has coordinates","138168","2020-10-21","18:00:00",""
"4343059","12.1886","0.0001","38.8446","0.0005","24.5475","0.0003","90","","99.873","0.001","90","","11450.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 Cl6 O10 Zr4 -","- C72 H84 Cl6 O10 Zr4 -","- C432 H504 Cl36 O60 Zr24 -","6","1.5","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","0.71073","MoKα","","0.0766","0.0621","","","0.1465","0.1531","","","","","","1.202","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4343060","12.2221","0.0002","31.1359","0.0006","19.8393","0.0004","90","","93.213","0.001","90","","7537.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H72 Br3 Cl6 O8 Zr4 -","- C61 H72 Br3 Cl6 O8 Zr4 -","- C244 H288 Br12 Cl24 O32 Zr16 -","4","1","","Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges","Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.","Inorganic chemistry","2015","54","11","5547","5555","10.1021/acs.inorgchem.5b00634","","","0.71073","MoKα","","0.1018","0.0685","","","0.1627","0.1769","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343061","25.787","0.0018","20.0225","0.0018","10.777","0.0008","90","","102.411","0.001","90","","5434.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 N4 Si Y -","- C60 H69 N4 Si Y -","- C240 H276 N16 Si4 Y4 -","4","0.5","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0816","0.0442","","","0.087","0.1009","","","","","","0.965","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343062","25.775","0.004","20.01","0.004","10.757","0.0019","90","","102.394","0.002","90","","5418.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 Er N4 Si -","- C60 H69 Er N4 Si -","- C240 H276 Er4 N16 Si4 -","4","0.5","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0427","0.0313","","","0.0728","0.0783","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343063","25.79","0.002","20.009","0.002","10.779","0.0012","90","","102.402","0.002","90","","5432.5","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 Dy N4 Si -","- C60 H69 Dy N4 Si -","- C240 H276 Dy4 N16 Si4 -","4","0.5","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0371","0.0279","","","0.064","0.0683","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343064","11.5081","0.0013","13.3416","0.0015","15.0254","0.0017","92.896","0.001","96.46","0.001","99.622","0.001","2254.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H67 N2 O2 Si2 Yb -","- C44 H67 N2 O2 Si2 Yb -","- C88 H134 N4 O4 Si4 Yb2 -","2","1","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0939","0.0386","","","0.0964","0.1048","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343065","11.9799","0.0011","19.0365","0.0017","20.2988","0.0018","90","","93.356","0.001","90","","4621.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N4 Si Y -","- C48 H61 N4 Si Y -","- C192 H244 N16 Si4 Y4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.1488","0.0545","","","0.1147","0.1452","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343066","11.9602","0.0011","19.0104","0.0017","20.3128","0.0018","90","","93.458","0.001","90","","4610.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 Er N4 Si -","- C48 H61 Er N4 Si -","- C192 H244 Er4 N16 Si4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0568","0.034","","","0.0838","0.0961","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343067","11.9765","0.0017","19.047","0.003","20.3","0.003","90","","93.453","0.002","90","","4622.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 Dy N4 Si -","- C48 H61 Dy N4 Si -","- C192 H244 Dy4 N16 Si4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0666","0.0387","","","0.0853","0.0997","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343068","11.9105","0.0012","19.0469","0.0019","20.32","0.002","90","","93.337","0.001","90","","4601.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N4 Si Yb -","- C48 H61 N4 Si Yb -","- C192 H244 N16 Si4 Yb4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe","Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.","Inorganic chemistry","2015","54","12","5725","5731","10.1021/acs.inorgchem.5b00308","","","0.71073","MoKα","","0.0522","0.0327","","","0.0712","0.0796","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343069","10.8142","0.0005","27.5046","0.0013","22.366","0.001","90","","91.141","0.002","90","","6651.2","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 B Co N2 Na O10.5 P3 -","- C62 H86 B Co N2 Na O10.5 P3 -","- C248 H344 B4 Co4 N8 Na4 O42 P12 -","4","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.0999","0.0629","","","0.16","0.1797","","","","","","1.091","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343070","26.392","0.0015","19.7049","0.0013","26.4995","0.0019","90","","90","","90","","13781.1","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Co F24 P3 -","- C68 H66 B2 Co F24 P3 -","- C544 H528 B16 Co8 F192 P24 -","8","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.072","0.0459","","","0.1084","0.1241","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343071","19.372","0.0004","19.372","0.0004","48.1269","0.0014","90","","90","","120","","15641.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","n/a","CP3CoN2","","- C37 H54 Co N2 P3 -","- C37 H54 Co N2 P3 -","- C666 H972 Co18 N36 P54 -","18","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.0825","0.0738","","","0.191","0.2046","","","","","","1.088","","","","has coordinates,has disorder","170799","2020-10-21","18:00:00",""
"4343072","19.7869","0.0017","25.67","0.002","26.68","0.003","90","","90","","90","","13552","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","n/a","[CP3CoN2][BArF24]","","- C69 H66 B Co F24 N2 P3 -","- C69 H66 B Co F24 N2 P3 -","- C552 H528 B8 Co8 F192 N16 P24 -","8","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.1609","0.0747","","","0.1811","0.2254","","","","","","1.027","","","","has coordinates,has disorder","170799","2020-10-21","18:00:00",""
"4343073","10.9491","0.0007","14.9096","0.001","17.8512","0.0011","83.935","0.003","79.063","0.003","89.303","0.003","2845.1","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H80 B Cl Co N P3 -","- C63 H80 B Cl Co N P3 -","- C126 H160 B2 Cl2 Co2 N2 P6 -","2","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.0986","0.0457","","","0.0837","0.0978","","","","","","1","","","","has coordinates","170799","2020-10-21","18:00:00",""
"4343074","12.1057","0.0002","22.9932","0.0004","27.3994","0.0006","90","","90","","90","","7626.6","0.2","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C40 H50 Fe N2 O4 U -","- C40 H50 Fe N2 O4 U -","- C320 H400 Fe8 N16 O32 U8 -","8","0.5","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.0827","0.038","","","0.0648","0.0767","","","","","","1.009","","","","has coordinates","140082","2020-10-21","18:00:00",""
"4343075","13.4971","0.0003","21.8515","0.0005","22.1835","0.0004","106.294","0.0018","106.678","0.0018","92.5543","0.0019","5959.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H160 Fe2 K2 N4 O20 U2 -","- C114.5 H160 Fe2 K2 N4 O20 U2 -","- C229 H320 Fe4 K4 N8 O40 U4 -","2","1","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.1234","0.0569","","","0.1071","0.129","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343076","13.6625","0.0004","14.8238","0.0003","22.5571","0.0005","90","","107.265","0.003","90","","4362.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Olex2 1.1 (compiled 2011.11.01 svn.r2039, GUI svn.r3906)","","- C52 H44 Fe2 N4 O5 U -","- C52 H44 Fe2 N4 O5 U -","- C208 H176 Fe8 N16 O20 U4 -","4","1","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.0443","0.0355","","","0.0763","0.0802","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343077","14.547","0.0005","15.1229","0.0005","15.6904","0.0005","111.275","0.003","109.039","0.003","105.703","0.003","2728","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H121 Fe2 K2 N11 O16 U -","- C123 H121 Fe2 K2 N11 O16 U -","- C123 H121 Fe2 K2 N11 O16 U -","1","0.5","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.1151","0.0633","","","0.1285","0.1499","","","","","","1.04","","","","has coordinates,has disorder","140082","2020-10-21","18:00:00",""
"4343078","14.1711","0.0011","14.3703","0.0008","23.1519","0.0014","100.57","0.005","98.893","0.006","90.667","0.005","4575.1","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C184 H250 Fe4 K6 N8 O45 U2 -","- C184 H250 Fe4 K6 N8 O45 U2 -","- C184 H250 Fe4 K6 N8 O45 U2 -","1","0.5","","Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.","Inorganic chemistry","2015","54","12","5774","5783","10.1021/acs.inorgchem.5b00467","","","0.71073","MoKα","","0.0793","0.0517","","","0.1034","0.1151","","","","","","1.043","","","","has coordinates,has disorder","140082","2020-10-21","18:00:00",""
"4343079","12.391","0.0008","14.207","0.0009","23.1981","0.0017","90","","90","","90","","4083.8","0.5","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 B5 N2 O6 Sb -","- C42 H44 B5 N2 O6 Sb -","- C168 H176 B20 N8 O24 Sb4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.044","0.0334","","","0.0573","0.0618","","","","","","1.154","","","","has coordinates","140091","2020-10-21","18:00:00",""
"4343080","12.571","0.001","14.106","0.001","23.25","0.003","90","","90","","90","","4122.8","0.7","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 B5 Bi N2 O6.5 -","- C42 H45 B5 Bi N2 O6.5 -","- C168 H180 B20 Bi4 N8 O26 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.0433","0.0328","","","0.0638","0.0695","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343081","12.0481","0.0007","15.415","0.001","15.8549","0.001","63.29","0.005","71.087","0.004","86.852","0.004","2474","0.3","150","2","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C41 H37 B4 Cl2 F12 N2 O6 Sb -","- C40 H37 B4 F12 N2 O6 Sb -","- C80 H74 B8 F24 N4 O12 Sb2 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.2384","0.1188","","","0.2617","0.3413","","","","","","1.427","","","","has coordinates,has disorder","140091","2020-10-21","18:00:00",""
"4343082","9.4649","0.0006","12.8452","0.0009","14.538","0.0008","65.607","0.004","88.877","0.006","82.897","0.006","1596.41","0.18","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 B2 F12 N2 O3 Sb -","- C28 H25 B2 F12 N2 O3 Sb -","- C56 H50 B4 F24 N4 O6 Sb2 -","2","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.0314","0.0289","","","0.0724","0.0747","","","","","","1.227","","","","has coordinates","140091","2020-10-21","18:00:00",""
"4343083","10.884","0.0008","24.1291","0.0005","18.211","0.0009","90","","118.718","0.007","90","","4194.3","0.5","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B3 F18 N2 O4 Sb -","- C36 H28 B3 F18 N2 O4 Sb -","- C144 H112 B12 F72 N8 O16 Sb4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.0645","0.0463","","","0.1049","0.119","","","","","","1.066","","","","has coordinates,has disorder","140091","2020-10-21","18:00:00",""
"4343084","13.65","0.005","19.84","0.005","14.794","0.005","90","0.005","104.169","0.005","90","0.005","3885","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H54 Co3 N22 O15 W2 -","- C58 H54 Co3 N22 O15 W2 -","- C116 H108 Co6 N44 O30 W4 -","2","1","","Chorazy, Szymon; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Nitek, Wojciech; Mlynarski, Jacek; Rams, Michał; Kozieł, Marcin; Juszyńska Gałązka, Ewa; Vieru, Veacheslav; Chibotaru, Liviu F.; Sieklucka, Barbara","Optical Activity and Dehydration-Driven Switching of Magnetic Properties in Enantiopure Cyanido-Bridged Co(II)3W(V)2 Trigonal Bipyramids.","Inorganic chemistry","2015","54","12","5784","5794","10.1021/acs.inorgchem.5b00470","","","0.71069","MoKα","","0.0453","0.0312","","","0.0667","0.0693","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343085","32.448","0.003","7.1599","0.001","20.521","0.002","90","","100.688","0.01","90","","4684.8","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[ReOL10]","","","- C23 H25 N4 O5 Re S -","- C23 H25 N4 O5 Re S -","- C184 H200 N32 O40 Re8 S8 -","8","1","","Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich","Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation.","Inorganic chemistry","2015","54","12","5949","5959","10.1021/acs.inorgchem.5b00769","","","0.71073","MoKα","","0.125","0.0477","","","0.0776","0.0946","","","","","","0.872","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343086","32.213","0.002","7.1873","0.001","20.453","0.002","90","","100.286","0.01","90","","4659.3","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[TcL10]","","","- C23 H25 N4 O5 S Tc -","- C23 H25 N4 O5 S Tc -","- C184 H200 N32 O40 S8 Tc8 -","8","1","","Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich","Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation.","Inorganic chemistry","2015","54","12","5949","5959","10.1021/acs.inorgchem.5b00769","","","0.71073","MoKα","","0.0963","0.0505","","","0.1109","0.1355","","","","","","0.907","","","","has coordinates,has disorder","288540","2023-12-24","01:16:03",""
"4343087","9.949","0.001","10.98","0.001","16.796","0.002","100.54","0.01","92.32","0.01","113.36","0.01","1642.9","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReOPentaCOOEt]","","","- C30.25 H32 N4 O8.25 Re S -","- C30.25 H32 N4 O8.25 Re S -","- C60.5 H64 N8 O16.5 Re2 S2 -","2","1","","Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich","Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation.","Inorganic chemistry","2015","54","12","5949","5959","10.1021/acs.inorgchem.5b00769","","","0.71073","MoKα","","0.095","0.0668","","","0.1695","0.1949","","","","","","1.068","","","","has coordinates,has disorder","141352","2020-10-21","18:00:00",""
"4343088","14.78549","0.00004","6.79194","0.00003","8.06261","0.00003","90","","90","","90","","809.665","0.005","293","","293","","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- Ca O4 Te -","- Ca O4 Te -","- Ca8 O32 Te8 -","8","2","","Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie","Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs.","Inorganic chemistry","2015","54","12","5660","5670","10.1021/acs.inorgchem.5b00037","powder diffraction","x-ray","1.5406","CuKα1","","0.0375","0.0366","","0.0432","0.043","","","","1.7","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343089","13.3647","0.0006","6.533","0.0003","8.1896","0.0003","90","","90","","90","","715.05","0.05","673","","673","","","","","","","","","3","P 21 c a","P -2ac 2a","29","","","","- Ca O3 Te -","- Ca O3 Te -","- Ca8 O24 Te8 -","8","2","","Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie","Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs.","Inorganic chemistry","2015","54","12","5660","5670","10.1021/acs.inorgchem.5b00037","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0405","0.0405","","0.0473","0.0473","","","","1.13","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343090","14.0725","0.0004","31.2528","0.0009","20.4685","0.0006","90","","107.206","0.002","90","","8599.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C99 H126 O2 Sn2 -","- C99 H126 O2 Sn2 -","- C396 H504 O8 Sn8 -","4","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.0542","0.0437","","","0.0937","0.098","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343091","13.3712","0.0004","17.0316","0.0006","24.0193","0.0008","90","","99.081","0.002","90","","5401.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 Si Sn2 -","- C65 H68 Si Sn2 -","- C260 H272 Si4 Sn8 -","4","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.0458","0.0351","","","0.0799","0.086","","","","","","1.099","","","","has coordinates","154606","2020-10-21","18:00:00",""
"4343092","11.6707","0.0006","14.2909","0.0008","14.86","0.0008","104.587","0.003","90.852","0.003","93.383","0.003","2393.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H58 Sn2 -","- C60 H58 Sn2 -","- C120 H116 Sn4 -","2","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.0255","0.021","","","0.0544","0.0564","","","","","","1.045","","","","has coordinates","154606","2020-10-21","18:00:00",""
"4343093","11.607","0.0004","13.7772","0.0005","21.0867","0.0008","83.638","0.002","76.096","0.001","67.05","0.001","3013.57","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C77 H73 Sn2 -","- C77 H73 Sn2 -","- C154 H146 Sn4 -","2","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.0231","0.0201","","","0.0502","0.0524","","","","","","1.04","","","","has coordinates","154606","2020-10-21","18:00:00",""
"4343094","13.2912","0.0002","17.4961","0.0003","24.3671","0.0004","90","","96.633","0.001","90","","5628.5","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H68 O Sn2 -","- C71 H68 O Sn2 -","- C284 H272 O4 Sn8 -","4","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.05","0.029","","","0.0534","0.0587","","","","","","0.999","","","","has coordinates","154606","2020-10-21","18:00:00",""
"4343095","13.1399","0.0002","15.8569","0.0003","28.5457","0.0006","90","","98.78","0.001","90","","5878.03","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 Sn2 -","- C72 H76 Sn2 -","- C288 H304 Sn8 -","4","1","","Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars","Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.","Inorganic chemistry","2015","54","12","6020","6027","10.1021/acs.inorgchem.5b00896","","","0.71073","MoKα","","0.0338","0.0249","","","0.0526","0.0555","","","","","","1.046","","","","has coordinates","154606","2020-10-21","18:00:00",""
"4343096","11.8793","0.0008","6.9711","0.0004","11.2531","0.0006","90","","90","","90","","931.89","0.1","297","","297","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Di-potassium sodium tri-aluminium dodeca-fluoride","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al12 F48 K8 Na4 -","4","0.5","","Kirik, Sergei D.; Zaitseva, Yulia N.; Leshok, Darya Yu; Samoilo, Alexandr S.; Dubinin, Petr S.; Yakimov, Igor S.; Simakov, Dmitry A.; Gusev, Alexandr O.","NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride.","Inorganic chemistry","2015","54","12","5960","5969","10.1021/acs.inorgchem.5b00772","powder diffraction","","1.54184","CuKα","","","","","","","","","7.2946","1.93","","","","","","","has coordinates","171658","2020-10-21","18:00:00",""
"4343097","19.5931","0.0001","19.5931","0.0001","37.8365","0.0008","90","","90","","90","","14525","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C72 H136 In8 N16 Se38 Sn8 -","- C72 H136 In8 N16 Se38 Sn8 -","- C288 H544 In32 N64 Se152 Sn32 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54184","CuKα","","0.0587","0.0472","","","0.1235","0.1312","","","","","","1.016","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343098","19.6437","0.0002","19.6437","0.0002","37.7046","0.0008","90","","90","","90","","14549.3","0.4","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H136 Cs In9 N16 Se38 Sn7 -","- C72 H136 Cs In9 N16 Se38 Sn7 -","- C288 H544 Cs4 In36 N64 Se152 Sn28 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54178","CuKα","","0.0483","0.0418","","","0.1246","0.1314","","","","","","1.003","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343099","19.6218","0.0003","19.6218","0.0003","37.6897","0.0009","90","","90","","90","","14511.1","0.5","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H136 In9 N16 Rb Se38 Sn7 -","- C72 H136 In9 N16 Rb Se38 Sn7 -","- C288 H544 In36 N64 Rb4 Se152 Sn28 -","4","","","Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying","From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.","Inorganic chemistry","2015","54","12","5874","5878","10.1021/acs.inorgchem.5b00652","","","1.54178","CuKα","","0.0515","0.0423","","","0.1221","0.1305","","","","","","1.007","","","","has coordinates,has disorder","140087","2020-10-21","18:00:00",""
"4343100","10.0493","0.0007","18.5861","0.0013","19.4484","0.0013","101.466","0.002","104.309","0.002","103.074","0.002","3301.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35 Cl4 Co N8 -","- C34 H35 Cl4 Co N8 -","- C136 H140 Cl16 Co4 N32 -","4","2","","Puttock, Emma V.; Banerjee, Priyabrata; Kaspar, Manuel; Drennen, Liam; Yufit, Dmitry S.; Bill, Eckhard; Sproules, Stephen; Hess, Corinna R.","A Series of [Co(Mabiq)Cl2-n] (n = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form.","Inorganic chemistry","2015","54","12","5864","5873","10.1021/acs.inorgchem.5b00636","","x-ray","0.71073","MoKα","","0.0607","0.0393","","","0.0936","0.1024","","","","","","1.027","","","","has coordinates,has disorder","140089","2020-10-21","18:00:00",""
"4343101","11.6266","0.0008","21.9485","0.0015","15.0135","0.001","90","","108.541","0.002","90","","3632.4","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Cl5 Co N8 -","- C35 H37 Cl5 Co N8 -","- C140 H148 Cl20 Co4 N32 -","4","1","","Puttock, Emma V.; Banerjee, Priyabrata; Kaspar, Manuel; Drennen, Liam; Yufit, Dmitry S.; Bill, Eckhard; Sproules, Stephen; Hess, Corinna R.","A Series of [Co(Mabiq)Cl2-n] (n = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form.","Inorganic chemistry","2015","54","12","5864","5873","10.1021/acs.inorgchem.5b00636","","x-ray","0.71073","MoKα","","0.075","0.0501","","","0.1288","0.1434","","","","","","1.011","","","","has coordinates","140089","2020-10-21","18:00:00",""
"4343102","10.199","0.003","20.351","0.006","26.781","0.008","90","","90","","90","","5559","3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Co N8 -","- C33 H33 Co N8 -","- C264 H264 Co8 N64 -","8","1","","Puttock, Emma V.; Banerjee, Priyabrata; Kaspar, Manuel; Drennen, Liam; Yufit, Dmitry S.; Bill, Eckhard; Sproules, Stephen; Hess, Corinna R.","A Series of [Co(Mabiq)Cl2-n] (n = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form.","Inorganic chemistry","2015","54","12","5864","5873","10.1021/acs.inorgchem.5b00636","","x-ray","0.6889","synchrotron","","0.0743","0.0484","","","0.1132","0.1267","","","","","","1.054","","","","has coordinates","140089","2020-10-21","18:00:00",""
"4343103","27.009","0.005","27.449","0.006","44.478","0.009","91.33","0.03","106.35","0.03","118.99","0.03","27171","15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C286 H240 F12 N12 O24 P12 Pt6 S4 -","- C286 H240 F12 N12 O24 P12 Pt6 S4 -","- C572 H480 F24 N24 O48 P24 Pt12 S8 -","2","1","","Bonakdarzadeh, Pia; Topić, Filip; Kalenius, Elina; Bhowmik, Sandip; Sato, Sota; Groessl, Michael; Knochenmuss, Richard; Rissanen, Kari","DOSY NMR, X-ray Structural and Ion-Mobility Mass Spectrometric Studies on Electron-Deficient and Electron-Rich M6L4 Coordination Cages.","Inorganic chemistry","2015","54","12","6055","6061","10.1021/acs.inorgchem.5b01082","","x-ray","0.96","","","0.0813","0.0649","","","0.196","0.2107","","","","","","0.957","","","","has coordinates","140095","2020-10-21","18:00:00",""
"4343104","27.774","0.006","30.851","0.006","33.238","0.007","82.93","0.03","74.48","0.03","75.43","0.03","26512","11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C270 H204 F12 N12 P12 Pt6 -","- C270 H204 F12 N12 P12 Pt6 -","- C540 H408 F24 N24 P24 Pt12 -","2","1","","Bonakdarzadeh, Pia; Topić, Filip; Kalenius, Elina; Bhowmik, Sandip; Sato, Sota; Groessl, Michael; Knochenmuss, Richard; Rissanen, Kari","DOSY NMR, X-ray Structural and Ion-Mobility Mass Spectrometric Studies on Electron-Deficient and Electron-Rich M6L4 Coordination Cages.","Inorganic chemistry","2015","54","12","6055","6061","10.1021/acs.inorgchem.5b01082","","x-ray","0.96","","","0.0802","0.0686","","","0.2368","0.2503","","","","","","1.064","","","","has coordinates","140095","2020-10-21","18:00:00",""
"4343105","13.558","0.0001","20.4595","0.0002","33.6987","0.0002","90","","98.9012","0.0007","90","","9235.1","0.13","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H12.5 Cl1.5 F3 N3 -","- C27.5 H12.5 Cl1.5 F3 N3 -","- C440 H200 Cl24 F48 N48 -","16","4","","Bonakdarzadeh, Pia; Topić, Filip; Kalenius, Elina; Bhowmik, Sandip; Sato, Sota; Groessl, Michael; Knochenmuss, Richard; Rissanen, Kari","DOSY NMR, X-ray Structural and Ion-Mobility Mass Spectrometric Studies on Electron-Deficient and Electron-Rich M6L4 Coordination Cages.","Inorganic chemistry","2015","54","12","6055","6061","10.1021/acs.inorgchem.5b01082","","","1.54184","CuKα","","0.042","0.0357","","","0.0951","0.1001","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4343106","12.3161","0.0013","27.969","0.003","14.5941","0.0017","90","","113.289","0.002","90","","4617.6","0.9","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 F16 Ir N4 P S2 -","- C40 H38 F16 Ir N4 P S2 -","- C160 H152 F64 Ir4 N16 P4 S8 -","4","1","","Shavaleev, Nail M.; Xie, Guohua; Varghese, Shinto; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortí, Enrique; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Green Phosphorescence and Electroluminescence of Sulfur Pentafluoride-Functionalized Cationic Iridium(III) Complexes.","Inorganic chemistry","2015","54","12","5907","5914","10.1021/acs.inorgchem.5b00717","","","0.71075","MoKα","","0.042","0.0366","","","0.1155","0.1172","","","","","","1.05","","","","has coordinates","140097","2020-10-21","18:00:00",""
"4343107","15.0706","0.0014","19.1861","0.0013","17.4644","0.0016","90","","102.629","0.002","90","","4927.6","0.7","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl4 F16 Ir N6 P S2 -","- C38 H40 Cl4 F16 Ir N6 P S2 -","- C152 H160 Cl16 F64 Ir4 N24 P4 S8 -","4","1","","Shavaleev, Nail M.; Xie, Guohua; Varghese, Shinto; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortí, Enrique; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Green Phosphorescence and Electroluminescence of Sulfur Pentafluoride-Functionalized Cationic Iridium(III) Complexes.","Inorganic chemistry","2015","54","12","5907","5914","10.1021/acs.inorgchem.5b00717","","","0.71075","MoKα","","0.0422","0.0342","","","0.091","0.0947","","","","","","1.056","","","","has coordinates","140097","2020-10-21","18:00:00",""
"4343108","14.897","0.0017","20.805","0.003","15.1906","0.0019","90","","92.068","0.003","90","","4705","1","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl4 F16 Ir N6 P S2 -","- C38 H40 Cl4 F16 Ir N6 P S2 -","- C152 H160 Cl16 F64 Ir4 N24 P4 S8 -","4","1","","Shavaleev, Nail M.; Xie, Guohua; Varghese, Shinto; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Ortí, Enrique; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Green Phosphorescence and Electroluminescence of Sulfur Pentafluoride-Functionalized Cationic Iridium(III) Complexes.","Inorganic chemistry","2015","54","12","5907","5914","10.1021/acs.inorgchem.5b00717","","","0.71075","MoKα","","0.0275","0.0253","","","0.06","0.0605","","","","","","0.963","","","","has coordinates","140097","2020-10-21","18:00:00",""
"4343109","11.8628","0.0002","14.6264","0.0003","16.9232","0.0003","77.783","0.001","79.805","0.001","79.722","0.001","2794.04","0.09","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H62.8 N4 Ni4 O12.9 -","- C60.5 H60 N4 Ni4 O12.9 -","- C121 H120 N8 Ni8 O25.8 -","2","1","","Alexopoulou, Konstantina I.; Terzis, Aris; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Ni(II)20 ""Bowls"" from the Use of Tridentate Schiff Bases.","Inorganic chemistry","2015","54","12","5615","5617","10.1021/acs.inorgchem.5b00521","","","1.54178","CuKα","","0.036","0.0335","","","0.0855","0.0871","","","","","","1.032","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343110","43.3289","0.0007","43.3289","0.0007","15.9207","0.0002","90","","90","","90","","29889.4","0.8","160","2","160","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C244 H315.6 N12 Ni20 O79.8 -","- C244 H220 N12 Ni20 O79.8 -","- C976 H880 N48 Ni80 O319.2 -","4","0.25","","Alexopoulou, Konstantina I.; Terzis, Aris; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Ni(II)20 ""Bowls"" from the Use of Tridentate Schiff Bases.","Inorganic chemistry","2015","54","12","5615","5617","10.1021/acs.inorgchem.5b00521","","","1.54178","CuKα","","0.0771","0.0653","","","0.1854","0.1966","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343111","9.4256","0.0006","30.342","0.019","16.672","0.003","90","","100.734","0.008","90","","4685","3","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H67 Cl N2 Ni O3 Si2 -","- C40.5 H67 Cl N2 Ni O3 Si2 -","- C162 H268 Cl4 N8 Ni4 O12 Si8 -","4","1","","Cazacu, Maria; Shova, Sergiu; Soroceanu, Alina; Machata, Peter; Bucinsky, Lukas; Breza, Martin; Rapta, Peter; Telser, Joshua; Krzystek, J.; Arion, Vladimir B.","Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations.","Inorganic chemistry","2015","54","12","5691","5706","10.1021/acs.inorgchem.5b00229","","","0.71073","MoKα","","0.1079","0.0689","","","0.1663","0.1837","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343112","14.2195","0.0012","19.482","0.003","17.222","0.002","90","","110.435","0.012","90","","4470.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 Cu N2 O3 Si2 -","- C40 H66 Cu N2 O3 Si2 -","- C160 H264 Cu4 N8 O12 Si8 -","4","1","","Cazacu, Maria; Shova, Sergiu; Soroceanu, Alina; Machata, Peter; Bucinsky, Lukas; Breza, Martin; Rapta, Peter; Telser, Joshua; Krzystek, J.; Arion, Vladimir B.","Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations.","Inorganic chemistry","2015","54","12","5691","5706","10.1021/acs.inorgchem.5b00229","","","0.71073","MoKα","","0.1184","0.0666","","","0.1564","0.1795","","","","","","1.054","","","","has coordinates,has disorder","140099","2020-10-21","18:00:00",""
"4343113","15.3998","0.0013","21.477","0.002","22.0129","0.0018","109.04","0.008","95.545","0.007","98.303","0.007","6729.2","1.1","200.05","0.1","200.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H69.3 Mn N2 O5.15 Si2 -","- C42 H69.3 Mn N2 O5.15 Si2 -","- C252 H415.8 Mn6 N12 O30.9 Si12 -","6","3","","Cazacu, Maria; Shova, Sergiu; Soroceanu, Alina; Machata, Peter; Bucinsky, Lukas; Breza, Martin; Rapta, Peter; Telser, Joshua; Krzystek, J.; Arion, Vladimir B.","Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations.","Inorganic chemistry","2015","54","12","5691","5706","10.1021/acs.inorgchem.5b00229","","","0.71073","MoKα","","0.2157","0.0985","","","0.2195","0.276","","","","","","0.979","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343114","11.993","0.002","19.632","0.004","18.143","0.004","90","","102.06","0.03","90","","4177.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Mg2 N4 O17 -","- C36 H42 Mg2 N4 O17 -","- C144 H168 Mg8 N16 O68 -","4","0.5","","Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.","Inorganic chemistry","2015","54","12","5813","5826","10.1021/acs.inorgchem.5b00539","","","0.71073","MoKα","","0.099","0.0692","","","0.1582","0.1716","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343115","11.413","0.002","29.479","0.006","12.376","0.003","90","","94.95","0.03","90","","4148.3","1.5","293","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Cl Mg2 N5 O14 -","- C32 H51 Cl Mg2 N5 O14 -","- C128 H204 Cl4 Mg8 N20 O56 -","4","1","","Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.","Inorganic chemistry","2015","54","12","5813","5826","10.1021/acs.inorgchem.5b00539","","","0.71073","MoKα","","0.1495","0.0964","","","0.2683","0.3042","","","","","","1.131","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343116","18.659","0.004","11.251","0.002","10.015","0.002","90","","114.12","0.03","90","","1918.9","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Ca N2 O8 -","- C16 H22 Ca N2 O8 -","- C64 H88 Ca4 N8 O32 -","4","0.5","","Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.","Inorganic chemistry","2015","54","12","5813","5826","10.1021/acs.inorgchem.5b00539","","","0.71073","MoKα","","0.0596","0.0397","","","0.12","0.142","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343117","11.439","0.005","11.966","0.005","12.113","0.005","101.036","0.005","106.89","0.005","107.95","0.005","1435.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N6 O25 Sr3 -","- C48 H68 N6 O25 Sr3 -","- C48 H68 N6 O25 Sr3 -","1","0.5","","Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.","Inorganic chemistry","2015","54","12","5813","5826","10.1021/acs.inorgchem.5b00539","","","0.71073","MoKα","","0.072","0.0368","","","0.1102","0.1352","","","","","","1.154","","","","has coordinates","140101","2020-10-21","18:00:00",""
"4343118","28.11","0.002","11.6839","0.0009","8.6676","0.0006","90","","98.795","0.002","90","","2813.3","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Ba N O7 -","- C12 H13 Ba N O7 -","- C96 H104 Ba8 N8 O56 -","8","1","","Douvali, Antigoni; Papaefstathiou, Giannis S.; Gullo, Maria Pia; Barbieri, Andrea; Tsipis, Athanassios C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Papadas, Ioannis; Armatas, Gerasimos S.; Hatzidimitriou, Antonios G.; Lazarides, Theodore; Manos, Manolis J.","Alkaline Earth Metal Ion/Dihydroxy-Terephthalate MOFs: Structural Diversity and Unusual Luminescent Properties.","Inorganic chemistry","2015","54","12","5813","5826","10.1021/acs.inorgchem.5b00539","","","0.71073","MoKα","","0.0424","0.0281","","","0.0635","0.0782","","","","","","1.207","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343119","17.6229","0.0009","18.9489","0.0009","19.4315","0.001","90","","90","","90","","6488.8","0.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Cr2 Dy2 F36 N2 O18 -","- C42 H34 Cr2 Dy2 F36 N2 O18 -","- C168 H136 Cr8 Dy8 F144 N8 O72 -","4","0.5","","Langley, Stuart K.; Le, Crystal; Ungur, Liviu; Moubaraki, Boujemaa; Abrahams, Brendan F.; Chibotaru, Liviu F.; Murray, Keith S.","Heterometallic 3d-4f single-molecule magnets: ligand and metal ion influences on the magnetic relaxation.","Inorganic chemistry","2015","54","7","3631","3642","10.1021/acs.inorgchem.5b00219","","","0.71073","MoKα","","0.0671","0.0387","","","0.0784","0.0916","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343120","12.497","0.0002","6.14295","0.0001","18.5883","0.0003","90","","90","","90","","1426.99","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2TiUTe7","","","- Ba2 Te7 Ti U -","- Ba2 Te7 Ti U -","- Ba8 Te28 Ti4 U4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0248","0.0192","","","0.0414","0.0426","","","","","","1.237","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343121","12.4711","0.0003","6.1653","0.0001","18.5645","0.0004","90","","90","","90","","1427.39","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2UCrTe7","","","- Ba2 Cr Te7 U -","- Ba2 Cr Te7 U -","- Ba8 Cr4 Te28 U4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0229","0.0187","","","0.0416","0.043","","","","","","1.069","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343122","12.5766","0.0002","6.2297","0.0001","18.7183","0.0004","90","","90","","90","","1466.55","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Ba2ThCrTe7","","","- Ba2 Cr Te7 Th -","- Ba2 Cr Te7 Th -","- Ba8 Cr4 Te28 Th4 -","4","0.5","","Prakash, Jai; Mesbah, Adel; Beard, Jessica; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Three New Quaternary Actinide Chalcogenides Ba2TiUTe7, Ba2CrUTe7, and Ba2CrThTe7: Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies.","Inorganic chemistry","2015","54","7","3688","3694","10.1021/acs.inorgchem.5b00338","","","0.71073","MoKα","","0.0212","0.0164","","","0.0267","0.0275","","","","","","1.288","","","","has coordinates","137913","2020-10-21","18:00:00",""
"4343123","13.3655","0.0003","14.7033","0.0003","26.6592","0.0008","90","","90","","90","","5239","0.2","170","2","170.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H63 N9 O4 U -","- C55 H63 N9 O4 U -","- C220 H252 N36 O16 U4 -","4","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Lord, Rianne M.; Jones, Guy M.; Hollis, Emmalina; Nichol, Gary S.; Maron, Laurent; Fang, Jian; Davin, Thomas; Love, Jason B.","Control of oxo-group functionalization and reduction of the uranyl ion.","Inorganic chemistry","2015","54","7","3702","3710","10.1021/acs.inorgchem.5b00420","","x-ray","0.71073","MoKα","","0.0709","0.0517","","","0.0733","0.0791","","","","","","1.04","","","","has coordinates","137914","2020-10-21","18:00:00",""
"4343124","23.3919","0.0006","23.3919","0.0006","61.397","0.0019","90","","90","","120","","29094.4","1.4","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C286 H360 Cl4 Dy4 N8 Na4 Ni24 O72 S24 -","- C285.84 H299.76 Cl4.02 Dy3.98 N12 Ni24 O67.94 S24 -","- C571.68 H599.52 Cl8.04 Dy7.96 N24 Ni48 O135.88 S48 -","2","0.166667","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun","Stepwise construction of extra-large heterometallic calixarene-based cages.","Inorganic chemistry","2015","54","7","3183","3188","10.1021/ic502677g","","","1.54184","CuKα","","0.1296","0.0866","","","0.2288","0.2526","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343125","23.5399","0.0002","23.5399","0.0002","65.794","0.0004","90","","90","","120","","31573.7","0.4","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C298 H366 Cl4 Dy4 N8 Na4 Ni24 O72 S24 -","- C297.84 H287.76 Cl3.96 Dy3.98 N12 Ni24 O67.94 S24 -","- C595.68 H575.52 Cl7.92 Dy7.96 N24 Ni48 O135.88 S48 -","2","0.166667","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun","Stepwise construction of extra-large heterometallic calixarene-based cages.","Inorganic chemistry","2015","54","7","3183","3188","10.1021/ic502677g","","","1.54184","CuKα","","0.1046","0.088","","","0.2445","0.2571","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343126","23.4172","0.0001","23.4172","0.0001","70.1696","0.0003","90","","90","","120","","33323.4","0.2","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C304 H366 Cl4 Dy4 N8 Na4 Ni24 O74 S24 -","- C303.84 H299.88 Cl3.96 Dy3.98 N12 Ni24 O69.92 S24 -","- C607.68 H599.76 Cl7.92 Dy7.96 N24 Ni48 O139.84 S48 -","2","0.166667","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun","Stepwise construction of extra-large heterometallic calixarene-based cages.","Inorganic chemistry","2015","54","7","3183","3188","10.1021/ic502677g","","","1.54184","CuKα","","0.0839","0.0766","","","0.2157","0.2235","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343127","23.3568","0.0002","23.3568","0.0002","69.7927","0.0006","90","","90","","120","","32973.7","0.5","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C298 H366 Cl4 Dy4 N14 Na4 Ni24 O72 S24 -","- C297.84 H275.88 Cl3.96 Dy3.98 N18 Ni24 O67.94 S24 -","- C595.68 H551.76 Cl7.92 Dy7.96 N36 Ni48 O135.88 S48 -","2","0.166667","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun","Stepwise construction of extra-large heterometallic calixarene-based cages.","Inorganic chemistry","2015","54","7","3183","3188","10.1021/ic502677g","","","1.54184","CuKα","","0.0953","0.0881","","","0.2328","0.2388","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343128","23.3815","0.0002","23.3815","0.0002","61.3635","0.0007","90","","90","","120","","29052.6","0.5","100","2","100","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C286 H360 Cl4 N8 Na4 Ni24 O72 S24 Tb4 -","- C285.84 H258 Cl3.96 N12 Ni24 O67.94 S24 Tb3.98 -","- C571.68 H516 Cl7.92 N24 Ni48 O135.88 S48 Tb7.96 -","2","0.166667","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun","Stepwise construction of extra-large heterometallic calixarene-based cages.","Inorganic chemistry","2015","54","7","3183","3188","10.1021/ic502677g","","","1.54184","CuKα","","0.1024","0.0825","","","0.2304","0.2458","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343129","8.380858","0.000015","8.380858","0.000015","8.380858","0.000015","90","","90","","90","","588.661","0.0018","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_quenched_900C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li1.0001 Mn O4 Ti0.999 -","- Li8.0008 Mn8 O32 Ti7.992 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0348","0.0343","","0.067","0.067","","","","2.14","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343130","8.380858","0.000015","8.380858","0.000015","8.380858","0.000015","90","","90","","90","","588.661","0.0018","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_quenched_900C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li1.0001 Mn O4 Ti0.999 -","- Li8.0008 Mn8 O32 Ti7.992 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","x-ray","0.82657","synchrotron_X-ray","","0.0348","0.0343","","0.067","0.067","","","","2.14","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343131","8.38728","0.00003","8.38728","0.00003","8.38728","0.00003","90","","90","","90","","590.016","0.004","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_quenched_950C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li1.0001 Mn1.0001 O4 Ti -","- Li8.0008 Mn8.0008 O32 Ti8 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0592","0.0591","","0.0896","0.0896","","","","4.58","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343132","8.3405","0.0006","8.3405","0.0006","8.3405","0.0006","90","","90","","90","","580.2","0.07","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_slowcooled_950C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn O4 Ti -","- Li8 Mn8 O32 Ti8 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0517","0.0517","","0.0853","0.0853","","","","2.72","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343133","8.4077","0.0006","8.4077","0.0006","8.4077","0.0006","90","","90","","90","","594.34","0.07","293","","293","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Lithium_manganese_titanate_slowcooled_950C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn1.003 O4 Ti0.9995 -","- Li8 Mn8.024 O32 Ti7.996 -","8","0.333333","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0952","0.0952","","0.1095","0.1095","","","","2.72","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343134","8.35635","0.00009","8.35635","0.00009","8.35635","0.00009","90","","90","","90","","583.512","0.011","30","","30","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_slowcooled_900C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn O4 Ti -","- Li8 Mn8 O32 Ti8 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","x-ray","0.82657","synchrotron_X-ray","","0.0905","0.0905","","0.133","0.133","","","","7.69","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343135","8.4096","","8.4096","","8.4096","","90","","90","","90","","594.738","","30","","30","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","Lithium_manganese_titanate_slowcooled_900C","Lithium_manganese_titanate","","- Li Mn O4 Ti -","- Li Mn1.0026 O4 Ti0.9992 -","- Li8 Mn8.0208 O32 Ti7.9936 -","8","0.333333","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","x-ray","0.82657","synchrotron_X-ray","","0.0905","0.0905","","0.133","0.133","","","","7.69","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343136","8.380853","0.000015","8.380853","0.000015","8.380853","0.000015","90","","90","","90","","588.66","0.0018","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_quenched_900C_O-Vacancy","","","- Li Mn O3.92 Ti -","- Li1.0001 Mn1.001 O3.92 Ti -","- Li8.0008 Mn8.008 O31.36 Ti8 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","neutron","1.622","neutron","","0.0325","0.0319","","0.0669","0.0669","","","","2.13","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343137","8.380853","0.000015","8.380853","0.000015","8.380853","0.000015","90","","90","","90","","588.66","0.0018","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Lithium_manganese_titanate_quenched_900C_O-Vacancy","","","- Li Mn O3.92 Ti -","- Li1.0001 Mn1.001 O3.92 Ti -","- Li8.0008 Mn8.008 O31.36 Ti8 -","8","0.0416667","","Murphy, Denissa T.; Schmid, Siegbert; Hester, James R.; Blanchard, Peter E. R.; Miiller, Wojciech","Coordination Site Disorder in Spinel-Type LiMnTiO4.","Inorganic chemistry","2015","54","10","4636","4643","10.1021/ic502747p","powder diffraction","x-ray","0.82657","synchrotron_X-ray","","0.0325","0.0319","","0.0669","0.0669","","","","2.13","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343138","9.5799","0.0006","25.5491","0.0016","11.7334","0.0007","90","","91.3629","0.0013","90","","2871","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl2 F6 N8 Pt -","- C30 H16 Cl2 F6 N8 Pt -","- C120 H64 Cl8 F24 N32 Pt4 -","4","1","","Liao, Kuan-Yu; Hsu, Che-Wei; Chi, Yun; Hsu, Ming-Kuan; Wu, Szu-Wei; Chang, Chih-Hao; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Hu, Yue; Robertson, Neil","Pt(II) Metal Complexes Tailored with a Newly Designed Spiro-Arranged Tetradentate Ligand; Harnessing of Charge-Transfer Phosphorescence and Fabrication of Sky Blue and White OLEDs.","Inorganic chemistry","2015","54","8","4029","4038","10.1021/acs.inorgchem.5b00281","","","0.71073","MoKα","","0.0491","0.0385","","","0.0856","0.0968","","","","","","1.172","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343139","11.2393","0.0005","21.056","0.0011","16.0806","0.0008","90","","92.101","0.001","90","","3803","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl2 F6 N6 Pt -","- C40 H34 Cl2 F6 N6 Pt -","- C160 H136 Cl8 F24 N24 Pt4 -","4","1","","Liao, Kuan-Yu; Hsu, Che-Wei; Chi, Yun; Hsu, Ming-Kuan; Wu, Szu-Wei; Chang, Chih-Hao; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Hu, Yue; Robertson, Neil","Pt(II) Metal Complexes Tailored with a Newly Designed Spiro-Arranged Tetradentate Ligand; Harnessing of Charge-Transfer Phosphorescence and Fabrication of Sky Blue and White OLEDs.","Inorganic chemistry","2015","54","8","4029","4038","10.1021/acs.inorgchem.5b00281","","","0.71073","MoKα","","0.0461","0.0366","","","0.0753","0.0791","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343140","14.5851","0.0005","25.764","0.0009","26.9502","0.0009","90","","90","","90","","10127.1","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H55 Cl2 F6 N7 O2 Pt -","- C52 H55 Cl2 F6 N7 O2 Pt -","- C416 H440 Cl16 F48 N56 O16 Pt8 -","8","1","","Liao, Kuan-Yu; Hsu, Che-Wei; Chi, Yun; Hsu, Ming-Kuan; Wu, Szu-Wei; Chang, Chih-Hao; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Hu, Yue; Robertson, Neil","Pt(II) Metal Complexes Tailored with a Newly Designed Spiro-Arranged Tetradentate Ligand; Harnessing of Charge-Transfer Phosphorescence and Fabrication of Sky Blue and White OLEDs.","Inorganic chemistry","2015","54","8","4029","4038","10.1021/acs.inorgchem.5b00281","","","0.71073","MoKα","","0.0807","0.0504","","","0.1135","0.1295","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343141","5.42221","0.00007","5.42221","0.00007","5.42221","0.00007","90","","90","","90","","159.415","0.004","295","","295","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cerium samarium mixed oxide","","","- Ce0.9 O1.95 Sm0.1 -","- Ce0.9 O2 Sm0.1 -","- Ce3.6 O8 Sm0.4 -","4","0.0208333","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","10.1919","1.72","","","","","","","has coordinates","137918","2020-10-21","18:00:00",""
"4343142","5.43346","0.00009","5.43346","0.00009","5.43346","0.00009","90","","90","","90","","160.409","0.005","295","","295","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cerium samarium mixed oxide","","","- Ce0.8 O1.9 Sm0.2 -","- Ce0.8 O1.88 Sm0.2 -","- Ce3.2 O7.52 Sm0.8 -","4","0.0208333","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","4.3813","1.34","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343143","10.88937","0.00007","10.88937","0.00007","10.88937","0.00007","90","","90","","90","","1291.24","0.014","295","","295","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.7 O1.85 Sm0.3 -","- Ce0.7 O1.96329 Sm0.3 -","- Ce22.4 O62.8253 Sm9.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","2.7065","1.45","","","","","","","has coordinates","137918","2020-10-21","18:00:00",""
"4343144","10.89875","0.00006","10.89875","0.00006","10.89875","0.00006","90","","90","","90","","1294.58","0.012","298","","295","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.6 O1.8 Sm0.4 -","- Ce0.6 O1.88175 Sm0.4 -","- Ce19.2 O60.216 Sm12.8 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","3.6655","1.57","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343145","10.91198","0.00006","10.91198","0.00006","10.91198","0.00006","90","","90","","90","","1299.3","0.012","295","","295","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.5 O1.75 Sm0.5 -","- Ce0.5 O1.855 Sm0.5 -","- Ce16 O59.36 Sm16 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","8.7646","1.87","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343146","10.91514","0.00011","10.91514","0.00011","10.91514","0.00011","90","","90","","90","","1300.43","0.02","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.4 O1.7 Sm0.6 -","- Ce0.4 O1.7565 Sm0.6 -","- Ce12.8 O56.208 Sm19.2 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.7315","1.36","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343147","10.92623","0.00007","10.92623","0.00007","10.92623","0.00007","90","","90","","90","","1304.4","0.014","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.3 O1.65 Sm0.7 -","- Ce0.3 O1.71046 Sm0.7 -","- Ce9.6 O54.7349 Sm22.4 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","4.6119","1.41","","","","","","","has coordinates","137918","2020-10-21","18:00:00",""
"4343148","10.92917","0.00008","10.92917","0.00008","10.92917","0.00008","90","","90","","90","","1305.45","0.017","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.2 O1.6 Sm0.8 -","- Ce0.2 O1.68152 Sm0.8 -","- Ce6.4 O53.8085 Sm25.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.3179","1.53","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343149","10.9305","0.00013","10.9305","0.00013","10.9305","0.00013","90","","90","","90","","1305.93","0.03","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.1 O1.55 Sm0.9 -","- Ce0.1 O1.655 Sm0.9 -","- Ce3.2 O52.96 Sm28.8 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","4.4572","1.39","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343150","5.42513","0.00005","5.42513","0.00005","5.42513","0.00005","90","","90","","90","","159.673","0.003","295","","295","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cerium samarium mixed oxide","","","- Ce0.9 O1.95 Sm0.1 -","- Ce0.9 O1.982 Sm0.1 -","- Ce3.6 O7.928 Sm0.4 -","4","0.0208333","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","3.3319","1.68","","","","","","","has coordinates","137918","2020-10-21","18:00:00",""
"4343151","5.43285","0.00004","5.43285","0.00004","5.43285","0.00004","90","","90","","90","","160.355","0.002","295","","295","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cerium samarium mixed oxide","","","- Ce0.8 O1.9 Sm0.2 -","- Ce0.8 O1.844 Sm0.2 -","- Ce3.2 O7.376 Sm0.8 -","4","0.0208333","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","4.199","1.33","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343152","10.89286","0.00011","10.89286","0.00011","10.89286","0.00011","90","","90","","90","","1292.49","0.02","295","","295","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.7 O1.85 Sm0.3 -","- Ce0.7 O1.99 Sm0.3 -","- Ce22.4 O63.68 Sm9.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74963","","","","","","","","","","2.4967","1.77","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343153","10.90056","0.00005","10.90056","0.00005","10.90056","0.00005","90","","90","","90","","1295.23","0.01","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.6 O1.8 Sm0.4 -","- Ce0.6 O1.85777 Sm0.4 -","- Ce19.2 O59.4485 Sm12.8 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","4.4735","1.36","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343154","10.91683","0.00011","10.91683","0.00011","10.91683","0.00011","90","","90","","90","","1301.04","0.02","295","","295","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.5 O1.75 Sm0.5 -","- Ce0.5 O1.81 Sm0.5 -","- Ce16 O57.92 Sm16 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74963","","","","","","","","","","4.1364","1.46","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343155","10.9195","0.0002","10.9195","0.0002","10.9195","0.0002","90","","90","","90","","1301.99","0.04","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.4 O1.7 Sm0.6 -","- Ce0.4 O1.759 Sm0.6 -","- Ce12.8 O56.288 Sm19.2 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.2755","1.28","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343156","10.92913","0.00008","10.92913","0.00008","10.92913","0.00008","90","","90","","90","","1305.44","0.017","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.3 O1.65 Sm0.7 -","- Ce0.3 O1.65545 Sm0.7 -","- Ce9.6 O52.9742 Sm22.4 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.0052","1.28","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343157","10.93412","0.00005","10.93412","0.00005","10.93412","0.00005","90","","90","","90","","1307.23","0.01","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.2 O1.6 Sm0.8 -","- Ce0.2 O1.6415 Sm0.8 -","- Ce6.4 O52.528 Sm25.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.6079","1.92","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343158","10.9328","0.0004","10.9328","0.0004","10.9328","0.0004","90","","90","","90","","1306.76","0.08","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.1 O1.55 Sm0.9 -","- Ce0.1 O1.53 Sm0.9 -","- Ce3.2 O48.96 Sm28.8 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","5.4643","1.26","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343159","10.93179","0.00005","10.93179","0.00005","10.93179","0.00005","90","","90","","90","","1306.39","0.01","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.2 O1.6 Sm0.8 -","- Ce0.2 O1.67 Sm0.8 -","- Ce6.4 O53.44 Sm25.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74963","","","","","","","","","","2.6945","1.35","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343160","10.9345","0.0003","10.9345","0.0003","10.9345","0.0003","90","","90","","90","","1307.36","0.06","298","","298","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Cerium samarium mixed oxide","","","- Ce0.1 O1.55 Sm0.9 -","- Ce0.1 O1.6385 Sm0.9 -","- Ce3.2 O52.432 Sm28.8 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74963","","","","","","","","","","5.0928","1.25","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343161","5.40972","0.00011","5.40972","0.00011","5.40972","0.00011","90","","90","","90","","158.316","0.006","295","","295","","","","","","","","","2","F m -3 m","-F 4 2 3","225","Cerium dioxide","","","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","0.0208333","","Artini, Cristina; Pani, Marcella; Carnasciali, Maria Maddalena; Buscaglia, Maria Teresa; Plaisier, Jasper Rikkert; Costa, Giorgio Andrea","Structural Features of Sm- and Gd-Doped Ceria Studied by Synchrotron X-ray Diffraction and μ-Raman Spectroscopy.","Inorganic chemistry","2015","54","8","4126","4137","10.1021/acs.inorgchem.5b00395","powder diffraction","","0.74923","","","","","","","","","","2.7157","1.29","","","","","","","has coordinates","137918","2020-10-21","18:00:00",""
"4343162","16.2403","0.0004","22.511","0.0005","13.1895","0.0003","90","","93.389","0.001","90","","4813.46","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 B9 I P -","- C20 H25 B9 I P -","- C160 H200 B72 I8 P8 -","8","2","","Kabytaev, Kuanysh Z.; Safronov, Alexander V.; Sevryugina, Yulia V.; Barnes, Charles L.; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Novel Synthetic Approach to Charge-Compensated Phosphonio-nido-Carboranes. Synthesis and Structural Characterization of Neutral Mono and Bis(Phosphonio) nido-ortho-Carboranes.","Inorganic chemistry","2015","54","8","4143","4150","10.1021/acs.inorgchem.5b00414","","","1.54178","CuKα","","0.0359","0.0348","","","0.0921","0.0929","","","","","","1.053","","","","has coordinates,has disorder","137919","2020-10-21","18:00:00",""
"4343163","9.7892","0.0003","9.9725","0.0002","12.157","0.0003","71.255","0.001","87.318","0.001","74.627","0.001","1082.68","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-Triphenylphosphonio-7,8-dicarba-nido-undecaborane","","- C20 H26 B9 P -","- C20 H26 B9 P -","- C40 H52 B18 P2 -","2","1","","Kabytaev, Kuanysh Z.; Safronov, Alexander V.; Sevryugina, Yulia V.; Barnes, Charles L.; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Novel Synthetic Approach to Charge-Compensated Phosphonio-nido-Carboranes. Synthesis and Structural Characterization of Neutral Mono and Bis(Phosphonio) nido-ortho-Carboranes.","Inorganic chemistry","2015","54","8","4143","4150","10.1021/acs.inorgchem.5b00414","","","1.54178","Cu-Kα","","0.0362","0.0358","","","0.096","0.0964","","","","","","1.054","","","","has coordinates","137920","2020-10-21","18:00:00",""
"4343164","9.7556","0.0004","25.5594","0.0009","15.4202","0.0006","90","","95.005","0.002","90","","3830.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 B9 I P2 -","- C38 H38 B9 I P2 -","- C152 H152 B36 I4 P8 -","4","1","","Kabytaev, Kuanysh Z.; Safronov, Alexander V.; Sevryugina, Yulia V.; Barnes, Charles L.; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Novel Synthetic Approach to Charge-Compensated Phosphonio-nido-Carboranes. Synthesis and Structural Characterization of Neutral Mono and Bis(Phosphonio) nido-ortho-Carboranes.","Inorganic chemistry","2015","54","8","4143","4150","10.1021/acs.inorgchem.5b00414","","","1.54178","CuKα","","0.0911","0.0727","","","0.1467","0.1496","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343165","17.655","0.007","21.733","0.008","5.626","0.002","90","","90","","90","","2158.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H21 N4 O6.5 Zn -","- C18 H21 N4 O6.5 Zn -","- C72 H84 N16 O26 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.0502","0.0446","","","0.1364","0.1427","","","","","","1.084","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343166","5.2954","0.0006","21.7207","0.0018","18.731","0.002","90","","97.633","0.008","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 N3 O5 Zn -","- C24 H21 N3 O5 Zn -","- C96 H84 N12 O20 Zn4 -","4","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.1493","0.0711","","","0.089","0.1149","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343167","5.737","0.004","9.22","0.006","11.957","0.008","79.343","0.016","85.956","0.013","88.69","0.019","620","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H27 N3 O8 S Zn -","- C24 H27 N3 O8 S Zn -","- C24 H27 N3 O8 S Zn -","1","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Wang, Yong; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Wu, Xintao","From Pair Quadruple- to Single-Stranded Helices to Lines in a Mixed Ligand System via Adjusting the N-Substituent of l-Glu.","Inorganic chemistry","2015","54","8","3951","3957","10.1021/acs.inorgchem.5b00130","","","0.71073","MoKα","","0.0385","0.0323","","","0.0503","0.0524","","","","","","0.896","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343168","10.519","0.016","10.519","","8.9","0.013","90","","90","","120","","852.8","1.8","298","2","298","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 H3 B O16 Pb7 -","- C6 H3 B O16 Pb7 -","- C12 H6 B2 O32 Pb14 -","2","0.166667","","Abudoureheman, Maierhaba; Wang, Li; Zhang, Xianming; Yu, Hongwei; Yang, Zhihua; Lei, Chen; Han, Jian; Pan, Shilie","Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response.","Inorganic chemistry","2015","54","8","4138","4142","10.1021/acs.inorgchem.5b00401","","","0.71073","MoKα","","0.0421","0.0378","","","0.0958","0.0982","","","","","","1.097","","","","has coordinates","137923","2020-10-21","18:00:00",""
"4343169","16.367","0.0012","4.104","0.0004","11.6772","0.0013","90","","127.401","0.004","90","","623.1","0.11","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi S0.91 Se1.09 -","- Bi S0.912 Se1.088 -","- Bi8 S7.296 Se8.704 -","8","1","","Yamamoto, Ayako; Hashizume, Daisuke; Bahramy, Mohammad Saeed; Tokura, Yoshinori","Coexistence of Monochalocogen and Dichalocogen Ions in BiSe2 and BiS2 Crystals Prepared at High Pressure.","Inorganic chemistry","2015","54","8","4114","4119","10.1021/acs.inorgchem.5b00349","","","0.71073","MoKα","","0.057","0.0417","","","0.104","0.113","","","","","","1.051","","","","has coordinates","137924","2020-10-21","18:00:00",""
"4343170","12.9305","0.00018","13.1452","0.0003","15.4214","0.0003","106.381","0.0017","107.677","0.0015","105.623","0.0015","2208.09","0.09","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C49.5 H48 F3 N3 Nb O3 P S -","- C46 H44 F3 N3 Nb O3 P S -","- C92 H88 F6 N6 Nb2 O6 P2 S2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","0.71073","MoKα","","0.0648","0.0596","","","0.1226","0.1244","","","","","","1.278","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343171","10.59319","0.00018","13.5033","0.0002","16.0085","0.0003","82.8627","0.0015","88.6467","0.0015","70.9964","0.0016","2147.98","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H55 N3 Nb P Si -","- C49 H55 N3 Nb P Si -","- C98 H110 N6 Nb2 P2 Si2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","0.71073","MoKα","","0.0569","0.0438","","","0.0805","0.0857","","","","","","1.074","","","","has coordinates","137925","2020-10-21","18:00:00",""
"4343172","11.5569","0.0003","14.4348","0.0002","17.0151","0.0004","72.9853","0.0017","88.354","0.002","69.0792","0.0018","2526.17","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H68 N3 P2 Ta -","- C48 H52 N3 P2 Ta -","- C96 H104 N6 P4 Ta2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","0.71073","MoKα","","0.0413","0.0331","","","0.0815","0.0846","","","","","","1.075","","","","has coordinates","137925","2020-10-21","18:00:00",""
"4343173","12.0019","0.0006","13.7239","0.0007","15.1796","0.0009","77.885","0.005","68.693","0.005","70.19","0.005","2180.8","0.2","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N3 P Ta -","- C54 H53 N3 P Ta -","- C108 H106 N6 P2 Ta2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","1.5418","CuKα","","0.1089","0.0672","","","0.1472","0.1948","","","","","","1.069","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343174","16.52024","0.0001","17.88962","0.00009","19.80583","0.0001","90","","96.7076","0.0005","90","","5813.37","0.05","110","1","110","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 N4 Nb P Si -","- C68 H72 N4 Nb P Si -","- C272 H288 N16 Nb4 P4 Si4 -","4","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","0.71073","MoKα","","0.039","0.0349","","","0.079","0.0807","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343175","12.33713","0.00018","12.97373","0.00017","16.8536","0.0002","73.3096","0.0011","68.5804","0.0012","73.5376","0.0012","2356.76","0.06","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H59 N5 Nb P Si -","- C53 H59 N5 Nb P Si -","- C106 H118 N10 Nb2 P2 Si2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.","Inorganic chemistry","2015","54","8","4094","4103","10.1021/acs.inorgchem.5b00333","","x-ray","1.5418","CuKα","","0.0329","0.0308","","","0.0808","0.082","","","","","","1.1","","","","has coordinates","137925","2020-10-21","18:00:00",""
"4343176","11.0534","0.0007","18.2044","0.0011","18.9143","0.0011","90","","90.536","0.001","90","","3805.8","0.4","130","2","130","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 B Cd F2 N6 O3 S3 -","- C32 H47 B Cd F2 N6 O3 S3 -","- C128 H188 B4 Cd4 F8 N24 O12 S12 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR).","Inorganic chemistry","2015","54","8","3835","3850","10.1021/acs.inorgchem.5b00017","","","0.71073","MoKα","","0.0394","0.029","","","0.0669","0.0728","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343177","10.6011","0.0015","11.0621","0.0016","15.95","0.002","87.14","0.002","87.683","0.002","86.158","0.002","1862.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H45 B Cd N6 O S4 -","- C34 H45 B Cd N6 O S4 -","- C68 H90 B2 Cd2 N12 O2 S8 -","2","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR).","Inorganic chemistry","2015","54","8","3835","3850","10.1021/acs.inorgchem.5b00017","","","0.71073","MoKα","","0.0749","0.0447","","","0.0807","0.0909","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343178","19.603","0.003","11.4701","0.0015","15.472","0.002","90","","97.844","0.002","90","","3446.3","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 B Cd N6 O2 S3 -","- C31 H45 B Cd N6 O2 S3 -","- C124 H180 B4 Cd4 N24 O8 S12 -","4","1","","Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard","Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR).","Inorganic chemistry","2015","54","8","3835","3850","10.1021/acs.inorgchem.5b00017","","","0.71073","MoKα","","0.1699","0.066","","","0.1035","0.1312","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343179","10.976","0.002","20.089","0.004","27.435","0.006","90","","90","","90","","6049","2","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C51 H98 I2 N6 Ni2 O4 S2 -","- C51 H98 I2 N6 Ni2 O4 S2 -","- C204 H392 I8 N24 Ni8 O16 S8 -","4","0.5","","Jeremies, Alexander; Lehmann, Ulrike; Gruschinski, Sina; Schleife, Frederik; Meyer, Michel; Matulis, Vitaly; Ivashkevich, Oleg A.; Handke, Marcel; Stein, Karolin; Kersting, Berthold","Cavitands incorporating a lewis Acid dinickel chelate function as receptors for halide anions.","Inorganic chemistry","2015","54","8","3937","3950","10.1021/acs.inorgchem.5b00123","","","0.71073","MoKα","","0.0764","0.0536","","","0.1018","0.1105","","","","","","1.105","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343180","5.5153","0.0004","5.5153","0.0004","10.571","0.002","90","","90","","120","","278.47","0.06","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Cs O12 Se2 Ta3 -","- Cs O12 Se2 Ta3 -","- Cs O12 Se2 Ta3 -","1","0.0833333","","Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Cs(TaO2)3(SeO3)2 and Cs(TiOF)3(SeO3)2: Structural and Second Harmonic Generation Changes Induced by the Different d(0)-TM Coordination Octahedra.","Inorganic chemistry","2015","54","8","3875","3882","10.1021/acs.inorgchem.5b00052","","","0.71073","MoKα","","0.0473","0.0423","","","0.1053","0.1142","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343181","7.242","0.0003","7.242","0.0003","11.8152","0.0007","90","","90","","120","","536.65","0.04","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs F3 O9 Se2 Ti3 -","- Cs F3 O9 Se2 Ti3 -","- Cs2 F6 O18 Se4 Ti6 -","2","0.166667","","Cao, Xue-Li; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Cs(TaO2)3(SeO3)2 and Cs(TiOF)3(SeO3)2: Structural and Second Harmonic Generation Changes Induced by the Different d(0)-TM Coordination Octahedra.","Inorganic chemistry","2015","54","8","3875","3882","10.1021/acs.inorgchem.5b00052","","","0.71073","MoKα","","0.0269","0.0228","","","0.0488","0.0512","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343182","25.9261","0.0011","25.9261","0.0011","25.9261","0.0011","90","","90","","90","","17426.6","1.3","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H78 Cd4 O75 Yb4 Zn2 -","- C48 H78 Cd4 O75 Yb4 Zn2 -","- C384 H624 Cd32 O600 Yb32 Zn16 -","8","0.0416667","","Wang, Ying; Wang, Xiu-Guang; Yuan, Bin; Shao, Cheng-Yuan; Chen, Yuan-Yuan; Zhou, Bing-Bing; Li, Ming-Shu; An, Xiao-Mai; Cheng, Peng; Zhao, Xiao-Jun","Cation-Exchange Porosity Tuning in a Dynamic 4d-4f-3d Framework for Ni(II) Ion-Selective Luminescent Probe.","Inorganic chemistry","2015","54","9","4456","4465","10.1021/acs.inorgchem.5b00217","","","0.71073","MoKα","","0.0672","0.0527","","","0.215","0.2481","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343183","19.8283","0.0015","5.9591","0.0005","7.6013","0.0005","90","","109.656","0.005","90","","845.82","0.11","90","2","90","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al2 Ba8 Ir O14 -","- Al2 Ba8 Ir O14 -","- Al4 Ba16 Ir2 O28 -","2","0.25","","Yang, Lin; Pisoni, Andrea; Magrez, Arnaud; Katrych, Sergiy; Arakcheeva, Alla; Dalla Piazza, Bastien; Prša, Krunoslav; Jaćimović, Jaćim; Akrap, Ana; Teyssier, Jérémie; Forró, László; Rønnow, Henrik M","Crystal Structure, Transport, and Magnetic Properties of an Ir(6+) Compound Ba8Al2IrO14.","Inorganic chemistry","2015","54","9","4371","4376","10.1021/acs.inorgchem.5b00157","","","0.71073","MoKα","","0.0455","0.0392","","","0.0791","0.0821","","","","","","1.11","","","","has coordinates","137932","2020-10-21","18:00:00",""
"4343184","19.8367","0.0014","5.9709","0.0006","7.6138","0.0007","90","","109.785","0.005","90","","848.57","0.13","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al2 Ba8 Ir O14 -","- Al2 Ba8 Ir O14 -","- Al4 Ba16 Ir2 O28 -","2","0.25","","Yang, Lin; Pisoni, Andrea; Magrez, Arnaud; Katrych, Sergiy; Arakcheeva, Alla; Dalla Piazza, Bastien; Prša, Krunoslav; Jaćimović, Jaćim; Akrap, Ana; Teyssier, Jérémie; Forró, László; Rønnow, Henrik M","Crystal Structure, Transport, and Magnetic Properties of an Ir(6+) Compound Ba8Al2IrO14.","Inorganic chemistry","2015","54","9","4371","4376","10.1021/acs.inorgchem.5b00157","","","0.71073","MoKα","","0.0442","0.039","","","0.0918","0.0949","","","","","","1.133","","","","has coordinates","137933","2020-10-21","18:00:00",""
"4343185","12.5535","0.0005","12.8827","0.0005","19.9161","0.0008","82.813","0.002","72.667","0.002","65.379","0.002","2795.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_Ph2)","","","- C62 H72 Mo N6 O P4 -","- C62 H72 Mo N6 O P4 -","- C124 H144 Mo2 N12 O2 P8 -","2","1","","Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.","Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.","Inorganic chemistry","2015","54","9","4409","4422","10.1021/acs.inorgchem.5b00209","","","0.71073","MoKα","","0.0392","0.0297","","","0.0621","0.0658","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343186","12.9035","0.0006","13.5913","0.0006","14.4595","0.0006","87.571","0.002","81.87","0.002","78.662","0.002","2461.09","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_ArF)","","","- C50 H60 F4 Mo N6 O P4 -","- C50 H60 F4 Mo N6 O P4 -","- C100 H120 F8 Mo2 N12 O2 P8 -","2","1","","Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.","Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.","Inorganic chemistry","2015","54","9","4409","4422","10.1021/acs.inorgchem.5b00209","","","0.71073","MoKα","","0.0373","0.0295","","","0.0625","0.0658","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343187","10.4421","0.0013","41.057","0.004","12.0755","0.0015","90","","110.658","0.006","90","","4844.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_iPr2)","","","- C46 H72 Mo N6 P4 -","- C46 H72 Mo N6 P4 -","- C184 H288 Mo4 N24 P16 -","4","1","","Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.","Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.","Inorganic chemistry","2015","54","9","4409","4422","10.1021/acs.inorgchem.5b00209","","","0.71073","MoKα","","0.0549","0.0386","","","0.0758","0.0819","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343188","16.537","0.0008","21.5308","0.001","20.5235","0.0008","90","","112.761","0.002","90","","6738.4","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[trans-Mo(NNH2)(OTf)(PMePh2)2(P_Et2-PN2, N_Ph2)][OTf]","","","- C70.5 H78 F6 Mo N4 O6 P4 S2 -","- C60 H66 F6 Mo N4 O6 P4 S2 -","- C240 H264 F24 Mo4 N16 O24 P16 S8 -","4","1","","Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.","Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.","Inorganic chemistry","2015","54","9","4409","4422","10.1021/acs.inorgchem.5b00209","","","0.71073","MoKα","","0.0313","0.026","","","0.0626","0.0643","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343189","10.9713","0.0007","12.6241","0.0007","16.4729","0.001","76.393","0.003","80.673","0.003","82.264","0.003","2177.1","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_Ph)","","","- C46 H56 Mo N6 P4 -","- C46 H56 Mo N6 P4 -","- C92 H112 Mo2 N12 P8 -","2","1","","Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T.","Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes.","Inorganic chemistry","2015","54","9","4409","4422","10.1021/acs.inorgchem.5b00209","","","0.71073","MoKα","","0.0331","0.0257","","","0.0612","0.0651","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343190","7.0458","0.0003","13.6789","0.0007","13.7056","0.0006","65.088","0.001","79.045","0.001","75.1","0.001","1152.7","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Cl4 N4 O5 Pt -","- C19 H20 Cl4 N4 O5 Pt -","- C38 H40 Cl8 N8 O10 Pt2 -","2","1","","Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens","Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.","Inorganic chemistry","2015","54","9","4183","4185","10.1021/acs.inorgchem.5b00450","","","0.71073","MoKα","","0.0283","0.0267","","","0.0693","0.0703","","","","","","1.066","","","","has coordinates","137935","2020-10-21","18:00:00",""
"4343191","10.6028","0.0009","12.3886","0.0011","14.1536","0.0012","65.221","0.002","85.098","0.002","70.44","0.002","1587.3","0.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H25 B2 Cl F8 N10 O Pd2 -","- C22 H25 B2 Cl F8 N10 O Pd2 -","- C44 H50 B4 Cl2 F16 N20 O2 Pd4 -","2","1","","Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens","Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.","Inorganic chemistry","2015","54","9","4183","4185","10.1021/acs.inorgchem.5b00450","","","0.71073","MoKα","","0.0734","0.0541","","","0.1241","0.1501","","","","","","1.16","","","","has coordinates","137936","2020-10-21","18:00:00",""
"4343192","7.9691","0.0006","8.4518","0.0006","11.3366","0.0008","110.039","0.002","96.654","0.002","100.234","0.002","692.9","0.09","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 Cl Hg N4 O7 -","- C10 H11 Cl Hg N4 O7 -","- C20 H22 Cl2 Hg2 N8 O14 -","2","1","","Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens","Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.","Inorganic chemistry","2015","54","9","4183","4185","10.1021/acs.inorgchem.5b00450","","","0.71073","MoKα","","0.0272","0.0265","","","0.07","0.0705","","","","","","1.108","","","","has coordinates","137937","2020-10-21","18:00:00",""
"4343193","19.349","0.005","10.589","0.003","25.438","0.006","90","","98.201","0.01","90","","5159","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H65 B Fe N6 O5 -","- C60 H65 B Fe N6 O5 -","- C240 H260 B4 Fe4 N24 O20 -","4","1","","Tichnell, Christopher R.; Shultz, David A.; Popescu, Codrina V.; Sokirniy, Ivan; Boyle, Paul D.","Synthesis, Characterization, and Photophysical Studies of an Iron(III) Catecholate-Nitronylnitroxide Spin-Crossover Complex.","Inorganic chemistry","2015","54","9","4466","4474","10.1021/acs.inorgchem.5b00298","","","0.71073","MoKα","","0.1072","0.0676","","","0.1711","0.1954","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343194","13.5566","0.001","5.7532","0.0004","14.7074","0.001","90","","91.859","0.007","90","","1146.48","0.14","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl Cu Se4 -","- C24 H20 Cl Cu Se4 -","- C48 H40 Cl2 Cu2 Se8 -","2","1","","Tyrrell, Sophie; Behrendt, Gereon; Nockemann, Peter","Ionothermal syntheses of nano- and microstructured ternary copper-indium-chalcogenides.","Inorganic chemistry","2015","54","9","4495","4503","10.1021/acs.inorgchem.5b00322","","","0.71075","MoKα","","0.0785","0.0548","","","0.1133","0.1263","","","","","","1.03","","","","has coordinates","137939","2020-10-21","18:00:00",""
"4343195","19.8719","0.0014","9.0935","0.0005","29.202","0.002","90","","91.777","0.002","90","","5274.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 Cl3.33 Cu1.67 N2 O0.33 -","- C12 H23 Cl3.33333 Cu1.66667 N2 O0.333333 -","- C144 H276 Cl40 Cu20 N24 O4 -","12","3","","Tyrrell, Sophie; Behrendt, Gereon; Nockemann, Peter","Ionothermal syntheses of nano- and microstructured ternary copper-indium-chalcogenides.","Inorganic chemistry","2015","54","9","4495","4503","10.1021/acs.inorgchem.5b00322","","","0.71075","MoKα","","0.1485","0.0966","","","0.2494","0.2787","","","","","","1.05","","","","has coordinates","137940","2020-10-21","18:00:00",""
"4343196","22.2186","0.0016","5.3982","0.0004","16.8604","0.0012","90","","93.53","0.002","90","","2018.4","0.3","293","2","373.3","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 Cu2 O7 Se2 -","- C14 H20 Cl2 Cu2 O7 Se2 -","- C56 H80 Cl8 Cu8 O28 Se8 -","4","1","","Tyrrell, Sophie; Behrendt, Gereon; Nockemann, Peter","Ionothermal syntheses of nano- and microstructured ternary copper-indium-chalcogenides.","Inorganic chemistry","2015","54","9","4495","4503","10.1021/acs.inorgchem.5b00322","","","0.71075","MoKα","","0.0754","0.0651","","","0.1591","0.167","","","","","","1.028","","","","has coordinates,has disorder","137941","2020-10-21","18:00:00",""
"4343197","14.9144","0.0002","12.4522","0.0001","43.8122","0.0004","90","","92.55","","90","","8128.62","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H80 Cu4 I4 P4 -","- C86 H76 Cu4 I4 P4 -","- C344 H304 Cu16 I16 P16 -","4","1","","Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.","Inorganic chemistry","2015","54","9","4483","4494","10.1021/acs.inorgchem.5b00321","","x-ray","0.71073","MoKα","","0.0469","0.0398","","","0.1066","0.12","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343198","14.9801","0.0003","12.5465","0.0002","44.0292","0.0008","90","","92.587","0.001","90","","8266.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H80 Cu4 I4 P4 -","- C79 H68 Cu4 I4 P4 -","- C316 H272 Cu16 I16 P16 -","4","1","","Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.","Inorganic chemistry","2015","54","9","4483","4494","10.1021/acs.inorgchem.5b00321","","x-ray","0.71073","MoKα","","0.048","0.0399","","","0.1278","0.1469","","","","","","1.259","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343199","15.0544","0.0003","12.6018","0.0002","44.1431","0.0007","90","","92.512","0.001","90","","8366.5","0.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H80 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","1","","Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.","Inorganic chemistry","2015","54","9","4483","4494","10.1021/acs.inorgchem.5b00321","","x-ray","0.71073","MoKα","","0.0442","0.0369","","","0.0876","0.0969","","","","","","1.003","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343200","15.133","0.0003","12.6547","0.0002","44.2692","0.0008","90","","92.46","0.001","90","","8469.9","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H80 Cu4 I4 P4 -","- C72 H60 Cu4 I4 P4 -","- C288 H240 Cu16 I16 P16 -","4","1","","Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.","Inorganic chemistry","2015","54","9","4483","4494","10.1021/acs.inorgchem.5b00321","","x-ray","0.71073","MoKα","","0.0638","0.0511","","","0.1683","0.1825","","","","","","1.306","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343201","14.3741","0.0007","30.0594","0.0013","21.7725","0.0009","90","","92.048","0.003","90","","9401.4","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H90 F48 N14 P8 Ru -","- C58 H90 F48 N14 P8 Ru -","- C232 H360 F192 N56 P32 Ru4 -","4","0.5","","Swords, Wesley B.; Li, Guocan; Meyer, Gerald J.","Iodide Ion Pairing with Highly Charged Ruthenium Polypyridyl Cations in CH3CN.","Inorganic chemistry","2015","54","9","4512","4519","10.1021/acs.inorgchem.5b00344","","","1.54178","CuKα","","0.0691","0.0517","","","0.1342","0.1423","","","","","","1.046","","","","has coordinates,has disorder","137944","2020-10-21","18:00:00",""
"4343202","9.967","0.003","23.28","0.008","16.488","0.005","90","","101.938","0.006","90","","3743","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cl Ge N2 P S2 -","- C37 H46 Cl Ge N2 P S2 -","- C148 H184 Cl4 Ge4 N8 P4 S8 -","4","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.0447","0.038","","","0.1044","0.1077","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343203","11.819","0.0014","19.8686","0.0016","17.0018","0.0014","90","","108.128","0.01","90","","3794.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 Ge N2 O P -","- C41 H51 Ge N2 O P -","- C164 H204 Ge4 N8 O4 P4 -","4","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.1109","0.0705","","","0.1767","0.2198","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343204","24.657","0.005","21.365","0.004","14.767","0.003","90","","90","","90","","7779","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C41 H51 Ge N2 O2 P -","- C41 H51 Ge N2 O2 P -","- C328 H408 Ge8 N16 O16 P8 -","8","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.1044","0.0633","","","0.1211","0.1336","","","","","","1.019","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4343205","9.5906","0.0014","12.0751","0.0017","20.452","0.003","104.345","0.002","92.58","0.003","108.515","0.002","2156.1","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H59 Ge N2 O P S -","- C48 H59 Ge N2 O P S -","- C96 H118 Ge2 N4 O2 P2 S2 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.042","0.0382","","","0.1122","0.1144","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343206","8.5587","0.0019","11.772","0.003","17.278","0.004","79.562","0.004","88.408","0.004","82.592","0.004","1697.7","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H51 Ge N2 O3 P S -","- C33 H51 Ge N2 O3.09 P S -","- C66 H102 Ge2 N4 O6.18 P2 S2 -","2","1","","Wu, Yile; Liu, Liu; Su, Jue; Yan, Kaili; Wang, Tao; Zhu, Jun; Gao, Xiang; Gao, Yuxing; Zhao, Yufen","Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism.","Inorganic chemistry","2015","54","9","4423","4430","10.1021/acs.inorgchem.5b00205","","","0.71073","MoKα","","0.072","0.0667","","","0.168","0.1719","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343207","23.1941","0.001","13.4114","0.0005","16.7226","0.0006","90","","91.6148","0.001","90","","5199.8","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H27 Eu F18 O8 P2 -","- C49 H27 Eu F18 O8 P2 -","- C196 H108 Eu4 F72 O32 P8 -","4","1","","Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Fushimi, Koji; Seki, Tomohiro; Ito, Hajime; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Satoh, Toshifumi; Hasegawa, Yasuchika","Luminescent Coordination Glass: Remarkable Morphological Strategy for Assembled Eu(III) Complexes.","Inorganic chemistry","2015","54","9","4364","4370","10.1021/acs.inorgchem.5b00145","","","0.71075","MoKα","","0.0484","0.042","","","0.0989","0.0998","","","","","","2.865","","","","has coordinates","137946","2020-10-21","18:00:00",""
"4343208","12.5432","0.0009","30.3644","0.0015","12.9212","0.0009","90","","90.378","0.006","90","","4921.1","0.5","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H54 Eu2 F36 O16 P4 -","- C98 H54 Eu2 F36 O16 P4 -","- C196 H108 Eu4 F72 O32 P8 -","2","0.5","","Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Fushimi, Koji; Seki, Tomohiro; Ito, Hajime; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Satoh, Toshifumi; Hasegawa, Yasuchika","Luminescent Coordination Glass: Remarkable Morphological Strategy for Assembled Eu(III) Complexes.","Inorganic chemistry","2015","54","9","4364","4370","10.1021/acs.inorgchem.5b00145","","","0.71075","MoKα","","","0.0439","","","","0.0728","","","","","","1.008","","","","has coordinates","137947","2020-10-21","18:00:00",""
"4343209","9.092","0.003","14.604","0.004","21.017","0.007","97.123","0.003","94.549","0.004","90.761","0.004","2759.6","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H14 Cl16 F12 N2 O4 Zn -","- C46 H14 Cl16 F12 N2 O4 Zn -","- C92 H28 Cl32 F24 N4 O8 Zn2 -","2","1","","Kusamoto, Tetsuro; Hattori, Yohei; Tanushi, Akira; Nishihara, Hiroshi","Intramolecular Ferromagnetic Radical-Cu(II) Coupling in a Cu(II) Complex Ligated with Pyridyl-Substituted Triarylmethyl Radicals.","Inorganic chemistry","2015","54","9","4186","4188","10.1021/acs.inorgchem.5b00499","","","0.71073","MoKα","","0.0795","0.0586","","","0.1371","0.1558","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343210","9.107","0.002","14.594","0.004","20.758","0.005","96.054","0.004","94.587","0.004","90.641","0.004","2734.2","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H14 Cl16 Cu F12 N2 O4 -","- C46 H14 Cl16 Cu F12 N2 O4 -","- C92 H28 Cl32 Cu2 F24 N4 O8 -","2","1","","Kusamoto, Tetsuro; Hattori, Yohei; Tanushi, Akira; Nishihara, Hiroshi","Intramolecular Ferromagnetic Radical-Cu(II) Coupling in a Cu(II) Complex Ligated with Pyridyl-Substituted Triarylmethyl Radicals.","Inorganic chemistry","2015","54","9","4186","4188","10.1021/acs.inorgchem.5b00499","","","0.71073","MoKα","","0.0905","0.0794","","","0.2052","0.2095","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343211","14.4693","0.0008","65.138","0.003","28.8888","0.0013","90","","90","","90","","27228","2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C72 H42 Cu6 N2 O30 -","- C72 H30 Cu6 N2 O30 -","- C576 H240 Cu48 N16 O240 -","8","1","","Duan, Xing; Wu, Chuande; Xiang, Shengchang; Zhou, Wei; Yildirim, Taner; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","Novel microporous metal-organic framework exhibiting high acetylene and methane storage capacities.","Inorganic chemistry","2015","54","9","4377","4381","10.1021/acs.inorgchem.5b00194","","","0.71073","MoKα","","0.1346","0.0933","","","0.2216","0.2473","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343212","12.872","0.003","13.089","0.003","17.688","0.004","73.54","0.004","68.684","0.004","62.494","0.003","2438.3","1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","dichloro(bis(triphenylphosphine))dithiocarboxytriphenylphophine)ruthenium(II)","","- C57 H47 Cl2 P3 Ru S2.5 -","- C57 H47 Cl2 P3 Ru S2.5 -","- C114 H94 Cl4 P6 Ru2 S5 -","2","1","","Ghiassi, Kamran B.; Walters, Daniel T.; Aristov, Michael M.; Loewen, Natalia D.; Berben, Louise A.; Rivera, Melissa; Olmstead, Marilyn M.; Balch, Alan L.","Formation of a Stable Complex, RuCl2(S2CPPh3)(PPh3)2, Containing an Unstable Zwitterion from the Reaction of RuCl2(PPh3)3 with Carbon Disulfide.","Inorganic chemistry","2015","54","9","4565","4573","10.1021/acs.inorgchem.5b00461","","","0.71073","MoKα","","0.0571","0.0393","","","0.0901","0.0961","","","","","","0.977","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343213","12.5945","0.0007","16.5294","0.0009","16.4597","0.0009","90","","102.182","0.003","90","","3349.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","dichloro(methanol)thiocarbonylbis(triphenylphosphine)ruthenium(II)","","- C38 H34 Cl2 O P2 Ru S -","- C38 H34 Cl2 O P2 Ru S -","- C152 H136 Cl8 O4 P8 Ru4 S4 -","4","1","","Ghiassi, Kamran B.; Walters, Daniel T.; Aristov, Michael M.; Loewen, Natalia D.; Berben, Louise A.; Rivera, Melissa; Olmstead, Marilyn M.; Balch, Alan L.","Formation of a Stable Complex, RuCl2(S2CPPh3)(PPh3)2, Containing an Unstable Zwitterion from the Reaction of RuCl2(PPh3)3 with Carbon Disulfide.","Inorganic chemistry","2015","54","9","4565","4573","10.1021/acs.inorgchem.5b00461","","","0.7749","synchrotron","","0.0317","0.0246","","","0.057","0.0599","","","","","","1.03","","","","has coordinates","137952","2020-10-21","18:00:00",""
"4343214","12.8823","0.0017","12.8979","0.0016","16.549","0.002","82.295","0.004","72.142","0.004","87.187","0.004","2593.5","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","[chlorobis(triphenylphosphine)(dithiocarboxytriphenylphosphine)- (thiocarbonyl)ruthenium(II)] chloride . 2 methanol cocrystal","","- C58 H53 Cl2 O2 P3 Ru S3 -","- C58 H53 Cl2 O2 P3 Ru S3 -","- C116 H106 Cl4 O4 P6 Ru2 S6 -","2","1","","Ghiassi, Kamran B.; Walters, Daniel T.; Aristov, Michael M.; Loewen, Natalia D.; Berben, Louise A.; Rivera, Melissa; Olmstead, Marilyn M.; Balch, Alan L.","Formation of a Stable Complex, RuCl2(S2CPPh3)(PPh3)2, Containing an Unstable Zwitterion from the Reaction of RuCl2(PPh3)3 with Carbon Disulfide.","Inorganic chemistry","2015","54","9","4565","4573","10.1021/acs.inorgchem.5b00461","","","0.71073","MoKα","","0.0352","0.0273","","","0.0608","0.0639","","","","","","1.026","","","","has coordinates,has disorder","137953","2020-10-21","18:00:00",""
"4343215","8.4681","0.0008","42.973","0.004","12.5165","0.0013","90","","106.739","0.001","90","","4361.8","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","dimer1","","","- C30 N4 O19 U2 -","- C30 N4 O19 U2 -","- C120 N16 O76 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0541","0.0461","","","0.1112","0.1178","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343216","20.833","0.004","11.573","0.002","15.8","0.003","90","","98.452","0.002","90","","3768","1.2","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","dimer2","","","- C26 N4 O18 U2 -","- C26 N4 O18 U2 -","- C104 N16 O72 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0435","0.0358","","","0.093","0.098","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343217","20.9164","0.0015","17.7959","0.0012","18.9742","0.0013","90","","115.212","0.001","90","","6389.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimer3","","","- C46 N4 O22 U2 -","- C46 N4 O22 U2 -","- C184 N16 O88 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0529","0.0437","","","0.1358","0.1435","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343218","12.1453","0.0012","20.9227","0.0019","16.5252","0.0013","90","","116.108","0.005","90","","3770.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimer4","","","- C22 N4 O22 U2 -","- C22 N4 O22 U2 -","- C88 N16 O88 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0396","0.0275","","","0.0673","0.0722","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343219","14.8","0.004","12.455","0.003","20.33","0.003","90","","119.641","0.013","90","","3257.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimer5","","","- C22 K N3 O19 U2 -","- C22 K N3 O19 U2 -","- C88 K4 N12 O76 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0468","0.029","","","0.0722","0.08","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343220","22.961","0.004","6.9967","0.0011","25.851","0.004","90","","110.903","0.002","90","","3879.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimer6","","","- C20 K N3 O26 U2 -","- C20 K N3 O26 U2 -","- C80 K4 N12 O104 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0479","0.0431","","","0.107","0.1098","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343221","12.1598","0.0011","12.4557","0.0011","18.0833","0.0016","90.944","0.001","97.846","0.001","104.41","0.001","2624.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer7","","","- C22 N4 O20.66666 U2 -","- C22 N4 O20.6667 U2 -","- C66 N12 O62 U6 -","3","1.5","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0324","0.0271","","","0.0699","0.0733","","","","","","1.024","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343222","18.002","0.002","18.999","0.003","19.284","0.003","88.108","0.002","89.618","0.002","77.286","0.002","6430.3","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer8","","","- C56 N6 O17 U2 -","- C56 N6 O17 U2 -","- C224 N24 O68 U8 -","4","2","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.1649","0.082","","","0.1928","0.2306","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343223","10.8787","0.0011","13.0194","0.0013","13.0326","0.0013","73.48","0.001","71.442","0.001","70.932","0.001","1620","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer9","","","- C56 N6 O18 U2 -","- C56 N6 O18 U2 -","- C56 N6 O18 U2 -","1","0.5","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0355","0.0325","","","0.0852","0.0872","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343224","13.089","0.003","13.526","0.003","14.194","0.003","79.368","0.002","81.627","0.003","84.113","0.003","2436","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer10","","","- C32 N4 O20 U2 -","- C32 N4 O20 U2 -","- C64 N8 O40 U4 -","2","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0906","0.0639","","","0.1769","0.1955","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343225","14.069","0.002","10.0359","0.0017","16.953","0.002","90","","124.363","0.01","90","","1975.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimer11","","","- C32 N4 O14 U2 -","- C32 N4 O14 U2 -","- C64 N8 O28 U4 -","2","0.5","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0807","0.0419","","","0.0826","0.0958","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343226","17.392","0.004","12.102","0.003","13.962","0.003","90","","111.526","0.004","90","","2733.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimer12","","","- C8 K6 O26 U2 -","- C8 K6 O26 U2 -","- C32 K24 O104 U8 -","4","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0302","0.0214","","","0.0526","0.0563","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343227","6.7371","0.0013","12.337","0.002","16.243","0.003","90","","113.554","0.006","90","","1237.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimer13","","","- C8 Na6 O28 U2 -","- C8 Na6 O28 U2 -","- C16 Na12 O56 U4 -","2","0.5","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0331","0.0282","","","0.067","0.0695","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343228","7.6447","0.0016","10.189","0.002","10.664","0.002","108.322","0.002","95.351","0.002","97.444","0.002","773.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer14","","","- C4 O16 Rb3 U -","- C4 O16 Rb3 U -","- C8 O32 Rb6 U2 -","2","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0613","0.053","","","0.1248","0.1308","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343229","7.8794","0.0016","10.45","0.002","11.106","0.002","109.505","0.002","93.175","0.002","97.678","0.003","849.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dimer15","","","- C4 Cs3 O16 U -","- C4 Cs3 O16 U -","- C8 Cs6 O32 U2 -","2","1","","Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.","Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.","Inorganic chemistry","2015","54","9","4445","4455","10.1021/acs.inorgchem.5b00248","","","0.71073","MoKα","","0.0861","0.0585","","","0.1275","0.1403","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343230","9.0749","0.0002","16.9463","0.0004","17.5698","0.0004","90","","106.381","0.001","90","","2592.31","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O8 Zn -","- C24 H27 Cl N4 O8 Zn -","- C96 H108 Cl4 N16 O32 Zn4 -","4","1","","Roux, Amandine; Nonat, Aline M.; Brandel, Jérémy; Hubscher-Bruder, Véronique; Charbonnière, Loïc J","Kinetically Inert Bispidol-Based Cu(II) Chelate for Potential Application to (64/67)Cu Nuclear Medicine and Diagnosis.","Inorganic chemistry","2015","54","9","4431","4444","10.1021/acs.inorgchem.5b00207","","","0.71073","MoKα","","0.0693","0.0631","","","0.1443","0.1462","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343231","8.5812","0.0004","13.0011","0.0006","13.8811","0.0007","90","","90","","90","","1548.65","0.13","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- Cs2 O6 Si U -","- Cs2 O6 Si U -","- Cs16 O48 Si8 U8 -","8","0.5","","Read, Cory Michael; Smith, Mark D.; Withers, Ray; Zur Loye, Hans-Conrad","Flux Crystal Growth and Optical Properties of Two Uranium-Containing Silicates: A2USiO6 (A = Cs, Rb).","Inorganic chemistry","2015","54","9","4520","4525","10.1021/acs.inorgchem.5b00364","","","0.71073","MoKα","","0.0327","0.0253","","","0.0506","0.0531","","","","","","1.052","","","","has coordinates","137956","2020-10-21","18:00:00",""
"4343232","8.4916","0.0006","12.6678","0.0009","13.5077","0.0009","90","","90","","90","","1453.02","0.17","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- O6 Rb2 Si U -","- O6 Rb2 Si U -","- O48 Rb16 Si8 U8 -","8","0.5","","Read, Cory Michael; Smith, Mark D.; Withers, Ray; Zur Loye, Hans-Conrad","Flux Crystal Growth and Optical Properties of Two Uranium-Containing Silicates: A2USiO6 (A = Cs, Rb).","Inorganic chemistry","2015","54","9","4520","4525","10.1021/acs.inorgchem.5b00364","","","0.71073","MoKα","","0.0457","0.0369","","","0.0918","0.0965","","","","","","1.088","","","","has coordinates","137956","2020-10-21","18:00:00",""
"4343233","14.913","0.004","11.125","0.003","20.084","0.006","90","","108.503","0.006","90","","3159.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Co0.5 Dy O11 -","- C28 H20 Co0.5 Dy O11 -","- C112 H80 Co2 Dy4 O44 -","4","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","Utilizing 3d-4f magnetic interaction to slow the magnetic relaxation of heterometallic complexes.","Inorganic chemistry","2015","54","9","4337","4344","10.1021/acs.inorgchem.5b00019","","","0.71073","MoKα","","0.1001","0.0568","","","0.1603","0.182","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343234","14.812","0.002","10.9693","0.0016","20.281","0.003","90","","109.248","0.002","90","","3111","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H52 Dy2 Ni O20 -","- C70 H52 Dy2 Ni O20 -","- C140 H104 Dy4 Ni2 O40 -","2","0.5","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","Utilizing 3d-4f magnetic interaction to slow the magnetic relaxation of heterometallic complexes.","Inorganic chemistry","2015","54","9","4337","4344","10.1021/acs.inorgchem.5b00019","","","0.71073","MoKα","","0.0736","0.043","","","0.098","0.1171","","","","","","1.014","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4343235","10.792","0.002","20.804","0.004","11.914","0.002","90","","110.764","0.003","90","","2501.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Co0.5 O8 Tb -","- C28 H20 Co0.5 O8 Tb -","- C112 H80 Co2 O32 Tb4 -","4","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","Utilizing 3d-4f magnetic interaction to slow the magnetic relaxation of heterometallic complexes.","Inorganic chemistry","2015","54","9","4337","4344","10.1021/acs.inorgchem.5b00019","","","0.71073","MoKα","","0.0468","0.0297","","","0.0621","0.0699","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343236","10.024","0.004","11.08","0.004","12.217","0.005","95.506","0.007","113.574","0.006","93.738","0.007","1229.9","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cd0.5 Dy O8 -","- C28 H20 Cd0.5 Dy O8 -","- C56 H40 Cd Dy2 O16 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","Utilizing 3d-4f magnetic interaction to slow the magnetic relaxation of heterometallic complexes.","Inorganic chemistry","2015","54","9","4337","4344","10.1021/acs.inorgchem.5b00019","","","0.71073","MoKα","","0.061","0.0408","","","0.0831","0.0912","","","","","","0.995","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343237","11.9745","0.001","32.827","0.003","25.847","0.002","90","","98.614","0.002","90","","10045.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H98 N2 O21 Zn4 -","- C102 H74 N2 O21 Zn4 -","- C408 H296 N8 O84 Zn16 -","4","1","","Mukherjee, Soumya; Joarder, Biplab; Desai, Aamod V.; Manna, Biplab; Krishna, Rajamani; Ghosh, Sujit K.","Exploiting Framework Flexibility of a Metal-Organic Framework for Selective Adsorption of Styrene over Ethylbenzene.","Inorganic chemistry","2015","54","9","4403","4408","10.1021/acs.inorgchem.5b00206","","","0.71073","MoKα","","0.1701","0.1094","","","0.3114","0.3426","","","","","","1.061","","","","has coordinates","137958","2020-10-21","18:00:00",""
"4343238","19.4643","0.0004","19.4643","0.0004","25.534","0.0009","90","","90","","90","","9673.8","0.4","173","2","173","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C88 H100 F4 N16 O96 P2 W24 Zn3 -","- C88 H96 F4 N16 O96 P2 W24 Zn3 -","- C176 H192 F8 N32 O192 P4 W48 Zn6 -","2","0.125","","Liao, Jian-Zhen; Zhang, Hai-Long; Wang, Sa-Sa; Yong, Jian-Ping; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Multifunctional radical-doped polyoxometalate-based host-guest material: photochromism and photocatalytic activity.","Inorganic chemistry","2015","54","9","4345","4350","10.1021/acs.inorgchem.5b00041","","","1.54184","CuKα","","0.0628","0.0579","","","0.128","0.131","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343239","20.9017","0.0011","15.6536","0.0008","21.5227","0.0011","90","","90","","90","","7041.9","0.6","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","MacLean_NLM_1_045","","","- C40 H41 Br Mn N3 O P2 -","- C40 H41 Br Mn N3 O P2 -","- C320 H328 Br8 Mn8 N24 O8 P16 -","8","2","","Mukhopadhyay, Tufan K.; MacLean, Nicholas L.; Gan, Lu; Ashley, Daniel C.; Groy, Thomas L.; Baik, Mu-Hyun; Jones, Anne K.; Trovitch, Ryan J.","Carbon Dioxide Promoted H(+) Reduction Using a Bis(imino)pyridine Manganese Electrocatalyst.","Inorganic chemistry","2015","54","9","4475","4482","10.1021/acs.inorgchem.5b00315","","","0.71073","MoKα","","0.0474","0.0323","","","0.0545","0.0571","","","","","","0.859","","","","has coordinates","137960","2020-10-21","18:00:00",""
"4343240","7.53534","0.00008","7.53534","0.00008","4.6159","0.00006","90","","90","","90","","262.097","0.005","298","","298","","","","","","","","","3","I 4/m","-I 4","87","Sodium neptunate","Na4NpO5","","- Na4 Np O5 -","- Na4 Np O5 -","- Na8 Np2 O10 -","2","0.125","","Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.","X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.","Inorganic chemistry","2015","54","9","4556","4564","10.1021/acs.inorgchem.5b00462","powder diffraction","","1.5406","CuKα","","","","","","","","","3.557","3.98178","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343241","5.82924","0.00006","9.9962","0.00011","5.75771","0.00006","90","","110.729","0.0005","90","","313.784","0.006","298","","298","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Sodium neptunate","Na5NpO6","","- Na5 Np O6 -","- Na5 Np O6 -","- Na10 Np2 O12 -","2","0.25","","Smith, Anna L.; Hen, Amir; Raison, Philippe E.; Colineau, Eric; Griveau, Jean-Christophe; Magnani, Nicola; Sanchez, Jean-Pierre; Konings, Rudy J. M.; Caciuffo, Roberto; Cheetham, Anthony K.","X-ray Diffraction, Mössbauer Spectroscopy, Magnetic Susceptibility, and Specific Heat Investigations of Na4NpO5 and Na5NpO6.","Inorganic chemistry","2015","54","9","4556","4564","10.1021/acs.inorgchem.5b00462","powder diffraction","","1.5406","CuKα","","","","","","","","","5.8567","3.47524","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343242","16.9527","0.0014","12.8816","0.001","16.9068","0.0014","90","","90","","90","","3692.1","0.5","150","2","150","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C18 H54 O6 Si8 Sm -","- C18 H54 O6 Si8 Sm -","- C72 H216 O24 Si32 Sm4 -","4","0.5","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0733","0.0604","","","0.1494","0.1585","","","","","","1.24","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343243","16.7639","0.001","12.7811","0.0008","16.8394","0.001","90","","90","","90","","3608","0.4","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 O6 Si8 Yb -","- C18 H54 O6 Si8 Yb -","- C72 H216 O24 Si32 Yb4 -","4","","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0288","0.0214","","","0.0461","0.0514","","","","","","1.09","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343244","16.8732","0.0014","12.8843","0.0011","16.9266","0.0014","90","","90","","90","","3679.8","0.5","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 Eu O6 Si8 -","- C18 H54 Eu O6 Si8 -","- C72 H216 Eu4 O24 Si32 -","4","","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0316","0.0236","","","0.0537","0.059","","","","","","1.054","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343245","12.6349","0.0013","20.318","0.002","13.6729","0.0014","90","","93.872","0.0012","90","","3502","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 B2 O8 Si8 Yb -","- C62 H100 B2 O8 Si8 Yb -","- C124 H200 B4 O16 Si16 Yb2 -","2","0.5","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0356","0.0251","","","0.0535","0.0582","","","","","","1.012","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343246","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C39 H51 B Cl4 Co Mo N6 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Doonan, Christian J.; Gourlay, Craig; Nielsen, David J.; Ng, Victor W. L.; Smith, Paul D.; Evans, David J.; George, Graham N.; White, Jonathan M.; Young, Charles G.","d(1) Oxosulfido-Mo(V) Compounds: First Isolation and Unambiguous Characterization of an Extended Series.","Inorganic chemistry","2015","54","13","6386","6396","10.1021/acs.inorgchem.5b00708","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343247","15.857","0.004","8.926","0.002","21.669","0.005","90","","104.875","0.004","90","","2964.2","1.2","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Tp(iPr)MoO(O,S-C6H4)]","","","- C26 H35 B Mo N7 O2 S -","- C26 H35 B Mo N7 O2 S -","- C104 H140 B4 Mo4 N28 O8 S4 -","4","1","","Doonan, Christian J.; Gourlay, Craig; Nielsen, David J.; Ng, Victor W. L.; Smith, Paul D.; Evans, David J.; George, Graham N.; White, Jonathan M.; Young, Charles G.","d(1) Oxosulfido-Mo(V) Compounds: First Isolation and Unambiguous Characterization of an Extended Series.","Inorganic chemistry","2015","54","13","6386","6396","10.1021/acs.inorgchem.5b00708","","","0.71073","MoKα","","0.1749","0.0936","","","0.2015","0.2436","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343248","12.446","0.003","12.235","0.002","23.269","0.005","90","","100.05","0.03","90","","3489","1.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Tp(iPr)MoO(OC6H3Bu)(MeCN)].MeCN","","","- C32 H47 B Mo N8 O2 -","- C32 H47 B Mo N8 O2 -","- C128 H188 B4 Mo4 N32 O8 -","4","1","","Doonan, Christian J.; Gourlay, Craig; Nielsen, David J.; Ng, Victor W. L.; Smith, Paul D.; Evans, David J.; George, Graham N.; White, Jonathan M.; Young, Charles G.","d(1) Oxosulfido-Mo(V) Compounds: First Isolation and Unambiguous Characterization of an Extended Series.","Inorganic chemistry","2015","54","13","6386","6396","10.1021/acs.inorgchem.5b00708","","","0.71073","MoKα","","0.1061","0.0953","","","0.2289","0.2418","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343249","8.8516","0.0005","12.3131","0.0006","21.2911","0.0007","90","","91.237","0.003","90","","2319.99","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K N4 O7 Ru -","- C20 H18 K N4 O7 Ru -","- C80 H72 K4 N16 O28 Ru4 -","4","1","","Marinescu, Gabriela; Maxim, Catalin; Clérac, Rodolphe; Andruh, Marius","[Ru(III)(valen)(CN)2](-): a New Building Block To Design 4d-4f Heterometallic Complexes.","Inorganic chemistry","2015","54","12","5621","5623","10.1021/acs.inorgchem.5b00889","","","0.71073","MoKα","","0.1484","0.0856","","","0.1322","0.1484","","","","","","1.013","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4343250","18.4415","0.001","13.8306","0.0007","22.1185","0.0013","90","","104.15","0.004","90","","5470.3","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 K N10 O19 Ru2 Tb -","- C45 H56 K N10 O19 Ru2 Tb -","- C180 H224 K4 N40 O76 Ru8 Tb4 -","4","1","","Marinescu, Gabriela; Maxim, Catalin; Clérac, Rodolphe; Andruh, Marius","[Ru(III)(valen)(CN)2](-): a New Building Block To Design 4d-4f Heterometallic Complexes.","Inorganic chemistry","2015","54","12","5621","5623","10.1021/acs.inorgchem.5b00889","","","0.71073","MoKα","","0.1155","0.0462","","","0.0759","0.0919","","","","","","0.805","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4343251","9.1512","0.0003","16.8978","0.0005","22.2872","0.0006","90","","91.732","0.001","90","","3444.81","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tc78","","","- C34 H30 F6 Fe N6 O6 S2 -","- C34 H30 F6 Fe N6 O6 S2 -","- C136 H120 F24 Fe4 N24 O24 S8 -","4","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0545","0.0471","","","0.134","0.141","","","","","","1.075","","","","has coordinates","140088","2020-10-21","18:00:00",""
"4343252","20.93","0.011","12.259","0.003","12.759","0.002","90","","119.82","0.02","90","","2840.2","1.8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","tc32","","","- C29 H27 B2 F8 Fe N5 O S0 -","- C29 H27 B2 F8 Fe N5 O -","- C116 H108 B8 F32 Fe4 N20 O4 -","4","0.5","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0297","0.0274","","","0.0704","0.0723","","","","","","1.063","","","","has coordinates","140088","2020-10-21","18:00:00",""
"4343253","11.9538","0.0012","12.0106","0.0012","13.8708","0.0014","110.228","0.002","105.795","0.002","104.259","0.002","1665.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tc27","","","- C30 H34 B2 F11 Fe N5 O5 -","- C30 H34 B2 F11 Fe N5 O5 -","- C60 H68 B4 F22 Fe2 N10 O10 -","2","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0377","0.0339","","","0.0835","0.0872","","","","","","1.071","","","","has coordinates","140088","2020-10-21","18:00:00",""
"4343254","11.7951","0.0007","19.078","0.0011","20.3135","0.0012","78.716","0.0013","88.048","0.0012","74.808","0.0012","4325.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tc72","","","- C38 H38.5 F6 Fe N8 O6.25 S2 -","- C38 H38.5 F6 Fe N8 O6.25 S2 -","- C152 H154 F24 Fe4 N32 O25 S8 -","4","2","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0577","0.0457","","","0.1128","0.1222","","","","","","1.056","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343255","9.255","","16.415","0.001","23.048","0.001","90","","92.887","0.001","90","","3497","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tc74","","","- C34 H27 F9 Fe N6 O6 S2 -","- C34 H27 F9 Fe N6 O6 S2 -","- C136 H108 F36 Fe4 N24 O24 S8 -","4","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0382","0.0319","","","0.0781","0.0829","","","","","","1.044","","","","has coordinates","140088","2020-10-21","18:00:00",""
"4343256","9.187","","13.544","0.001","12.432","0.001","90","","95.747","0.002","90","","1539.12","0.17","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","tc75","","","- C15 H17.5 B F4 Fe0.5 N2.5 O2 -","- C15 H17.5 B F4 Fe0.5 N2.5 O2 -","- C60 H70 B4 F16 Fe2 N10 O8 -","4","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0661","0.0486","","","0.114","0.1245","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343257","12.477","0.001","15.802","0.001","19.94","0.001","90","","90.898","0.001","90","","3930.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tc73","","","- C37 H34 F6 Fe N8 O6 S2 -","- C37 H34 F6 Fe N8 O6 S2 -","- C148 H136 F24 Fe4 N32 O24 S8 -","4","1","","Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.","Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.","Inorganic chemistry","2015","54","12","5879","5887","10.1021/acs.inorgchem.5b00658","","","0.71073","MoKα","","0.0422","0.0363","","","0.0895","0.0944","","","","","","1.054","","","","has coordinates","140088","2020-10-21","18:00:00",""
"4343258","10.8471","0.0005","6.3389","0.0003","16.8839","0.0008","90","","105.592","0.005","90","","1118.19","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co3 O14 -","- C22 H20 Co3 O14 -","- C44 H40 Co6 O28 -","2","0.5","","Ren, Hai-Yun; Yao, Ru-Xin; Zhang, Xian-Ming","Enhanced Catalysis Activity in a Coordinatively Unsaturated Cobalt-MOF Generated via Single-Crystal-to-Single-Crystal Dehydration.","Inorganic chemistry","2015","54","13","6312","6318","10.1021/acs.inorgchem.5b00606","","","0.71073","MoKα","","0.0892","0.0573","","","0.1549","0.2064","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343259","10.769","0.003","5.837","0.0019","17.706","0.005","90","","102.14","0.03","90","","1088.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Co3 O10 -","- C22 H10 Co3 O10 -","- C44 H20 Co6 O20 -","2","0.5","","Ren, Hai-Yun; Yao, Ru-Xin; Zhang, Xian-Ming","Enhanced Catalysis Activity in a Coordinatively Unsaturated Cobalt-MOF Generated via Single-Crystal-to-Single-Crystal Dehydration.","Inorganic chemistry","2015","54","13","6312","6318","10.1021/acs.inorgchem.5b00606","","","0.71073","MoKα","","0.1884","0.079","","","0.1548","0.1752","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343260","17.8632","0.0006","10.6729","0.0003","8.4569","0.0003","90","","98.128","0.003","90","","1596.13","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F K5 Mo4 O14 -","- F K5 Mo4 O14 -","- F4 K20 Mo16 O56 -","4","0.5","","Gong, Pifu; Luo, Siyang; Kang, Lei; Jiang, Xingxing; Xu, Jing; Zhang, Guochun; Lin, Zheshuai; Wu, Yicheng; Chen, Chuangtian","K5Mo4O14F: A Novel Fluorinated Polyoxomolybdate and Its Structural Stability.","Inorganic chemistry","2015","54","13","6066","6068","10.1021/acs.inorgchem.5b00643","","","0.71073","MoKα","","0.0336","0.0305","","","0.072","0.0742","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343261","11.2133","0.0004","11.2133","0.0004","9.7723","0.0003","90","","90","","90","","1228.75","0.07","100","","100","","","","","","","","","3","I 41/a","-I 4ad","88","","Manganese (II) Tantalate","","- Mn3 O8 Ta2 -","- Mn3 O8 Ta2 -","- Mn24 O64 Ta16 -","8","","","Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C.; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8.","Inorganic chemistry","2015","54","13","6513","6519","10.1021/acs.inorgchem.5b00853","","","0.71073","MoKα","","0.0421","0.0421","","","0.1133","0.1133","","","","","","1.3","","","","has coordinates","141346","2020-10-21","18:00:00",""
"4343262","12.507","0.005","16.903","0.005","16.26","0.005","90","0.005","101.445","0.005","90","0.005","3369","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 N O P2 Ru -","- C33 H59 N O P2 Ru -","- C132 H236 N4 O4 P8 Ru4 -","4","1","","Wambach, Truman C.; Fryzuk, Michael D.","Ruthenium Complexes Stabilized by Bidentate Enamido-Phosphine Ligands: Aspects of Cooperative H2 Activation.","Inorganic chemistry","2015","54","12","5888","5896","10.1021/acs.inorgchem.5b00672","","","0.71073","MoKα","","0.0307","0.0228","","","0.0507","0.0541","","","","","","1.034","","","","has coordinates","140100","2020-10-21","18:00:00",""
"4343263","11.4257","0.0012","11.6638","0.0012","15.9264","0.0017","83.077","0.002","72.81","0.002","63.467","0.002","1813.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H63 N O P2 Ru -","- C35 H63 N O P2 Ru -","- C70 H126 N2 O2 P4 Ru2 -","2","1","","Wambach, Truman C.; Fryzuk, Michael D.","Ruthenium Complexes Stabilized by Bidentate Enamido-Phosphine Ligands: Aspects of Cooperative H2 Activation.","Inorganic chemistry","2015","54","12","5888","5896","10.1021/acs.inorgchem.5b00672","","","0.71073","MoKα","","0.0322","0.0279","","","0.0667","0.0687","","","","","","1.04","","","","has coordinates","140100","2020-10-21","18:00:00",""
"4343264","21.5581","0.0008","9.707","0.0004","33.0071","0.0012","90","","90.028","0.002","90","","6907.2","0.5","90.15","","90.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H61 N O P2 Ru -","- C33 H61 N O P2 Ru -","- C264 H488 N8 O8 P16 Ru8 -","8","2","","Wambach, Truman C.; Fryzuk, Michael D.","Ruthenium Complexes Stabilized by Bidentate Enamido-Phosphine Ligands: Aspects of Cooperative H2 Activation.","Inorganic chemistry","2015","54","12","5888","5896","10.1021/acs.inorgchem.5b00672","","","0.71073","MoKα","","0.0846","0.0566","","","0.1253","0.1359","","","","","","1.124","","","","has coordinates","140100","2020-10-21","18:00:00",""
"4343265","19.1035","0.0009","9.543","0.0004","17.6708","0.0008","90","","90","","90","","3221.5","0.3","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H30 Mn3 N2 O22 -","- C24 H30 Mn3 N2 O22 -","- C96 H120 Mn12 N8 O88 -","4","0.5","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0353","0.0284","","","0.0731","0.0773","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343266","13.795","0.002","13.795","0.002","17.743","0.006","90","","90","","90","","3376.5","1.3","296","2","296","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C10 H2 Cd O8 -","- C10 H2 Cd O8 -","- C80 H16 Cd8 O64 -","8","0.5","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0548","0.0425","","","0.1535","0.1634","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343267","20.745","0.002","8.3255","0.0008","17.3435","0.0017","90","","90","","90","","2995.4","0.5","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C24 H22 Cd3 N2 O17 -","- C24 H22 Cd3 N2 O17 -","- C96 H88 Cd12 N8 O68 -","4","0.25","","Su, Jian; Yao, Liudi; Zhao, Meng; Wang, Hui; Zhang, Qiong; Cheng, Longjiu; Zhang, Jun; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Structural Induction Effect of a Zwitterion Pyridiniumolate for Metal-Organic Frameworks.","Inorganic chemistry","2015","54","13","6169","6175","10.1021/acs.inorgchem.5b00180","","","0.71073","MoKα","","0.0528","0.0448","","","0.1903","0.1956","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343268","15.1475","0.0003","15.3384","0.0004","16.9653","0.0004","90","","90","","90","","3941.69","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H33 Mo N O P2 -","- C17 H33 Mo N O P2 -","- C136 H264 Mo8 N8 O8 P16 -","8","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0317","0.0223","","","0.0531","0.0554","","","","","","1.056","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343269","9.5859","0.0013","12.2921","0.0018","13.7379","0.0019","67.165","0.006","80.541","0.006","70.222","0.006","1402.9","0.3","100","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 Mo N O P2 -","- C33 H33 Mo N O P2 -","- C66 H66 Mo2 N2 O2 P4 -","2","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0278","0.0251","","","0.063","0.0647","","","","","","0.98","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343270","12.675","0.0011","14.7018","0.0013","16.5713","0.0014","66.032","0.004","70.298","0.004","86.114","0.004","2647.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H44 B F24 Mo N O P2 -","- C49 H44 B F24 Mo N O P2 -","- C98 H88 B2 F48 Mo2 N2 O2 P4 -","2","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0454","0.0384","","","0.0956","0.0993","","","","","","1.064","","","","has coordinates,has disorder","152789","2020-10-21","18:00:00",""
"4343271","12.8744","0.0009","17.2752","0.0013","18.0432","0.0014","64.602","0.004","87.969","0.004","83.355","0.003","3600.3","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C75.91 H52.82 B F25.98 Mo N O P2 -","- C75.872 H52.843 B F25.965 Mo N O P2 -","- C151.744 H105.686 B2 F51.93 Mo2 N2 O2 P4 -","2","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0941","0.0596","","","0.153","0.1728","","","","","","1.059","","","","has coordinates,has disorder","152789","2020-10-21","18:00:00",""
"4343272","27.6682","0.0019","11.4434","0.0007","17.0104","0.0013","90","","126.648","0.006","90","","4321.1","0.6","100","","100","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C41 H34 B F20 Mo N O P2 -","- C41 H34 B F20 Mo N O P2 -","- C164 H136 B4 F80 Mo4 N4 O4 P8 -","4","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0477","0.0368","","","0.0789","0.0832","","","","","","1.022","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343273","14.6276","0.0005","10.7073","0.0003","18.4288","0.0006","90","","108.534","0.002","90","","2736.66","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Mo O P2 -","- C33 H32 Mo O P2 -","- C132 H128 Mo4 O4 P8 -","4","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0487","0.0371","","","0.0904","0.0968","","","","","","1.06","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343274","11.787","0.0006","17.0199","0.0008","28.9129","0.0013","90","","93.598","0.002","90","","5788.9","0.5","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H37 B Cl4 F20 Mo O P2 -","- C59 H37 B Cl4 F20 Mo O P2 -","- C236 H148 B4 Cl16 F80 Mo4 O4 P8 -","4","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0988","0.0591","","","0.1461","0.1649","","","","","","1.038","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343275","16.2226","0.0003","16.2226","0.0003","14.8493","0.0005","90","","90","","90","","3907.93","0.17","100","2","100","2","","","","","","","","7","I -4 c 2","I -4 -2c","120","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) ditetrafluoroborate tetrakis-nitromethane solvate","","- C28 H34 B2 F8 Fe N14 O8 -","- C28 H34 B2 F8 Fe N14 O8 -","- C112 H136 B8 F32 Fe4 N56 O32 -","4","0.25","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","0.71073","MoKα","","0.0884","0.0814","","","0.1915","0.1951","","","","","","1.159","","","","has coordinates,has disorder","141322","2020-10-21","18:00:00",""
"4343276","16.3995","0.0003","16.3995","0.0003","14.934","0.0007","90","","90","","90","","4016.4","0.2","150","2","150","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) diperchlorate tetrakis-nitromethane solvate","","- C28 H34 Cl2 Fe N14 O16 -","- C28 H34 Cl2 Fe N14 O16 -","- C112 H136 Cl8 Fe4 N56 O64 -","4","0.25","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","0.71073","MoKα","","0.0601","0.0587","","","0.14","0.1406","","","","","","1.184","","","","has coordinates,has disorder","141322","2020-10-21","18:00:00",""
"4343277","8.5607","0.0008","8.6545","0.0006","39.632","0.003","90","","90.812","0.008","90","","2936","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) diperchlorate","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C96 H88 Cl8 Fe4 N40 O32 -","4","1","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","1.54184","CuKα","","0.1425","0.0981","","","0.222","0.2491","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343278","8.4719","0.0003","8.5349","0.0003","39.1597","0.0012","90","","91.01","0.003","90","","2831.07","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) diperchlorate","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C96 H88 Cl8 Fe4 N40 O32 -","4","1","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","1.54184","CuKα","","0.0379","0.0334","","","0.0827","0.0855","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343279","22.1424","0.0011","10.99","0.0004","15.2542","0.0006","90","","123.231","0.003","90","","3105","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) di-hexafluorophosphate","","- C24 H22 F12 Fe N10 P2 -","- C24 H22 F12 Fe N10 P2 -","- C96 H88 F48 Fe4 N40 P8 -","4","0.5","","Kershaw Cook, Laurence J.; Thorp-Greenwood, Flora L; Comyn, Tim P.; Cespedes, Oscar; Chastanet, Guillaume; Halcrow, Malcolm A.","Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn-Teller Distortion.","Inorganic chemistry","2015","54","13","6319","6330","10.1021/acs.inorgchem.5b00614","","","0.71073","MoKα","","0.0487","0.0375","","","0.0797","0.0868","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343280","12.6474","0.0006","13.2743","0.0006","16.6488","0.0008","76.0169","0.0008","85.966","0.0008","84.3071","0.0009","2695.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H75 Br1.77 Fe2.91 N8.2 -","- C57.02 H75.06 Br1.77 Fe2.91 N8.2 -","- C114.04 H150.12 Br3.54 Fe5.82 N16.4 -","2","1","","Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.","Nitride-Bridged Triiron Complex and Its Relevance to Dinitrogen Activation.","Inorganic chemistry","2015","54","19","9282","9289","10.1021/acs.inorgchem.5b00825","","","0.71073","MoKα","","0.1014","0.0567","","","0.1363","0.1513","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343281","16.114","0.0007","20.3869","0.0009","17.0285","0.0008","90","","91.3079","0.0011","90","","5592.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H88 Cl Ga N2 O2 -","- C58 H88 Cl Ga N2 O2 -","- C232 H352 Cl4 Ga4 N8 O8 -","4","1","","Piskunov, Alexander V.; Ershova, Irina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Indirect Magnetic Exchange between o-Iminosemiquinonate Ligands Controlled by Apical Substituent in Pentacoordinated Gallium(III) Complexes.","Inorganic chemistry","2015","54","13","6090","6099","10.1021/acs.inorgchem.5b00520","","","0.71073","MoKα","","0.0547","0.0412","","","0.1075","0.1134","","","","","","1.06","","","","has coordinates,has disorder","141339","2020-10-21","18:00:00",""
"4343282","20.0651","0.0012","21.6846","0.0012","25.8774","0.0015","90","","106.41","0.0011","90","","10800.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H81 Ga I N2 O2 -","- C55 H81 Ga I N2 O2 -","- C440 H648 Ga8 I8 N16 O16 -","8","2","","Piskunov, Alexander V.; Ershova, Irina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Indirect Magnetic Exchange between o-Iminosemiquinonate Ligands Controlled by Apical Substituent in Pentacoordinated Gallium(III) Complexes.","Inorganic chemistry","2015","54","13","6090","6099","10.1021/acs.inorgchem.5b00520","","","0.71073","MoKα","","0.0496","0.0381","","","0.0983","0.1036","","","","","","1.054","","","","has coordinates,has disorder","141339","2020-10-21","18:00:00",""
"4343283","12.60906","0.00016","22.9041","0.0002","18.84609","0.00019","90","","90.0528","0.0011","90","","5442.73","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55.5 H80 Ga N3 O2 S -","- C55.5 H80 Ga N3 O2 S -","- C222 H320 Ga4 N12 O8 S4 -","4","2","","Piskunov, Alexander V.; Ershova, Irina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Indirect Magnetic Exchange between o-Iminosemiquinonate Ligands Controlled by Apical Substituent in Pentacoordinated Gallium(III) Complexes.","Inorganic chemistry","2015","54","13","6090","6099","10.1021/acs.inorgchem.5b00520","","","0.71073","MoKα","","0.0515","0.041","","","0.091","0.0954","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343284","14.028","0.0004","29.3136","0.0008","7.3395","0.0002","90","","90","","90","","3018.08","0.14","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","Cobalt Carboxylate","","","- C15 H12.5 Co N2.5 O6 -","- C15 H12.5 Co N2.5 O6 -","- C120 H100 Co8 N20 O48 -","8","","","Singha, Debal Kanti; Mahata, Partha","Highly Selective and Sensitive Luminescence Turn-On-Based Sensing of Al(3+) Ions in Aqueous Medium Using a MOF with Free Functional Sites.","Inorganic chemistry","2015","54","13","6373","6379","10.1021/acs.inorgchem.5b00688","","","0.71073","MoKα","","0.0372","0.0319","","","0.0798","0.0948","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343285","10.0076","0.0017","13.069","0.002","13.828","0.002","66.593","0.003","81.005","0.003","69.513","0.003","1554.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N4 O2 S4 V -","- C28 H36 N4 O2 S4 V -","- C56 H72 N8 O4 S8 V2 -","2","1","","Kundu, Sanchita; Mondal, Dhrubajyoti; Bhattacharya, Kisholoy; Endo, Akira; Sanna, Daniele; Garribba, Eugenio; Chaudhury, Muktimoy","Nonoxido Vanadium(IV) Compounds Involving Dithiocarbazate-Based Tridentate ONS Ligands: Synthesis, Electronic and Molecular Structure, Spectroscopic and Redox Properties.","Inorganic chemistry","2015","54","13","6203","6215","10.1021/acs.inorgchem.5b00359","","","0.71073","MoKα","","0.0433","0.0381","","","0.1283","0.1355","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343286","12.1166","0.0011","18.6745","0.0016","13.8081","0.0013","90","","92.784","0.005","90","","3120.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N4 O4 S4 V -","- C28 H36 N4 O4 S4 V -","- C112 H144 N16 O16 S16 V4 -","4","1","","Kundu, Sanchita; Mondal, Dhrubajyoti; Bhattacharya, Kisholoy; Endo, Akira; Sanna, Daniele; Garribba, Eugenio; Chaudhury, Muktimoy","Nonoxido Vanadium(IV) Compounds Involving Dithiocarbazate-Based Tridentate ONS Ligands: Synthesis, Electronic and Molecular Structure, Spectroscopic and Redox Properties.","Inorganic chemistry","2015","54","13","6203","6215","10.1021/acs.inorgchem.5b00359","","","0.71073","MoKα","","0.0778","0.0557","","","0.1481","0.1778","","","","","","1.105","","","","has coordinates","141320","2020-10-21","18:00:00",""
"4343287","35.7157","0.0006","39.248","0.0005","45.7355","0.0007","90","","90","","90","","64110.6","1.7","150","0.2","150","0.2","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 Dy6 N8 O48 P6 -","- C84 H174 Cu6 Dy6 N8 O48 P6 -","- C1344 H2784 Cu96 Dy96 N128 O768 P96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.0912","0.0553","","","0.1323","0.1552","","","","","","1.058","","","","has coordinates,has disorder","139086","2020-10-21","18:00:00",""
"4343288","20.5114","0.0003","20.5114","0.0003","32.7097","0.0005","90","","90","","120","","11917.8","0.3","150.1","0.1","150.1","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Er9 N4 O55 P6 -","- C107 H201 Cu4 Er9 N4 O55 P6 -","- C321 H602.999 Cu12 Er27 N12 O165 P18 -","3","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.0374","0.0324","","","0.0632","0.0673","","","","","","1.117","","","","has coordinates,has disorder","139087","2020-10-21","18:00:00",""
"4343289","20.5695","0.0003","20.5695","0.0003","33.1977","0.0005","90","","90","","120","","12164.3","0.3","150.1","0.1","150.1","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Gd9 N4 O55 P6 -","- C107 H201 Cu4 Gd9 N4 O55 P6 -","- C321 H602.999 Cu12 Gd27 N12 O165 P18 -","3","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.0499","0.0383","","","0.0779","0.0848","","","","","","1.031","","","","has coordinates,has disorder","139088","2020-10-21","18:00:00",""
"4343290","35.8531","0.0005","39.1902","0.0004","45.8138","0.0005","90","","90","","90","","64372.5","1.3","150","","150","","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 N8 O48 P6 Tb6 -","- C84 H174 Cu6 N8 O48 P6 Tb6 -","- C1344 H2784 Cu96 N128 O768 P96 Tb96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","x-ray","0.71073","MoKα","","0.0881","0.0551","","","0.1355","0.1585","","","","","","1.051","","","","has coordinates,has disorder","139089","2020-10-21","18:00:00",""
"4343291","20.6225","0.0009","20.6225","0.0009","32.86","0.0019","90","","90","","120","","12102.7","1","150","0.1","150","0.1","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Ho9 N4 O55 P6 -","- C107 H201 Cu4 Ho9 N4 O55 P6 -","- C321 H602.999 Cu12 Ho27 N12 O165 P18 -","3","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","x-ray","0.71073","MoKα","","0.0717","0.0617","","","0.1453","0.1555","","","","","","1.05","","","","has coordinates,has disorder","139090","2020-10-21","18:00:00",""
"4343292","20.5015","0.0005","20.5015","0.0005","32.8593","0.0014","90","","90","","120","","11960.8","0.7","100.15","","100.15","","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 N4 O55 P6 Tb9 -","- C107 H201 Cu4 N4 O55 P6 Tb9 -","- C321 H602.999 Cu12 N12 O165 P18 Tb27 -","3","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.6889","","","0.0589","0.0499","","","0.1029","0.1099","","","","","","1.022","","","","has coordinates,has disorder","139091","2020-10-21","18:00:00",""
"4343293","20.5394","0.0004","20.5394","0.0004","32.7197","0.0007","90","","90","","120","","11954.1","0.4","100","2","100.15","","","","","","","","","7","R 3","R 3","146","","","","- C107 H201 Cu4 Dy9 N4 O55 P6 -","- C107 H201 Cu4 Dy9 N4 O55 P6 -","- C321 H602.999 Cu12 Dy27 N12 O165 P18 -","3","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.0587","0.0454","","","0.084","0.0903","","","","","","1.087","","","","has coordinates","139092","2020-10-21","18:00:00",""
"4343294","35.8449","0.0003","39.1793","0.0004","45.6982","0.0004","90","","90","","90","","64177.6","1","100.15","","100.15","","","","","","","","","7","F d d d","-F 2uv 2vw","70","","","","- C84 H174 Cu6 Gd6 N8 O48 P6 -","- C84 H174 Cu6 Gd6 N8 O48 P6 -","- C1344 H2784 Cu96 Gd96 N128 O768 P96 -","16","","","Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.","Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.","Inorganic chemistry","2015","","","150610150327001","","10.1021/acs.inorgchem.5b00649","","","0.71073","MoKα","","0.067","0.058","","","0.1357","0.1403","","","","","","1.12","","","","has coordinates,has disorder","139093","2020-10-21","18:00:00",""
"4343295","8.7916","0.0004","21.7084","0.0009","18.257","0.0008","90","","96.365","0.001","90","","3462.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Cl N2 Rh -","- C38 H51 Cl N2 Rh -","- C152 H204 Cl4 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0389","0.0303","","","0.0768","0.0803","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343296","9.6544","0.0005","16.1312","0.0009","18.5241","0.001","89.276","0.002","86.076","0.002","89.16","0.002","2877.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H37 Cl2 N2 Rh -","- C31.5 H37 Cl2 N2 Rh -","- C126 H148 Cl8 N8 Rh4 -","4","2","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0651","0.0455","","","0.1159","0.123","","","","","","1.054","","","","has coordinates","169182","2020-10-21","18:00:00",""
"4343297","22.0183","0.001","12.7548","0.001","22.0821","0.0013","90","","99.187","0.002","90","","6122","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H48 B F24 N2 Rh -","- C63 H48 B F24 N2 Rh -","- C252 H192 B4 F96 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0544","0.0398","","","0.0837","0.0893","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343298","12.2034","0.0004","13.7463","0.0005","20.1742","0.0006","92.312","0.001","105.548","0.001","102.094","0.001","3171.28","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H53 B F24 N3 Rh -","- C65 H53 B F24 N3 Rh -","- C130 H106 B2 F48 N6 Rh2 -","2","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.046","0.0381","","","0.1009","0.1044","","","","","","1.078","","","","has coordinates","141331","2020-10-21","18:00:00",""
"4343299","22.0782","0.0008","12.7398","0.0004","22.0446","0.0008","90","","97.843","0.001","90","","6142.5","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H47 B F25 N2 Rh -","- C63 H47 B F25 N2 Rh -","- C252 H188 B4 F100 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0397","0.0335","","","0.0829","0.0855","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343300","13.1948","0.0005","15.2656","0.0005","18.6573","0.0007","91.247","0.0009","96.662","0.001","102.135","0.001","3645.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H65 B F24 N3 Rh -","- C76 H65 B F24 N3 Rh -","- C152 H130 B2 F48 N6 Rh2 -","2","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0733","0.0534","","","0.1371","0.1513","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343301","20.5077","0.0013","17.9263","0.0011","21.4755","0.0012","90","","115.747","0.001","90","","7111.2","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H58 B Cl2 F24 N2 O2 Rh -","- C70 H58 B Cl2 F24 N2 O2 Rh -","- C280 H232 B4 Cl8 F96 N8 O8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.124","0.0639","","","0.162","0.2053","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343302","26.0513","0.0012","17.5259","0.0007","13.7404","0.0006","90","","90","","90","","6273.5","0.5","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C65 H48 B F24 N2 O2 Rh -","- C65 H48 B F24 N2 O2 Rh -","- C260 H192 B4 F96 N8 O8 Rh4 -","4","0.5","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.0601","0.0448","","","0.1118","0.1177","","","","","","1.052","","","","has coordinates,has disorder","141331","2020-10-21","18:00:00",""
"4343303","12.1424","0.0007","28.8265","0.0015","17.5949","0.0009","90","","90.497","0.003","90","","6158.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 B F24 N2 Rh -","- C63 H50 B F24 N2 Rh -","- C252 H200 B4 F96 N8 Rh4 -","4","1","","Zamorano, Ana; Rendón, Nuria; Valpuesta, José E V; Álvarez, Eleuterio; Carmona, Ernesto","Synthesis and Reactivity toward H2 of (η(5)-C5Me5)Rh(III) Complexes with Bulky Aminopyridinate Ligands.","Inorganic chemistry","2015","54","13","6573","6581","10.1021/acs.inorgchem.5b00905","","","0.71073","MoKα","","0.1181","0.0623","","","0.1479","0.2177","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343304","16.1241","0.0008","16.0913","0.0008","23.8767","0.0013","90","","93.145","0.002","90","","6185.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H112 N3 O17 V3 -","- C48 H111 N3 O17 V3 -","- C192 H444 N12 O68 V12 -","4","1","","Krivosudský, Lukáš; Schwendt, Peter; Gyepes, Róbert","Unveiling of a Trinuclear Cyclic Peroxidovanadate: A Potential Oxidant in Vanadium-Catalyzed Reactions.","Inorganic chemistry","2015","54","13","6306","6311","10.1021/acs.inorgchem.5b00600","","","0.71073","MoKα","","0.1289","0.0605","","","0.1142","0.142","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343305","12.1022","0.001","11.2109","0.0009","13.1539","0.0011","90","","92.01","0.001","90","","1783.6","0.3","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl2 Cu2 N P -","- C17 H14 Cl2 Cu2 N P -","- C68 H56 Cl8 Cu8 N4 P4 -","4","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0453","0.0442","","","0.1144","0.115","","","","","","1","","","","has coordinates","154597","2020-10-21","18:00:00",""
"4343306","9.3487","0.0007","10.0979","0.0007","11.1299","0.0008","103.598","0.001","93.237","0.001","95.76","0.001","1012.59","0.13","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl2 Cu2 N2 O0.5 P -","- C19 H12 Cl2 Cu2 N2 O0.5 P -","- C38 H24 Cl4 Cu4 N4 O P2 -","2","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0351","0.0292","","","0.0726","0.0753","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343307","11.873","0.0006","11.6662","0.0006","13.3924","0.0007","90","","90.3793","0.0009","90","","1854.98","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Br4 Cu4 N2 P2 -","- C34 H28 Br4 Cu4 N2 P2 -","- C68 H56 Br8 Cu8 N4 P4 -","2","0.5","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0436","0.0329","","","0.0764","0.0799","","","","","","1","","","","has coordinates","154597","2020-10-21","18:00:00",""
"4343308","10.2258","0.0017","11.0279","0.0019","19.447","0.003","91.88","0.003","98.999","0.002","103.505","0.003","2100.6","0.6","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Br4 Cl4 Cu4 N2 P2 -","- C36 H32 Br4 Cl4 Cu4 N2 P2 -","- C72 H64 Br8 Cl8 Cu8 N4 P4 -","2","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0667","0.0381","","","0.0867","0.0978","","","","","","1","","","","has coordinates,has disorder","154597","2020-10-21","18:00:00",""
"4343309","9.964","0.0008","14.5901","0.0012","15.9328","0.0013","79.2801","0.0014","85.9414","0.0014","72.0265","0.0013","2164.5","0.3","100","","100.45","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br4 Cl6 Cu4 N2 P2 -","- C36 H30 Br4 Cl6 Cu4 N2 P2 -","- C72 H60 Br8 Cl12 Cu8 N4 P4 -","2","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0629","0.0401","","","0.0909","0.1001","","","","","","1","","","","has coordinates","154597","2020-10-21","18:00:00",""
"4343310","7.3568","0.0017","10.471","0.003","13.33","0.003","82.691","0.004","83.331","0.004","84.702","0.004","1008.5","0.4","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Br4 Cu4 N4 P2 -","- C38 H34 Br4 Cu4 N4 P2 -","- C38 H34 Br4 Cu4 N4 P2 -","1","0.5","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.0646","0.052","","","0.1371","0.1447","","","","","","1","","","","has coordinates","154597","2020-10-21","18:00:00",""
"4343311","16.609","0.0007","13.7822","0.0006","16.3524","0.0007","90","","99.8182","0.0008","90","","3688.4","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cu4 I4 N2 P2 -","- C34 H28 Cu4 I4 N2 P2 -","- C136 H112 Cu16 I16 N8 P8 -","4","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.052","0.0345","","","0.0913","0.0975","","","","","","1","","","","has coordinates","154597","2020-10-21","18:00:00",""
"4343312","36.414","0.003","14.0071","0.0012","16.0994","0.0013","90","","108.94","0.001","90","","7767","1.1","100","2","99.65","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H29 Cl Cu4 I4 N2 P2 -","- C34.5 H29 Cl Cu4 I4 N2 P2 -","- C276 H232 Cl8 Cu32 I32 N16 P16 -","8","1","","Chen, Kelly; Shearer, Jason; Catalano, Vincent J.","Subtle Modulation of Cu4X4L2 Phosphine Cluster Cores Leads to Changes in Luminescence.","Inorganic chemistry","2015","54","13","6245","6256","10.1021/acs.inorgchem.5b00443","","","0.71073","MoKα","","0.075","0.052","","","0.1572","0.168","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343313","9.2567","0.0009","12.87","0.0011","14.0384","0.0013","89.777","0.003","71.683","0.003","89.002","0.003","1587.5","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 N4 O4 P2 S2 -","- C28 H38 N4 O4 P2 S2 -","- C56 H76 N8 O8 P4 S4 -","2","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.1007","0.0885","","","0.2403","0.247","","","","","","1.17","","","","has coordinates","141335","2020-10-21","18:00:00",""
"4343314","28.954","0.001","28.954","0.001","8.8123","0.0004","90","","90","","120","","6397.9","0.4","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H26.67 N4 O2.33 P2 Se2 -","- C22 H26 N4 O2.33 P2 Se2 -","- C198 H234 N36 O20.97 P18 Se18 -","9","0.5","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.0925","0.0681","","","0.1967","0.2086","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343315","8.3283","0.0006","8.4922","0.0007","11.9547","0.001","105.125","0.002","97.897","0.002","102.816","0.002","778.57","0.11","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl2 N2 P2 S2 -","- C8 H18 Cl2 N2 P2 S2 -","- C16 H36 Cl4 N4 P4 S4 -","2","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","","","0.0476","0.0334","","","0.0786","0.0868","","","","","","1.034","","","","has coordinates,has disorder","141335","2020-10-21","18:00:00",""
"4343316","10.1792","0.0004","11.1382","0.0005","20.0312","0.001","90","","90","","90","","2271.1","0.18","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O2 P2 -","- C22 H26 N4 O2 P2 -","- C88 H104 N16 O8 P8 -","4","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.0346","0.0304","","","0.0714","0.0773","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343317","17.3148","0.0009","16.5674","0.0008","9.0063","0.0005","90","","99.046","0.002","90","","2551.4","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O2 P2 Se2 -","- C22 H26 N4 O2 P2 Se2 -","- C88 H104 N16 O8 P8 Se8 -","4","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.0713","0.0406","","","0.0937","0.1164","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343318","8.66","0.003","8.684","0.003","17.225","0.005","88.33","0.012","89.43","0.011","70.346","0.012","1219.4","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N4 O2 P2 S2 -","- C22 H26 N4 O2 P2 S2 -","- C44 H52 N8 O4 P4 S4 -","2","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","","","0.1536","0.1349","","","0.3626","0.3719","","","","","","1.151","","","","has coordinates","141335","2020-10-21","18:00:00",""
"4343319","15.2958","0.0005","16.4819","0.0006","19.9118","0.0008","90","","90","","90","","5019.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(TBDAP)(NO3)](NO3)","","","- C22 H34 N6 Ni O7 -","- C22 H34 N6 Ni O7 -","- C176 H272 N48 Ni8 O56 -","8","1","","Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung","Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes.","Inorganic chemistry","2015","54","13","6176","6183","10.1021/acs.inorgchem.5b00294","","","0.71073","MoKa","","0.0477","0.0324","","","0.1037","0.1239","","","","","","1.001","","","","has coordinates","141344","2020-10-21","18:00:00",""
"4343320","10.6798","0.0002","11.8168","0.0002","12.9559","0.0002","64.104","0.001","82.133","0.001","78.981","0.001","1441.11","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ni(II)(CHDAP)](NO3)2","","","- C27 H40 N6 Ni O7 -","- C27 H40 N6 Ni O7 -","- C54 H80 N12 Ni2 O14 -","2","1","","Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung","Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes.","Inorganic chemistry","2015","54","13","6176","6183","10.1021/acs.inorgchem.5b00294","","","0.71073","","","0.0274","0.0261","","","0.0702","0.0713","","","","","","1.037","","","","has coordinates","171494","2020-10-21","18:00:00",""
"4343321","30.9602","0.0006","12.8498","0.0002","13.7307","0.0002","90","","105.759","0.001","90","","5257.2","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(III)(TBDAP)(O2)](ClO4)","","","- C22.5 H33 Cl2 N4 Ni O6 -","- C22.5 H33 Cl2 N4 Ni O6 -","- C180 H264 Cl16 N32 Ni8 O48 -","8","1","","Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung","Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes.","Inorganic chemistry","2015","54","13","6176","6183","10.1021/acs.inorgchem.5b00294","","","0.71073","","","0.0464","0.0341","","","0.082","0.0874","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343322","29.784","0.003","29.784","0.003","76.121","0.012","90","","90","","120","","58479","12","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C5 H235 Fe14 N3 Na32 O352 P8 W60 -","- Fe14 Na8.35 O277 P8 W60 -","- Fe84 Na50.1 O1662 P48 W360 -","6","0.333333","","Ibrahim, Masooma; Haider, Ali; Xiang, Yixian; Bassil, Bassem S.; Carey, Akina M.; Rullik, Lisa; Jameson, Geoffrey B.; Doungmene, Floriant; Mbomekallé, Israël M; Oliveira, Pedro de; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Tetradecanuclear Iron(III)-Oxo Nanoclusters Stabilized by Trilacunary Heteropolyanions.","Inorganic chemistry","2015","54","13","6136","6146","10.1021/acs.inorgchem.5b00124","","","0.71073","MoKα","","0.1421","0.0832","","","0.2123","0.2778","","","","","","1.002","","","","has coordinates","141321","2020-10-21","18:00:00",""
"4343323","22.7572","0.001","27.833","0.0012","18.7848","0.0008","90","","90","","90","","11898.3","0.9","100","2","100","2","","","","","","","","9","P m m n","-P 2ab 2a","59","","","","- Cs4.5 Fe14 H222 K14 Na9.5 O277 P6 Si4 W36 -","- Cs4 Fe14 K14 Na9 O199 P4 Si4 W36 -","- Cs8 Fe28 K28 Na18 O398 P8 Si8 W72 -","2","","","Ibrahim, Masooma; Haider, Ali; Xiang, Yixian; Bassil, Bassem S.; Carey, Akina M.; Rullik, Lisa; Jameson, Geoffrey B.; Doungmene, Floriant; Mbomekallé, Israël M; Oliveira, Pedro de; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Tetradecanuclear Iron(III)-Oxo Nanoclusters Stabilized by Trilacunary Heteropolyanions.","Inorganic chemistry","2015","54","13","6136","6146","10.1021/acs.inorgchem.5b00124","","","0.71073","MoKα","","0.0674","0.0536","","","0.1236","0.1295","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343324","22.69","0.002","27.943","0.003","18.793","0.002","90","","90","","90","","11915","2","100","2","100","2","","","","","","","","8","P m m n","-P 2ab 2a","59","","","","- Fe14 Ge4 H290 Na24 O311 P6 Rb4 W36 -","- Fe14 Ge4 Na14 O201 P4 Rb7 W36 -","- Fe28 Ge8 Na28 O402 P8 Rb14 W72 -","2","","","Ibrahim, Masooma; Haider, Ali; Xiang, Yixian; Bassil, Bassem S.; Carey, Akina M.; Rullik, Lisa; Jameson, Geoffrey B.; Doungmene, Floriant; Mbomekallé, Israël M; Oliveira, Pedro de; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Tetradecanuclear Iron(III)-Oxo Nanoclusters Stabilized by Trilacunary Heteropolyanions.","Inorganic chemistry","2015","54","13","6136","6146","10.1021/acs.inorgchem.5b00124","","","0.71073","MoKα","","0.0712","0.066","","","0.1596","0.1626","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343325","12.5138","0.0015","19.151","0.002","27.068","0.003","90","","100.25","0.0017","90","","6383.4","1.2","566","2","566","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H97 Mo6 N3 O20 -","- C49 H97 Mo6 N3 O20 -","- C196 H388 Mo24 N12 O80 -","4","1","","Zhu, Li; Chen, Kun; Hao, Jian; Wei, Zheyu; Zhang, Haocheng; Yin, Panchao; Wei, Yongge","Synthesis and Crystallization Behavior of Surfactants with Hexamolybdate as the Polar Headgroup.","Inorganic chemistry","2015","54","13","6075","6077","10.1021/acs.inorgchem.5b00903","","","0.71073","MoKα","","0.0682","0.0517","","","0.1013","0.111","","","","","","1.109","","","","has coordinates,has disorder","141327","2020-10-21","18:00:00",""
"4343326","12.371","0.003","18.924","0.004","30.565","0.006","90","","100.83","0.03","90","","7028","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H105 Mo6 N3 O22 -","- C52 H105 Mo6 N3 O22 -","- C208 H420 Mo24 N12 O88 -","4","1","","Zhu, Li; Chen, Kun; Hao, Jian; Wei, Zheyu; Zhang, Haocheng; Yin, Panchao; Wei, Yongge","Synthesis and Crystallization Behavior of Surfactants with Hexamolybdate as the Polar Headgroup.","Inorganic chemistry","2015","54","13","6075","6077","10.1021/acs.inorgchem.5b00903","","","0.71073","MoKα","","0.1029","0.0844","","","0.1702","0.1814","","","","","","1.124","","","","has coordinates,has disorder","141327","2020-10-21","18:00:00",""
"4343327","11.93","0.002","12.056","0.002","28.428","0.006","78.48","0.03","82.98","0.03","62.29","0.03","3544.9","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H113 Mo6 N3 O20 -","- C57 H113 Mo6 N3 O20 -","- C114 H226 Mo12 N6 O40 -","2","1","","Zhu, Li; Chen, Kun; Hao, Jian; Wei, Zheyu; Zhang, Haocheng; Yin, Panchao; Wei, Yongge","Synthesis and Crystallization Behavior of Surfactants with Hexamolybdate as the Polar Headgroup.","Inorganic chemistry","2015","54","13","6075","6077","10.1021/acs.inorgchem.5b00903","","","0.71073","MoKα","","0.0537","0.0414","","","0.0788","0.0843","","","","","","1.091","","","","has coordinates","141327","2020-10-21","18:00:00",""
"4343328","2.9556","0.0004","2.9778","0.0005","8.0539","0.0014","90","","90","","90","","70.88","0.02","293","2","293","2","","","","","","","","3","P m m m","-P 2 2","47","","","","- Al B4 Cr3 -","- Al B4 Cr3 -","- Al B4 Cr3 -","1","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0242","0.0193","","","0.0469","0.0474","","","","","","0.916","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343329","3.2016","0.0003","13.9059","0.0012","3.102","0.0002","90","","90","","90","","138.1","0.02","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al B W -","- Al B W -","- Al4 B4 W4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0158","0.014","","","0.0294","0.0296","","","","","","1.21","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343330","2.9217","0.0004","10.9991","0.0015","2.8563","0.0005","90","","90","","90","","91.79","0.02","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Fe2 -","- Al B2 Fe2 -","- Al2 B4 Fe4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0219","0.0162","","","0.0352","0.0359","","","","","","0.972","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343331","3.1987","0.0004","13.9218","0.0014","3.0937","0.0003","90","","90","","90","","137.77","0.03","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al B Mo -","- Al B Mo -","- Al4 B4 Mo4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0167","0.0145","","","0.0375","0.0379","","","","","","1.124","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343332","2.9517","0.0004","21.28","0.003","3.013","0.0003","90","","90","","90","","189.25","0.04","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B6 Cr4 -","- Al B6.08 Cr4 -","- Al2 B12.16 Cr8 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0467","0.0257","","","0.0382","0.0413","","","","","","0.797","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343333","3.1418","0.0002","8.4961","0.0006","3.0721","0.0002","90","","90","","90","","82.004","0.009","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- B Mo -","- B0.85 Mo -","- B3.4 Mo4 -","4","0.25","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71069","MoKα","","0.0263","0.0257","","","0.0645","0.0647","","","","","","1.117","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343334","2.9373","0.0003","11.0513","0.0012","2.9675","0.0003","90","","90","","90","","96.328","0.017","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Cr2 -","- Al B2 Cr2 -","- Al2 B4 Cr4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71069","MoKα","","0.015","0.0135","","","0.0302","0.0304","","","","","","1.163","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343335","2.918","0.0004","11.0379","0.0018","2.8932","0.0005","90","","90","","90","","93.19","0.03","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al B2 Mn2 -","- Al B2 Mn2 -","- Al2 B4 Mn4 -","2","0.125","","Ade, Martin; Hillebrecht, Harald","Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases.","Inorganic chemistry","2015","54","13","6122","6135","10.1021/acs.inorgchem.5b00049","","","0.71073","MoKα","","0.0256","0.0229","","","0.0535","0.0542","","","","","","1.056","","","","has coordinates","141347","2020-10-21","18:00:00",""
"4343336","9.4535","0.0005","10.0859","0.0005","12.784","0.0007","90","","92.8469","0.0015","90","","1217.41","0.11","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 N2 O11 Re -","- C18 H33 N2 O11 Re -","- C36 H66 N4 O22 Re2 -","2","1","","Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.","Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.","Inorganic chemistry","2015","54","13","6281","6290","10.1021/acs.inorgchem.5b00584","","","1.54178","CuKα","","0.0158","0.0158","","","0.0404","0.0404","","","","","","1.116","","","","has coordinates,has disorder","141349","2020-10-21","18:00:00",""
"4343337","7.066","0.002","8.141","0.003","16.647","0.007","99.428","0.006","97.203","0.006","109.912","0.004","871.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H19 N Na O13 Re -","- C9 H19 N Na O13 Re -","- C18 H38 N2 Na2 O26 Re2 -","2","1","","Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.","Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.","Inorganic chemistry","2015","54","13","6281","6290","10.1021/acs.inorgchem.5b00584","","","0.71073","MoKα","","0.0274","0.0263","","","0.0673","0.0677","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343338","7.6992","0.0009","10.5716","0.0011","25.726","0.003","90","","96.931","0.004","90","","2078.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N2 O9 Re -","- C17 H27 N2 O9 Re -","- C68 H108 N8 O36 Re4 -","4","1","","Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.","Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.","Inorganic chemistry","2015","54","13","6281","6290","10.1021/acs.inorgchem.5b00584","","","1.54178","CuKα","","0.0372","0.0372","","","0.0974","0.0974","","","","","","1.28","","","","has coordinates,has disorder","141349","2020-10-21","18:00:00",""
"4343339","13.002","0.004","15.807","0.005","17.133","0.007","68.511","0.006","68.084","0.004","78.604","0.004","3032.1","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 N2 Na O10 Re -","- C9 H12 N2 Na O10 Re -","- C72 H96 N16 Na8 O80 Re8 -","8","4","","Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G.","Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent.","Inorganic chemistry","2015","54","13","6281","6290","10.1021/acs.inorgchem.5b00584","","","0.71073","MoKα","","0.0313","0.0241","","","0.058","0.0616","","","","","","1.073","","","","has coordinates","141349","2020-10-21","18:00:00",""
"4343340","14.2454","0.0011","10.6848","0.0008","23.3046","0.0018","90","","98.582","0.001","90","","3507.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl4 N O5 Ru -","- C33 H39 Cl3.992 N O5 Ru -","- C132 H156 Cl15.968 N4 O20 Ru4 -","4","1","","Agonigi, Gabriele; Riedel, Tina; Zacchini, Stefano; Păunescu, Emilia; Pampaloni, Guido; Bartalucci, Niccolò; Dyson, Paul J.; Marchetti, Fabio","Synthesis and Antiproliferative Activity of New Ruthenium Complexes with Ethacrynic-Acid-Modified Pyridine and Triphenylphosphine Ligands.","Inorganic chemistry","2015","54","13","6504","6512","10.1021/acs.inorgchem.5b00802","","","0.71073","MoKα","","0.063","0.0479","","","0.141","0.1574","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343341","29.042","0.003","30.75","0.005","9.4483","0.0017","90","","90","","90","","8438","2","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C129 H239.5 N30.5 Ni4 O46 -","- C62 H94 N14 Ni2 O12 -","- C248 H376 N56 Ni8 O48 -","4","1","","Ju, Ping; Jiang, Long; Lu, Tong-Bu","A Three-Dimensional Dynamic Metal-Organic Framework with Fourfold Interpenetrating Diamondoid Networks and Selective Adsorption Properties.","Inorganic chemistry","2015","54","13","6291","6295","10.1021/acs.inorgchem.5b00592","","","1.54178","CuKα","","0.1015","0.0952","","","0.2255","0.2463","","","","","","1.096","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343342","29.923","0.002","29.923","0.002","37.639","0.003","90","","90","","120","","29186","4","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C48 H36 O13.5 Zn2.83 -","- C48 H36 O13.5 Zn2.83333 -","- C864 H648 O243 Zn51 -","18","","","Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng","Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions.","Inorganic chemistry","2015","54","13","6084","6086","10.1021/acs.inorgchem.5b00934","","","1.54184","CuKα","","0.2281","0.1582","","","0.3898","0.4408","","","","","","1.191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343343","29.706","0.002","29.706","0.002","7.8313","0.0009","90","","90","","120","","5984.8","0.9","290.25","0.1","290.25","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C15.89 H12.89 O4.17 Zn1.33 -","- C15.89 H12.89 O4.16667 Zn1.33333 -","- C286.02 H232.02 O75 Zn24 -","18","","","Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng","Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions.","Inorganic chemistry","2015","54","13","6084","6086","10.1021/acs.inorgchem.5b00934","","","1.5418","CuKα","","0.4589","0.373","","","0.7077","0.7553","","","","","","2.516","","","","has coordinates","141324","2020-10-21","18:00:00",""
"4343344","8.8017","0.0004","10.6674","0.0008","10.9422","0.0008","103.157","0.006","108.193","0.006","97.41","0.005","927.91","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 B N8 O4 Zn -","- C13 H12 B N8 O4 Zn -","- C26 H24 B2 N16 O8 Zn2 -","2","1","","Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","A Rational Strategy To Construct a Neutral Boron Imidazolate Framework with Encapsulated Small-Size Au-Pd Nanoparticles for Catalysis.","Inorganic chemistry","2015","54","13","6069","6071","10.1021/acs.inorgchem.5b00826","","","0.71073","MoKα","","0.0522","0.0447","","","0.1252","0.1376","","","","","","0.607","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343345","8.8649","0.0004","10.5565","0.0004","10.631","0.0005","99.986","0.003","110.233","0.004","97.819","0.004","898.42","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 B N8 O4 Zn -","- C13 H12 B N8 O4 Zn -","- C26 H24 B2 N16 O8 Zn2 -","2","1","","Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","A Rational Strategy To Construct a Neutral Boron Imidazolate Framework with Encapsulated Small-Size Au-Pd Nanoparticles for Catalysis.","Inorganic chemistry","2015","54","13","6069","6071","10.1021/acs.inorgchem.5b00826","","","1.54178","CuKα","","0.0665","0.0655","","","0.1802","0.1813","","","","","","0.818","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343346","8.7768","0.001","10.3933","0.0009","11.0723","0.0012","100.215","0.008","109.697","0.01","98.323","0.008","912.76","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 B Cu N8 O5 -","- C13 H12 B Cu N8 O5 -","- C26 H24 B2 Cu2 N16 O10 -","2","1","","Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","A Rational Strategy To Construct a Neutral Boron Imidazolate Framework with Encapsulated Small-Size Au-Pd Nanoparticles for Catalysis.","Inorganic chemistry","2015","54","13","6069","6071","10.1021/acs.inorgchem.5b00826","","","0.71073","MoKα","","0.0712","0.0472","","","0.1206","0.1376","","","","","","0.837","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343347","9.0162","0.0007","10.7479","0.0007","10.8068","0.0004","97.57","0.004","97.708","0.005","110.1","0.006","956.61","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 B Cd N8 O5 -","- C13 H12 B Cd N8 O5 -","- C26 H24 B2 Cd2 N16 O10 -","2","1","","Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","A Rational Strategy To Construct a Neutral Boron Imidazolate Framework with Encapsulated Small-Size Au-Pd Nanoparticles for Catalysis.","Inorganic chemistry","2015","54","13","6069","6071","10.1021/acs.inorgchem.5b00826","","","0.71073","MoKα","","0.0416","0.0329","","","0.0948","0.107","","","","","","0.559","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343348","8.997","0.0005","10.5163","0.0005","10.686","0.0007","98.008","0.005","97.436","0.005","111.11","0.005","916.19","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 B Mn N8 O5 -","- C13 H12 B Mn N8 O5 -","- C26 H24 B2 Mn2 N16 O10 -","2","1","","Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","A Rational Strategy To Construct a Neutral Boron Imidazolate Framework with Encapsulated Small-Size Au-Pd Nanoparticles for Catalysis.","Inorganic chemistry","2015","54","13","6069","6071","10.1021/acs.inorgchem.5b00826","","","1.54178","CuKα","","0.0412","0.0389","","","0.1099","0.1126","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343349","13.3644","0.0006","12.1912","0.0005","18.6685","0.0008","90","","107.723","0.003","90","","2897.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Au2 Br2 N8 O -","- C23 H36 Au2 Br2 N8 O -","- C92 H144 Au8 Br8 N32 O4 -","4","1","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0994","0.0701","","","0.1976","0.2117","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343350","12.4982","0.0006","19.0817","0.0009","13.4521","0.0007","90","","91.013","0.002","90","","3207.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Au2 Br2 N8 O2 -","- C25 H42 Au2 Br2 N8 O2 -","- C100 H168 Au8 Br8 N32 O8 -","4","1","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0402","0.0311","","","0.0622","0.0651","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343351","14.8235","0.0006","12.0677","0.0008","9.3272","0.0007","90","","90","","90","","1668.5","0.18","123","2","123","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C26 H40 Au2 Br2 N8 -","- C26 H40 Au2 Br2 N8 -","- C52 H80 Au4 Br4 N16 -","2","0.25","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0405","0.0311","","","0.0753","0.078","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343352","9.5196","0.0005","10.6053","0.0004","11.2021","0.0006","95.973","0.003","114.1","0.002","111.925","0.003","912.7","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Au2 Br2 N8 O2 -","- C30 H52 Au2 Br2 N8 O2 -","- C30 H52 Au2 Br2 N8 O2 -","1","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0342","0.0292","","","0.0655","0.067","","","","","","1.003","","","","has coordinates","141334","2020-10-21","18:00:00",""
"4343353","9.4795","0.0008","10.1252","0.0009","11.5109","0.0009","64.343","0.003","75.524","0.003","71.486","0.003","936.15","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Au2 Br2 N8 -","- C32 H52 Au2 Br2 N8 -","- C32 H52 Au2 Br2 N8 -","1","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0637","0.0536","","","0.1212","0.1317","","","","","","1.156","","","","has coordinates","141334","2020-10-21","18:00:00",""
"4343354","18.36","0.003","13.0075","0.0019","14.499","0.002","90","","105.846","0.005","90","","3331","0.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H32 Au2 F12 N8 P2 -","- C22 H32 Au2 F12 N8 P2 -","- C88 H128 Au8 F48 N32 P8 -","4","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0437","0.0327","","","0.0743","0.0797","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343355","16.1337","0.0007","16.6581","0.0008","14.4451","0.0007","90","","116.201","0.002","90","","3483.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Au2 F12 N8 P2 -","- C24 H36 Au2 F12 N8 P2 -","- C96 H144 Au8 F48 N32 P8 -","4","1","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0263","0.0195","","","0.0398","0.0418","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343356","12.0982","0.0018","12.5843","0.0018","14.952","0.002","77.062","0.005","78.543","0.005","63.762","0.005","1977","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H90 Au4 F24 N16 O P4 -","- C56 H90 Au4 F24 N16 O P4 -","- C56 H90 Au4 F24 N16 O P4 -","1","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0693","0.0456","","","0.1357","0.1551","","","","","","1.029","","","","has coordinates,has disorder","141334","2020-10-21","18:00:00",""
"4343357","9.946","0.005","10.113","0.008","11.269","0.009","65.56","0.05","85.99","0.05","68.14","0.05","953","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Au2 F12 N8 P2 -","- C28 H44 Au2 F12 N8 P2 -","- C28 H44 Au2 F12 N8 P2 -","1","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0536","0.0492","","","0.1282","0.1307","","","","","","1.029","","","","has coordinates","141334","2020-10-21","18:00:00",""
"4343358","20.1425","0.0007","20.9547","0.0008","11.5734","0.0004","90","","123.696","0.001","90","","4064.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Au2 F12 N8 P2 -","- C30 H48 Au2 F12 N8 P2 -","- C120 H192 Au8 F48 N32 P8 -","4","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.0262","0.0218","","","0.0556","0.0573","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343359","10.3753","0.0007","10.8525","0.0008","11.5698","0.0008","113.079","0.004","90.44","0.004","115.08","0.003","1061.59","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H52 Au2 F12 N8 P2 -","- C32 H52 Au2 F12 N8 P2 -","- C32 H52 Au2 F12 N8 P2 -","1","0.5","","Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne","Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles.","Inorganic chemistry","2015","54","13","6100","6111","10.1021/ic502751s","","","0.71073","MoKα","","0.077","0.0653","","","0.1715","0.1768","","","","","","1.162","","","","has coordinates","141334","2020-10-21","18:00:00",""
"4343360","14.831","0.002","15.644","0.002","17.317","0.002","90","","93.813","0.003","90","","4008.9","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 N16 Zn -","- C40 H20 N16 Zn -","- C160 H80 N64 Zn4 -","4","1","","Kim, Juyeong; Silakov, Alexey; Yennawar, Hemant P.; Lear, Benjamin J.","Structural, Electronic, and Magnetic Characterization of a Dinuclear Zinc Complex Containing TCNQ(-) and a μ-[TCNQ-TCNQ](2-) Ligand.","Inorganic chemistry","2015","54","13","6072","6074","10.1021/acs.inorgchem.5b00808","","","0.71073","MoKα","","0.1809","0.0849","","","0.2058","0.2516","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343361","12.596","0.0011","17.282","0.0015","18.9869","0.0016","101.911","0.003","99.445","0.003","92.717","0.003","3975.2","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H70 Au2 B2 Co F8 N10 P2 -","- C90 H70 Au2 B2 Co F8 N10 P2 -","- C180 H140 Au4 B4 Co2 F16 N20 P4 -","2","1","","Cámara, Verónica; Barquero, Natalia; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Assembly of Heterometallic Rigid-Rod Complexes and Coordination Oligomers from Gold(I) Metalloligands.","Inorganic chemistry","2015","54","13","6147","6156","10.1021/acs.inorgchem.5b00176","","","0.71073","MoKα","","0.0769","0.042","","","0.0724","0.0805","","","","","","1.058","","","","has coordinates,has disorder","141342","2020-10-21","18:00:00",""
"4343362","14.5018","0.0013","15.4855","0.0014","15.6214","0.0014","67.063","0.002","77.99","0.002","70.603","0.002","3034.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 Au2 Cl2 Fe N10 O8 -","- C68 H52 Au2 Cl2 Fe N10 O8 -","- C136 H104 Au4 Cl4 Fe2 N20 O16 -","2","1","","Cámara, Verónica; Barquero, Natalia; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Assembly of Heterometallic Rigid-Rod Complexes and Coordination Oligomers from Gold(I) Metalloligands.","Inorganic chemistry","2015","54","13","6147","6156","10.1021/acs.inorgchem.5b00176","","","0.71073","MoKα","","0.0972","0.0543","","","0.1138","0.1295","","","","","","0.996","","","","has coordinates,has disorder","141342","2020-10-21","18:00:00",""
"4343363","29.959","0.005","29.959","0.005","14.054","0.002","90","","90","","90","","12614","3","100","2","100.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H31 Br3 Cu3 N5 P2 -","- C26 H31 Br3 Cu3 N3 P2 -","- C416 H496 Br48 Cu48 N48 P32 -","16","","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.","Inorganic chemistry","2015","54","13","6063","6065","10.1021/acs.inorgchem.5b00525","","","0.71075","MoKα","","0.0398","0.0334","","","0.0694","0.072","","","","","","1.098","","","","has coordinates","152793","2020-10-21","18:00:00",""
"4343364","9.606","0.002","18.495","0.004","21.83","0.005","92.574","0.003","96.485","0.003","90.109","0.003","3849.6","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu4 I4 N4 P2 -","- C28 H34 Cu4 I4 N4 P2 -","- C112 H136 Cu16 I16 N16 P8 -","4","2","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.","Inorganic chemistry","2015","54","13","6063","6065","10.1021/acs.inorgchem.5b00525","","","0.71073","MoKα","","0.114","0.0991","","","0.2426","0.2494","","","","","","1.116","","","","has coordinates,has disorder","152793","2020-10-21","18:00:00",""
"4343365","15.592","0.004","15.592","0.004","26.068","0.007","90","","90","","90","","6337","3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C25 H30 Cl2 Cu2 I2 N2 P2 -","- C25 H30 Cl2 Cu2 I2 N2 P2 -","- C200 H240 Cl16 Cu16 I16 N16 P16 -","8","","","Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.","Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.","Inorganic chemistry","2015","54","13","6063","6065","10.1021/acs.inorgchem.5b00525","","","0.71073","MoKα","","0.0687","0.0485","","","0.1272","0.145","","","","","","1.075","","","","has coordinates","152793","2020-10-21","18:00:00",""
"4343366","15.378","0.003","23.778","0.005","12.132","0.002","90","","97.89","0.03","90","0.03","4394.2","1.5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 F6 Ir N6 P -","- C44 H50 F6 Ir N6 P -","- C176 H200 F24 Ir4 N24 P4 -","4","0.5","","Zhang, Kenneth Yin; Liu, Hua-Wei; Tang, Man-Chung; Choi, Alex Wing-Tat; Zhu, Nianyong; Wei, Xi-Guang; Lau, Kai-Chung; Lo, Kenneth Kam-Wing","Dual-Emissive Cyclometalated Iridium(III) Polypyridine Complexes as Ratiometric Biological Probes and Organelle-Selective Bioimaging Reagents.","Inorganic chemistry","2015","54","13","6582","6593","10.1021/acs.inorgchem.5b00944","","","0.71073","MoKα","","0.0456","0.0357","","","0.0965","0.1019","","","","","","0.9","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343367","16.4996","0.0005","16.7704","0.0006","22.6852","0.0008","87.514","0.003","85.466","0.003","63.309","0.003","5590.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H148 Al2 Cu8 N4 O4 -","- C107 H148 Al2 Cu8 N4 O4 -","- C214 H296 Al4 Cu16 N8 O8 -","2","1","","Li, Bin; Zhang, Chunyan; Yang, Ying; Zhu, Hongping; Roesky, Herbert W.","Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.","Inorganic chemistry","2015","54","13","6641","6646","10.1021/acs.inorgchem.5b00990","","","1.54178","CuKα","","0.0604","0.0471","","","0.1232","0.1327","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343368","12.3209","0.0011","15.3926","0.0009","20.5844","0.0013","90","","104.797","0.007","90","","3774.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 Al Cu2 N2 O -","- C39 H55 Al Cu2 N2 O -","- C156 H220 Al4 Cu8 N8 O4 -","4","1","","Li, Bin; Zhang, Chunyan; Yang, Ying; Zhu, Hongping; Roesky, Herbert W.","Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.","Inorganic chemistry","2015","54","13","6641","6646","10.1021/acs.inorgchem.5b00990","","","0.71073","MoKα","","0.0972","0.0637","","","0.1259","0.1389","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343369","12.763","0.0007","20.0764","0.0012","16.0499","0.0008","90","","110.349","0.006","90","","3855.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H106 Al2 Cu4 N4 O4 -","- C76 H106 Al2 Cu4 N4 O4 -","- C152 H212 Al4 Cu8 N8 O8 -","2","0.5","","Li, Bin; Zhang, Chunyan; Yang, Ying; Zhu, Hongping; Roesky, Herbert W.","Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.","Inorganic chemistry","2015","54","13","6641","6646","10.1021/acs.inorgchem.5b00990","","","0.71073","MoKα","","0.1236","0.0647","","","0.0924","0.1094","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343370","11.5545","0.0008","11.683","0.0007","15.6383","0.001","107.429","0.005","101.279","0.006","98.43","0.005","1927.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Al Cu2 N2 O -","- C40 H56 Al Cu2 N2 O -","- C80 H112 Al2 Cu4 N4 O2 -","2","1","","Li, Bin; Zhang, Chunyan; Yang, Ying; Zhu, Hongping; Roesky, Herbert W.","Synthesis and Characterization of Heterobimetallic Al-O-Cu Complexes toward Models for Heterogeneous Catalysts on Metal Oxide Surfaces.","Inorganic chemistry","2015","54","13","6641","6646","10.1021/acs.inorgchem.5b00990","","","0.71073","MoKα","","0.081","0.0532","","","0.107","0.1168","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343371","11.4653","0.0009","9.9427","0.0008","16.2307","0.0013","90","","92.069","0.001","90","","1849","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl Co0.5 Fe N2 O2 S -","- C16 H19 Cl Co0.5 Fe N2 O2 S -","- C64 H76 Cl4 Co2 Fe4 N8 O8 S4 -","4","1","","Rhine, Melody A.; Sanders, Brian C.; Patra, Ashis K.; Harrop, Todd C.","Overview and New Insights into the Thiol Reactivity of Coordinated NO in {MNO}(6/7/8) (M = Fe, Co) Complexes.","Inorganic chemistry","2015","54","19","9351","9366","10.1021/acs.inorgchem.5b00883","","","0.71073","MoKα","","0.0534","0.0352","","","0.0953","0.1056","","","","","","1.021","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343372","10.495","0.01","15.692","0.015","22.76","0.02","90","","102.605","0.012","90","","3658","6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H48 Cl Co Fe N4 S -","- C39 H48 Cl Co Fe N4 S -","- C156 H192 Cl4 Co4 Fe4 N16 S4 -","4","1","","Rhine, Melody A.; Sanders, Brian C.; Patra, Ashis K.; Harrop, Todd C.","Overview and New Insights into the Thiol Reactivity of Coordinated NO in {MNO}(6/7/8) (M = Fe, Co) Complexes.","Inorganic chemistry","2015","54","19","9351","9366","10.1021/acs.inorgchem.5b00883","","","0.71073","MoKα","","0.0474","0.0355","","","0.0839","0.0896","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343373","18.2216","0.001","17.7292","0.0009","22.546","0.0013","90","","93.694","0.002","90","","7268.5","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H71.5 Gd2 N7 Na2 O17.25 -","- C70 H71.5 Gd2 N7 Na2 O17.25 -","- C280 H286 Gd8 N28 Na8 O69 -","4","1","","Brunet, Gabriel; Habib, Fatemah; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation Observed in Dysprosium Compounds Containing Unsupported Near-Linear Hydroxo- and Fluoro-Bridges.","Inorganic chemistry","2015","54","13","6195","6202","10.1021/acs.inorgchem.5b00343","","","0.71073","MoKα","","0.052","0.0363","","","0.0923","0.0982","","","","","","1.068","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343374","18.1254","0.0004","17.7273","0.0004","22.4308","0.0005","90","","94.072","0.001","90","","7189.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H75 Dy2 N7 Na2 O18 -","- C71 H75 Dy2 N7 Na2 O18 -","- C284 H300 Dy8 N28 Na8 O72 -","4","1","","Brunet, Gabriel; Habib, Fatemah; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation Observed in Dysprosium Compounds Containing Unsupported Near-Linear Hydroxo- and Fluoro-Bridges.","Inorganic chemistry","2015","54","13","6195","6202","10.1021/acs.inorgchem.5b00343","","","0.71073","MoKα","","0.0452","0.0336","","","0.0839","0.091","","","","","","1.055","","","","has coordinates,has disorder","141325","2020-10-21","18:00:00",""
"4343375","14.4396","0.0005","15.3862","0.0005","15.9818","0.0005","113.089","0.002","98.589","0.002","103.782","0.002","3052.86","0.19","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H58 Cl2 Dy2 F3 N6 Na3 O11.5 -","- C42.5 H58 Cl2 Dy2 F3 N6 Na3 O11.5 -","- C85 H116 Cl4 Dy4 F6 N12 Na6 O23 -","2","1","","Brunet, Gabriel; Habib, Fatemah; Korobkov, Ilia; Murugesu, Muralee","Slow Magnetic Relaxation Observed in Dysprosium Compounds Containing Unsupported Near-Linear Hydroxo- and Fluoro-Bridges.","Inorganic chemistry","2015","54","13","6195","6202","10.1021/acs.inorgchem.5b00343","","","0.71073","MoKα","","0.0895","0.0601","","","0.1462","0.1661","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343376","10.5936","0.0014","10.5936","0.0014","9.9714","0.0014","90","","90","","90","","1119","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- Fe H2 Li O6 P2 -","- Fe H2 Li O6 P2 -","- Fe8 H16 Li8 O48 P16 -","8","0.5","","Yaghoobnejad Asl, Hooman; Choudhury, Amitava","Phosphite as Polyanion-Based Cathode for Li-Ion Battery: Synthesis, Structure, and Electrochemistry of LiFe(HPO3)2.","Inorganic chemistry","2015","54","13","6566","6572","10.1021/acs.inorgchem.5b00900","","","0.71073","MoKα","","0.026","0.0251","","","0.0675","0.0679","","","","","","1.152","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343377","9.5575","0.0007","10.854","0.0008","16.2316","0.0011","90","","91.46","0.002","90","","1683.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Langdon-Jones, Emily E; Lloyd, David; Hayes, Anthony J.; Wainwright, Shane D.; Mottram, Huw J.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Alkynyl-naphthalimide Fluorophores: Gold Coordination Chemistry and Cellular Imaging Applications.","Inorganic chemistry","2015","54","13","6606","6615","10.1021/acs.inorgchem.5b00954","","","0.71075","MoKα","","0.0672","0.0588","","","0.1664","0.1743","","","","","","1.033","","","","has coordinates","154602","2020-10-21","18:00:00",""
"4343378","22.8825","0.0016","9.2776","0.0007","30.604","0.002","90","","106.004","0.002","90","","6245.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Au N2 O2 P -","- C39 H34 Au N2 O2 P -","- C312 H272 Au8 N16 O16 P8 -","8","1","","Langdon-Jones, Emily E; Lloyd, David; Hayes, Anthony J.; Wainwright, Shane D.; Mottram, Huw J.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Alkynyl-naphthalimide Fluorophores: Gold Coordination Chemistry and Cellular Imaging Applications.","Inorganic chemistry","2015","54","13","6606","6615","10.1021/acs.inorgchem.5b00954","","","0.71075","MoKα","","0.0275","0.0226","","","0.0536","0.0554","","","","","","1.016","","","","has coordinates","154602","2020-10-21","18:00:00",""
"4343379","10.0771","0.0011","13.4513","0.0016","20.341","0.002","86.427","0.009","84.643","0.009","70.346","0.01","2583.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H51 Cl2 Fe2 N8 O13 -","- C51 H51 Cl2 Fe2 N8 O13 -","- C102 H102 Cl4 Fe4 N16 O26 -","2","1","","Gouré, Eric; Carboni, Michaël; Troussier, Angélique; Dubourdeaux, Patrick; Clémancey, Martin; Gon, Nathalie; Balasubramanian, Ramachandran; Lebrun, Colette; Pécaut, Jacques; Blondin, Geneviève; Latour, Jean-Marc","Deprotonation in Mixed-Valent Diiron(II,III) Complexes with Aniline or Benzimidazole Ligands.","Inorganic chemistry","2015","54","13","6257","6266","10.1021/acs.inorgchem.5b00449","","","0.71073","MoKα","","0.1717","0.0715","","","0.1393","0.1849","","","","","","0.926","","","","has coordinates","152792","2020-10-21","18:00:00",""
"4343380","12.3827","0.0009","13.2351","0.0007","18.8207","0.0011","74.765","0.005","71.367","0.006","71.904","0.005","2732","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Fe{L-(Py)2(BzImH)2}(mpdp)Fe](ClO4)2.2CH3CN","","","- C53 H53 Cl2 Fe2 N10 O13 -","- C53 H53 Cl2 Fe2 N10 O13 -","- C106 H106 Cl4 Fe4 N20 O26 -","2","1","","Gouré, Eric; Carboni, Michaël; Troussier, Angélique; Dubourdeaux, Patrick; Clémancey, Martin; Gon, Nathalie; Balasubramanian, Ramachandran; Lebrun, Colette; Pécaut, Jacques; Blondin, Geneviève; Latour, Jean-Marc","Deprotonation in Mixed-Valent Diiron(II,III) Complexes with Aniline or Benzimidazole Ligands.","Inorganic chemistry","2015","54","13","6257","6266","10.1021/acs.inorgchem.5b00449","","","0.71073","MoKα","","0.0908","0.0528","","","0.0974","0.1126","","","","","","1.033","","","","has coordinates,has disorder","152792","2020-10-21","18:00:00",""
"4343381","3.7519","0.0002","3.7519","0.0002","11.349","0.001","90","","90","","120","","138.354","0.016","293","","293","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ca Fe O S -","- Ca Fe O S -","- Ca2 Fe2 O2 S2 -","2","0.166667","","Delacotte, Charlène; Pérez, Olivier; Pautrat, Alain; Berthebaud, David; Hébert, Sylvie; Suard, Emmanuelle; Pelloquin, Denis; Maignan, Antoine","Magnetodielectric Effect in Crystals of the Noncentrosymmetric CaOFeS at Low Temperature.","Inorganic chemistry","2015","54","13","6560","6565","10.1021/acs.inorgchem.5b00879","","x-ray","0.71073","MoKα","","0.0289","0.0258","","","0.0918","0.1096","","","","1.5","1.5","1.72","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343382","10.1757","0.0004","10.2522","0.0003","10.5639","0.0002","75.248","0.002","73.403","0.003","69.265","0.003","973.14","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O4 Pt -","- C23 H21 N O4 Pt -","- C46 H42 N2 O8 Pt2 -","2","1","","Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.","Inorganic chemistry","2015","54","13","6528","6536","10.1021/acs.inorgchem.5b00817","","","0.71075","MoKα","","0.0317","0.0312","","","0.0797","0.0802","","","","","","1.009","","","","has coordinates","154604","2020-10-21","18:00:00",""
"4343383","9.8021","0.0007","10.3147","0.0007","11.2998","0.0007","115.732","0.005","107.041","0.005","96.348","0.004","945.75","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Cl N O3 Pt S -","- C20 H20 Cl N O3 Pt S -","- C40 H40 Cl2 N2 O6 Pt2 S2 -","2","1","","Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.","Inorganic chemistry","2015","54","13","6528","6536","10.1021/acs.inorgchem.5b00817","","","0.71075","MoKα","","0.0168","0.0167","","","0.0442","0.0443","","","","","","1.044","","","","has coordinates","154604","2020-10-21","18:00:00",""
"4343384","24.9815","0.001","7.2648","0.0003","28.8575","0.0011","90","","102.905","0.004","90","","5104.9","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 F6 N3 O2 P Pt -","- C28 H22 F6 N3 O2 P Pt -","- C224 H176 F48 N24 O16 P8 Pt8 -","8","1","","Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.","Inorganic chemistry","2015","54","13","6528","6536","10.1021/acs.inorgchem.5b00817","","","0.71075","MoKα","","0.0988","0.0531","","","0.09","0.1034","","","","","","0.984","","","","has coordinates,has disorder","154604","2020-10-21","18:00:00",""
"4343385","16.7229","0.0004","12.8022","0.0003","6.80328","0.00018","90","","93.67","0.002","90","","1453.53","0.06","130.3","0.14","130.3","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Gd N2 O6 -","- C15 H9 Gd N2 O6 -","- C60 H36 Gd4 N8 O24 -","4","1","","Zhang, Shaowei; Duan, Eryue; Han, Zongsu; Li, Leilei; Cheng, Peng","Lanthanide Coordination Polymers with 4,4'-Azobenzoic Acid: Enhanced Stability and Magnetocaloric Effect by Removing Guest Solvents.","Inorganic chemistry","2015","54","13","6498","6503","10.1021/acs.inorgchem.5b00797","","","0.71073","MoKα","","0.0257","0.0223","","","0.0521","0.0544","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343386","16.7158","0.0004","12.7707","0.0003","6.8076","0.00018","90","","93.669","0.002","90","","1450.26","0.06","129.3","0.2","129.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N2 O6 Tb -","- C15 H9 N2 O6 Tb -","- C60 H36 N8 O24 Tb4 -","4","1","","Zhang, Shaowei; Duan, Eryue; Han, Zongsu; Li, Leilei; Cheng, Peng","Lanthanide Coordination Polymers with 4,4'-Azobenzoic Acid: Enhanced Stability and Magnetocaloric Effect by Removing Guest Solvents.","Inorganic chemistry","2015","54","13","6498","6503","10.1021/acs.inorgchem.5b00797","","","0.71073","MoKα","","0.0371","0.03","","","0.063","0.0686","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343387","16.6746","0.0004","12.7263","0.0003","6.77786","0.00018","90","","93.634","0.002","90","","1435.41","0.06","121.5","0.14","121.5","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Dy N2 O6 -","- C15 H8 Dy N2 O6 -","- C60 H32 Dy4 N8 O24 -","4","1","","Zhang, Shaowei; Duan, Eryue; Han, Zongsu; Li, Leilei; Cheng, Peng","Lanthanide Coordination Polymers with 4,4'-Azobenzoic Acid: Enhanced Stability and Magnetocaloric Effect by Removing Guest Solvents.","Inorganic chemistry","2015","54","13","6498","6503","10.1021/acs.inorgchem.5b00797","","","0.71073","MoKα","","0.0445","0.0427","","","0.1017","0.1025","","","","","","1.15","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343388","22.729","0.006","11.661","0.003","20.503","0.006","90","","104.225","0.007","90","","5268","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 B F4 N4 Ni P4 -","- C48 H96 B F4 N4 Ni P4 -","- C192 H384 B4 F16 N16 Ni4 P16 -","4","0.5","","Niklas, Jens; Westwood, Mark; Mardis, Kristy L.; Brown, Tiara L.; Pitts-McCoy, Anthony M; Hopkins, Michael D.; Poluektov, Oleg G.","X-ray Crystallographic, Multifrequency Electron Paramagnetic Resonance, and Density Functional Theory Characterization of the Ni(P(Cy)2N(tBu)2)2(n+) Hydrogen Oxidation Catalyst in the Ni(I) Oxidation State.","Inorganic chemistry","2015","54","13","6226","6234","10.1021/acs.inorgchem.5b00445","","","0.71073","MoKα","","0.0532","0.0335","","","0.0698","0.0774","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4343389","10.8421","0.0006","8.894","0.0006","19.0588","0.001","90","","97.876","0.004","90","","1820.5","0.19","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Br2 Fe -","- C18 H24 Br2 Fe -","- C72 H96 Br8 Fe4 -","4","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0291","0.0248","","","0.0635","0.0648","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343390","16.9122","0.0006","16.9122","0.0006","17.8911","0.0006","90","","90","","90","","5117.3","0.3","143","2","143","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H42 Fe Si2 -","- C24 H42 Fe Si2 -","- C192 H336 Fe8 Si16 -","8","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.035","0.0302","","","0.0708","0.0733","","","","","","1.007","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4343391","6.9683","0.001","10.7377","0.0017","13.687","0.002","93.203","0.013","100.971","0.012","105.11","0.012","964.6","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 Fe N6 -","- C18 H24 Fe N6 -","- C36 H48 Fe2 N12 -","2","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.099","0.0599","","","0.1138","0.1273","","","","","","0.828","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4343392","10.2598","0.0005","23.3257","0.0015","10.0167","0.0005","90","","113.568","0.004","90","","2197.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 Fe N2 -","- C22 H32 Cl2 Fe N2 -","- C88 H128 Cl8 Fe4 N8 -","4","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0349","0.0279","","","0.0671","0.0713","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343393","10.4182","0.0008","11.9766","0.0012","13.5263","0.0011","83.236","0.007","82.779","0.006","82.822","0.007","1652.3","0.3","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H47 B F4 Fe N2 -","- C29 H47 B F4 Fe N2 -","- C58 H94 B2 F8 Fe2 N4 -","2","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0699","0.0506","","","0.1309","0.1433","","","","","","1.062","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4343394","11.232","0.0003","21.6146","0.0008","22.6191","0.0006","90","","96.622","0.002","90","","5454.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H92 Fe2 N4 O -","- C59 H92 Fe2 N4 O -","- C236 H368 Fe8 N16 O4 -","4","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.059","0.0387","","","0.0883","0.0976","","","","","","1.015","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4343395","21.5012","0.0012","8.0519","0.0002","18.5315","0.0009","90","","110.721","0.004","90","","3000.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl2 Fe N2 -","- C30 H48 Cl2 Fe N2 -","- C120 H192 Cl8 Fe4 N8 -","4","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0448","0.0346","","","0.0808","0.088","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343396","16.1859","0.0009","6.2591","0.0004","21.5457","0.0012","90","","97.799","0.004","90","","2162.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Fe N3 -","- C23 H33 Fe N3 -","- C92 H132 Fe4 N12 -","4","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0506","0.0439","","","0.1215","0.1254","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343397","9.9201","0.0011","10.7066","0.0011","11.0762","0.0013","85.767","0.009","72.107","0.008","64.675","0.008","1009.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H32 Fe N2 O -","- C21 H32 Fe N2 O -","- C42 H64 Fe2 N4 O2 -","2","1","","Petrov, Alex R.; Derheim, Anatoli; Oetzel, Jan; Leibold, Michael; Bruhn, Clemens; Scheerer, Stefan; Oßwald, Steffen; Winter, Rainer F.; Siemeling, Ulrich","A Stable Planar-Chiral N-Heterocyclic Carbene with a 1,1'-Ferrocenediyl Backbone.","Inorganic chemistry","2015","54","13","6657","6670","10.1021/acs.inorgchem.5b01064","","","0.71073","MoKα","","0.0862","0.0741","","","0.1987","0.2122","","","","","","1.054","","","","has coordinates","141329","2020-10-21","18:00:00",""
"4343398","14.0564","0.0005","17.1977","0.0007","22.218","0.0009","99.592","0.014","105.655","0.01","112.612","0.01","4547.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H71 Dy7 N3 O39.5 -","- C88 H60 Dy7 N3 O39.5 -","- C176 H120 Dy14 N6 O79 -","2","1","","Hu, Fa-Lu; Jiang, Fei-Long; Zheng, Jun; Wu, Ming-Yan; Pang, Jian-Dong; Hong, Mao-Chun","Magnetic Properties of 3D Heptanuclear Lanthanide Frameworks Supported by Mixed Ligands.","Inorganic chemistry","2015","54","13","6081","6083","10.1021/acs.inorgchem.5b00917","","","0.71073","MoKα","","0.0495","0.0425","","","0.1112","0.1189","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343399","13.9029","0.0003","16.9641","0.0003","22.0259","0.0005","99.309","0.002","106.023","0.002","112.189","0.002","4411.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H71 Gd7 N3 O39.5 -","- C88 H52 Gd7 N3 O39.5 -","- C176 H104 Gd14 N6 O79 -","2","1","","Hu, Fa-Lu; Jiang, Fei-Long; Zheng, Jun; Wu, Ming-Yan; Pang, Jian-Dong; Hong, Mao-Chun","Magnetic Properties of 3D Heptanuclear Lanthanide Frameworks Supported by Mixed Ligands.","Inorganic chemistry","2015","54","13","6081","6083","10.1021/acs.inorgchem.5b00917","","","1.54184","CuKα","","0.0534","0.0455","","","0.102","0.1084","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343400","5.7649","0.0009","5.7649","0.0009","28.086","0.009","90","","90","","120","","808.4","0.3","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- F12 Fe3 K4 -","- F12 Fe3 K4 -","- F36 Fe9 K12 -","3","0.0833333","","Kim, Sun Woo; Zhang, Ronghuan; Halasyamani, P. Shiv; Hayward, Michael A.","K4Fe3F12: An Fe(2+)/Fe(3+) Charge-Ordered, Ferrimagnetic Fluoride with a Cation-Deficient, Layered Perovskite Structure.","Inorganic chemistry","2015","54","13","6647","6652","10.1021/acs.inorgchem.5b01006","","","0.71073","MoKα","","0.0217","0.0188","","","0.0547","0.0576","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343401","9.3242","0.0014","16.887","0.003","20.587","0.003","90","","90","","90","","3241.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 Cu I3 N4 -","- C10 H14 Cu I3 N4 -","- C80 H112 Cu8 I24 N32 -","8","1","","He, Jun; Cao, Peng; Wu, Chao; Huang, Jiahong; Huang, Jian; He, Yonghe; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Highly Polarizable Triiodide Anions (I3(-)) as Cross-Linkers for Coordination Polymers: Closing the Semiconductive Band Gap.","Inorganic chemistry","2015","54","13","6087","6089","10.1021/acs.inorgchem.5b00958","","","0.71073","MoKα","","0.0555","0.0514","","","0.1075","0.1094","","","","","","1.169","","","","has coordinates","141351","2020-10-21","18:00:00",""
"4343402","16.286","0.008","22.363","0.011","14.805","0.007","90","","113.364","0.004","90","","4950","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Au2 Cd N7 O3 -","- C21 H13 Au2 Cd N7 O3 -","- C168 H104 Au16 Cd8 N56 O24 -","8","1","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.71073","MoKα","","0.1317","0.0664","","","0.1378","0.1697","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343403","16.115","0.006","22.124","0.008","14.647","0.005","90","","112.951","0.004","90","","4809","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Au2 N7 O3 Zn -","- C21 H11 Au2 N7 O3 Zn -","- C168 H88 Au16 N56 O24 Zn8 -","8","1","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.71073","MoKα","","0.1613","0.1268","","","0.2627","0.2817","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343404","16.332","0.016","22.51","0.02","14.791","0.015","90","","112.96","0.011","90","","5007","8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Au2 Mn N7 O3 -","- C21 H13 Au2 Mn N7 O3 -","- C168 H104 Au16 Mn8 N56 O24 -","8","1","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.71073","MoKα","","0.1721","0.1002","","","0.2432","0.2785","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343405","11.3968","0.0009","25.703","0.002","7.1857","0.0005","90","","99.25","0.002","90","","2077.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Au2 Cl4 In2 N10 O -","- C38 H22 Au2 Cl4 In2 N10 O -","- C76 H44 Au4 Cl8 In4 N20 O2 -","2","0.5","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.71073","MoKα","","0.1958","0.1892","","","0.4074","0.4106","","","","","","1.265","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343406","10.162","0.004","25.868","0.009","9.658","0.003","90","","114.964","0.004","90","","2301.6","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Au2 Cd N7 -","- C21 H11 Au2 Cd N7 -","- C84 H44 Au8 Cd4 N28 -","4","1","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.7749","Synchrotron","","0.1746","0.0741","","","0.1727","0.2138","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343407","9.9485","0.001","25.038","0.003","10.0688","0.001","90","","116.812","0.001","90","","2238.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Au2 Mn N7 -","- C21 H11 Au2 Mn N7 -","- C84 H44 Au8 Mn4 N28 -","4","1","","Thompson, John R.; Katz, Michael J.; Williams, Vance E.; Leznoff, Daniel B.","Structural Design Parameters for Highly Birefringent Coordination Polymers.","Inorganic chemistry","2015","54","13","6462","6471","10.1021/acs.inorgchem.5b00749","","","0.7749","Synchrotron","","0.0686","0.0613","","","0.1601","0.1727","","","","","","1.251","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343408","10.6421","0.0004","25.1317","0.0016","25.4129","0.0016","90","","91.853","0.004","90","","6793.2","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 N8 Ni O31 U2 -","- C62 H43 N8 Ni O31 U2 -","- C248 H172 N32 Ni4 O124 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.1046","0.075","","","0.1818","0.195","","","","","","1.173","","","","has coordinates,has disorder","154600","2020-10-21","18:00:00",""
"4343409","9.0667","0.0003","10.4968","0.0005","13.9008","0.0007","72.739","0.002","73.394","0.003","67.672","0.003","1146.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O16 U2 -","- C18 H15 N O16 U2 -","- C36 H30 N2 O32 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.0413","0.0333","","","0.0897","0.0926","","","","","","1.088","","","","has coordinates","154600","2020-10-21","18:00:00",""
"4343410","9.3067","0.0009","15.5727","0.0015","14.1472","0.0012","90","","93.923","0.007","90","","2045.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cu O13 U -","- C16 H10 Cu O13 U -","- C64 H40 Cu4 O52 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.1001","0.0873","","","0.2629","0.2699","","","","","","1.134","","","","has coordinates","154600","2020-10-21","18:00:00",""
"4343411","16.1517","0.0005","15.3424","0.0004","16.5323","0.0005","90","","90","","90","","4096.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cu O12 U -","- C16 H8 Cu O12 U -","- C128 H64 Cu8 O96 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.0787","0.0641","","","0.1675","0.1764","","","","","","1.057","","","","has coordinates","154600","2020-10-21","18:00:00",""
"4343412","17.1003","0.0004","14.912","0.0005","25.7571","0.0008","90","","94.538","0.002","90","","6547.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H78 Cu4 N8 O60 U5 -","- C136 H72 Cu4 N8 O60 U5 -","- C272 H144 Cu8 N16 O120 U10 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.0579","0.0437","","","0.0949","0.0982","","","","","","1.165","","","","has coordinates,has disorder","154600","2020-10-21","18:00:00",""
"4343413","30.5301","0.0007","15.903","0.0007","29.9686","0.001","90","","107.986","0.002","90","","13839.3","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H74 Dy I O80 U8 -","- C96 H46 Dy I O80 U8 -","- C384 H184 Dy4 I4 O320 U32 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.0668","0.0488","","","0.1383","0.1471","","","","","","1.052","","","","has coordinates","154600","2020-10-21","18:00:00",""
"4343414","12.8299","0.0001","15.6896","0.0002","17.3858","0.0002","70.352","0.001","75.048","0.001","70.71","0.001","3068.09","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[K(18-crown-6)][Fe(TPP)(CN)2]","","","- C61.5 H59 Cl7 Fe K N6 O6 -","- C61.499 H57.898 Cl6.998 Fe K N6 O6 -","- C122.998 H115.796 Cl13.996 Fe2 K2 N12 O12 -","2","1","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0804","0.062","","","0.1498","0.1664","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343415","12.981","0.0006","19.2098","0.0009","24.3751","0.0012","90","","99.583","0.002","90","","5993.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[K.18-Crown][Fe(TPP)(CN)2]","","","- C61 H57 Cl6 Fe K N6 O6 -","- C61 H57 Cl6 Fe K N6 O6 -","- C244 H228 Cl24 Fe4 K4 N24 O24 -","4","1","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0953","0.0641","","","0.1531","0.1776","","","","","","1.055","","","","has coordinates,has disorder","141340","2020-10-21","18:00:00",""
"4343416","20.678","0.0007","13.5854","0.0005","21.9944","0.0011","90","","112.213","0.001","90","","5720.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TPP)(CN)2][K(222)]","","","- C64 H64 Fe K N8 O6 -","- C64 H64 Fe K N8 O6 -","- C256 H256 Fe4 K4 N32 O24 -","4","0.5","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0471","0.0381","","","0.0947","0.1002","","","","","","1.055","","","","has coordinates","141340","2020-10-21","18:00:00",""
"4343417","20.683","0.012","13.857","0.007","22.037","0.013","90","","112.14","0.02","90","","5850","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TPP)(CN)2][K(222)]","","","- C64 H64 Fe K N8 O6 -","- C64 H64 Fe K N8 O6 -","- C256 H256 Fe4 K4 N32 O24 -","4","0.5","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0652","0.0421","","","0.1026","0.1146","","","","","","1.027","","","","has coordinates","141340","2020-10-21","18:00:00",""
"4343418","11.4858","0.0003","14.0967","0.0004","26.9709","0.0007","97.301","0.001","90.785","0.001","113.894","0.001","3950.04","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Fe(TMP)(CN)2][K(222)]","","","- C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3 -","- C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3 -","- C158 H188 Cl12 Fe2 K2 N16 O12 -","4","2","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0536","0.0433","","","0.1045","0.1119","","","","","","1.06","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4343419","31.8765","0.0012","16.4605","0.0006","13.7573","0.0005","90","","105.612","0.002","90","","6952.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Cl4 Fe K N8 O6 -","- C70 H76 Cl4 Fe K N8 O6 -","- C280 H304 Cl16 Fe4 K4 N32 O24 -","4","0.5","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.0904","0.0588","","","0.1545","0.1793","","","","","","1.045","","","","has coordinates","141340","2020-10-21","18:00:00",""
"4343420","14.0118","0.0007","14.3881","0.0007","18.9426","0.0009","69.834","0.002","73.549","0.002","80.577","0.002","3428.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[K(K222)][Fe(TPP)(CN)2]","","","- C67.5 H71 Cl7 Fe K N8 O6 -","- C67.5 H71 Cl7 Fe K N8 O6 -","- C135 H142 Cl14 Fe2 K2 N16 O12 -","2","1","","Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert","Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?","Inorganic chemistry","2015","54","13","6472","6485","10.1021/acs.inorgchem.5b00780","","","0.71073","MoKα","","0.067","0.0483","","","0.1229","0.1375","","","","","","1.053","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343421","9.1061","0.0003","17.0094","0.0007","18.7819","0.0008","91.446","0.002","92.284","0.002","90.945","0.002","2905.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58 Cl4 Fe2 N2 P4 S2 -","- C56 H58 Cl4 Fe2 N2 P4 S2 -","- C112 H116 Cl8 Fe4 N4 P8 S4 -","2","1","","Fliedel, Christophe; Rosa, Vitor; Falceto, Andrés; Rosa, Patrick; Alvarez, Santiago; Braunstein, Pierre","Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.","Inorganic chemistry","2015","54","13","6547","6559","10.1021/acs.inorgchem.5b00834","","","0.71073","MoKα","","0.1201","0.0772","","","0.2112","0.2373","","","","","","1.113","","","","has coordinates","152794","2020-10-21","18:00:00",""
"4343422","10.6991","0.0005","11.8203","0.0006","12.0953","0.0004","92.167","0.003","101.448","0.002","94.786","0.002","1491.67","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 Cl4 Fe2 N2 P4 S2 -","- C62 H54 Cl4 Fe2 N2 P4 S2 -","- C62 H54 Cl4 Fe2 N2 P4 S2 -","1","0.5","","Fliedel, Christophe; Rosa, Vitor; Falceto, Andrés; Rosa, Patrick; Alvarez, Santiago; Braunstein, Pierre","Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.","Inorganic chemistry","2015","54","13","6547","6559","10.1021/acs.inorgchem.5b00834","","x-ray","0.71073","MoKα","","0.0906","0.0491","","","0.1177","0.1369","","","","","","1.095","","","","has coordinates","152794","2020-10-21","18:00:00",""
"4343423","10.7306","0.0002","25.6029","0.0008","23.5","0.0006","90","","106.899","0.002","90","","6177.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H57 F6 Fe N2 O2 P5 S2 -","- C64 H57 F6 Fe N2 O2 P5 S2 -","- C256 H228 F24 Fe4 N8 O8 P20 S8 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Falceto, Andrés; Rosa, Patrick; Alvarez, Santiago; Braunstein, Pierre","Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.","Inorganic chemistry","2015","54","13","6547","6559","10.1021/acs.inorgchem.5b00834","","","0.71073","MoKα","","0.1433","0.0848","","","0.188","0.2119","","","","","","1.027","","","","has coordinates","152794","2020-10-21","18:00:00",""
"4343424","10.37","0.005","19.736","0.01","13.744","0.007","90","","94.37","0.015","90","","2805","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 Cl2 N2 O2 P2 Ru2 S2 -","- C60 H58 Cl2 N2 O2 P2 Ru2 S2 -","- C120 H116 Cl4 N4 O4 P4 Ru4 S4 -","2","0.5","","Ghosh, Pradip; Mandal, Sutanuva; Chatterjee, Ipsita; Mondal, Tapan Kumar; Goswami, Sreebrata","Comparison of Redox Activity between 2-Aminothioether and 2-Aminothiophenol: Redox-Induced Dimerization of 2-Aminothioether via C-C Coupling.","Inorganic chemistry","2015","54","13","6235","6244","10.1021/acs.inorgchem.5b00457","","","0.71073","MoKα","","0.0728","0.0555","","","0.1468","0.1676","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343425","9.373","0.005","18.972","0.005","15.682","0.005","90","0.005","101.537","0.005","90","0.005","2732.3","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 F6 N P2 Ru S -","- C29 H25 F6 N P2 Ru S -","- C116 H100 F24 N4 P8 Ru4 S4 -","4","1","","Ghosh, Pradip; Mandal, Sutanuva; Chatterjee, Ipsita; Mondal, Tapan Kumar; Goswami, Sreebrata","Comparison of Redox Activity between 2-Aminothioether and 2-Aminothiophenol: Redox-Induced Dimerization of 2-Aminothioether via C-C Coupling.","Inorganic chemistry","2015","54","13","6235","6244","10.1021/acs.inorgchem.5b00457","","","0.71073","MoKα","","0.0698","0.0544","","","0.1163","0.1246","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343426","9.609","0.0009","10.7936","0.0011","14.8816","0.0015","99.022","0.002","103.509","0.002","103.094","0.002","1425.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 Co N4 O2 -","- C33 H35 Co N4 O2 -","- C66 H70 Co2 N8 O4 -","2","1","","Protasenko, Natalia A.; Poddel'sky, Andrey I.; Bogomyakov, Artem S.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Heteroligand o-Semiquinonato-Formazanato Cobalt Complexes.","Inorganic chemistry","2015","54","13","6078","6080","10.1021/acs.inorgchem.5b00912","","","0.71073","MoKα","","0.0443","0.0358","","","0.0881","0.0912","","","","","","1.066","","","","has coordinates","141318","2020-10-21","18:00:00",""
"4343427","11.13108","0.00018","12.45679","0.0002","16.193","0.0003","81.2978","0.0013","80.6453","0.0013","73.6151","0.0014","2112.22","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H55 Co N4 O4 -","- C47 H55 Co N4 O4 -","- C94 H110 Co2 N8 O8 -","2","1","","Protasenko, Natalia A.; Poddel'sky, Andrey I.; Bogomyakov, Artem S.; Fukin, Georgy K.; Cherkasov, Vladimir K.","Heteroligand o-Semiquinonato-Formazanato Cobalt Complexes.","Inorganic chemistry","2015","54","13","6078","6080","10.1021/acs.inorgchem.5b00912","","","0.71073","MoKα","","0.0362","0.031","","","0.0823","0.0847","","","","","","1.035","","","","has coordinates","141318","2020-10-21","18:00:00",""
"4343428","8.0269","0.0011","9.6018","0.0013","10.8292","0.0015","83.373","0.003","79.281","0.003","67.531","0.002","756.91","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Co2 N4 O18 P4 -","- C20 H28 Co2 N4 O18 P4 -","- C20 H28 Co2 N4 O18 P4 -","1","0.5","","Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P.","Ferromagnetic Coupling in ""Double-Bridged"" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).","Inorganic chemistry","2015","54","13","6537","6546","10.1021/acs.inorgchem.5b00866","","","0.71073","MoKα","","0.0625","0.0369","","","0.0758","0.0828","","","","","","0.978","","","","has coordinates","141323","2020-10-21","18:00:00",""
"4343429","8.0187","0.0015","9.4817","0.0018","10.757","0.002","83.11","0.004","79.799","0.004","67.755","0.004","743.8","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N4 Ni2 O18 P4 -","- C20 H28 N4 Ni2 O18 P4 -","- C20 H28 N4 Ni2 O18 P4 -","1","0.5","","Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P.","Ferromagnetic Coupling in ""Double-Bridged"" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).","Inorganic chemistry","2015","54","13","6537","6546","10.1021/acs.inorgchem.5b00866","","","0.71073","MoKα","","0.0362","0.0303","","","0.0928","0.0997","","","","","","1.099","","","","has coordinates","141323","2020-10-21","18:00:00",""
"4343430","8.065","0.002","9.77","0.003","10.97","0.003","84.004","0.006","78.651","0.005","66.716","0.006","778.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Mn2 N4 O18 P4 -","- C20 H28 Mn2 N4 O18 P4 -","- C20 H28 Mn2 N4 O18 P4 -","1","0.5","","Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P.","Ferromagnetic Coupling in ""Double-Bridged"" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).","Inorganic chemistry","2015","54","13","6537","6546","10.1021/acs.inorgchem.5b00866","","","0.71073","MoKα","","0.0466","0.0392","","","0.1236","0.1336","","","","","","1.119","","","","has coordinates","141323","2020-10-21","18:00:00",""
"4343431","34.736","0.0006","34.736","0.0006","34.736","0.0006","90","","90","","90","","41912.1","1.3","293.15","","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C39 H24 N O8 Zn2 -","- C39 H24 N O8 Zn2 -","- C1248 H768 N32 O256 Zn64 -","32","0.333333","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Multifunctional srs-Type Metal-Organic Framework Built by Tris(4-carboxylphenylduryl)amine.","Inorganic chemistry","2015","54","13","6653","6656","10.1021/acs.inorgchem.5b01023","","","0.71073","MoKα","","0.0723","0.0692","","","0.224","0.229","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343432","17.367","0.0006","17.7559","0.0007","17.2211","0.0004","90","","110.85","0.002","90","","4962.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 I2 N O5 U -","- C36 H54 I2 N O5 U -","- C144 H216 I8 N4 O20 U4 -","4","1","","Pattenaude, Scott A.; Kuehner, Christopher S.; Dorfner, Walter L.; Schelter, Eric J.; Fanwick, Phillip E.; Bart, Suzanne C.","Spectroscopic and Structural Elucidation of Uranium Dioxophenoxazine Complexes.","Inorganic chemistry","2015","54","13","6520","6527","10.1021/acs.inorgchem.5b00855","","","0.71073","MoKα","","0.0817","0.0464","","","0.1055","0.1203","","","","","","1.014","","","","has coordinates","141341","2020-10-21","18:00:00",""
"4343433","19.901","0.0008","11.2184","0.0003","27.7219","0.0006","90","","109.155","0.002","90","","5846.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 N2 O8 U -","- C56 H76 N2 O8 U -","- C224 H304 N8 O32 U4 -","4","1","","Pattenaude, Scott A.; Kuehner, Christopher S.; Dorfner, Walter L.; Schelter, Eric J.; Fanwick, Phillip E.; Bart, Suzanne C.","Spectroscopic and Structural Elucidation of Uranium Dioxophenoxazine Complexes.","Inorganic chemistry","2015","54","13","6520","6527","10.1021/acs.inorgchem.5b00855","","","1.54178","CuKα","","0.0713","0.061","","","0.1782","0.1887","","","","","","1.082","","","","has coordinates","141341","2020-10-21","18:00:00",""
"4343434","14.4325","0.0002","26.4478","0.0004","14.9142","0.0002","90","","118.858","0.001","90","","4985.92","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H81 N O5 U -","- C51 H81 N O5 U -","- C204 H324 N4 O20 U4 -","4","1","","Pattenaude, Scott A.; Kuehner, Christopher S.; Dorfner, Walter L.; Schelter, Eric J.; Fanwick, Phillip E.; Bart, Suzanne C.","Spectroscopic and Structural Elucidation of Uranium Dioxophenoxazine Complexes.","Inorganic chemistry","2015","54","13","6520","6527","10.1021/acs.inorgchem.5b00855","","","0.71073","MoKα","","0.0721","0.0372","","","0.0756","0.0824","","","","","","1.018","","","","has coordinates","141341","2020-10-21","18:00:00",""
"4343435","9.0519","0.0014","25.534","0.004","13.824","0.002","90","","98.129","0.002","90","","3163.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 Lu N2 O2 -","- C35 H45 Lu N2 O2 -","- C140 H180 Lu4 N8 O8 -","4","1","","Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.","Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.","Inorganic chemistry","2015","54","14","6938","6946","10.1021/acs.inorgchem.5b00927","","","0.71073","MoKα","","0.0367","0.0255","","","0.0521","0.0559","","","","","","1.026","","","","has coordinates","154618","2020-10-21","18:00:00",""
"4343436","30.0993","0.0011","30.0993","0.0011","20.4326","0.0011","90","","90","","120","","16031.2","1.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C76 H92 Lu2 N6 O4 -","- C76 H92 Lu2 N6 O4 -","- C684 H828 Lu18 N54 O36 -","9","0.5","","Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.","Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.","Inorganic chemistry","2015","54","14","6938","6946","10.1021/acs.inorgchem.5b00927","","","0.71073","MoKα","","0.0647","0.0413","","","0.113","0.1348","","","","","","1.133","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4343437","14.6532","0.0009","19.839","0.0012","13.6696","0.0008","90","","90","","90","","3973.8","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H32 B F15 Lu N3 O2 -","- C39 H32 B F15 Lu N3 O2 -","- C156 H128 B4 F60 Lu4 N12 O8 -","4","1","","Lampland, Nicole L.; Zhu, Jing; Hovey, Megan; Jana, Barun; Ellern, Arkady; Sadow, Aaron D.","Piano-Stool Lutetium Amido and Imido Compounds Supported by a Constrained Bis(oxazoline)cyclopentadienyl Ligand.","Inorganic chemistry","2015","54","14","6938","6946","10.1021/acs.inorgchem.5b00927","","","0.71073","MoKα","","0.0364","0.0264","","","0.056","0.0594","","","","","","1.013","","","","has coordinates","154618","2020-10-21","18:00:00",""
"4343438","37.28","0.008","16.837","0.003","21.551","0.004","90","","92.991","0.003","90","","13509","5","188","2","188","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu6(M4)(BO3)(DMF)2(H2O)(BF4)]2(BF4)4*(DMF)6 (1)","","","- C102 H146 B8 Cu12 F24 N22 O30 -","- C84 H100 B8 Cu12 F25 N16 O24 -","- C336 H400 B32 Cu48 F100 N64 O96 -","4","0.5","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.1204","0.0674","","","0.1858","0.2036","","","","","","0.977","","","","has coordinates","152822","2020-10-21","18:00:00",""
"4343439","26.976","0.003","26.976","0.003","16.5285","0.0016","90","","90","","120","","10416.4","1.9","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","[Cu6(L)(BO3)(DMF)3]2[ClO4]6*6(DMF) (2)","","","- C54 H78 B Cl3 Cu6 N12 O27 -","- C54 H78 B Cl3 Cu6 N12 O27 -","- C324 H468 B6 Cl18 Cu36 N72 O162 -","6","0.333333","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.1083","0.0607","","","0.168","0.2012","","","","","","1.238","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4343440","32.74","0.005","15.232","0.002","33.008","0.004","90","","99.255","0.004","90","","16247","4","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu6BO3(L)(OH)(DMF)(H20)3]2[BF4]2*12(DMF)*8(EtOH)*4(H2O) (3)","","","- C148 H269 B6 Cu12 F16 N26 O52 -","- C96 H122 B6 Cu12 F16 N14 O28 -","- C384 H488 B24 Cu48 F64 N56 O112 -","4","0.5","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.1089","0.0618","","","0.1677","0.1838","","","","","","0.917","","","","has coordinates,has disorder","152822","2020-10-21","18:00:00",""
"4343441","14.9843","0.0018","14.7739","0.0018","33.108","0.004","90","","99.849","0.002","90","","7221.3","1.5","189","2","189","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu6L(BO3)OAc(OMe)HOMe]2[BF4]216H2O26CH3OH (5)","","","- C124 H264 B4 Cu12 F8 N12 O68 -","- C98 H126 B4 Cu12 F8 N12 O26 -","- C196 H252 B8 Cu24 F16 N24 O52 -","2","0.5","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.0894","0.0657","","","0.1849","0.1936","","","","","","1.155","","","","has coordinates","152822","2020-10-21","18:00:00",""
"4343442","12.0563","0.0012","16.7837","0.0017","14.0937","0.0014","90","","92.807","0.002","90","","2848.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu2(L)(BF4)(HOCH3)]BF4 (6)","","","- C25 H30 B2 Cu2 F8 N4 O5 -","- C25 H26 B2 Cu2 F8 N4 O5 -","- C100 H104 B8 Cu8 F32 N16 O20 -","4","1","","Tandon, Santokh S.; Bunge, Scott D.; Toth, Sara A.; Sanchiz, Joaquin; Thompson, Laurence K.; Shelley, Jacob T.","Antiferromagnetically Coupled Dimeric Dodecacopper Supramolecular Architectures of Macrocyclic Ligands with a Symmetrical μ6-BO3(3-) Central Moiety.","Inorganic chemistry","2015","54","14","6873","6884","10.1021/acs.inorgchem.5b00771","","","0.71073","MoKα","","0.0699","0.045","","","0.1149","0.1364","","","","","","0.823","","","","has coordinates,has disorder","152822","2020-10-21","18:00:00",""
"4343443","10.4554","0.0004","15.1881","0.0005","19.3831","0.0007","69.595","0.003","81.073","0.003","80.604","0.003","2830.03","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H55 Cl4 N3 O5 Sn2 W -","- C38 H43 Cl4 N3 O5 Sn2 W -","- C76 H86 Cl8 N6 O10 Sn4 W2 -","2","1","","Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus","N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.","Inorganic chemistry","2015","54","14","6792","6800","10.1021/acs.inorgchem.5b00678","","","0.71073","MoKα","","0.0419","0.0305","","","0.0692","0.0729","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343444","13.6795","0.0011","20.8554","0.0011","15.3528","0.0013","90","","115.788","0.01","90","","3943.8","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 Cl3 F3 N3 O3 S Sn -","- C35 H45 Cl3 F3 N3 O3 S Sn -","- C140 H180 Cl12 F12 N12 O12 S4 Sn4 -","4","1","","Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus","N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.","Inorganic chemistry","2015","54","14","6792","6800","10.1021/acs.inorgchem.5b00678","","","0.71073","MoKα","","0.0597","0.0357","","","0.0698","0.0752","","","","","","0.997","","","","has coordinates","154612","2020-10-21","18:00:00",""
"4343445","12.917","0.0008","13.372","0.0009","14.449","0.0011","105.776","0.005","105.341","0.005","96.303","0.005","2271.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H51 F6 N3 O6 S2 Sn -","- C35 H43 F6 N3 O6 S2 Sn -","- C70 H86 F12 N6 O12 S4 Sn2 -","2","1","","Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus","N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.","Inorganic chemistry","2015","54","14","6792","6800","10.1021/acs.inorgchem.5b00678","","","0.71073","MoKα","","0.05","0.0358","","","0.1067","0.1227","","","","","","0.945","","","","has coordinates","154612","2020-10-21","18:00:00",""
"4343446","17.023","0.0004","9.536","0.0002","19.046","0.0007","90","","116.735","0.005","90","","2761.24","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F6 N2 O7 S2 Sn -","- C22 H26 F6 N2 O7 S2 Sn -","- C88 H104 F24 N8 O28 S8 Sn4 -","4","1","","Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus","N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.","Inorganic chemistry","2015","54","14","6792","6800","10.1021/acs.inorgchem.5b00678","","","0.71073","MoKα","","0.0401","0.0288","","","0.0666","0.0729","","","","","","1.228","","","","has coordinates","154612","2020-10-21","18:00:00",""
"4343447","11.8221","0.0008","11.902","0.0006","12.66","0.0006","63.126","0.003","77.802","0.005","84.974","0.005","1553.03","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Cl3 N2 O6 Sn W -","- C25 H27 Cl3 N2 O6 Sn W -","- C50 H54 Cl6 N4 O12 Sn2 W2 -","2","1","","Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus","N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.","Inorganic chemistry","2015","54","14","6792","6800","10.1021/acs.inorgchem.5b00678","","","0.71073","MoKα","","0.0249","0.0224","","","0.0531","0.0558","","","","","","1.134","","","","has coordinates","154612","2020-10-21","18:00:00",""
"4343448","11.8538","0.0003","16.6879","0.0004","15.5122","0.0004","90","","90","","90","","3068.55","0.13","100.1","0.01","100.1","0.01","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ph6PNP_SSNO","","- C36 H30 N2 O P2 S2 -","- C36 H30 N2 O P2 S2 -","- C144 H120 N8 O4 P8 S8 -","4","0.5","","Wedmann, Rudolf; Zahl, Achim; Shubina, Tatyana E.; Dürr, Maximilian; Heinemann, Frank W.; Bugenhagen, Bernhard Eberhard Christian; Burger, Peter; Ivanovic-Burmazovic, Ivana; Filipovic, Milos R.","Does Perthionitrite (SSNO(-)) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.","Inorganic chemistry","2015","54","19","9367","9380","10.1021/acs.inorgchem.5b00831","","","0.71073","MoKα","","0.0432","0.0397","","","0.1069","0.1102","","","","","","1.063","","","","has coordinates,has disorder","170067","2020-10-21","18:00:00",""
"4343449","11.84799","0.00014","16.68438","0.00018","15.50866","0.00017","90","","90","","90","","3065.7","0.06","100","0.1","100","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H30 N2 O P2 S2 -","- C36 H30 N2 O P2 S2 -","- C144 H120 N8 O4 P8 S8 -","4","0.5","","Wedmann, Rudolf; Zahl, Achim; Shubina, Tatyana E.; Dürr, Maximilian; Heinemann, Frank W.; Bugenhagen, Bernhard Eberhard Christian; Burger, Peter; Ivanovic-Burmazovic, Ivana; Filipovic, Milos R.","Does Perthionitrite (SSNO(-)) Account for Sustained Bioactivity of NO? A (Bio)chemical Characterization.","Inorganic chemistry","2015","54","19","9367","9380","10.1021/acs.inorgchem.5b00831","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0943","0.0966","","","","","","1.043","","","","has coordinates","170067","2020-10-21","18:00:00",""
"4343450","4.454","0.001","6.1119","0.0014","7.8383","0.0018","102.02","0.003","97.21","0.003","91.75","0.003","206.7","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Co Ge H3 K O10 P2 -","- Co Ge H3 K O10 P2 -","- Co Ge H3 K O10 P2 -","1","0.5","","Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi","Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the ""Tailor Effect"" of Fluoride.","Inorganic chemistry","2015","54","14","6978","6985","10.1021/acs.inorgchem.5b00973","","","0.71073","MoKα","","0.0255","0.0251","","","0.064","0.0643","","","","","","1.076","","","","has coordinates","152825","2020-10-21","18:00:00",""
"4343451","9.968","0.004","16.193","0.006","12.75","0.004","90","","116.49","0.02","90","","1841.9","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- F2 Fe Ge2 H8 K4 O20 P4 -","- F2 Fe Ge2 H8 K4 O20 P4 -","- F8 Fe4 Ge8 H32 K16 O80 P16 -","4","1","","Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi","Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the ""Tailor Effect"" of Fluoride.","Inorganic chemistry","2015","54","14","6978","6985","10.1021/acs.inorgchem.5b00973","","","0.71073","MoKα","","0.0745","0.051","","","0.0995","0.1059","","","","","","1.028","","","","has coordinates","152825","2020-10-21","18:00:00",""
"4343452","9.946","0.004","16.132","0.007","12.653","0.004","90","","116.19","0.03","90","","1821.7","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co F2 Ge2 H8 K4 O20 P4 -","- Co F2 Ge2 H8 K4 O20 P4 -","- Co4 F8 Ge8 H32 K16 O80 P16 -","4","1","","Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi","Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the ""Tailor Effect"" of Fluoride.","Inorganic chemistry","2015","54","14","6978","6985","10.1021/acs.inorgchem.5b00973","","","0.71073","MoKα","","0.0567","0.0419","","","0.097","0.1025","","","","","","1.037","","","","has coordinates","152825","2020-10-21","18:00:00",""
"4343453","4.4538","0.0009","6.2232","0.0013","7.8158","0.0017","102.384","0.003","97.35","0.003","92.227","0.003","209.36","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe Ge H3 K O10 P2 -","- Fe Ge H3 K O10 P2 -","- Fe Ge H3 K O10 P2 -","1","0.5","","Huang, Chun-Zuo; Liu, Biao; Wen, Lei; Zhuang, Rong-Chuan; Zhao, Jing-Tai; Pan, Yuanming; Mi, Jin-Xiao; Huang, Ya-Xi","Dimensional Reduction From 2D Layer to 1D Band for Germanophosphates Induced by the ""Tailor Effect"" of Fluoride.","Inorganic chemistry","2015","54","14","6978","6985","10.1021/acs.inorgchem.5b00973","","","0.71073","MoKα","","0.0306","0.0298","","","0.0701","0.0706","","","","","","1.122","","","","has coordinates","152825","2020-10-21","18:00:00",""
"4343454","20.2254","0.0013","13.4796","0.0007","11.5855","0.0007","90","","95.455","0.005","90","","3144.3","0.3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N4 -","- C18 H18 Fe N4 -","- C144 H144 Fe8 N32 -","8","1","","Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.","Inorganic chemistry","2015","54","14","6917","6927","10.1021/acs.inorgchem.5b00898","","","0.71073","MoKα","","0.0455","0.0332","","","0.0772","0.081","","","","","","0.999","","","","has coordinates,has disorder","154616","2020-10-21","18:00:00",""
"4343455","7.5711","0.0004","10.5855","0.0006","11.6715","0.0007","71.361","0.004","78.379","0.005","74.926","0.004","848.65","0.09","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F6 Fe N4 -","- C18 H12 F6 Fe N4 -","- C36 H24 F12 Fe2 N8 -","2","1","","Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.","Inorganic chemistry","2015","54","14","6917","6927","10.1021/acs.inorgchem.5b00898","","","0.71073","MoKα","","0.0342","0.0303","","","0.081","0.0824","","","","","","1.042","","","","has coordinates","154616","2020-10-21","18:00:00",""
"4343456","13.6532","0.0003","14.9651","0.0004","25.3487","0.0006","78.853","0.002","85.338","0.002","84.749","0.002","5049.5","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H53 Cu6 Fe3 N12 O0.5 -","- C56 H53 Cu6 Fe3 N12 O0.5 -","- C224 H212 Cu24 Fe12 N48 O2 -","4","2","","Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.","Inorganic chemistry","2015","54","14","6917","6927","10.1021/acs.inorgchem.5b00898","","","0.71073","MoKα","","0.0426","0.0312","","","0.0711","0.0745","","","","","","0.969","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343457","14.885","0.001","15.5254","0.0011","16.6611","0.0012","82.301","0.006","67.97","0.005","62.238","0.005","3154.4","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H41 Ag6 F18 Fe3 N13 O2 -","- C58 H41 Ag6 F18 Fe3 N13 O2 -","- C116 H82 Ag12 F36 Fe6 N26 O4 -","2","1","","Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.","Inorganic chemistry","2015","54","14","6917","6927","10.1021/acs.inorgchem.5b00898","","","0.71073","MoKα","","0.059","0.0328","","","0.0562","0.0613","","","","","","0.928","","","","has coordinates,has disorder","154616","2020-10-21","18:00:00",""
"4343458","18.5386","0.0008","30.4147","0.0011","20.9523","0.0006","90","","90.984","0.003","90","","11812.1","0.7","123","2","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C86.25 H45.5 Ag2 Al2 Cl1.5 F72 Mo2 N6 O12 P2 -","- C86.25 H45.5 Ag2 Al2 Cl1.5 F72 Mo2 N6 O12 P2 -","- C345 H182 Ag8 Al8 Cl6 F288 Mo8 N24 O48 P8 -","4","1","","Attenberger, Bianca; Peresypkina, Eugenia V.; Scheer, Manfred","Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials Based on Polyphosphorus Complexes.","Inorganic chemistry","2015","54","14","7021","7029","10.1021/acs.inorgchem.5b01048","","","1.54178","CuKα","","0.108","0.0688","","","0.18","0.1966","","","","","","0.943","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343459","18.7262","0.0008","34.1911","0.0011","19.0465","0.0006","90","","107.821","0.004","90","","11609.7","0.8","123","0.2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C42.3 H20.6 Ag Al Cl0.6 F36 Mo2 N2 O8 P2 -","- C42.3 H20.6 Ag Al Cl0.6 F36 Mo2 N2 O8 P2 -","- C338.4 H164.8 Ag8 Al8 Cl4.8 F288 Mo16 N16 O64 P16 -","8","2","","Attenberger, Bianca; Peresypkina, Eugenia V.; Scheer, Manfred","Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials Based on Polyphosphorus Complexes.","Inorganic chemistry","2015","54","14","7021","7029","10.1021/acs.inorgchem.5b01048","","","1.54178","CuKα","","0.087","0.0645","","","0.1722","0.1849","","","","","","1.019","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343460","19.4449","0.0004","25.5505","0.0005","29.8544","0.0006","65.535","0.002","72.902","0.002","87.29","0.002","12856.7","0.5","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C50.63 H28.7 Ag Al Cl0.15 F36 Mo2 N2 O8 P2 -","- C50.625 H28.7 Ag Al Cl0.15 F36 Mo2 N2 O8 P2 -","- C405 H229.6 Ag8 Al8 Cl1.2 F288 Mo16 N16 O64 P16 -","8","4","","Attenberger, Bianca; Peresypkina, Eugenia V.; Scheer, Manfred","Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials Based on Polyphosphorus Complexes.","Inorganic chemistry","2015","54","14","7021","7029","10.1021/acs.inorgchem.5b01048","","","1.54178","CuKα","","0.0617","0.0508","","","0.129","0.1403","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343461","8.4459","0.0003","8.4852","0.0003","14.5051","0.0006","95.139","0.002","104.494","0.002","92.145","0.002","1000.45","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Mo N4 S2 -","- C20 H24 Mo N4 S2 -","- C40 H48 Mo2 N8 S4 -","2","1","","Pushkarevsky, Nikolay A.; Semenov, Nikolay A.; Dmitriev, Alexey A.; Kuratieva, Natalia V.; Bogomyakov, Artem S.; Irtegova, Irina G.; Vasilieva, Nadezhda V.; Bode, Bela E.; Gritsan, Nina P.; Konstantinova, Lidia S.; Woollins, J. Derek; Rakitin, Oleg A.; Konchenko, Sergey N.; Ovcharenko, Victor I.; Zibarev, Andrey V.","Synthesis and Properties of the Heterospin (S1 = S2 = (1)/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl.","Inorganic chemistry","2015","54","14","7007","7013","10.1021/acs.inorgchem.5b01033","","x-ray","0.71073","MoKα","","0.0493","0.0352","","","0.07","0.074","","","","","","0.981","","","","has coordinates","152823","2020-10-21","18:00:00",""
"4343462","11.2653","0.0007","11.6614","0.0007","16.0442","0.001","81.084","0.001","80.112","0.001","85.959","0.001","2049.2","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 F8 P4 Pd -","- C42 H38 F8 P4 Pd -","- C84 H76 F16 P8 Pd2 -","2","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0392","0.0288","","","0.0627","0.0657","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343463","8.3661","0.0008","16.8911","0.0017","27.685","0.003","90","","94.591","0.002","90","","3899.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 F8 P4 Pd -","- C42 H38 F8 P4 Pd -","- C168 H152 F32 P16 Pd4 -","4","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0752","0.0616","","","0.1299","0.1343","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343464","12.2199","0.0005","23.9832","0.0011","14.2228","0.0006","90","","90","","90","","4168.3","0.3","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Cl Cu F8 P4 Pd -","- C42 H39 Cl Cu F8 P4 Pd -","- C168 H156 Cl4 Cu4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0495","0.0306","","","0.061","0.0654","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343465","12.1311","0.0016","24.24","0.003","14.3081","0.0019","90","","90","","90","","4207.4","0.9","191","2","191","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Ag Cl F8 P4 Pd -","- C42 H38 Ag Cl F8 P4 Pd -","- C168 H152 Ag4 Cl4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0494","0.0293","","","0.0598","0.0644","","","","","","1.03","","","","has coordinates","152828","2020-10-21","18:00:00",""
"4343466","12.1772","0.001","24.117","0.002","14.2573","0.0012","90","","90","","90","","4187","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C42 H38 Au Cl F8 P4 Pd -","- C42 H38 Au Cl F8 P4 Pd -","- C168 H152 Au4 Cl4 F32 P16 Pd4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0527","0.0337","","","0.0613","0.065","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343467","11.364","0.003","36.484","0.009","36.234","0.01","90","","91.993","0.008","90","","15014","7","151","2","151","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C147 H156 Cu3 F42 O5.25 P15 Pd3 -","- C134 H130 Cu3 F42 O2 P15 Pd3 -","- C536 H520 Cu12 F168 O8 P60 Pd12 -","4","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.1006","0.0606","","","0.137","0.151","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343468","21.0372","0.0008","13.3638","0.0005","21.5548","0.0008","90","","113.033","0.001","90","","5576.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Ag F14 P5 Pd -","- C57 H53 Ag F14 P5 Pd -","- C228 H212 Ag4 F56 P20 Pd4 -","4","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0256","0.02","","","0.0452","0.0514","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343469","18.1286","0.0018","21.628","0.002","22.77","0.002","90","","90","","90","","8927.8","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H38 Au F14 P5 Pd -","- C42 H38 Au F14 P5 Pd -","- C336 H304 Au8 F112 P40 Pd8 -","8","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0777","0.0375","","","0.059","0.0688","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343470","17.5181","0.0009","16.6341","0.0009","16.8646","0.0009","90","","90","","90","","4914.3","0.5","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C44 H40 Ag Cl2 F11 O3 P4 Pd S -","- C43 H38 Ag F11 O3 P4 Pd S -","- C172 H152 Ag4 F44 O12 P16 Pd4 S4 -","4","0.5","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0395","0.0305","","","0.0764","0.0799","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343471","10.8499","0.0006","16.4121","0.001","13.7809","0.0008","90","","102.278","0.001","90","","2397.8","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H40 Ag Cl2 F11 O2 P4 Pd -","- C45 H40 Ag Cl2 F11 O2 P4 Pd -","- C90 H80 Ag2 Cl4 F22 O4 P8 Pd2 -","2","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0581","0.0434","","","0.0929","0.0998","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343472","16.2013","0.0008","17.9786","0.0009","16.8757","0.0008","90","","102.028","0.001","90","","4807.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 Au2 Cl4 F8 P4 Pd -","- C43 H40 Au2 Cl4 F8 P4 Pd -","- C172 H160 Au8 Cl16 F32 P16 Pd4 -","4","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0438","0.0263","","","0.0481","0.0508","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343473","14.6768","0.0005","14.8208","0.0005","18.3838","0.0007","90","","91.444","0.001","90","","3997.6","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Au Cl F8 P3 Pd -","- C42 H32 Au Cl F8 P3 Pd -","- C168 H128 Au4 Cl4 F32 P12 Pd4 -","4","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0266","0.0185","","","0.0391","0.0406","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343474","11.1644","0.0006","13.5493","0.0007","17.6853","0.0009","73.943","0.001","81.632","0.001","69.843","0.001","2409.7","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H35 Au Cl F8 P3 Pd -","- C54 H35 Au Cl F8 P3 Pd -","- C108 H70 Au2 Cl2 F16 P6 Pd2 -","2","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0281","0.0215","","","0.0471","0.0493","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343475","17.7579","0.0017","17.7579","0.0017","157.59","0.016","90","","90","","120","","43037","7","150","2","150","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C216 H336 F24 Fe2 N14 O42 P4 S30 -","- C156.006 H156.108 F24.0012 Fe2 N14 O12 P4.0002 -","- C936.036 H936.648 F144.007 Fe12 N84 O72 P24.0012 -","6","0.166667","","Glasson, Christopher R. K.; Meehan, George V.; Davies, Murray; Motti, Cherie A.; Clegg, Jack K.; Lindoy, Leonard F.","Post-Assembly Covalent Di- and Tetracapping of a Dinuclear [Fe2L3](4+) Triple Helicate and Two [Fe4L6](8+) Tetrahedra Using Sequential Reductive Aminations.","Inorganic chemistry","2015","54","14","6986","6992","10.1021/acs.inorgchem.5b00940","","","0.71073","MoKα","","0.1455","0.1276","","","0.3321","0.3567","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343476","45.269","0.006","45.269","0.006","6.9415","0.0014","90","","90","","120","","12319","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H132 Cl6 Cu6 N18 O48 -","- C120 H132 Cl6 Cu6 N18 O48 -","- C360 H396 Cl18 Cu18 N54 O144 -","3","0.166667","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0591","0.0522","","","0.1471","0.1518","","","","","","1.052","","","","has coordinates","152819","2020-10-21","18:00:00",""
"4343477","25.5897","0.0019","25.5897","0.0019","14.4432","0.0011","90","","90","","120","","8190.8","1.1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C84 H84 Cl4 Cu4 N12 O26 -","- C84 H84 Cl4 Cu4 N12 O26 -","- C252 H252 Cl12 Cu12 N36 O78 -","3","0.25","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0659","0.0589","","","0.178","0.1843","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343478","15.5447","0.0015","9.9691","0.001","41.113","0.004","90","","90.601","0.003","90","","6370.8","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl2 Cu2 N6 O13 -","- C52 H62 Cl2.017 Cu2 N6 O13.068 -","- C208 H248 Cl8.068 Cu8 N24 O52.272 -","4","1","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.1093","0.0938","","","0.2305","0.2384","","","","","","1.09","","","","has coordinates,has disorder","152819","2020-10-21","18:00:00",""
"4343479","20.797","0.006","31.115","0.01","15.688","0.005","90","","107.596","0.006","90","","9677","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cl4 Cu4 N12 O27 -","- C84 H84 Cl4 Cu4 N12 O27 -","- C336 H336 Cl16 Cu16 N48 O108 -","4","0.5","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0841","0.0727","","","0.1967","0.2047","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343480","7.1195","0.0009","17.584","0.002","18.791","0.002","105.772","0.002","95.212","0.003","96.396","0.003","2231.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H92 Cl4 Cu4 N12 O32 -","- C78 H92 Cl4 Cu4 N12 O32 -","- C78 H92 Cl4 Cu4 N12 O32 -","1","0.5","","Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy","Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.","Inorganic chemistry","2015","54","14","6680","6686","10.1021/ic502552y","","","0.71073","MoKα","","0.0579","0.045","","","0.1191","0.1305","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343481","21.312","0.005","14.111","0.004","25.056","0.006","90","","97.197","0.003","90","","7476","3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pd(k1-N-m-ClC6H4NO)2(CNArDipp2)2","","","- C82 H102 Cl2 N4 O4 Pd -","- C82 H102 Cl2 N4 O4 Pd -","- C328 H408 Cl8 N16 O16 Pd4 -","4","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.1053","0.0742","","","0.1961","0.219","","","","","","1.055","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343482","12.13","0.002","24.738","0.004","12.783","0.002","90","","99.112","0.003","90","","3787.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pd(k1-N-m-BrArNO)2(CNArDipp2)2","","","- C82 H102 Br2 N4 O4 Pd -","- C82 H102 Br2 N4 O4 Pd -","- C164 H204 Br4 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.103","0.0554","","","0.1253","0.1466","","","","","","1.022","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343483","17.7788","0.0009","16.2474","0.0006","24.6849","0.0011","90","","107.67","0.002","90","","6794.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pd(k1-N-m-COHArNO)2(CNArDipp2)2","","","- C76 H84 N4 O4 Pd -","- C76 H84 N4 O4 Pd -","- C304 H336 N16 O16 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.1106","0.044","","","0.0928","0.1308","","","","","","0.983","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343484","14.1466","0.0014","17.591","0.0018","17.0139","0.0018","90","","114.09","0.001","90","","3865.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(k1-N-p-BrArNO)2(CNArDipp2)2","","","- C82 H102 Br2 N4 O4 Pd -","- C82 H102 Br2 N4 O4 Pd -","- C164 H204 Br4 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0684","0.0422","","","0.1069","0.1237","","","","","","1.039","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343485","13.967","0.003","17.49","0.004","16.936","0.005","90","","114.091","0.003","90","","3776.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(k1-N-p-ClC6H4NO)2(CNArDipp2)2","","","- C82 H102 Cl2 N4 O4 Pd -","- C82 H102 Cl2 N4 O4 Pd -","- C164 H204 Cl4 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0535","0.0367","","","0.0853","0.0938","","","","","","1.021","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343486","13.8874","0.001","17.1486","0.0012","16.7177","0.0012","90","","113.685","0.003","90","","3646","0.5","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pd(k1-N-p-FC6H4NO)2(CNArDipp2)2","","","- C82 H102 F2 N4 O4 Pd -","- C82 H102 F2 N4 O4 Pd -","- C164 H204 F4 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0745","0.0425","","","0.0884","0.1023","","","","","","1.005","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343487","31.302","0.003","16.7984","0.0013","16.9621","0.0013","90","","101.541","0.004","90","","8738.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(k1-N-p-PhC6H4NO)2(CNArDipp2)2","","","- C102 H132 N4 O6 Pd -","- C86 H92 N4 O2 Pd -","- C344 H368 N16 O8 Pd4 -","4","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0643","0.044","","","0.1182","0.1252","","","","","","1.037","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343488","13.973","0.002","17.461","0.003","16.912","0.003","90","","113.135","0.002","90","","3794.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pd(k1-N-p-MeArNO)2(CNArDipp2)2","","","- C84 H108 N4 O4 Pd -","- C84 H108 N4 O4 Pd -","- C168 H216 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0862","0.0518","","","0.117","0.1332","","","","","","1.027","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343489","14.3005","0.0009","17.108","0.0011","16.6238","0.0011","90","","113.702","0.002","90","","3724","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(k1-N-p-COHC6H4NO)2(CNArDipp2)2","","","- C76 H84 N4 O4 Pd -","- C76 H84 N4 O4 Pd -","- C152 H168 N8 O8 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0822","0.0559","","","0.1523","0.1662","","","","","","1.051","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343490","14.702","0.0014","16.958","0.0015","16.2845","0.0015","90","","112.81","0.005","90","","3742.5","0.6","90","2","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pd(k1-N-p-CNC6H4NO)2(CNArDipp2)2","","","- C88 H112 N6 O5 Pd -","- C76 H82 N6 O2 Pd -","- C152 H164 N12 O4 Pd2 -","2","0.5","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0567","0.0394","","","0.1205","0.1542","","","","","","1.152","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343491","25.3884","0.0011","11.7589","0.0005","19.8229","0.0009","90","","98.724","0.001","90","","5849.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pd(h2-N,O-PhNO)(CNArDipp2)2","","","- C68 H79 N3 O Pd -","- C68 H79 N3 O Pd -","- C272 H316 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.046","0.0345","","","0.0848","0.0942","","","","","","1.019","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343492","25.558","0.0007","11.789","0.0003","20.017","0.0005","90","","100.393","0.0011","90","","5932.2","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(h2-N,O-m-ClC6H4NO)(CNArDipp2)2","","","- C68 H78 Cl N3 O Pd -","- C68 H78 Cl N3 O Pd -","- C272 H312 Cl4 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0546","0.0419","","","0.1002","0.1081","","","","","","1.024","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343493","25.8348","0.0008","11.8191","0.0003","20.1027","0.0005","90","","102.268","0.001","90","","5998.1","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd(h2-N,O-m-BrC6H4NO)(CNArDipp2)2","","","- C68 H78 Br N3 O Pd -","- C68 H78 Br N3 O Pd -","- C272 H312 Br4 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0588","0.0398","","","0.0989","0.1155","","","","","","1.061","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343494","11.7787","0.0007","13.4861","0.0008","20.8151","0.0013","72.022","0.002","77.91","0.002","76.771","0.002","3027","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","Pd(h2-N,O-m-Me-C6H4NO)(CNArDipp2)2","","","- C69 H81 N3 O Pd -","- C69 H81 N3 O Pd -","- C138 H162 N6 O2 Pd2 -","2","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0333","0.0282","","","0.0808","0.0966","","","","","","1.208","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343495","25.6611","0.001","11.7309","0.0004","20.0171","0.0008","90","","99.014","0.001","90","","5951.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pd(m-C(O)H-C6H4NO)(CNArDipp2)2","","- C69 H79 N3 O2 Pd -","- C69 H79 N3 O2 Pd -","- C276 H316 N12 O8 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0465","0.0396","","","0.1031","0.1076","","","","","","1.077","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343496","16.7271","0.0011","17.1511","0.0014","21.9018","0.0015","90","","93.309","0.004","90","","6272.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pd(h2-N,O-p-ClC6H4NO)(CNArDipp2)2","","","- C71 H81 Cl N3 O Pd -","- C71 H81 Cl N3 O Pd -","- C284 H324 Cl4 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","","0.71073","MoKα","","0.0592","0.0373","","","0.0843","0.0997","","","","","","1.08","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343497","14.0835","0.0008","20.4568","0.0008","21.97","0.0011","90","","95.09","0.003","90","","6304.7","0.5","100","2","100","","","","","","","","","6","C 1 c 1","C -2yc","9","Pd(h2-N,O-p-FC6H4NO)(CNArDipp2)2","","","- C74 H84 F N3 O Pd -","- C74 H84 F N3 O Pd -","- C296 H336 F4 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.0716","0.0697","","","0.165","0.1707","","","","","","1.304","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343498","14.2644","0.0008","20.3118","0.0008","22.2729","0.001","90","","96.404","0.003","90","","6413","0.5","90","2","90","","","","","","","","","5","C 1 c 1","C -2yc","9","Pd(h2-N,O-p-Me-C6H4NO)(CNArDipp2)2","","","- C75 H87 N3 O Pd -","- C75 H87 N3 O Pd -","- C300 H348 N12 O4 Pd4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","0.71073","MoKα","","0.043","0.0367","","","0.0995","0.1254","","","","","","1.208","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343499","18.3452","0.0003","8.2117","0.0001","20.3727","0.0003","90","","104.632","0.001","90","","2969.52","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","OCNArDipp2","","","- C32 H39 Cl2 N O -","- C32 H39 Cl2 N O -","- C128 H156 Cl8 N4 O4 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","1.54178","CuKα","","0.041","0.0352","","","0.0903","0.0958","","","","","","1.036","","","","has coordinates","152814","2020-10-21","18:00:00",""
"4343500","17.368","0.003","18.616","0.003","30.754","0.006","90","","97.594","0.009","90","","9856","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Pd(PhNO)(CNArDipp2)]3","","","- C111 H126 N6 O3 Pd3 -","- C111 H126 N6 O3 Pd3 -","- C444 H504 N24 O12 Pd12 -","4","1","","Barnett, Brandon R.; Labios, Liezel A.; Moore, Curtis E.; England, Jason; Rheingold, Arnold L.; Wieghardt, Karl; Figueroa, Joshua S.","Solution Dynamics of Redox Noninnocent Nitrosoarene Ligands: Mapping the Electronic Criteria for the Formation of Persistent Metal-Coordinated Nitroxide Radicals.","Inorganic chemistry","2015","54","14","7110","7121","10.1021/acs.inorgchem.5b01252","","x-ray","1.54184","CuKα","","0.0933","0.085","","","0.2057","0.2133","","","","","","1.137","","","","has coordinates,has disorder","152814","2020-10-21","18:00:00",""
"4343501","13.5781","0.0018","13.945","0.0018","20.821","0.003","90","","94.25","0.002","90","","3931.5","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TiCoLiPr","","","- C39 H60 Co N4 P3 Ti -","- C39 H60 Co N4 P3 Ti -","- C156 H240 Co4 N16 P12 Ti4 -","4","1","","Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.","Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.","Inorganic chemistry","2015","54","19","9263","9270","10.1021/acs.inorgchem.5b00983","","","0.71073","MoKα","","0.1001","0.0527","","","0.117","0.1397","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343502","63.552","0.002","11.0817","0.0004","18.9917","0.0007","90","","90","","90","","13375.2","0.8","123","2","123","2","","","","","","","","8","P n a 21","P 2c -2n","33","CoVN2[K(crypt)]","","","- C61 H104 Co K N8 O7 P3 V -","- C61 H104 Co K N8 O7 P3 V -","- C488 H832 Co8 K8 N64 O56 P24 V8 -","8","2","","Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.","Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.","Inorganic chemistry","2015","54","19","9263","9270","10.1021/acs.inorgchem.5b00983","","","1.54178","CuKα","","0.0529","0.044","","","0.1054","0.1096","","","","","","1.01","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343503","11.2453","0.0003","31.9918","0.0007","18.978","0.0004","90","","95.042","0.001","90","","6801.1","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C114 H192 Co2 Cr2 K2 N16 O12 P6 -","- C114 H192 Co2 Cr2 K2 N16 O12 P6 -","- C228 H384 Co4 Cr4 K4 N32 O24 P12 -","2","1","","Clouston, Laura J.; Bernales, Varinia; Carlson, Rebecca K.; Gagliardi, Laura; Lu, Connie C.","Bimetallic Cobalt-Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation.","Inorganic chemistry","2015","54","19","9263","9270","10.1021/acs.inorgchem.5b00983","","","1.54178","CuKα","","0.0558","0.047","","","0.113","0.1177","","","","","","1.065","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343504","13.442","0.005","17.306","0.005","14.691","0.005","90","","90","","90","","3418","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Ho2 N32 -","- C49 H58 B6 Cl2 Ho2 N32 -","- C98 H116 B12 Cl4 Ho4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0565","0.0418","","0.0539","0.0448","0.0429","","","","","","1.0926","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343505","13.663","0.005","17.178","0.005","14.661","0.005","90","","90","","90","","3441","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C25 H30 B3 Cl2 N16 Yb -","- C25 H30 B3 Cl2 N16 Yb -","- C100 H120 B12 Cl8 N64 Yb4 -","4","0.5","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0382","0.0318","","0.0421","0.0335","0.0326","","","","","","1.0766","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343506","13.372","0.005","17.327","0.005","14.665","0.005","90","","90","","90","","3398","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Gd2 N32 -","- C49 H58 B6 Cl2 Gd2 N32 -","- C98 H116 B12 Cl4 Gd4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.096","0.0612","","0.0773","0.0551","0.051","","","","","","1.1051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343507","13.396","0.005","17.295","0.005","14.667","0.005","90","","90","","90","","3398","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Dy2 N32 -","- C49 H58 B6 Cl2 Dy2 N32 -","- C98 H116 B12 Cl4 Dy4 N64 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0518","0.0389","","0.0439","0.0378","0.036","","","","","","1.1019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343508","13.364","0.005","17.328","0.005","14.669","0.005","90","","90","","90","","3397","2","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C49 H58 B6 Cl2 Ho2 N32 -","- C49 H58 B6 Cl2 N32 Tb2 -","- C98 H116 B12 Cl4 N64 Tb4 -","2","0.25","","Lannes, Anthony; Luneau, Dominique","New Family of Lanthanide-Based Complexes with Different Scorpionate-Type Ligands: A Rare Case Where Dysprosium and Ytterbium Analogues Display Single-Ion-Magnet Behavior.","Inorganic chemistry","2015","54","14","6736","6743","10.1021/acs.inorgchem.5b00432","","","0.71069","MoKα","","0.0363","0.0313","","0.039","0.034","0.0332","","","","","","1.0875","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343509","17.6719","0.0003","3.8006","0.0002","11.8924","0.0009","90","0.005","95.295","0.007","90","0.005","795.33","0.08","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Nb2 O7 Ti -","- Nb1.999 O7 Ti1.001 -","- Nb11.994 O42 Ti6.006 -","6","0.75","","Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard","Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.","Inorganic chemistry","2015","54","14","6836","6848","10.1021/acs.inorgchem.5b00733","","","0.71073","MoKα","","0.0286","0.0213","","","0.0429","0.0453","","","","","","1.001","","","","has coordinates","154613","2020-10-21","18:00:00",""
"4343510","17.6624","0.0012","3.8012","0.0003","11.829","0.0009","90","","95.135","0.007","90","","790.99","0.1","293","2","293","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- O7 Ta2 Ti -","- O7 Ta1.99933 Ti1.00067 -","- O42 Ta11.996 Ti6.004 -","6","0.75","","Perfler, Lukas; Kahlenberg, Volker; Wikete, Christoph; Schmidmair, Daniela; Tribus, Martina; Kaindl, Reinhard","Nanoindentation, High-Temperature Behavior, and Crystallographic/Spectroscopic Characterization of the High-Refractive-Index Materials TiTa2O7 and TiNb2O7.","Inorganic chemistry","2015","54","14","6836","6848","10.1021/acs.inorgchem.5b00733","","x-ray","0.71073","MoKα","","0.0334","0.0296","","","0.0626","0.0643","","","","","","1.247","","","","has coordinates","154613","2020-10-21","18:00:00",""
"4343511","11.2947","0.0009","13.2298","0.001","13.251","0.002","97.863","0.008","115.104","0.006","93.743","0.006","1759.3","0.3","100","2","100","2","","","","","","","hexane","5","P -1","-P 1","2","","","","- C38 H56 Fe N2 P2 -","- C38 H56 Fe N2 P2 -","- C76 H112 Fe2 N4 P4 -","2","1","","Weber, Katharina; Weyhermüller, Thomas; Bill, Eckhard; Erdem, Özlen F; Lubitz, Wolfgang","Design and Characterization of Phosphine Iron Hydrides: Toward Hydrogen-Producing Catalysts.","Inorganic chemistry","2015","54","14","6928","6937","10.1021/acs.inorgchem.5b00911","","","0.71073","MoKα","","0.106","0.0573","","","0.1293","0.1523","","","","","","1.044","","","","has coordinates","154615","2020-10-21","18:00:00",""
"4343512","13.308","0.002","21.07","0.003","22.908","0.003","90","","90","","90","","6423.4","1.6","100","2","100","2","","","","","","","hexane","5","P b c a","-P 2ac 2ab","61","","","","- C38 H44 Fe N2 P2 -","- C38 H44 Fe N2 P2 -","- C304 H352 Fe8 N16 P16 -","8","1","","Weber, Katharina; Weyhermüller, Thomas; Bill, Eckhard; Erdem, Özlen F; Lubitz, Wolfgang","Design and Characterization of Phosphine Iron Hydrides: Toward Hydrogen-Producing Catalysts.","Inorganic chemistry","2015","54","14","6928","6937","10.1021/acs.inorgchem.5b00911","","","0.71073","MoKα","","0.0511","0.0379","","","0.0894","0.0979","","","","","","1.074","","","","has coordinates","154615","2020-10-21","18:00:00",""
"4343513","13.1831","0.001","13.2434","0.0009","13.4648","0.0008","95.545","0.005","116.869","0.004","111.468","0.006","1851.8","0.3","100","2","100","2","","","","","","","tetrahydrofuran,hexane","7","P -1","-P 1","2","","","","- C40 H59 Cl Fe N2 O0.5 P2 -","- C40 H59 Cl Fe N2 O0.5 P2 -","- C80 H118 Cl2 Fe2 N4 O P4 -","2","1","","Weber, Katharina; Weyhermüller, Thomas; Bill, Eckhard; Erdem, Özlen F; Lubitz, Wolfgang","Design and Characterization of Phosphine Iron Hydrides: Toward Hydrogen-Producing Catalysts.","Inorganic chemistry","2015","54","14","6928","6937","10.1021/acs.inorgchem.5b00911","","","0.71073","MoKα","","0.0396","0.0321","","","0.0804","0.0854","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343514","27.981","0.003","8.1197","0.0008","13.607","0.0015","90","","96.908","0.005","90","","3069","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 I1.5 N2 S12 -","- C26 H14 I1.5 N2 S12 -","- C104 H56 I6 N8 S48 -","4","1","","Oliveira, Sandrina; Ministro, José; Santos, Isabel C.; Belo, Dulce; Lopes, Elsa B.; Rabaça, Sandra; Canadell, Enric; Almeida, Manuel","Bilayer Molecular Metals Based on Dissymmetrical Electron Donors.","Inorganic chemistry","2015","54","14","6677","6679","10.1021/acs.inorgchem.5b01240","","","0.71073","MoKα","","0.1493","0.1329","","","0.319","0.3285","","","","","","1.116","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343515","4.8667","0.0011","5.7923","0.0012","27.507","0.006","90.263","0.008","91.578","0.008","95.453","0.007","771.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl0.25 N O S6 -","- C13 H7 Cl0.25 N O S6 -","- C26 H14 Cl0.5 N2 O2 S12 -","2","1","","Oliveira, Sandrina; Ministro, José; Santos, Isabel C.; Belo, Dulce; Lopes, Elsa B.; Rabaça, Sandra; Canadell, Enric; Almeida, Manuel","Bilayer Molecular Metals Based on Dissymmetrical Electron Donors.","Inorganic chemistry","2015","54","14","6677","6679","10.1021/acs.inorgchem.5b01240","","","0.71073","MoKα","","0.1073","0.0746","","","0.1969","0.2088","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343516","4.8507","0.0012","5.8341","0.0013","28.44","0.006","89.122","0.008","89.403","0.009","85.026","0.009","801.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 F3 N2 P0.5 S12 -","- C26 H14 F3 N2 P0.5 S12 -","- C26 H14 F3 N2 P0.5 S12 -","1","0.5","","Oliveira, Sandrina; Ministro, José; Santos, Isabel C.; Belo, Dulce; Lopes, Elsa B.; Rabaça, Sandra; Canadell, Enric; Almeida, Manuel","Bilayer Molecular Metals Based on Dissymmetrical Electron Donors.","Inorganic chemistry","2015","54","14","6677","6679","10.1021/acs.inorgchem.5b01240","","","0.71073","MoKα","","0.1485","0.1117","","","0.2361","0.2475","","","","","","1.108","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343517","14.0771","0.0012","27.041","0.002","24.569","0.002","90","","102.344","0.002","90","","9136.2","1.3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H82 Ca10 Cu2 Mo36 N8 O175 P12 -","- C8 H82 Ca10 Cu2 Mo36 N8 O175 P12 -","- C16 H164 Ca20 Cu4 Mo72 N16 O350 P24 -","2","0.25","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71072","MoKα","","0.0728","0.0855","","","0.1037","0.1101","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343518","32.334","0.003","21.7718","0.0017","12.1888","0.001","90","","90","","90","","8580.5","1.3","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H30 Ca Fe Mo18 N6 O78 P6 -","- C10 H30 Ca Fe Mo18 N6 O78 P6 -","- C40 H120 Ca4 Fe4 Mo72 N24 O312 P24 -","4","0.5","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71073","MoKα","","0.0718","0.0633","","","0.092","0.1024","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343519","16.669","0.008","14.021","0.007","21.701","0.01","90","","104.734","0.008","90","","4905","4","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Ca Cu Mo18 N12 O77 P6 -","- C36 H68 Ca Cu Mo18 N12 O77 P6 -","- C72 H136 Ca2 Cu2 Mo36 N24 O154 P12 -","2","1","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71","MoKα","","0.053","0.0405","","","0.075","0.0814","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343520","22.503","0.005","13.701","0.003","30.208","0.006","90","","97.611","0.004","90","","9231","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Ca Fe Mo18 N12 O79 P6 -","- C30 H60 Ca Fe Mo18 N12 O79 P6 -","- C120 H240 Ca4 Fe4 Mo72 N48 O316 P24 -","4","1","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.","Inorganic chemistry","2015","54","14","6744","6757","10.1021/acs.inorgchem.5b00508","","","0.71073","MoKα","","0.0795","0.0626","","","0.097","0.1049","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343521","17.3591","0.0008","14.2198","0.0005","16.0344","0.0008","90","","116.508","0.006","90","","3541.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl6 N5 O Pt3 S -","- C25 H27 Cl6 N5 O Pt3 S -","- C100 H108 Cl24 N20 O4 Pt12 S4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.","A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.","Inorganic chemistry","2015","54","14","6671","6673","10.1021/acs.inorgchem.5b01032","","","1.54184","CuKα","","0.0929","0.0621","","","0.1543","0.1892","","","","","","0.856","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343522","26.4467","0.0004","7.152","0.0002","17.9404","0.0002","90","","97.794","0.002","90","","3362.02","0.11","100","0.1","100","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 Cl F3 N3 O3 Pt S -","- C13 H13 Cl F3 N3 O3 Pt S -","- C104 H104 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.","A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.","Inorganic chemistry","2015","54","14","6671","6673","10.1021/acs.inorgchem.5b01032","","","1.54184","CuKα","","0.0645","0.063","","","0.1663","0.1779","","","","","","1.399","","","","has coordinates","154620","2020-10-21","18:00:00",""
"4343523","6.862","0.0004","23.8454","0.0012","7.281","0.0005","90","","98.685","0.005","90","","1177.71","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 Pt -","- C11 H10 Cl2 N2 Pt -","- C44 H40 Cl8 N8 Pt4 -","4","1","","Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.","A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.","Inorganic chemistry","2015","54","14","6671","6673","10.1021/acs.inorgchem.5b01032","","","1.54184","CuKα","","0.0624","0.0589","","","0.1674","0.1805","","","","","","1.11","","","","has coordinates","154620","2020-10-21","18:00:00",""
"4343524","19.094","0.0014","29.615","0.002","13.6657","0.001","90","","90","","90","","7727.5","1","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H29 B Cl2 F7 Ir N6 -","- C43 H29 B Cl2 F7 Ir N6 -","- C344 H232 B8 Cl16 F56 Ir8 N48 -","8","2","","Castor, Katherine J.; Metera, Kimberly L.; Tefashe, Ushula M.; Serpell, Christopher J.; Mauzeroll, Janine; Sleiman, Hanadi F.","Cyclometalated Iridium(III) Imidazole Phenanthroline Complexes as Luminescent and Electrochemiluminescent G-Quadruplex DNA Binders.","Inorganic chemistry","2015","54","14","6958","6967","10.1021/acs.inorgchem.5b00921","","","0.71073","MoKα","","0.0252","0.0219","","0.0535","0.0507","0.0535","","","","","","0.8782","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343525","13.16","0.002","18.199","0.003","21.573","0.003","67.005","0.002","76.589","0.002","74.541","0.002","4536.3","1.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H41 Cl F6 Ir N6 O7 P -","- C47 H41 Cl F6 Ir N6 O7 P -","- C188 H164 Cl4 F24 Ir4 N24 O28 P4 -","4","2","","Castor, Katherine J.; Metera, Kimberly L.; Tefashe, Ushula M.; Serpell, Christopher J.; Mauzeroll, Janine; Sleiman, Hanadi F.","Cyclometalated Iridium(III) Imidazole Phenanthroline Complexes as Luminescent and Electrochemiluminescent G-Quadruplex DNA Binders.","Inorganic chemistry","2015","54","14","6958","6967","10.1021/acs.inorgchem.5b00921","","","0.71073","MoKα","","0.1385","0.0603","","0.2323","0.1409","0.2323","","","","","","1.0005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343526","13.503","0.003","17.504","0.004","20.41","0.005","90","","92.385","0.005","90","","4819.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H80 O4 Si8 Yb -","- C32 H80 O4 Si8 Yb -","- C128 H320 O16 Si32 Yb4 -","4","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.122","0.0882","","","0.189","0.2057","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343527","49.969","0.009","49.969","0.009","11.895","0.003","90","","90","","120","","25722","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H80 Eu O4 Si8 -","- C32 H80 Eu O4 Si8 -","- C576 H1440 Eu18 O72 Si144 -","18","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0942","0.0678","","","0.1571","0.1701","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343528","12.236","0.002","21.938","0.004","19.872","0.004","90","","94.41","0.03","90","","5318.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H88 O5 Si8 Sm -","- C36 H88 O5 Si8 Sm -","- C144 H352 O20 Si32 Sm4 -","4","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0446","0.0379","","","0.0806","0.0831","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343529","16.079","0.003","16.362","0.003","19.295","0.004","90","","90","","90","","5076.2","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H78 O3 Si8 Yb -","- C30 H78 O3 Si8 Yb -","- C120 H312 O12 Si32 Yb4 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.025","0.0221","","","0.0552","0.0566","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343530","18.784","0.006","15.153","0.005","17.125","0.006","90","","90","","90","","4874","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H78 Eu O3 Si8 -","- C30 H78 Eu O3 Si8 -","- C120 H312 Eu4 O12 Si32 -","4","1","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0332","0.0322","","","0.08","0.0807","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343531","16.151","0.003","16.497","0.003","19.4","0.004","90","","90","","90","","5169","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H78 O3 Si8 Sm -","- C30 H78 O3 Si8 Sm -","- C120 H312 O12 Si32 Sm4 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Gatterer, Karl; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Neutral ""Cp-Free"" Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","14","7065","7072","10.1021/acs.inorgchem.5b01072","","","0.71073","MoKα","","0.0537","0.0352","","","0.0768","0.0822","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343532","6.2509","0.0006","12.5514","0.0011","13.6903","0.0012","90","","91.851","0.003","90","","1073.55","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O5 W -","- C10 H8 N2 O5 W -","- C40 H32 N8 O20 W4 -","4","1","","Amarante, Tatiana R.; Antunes, Margarida M.; Valente, Anabela A.; Paz, Filipe A Almeida; Pillinger, Martyn; Gonçalves, Isabel S","Crystal Structure and Catalytic Behavior in Olefin Epoxidation of a One-Dimensional Tungsten Oxide/Bipyridine Hybrid.","Inorganic chemistry","2015","54","20","9690","9703","10.1021/acs.inorgchem.5b00928","","","0.71073","MoKα","","0.046","0.0316","","","0.0585","0.0623","","","","","","1.079","","","","has coordinates","170795","2020-10-21","18:00:00",""
"4343533","9.506","0.0003","17.3013","0.0007","19.4327","0.0007","90","","90","","90","","3196","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl3 O3 P Re -","- C32 H35 Cl3 O3 P Re -","- C128 H140 Cl12 O12 P4 Re4 -","4","1","","Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.","Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].","Inorganic chemistry","2015","54","14","6727","6735","10.1021/acs.inorgchem.5b00407","","x-ray","0.71073","MoKα","","0.049","0.0362","","","0.0738","0.0803","","","","","","1.038","","","","has coordinates,has disorder","152832","2020-10-21","18:00:00",""
"4343534","9.506","0.0003","17.3013","0.0007","19.4327","0.0007","90","","90","","90","","3196","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl3 O3 P Re -","- C32 H35 Cl3 O3 P Re -","- C128 H140 Cl12 O12 P4 Re4 -","4","1","","Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.","Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].","Inorganic chemistry","2015","54","14","6727","6735","10.1021/acs.inorgchem.5b00407","","x-ray","0.71073","MoKα","","0.0467","0.0366","","","0.0727","0.081","","","","","","1.025","","","","has coordinates,has disorder","152832","2020-10-21","18:00:00",""
"4343535","15.665","0.005","15.876","0.005","19.073","0.006","90.641","0.007","91.942","0.006","100.661","0.006","4658","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H60 Co F15 O19 P4 S5 U -","- C82 H60 Co F15 O19 P4 S5 U -","- C164 H120 Co2 F30 O38 P8 S10 U2 -","2","1","","Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.","Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant.","Inorganic chemistry","2015","54","14","7038","7044","10.1021/acs.inorgchem.5b01077","","","0.71073","MoKα","","0.2767","0.1029","","","0.2215","0.297","","","","","","0.929","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343536","17.81","0.003","18.573","0.003","25.953","0.004","90","","94.423","0.004","90","","8559","2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H65 Cl6 F9 O15 P4 S3 Si U -","- C78 H65 Cl6 F9 O15 P4 S3 Si U -","- C312 H260 Cl24 F36 O60 P16 S12 Si4 U4 -","4","1","","Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.","Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant.","Inorganic chemistry","2015","54","14","7038","7044","10.1021/acs.inorgchem.5b01077","","","0.71073","MoKα","","0.1273","0.0729","","","0.1806","0.2139","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343537","16.464","0.002","20.58","0.003","17.835","0.002","90","","90.708","0.003","90","","6042.6","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 Co F15 O17 P2 S5 U -","- C51 H40 Co F15 O17 P2 S5 U -","- C204 H160 Co4 F60 O68 P8 S20 U4 -","4","1","","Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.","Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant.","Inorganic chemistry","2015","54","14","7038","7044","10.1021/acs.inorgchem.5b01077","","","0.71073","MoKα","","0.0847","0.0456","","","0.0978","0.1125","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343538","44.739","0.004","7.8988","0.0008","13.8864","0.0014","90","","102.504","0.004","90","","4790.8","0.8","168","2","168","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Fe N6 O6 -","- C38 H66 B2 Cl6 Fe N6 O6 -","- C152 H264 B8 Cl24 Fe4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.0956","0.0467","","","0.073","0.082","","","","","","0.951","","","","has coordinates","139998","2020-10-21","18:00:00",""
"4343539","44.7655","0.0019","7.9046","0.0004","13.8872","0.0006","90","","102.43","0.003","90","","4798.8","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Fe N6 O6 -","- C38 H66 B2 Cl6 Fe N6 O6 -","- C152 H264 B8 Cl24 Fe4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.0921","0.0467","","","0.0656","0.0722","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343540","44.755","0.002","7.9093","0.0004","13.9055","0.0007","90","","102.436","0.003","90","","4806.8","0.4","178","2","178","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Fe N6 O6 -","- C38 H66 B2 Cl6 Fe N6 O6 -","- C152 H264 B8 Cl24 Fe4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.0936","0.0448","","","0.0643","0.0717","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343541","44.763","0.008","7.9062","0.0014","13.905","0.003","90","","102.387","0.004","90","","4806.5","1.6","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Fe N6 O6 -","- C38 H66 B2 Cl6 Fe N6 O6 -","- C152 H264 B8 Cl24 Fe4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.088","0.0421","","","0.0662","0.0746","","","","","","0.873","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343542","44.925","0.004","7.9417","0.0006","13.9468","0.0011","90","","102.069","0.006","90","","4866","0.7","240","2","240","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Fe N6 O6 -","- C38 H66 B2 Cl6 Fe N6 O6 -","- C152 H264 B8 Cl24 Fe4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.112","0.0437","","","0.0685","0.0816","","","","","","0.827","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343543","43.99","0.02","7.938","0.004","13.853","0.008","90","","101.225","0.011","90","","4745","4","40","2","40","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1434","0.0766","","","0.1588","0.1759","","","","","","1.024","","","","has coordinates","139998","2020-10-21","18:00:00",""
"4343544","45.071","0.006","7.9023","0.0013","13.9272","0.0016","90","","102.261","0.016","90","","4847.2","1.2","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1229","0.0465","","","0.0682","0.0807","","","","","","0.839","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343545","45.092","0.008","7.921","0.0013","13.924","0.002","90","","102.02","0.02","90","","4864.2","1.4","240","2","240","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1133","0.0467","","","0.08","0.0906","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343546","45.15","0.009","7.929","0.002","13.96","0.003","90","","101.97","0.03","90","","4889","2","260","2","260","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1153","0.0403","","","0.0656","0.0772","","","","","","0.874","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343547","45.321","0.003","7.966","0.001","14.003","0.001","90","","101.675","0.005","90","","4950.9","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.133","0.044","","","0.0725","0.0856","","","","","","0.894","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343548","44.373","0.003","7.9331","0.0005","13.9724","0.0009","90","","100.627","0.007","90","","4834.1","0.6","225","2","225","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1084","0.0654","","","0.1537","0.1692","","","","","","1.003","","","","has coordinates","139998","2020-10-21","18:00:00",""
"4343549","45.1402","0.0015","7.9183","0.0003","13.9377","0.0005","90","","102.137","0.002","90","","4870.4","0.3","235","2","235","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.0969","0.0544","","","0.0866","0.096","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343550","45.225","0.003","7.9329","0.0005","13.9555","0.0009","90","","101.983","0.004","90","","4897.6","0.6","251","2","251","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1281","0.0574","","","0.1083","0.1522","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343551","45.27","0.006","7.9381","0.0011","13.9642","0.0019","90","","101.918","0.009","90","","4910","1.2","261","2","261","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1323","0.0565","","","0.0821","0.1005","","","","","","0.838","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343552","45.282","0.004","7.9411","0.0008","13.9696","0.0013","90","","101.799","0.007","90","","4917.2","0.8","270","2","270","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1113","0.0542","","","0.0865","0.0988","","","","","","0.939","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343553","45.426","0.018","7.976","0.003","14.017","0.006","90","","101.775","0.009","90","","4972","3","283","2","283","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H66 B2 Cl6 Co N6 O6 -","- C38 H66 B2 Cl6 Co N6 O6 -","- C152 H264 B8 Cl24 Co4 N24 O24 -","4","0.5","","Vologzhanina, Anna V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Romanenko, Galina V.; Ovcharenko, Victor I.; Korlyukov, Alexander A.; Buzin, Mikhail I.; Voloshin, Yan Z.","Synthesis and Temperature-Induced Structural Phase and Spin Transitions in Hexadecylboron-Capped Cobalt(II) Hexachloroclathrochelate and Its Diamagnetic Iron(II)-Encapsulating Analogue.","Inorganic chemistry","2015","54","12","5827","5838","10.1021/acs.inorgchem.5b00546","","","0.71073","MoKα","","0.1461","0.0477","","","0.0783","0.0986","","","","","","0.857","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343557","20.7036","0.0012","9.1004","0.0005","20.8146","0.0013","90","","115.424","0.003","90","","3541.9","0.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 Br2 Fe2 N4 P4 -","- C70 H110 Br2 Fe2 N4 P4 -","- C140 H220 Br4 Fe4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki","N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.","Inorganic chemistry","2015","54","19","9271","9281","10.1021/acs.inorgchem.5b00536","","","0.71075","MoKα","","","0.0362","","","","0.1007","","","","","","1.091","","","","has coordinates","170065","2020-10-21","18:00:00",""
"4343558","11.554","0.003","12.902","0.004","27.798","0.008","86.399","0.014","78.867","0.012","67.779","0.008","3763.7","1.9","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C74.75 H121 Fe2 N6 P4 -","- C74.7504 H117.5 Fe2 N6 P4 -","- C149.501 H235 Fe4 N12 P8 -","2","1","","Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki","N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.","Inorganic chemistry","2015","54","19","9271","9281","10.1021/acs.inorgchem.5b00536","","","0.71075","MoKα","","","0.0752","","","","0.2073","","","","","","1.08","","","","has coordinates","170065","2020-10-21","18:00:00",""
"4343559","11.4502","0.0012","17.5263","0.0017","19.427","0.002","64.925","0.003","82.924","0.005","75.43","0.004","3417","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H56 N2 P2 -","- C35 H56 N2 P2 -","- C140 H224 N8 P8 -","4","2","","Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki","N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.","Inorganic chemistry","2015","54","19","9271","9281","10.1021/acs.inorgchem.5b00536","","","0.71075","MoKα","","","0.0522","","","","0.1528","","","","","","1.034","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4343560","10.8261","0.0008","29.0462","0.0018","12.3251","0.0012","90","","113.335","0.004","90","","3558.7","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Li2 N4 P4 -","- C70 H110 Li2 N4 P4 -","- C140 H220 Li4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki","N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.","Inorganic chemistry","2015","54","19","9271","9281","10.1021/acs.inorgchem.5b00536","","","0.71075","MoKα","","","0.0538","","","","0.151","","","","","","1.074","","","","has coordinates","170065","2020-10-21","18:00:00",""
"4343561","11.5965","0.0004","17.345","0.0005","22.1096","0.0006","74.6192","0.0007","77.0841","0.0009","71.9256","0.001","4027.6","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 Fe2 N6 O2 P4 -","- C78 H130 Fe2 N6 O2 P4 -","- C156 H260 Fe4 N12 O4 P8 -","2","1","","Suzuki, Tatsuya; Wasada-Tsutsui, Yuko; Ogawa, Takahiko; Inomata, Tomohiko; Ozawa, Tomohiro; Sakai, Yoichi; Fryzuk, Michael D.; Masuda, Hideki","N2 Activation by an Iron Complex with a Strong Electron-Donating Iminophosphorane Ligand.","Inorganic chemistry","2015","54","19","9271","9281","10.1021/acs.inorgchem.5b00536","","","0.71075","MoKα","","","0.0479","","","","0.145","","","","","","1.071","","","","has coordinates","170065","2020-10-21","18:00:00",""
"4343562","18.203","0.005","29.089","0.008","7.637","0.002","90","","103.008","0.006","90","","3940.1","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N2 O6 Zn -","- C14 H9 N2 O6 Zn -","- C112 H72 N16 O48 Zn8 -","8","1","","Ma, De-Yun; Li, Zhi; Xiao, Jun-Xia; Deng, Rong; Lin, Pei-Feng; Chen, Rui-Qun; Liang, Yun-Qiu; Guo, Hai-Fu; Liu, Bei; Liu, Jian-Qiang","Hydrostable and Nitryl/Methyl-Functionalized Metal-Organic Framework for Drug Delivery and Highly Selective CO~2~ Adsorption","Inorganic Chemistry","2015","54","14","6719","6726","10.1021/acs.inorgchem.5b00335","","","0.71073","MoKα","","0.0576","0.0407","","","0.0885","0.0923","","","","","","1.003","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4343563","12.5519","0.0003","18.403","0.0004","14.2774","0.0004","90","","106.503","0.003","90","","3162.11","0.14","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 I2 N6 O7 -","- C26 H40 I2 N6 O7 -","- C104 H160 I8 N24 O28 -","4","1","","Lima, Luís M P; Beyler, Maryline; Delgado, Rita; Platas-Iglesias, Carlos; Tripier, Raphaël","Investigating the Complexation of the Pb(2+)/Bi(3+) Pair with Dipicolinate Cyclen Ligands.","Inorganic chemistry","2015","54","14","7045","7057","10.1021/acs.inorgchem.5b01079","","x-ray","0.71073","MoKα","","0.0562","0.0306","","","0.0557","0.0591","","","","","","0.856","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343564","12.5172","0.0003","17.9162","0.0005","13.4738","0.0003","90","","91.451","0.002","90","","3020.67","0.13","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N6 O10 Pb -","- C24 H44 N6 O10 Pb -","- C96 H176 N24 O40 Pb4 -","4","0.5","","Lima, Luís M P; Beyler, Maryline; Delgado, Rita; Platas-Iglesias, Carlos; Tripier, Raphaël","Investigating the Complexation of the Pb(2+)/Bi(3+) Pair with Dipicolinate Cyclen Ligands.","Inorganic chemistry","2015","54","14","7045","7057","10.1021/acs.inorgchem.5b01079","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0698","0.0705","","","","","","1.145","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343576","10.169","0.0004","11.0255","0.0004","17.282","0.0006","90","","90","","90","","1937.63","0.12","153","2","153","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 F3 N2 O3 S Sb -","- C12 H20 Cl2 F3 N2 O3 S Sb -","- C48 H80 Cl8 F12 N8 O12 S4 Sb4 -","4","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","","0.71073","MoKα","","0.0255","0.0237","","","0.0537","0.0545","","","","","","1.021","","","","has coordinates","152818","2020-10-21","18:00:00",""
"4343577","12.1467","0.0004","19.237","0.0005","14.2131","0.0004","90","","97.84","0.002","90","","3290.08","0.17","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl4 F3 N2 O3 P S -","- C28 H34 Cl4 F3 N2 O3 P S -","- C112 H136 Cl16 F12 N8 O12 P4 S4 -","4","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","","1.54178","CuKα","","0.0746","0.0642","","","0.1834","0.1965","","","","","","1.05","","","","has coordinates,has disorder","152818","2020-10-21","18:00:00",""
"4343578","7.4799","0.0018","8.59","0.002","12.967","0.003","92.509","0.004","98.606","0.004","94.336","0.004","820.1","0.3","153","1","153","1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H21 F3 N2 O3 S Si -","- C11 H21 F3 N2 O3 S Si -","- C22 H42 F6 N4 O6 S2 Si2 -","2","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","","0.71073","MoKα","","0.068","0.0453","","","0.1084","0.12","","","","","","1.007","","","","has coordinates","152818","2020-10-21","18:00:00",""
"4343579","11.7429","0.0005","18.0557","0.0008","16.0631","0.0007","90","","101.283","0.004","90","","3340","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl2 F3 N8 O3 P S -","- C28 H34 Cl2 F3 N8 O3 P S -","- C112 H136 Cl8 F12 N32 O12 P4 S4 -","4","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","x-ray","0.71073","MoKα","","0.1294","0.1178","","","0.2994","0.3122","","","","","","1.119","","","","has coordinates","152818","2020-10-21","18:00:00",""
"4343580","14.6089","0.0007","7.4064","0.0004","23.5639","0.0011","90","","101.021","0.001","90","","2502.6","0.2","153","1","153","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl F6 N4 O6 P S2 -","- C16 H24 Cl F6 N4 O6 P S2 -","- C64 H96 Cl4 F24 N16 O24 P4 S8 -","4","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","","0.71073","MoKα","","0.0604","0.0434","","","0.1057","0.1155","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343581","10.3456","0.001","12.9981","0.0013","13.1468","0.0013","115.759","0.007","99.854","0.008","100.236","0.008","1504.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cl3 N O6 S2 Ti -","- C28 H28 Cl3 N O6 S2 Ti -","- C56 H56 Cl6 N2 O12 S4 Ti2 -","2","1","","Grützke, Martin; Zhao, Tiankun; Immel, Timo A.; Huhn, Thomas","Heptacoordinate Heteroleptic Salan (ONNO) and Thiosalan (OSSO) Titanium(IV) Complexes: Investigation of Stability and Cytotoxicity.","Inorganic chemistry","2015","54","14","6697","6706","10.1021/acs.inorgchem.5b00690","","","0.71073","MoKα","","0.0595","0.0459","","","0.1162","0.1219","","","","","","1.055","","","","has coordinates","154619","2020-10-21","18:00:00",""
"4343582","14.3762","0.0006","19.9894","0.0009","27.3975","0.0017","90","","90","","90","","7873.3","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H57 N3 O6 Ti -","- C41 H57 N3 O6 Ti -","- C328 H456 N24 O48 Ti8 -","8","1","","Grützke, Martin; Zhao, Tiankun; Immel, Timo A.; Huhn, Thomas","Heptacoordinate Heteroleptic Salan (ONNO) and Thiosalan (OSSO) Titanium(IV) Complexes: Investigation of Stability and Cytotoxicity.","Inorganic chemistry","2015","54","14","6697","6706","10.1021/acs.inorgchem.5b00690","","","0.71073","MoKα","","0.1121","0.0615","","","0.1224","0.1388","","","","","","0.979","","","","has coordinates","154619","2020-10-21","18:00:00",""
"4343583","10.089","0.005","11.52","0.004","15.144","0.005","93.389","0.013","108.212","0.005","115.89","0.03","1464.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 F6 N3 O6 Ti -","- C30 H23 F6 N3 O6 Ti -","- C60 H46 F12 N6 O12 Ti2 -","2","1","","Grützke, Martin; Zhao, Tiankun; Immel, Timo A.; Huhn, Thomas","Heptacoordinate Heteroleptic Salan (ONNO) and Thiosalan (OSSO) Titanium(IV) Complexes: Investigation of Stability and Cytotoxicity.","Inorganic chemistry","2015","54","14","6697","6706","10.1021/acs.inorgchem.5b00690","","","0.71069","MoKα","","0.0746","0.0626","","","0.1867","0.1928","","","","","","1.565","","","","has coordinates,has disorder","154619","2020-10-21","18:00:00",""
"4343605","18.066","0.005","20.762","0.005","15.24","0.004","90","","90","","90","","5716","3","100","2","100","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C32 H26 Cd N12 O8 -","- C32 H26 Cd N12 O8 -","- C128 H104 Cd4 N48 O32 -","4","0.5","","Seth, Saona; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Carbon Dioxide Capture by a Metal-Organic Framework with Nitrogen-Rich Channels Based on Rationally Designed Triazole-Functionalized Tetraacid Organic Linker.","Inorganic chemistry","2015","54","14","6829","6835","10.1021/acs.inorgchem.5b00722","","","0.71073","MoKα","","0.0906","0.057","","","0.1222","0.1378","","","","","","0.897","","","","has coordinates","152829","2020-10-21","18:00:00",""
"4343606","7.7275","0.0011","8.7217","0.0012","8.9532","0.0012","69.2","0.003","74.194","0.003","75.677","0.003","535.09","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C28 H20 N4 O2 -","2","1","","Sommer, Samantha K.; Henle, Ernst A.; Zakharov, Lev N.; Pluth, Michael D.","Selection for a Single Self-Assembled Macrocycle from a Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Ligand Subunit.","Inorganic chemistry","2015","54","14","6910","6916","10.1021/acs.inorgchem.5b00857","","","0.71073","MoKα","","0.0517","0.0427","","","0.1129","0.1195","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343607","16.7748","0.0019","9.3516","0.0011","16.7511","0.0018","90","","90","","90","","2627.8","0.5","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H34 Si4 -","- C24 H34 Si4 -","- C96 H136 Si16 -","4","1","","Kysliak, Oleksandr; Schrenk, Claudio; Schnepf, Andreas","{Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium Cluster Chemistry.","Inorganic chemistry","2015","54","14","7083","7088","10.1021/acs.inorgchem.5b01130","","","0.71073","MoKα","","0.0905","0.0504","","","0.0912","0.1061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343608","19.1052","0.0019","20.27","0.002","20.835","0.002","112.591","0.002","108.382","0.002","103.66","0.002","6454.9","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H350 Ge18 Hg O19 Si24 -","- C220 H350 Ge18 Hg O19 Si24 -","- C220 H350 Ge18 Hg O19 Si24 -","1","0.5","","Kysliak, Oleksandr; Schrenk, Claudio; Schnepf, Andreas","{Ge9[Si(SiMe3)2(SiPh3)]3}(-): Ligand Modification in Metalloid Germanium Cluster Chemistry.","Inorganic chemistry","2015","54","14","7083","7088","10.1021/acs.inorgchem.5b01130","","","0.71073","MoKα","","0.0965","0.0493","","","0.117","0.1394","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343610","31.23","0.003","12.2049","0.0013","19.717","0.002","90","","122.238","0.0012","90","","6356.7","1.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 F6 Ir N4 -","- C39 H27 F6 Ir N4 -","- C312 H216 F48 Ir8 N32 -","8","1","","Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S.","Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands.","Inorganic chemistry","2015","54","14","7122","7131","10.1021/acs.inorgchem.5b01401","","","0.71073","MoKα","","0.0198","0.0171","","","0.0416","0.0423","","","","","","1.024","","","","has coordinates","154608","2020-10-21","18:00:00",""
"4343611","10.935","0.003","11.113","0.003","17.087","0.004","83.328","0.003","80.841","0.003","65.852","0.003","1867.6","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Ir N4 S2 -","- C46 H40 Ir N4 S2 -","- C92 H80 Ir2 N8 S4 -","2","1","","Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S.","Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands.","Inorganic chemistry","2015","54","14","7122","7131","10.1021/acs.inorgchem.5b01401","","","0.71073","MoKα","","0.0222","0.021","","","0.0526","0.0536","","","","","","1.026","","","","has coordinates,has disorder","154608","2020-10-21","18:00:00",""
"4343612","16.925","0.004","9.708","0.002","18.743","0.004","90","","94.194","0.003","90","","3071.4","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Ir N3 O S2 -","- C37 H28 Ir N3 O S2 -","- C148 H112 Ir4 N12 O4 S8 -","4","1","","Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S.","Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands.","Inorganic chemistry","2015","54","14","7122","7131","10.1021/acs.inorgchem.5b01401","","","0.71073","MoKα","","0.0184","0.0166","","","0.0372","0.0397","","","","","","1.089","","","","has coordinates","154608","2020-10-21","18:00:00",""
"4343613","15.178","0.002","15.178","0.002","13.65","0.002","90","","90","","120","","2723.3","0.6","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C43 H27 F6 Ir N4 S2 -","- C43 H27 F6 Ir N4 S2 -","- C129 H81 F18 Ir3 N12 S6 -","3","1","","Radwan, Yousf K.; Maity, Ayan; Teets, Thomas S.","Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands.","Inorganic chemistry","2015","54","14","7122","7131","10.1021/acs.inorgchem.5b01401","","","0.71073","MoKα","","0.0119","0.0119","","","0.0271","0.0271","","","","","","1.018","","","","has coordinates","154608","2020-10-21","18:00:00",""
"4343614","12.149","0.002","13.216","0.002","14.011","0.002","61.995","0.008","72.171","0.011","75.034","0.01","1873.2","0.5","108.1","","108.1","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F6 Mn2 N4 O7 P -","- C36 H35 F6 Mn2 N4 O7 P -","- C72 H70 F12 Mn4 N8 O14 P2 -","2","1","","Aono, Yoshitaka; Yoshida, Hiroki; Katoh, Keiichi; Breedlove, Brian K.; Kagesawa, Koichi; Yamashita, Masahiro","Tuning Interchain Interactions in Two-Dimensional Networks of Mn(III) Schiff-Base Complexes and Dicarboxylic Acids by Varying the Linker.","Inorganic chemistry","2015","","","150707110127002","","10.1021/acs.inorgchem.5b01154","","","0.71075","MoKα","","","0.0433","","","","0.118","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343615","12.012","0.002","13.716","0.003","14.273","0.002","63.277","0.01","73.805","0.012","72.054","0.011","1970.8","0.6","108.1","","108.1","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 F6 Mn2 N4 O8 P -","- C37 H36 F6 Mn2 N4 O8 P -","- C74 H72 F12 Mn4 N8 O16 P2 -","2","1","","Aono, Yoshitaka; Yoshida, Hiroki; Katoh, Keiichi; Breedlove, Brian K.; Kagesawa, Koichi; Yamashita, Masahiro","Tuning Interchain Interactions in Two-Dimensional Networks of Mn(III) Schiff-Base Complexes and Dicarboxylic Acids by Varying the Linker.","Inorganic chemistry","2015","","","150707110127002","","10.1021/acs.inorgchem.5b01154","","","0.71075","MoKα","","","0.0486","","","","0.1404","","","","","","1.064","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343616","8.1963","0.0003","10.3998","0.0004","11.8265","0.0005","68.432","0.001","88.348","0.001","70.525","0.001","878.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2","","","- C38 H32 Au F6 N8 P -","- C38 H32 Au F6 N8 P -","- C38 H32 Au F6 N8 P -","1","0.5","","Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.","Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.","Inorganic chemistry","2015","54","14","6900","6909","10.1021/acs.inorgchem.5b00821","","","0.71073","MoKα","","0.026","0.0257","","","0.0546","0.0549","","","","","","1.023","","","","has coordinates","152816","2020-10-21","18:00:00",""
"4343617","9.237","0.0008","25.546","0.002","12.8114","0.0011","90","","96.4654","0.0015","90","","3003.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3dot2CH3CN","","","- C50 H50 Au Cu2 F18 N14 P3 -","- C50 H50 Au Cu2 F18 N14 P3 -","- C100 H100 Au2 Cu4 F36 N28 P6 -","2","0.5","","Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.","Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.","Inorganic chemistry","2015","54","14","6900","6909","10.1021/acs.inorgchem.5b00821","","","0.71073","MoKα","","0.0387","0.0271","","","0.0568","0.0607","","","","","","1.008","","","","has coordinates","152816","2020-10-21","18:00:00",""
"4343618","17.5182","0.0009","18.7146","0.0009","19.0445","0.0009","73.9785","0.0008","63.6056","0.0008","79.8442","0.0009","5365.1","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","5","","","- C83 H64 Au2 Cu4 F36 N23 O14 P6 -","- C83 H64 Au2 Cu4 F36 N23 O14 P6 -","- C166 H128 Au4 Cu8 F72 N46 O28 P12 -","2","1","","Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.","Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.","Inorganic chemistry","2015","54","14","6900","6909","10.1021/acs.inorgchem.5b00821","","","0.71073","MoKα","","0.0579","0.0355","","","0.0837","0.0899","","","","","","1.012","","","","has coordinates,has disorder","152816","2020-10-21","18:00:00",""
"4343619","8.1559","0.0006","12.6903","0.0009","13.6732","0.0009","81.8321","0.0014","84.8442","0.0013","76.6665","0.0013","1360.67","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","6","","","- C46 H48 Au Cu2 F18 N12 O4 P3 -","- C46 H48 Au Cu2 F18 N12 O4 P3 -","- C46 H48 Au Cu2 F18 N12 O4 P3 -","1","0.5","","Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.","Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.","Inorganic chemistry","2015","54","14","6900","6909","10.1021/acs.inorgchem.5b00821","","","0.71073","MoKα","","0.0707","0.046","","","0.08","0.0872","","","","","","1.01","","","","has coordinates,has disorder","152816","2020-10-21","18:00:00",""
"4343620","7.8783","0.0016","6.1369","0.0012","9.1836","0.0018","90","","113.07","0.03","90","","408.5","0.17","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba2 H O9 V3 -","- Ba2 H O9 V3 -","- Ba4 H2 O18 V6 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0234","0.0231","","","0.0618","0.0621","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343621","7.6249","0.0015","6.0903","0.0012","8.8153","0.0018","90","","112.15","0.03","90","","379.15","0.15","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H O9 Sr2 V3 -","- H O9 Sr2 V3 -","- H2 O18 Sr4 V6 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0281","0.0271","","","0.0704","0.0752","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343622","7.8709","0.0016","6.1841","0.0012","9.0589","0.0018","90","","112.33","0.03","90","","407.87","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba2 H Mn O9 V2 -","- Ba2 H Mn O9 V2 -","- Ba4 H2 Mn2 O18 V4 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.0188","0.0175","","","0.0406","0.0413","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343623","7.875","0.0016","6.1425","0.0012","9.2052","0.0018","90","","113.19","0.03","90","","409.3","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Fe H O9 V2 -","- Ba2 Fe H O9 V2 -","- Ba4 Fe2 H2 O18 V4 -","2","0.5","","Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.","Inorganic chemistry","2015","54","14","7014","7020","10.1021/acs.inorgchem.5b01037","","","0.71073","MoKα","","0.018","0.0177","","","0.0427","0.0429","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343624","7.6977","0.0006","16.6382","0.0012","26.955","0.002","78.618","0.003","89.931","0.002","76.638","0.003","3289.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H8 Cu N4 S16 -","- C28 H8 Cu N4 S16 -","- C112 H32 Cu4 N16 S64 -","4","2","","Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior.","Inorganic chemistry","2015","54","14","7000","7006","10.1021/acs.inorgchem.5b01013","","","0.2952","synchrotron","","0.0513","0.0469","","","0.1129","0.1143","","","","","","1.3","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343625","17.1678","0.0009","3.8756","0.0002","26.0522","0.0011","90","","100.208","0.002","90","","1705.96","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 Au N4 S16 -","- C28 H8 Au N4 S16 -","- C56 H16 Au2 N8 S32 -","2","0.5","","Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior.","Inorganic chemistry","2015","54","14","7000","7006","10.1021/acs.inorgchem.5b01013","","","0.71073","MoKα","","0.0494","0.0312","","","0.0618","0.0651","","","","","","0.965","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343626","3.7551","0.0005","15.204","0.004","15.711","0.003","106.831","0.007","92.574","0.004","96.508","0.006","850.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H8 Co N4 S16 -","- C28 H8 Co N4 S16 -","- C28 H8 Co N4 S16 -","1","0.5","","Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior.","Inorganic chemistry","2015","54","14","7000","7006","10.1021/acs.inorgchem.5b01013","","","0.2952","synchrotron","","0.0851","0.0829","","","0.1921","0.1929","","","","","","1.127","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343627","11.8958","0.0008","10.9639","0.0007","13.3269","0.0008","90","","91.442","0.002","90","","1737.6","0.19","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Li3.18 Mn1.82 O22 U6 -","- Li3.178 Mn1.822 O22 U6 -","- Li12.712 Mn7.288 O88 U24 -","4","1","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0573","0.0473","","","0.09","0.0936","","","","","","1.058","","","","has coordinates","152824","2020-10-21","18:00:00",""
"4343628","6.8407","0.0002","6.8407","0.0002","37.552","0.0017","90","","90","","120","","1521.83","0.09","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Mn O11 Rb2 U3 -","- Mn O11 Rb2 U3 -","- Mn6 O66 Rb12 U18 -","6","0.166667","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0252","0.0227","","","0.0481","0.0488","","","","","","1.181","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343629","6.828","0.0002","6.828","0.0002","36.8354","0.0017","90","","90","","120","","1487.25","0.09","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- K2 Mn O11 U3 -","- K2 Mn O11 U3 -","- K12 Mn6 O66 U18 -","6","0.166667","","Read, Cory Michael; Morrison, Gregory; Yeon, Jeongho; Smith, Mark D.; Zur Loye, Hans-Conrad","A2MnU3O11 (A = K, Rb) and Li3.2Mn1.8U6O22: Three New Alkali-Metal Manganese Uranium(VI) Oxides Related to Natrotantite.","Inorganic chemistry","2015","54","14","6993","6999","10.1021/acs.inorgchem.5b01004","","","0.71073","MoKα","","0.0195","0.0188","","","0.0444","0.0447","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343698","10.2801","0.0003","15.3096","0.0004","14.2761","0.0004","90","","101.907","0.002","90","","2198.49","0.11","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N6 O2 S4 Zn2 -","- C46 H42 N6 O2 S4 Zn2 -","- C92 H84 N12 O4 S8 Zn4 -","2","0.5","","Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt","Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.","Inorganic chemistry","2015","54","15","7653","7659","10.1021/acs.inorgchem.5b01334","","","1.54178","CuKα","","0.0432","0.0384","","","0.1065","0.1098","","","","","","0.919","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343699","9.8549","0.0004","10.5969","0.0004","20.2206","0.0008","90","","94.607","0.001","90","","2104.84","0.14","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cl6 N4 Pd2 S4 -","- C42 H30 Cl6 N4 Pd2 S4 -","- C84 H60 Cl12 N8 Pd4 S8 -","2","0.5","","Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt","Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.","Inorganic chemistry","2015","54","15","7653","7659","10.1021/acs.inorgchem.5b01334","","","0.71073","MoKα","","0.0537","0.046","","","0.1253","0.1301","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343700","16.7646","0.0004","13.2122","0.0003","33.6825","0.0007","90","","90","","90","","7460.6","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H35 Co2 N5 O S4 -","- C43 H35 Co2 N5 O S4 -","- C344 H280 Co16 N40 O8 S32 -","8","1","","Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt","Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.","Inorganic chemistry","2015","54","15","7653","7659","10.1021/acs.inorgchem.5b01334","","","0.71073","MoKα","","0.1191","0.0547","","","0.107","0.128","","","","","","1.008","","","","has coordinates","152806","2020-10-21","18:00:00",""
"4343701","9.5835","0.0005","11.9723","0.0006","18.4742","0.0009","90","","102.351","0.001","90","","2070.61","0.18","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N6 Ni2 O2 S4 -","- C46 H42 N6 Ni2 O2 S4 -","- C92 H84 N12 Ni4 O4 S8 -","2","0.5","","Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt","Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.","Inorganic chemistry","2015","54","15","7653","7659","10.1021/acs.inorgchem.5b01334","","","0.71073","MoKα","","0.0561","0.0378","","","0.0871","0.0957","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343889","9.5489","0.0001","8.009","0.0001","20.2425","0.0003","90","","99.979","0.002","90","","1524.67","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Br3 N2 Pb -","- C9 H17 Br3 N2 Pb -","- C36 H68 Br12 N8 Pb4 -","4","1","","Chen, Tianliang; Zhou, Yuelan; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Tang, Yuanyuan; Ji, Chengmin; Luo, Junhua","ABX3-Type Organic-Inorganic Hybrid Phase Transition Material: 1-Pentyl-3-methylimidazolium Tribromoplumbate.","Inorganic chemistry","2015","54","15","7136","7138","10.1021/acs.inorgchem.5b00891","","","1.54184","CuKα","","0.0341","0.0321","","","0.0817","0.0834","","","","","","1.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343890","9.4417","0.0001","7.9441","0.0001","20.7694","0.0003","90","","97.083","0.001","90","","1545.94","0.03","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Br3 N2 Pb -","- C9 H17 Br3 N2 Pb -","- C36 H68 Br12 N8 Pb4 -","4","1","","Chen, Tianliang; Zhou, Yuelan; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Tang, Yuanyuan; Ji, Chengmin; Luo, Junhua","ABX3-Type Organic-Inorganic Hybrid Phase Transition Material: 1-Pentyl-3-methylimidazolium Tribromoplumbate.","Inorganic chemistry","2015","54","15","7136","7138","10.1021/acs.inorgchem.5b00891","","","1.54184","CuKα","","0.0375","0.0345","","","0.0904","0.0934","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343891","16.99","0.003","24.487","0.005","9.888","0.002","90","","90","","90","","4113.7","1.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C47 H40 Cl2 F6 N P2 Rh -","- C47 H40 Cl2 F6 N P2 Rh -","- C188 H160 Cl8 F24 N4 P8 Rh4 -","4","0.5","","Halbach, Robert L.; Teets, Thomas S.; Nocera, Daniel G.","Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.","Inorganic chemistry","2015","54","15","7335","7344","10.1021/acs.inorgchem.5b00856","","","0.71073","MoKα","","0.0649","0.0353","","","0.0727","0.0836","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343892","16.5395","0.0007","19.8373","0.0008","32.8349","0.0013","90","","90","","90","","10773.1","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H62 Cl6 N P2 Rh -","- C55 H62 Cl6 N P2 Rh -","- C440 H496 Cl48 N8 P16 Rh8 -","8","1","","Halbach, Robert L.; Teets, Thomas S.; Nocera, Daniel G.","Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.","Inorganic chemistry","2015","54","15","7335","7344","10.1021/acs.inorgchem.5b00856","","","0.71073","MoKα","","0.0488","0.0391","","","0.1055","0.113","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343893","19.7872","0.0014","18.0304","0.0013","7.0829","0.0005","90","","90","","90","","2527","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C56 H44 N10 O8 Zn2 -","- C56 H44 N10 O8 Zn2 -","- C112 H88 N20 O16 Zn4 -","2","0.25","","Wen, Lili; Zheng, Xiaofang; Lv, Kangle; Wang, Chenggang; Xu, Xiaoyue","Two Amino-Decorated Metal-Organic Frameworks for Highly Selective and Quantitatively Sensing of Hg(II) and Cr(VI) in Aqueous Solution.","Inorganic chemistry","2015","54","15","7133","7135","10.1021/acs.inorgchem.5b00098","","","0.71073","MoKα","","0.0655","0.0497","","","0.1391","0.1466","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343894","23.614","0.003","13.7299","0.0015","20.772","0.002","90","","90","","90","","6734.7","1.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H16 Cd N7 O4 -","- C23 H16 Cd N7 O4 -","- C184 H128 Cd8 N56 O32 -","8","1","","Wen, Lili; Zheng, Xiaofang; Lv, Kangle; Wang, Chenggang; Xu, Xiaoyue","Two Amino-Decorated Metal-Organic Frameworks for Highly Selective and Quantitatively Sensing of Hg(II) and Cr(VI) in Aqueous Solution.","Inorganic chemistry","2015","54","15","7133","7135","10.1021/acs.inorgchem.5b00098","","","0.71073","MoKα","","0.081","0.061","","","0.1851","0.1925","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343895","11.1248","0.0007","20.1661","0.0013","17.3731","0.0011","90","","92.293","0.001","90","","3894.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12249","","","- C39 H60 Cr N4 P3 -","- C39 H60 Cr N4 P3 -","- C156 H240 Cr4 N16 P12 -","4","1","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0655","0.0418","","","0.0993","0.1121","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343896","16.067","0.003","16.067","0.003","11.673","0.002","90","","90","","120","","2609.7","0.8","173","2","173","2","","","","","","","","5","P 3 2 1","P 3 2""","150","12189","","","- C39 H60 Cr2 N4 P3 -","- C39 H60 Cr2 N4 P3 -","- C78 H120 Cr4 N8 P6 -","2","0.333333","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0699","0.0466","","","0.0903","0.0972","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343897","12.9903","0.0019","27.035","0.004","14.055","0.002","90","","93.906","0.002","90","","4924.5","1.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","13091","","","- C43 H68 Cr2 K N4 O P3 -","- C43 H68 Cr2 K N4 O P3 -","- C172 H272 Cr8 K4 N16 O4 P12 -","4","1","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0528","0.0422","","","0.0873","0.093","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343898","11.3119","0.0007","11.3119","0.0007","28.5164","0.0018","90","","90","","120","","3160.1","0.3","173","2","173","2","","","","","","","","8","P -3","-P 3","147","LCrMn2.2.2 CryptK","","","- C57 H96 Cr K Mn N6 O6 P3 -","- C57 H96 Cr K Mn N6 O6 P3 -","- C114 H192 Cr2 K2 Mn2 N12 O12 P6 -","2","0.333333","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.0361","0.0296","","","0.0689","0.0722","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4343899","10.5449","0.0008","18.5182","0.0014","20.4402","0.0016","71.096","0.001","78.672","0.001","87.532","0.001","3701.7","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","13104","","","- C71 H72 B Cr F24 Fe N4 P3 -","- C71 H72 B Cr F24 Fe N4 P3 -","- C142 H144 B2 Cr2 F48 Fe2 N8 P6 -","2","1","","Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.","Inorganic chemistry","2015","54","15","7579","7592","10.1021/acs.inorgchem.5b01163","","","0.71073","MoKα","","0.1541","0.1116","","","0.3043","0.3457","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343950","17.3066","0.0005","11.3516","0.0003","21.8806","0.0012","90","","116.25","0.003","90","","3855.3","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Fe N21 O3 -","- C33 H27 Fe N21 O3 -","- C132 H108 Fe4 N84 O12 -","4","1","","Seredyuk, Maksym; Piñeiro-López, Lucía; Muñoz, M Carmen; Martínez-Casado, Francisco J; Molnár, Gábor; Rodriguez-Velamazán, José Alberto; Bousseksou, Azzedine; Real, José Antonio","Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.","Inorganic chemistry","2015","54","15","7424","7432","10.1021/acs.inorgchem.5b01001","","","0.71069","MoKα","","0.0916","0.0661","","","0.1809","0.2089","","","","","","0.961","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343951","13.741","0.003","9.346","0.0019","20.294","0.004","90","","90","","90","","2606.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Fe N10 -","- C12 H6 Fe N10 -","- C96 H48 Fe8 N80 -","8","1","","Seredyuk, Maksym; Piñeiro-López, Lucía; Muñoz, M Carmen; Martínez-Casado, Francisco J; Molnár, Gábor; Rodriguez-Velamazán, José Alberto; Bousseksou, Azzedine; Real, José Antonio","Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.","Inorganic chemistry","2015","54","15","7424","7432","10.1021/acs.inorgchem.5b01001","","","0.7999","synchrotron","","0.0376","0.0348","","","0.1125","0.1159","","","","","","0.864","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343952","13.861","0.003","8.245","0.0016","20.792","0.004","90","","90","","90","","2376.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Fe N10 -","- C12 H6 Fe N10 -","- C96 H48 Fe8 N80 -","8","1","","Seredyuk, Maksym; Piñeiro-López, Lucía; Muñoz, M Carmen; Martínez-Casado, Francisco J; Molnár, Gábor; Rodriguez-Velamazán, José Alberto; Bousseksou, Azzedine; Real, José Antonio","Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.","Inorganic chemistry","2015","54","15","7424","7432","10.1021/acs.inorgchem.5b01001","","","0.7999","synchrotron","","0.0449","0.04","","","0.0983","0.1131","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343953","14.807","0.002","14.232","0.002","21.532","0.003","90","","106.085","0.004","90","","4359.9","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 F6 N4 O0.5 P2 Ru -","- C43 H34 F6 N4 P2 Ru -","- C172 H136 F24 N16 P8 Ru4 -","4","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.1093","0.0663","","","0.1177","0.136","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343954","10.5548","0.0007","13.0455","0.0008","15.4633","0.001","85.8168","0.0013","86.5947","0.0013","72.1131","0.0013","2019.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 F6 N4 O0.5 P2 Ru -","- C45 H39 F6 N4 O0.5 P2 Ru -","- C90 H78 F12 N8 O P4 Ru2 -","2","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.0568","0.0487","","","0.1278","0.1333","","","","","","1.03","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343955","9.5091","0.0004","12.5594","0.0005","14.4211","0.0004","97.045","0.002","104.12","0.002","96.5","0.002","1639.22","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 F6 N4 O2 P Ru S -","- C31 H35 F6 N4 O2 P Ru S -","- C62 H70 F12 N8 O4 P2 Ru2 S2 -","2","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.0687","0.0582","","","0.151","0.1649","","","","","","1.089","","","","has coordinates,has disorder","152812","2020-10-21","18:00:00",""
"4343956","8.9301","0.0003","18.1083","0.0006","25.6637","0.0008","90","","97.572","0.001","90","","4113.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cl2 F6 N4 P2 Ru -","- C36 H34 Cl2 F6 N4 P2 Ru -","- C144 H136 Cl8 F24 N16 P8 Ru4 -","4","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.049","0.0403","","","0.0912","0.0943","","","","","","1.082","","","","has coordinates","152812","2020-10-21","18:00:00",""
"4343957","17.9446","0.0015","18.7673","0.0015","24.048","0.002","90","","90","","90","","8098.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H34 F6 N4 P2 Ru -","- C41 H34 F6 N4 P2 Ru -","- C328 H272 F48 N32 P16 Ru8 -","8","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.1462","0.0758","","","0.1874","0.2101","","","","","","0.907","","","","has coordinates,has disorder","152812","2020-10-21","18:00:00",""
"4343958","13.6887","0.001","16.4306","0.0012","18.8102","0.0015","71.259","0.006","88.315","0.006","88.557","0.006","4004.1","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H57 Eu F9 N21 O9 S3 -","- C72 H57 Eu F9 N21 O9 S3 -","- C144 H114 Eu2 F18 N42 O18 S6 -","2","1","","Kiefer, Claude; Wagner, Anna T.; Beele, Björn B; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.","A Complexation Study of 2,6-Bis(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine Using Single-Crystal X-ray Diffraction and TRLFS.","Inorganic chemistry","2015","54","15","7301","7308","10.1021/acs.inorgchem.5b00803","","","0.71073","MoKα","","0.1241","0.0805","","","0.1834","0.2009","","","","","","0.924","","","","has coordinates,has disorder","160491","2020-10-21","18:00:00",""
"4343959","7.78","0.0008","7.78","0.0008","12.0561","0.0013","90","","90","","90","","729.74","0.13","296","2","296","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ge3 Sr -","- Ge3 Sr -","- Ge24 Sr8 -","8","0.25","","Nishikawa, Takuya; Fukuoka, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Electronic Structure of a New Superconducting Strontium Germanide (SrGe3) Containing Ge2 Dumbbells.","Inorganic chemistry","2015","54","15","7433","7437","10.1021/acs.inorgchem.5b00989","","","0.71073","MoKα","","0.0117","0.011","","","0.0258","0.0262","","","","","","1.173","","","","has coordinates","152811","2020-10-21","18:00:00",""
"4343960","8.541","0.004","8.929","0.003","11.603","0.005","98.045","0.009","105.615","0.006","111.101","0.008","767","0.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 F5 N2 O3 S -","- C14 H11 F5 N2 O3 S -","- C28 H22 F10 N4 O6 S2 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0329","0.0302","","","0.0813","0.0835","","","","","","1.046","","","","has coordinates","160492","2020-10-21","18:00:00",""
"4343961","9.07647","0.00017","15.1715","0.0002","15.545","0.0006","87.363","0.002","83.254","0.002","86.9177","0.0014","2121.01","0.1","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 F3 N2 O3 S -","- C20 H25 F3 N2 O3 S -","- C80 H100 F12 N8 O12 S4 -","4","2","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","1.54184","CuKα","","0.0549","0.0379","","","0.0813","0.085","","","","","","0.95","","","","has coordinates","160492","2020-10-21","18:00:00",""
"4343962","15.033","0.007","8.299","0.004","18.767","0.01","90","","92.256","0.009","90","","2340","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl F2 N4 P2 -","- C21 H27 Cl F2 N4 P2 -","- C84 H108 Cl4 F8 N16 P8 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0592","0.0396","","","0.087","0.0966","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343963","11.314","0.006","15.381","0.008","18.388","0.01","90","","100.801","0.011","90","","3143","3","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 F3 N4 O3 P2 S -","- C28 H41 F3 N4 O3 P2 S -","- C112 H164 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0587","0.04","","","0.0982","0.1128","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343964","10.676","0.006","14.087","0.008","24.69","0.015","90","","90","","90","","3713","4","100","2","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 F3 N4 O3 P2 S -","- C34 H53 F3 N4 O3 P2 S -","- C136 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0584","0.0432","","","0.096","0.1021","","","","","","1.069","","","","has coordinates","160492","2020-10-21","18:00:00",""
"4343965","10.42663","0.00007","14.30277","0.0001","31.0113","0.0002","90","","94.0975","0.0006","90","","4612.88","0.05","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 F3 N4 O3 P2 S -","- C51 H49 F3 N4 O3 P2 S -","- C204 H196 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","1.54184","CuKα","","0.0366","0.0348","","","0.0865","0.0876","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343966","19.1547","0.0006","15.5003","0.0004","20.9894","0.0007","90","","111.046","0.004","90","","5816.1","0.3","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 Cl6 F3 N4 O3 P2 S -","- C55 H63 Cl6 F3 N4 O3 P2 S -","- C220 H252 Cl24 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.1243","0.0732","","","0.1936","0.2063","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343967","10.467","0.006","17.866","0.01","19.99","0.012","90","","90","","90","","3738","4","100","2","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H37 F3 N4 O3 P2 S -","- C40 H37 F3 N4 O3 P2 S -","- C160 H148 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0528","0.0412","","","0.097","0.1044","","","","","","1.046","","","","has coordinates,has disorder","160492","2020-10-21","18:00:00",""
"4343968","10.61","0.005","15.089","0.007","17.314","0.008","98.124","0.012","92.831","0.013","91.799","0.013","2739","2","100","2","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C52 H75 Cl4 F3 Ir2 N4 O3 P2 S -","- C52 H75 Cl4 F3 Ir2 N4 O3 P2 S -","- C104 H150 Cl8 F6 Ir4 N8 O6 P4 S2 -","2","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0633","0.0483","","","0.1179","0.1256","","","","","","1.041","","","","has coordinates,has disorder","160492","2020-10-21","18:00:00",""
"4343969","12.8852","0.0003","21.8018","0.0005","21.3323","0.0005","90","","90.932","0.002","90","","5991.9","0.2","120","1","120","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C63 H71 Cl4 F3 Ir2 N4 O3 P2 S -","- C63 H71 Cl4 F3 Ir2 N4 O3 P2 S -","- C252 H284 Cl16 F12 Ir8 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0658","0.0361","","","0.0583","0.0608","","","","","","0.898","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343970","13.08913","0.0001","20.4942","0.00014","20.83769","0.00015","90","","99.0958","0.0007","90","","5519.45","0.07","120","1","120","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H77 Cl2 F3 N4 O3 P2 Rh2 S -","- C48 H69 Cl2 F3 N4 O3 P2 Rh2 S -","- C192 H276 Cl8 F12 N16 O12 P8 Rh8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0429","0.0309","","","0.0704","0.0744","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343971","9.216","0.0007","13.928","0.0011","18.542","0.0015","105.593","0.003","98.297","0.003","108.207","0.003","2108.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Au0.3 Ni0.7 O4 S4 -","- C44 H52 Au0.296 Ni0.704 O4 S4 -","- C88 H104 Au0.592 Ni1.408 O8 S8 -","2","1","","Mebrouk, Kenny; Kaddour, Wafa; Auban-Senzier, Pascale; Pasquier, Claude; Jeannin, Olivier; Camerel, Franck; Fourmigué, Marc","Molecular Alloys of Neutral Gold/Nickel Dithiolene Complexes in Single-Component Semiconductors.","Inorganic chemistry","2015","54","15","7454","7460","10.1021/acs.inorgchem.5b01059","","","0.71073","MoKα","","0.1018","0.0806","","","0.2226","0.2446","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343972","9.3148","0.0014","13.918","0.002","18.489","0.003","105.319","0.005","99.699","0.006","107.845","0.006","2117.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Au0.5 Ni0.5 O4 S4 -","- C44 H52 Au0.505 Ni0.495 O4 S4 -","- C88 H104 Au1.01 Ni0.99 O8 S8 -","2","1","","Mebrouk, Kenny; Kaddour, Wafa; Auban-Senzier, Pascale; Pasquier, Claude; Jeannin, Olivier; Camerel, Franck; Fourmigué, Marc","Molecular Alloys of Neutral Gold/Nickel Dithiolene Complexes in Single-Component Semiconductors.","Inorganic chemistry","2015","54","15","7454","7460","10.1021/acs.inorgchem.5b01059","","","0.71073","MoKα","","0.0929","0.06","","","0.1566","0.1846","","","","","","1.086","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343973","9.3119","0.0003","13.8821","0.0005","18.426","0.0006","105.149","0.001","99.557","0.002","107.742","0.001","2110.15","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Au0.69 Ni0.31 O4 S4 -","- C44 H52 Au0.686 Ni0.314 O4 S4 -","- C88 H104 Au1.372 Ni0.628 O8 S8 -","2","1","","Mebrouk, Kenny; Kaddour, Wafa; Auban-Senzier, Pascale; Pasquier, Claude; Jeannin, Olivier; Camerel, Franck; Fourmigué, Marc","Molecular Alloys of Neutral Gold/Nickel Dithiolene Complexes in Single-Component Semiconductors.","Inorganic chemistry","2015","54","15","7454","7460","10.1021/acs.inorgchem.5b01059","","","0.71073","MoKα","","0.0623","0.0433","","","0.117","0.1435","","","","","","1.14","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343974","9.9797","0.0002","10.1045","0.0002","17.4938","0.0004","93.2436","0.0012","92.1777","0.0012","101.19","0.0012","1725.6","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cl6 Ga2 N4 -","- C32 H32 Cl6 Ga2 N4 -","- C64 H64 Cl12 Ga4 N8 -","2","1","","Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.","Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.","Inorganic chemistry","2015","54","15","7139","7141","10.1021/acs.inorgchem.5b01136","","","0.71073","MoKα","","0.0301","0.024","","","0.0555","0.0577","","","","","","1.038","","","","has coordinates","152802","2020-10-21","18:00:00",""
"4343975","14.0359","0.0008","15.5824","0.0009","20.8077","0.0012","90","","90","","90","","4550.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl3 In N4 -","- C20 H22 Cl3 In N4 -","- C160 H176 Cl24 In8 N32 -","8","1","","Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.","Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.","Inorganic chemistry","2015","54","15","7139","7141","10.1021/acs.inorgchem.5b01136","","","0.71073","MoKα","","0.0296","0.0203","","","0.043","0.0463","","","","","","1.04","","","","has coordinates","152802","2020-10-21","18:00:00",""
"4343976","15.7879","0.0007","22.0145","0.0009","25.0668","0.0011","90","","99.624","0.002","90","","8589.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 Al2 Cl6 N5 O -","- C38 H45 Al2 Cl6 N5 O -","- C304 H360 Al16 Cl48 N40 O8 -","8","2","","Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.","Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.","Inorganic chemistry","2015","54","15","7139","7141","10.1021/acs.inorgchem.5b01136","","","0.71073","MoKα","","0.0566","0.0383","","","0.085","0.0921","","","","","","1.044","","","","has coordinates,has disorder","152802","2020-10-21","18:00:00",""
"4343977","21.7912","0.0018","14.8974","0.0012","33.153","0.003","90","","108.161","0.001","90","","10226.4","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H143 B F2 N2 P4 Pt2 -","- C101 H143 B F2 N2 P4 Pt2 -","- C404 H572 B4 F8 N8 P16 Pt8 -","4","1","","Yang, Wenbo; Karatay, Ahmet; Zhao, Jianzhang; Song, Jian; Zhao, Liang; Xing, Yongheng; Zhang, Caishun; He, Cheng; Yaglioglu, Halime Gul; Hayvali, Mustafa; Elmali, Ayhan; Küçüköz, Betül","Near-IR Broadband-Absorbing trans-Bisphosphine Pt(II) Bisacetylide Complexes: Preparation and Study of the Photophysics.","Inorganic chemistry","2015","54","15","7492","7505","10.1021/acs.inorgchem.5b01107","","","0.71073","MoKα","","0.1278","0.0477","","","0.0674","0.0823","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343978","15.292","0.003","17.398","0.003","25.54","0.004","102.092","0.003","94.011","0.003","103.69","0.003","6404","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C127 H169 B3 F6 N6 P4 Pt2 -","- C127 H169 B3 F6 N6 P4 Pt2 -","- C254 H338 B6 F12 N12 P8 Pt4 -","2","1","","Yang, Wenbo; Karatay, Ahmet; Zhao, Jianzhang; Song, Jian; Zhao, Liang; Xing, Yongheng; Zhang, Caishun; He, Cheng; Yaglioglu, Halime Gul; Hayvali, Mustafa; Elmali, Ayhan; Küçüköz, Betül","Near-IR Broadband-Absorbing trans-Bisphosphine Pt(II) Bisacetylide Complexes: Preparation and Study of the Photophysics.","Inorganic chemistry","2015","54","15","7492","7505","10.1021/acs.inorgchem.5b01107","","","0.71073","MoKα","","0.1092","0.0496","","","0.0952","0.1113","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343979","13.2203","0.0006","15.6458","0.0007","16.3157","0.0008","70.832","0.001","69.592","0.001","74.824","0.001","2946","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Ge Mo10 N10 Ni2 O40 -","- C36 H30 Ge Mo10 N10 Ni2 O40 -","- C72 H60 Ge2 Mo20 N20 Ni4 O80 -","2","1","","Zhou, Shi; Liu, Bo; Shi, Tian; Li, Xiao-Min; Chen, Ya-Guang","Two Compounds Constructed from Bimolybdenum-Capped Sandwich-Type Tetra-Ni-molybdogermanate and N-Donor Multidentate Ligand.","Inorganic chemistry","2015","54","15","7165","7170","10.1021/acs.inorgchem.5b00227","","","0.71073","MoKα","","0.0635","0.0405","","","0.0954","0.1071","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343980","13.105","0.005","15.255","0.005","19.002","0.005","71.97","0.005","74.56","0.005","79.579","0.005","3462","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Ge Mo10 N10 Ni3 O44 -","- C36 H29 Ge Mo10 N10 Ni3 O43.99 -","- C72 H58 Ge2 Mo20 N20 Ni6 O87.98 -","2","1","","Zhou, Shi; Liu, Bo; Shi, Tian; Li, Xiao-Min; Chen, Ya-Guang","Two Compounds Constructed from Bimolybdenum-Capped Sandwich-Type Tetra-Ni-molybdogermanate and N-Donor Multidentate Ligand.","Inorganic chemistry","2015","54","15","7165","7170","10.1021/acs.inorgchem.5b00227","","","0.71073","MoKα","","0.0452","0.0373","","","0.1084","0.1151","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343981","24.9994","0.0005","24.9994","0.0005","17.3225","0.0004","90","","90","","120","","9375.6","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H50.16 Cl2 N6 O14.58 V2 -","- C32 H30 Cl2 N6 O14.586 V2 -","- C288 H270 Cl18 N54 O131.274 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.1286","0.0641","","","0.1731","0.1935","","","","","","0.928","","","","has coordinates,has disorder","152797","2020-10-21","18:00:00",""
"4343982","6.5655","0.0009","10.081","0.0013","11.7778","0.0014","97.637","0.01","101.977","0.011","102.252","0.011","732.32","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 O6 V2 -","- C32 H30 N6 O6 V2 -","- C32 H30 N6 O6 V2 -","1","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.1187","0.0787","","","0.1998","0.2325","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343983","24.9734","0.0004","24.9734","0.0004","17.3106","0.0005","90","","90","","120","","9349.7","0.3","89","2","89","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H45.62 Cl2 N6 O12.31 V2 -","- C32 H30 Cl2 N6 O12.314 V2 -","- C288 H270 Cl18 N54 O110.826 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0805","0.0542","","","0.1565","0.1697","","","","","","0.999","","","","has coordinates,has disorder","152797","2020-10-21","18:00:00",""
"4343984","25.6422","0.0017","33.986","0.002","30.3523","0.0019","90","0.005","105.348","0.006","90","0.005","25508","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H174 Cl3 N18 O57.25 V6 -","- C96 H90 Cl1.238 N18 O55.842 V6 -","- C768 H720 Cl9.904 N144 O446.736 V48 -","8","1","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.2552","0.0984","","","0.2129","0.2636","","","","","","0.922","","","","has coordinates,has disorder","152797","2020-10-21","18:00:00",""
"4343985","6.6604","0.0007","15.3134","0.0016","18.6871","0.0019","90","","94.365","0.008","90","","1900.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl2 N6 O6 V2 -","- C38 H42 Cl2 N6 O6 V2 -","- C76 H84 Cl4 N12 O12 V4 -","2","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0947","0.046","","","0.1211","0.1262","","","","","","0.934","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343986","8.5184","0.0005","8.8638","0.0004","9.6279","0.0005","85.629","0.004","75.918","0.005","80.203","0.004","694.37","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N6 O2 -","- C32 H32 N6 O2 -","- C32 H32 N6 O2 -","1","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0609","0.0404","","","0.1031","0.1074","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343987","6.6738","0.0002","15.1821","0.0005","18.6301","0.0007","90","","95.239","0.004","90","","1879.76","0.11","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl2 N8 O4 V2 -","- C36 H30 Cl2 N8 O4 V2 -","- C72 H60 Cl4 N16 O8 V4 -","2","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.1565","0.0626","","","0.1246","0.1458","","","","","","0.833","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343988","24.974","0.0011","24.974","0.0014","17.5048","0.0006","90","0.004","90","0.003","120","0.005","9455.1","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H45.9 Cl2 N6 O12.45 V2 -","- C32 H30 Cl2 N6 O12.456 V2 -","- C288 H270 Cl18 N54 O112.104 V18 -","9","0.5","","Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.","Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.","Inorganic chemistry","2015","54","15","7218","7229","10.1021/acs.inorgchem.5b00571","","","0.71073","MoKα","","0.0601","0.0521","","","0.1489","0.1563","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343989","14.1597","0.001","12.692","0.0009","16.8149","0.0012","90","","90","","90","","3021.9","0.4","170","","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H32 N6 -","- C38 H32 N6 -","- C152 H128 N24 -","4","0.5","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","","0.71073","MoKα","","0.1219","0.0598","","","0.1127","0.1376","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343990","24.0317","0.0008","21.8566","0.0006","16.6332","0.0005","90","","94.927","0.003","90","","8704.3","0.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl8 N6 Zn2 -","- C40 H36 Cl8 N6 Zn2 -","- C320 H288 Cl64 N48 Zn16 -","8","1","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","x-ray","0.71073","MoKα","","0.079","0.0559","","","0.1613","0.1698","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343991","11.4848","0.0003","14.0632","0.0004","14.664","0.0003","114.033","0.002","104.092","0.002","103.262","0.002","1948.36","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H66 Cl10 Co4 N12 -","- C77 H66 Cl10 Co4 N12 -","- C77 H66 Cl10 Co4 N12 -","1","0.5","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","x-ray","0.71073","MoKα","","0.0522","0.0405","","","0.1006","0.1109","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343992","11.6009","0.0004","12.7092","0.0005","15.7873","0.0005","67.175","0.003","76.532","0.003","65.461","0.003","1944.44","0.13","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Cl5 Cu3 N6 -","- C39 H34 Cl5 Cu3 N6 -","- C78 H68 Cl10 Cu6 N12 -","2","1","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","x-ray","0.71073","MoKα","","0.063","0.0505","","","0.125","0.1372","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343993","10.1545","0.0005","35.952","0.002","20.648","0.001","90","","94.182","0.005","90","","7518","0.7","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 Cl4 N6 Ni O2 -","- C39 H37.8 Cl4 N6 Ni O2 -","- C312 H302.4 Cl32 N48 Ni8 O16 -","8","2","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","","0.71073","MoKα","","0.1263","0.0715","","","0.1567","0.1905","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343994","9.4072","0.0007","11.0781","0.0007","19.9755","0.0014","94.384","0.005","101.866","0.006","103.475","0.006","1964.2","0.2","170","2","170","2","","","","","","","","6","P 1","P 1","1","","","","- C79 H76 Cl10 Fe3 N12 O2 -","- C79 H76 Cl10 Fe3 N12 O2 -","- C79 H76 Cl10 Fe3 N12 O2 -","1","1","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","x-ray","0.71073","MoKα","","0.0536","0.0409","","","0.0962","0.1008","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343995","29.3948","0.0019","21.2938","0.0014","28.618","0.0019","90","","110.722","0.001","90","","16754","1.9","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu12 N28 Na O147 P5 W30 -","- C36 H26 Cu12 N28 Na O147 P5 W30 -","- C144 H104 Cu48 N112 Na4 O588 P20 W120 -","4","0.5","","Hu, Tuo-Ping; Zhao, Ya-Qin; Jagličić, Zvonko; Yu, Kai; Wang, Xing-Po; Sun, Di","Four Hybrid Materials Based on Preyssler P5W30 Polyoxometalate and First-Row Transition-Metal Complex.","Inorganic chemistry","2015","54","15","7415","7423","10.1021/acs.inorgchem.5b00962","","","0.71073","MoKα","","0.0563","0.0466","","","0.1203","0.1277","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343996","21.5819","0.0017","19.2279","0.0016","25.74","0.002","90","","95.2863","0.0015","90","","10636","1.5","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cu10 K N42 O125 P5 W30 -","- C54 H46 Cu10 K N42 O125 P5 W30 -","- C108 H92 Cu20 K2 N84 O250 P10 W60 -","2","0.5","","Hu, Tuo-Ping; Zhao, Ya-Qin; Jagličić, Zvonko; Yu, Kai; Wang, Xing-Po; Sun, Di","Four Hybrid Materials Based on Preyssler P5W30 Polyoxometalate and First-Row Transition-Metal Complex.","Inorganic chemistry","2015","54","15","7415","7423","10.1021/acs.inorgchem.5b00962","","","0.71073","MoKα","","0.1197","0.0997","","","0.2673","0.2796","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343997","25.457","0.0015","21.8687","0.0013","34.667","0.002","90","","108.143","0.001","90","","18340","1.9","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 N24 Na Ni6 O127 P5 W30 -","- C60 H84 N24 Na Ni6 O127 P5 W30 -","- C240 H336 N96 Na4 Ni24 O508 P20 W120 -","4","0.5","","Hu, Tuo-Ping; Zhao, Ya-Qin; Jagličić, Zvonko; Yu, Kai; Wang, Xing-Po; Sun, Di","Four Hybrid Materials Based on Preyssler P5W30 Polyoxometalate and First-Row Transition-Metal Complex.","Inorganic chemistry","2015","54","15","7415","7423","10.1021/acs.inorgchem.5b00962","","","0.71073","MoKα","","0.0859","0.0592","","","0.1424","0.1518","","","","","","0.889","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343998","27.019","0.002","38.427","0.003","38.738","0.003","90","","90","","90","","40220","5","298","2","298.15","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C60 H84 Co4 K N24 O120 P5 W30 -","- C60 H84 Co4 K N24 O120 P5 W30 -","- C480 H672 Co32 K8 N192 O960 P40 W240 -","8","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Jagličić, Zvonko; Yu, Kai; Wang, Xing-Po; Sun, Di","Four Hybrid Materials Based on Preyssler P5W30 Polyoxometalate and First-Row Transition-Metal Complex.","Inorganic chemistry","2015","54","15","7415","7423","10.1021/acs.inorgchem.5b00962","","","0.71073","MOKα","","0.1446","0.1146","","","0.2506","0.2689","","","","","","0.923","","","","has coordinates","152803","2020-10-21","18:00:00",""
"4343999","12.4423","0.0014","14.0988","0.0017","16.284","0.002","99.801","0.006","96.207","0.008","91.836","0.005","2794.7","0.6","298","2","298","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H41 B3 Cl F12 N11 O Ru2 -","- C57 H39 B3 Cl F12 N11 O Ru2 -","- C114 H78 B6 Cl2 F24 N22 O2 Ru4 -","2","1","","Hirahara, Masanari; Nagai, Sho; Takahashi, Kosuke; Saito, Kenji; Yui, Tatsuto; Yagi, Masayuki","New Series of Dinuclear Ruthenium(II) Complexes Synthesized Using Photoisomerization for Efficient Water Oxidation Catalysis.","Inorganic chemistry","2015","54","15","7627","7635","10.1021/acs.inorgchem.5b01264","","","0.71075","MoKα","","0.1288","0.0623","","","0.1167","0.1629","","","","","","1.097","","","","has coordinates","152804","2020-10-21","18:00:00",""
"4344000","10.3757","0.0005","42.223","0.002","13.7118","0.0007","90","","91.351","0.001","90","","6005.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H40 Cl3 N11 O16 Ru2 -","- C57 H40 Cl3 N11 O16 Ru2 -","- C228 H160 Cl12 N44 O64 Ru8 -","4","1","","Hirahara, Masanari; Nagai, Sho; Takahashi, Kosuke; Saito, Kenji; Yui, Tatsuto; Yagi, Masayuki","New Series of Dinuclear Ruthenium(II) Complexes Synthesized Using Photoisomerization for Efficient Water Oxidation Catalysis.","Inorganic chemistry","2015","54","15","7627","7635","10.1021/acs.inorgchem.5b01264","","","0.71073","MoKα","","0.1079","0.0627","","","0.1708","0.1999","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344001","12.542","0.005","13.661","0.005","13.794","0.006","71.055","0.015","74.7","0.018","64.55","0.014","1997","1.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cl2 N8 O2 Ru -","- C42 H28 Cl2 N8 O2 Ru -","- C84 H56 Cl4 N16 O4 Ru2 -","2","1","","Hirahara, Masanari; Nagai, Sho; Takahashi, Kosuke; Saito, Kenji; Yui, Tatsuto; Yagi, Masayuki","New Series of Dinuclear Ruthenium(II) Complexes Synthesized Using Photoisomerization for Efficient Water Oxidation Catalysis.","Inorganic chemistry","2015","54","15","7627","7635","10.1021/acs.inorgchem.5b01264","","","0.71075","MoKα","","0.0596","0.0531","","","0.1641","0.177","","","","","","0.999","","","","has coordinates,has disorder","152804","2020-10-21","18:00:00",""
"4344002","10.7704","0.0007","20.1471","0.0011","6.4727","0.0003","90","","90.582","0.005","90","","1404.45","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 La2 O15 -","- C4 H9 B5 La2 O15 -","- C16 H36 B20 La8 O60 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0652","0.0622","","","0.156","0.1615","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344003","10.7454","0.0007","20.0674","0.0011","6.458","0.0004","90","","90.527","0.006","90","","1392.49","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 Ce2 O15 -","- C4 H9 B5 Ce2 O15 -","- C16 H36 B20 Ce8 O60 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0603","0.0573","","","0.1418","0.1449","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344004","10.6897","0.0009","19.9883","0.0016","6.4273","0.0005","90","","90.545","0.008","90","","1373.25","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H9 B5 O15 Pr2 -","- C4 H9 B5 O15 Pr2 -","- C16 H36 B20 O60 Pr8 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0748","0.0685","","","0.162","0.1697","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344005","10.9596","0.0007","20.2634","0.0012","6.476","0.0003","90","","90.54","0.006","90","","1438.12","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 La2 O14 -","- C4 H7 B5 La2 O14 -","- C16 H28 B20 La8 O56 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","0.71073","MoKα","","0.0454","0.0399","","","0.0767","0.0813","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344006","10.951","0.0005","20.2411","0.0009","6.4535","0.0003","90","","90.494","0.004","90","","1430.43","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 Ce2 O14 -","- C4 H7 B5 Ce2 O14 -","- C16 H28 B20 Ce8 O56 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","1.54178","CuKα","","0.0542","0.0522","","","0.1303","0.1336","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344007","10.9265","0.0006","20.2045","0.0008","6.4365","0.0003","90","","90.528","0.004","90","","1420.89","0.12","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 B5 O14 Pr2 -","- C4 H7 B5 O14 Pr2 -","- C16 H28 B20 O56 Pr8 -","4","1","","Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.","Inorganic chemistry","2015","54","15","7516","7523","10.1021/acs.inorgchem.5b01126","","","1.54178","CuKα","","0.0482","0.0436","","","0.105","0.1096","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344008","21.2775","0.0017","13.6296","0.0011","4.4283","0.0004","90","","90","","90","","1284.22","0.19","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Cs2 Li5 O14 -","- B7 Cs2 Li5 O14 -","- B28 Cs8 Li20 O56 -","4","0.5","","Li, Lin; Han, Shujuan; Lei, Binghua; Dong, Xiaoyu; Wu, Hongping; Zhou, Zhongxiang; Yang, Zhihua; Pan, Shilie","Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.","Inorganic chemistry","2015","54","15","7381","7387","10.1021/acs.inorgchem.5b00926","","","0.71073","MoKα","","0.0219","0.0192","","","0.0429","0.0443","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344009","6.894","0.005","9.369","0.006","16.004","0.011","90","","98.271","0.009","90","","1022.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 Cs Li4 O10 -","- B5 Cs Li4 O10 -","- B20 Cs4 Li16 O40 -","4","1","","Li, Lin; Han, Shujuan; Lei, Binghua; Dong, Xiaoyu; Wu, Hongping; Zhou, Zhongxiang; Yang, Zhihua; Pan, Shilie","Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.","Inorganic chemistry","2015","54","15","7381","7387","10.1021/acs.inorgchem.5b00926","","","0.71073","MoKα","","0.0621","0.0412","","","0.0879","0.0979","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344010","12.9293","0.0004","12.9293","0.0004","16.308","0.0006","90","","90","","120","","2360.92","0.13","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 N4 O3 Yb -","- C27 H27 N4 O3 Yb -","- C108 H108 N16 O12 Yb4 -","4","0.333333","","Pedersen, Kasper S.; Dreiser, Jan; Weihe, Høgni; Sibille, Romain; Johannesen, Heini V.; Sørensen, Mikkel A; Nielsen, Bjarne E.; Sigrist, Marc; Mutka, Hannu; Rols, Stephane; Bendix, Jesper; Piligkos, Stergios","Design of Single-Molecule Magnets: Insufficiency of the Anisotropy Barrier as the Sole Criterion.","Inorganic chemistry","2015","54","15","7600","7606","10.1021/acs.inorgchem.5b01209","","","0.71073","MoKα","","0.0441","0.026","","","0.0684","0.0787","","","","","","1.0402","","","","has coordinates","160489","2020-10-21","18:00:00",""
"4344011","7.996","0.0016","9.3788","0.0019","11.06","0.002","85.71","0.03","77.61","0.03","65.13","0.03","734.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O Zn -","- C13 H12 Cl2 N2 O Zn -","- C26 H24 Cl4 N4 O2 Zn2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0596","0.0418","","","0.102","0.1208","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344012","20.3658","0.0009","8.3249","0.0003","17.2301","0.0005","90","","93.363","0.003","90","","2916.22","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl2 Hg N2 O -","- C13 H12 Cl2 Hg N2 O -","- C104 H96 Cl16 Hg8 N16 O8 -","8","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0712","0.0438","","","0.0665","0.0772","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344013","7.981","0.0016","16.462","0.003","19.508","0.004","68.04","0.03","83.45","0.03","77.33","0.03","2317.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O Zn -","- C14 H14 Cl2 N2 O Zn -","- C84 H84 Cl12 N12 O6 Zn6 -","6","3","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0845","0.0724","","","0.1873","0.1925","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344014","12.827","0.002","7.7544","0.0015","18.21","0.002","90","","121.45","0.009","90","","1545.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 Hg N2 O -","- C14 H14 Cl2 Hg N2 O -","- C56 H56 Cl8 Hg4 N8 O4 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0485","0.0377","","","0.0878","0.0936","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344015","14.8508","0.0008","17.0038","0.0006","12.5663","0.0007","90","","112.049","0.006","90","","2941.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","2","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.1412","0.0673","","","0.1708","0.2199","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344016","7.896","0.0016","8.027","0.0016","15.009","0.003","82.46","0.03","82.35","0.03","72.42","0.03","894.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O Zn -","- C16 H18 Cl2 N2 O Zn -","- C32 H36 Cl4 N4 O2 Zn2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0866","0.0535","","","0.1456","0.1743","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344017","15.246","0.003","7.5877","0.0015","16.816","0.003","90","","111.32","0.03","90","","1812.2","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H18 Cl2 Hg N2 O -","- C16 H18 Cl2 Hg N2 O -","- C32 H36 Cl4 Hg2 N4 O2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Gao, Song; Zhang, Hui-Jie; Yang, Yu-Lin; Wang, Yu-Lei","Tunable Luminescence and Application in Dye-Sensitized Solar Cells of Zn(II)/Hg(II) Complexes: Methyl Substitution-Induced Supramolecular Structures Based on (E)-N-(6-Methoxypyridin-2-ylmethylene)arylamine Derivatives.","Inorganic chemistry","2015","54","16","7742","7752","10.1021/acs.inorgchem.5b00661","","","0.71073","MoKα","","0.0301","0.0284","","","0.0608","0.0619","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344018","10.27","0.005","18.93","0.01","19.31","0.01","90","","90","","90","","3754","3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ph2PPrPDIMoI2","Ph2PPrPDIMoI2","","- C39 H41 I2 Mo N3 P2 -","- C39 H41 I2 Mo N3 P2 -","- C156 H164 I8 Mo4 N12 P8 -","4","1","","Pal, Raja; Groy, Thomas L.; Trovitch, Ryan J.","Conversion of Carbon Dioxide to Methanol Using a C-H Activated Bis(imino)pyridine Molybdenum Hydroboration Catalyst.","Inorganic chemistry","2015","54","15","7506","7515","10.1021/acs.inorgchem.5b01102","","","0.71073","MoKα","","0.0708","0.0515","","","0.1166","0.1273","","","","","","1.028","","","","has coordinates","152810","2020-10-21","18:00:00",""
"4344019","10.3197","0.0012","13.0922","0.0015","14.2479","0.0017","81.129","0.004","82.476","0.003","76.341","0.003","1839.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","K6Ph2PPrPDIMoH","","","- C85 H89 Mo2 N6 P4 -","- C85 H89 Mo2 N6 P4 -","- C85 H89 Mo2 N6 P4 -","1","0.5","","Pal, Raja; Groy, Thomas L.; Trovitch, Ryan J.","Conversion of Carbon Dioxide to Methanol Using a C-H Activated Bis(imino)pyridine Molybdenum Hydroboration Catalyst.","Inorganic chemistry","2015","54","15","7506","7515","10.1021/acs.inorgchem.5b01102","","","0.71073","MoKα","","0.1221","0.0776","","","0.1536","0.1734","","","","","","1.069","","","","has coordinates,has disorder","152810","2020-10-21","18:00:00",""
"4344020","17.75","0.004","11.468","0.002","16.65","0.003","90","","96.684","0.003","90","","3366.2","1.1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(2-pic)3-m-ABS","","","- C31 H40 Fe N8 O7 S2 -","- C31 H40 Fe N8 O7 S2 -","- C124 H160 Fe4 N32 O28 S8 -","4","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.0993","0.0536","","","0.1316","0.1637","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344021","18.032","0.004","11.313","0.002","16.684","0.003","90","","95.747","0.003","90","","3386.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(2-pic)3-m-ABS","","","- C31 H40 Fe N8 O7 S2 -","- C31 H40 Fe N8 O7 S2 -","- C124 H160 Fe4 N32 O28 S8 -","4","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.1014","0.0491","","","0.1121","0.144","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344022","12.5927","0.0018","13.5534","0.0019","18.363","0.003","90","","90.481","0.002","90","","3134","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(2-pic)3-p-ABS","","","- C30 H36 Fe N8 O6 S2 -","- C30 H36 Fe N8 O6 S2 -","- C120 H144 Fe4 N32 O24 S8 -","4","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.0416","0.0334","","","0.0838","0.0879","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344023","13.0398","0.0018","13.5849","0.0019","18.575","0.003","90","","90.588","0.002","90","","3290.3","0.8","370","2","370","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(2-pic)3-p-ABS","","","- C30 H36 Fe N8 O6 S2 -","- C30 H36 Fe N8 O6 S2 -","- C120 H144 Fe4 N32 O24 S8 -","4","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.066","0.0423","","","0.1015","0.1149","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344024","7.3928","0.0008","10.6332","0.0012","17.5912","0.0019","75.826","0.001","88.676","0.001","82.159","0.001","1328.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Fe(2-pic)3-OTf","","","- C20 H24 F6 Fe N6 O6 S2 -","- C20 H24 F6 Fe N6 O6 S2 -","- C40 H48 F12 Fe2 N12 O12 S4 -","2","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.0386","0.0356","","","0.0987","0.1105","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344025","7.5337","0.0008","10.7234","0.0012","17.7641","0.0019","75.399","0.001","89.59","0.001","81.879","0.001","1374.2","0.3","320","2","320","2","","","","","","","","7","P -1","-P 1","2","Fe(pic)3-oTf","","","- C20 H24 F6 Fe N6 O6 S2 -","- C20 H24 F6 Fe N6 O6 S2 -","- C40 H48 F12 Fe2 N12 O12 S4 -","2","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.0523","0.045","","","0.1199","0.1264","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344026","7.625","0.01","11.616","0.015","17.52","0.02","70.742","0.015","80.735","0.016","81.149","0.018","1437","3","360","2","360","2","","","","","","","","7","P -1","-P 1","2","Fe(pic)3-oTf","","","- C20 H24 F6 Fe N6 O6 S2 -","- C20 H24 F6 Fe N6 O6 S2 -","- C40 H48 F12 Fe2 N12 O12 S4 -","2","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.1564","0.0779","","","0.1961","0.2392","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344027","7.687","0.01","11.519","0.015","17.66","0.02","70.343","0.015","80.392","0.016","80.945","0.018","1443","3","400","2","400","2","","","","","","","","7","P -1","-P 1","2","Fe(pic)3-oTf","","","- C20 H24 F6 Fe N6 O6 S2 -","- C20 H24 F6 Fe N6 O6 S2 -","- C40 H48 F12 Fe2 N12 O12 S4 -","2","1","","Zhao, Xin-Hua; Zhang, Shao-Liang; Shao, Dong; Wang, Xin-Yi","Spin Crossover in [Fe(2-Picolylamine)3](2+) Adjusted by Organosulfonate Anions.","Inorganic chemistry","2015","54","16","7857","7867","10.1021/acs.inorgchem.5b00870","","","0.71073","MoKα","","0.1858","0.0937","","","0.248","0.3088","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344028","13.9775","0.0005","17.7557","0.0005","21.8287","0.0008","68.762","0.002","85.665","0.003","72.449","0.002","4811","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H118 N6 O24 Tb4 -","- C87 H118 N6 O24 Tb4 -","- C174 H236 N12 O48 Tb8 -","2","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.1727","0.0815","","","0.1411","0.1652","","","","","","0.902","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344029","31.154","0.006","11.549","0.002","24.197","0.005","90","","90","","90","","8706","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H113 Dy4 N5 O27 -","- C80 H109 Dy4 N5 O27 -","- C320 H436 Dy16 N20 O108 -","4","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.0791","0.0555","","","0.1282","0.1419","","","","","","0.979","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344030","27.378","0.006","29.921","0.006","32.547","0.007","90","","90","","90","","26662","10","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C140 H140 Dy5 N6 O27 -","- C140 H130 Dy5 N6 O27 -","- C1120 H1040 Dy40 N48 O216 -","8","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.108","0.0469","","","0.0746","0.087","","","","","","0.868","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344031","13.9186","0.0005","17.6449","0.0005","21.6536","0.0008","68.463","0.002","85.537","0.003","72.381","0.002","4711.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H118 N6 O24 Tm4 -","- C87 H108 N6 O24 Tm4 -","- C174 H216 N12 O48 Tm8 -","2","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.0448","0.035","","","0.0866","0.0903","","","","","","1.022","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344032","18.72","0.002","48.938","0.007","8.0507","0.0009","90","","90","","90","","7375.4","1.6","123","","123","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C40 H35 B F2 Fe N2 O4 -","- C40 H35 B F2 Fe N2 O4 -","- C320 H280 B8 F16 Fe8 N16 O32 -","8","1","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","0.71075","MoKα","","0.2338","0.1118","","0.2705","0.1552","0.2346","","","","","","0.9932","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344033","13.5752","0.0002","15.8246","0.0002","18.0956","0.0012","103.13","0.007","94.42","0.007","91.117","0.006","3771.7","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37.5 B F2 Fe N3 O3 -","- C43 H37.5 B F2 Fe N3 O3 -","- C172 H150 B4 F8 Fe4 N12 O12 -","4","2","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","1.54187","CuKα","","0.1701","0.0997","","0.2496","0.1802","0.2493","","","","","","0.9457","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344034","11.2986","0.0002","11.5422","0.0008","36.2597","0.0006","90","","90","","116.998","0.008","4213.3","0.4","123","","123","","","","","","","","","7","P 1 1 21/n","-P 2n","14","","","","- C49 H44 B F2 Fe N3 O4 -","- C49 H44 B F2 Fe N3 O4 -","- C196 H176 B4 F8 Fe4 N12 O16 -","4","1","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","0.71075","MoKα","","0.0868","0.0784","","0.1644","0.155","0.1644","","","","","","0.994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344035","11.4501","0.0003","12.3332","0.0003","16.101","0.0011","110.795","0.008","94.81","0.007","94.587","0.007","2103.4","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 B F2 Fe2 N2 O4 -","- C51 H43 B F2 Fe2 N2 O4 -","- C102 H86 B2 F4 Fe4 N4 O8 -","2","1","","Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.","Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.","Inorganic chemistry","2015","54","16","7915","7928","10.1021/acs.inorgchem.5b00992","","","0.71075","MoKα","","0.0616","0.0438","","0.0913","0.0727","0.0913","","","","","","0.9345","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344036","13.184","0.002","11.97","0.002","26.428","0.005","90","","90","","90","","4170.7","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C45 H35 Cl3 F4 N2 O4 Pt2 -","- C45 H35 Cl3 F4 N2 O4 Pt2 -","- C180 H140 Cl12 F16 N8 O16 Pt8 -","4","0.5","","Xing, Yang; Liu, Chun; Xiu, Jing-Hai; Li, Jiu-Yan","Photostable Fluorophenyl-Substituted Cyclometalated Platinum(II) Emitters for Monitoring of Molecular Oxygen in Real Time.","Inorganic chemistry","2015","54","16","7783","7790","10.1021/acs.inorgchem.5b00775","","","0.71073","MoKα","","0.0366","0.0302","","","0.102","0.1064","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344037","13.2671","0.001","12.1276","0.001","26.656","0.002","90","","90","","90","","4288.9","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C46 H33 Cl3 F6 N2 O4 Pt2 -","- C46 H33 Cl3 F6 N2 O4 Pt2 -","- C184 H132 Cl12 F24 N8 O16 Pt8 -","4","0.5","","Xing, Yang; Liu, Chun; Xiu, Jing-Hai; Li, Jiu-Yan","Photostable Fluorophenyl-Substituted Cyclometalated Platinum(II) Emitters for Monitoring of Molecular Oxygen in Real Time.","Inorganic chemistry","2015","54","16","7783","7790","10.1021/acs.inorgchem.5b00775","","","0.71073","MoKα","","0.0448","0.0381","","","0.1628","0.169","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344038","9.6178","0.0006","14.0395","0.0005","14.4328","0.0008","90","","103.813","0.004","90","","1892.49","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O7 U -","- C18 H17 N O7 U -","- C72 H68 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.078","0.0368","","","0.0624","0.0698","","","","","","0.925","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344039","9.9581","0.0005","11.8537","0.0004","16.0919","0.0009","90","","100.471","0.003","90","","1867.86","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C76 H68 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0619","0.037","","","0.0915","0.0981","","","","","","1.036","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344040","14.0825","0.0007","16.3562","0.0011","18.4268","0.0012","84.655","0.003","78.198","0.004","68.953","0.003","3876.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C152 H136 N8 O56 U8 -","8","4","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0882","0.038","","","0.0563","0.066","","","","","","0.85","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344041","13.2606","0.0011","29.6449","0.0019","8.4799","0.0006","90","","121.965","0.005","90","","2828.1","0.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C60 H42 N6 Ni O17 U2 -","- C60 H40 N6 Ni O17 U2 -","- C120 H80 N12 Ni2 O34 U4 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0691","0.0475","","","0.1182","0.1256","","","","","","1.047","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344042","26.3865","0.0006","26.3865","0.0006","47.5157","0.0017","90","","90","","90","","33082.7","1.6","150","2","150","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C72 H60 N6 Ni O22 U2 -","- C72 H57 N6 Ni O22 U2 -","- C1152 H912 N96 Ni16 O352 U32 -","16","1","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0747","0.0482","","","0.1155","0.1234","","","","","","1.034","","","","has coordinates","160494","2020-10-21","18:00:00",""
"4344043","32.8519","0.0012","44.1088","0.0012","46.172","0.0013","90","","90","","90","","66906","4","150","2","150","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C78 H56 N6 Ni O20 U2 -","- C78 H48 N6 Ni O20 U2 -","- C2496 H1536 N192 Ni32 O640 U64 -","32","","","Thuéry, Pierre; Harrowfield, Jack","Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.","Inorganic chemistry","2015","54","16","8093","8102","10.1021/acs.inorgchem.5b01323","","","0.71073","MoKα","","0.0953","0.053","","","0.143","0.1593","","","","","","1.016","","","","has coordinates,has disorder","160494","2020-10-21","18:00:00",""
"4344044","9.0219","0.0018","16.256","0.003","22.75","0.004","110.71","0.03","97.09","0.03","93.99","0.03","3073.9","1.2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H48 F12 N8 O4 Os P2 -","- C58 H48 F12 N8 O4 Os P2 -","- C116 H96 F24 N16 O8 Os2 P4 -","2","1","","Sun, Meng-Jia; Shao, Jiang-Yang; Yao, Chang-Jiang; Zhong, Yu-Wu; Yao, Jiannian","Osmium Bisterpyridine Complexes with Redox-Active Amine Substituents: A Comparison Study with Ruthenium Analogues.","Inorganic chemistry","2015","54","16","8136","8147","10.1021/acs.inorgchem.5b01420","","","0.71073","MoKα","","0.0819","0.0804","","","0.2086","0.2107","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344045","6.63305","0.00005","15.41708","0.00012","11.94167","0.00012","90","","103.335","0.0009","90","","1188.26","0.018","","","295","","","","","","","","","7","P 1 21 1","P 2yb","4","","","ZrPOF-Epy","- C10.1 H15.41 F N1.7 O16 P3 Zr3 -","- C10.095 H13.41 F N1.695 O16 P3 Zr3 -","- C20.19 H26.82 F2 N3.39 O32 P6 Zr6 -","2","1","","Smeets, Stef; Liu, Lei; Dong, Jinxiang; McCusker, Lynne B.","Ionothermal Synthesis and Structure of a New Layered Zirconium Phosphate.","Inorganic chemistry","2015","54","16","7953","7958","10.1021/acs.inorgchem.5b01094","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344046","15.5519","0.0012","16.8841","0.0014","18.1601","0.0015","64.778","0.002","79.495","0.003","89.554","0.003","4228.4","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","(Kcrypt)2{(Ge9R3)PdGe9R3)}.2MeCN","","","- C47 H120 Ge9 K N3 O6 Pd0.5 Si12 -","- C47 H120 Ge9 K N3 O6 Pd0.5 Si12 -","- C94 H240 Ge18 K2 N6 O12 Pd Si24 -","2","1","","Li, Feng; Sevov, Slavi C.","Coordination of Tri-Substituted Nona-Germanium Clusters to Cu(I) and Pd(0).","Inorganic chemistry","2015","54","16","8121","8125","10.1021/acs.inorgchem.5b01371","","","0.71073","MoKα","","0.0496","0.0299","","","0.0692","0.0775","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344047","38.399","0.003","27.38","0.003","30.128","0.002","90","","91.359","0.002","90","","31667","5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Ge9Si(SiMe3)3)Cu(Ge9Si(SiMe3)3)CuPPh3 2.5hex","","","- C29 H70.67 Cu0.67 Ge6 P0.33 Si8 -","- C29 H70.6667 Cu0.666667 Ge6 P0.333333 Si8 -","- C696 H1696 Cu16 Ge144 P8 Si192 -","24","3","","Li, Feng; Sevov, Slavi C.","Coordination of Tri-Substituted Nona-Germanium Clusters to Cu(I) and Pd(0).","Inorganic chemistry","2015","54","16","8121","8125","10.1021/acs.inorgchem.5b01371","","","0.71073","MoKα","","0.0647","0.044","","","0.0937","0.1054","","","","","","1.118","","","","has coordinates,has disorder","160497","2020-10-21","18:00:00",""
"4344048","9.9695","0.0013","12.7455","0.0016","14.6041","0.0019","90","","107.188","0.002","90","","1772.8","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ge6 H34 K6 O38 -","- Ge6 H34 K6 O38 -","- Ge12 H68 K12 O76 -","2","0.5","","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Vener, Mikhail V.; Tripol'skaya, Tatiana A.; Cohen, Shmuel; Lev, Ovadia; Prikhodchenko, Petr V.","Potassium, Cesium, and Ammonium Peroxogermanates with Inorganic Hexanuclear Peroxo Bridged Germanium Anion Isolated from Aqueous Solution.","Inorganic chemistry","2015","54","16","8058","8065","10.1021/acs.inorgchem.5b01293","","","0.71073","MoKα","","0.0181","0.0169","","","0.0421","0.0426","","","","","","1.068","","","","has coordinates,has disorder","160501","2020-10-21","18:00:00",""
"4344049","7.896","0.0008","10.2383","0.0011","10.4517","0.0011","90.296","0.001","97.123","0.001","90.829","0.001","838.3","0.15","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs4.2 Ge6 H29.2 N1.8 O32 -","- Cs4.2012 Ge6 H29.1952 N1.7988 O32 -","- Cs4.2012 Ge6 H29.1952 N1.7988 O32 -","1","0.5","","Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Vener, Mikhail V.; Tripol'skaya, Tatiana A.; Cohen, Shmuel; Lev, Ovadia; Prikhodchenko, Petr V.","Potassium, Cesium, and Ammonium Peroxogermanates with Inorganic Hexanuclear Peroxo Bridged Germanium Anion Isolated from Aqueous Solution.","Inorganic chemistry","2015","54","16","8058","8065","10.1021/acs.inorgchem.5b01293","","","0.71073","MoKα","","0.0202","0.0189","","","0.0459","0.0464","","","","","","1.151","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344050","8.6511","0.0006","13.3092","0.0009","23.6366","0.0014","90","","90","","90","","2721.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl3 N5 O4 Rh -","- C29 H23 Cl3 N5 O4 Rh -","- C116 H92 Cl12 N20 O16 Rh4 -","4","1","","Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric","Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.","Inorganic chemistry","2015","54","16","8111","8120","10.1021/acs.inorgchem.5b01349","","","0.71073","MoKα","","0.0508","0.0358","","","0.0646","0.0686","","","","","","1.012","","","","has coordinates","160504","2020-10-21","18:00:00",""
"4344051","8.6398","0.001","13.3545","0.0014","23.619","0.003","90","","90","","90","","2725.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl3 N5 O4 Rh -","- C29 H23 Cl3 N5 O4 Rh -","- C116 H92 Cl12 N20 O16 Rh4 -","4","1","","Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric","Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.","Inorganic chemistry","2015","54","16","8111","8120","10.1021/acs.inorgchem.5b01349","","","0.71073","MoKα","","0.0359","0.0286","","","0.0557","0.0579","","","","","","1.035","","","","has coordinates","160504","2020-10-21","18:00:00",""
"4344052","20.6029","0.0007","22.8353","0.0008","27.8886","0.001","87.2566","0.0017","78.5725","0.0015","84.3548","0.0016","12793","0.8","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)","catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)","","- C25 H38 B N6 O S3 Tl -","- C25 H38 B N6 O S3 Tl -","- C400 H608 B16 N96 O16 S48 Tl16 -","16","8","","Tüchler, Michael; Belaj, Ferdinand; Raber, Georg; Neshchadin, Dmytro; Mösch-Zanetti, Nadia C","Photoinduced Reactivity of the Soft Hydrotris(6-tert-butyl-3-thiopyridazinyl)borate Scorpionate Ligand in Sodium, Potassium, and Thallium Salts.","Inorganic chemistry","2015","54","17","8168","8170","10.1021/acs.inorgchem.5b01417","","","0.71073","MoKα","","0.0688","0.0512","","","0.1263","0.1392","","","","","","1.024","","","","has coordinates,has disorder","160514","2020-10-21","18:00:00",""
"4344053","9.8117","0.0014","9.8117","0.0014","19.286","0.006","90","","90","","120","","1607.9","0.6","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ba3 Cl La6 N29 O2 Si17 -","- Ba3 Cl La6 N29 O2 Si17 -","- Ba6 Cl2 La12 N58 O4 Si34 -","2","0.166667","","Durach, Dajana; Fahrnbauer, Felix; Oeckler, Oliver; Schnick, Wolfgang","La6Ba3[Si17N29O2]Cl-An Oxonitridosilicate Chloride with Exceptional Structural Motifs.","Inorganic chemistry","2015","54","17","8727","8732","10.1021/acs.inorgchem.5b01368","","","0.3351","","","0.0171","0.0169","","","0.0396","0.0397","","","","","","1.302","","","","has coordinates","160508","2020-10-21","18:00:00",""
"4344054","15.5187","0.0019","6.9647","0.0009","7.0685","0.0009","90","","97.715","0.014","90","","757.07","0.17","120","2","120.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Fe N8 Ni -","- C14 H12 Fe N8 Ni -","- C28 H24 Fe2 N16 Ni2 -","2","0.25","","Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.","Inorganic chemistry","2015","54","17","8711","8716","10.1021/acs.inorgchem.5b01341","","","1.54178","CuKα","","0.0474","0.0461","","","0.1246","0.1264","","","","","","1.074","","","","has coordinates","160523","2020-10-21","18:00:00",""
"4344055","15.8713","0.0016","7.2488","0.0005","7.2169","0.0006","90","","103.731","0.011","90","","806.56","0.13","220","2","220.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Fe N8 Ni -","- C14 H12 Fe N8 Ni -","- C28 H24 Fe2 N16 Ni2 -","2","0.25","","Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang","Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.","Inorganic chemistry","2015","54","17","8711","8716","10.1021/acs.inorgchem.5b01341","","","1.54178","CuKα","","0.0657","0.0559","","","0.1384","0.1503","","","","","","1.094","","","","has coordinates","160523","2020-10-21","18:00:00",""
"4344056","4.9018","0.0004","7.8237","0.0005","8.4457","0.0005","90","","90","","90","","323.89","0.04","296","2","296","2","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Au0.46 Eu In1.53 -","- Au0.464 Eu In1.536 -","- Au1.856 Eu4 In6.144 -","4","0.25","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0527","0.0345","","","0.0689","0.0766","","","","","","1.042","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344057","7.1612","0.0007","7.1612","0.0007","5.5268","0.0007","90","","90","","90","","283.43","0.05","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au4.75 Eu In1.25 -","- Au4.75 Eu In1.25 -","- Au9.5 Eu2 In2.5 -","2","0.0625","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0347","0.0262","","","0.0494","0.0511","","","","","","1.105","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344058","7.1727","0.0014","7.1727","0.0014","5.4564","0.0011","90","","90","","90","","280.72","0.1","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au4.93 Eu In1.07 -","- Au4.93 Eu In1.07 -","- Au9.86 Eu2 In2.14 -","2","0.0625","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0282","0.0204","","","0.0412","0.0432","","","","","","1.042","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344059","7.248","0.007","7.248","0.007","5.507","0.005","90","","90","","90","","289.3","0.5","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au5.03 Eu In0.98 -","- Au5.022 Eu In0.978 -","- Au10.044 Eu2 In1.956 -","2","0.0625","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.026","0.0249","","","0.0538","0.054","","","","","","1.113","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344060","7.2283","0.0004","9.0499","0.0006","34.619","0.002","90","","90","","90","","2264.6","0.2","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au17.29 Eu5 In4.71 -","- Au17.288 Eu5 In4.712 -","- Au69.152 Eu20 In18.848 -","4","0.25","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0858","0.0436","","","0.075","0.0896","","","","","","1.013","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344061","8.411","0.005","8.411","0.005","21.83","0.013","90","","90","","120","","1337.5","1.4","299","2","299","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.15 Eu2 Ga2.86 -","- Au6.147 Eu2 Ga2.853 -","- Au36.882 Eu12 Ga17.118 -","6","0.166667","","Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena","From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure.","Inorganic chemistry","2015","54","17","8187","8196","10.1021/acs.inorgchem.5b00257","","","0.71073","MoKα","","0.0529","0.0343","","","0.0757","0.0836","","","","","","0.975","","","","has coordinates,has disorder","160518","2020-10-21","18:00:00",""
"4344062","23.311","0.002","17.1328","0.0019","18.565","0.002","90","","98.481","0.005","90","","7333.5","1.3","100","1","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ru2(chp)4(THF)*2.4THF","","","- C33.41 H38.83 Cl4 N4 O7.35 Ru2 -","- C33.412 H38.824 Cl4 N4 O7.353 Ru2 -","- C267.296 H310.592 Cl32 N32 O58.824 Ru16 -","8","1","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","1.54178","CuKα","","0.0295","0.0273","","","0.0644","0.0659","","","","","","1.045","","","","has coordinates,has disorder","160520","2020-10-21","18:00:00",""
"4344063","9.5005","0.0014","32.007","0.003","13.4954","0.0011","90","","99.49","0.005","90","","4047.6","0.8","100","1","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Ru2(chp)4(PPh3)*THF","","- C42 H35 Cl4 N4 O5 P Ru2 -","- C42 H35 Cl4 N4 O5 P Ru2 -","- C168 H140 Cl16 N16 O20 P4 Ru8 -","4","1","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","1.54178","CuKα","","0.0279","0.0221","","","0.0476","0.0498","","","","","","1.03","","","","has coordinates,has disorder","160520","2020-10-21","18:00:00",""
"4344064","9.314","0.002","9.601","0.003","22.177","0.006","82.934","0.009","79.593","0.013","87.23","0.007","1935","0.9","100","0.01","99.99","","","","","","","","","7","P -1","-P 1","2","Ru2(chp)4(PPh3)0.5toluene","","","- C41.5 H31 Cl4 N4 O4 P Ru2 -","- C41.5 H31 Cl4 N4 O4 P Ru2 -","- C83 H62 Cl8 N8 O8 P2 Ru4 -","2","1","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","0.71073","MoKα","","0.038","0.0353","","","0.0846","0.086","","","","","","1.047","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344065","16.5485","0.0005","12.1926","0.0004","13.7919","0.0004","90","","107.84","0.001","90","","2648.97","0.14","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 Cl4 N5 O4 Ru2 -","- C25 H17 Cl4 N5 O4 Ru2 -","- C100 H68 Cl16 N20 O16 Ru8 -","4","0.5","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","0.71073","MoKα","","0.0231","0.0213","","","0.0534","0.0544","","","","","","1.099","","","","has coordinates","160520","2020-10-21","18:00:00",""
"4344066","9.404","0.003","9.486","0.003","16.4","0.004","74.106","0.009","86.577","0.016","78.911","0.009","1380.7","0.7","100","1","99.99","","","","","","","","","6","P -1","-P 1","2","Ru2(chp)4(MeCN).93(Cl).7*MeCN","","","- C23.87 H17.8 Cl4.07 N5.93 O4 Ru2 -","- C23.87 H17.805 Cl4.066 N5.935 O4 Ru2 -","- C47.74 H35.61 Cl8.132 N11.87 O8 Ru4 -","2","1","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","0.71073","MoKα","","0.0285","0.0232","","","0.0549","0.0578","","","","","","1.04","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344067","14.665","0.016","22.8","0.02","18.894","0.018","90","","103.8","0.03","90","","6135","10","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ru2(chp)4]2(ZnCl2)*1.33(CH2Cl2)","","","- C41.33 H26.66 Cl12.66 N8 O8 Ru4 Zn -","- C41.331 H26.662 Cl12.662 N8 O8 Ru4 Zn -","- C165.324 H106.648 Cl50.648 N32 O32 Ru16 Zn4 -","4","1","","Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.","Inorganic chemistry","2015","54","17","8571","8589","10.1021/acs.inorgchem.5b01241","","x-ray","0.71073","MoKα","","0.0934","0.0516","","","0.1053","0.1169","","","","","","0.971","","","","has coordinates,has disorder","160520","2020-10-21","18:00:00",""
"4344068","8.8548","0.0006","8.8548","0.0006","4.2696","0.0006","90","","90","","120","","289.92","0.05","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ba In9 Ir2 -","- Ba In9 Ir2 -","- Ba In9 Ir2 -","1","0.0416667","","Calta, Nicholas P.; Han, Fei; Kanatzidis, Mercouri G.","Synthesis, Structure, and Rigid Unit Mode-like Anisotropic Thermal Expansion of BaIr2In9.","Inorganic chemistry","2015","54","17","8794","8799","10.1021/acs.inorgchem.5b01421","","","0.71073","MoKα","","0.0236","0.0236","","","0.0569","0.0569","","","","","","1.473","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344069","10.886","0.0008","24.2337","0.0019","18.0401","0.0014","90","","90.158","0.002","90","","4759.1","0.6","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br Fe N4 -","- C54 H68 Br Fe N4 -","- C216 H272 Br4 Fe4 N16 -","4","2","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1104","0.0542","","","0.0951","0.1101","","","","","","1.003","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344070","10.4572","0.0007","23.2863","0.0015","17.1202","0.0012","90","","97.585","0.002","90","","4132.5","0.5","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Br Fe N4 -","- C46 H60 Br Fe N4 -","- C184 H240 Br4 Fe4 N16 -","4","1","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1107","0.0549","","","0.1148","0.1335","","","","","","1.014","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344071","18.7708","0.0015","16.9182","0.0014","26.489","0.002","90","","106.177","0.001","90","","8079","1.1","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H80 B F24 Fe N4 -","- C86 H80 B F24 Fe N4 -","- C344 H320 B4 F96 Fe4 N16 -","4","2","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.177","0.0728","","","0.1781","0.2307","","","","","","0.993","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344072","12.52","0.002","15.717","0.003","19.186","0.003","79.488","0.003","84.243","0.003","89.168","0.003","3693.2","1.1","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H72 B F24 Fe N4 -","- C78 H72 B F24 Fe N4 -","- C156 H144 B2 F48 Fe2 N8 -","2","1","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1543","0.092","","","0.2481","0.2852","","","","","","0.957","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344073","13.0956","0.0015","18.1551","0.0019","13.6087","0.0015","90","","91.873","0.002","90","","3233.8","0.6","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H90 B Fe N4 O2 -","- C74 H90 B Fe N4 O2 -","- C148 H180 B2 Fe2 N8 O4 -","2","1","","Ouyang, Zhenwu; Du, Jingzhen; Wang, Lei; Kneebone, Jared L.; Neidig, Michael L.; Deng, Liang","Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.","Inorganic chemistry","2015","54","17","8808","8816","10.1021/acs.inorgchem.5b01522","","","0.71073","MoKα","","0.1497","0.0727","","","0.1173","0.1427","","","","","","0.993","","","","has coordinates","160510","2020-10-21","18:00:00",""
"4344074","6.6354","0.0002","6.6791","0.0002","9.6987","0.0003","98.324","0.002","93.624","0.002","112.31","0.002","390.17","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ca4 K2 O16 Si4 U -","- Ca4 K2 O16 Si4 U -","- Ca4 K2 O16 Si4 U -","1","0.5","","Liu, Chia-Lin; Liu, Hsin-Kuan; Chang, Wen-Jung; Lii, Kwang-Hwa","K2Ca4[(UO2)(Si2O7)2]: A Uranyl Silicate with a One-Dimensional Chain Structure.","Inorganic chemistry","2015","54","17","8165","8167","10.1021/acs.inorgchem.5b01390","","","0.71073","MoKα","","0.0133","0.0133","","","0.0314","0.0314","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344075","6.6349","0.0007","16.3268","0.0017","17.535","0.002","80.936","0.008","79.278","0.006","89.922","0.006","1842.3","0.3","100","2","100.15","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Mn N3 O4.5 -","- C18 H17 Mn N3 O4.5 -","- C72 H68 Mn4 N12 O18 -","4","2","","Machan, Charles W.; Stanton, 3rd, Charles J; Vandezande, Jonathon E.; Majetich, George F.; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Agarwal, Jay","Electrocatalytic Reduction of Carbon Dioxide by Mn(CN)(2,2'-bipyridine)(CO)3: CN Coordination Alters Mechanism.","Inorganic chemistry","2015","54","17","8849","8856","10.1021/acs.inorgchem.5b01715","","x-ray","0.71073","MoKα","","0.0501","0.042","","","0.0939","0.098","","","","","","1.028","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344076","12.744","0.007","17.947","0.009","15.012","0.007","90","","104.641","0.008","90","","3322","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cd N6 O11 Ru -","- C34 H26 Cd N6 O11 Ru -","- C136 H104 Cd4 N24 O44 Ru4 -","4","1","","Zhang, Shuquan; Li, Lina; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","Construction of Interpenetrated Ruthenium Metal-Organic Frameworks as Stable Photocatalysts for CO2 Reduction.","Inorganic chemistry","2015","54","17","8375","8379","10.1021/acs.inorgchem.5b01045","","","0.71073","MoKα","","0.0887","0.0566","","","0.1402","0.1771","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344077","19.0962","0.0006","19.0962","0.0006","12.0683","0.0003","90","","90","","120","","3811.28","0.19","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C38 H26 Cd1.5 N7 O12 Ru -","- C38.01 Cd1.5 N7 O12 Ru -","- C76.02 Cd3 N14 O24 Ru2 -","2","0.0833333","","Zhang, Shuquan; Li, Lina; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","Construction of Interpenetrated Ruthenium Metal-Organic Frameworks as Stable Photocatalysts for CO2 Reduction.","Inorganic chemistry","2015","54","17","8375","8379","10.1021/acs.inorgchem.5b01045","","","1.54184","CuKα","","0.0835","0.0788","","","0.2479","0.2551","","","","","","1.064","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344078","8.3313","0.0004","8.3316","0.0004","8.3598","0.0004","70.606","0.003","99.558","0.003","120.013","0.003","473.96","0.04","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Ba Co Fe0.667 O8 P2 -","- Ba Co Fe0.666667 O8 P2 -","- Ba3 Co3 Fe2 O24 P6 -","3","1.5","","Blazquez Alcover, Ignacio; Daviero-Minaud, Sylvie; David, Rénald; Filimonov, Dmitry; Huvé, Marielle; Attfield, J. Paul; Kabbour, Houria; Mentré, Olivier","Selective Metal Exsolution in BaFe2-yMy(PO4)2 (M = Co(2+), Ni(2+)) Solid Solutions.","Inorganic chemistry","2015","54","17","8733","8743","10.1021/acs.inorgchem.5b01360","","x-ray","0.71073","MoKα","","0.0832","0.0576","","","0.0505","0.0626","","","","3.82","3.82","3.93","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344079","29.2964","0.0008","29.3261","0.0005","41.6006","0.001","90","","100.084","0.002","90","","35189","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H134 Ge10 N20 O7 S72 Sb28 -","- C20 H120 Ge10 N20 S72 Sb28 -","- C160 H960 Ge80 N160 S576 Sb224 -","8","1","","Zhang, Bo; Feng, Mei-Ling; Cui, Hong-Hua; Du, Cheng-Feng; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying","Syntheses, Crystal Structures, Ion-Exchange, and Photocatalytic Properties of Two Amine-Directed Ge-Sb-S Compounds.","Inorganic chemistry","2015","54","17","8474","8481","10.1021/acs.inorgchem.5b01181","","","0.71073","MoKα","","0.1233","0.0905","","","0.1885","0.1991","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344080","9.7628","0.0003","15.759","0.0004","17.0313","0.0004","79.868","0.002","75.01","0.002","81.094","0.002","2475.14","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H51 Ge3 N3 O0.5 S15 Sb5 -","- C19 H51 Ge3 N3 O0.5 S15 Sb5 -","- C38 H102 Ge6 N6 O S30 Sb10 -","2","1","","Zhang, Bo; Feng, Mei-Ling; Cui, Hong-Hua; Du, Cheng-Feng; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying","Syntheses, Crystal Structures, Ion-Exchange, and Photocatalytic Properties of Two Amine-Directed Ge-Sb-S Compounds.","Inorganic chemistry","2015","54","17","8474","8481","10.1021/acs.inorgchem.5b01181","","","1.54178","CuKα","","0.0346","0.0299","","","0.0746","0.0782","","","","","","1.013","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344081","9.6088","0.0008","9.7439","0.0008","11.0648","0.0009","81.842","0.002","85.131","0.002","87.575","0.001","1021.3","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N2 O30 P4 U3 -","- C26 H18 N2 O30 P4 U3 -","- C26 H18 N2 O30 P4 U3 -","1","0.5","","Wu, Dai; Bai, Xiaojing; Tian, Hong-Rui; Yang, Weiting; Li, Zewen; Huang, Qing; Du, Shiyu; Sun, Zhong-Ming","Uranyl Carboxyphosphonates Derived from Hydrothermal in Situ Ligand Reaction: Syntheses, Structures, and Computational Investigations.","Inorganic chemistry","2015","54","17","8617","8624","10.1021/acs.inorgchem.5b01266","","","0.71073","MoKα","","0.0455","0.0344","","","0.0705","0.0754","","","","","","1.022","","","","has coordinates","160509","2020-10-21","18:00:00",""
"4344082","9.7561","0.0013","10.2852","0.0014","11.0465","0.0014","95.127","0.003","95.109","0.002","105.974","0.002","1053.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 N2 O15 P2 U2 -","- C13 H11 N2 O15 P2 U2 -","- C26 H22 N4 O30 P4 U4 -","2","1","","Wu, Dai; Bai, Xiaojing; Tian, Hong-Rui; Yang, Weiting; Li, Zewen; Huang, Qing; Du, Shiyu; Sun, Zhong-Ming","Uranyl Carboxyphosphonates Derived from Hydrothermal in Situ Ligand Reaction: Syntheses, Structures, and Computational Investigations.","Inorganic chemistry","2015","54","17","8617","8624","10.1021/acs.inorgchem.5b01266","","","0.71073","MoKα","","0.0603","0.0509","","","0.12","0.1236","","","","","","1.142","","","","has coordinates","160509","2020-10-21","18:00:00",""
"4344083","20.743","0.007","7.692","0.003","16.96","0.009","90","","124.476","0.005","90","","2230.8","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 O10 P2 -","- C8 H8 O10 P2 -","- C32 H32 O40 P8 -","4","0.5","","Wu, Dai; Bai, Xiaojing; Tian, Hong-Rui; Yang, Weiting; Li, Zewen; Huang, Qing; Du, Shiyu; Sun, Zhong-Ming","Uranyl Carboxyphosphonates Derived from Hydrothermal in Situ Ligand Reaction: Syntheses, Structures, and Computational Investigations.","Inorganic chemistry","2015","54","17","8617","8624","10.1021/acs.inorgchem.5b01266","","","0.71073","MoKα","","0.0564","0.0404","","","0.11","0.1156","","","","","","0.959","","","","has coordinates","160509","2020-10-21","18:00:00",""
"4344084","18.4439","0.0003","18.9673","0.0003","21.1699","0.0004","72.567","0.001","89.778","0.001","67.61","0.001","6481.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H105 F18 N9 O6 P9 Re3 -","- C132 H105 F18 N9 O6 P9 Re3 -","- C264 H210 F36 N18 O12 P18 Re6 -","2","1","","Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu","Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.","Inorganic chemistry","2015","54","17","8769","8777","10.1021/acs.inorgchem.5b01397","","","1.54186","CuKα","","0.0683","0.0559","","","0.1354","0.1443","","","","","","1.024","","","","has coordinates,has disorder","160517","2020-10-21","18:00:00",""
"4344085","29.0902","0.0005","29.0902","0.0005","14.1738","0.0003","90","","90","","120","","10387.5","0.3","173","2","173","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C114 H88 F18 N6 O6 P9 Re3 -","- C114 H90 F18 N6 O6 P9 Re3 -","- C342 H270 F54 N18 O18 P27 Re9 -","3","0.5","","Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu","Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.","Inorganic chemistry","2015","54","17","8769","8777","10.1021/acs.inorgchem.5b01397","","","1.54186","CuKα","","0.0944","0.0784","","","0.2252","0.2371","","","","","","1.04","","","","has coordinates,has disorder","160517","2020-10-21","18:00:00",""
"4344086","15.6641","0.0003","31.2541","0.0006","24.6261","0.0005","90","","92.462","0.001","90","","12045","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C125 H104 F18 N6 O8 P9 Re3 -","- C125 H104 F18 N6 O8 P9 Re3 -","- C500 H416 F72 N24 O32 P36 Re12 -","4","1","","Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu","Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.","Inorganic chemistry","2015","54","17","8769","8777","10.1021/acs.inorgchem.5b01397","","","1.54186","CuKα","","0.0875","0.0746","","","0.1372","0.1433","","","","","","1.037","","","","has coordinates,has disorder","160517","2020-10-21","18:00:00",""
"4344087","19.6709","0.0004","32.5748","0.0006","29.0674","0.0005","90","","104.398","0.001","90","","18040.7","0.6","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C186 H164 F24 N8 O12.5 P12 Re4 -","- C186 H164 F24 N8 O12.5 P12 Re4 -","- C744 H656 F96 N32 O50 P48 Re16 -","4","1","","Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu","Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.","Inorganic chemistry","2015","54","17","8769","8777","10.1021/acs.inorgchem.5b01397","","","1.54186","CuKα","","0.1767","0.0882","","","0.2348","0.2935","","","","","","0.942","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344088","26.812","0.002","26.812","0.002","26.812","0.002","90","","90","","90","","19275","2","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Gutov, Oleksii V.; Hevia, Miguel González; Escudero-Adán, Eduardo C; Shafir, Alexandr","Metal-Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks.","Inorganic chemistry","2015","54","17","8396","8400","10.1021/acs.inorgchem.5b01053","","","0.7107","MoKα","","0.0594","0.0401","","","0.1028","0.1152","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344089","25.7962","0.0008","19.0538","0.0005","18.0991","0.0005","90","","100.523","0.0015","90","","8746.4","0.4","100","2","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Ce4 Cs1.5 Na8.5 O97.5 Si2 W18 -","- C4 H6 Ce4 Cs1.5 Na8.5 O97.5 Si2 W18 -","- C16 H24 Ce16 Cs6 Na34 O390 Si8 W72 -","4","0.5","","Duval, Sylvain; Béghin, Sébastien; Falaise, Clément; Trivelli, Xavier; Rabu, Pierre; Loiseau, Thierry","Stabilization of Tetravalent 4f (Ce), 5d (Hf), or 5f (Th, U) Clusters by the [α-SiW9O34](10-) Polyoxometalate.","Inorganic chemistry","2015","54","17","8271","8280","10.1021/acs.inorgchem.5b00786","","","0.71073","MoKα","","0.0318","0.0271","","","0.0611","0.0633","","","","","","1.093","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344090","25.8519","0.0012","19.0881","0.0009","18.1113","0.0009","90","","100.472","0.003","90","","8788.4","0.7","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Cs3 Na7 O97.7 Si2 U4 W18 -","- C4 H6 Cs3 Na7 O97.7 Si2 U4 W18 -","- C16 H24 Cs12 Na28 O390.8 Si8 U16 W72 -","4","0.5","","Duval, Sylvain; Béghin, Sébastien; Falaise, Clément; Trivelli, Xavier; Rabu, Pierre; Loiseau, Thierry","Stabilization of Tetravalent 4f (Ce), 5d (Hf), or 5f (Th, U) Clusters by the [α-SiW9O34](10-) Polyoxometalate.","Inorganic chemistry","2015","54","17","8271","8280","10.1021/acs.inorgchem.5b00786","","","0.71073","MoKα","","0.0697","0.0512","","","0.1311","0.1447","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344091","8.4661","0.0007","9.6118","0.0007","17.5158","0.0014","74.482","0.003","82.535","0.004","76.797","0.003","1333.48","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl N2 P2 -","- C29 H29 Cl N2 P2 -","- C58 H58 Cl2 N4 P4 -","2","1","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.0337","0.0322","","0.0904","0.086","0.0904","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344092","11.9004","0.0007","13.5853","0.0007","35.912","0.002","90","","96.805","0.003","90","","5765","0.6","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cl6 N4 Ni2 P4 -","- C60 H62 Cl6 N4 Ni2 P4 -","- C240 H248 Cl24 N16 Ni8 P16 -","4","1","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.0728","0.0445","","0.094","0.0859","0.094","","","","","","0.9656","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344093","11.4847","0.0003","22.593","0.0006","24.5214","0.0006","90","","102.408","0.0012","90","","6214","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H74 F7 N4 Ni O2 P5 -","- C66 H74 F7 N4 Ni O2 P5 -","- C264 H296 F28 N16 Ni4 O8 P20 -","4","1","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.0517","0.0356","","0.0912","0.0825","0.0912","","","","","","0.9781","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344094","11.3748","0.0008","13.7889","0.001","17.609","0.0013","86.294","0.004","72.347","0.003","89.498","0.003","2626.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H67 B N2 Ni P4 -","- C59 H67 B N2 Ni P4 -","- C118 H134 B2 N4 Ni2 P8 -","2","1","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.038","0.0313","","0.0848","0.077","0.0848","","","","","","1.0184","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344095","12.0649","0.0006","15.9904","0.0008","21.2462","0.0011","102.169","0.003","101.766","0.002","100.942","0.002","3804.8","0.3","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C89 H79 B N2 Ni P4 -","- C89 H79 B N2 Ni P4 -","- C178 H158 B2 N4 Ni2 P8 -","2","2","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.073","0.0583","","0.1526","0.1435","0.1526","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344096","9.84","0.0005","10.02","0.0006","16.7632","0.0009","93.425","0.003","95.166","0.003","114.41","0.002","1490.35","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 Cl3 N2 Ni P2 -","- C29 H29 Cl3 N2 Ni P2 -","- C58 H58 Cl6 N4 Ni2 P4 -","2","1","","Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.","Inorganic chemistry","2015","54","17","8717","8726","10.1021/acs.inorgchem.5b01363","","","0.71073","MoKα","","0.0489","0.0336","","0.0792","0.0742","0.0792","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344097","8.4985","0.0001","15.2084","0.0001","18.599","0.0002","90","","90","","90","","2403.89","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Ge0 N0 O Sr -","- C24 H40 O Sr -","- C96 H160 O4 Sr4 -","4","1","","Blom, Burgert; Said, Amro; Szilvási, Tibor; Menezes, Prashanth W.; Tan, Gengwen; Baumgartner, Judith; Driess, Matthias","Alkaline-Earth-Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium from N-Heterocyclic Metallylenes.","Inorganic chemistry","2015","54","17","8840","8848","10.1021/acs.inorgchem.5b01643","","","1.54178","CuKα","","0.0217","0.0208","","","0.0561","0.0568","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344098","15.4379","0.0003","17.3811","0.0003","16.8583","0.0003","90","","113.311","0.002","90","","4154.29","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Ge0 N2 O0 Sr -","- C44 H66 N2 Sr -","- C176 H264 N8 Sr4 -","4","1","","Blom, Burgert; Said, Amro; Szilvási, Tibor; Menezes, Prashanth W.; Tan, Gengwen; Baumgartner, Judith; Driess, Matthias","Alkaline-Earth-Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium from N-Heterocyclic Metallylenes.","Inorganic chemistry","2015","54","17","8840","8848","10.1021/acs.inorgchem.5b01643","","","1.54184","CuKα","","0.0267","0.0248","","","0.0685","0.07","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344099","19.5728","0.0014","21.5363","0.0009","15.4426","0.0006","90","","90","","90","","6509.5","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H50 N2 Si Sr -","- C30 H50 N2 Si Sr -","- C240 H400 N16 Si8 Sr8 -","8","1","","Blom, Burgert; Said, Amro; Szilvási, Tibor; Menezes, Prashanth W.; Tan, Gengwen; Baumgartner, Judith; Driess, Matthias","Alkaline-Earth-Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium from N-Heterocyclic Metallylenes.","Inorganic chemistry","2015","54","17","8840","8848","10.1021/acs.inorgchem.5b01643","","","0.71073","MoKα","","0.1806","0.0997","","","0.23","0.288","","","","","","1.115","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344100","38.0279","0.0007","38.0279","0.0007","38.0279","0.0007","90","","90","","90","","54993","1.8","200","2","200","2","","","","","","","","8","F 2 3","F 2 2 3","196","","","","- C72 H84 Au4 Co2 N6 O18 P4 S4 -","- C72 H84 Au4 Co2 N6 O17.9998 P4 S4 -","- C1728 H2016 Au96 Co48 N144 O431.995 P96 S96 -","24","0.5","","Yoshinari, Nobuto; Li, Chan; Lee, Raeeun; Kuwamura, Naoto; Igashira-Kamiyama, Asako; Konno, Takumi","Chiral Scrambling and Independent Crystallization of d4, l4, and d2l2 Isomers of an Au(I)4Co(III)2 Hexanuclear Complex with Mixed Penicillaminate and Bis(diphenylphosphino)ethane.","Inorganic chemistry","2015","54","18","8881","8883","10.1021/acs.inorgchem.5b01549","","","0.71075","MoKα","","0.0558","0.0495","","","0.0862","0.088","","","","","","1.071","","","","has coordinates","160485","2020-10-21","18:00:00",""
"4344101","12.7047","0.0002","16.0904","0.0003","25.6365","0.0005","90.535","0.006","97.438","0.007","106.044","0.007","4988.6","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H84 Au4 Co2 N6 O27 P4 S4 -","- C72 H84 Au4 Co2 N6 O27 P4 S4 -","- C144 H168 Au8 Co4 N12 O54 P8 S8 -","2","1","","Yoshinari, Nobuto; Li, Chan; Lee, Raeeun; Kuwamura, Naoto; Igashira-Kamiyama, Asako; Konno, Takumi","Chiral Scrambling and Independent Crystallization of d4, l4, and d2l2 Isomers of an Au(I)4Co(III)2 Hexanuclear Complex with Mixed Penicillaminate and Bis(diphenylphosphino)ethane.","Inorganic chemistry","2015","54","18","8881","8883","10.1021/acs.inorgchem.5b01549","","","0.71075","MoKα","","0.1233","0.0766","","","0.1817","0.2063","","","","","","1.068","","","","has coordinates,has disorder","160485","2020-10-21","18:00:00",""
"4344102","19.5861","0.0009","19.5861","0.0009","76.34","0.004","90","","90","","120","","25362","2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C93 H125 B Fe N7 O6 V -","- C92.94 H124.95 B Fe N7 O6 V -","- C1115.28 H1499.4 B12 Fe12 N84 O72 V12 -","12","0.333333","","Ding, Mei; Rouzières, Mathieu; Losovyj, Yaroslav; Pink, Maren; Clérac, Rodolphe; Smith, Jeremy M.","Partial Nitrogen Atom Transfer: A New Synthetic Tool to Design Single-Molecule Magnets.","Inorganic chemistry","2015","54","18","9075","9080","10.1021/acs.inorgchem.5b01455","","","0.41328","synchrotron","","0.1907","0.1087","","","0.2986","0.3681","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344103","9.3316","0.0003","13.7733","0.0004","14.5539","0.0004","67.543","0.002","87.729","0.002","86.299","0.002","1724.88","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(5,10,15,20-tetraphenyl-21-oxyazuliporphyrinato)-palladium(ii)","","- C50 H31 N3 O Pd -","- C50 H31 N3 O Pd -","- C100 H62 N6 O2 Pd2 -","2","1","","Lash, Timothy D.; Colby, Denise A.; El-Beck, Jessica A; AbuSalim, Deyaa I.; Ferrence, Gregory M.","Preparation, Structural Characterization, Assessment of Potential Antiaromaticity and Metalation of 21-Oxyazuliporphyrins.","Inorganic chemistry","2015","54","18","9174","9187","10.1021/acs.inorgchem.5b01587","","","0.71073","MoKα","","0.0562","0.0383","","","0.0852","0.0928","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344104","10.0414","0.0013","12.5458","0.0016","32.369","0.004","90","","96.297","0.003","90","","4053.2","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-tetraphenyl-21-oxyazuliporphyrin","","- C51 H35 Cl2 N3 O -","- C50 H33 N3 O -","- C200 H132 N12 O4 -","4","1","","Lash, Timothy D.; Colby, Denise A.; El-Beck, Jessica A; AbuSalim, Deyaa I.; Ferrence, Gregory M.","Preparation, Structural Characterization, Assessment of Potential Antiaromaticity and Metalation of 21-Oxyazuliporphyrins.","Inorganic chemistry","2015","54","18","9174","9187","10.1021/acs.inorgchem.5b01587","","","0.71073","MoKα","","0.1046","0.0643","","","0.1709","0.1961","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344105","8.7764","0.0004","8.7764","0.0004","8.7764","0.0004","90","","90","","90","","676","0.05","293","","293","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Ca5 Ge6 Pd6 -","- Ca5 Ge6 Pd6 -","- Ca10 Ge12 Pd12 -","2","0.0208333","","Doverbratt, Isa; Ponou, Siméon; Wang, Fei; Lidin, Sven","Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.","Inorganic chemistry","2015","54","18","9098","9104","10.1021/acs.inorgchem.5b01528","","x-ray","0.7107","MoKα","","0.016","0.0158","","","0.0476","0.0478","","","","1.82","1.82","1.8","","","","has coordinates","160482","2020-10-21","18:00:00",""
"4344106","27.31","0.006","28.43","0.006","30.556","0.006","90","","90","","90","","23724","9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C200 H274 Cu6 Mn4 N16 O47 S6 -","- C200 H261 Cu6 Mn4 N16 O47 S6 -","- C800 H1044 Cu24 Mn16 N64 O188 S24 -","4","1","","Grancha, Thais; Mon, Marta; Lloret, Francesc; Ferrando-Soria, Jesús; Journaux, Yves; Pasán, Jorge; Pardo, Emilio","Double Interpenetration in a Chiral Three-Dimensional Magnet with a (10,3)-a Structure.","Inorganic chemistry","2015","54","18","8890","8892","10.1021/acs.inorgchem.5b01738","","","0.7389","","","0.1562","0.1503","","","0.3997","0.413","","","","","","1.987","","","","has coordinates","160484","2020-10-21","18:00:00",""
"4344110","4.1666","0.0004","24.982","0.002","4.1557","0.0003","90","","90","","90","","432.57","0.06","293","","293","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Fe2 Ge7 U3 -","- Fe2 Ge7 U3 -","- Fe4 Ge14 U6 -","2","0.125","","Henriques, Margarida S.; Gorbunov, Denis I.; Waerenborgh, João C; Pasturel, Mathieu; Andreev, Alexander V.; Dušek, Michal; Skourski, Yurii; Havela, Ladislav; Gonçalves, António P","Synthesis and Structural/Physical Properties of U3Fe2Ge7: A Single-Crystal Study.","Inorganic chemistry","2015","54","19","9646","9655","10.1021/acs.inorgchem.5b01736","","x-ray","0.71073","MoKα","","0.0416","0.0379","","","0.1106","0.1123","","","","1.79","1.79","1.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344148","15.4077","0.0006","15.4077","0.0006","15.3877","0.0007","90","","90","","90","","3653","0.3","200","2","200","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C44 H8 F20 N4 Ni -","- C44 H8 F20 N4 Ni -","- C176 H32 F80 N16 Ni4 -","4","0.25","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","","0.71073","MoKα","","0.0291","0.0278","","","0.0689","0.0698","","","","","","1.042","","","","has coordinates","170062","2020-10-21","18:00:00",""
"4344149","9.624","0.0003","12.9847","0.0004","13.0914","0.0005","106.463","0.003","101.692","0.003","96.436","0.003","1511.1","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H33 F20 N9 Ni -","- C54 H18 F20 N6 Ni -","- C54 H18 F20 N6 Ni -","1","0.5","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","","0.71073","MoKα","","0.0403","0.0361","","","0.1052","0.1073","","","","","","1.052","","","","has coordinates","170062","2020-10-21","18:00:00",""
"4344150","15.1307","0.0008","13.1247","0.0004","27.8511","0.0013","90","","108.18","0.004","90","","5254.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H15 F20 N5 Ni -","- C47 H15 F20 N5 Ni -","- C188 H60 F80 N20 Ni4 -","4","1","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","","0.71073","MoKα","","0.1295","0.0959","","","0.2516","0.2742","","","","","","1.05","","","","has coordinates,has disorder","170062","2020-10-21","18:00:00",""
"4344151","20.4208","0.0003","16.22196","0.00018","26.4999","0.0004","90","","94.1895","0.0013","90","","8755","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C196 H103 F60 N26 Ni3 -","- C196 H103 F60 N26 Ni3 -","- C392 H206 F120 N52 Ni6 -","2","0.5","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","x-ray","1.54184","CuKα","","0.0947","0.0813","","","0.226","0.2389","","","","","","1.068","","","","has coordinates,has disorder","170062","2020-10-21","18:00:00",""
"4344152","13.8902","0.0006","14.1867","0.0006","24.5324","0.0011","78.967","0.004","88.714","0.004","73.607","0.003","4549.5","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H32 F20 N8 Ni -","- C60 H32 F20 N8 Ni -","- C180 H96 F60 N24 Ni3 -","3","1.5","","Dommaschk, Marcel; Thoms, Vanessa; Schütt, Christian; Näther, Christian; Puttreddy, Rakesh; Rissanen, Kari; Herges, Rainer","Coordination-Induced Spin-State Switching with Nickel Chlorin and Nickel Isobacteriochlorin.","Inorganic chemistry","2015","54","19","9390","9392","10.1021/acs.inorgchem.5b01756","","","0.71073","MoKα","","0.1263","0.0664","","","0.1432","0.1663","","","","","","0.939","","","","has coordinates,has disorder","170062","2020-10-21","18:00:00",""
"4344171","8.442","0.003","10.174","0.002","10.579","0.003","90","","94.13","0.03","90","","906.3","0.5","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethyl-thieno[2,3-d][1,3]dithiole-2-thione","","","- C7 H6 S4 -","- C7 H6 S4 -","- C28 H24 S16 -","4","1","","Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc","A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.","Inorganic chemistry","2015","54","20","9908","9913","10.1021/acs.inorgchem.5b01678","","","0.71069","MoKα","","","0.0606","","","","0.2189","","","","","","0.848","","","","has coordinates","170055","2020-10-21","18:00:00",""
"4344172","9.6042","0.0003","10.2419","0.0004","10.597","0.0004","90","","102.974","0.005","90","","1015.77","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methyl-6-ethyl-thieno[2,3-d][1,3]dithiole-2-thione","","","- C8 H8 S4 -","- C8 H8 S4 -","- C32 H32 S16 -","4","1","","Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc","A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.","Inorganic chemistry","2015","54","20","9908","9913","10.1021/acs.inorgchem.5b01678","","","0.71073","MoKα","","0.0389","0.0262","","","0.0651","0.0747","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344173","10.6373","0.0005","11.9558","0.0019","14.8591","0.0006","101.782","0.0016","97.6679","0.0013","104.631","0.0012","1755.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Tetraphenylphosphonium bis(4,5-dimethylthiophene-2,3-dithiolate)gold","","","- C36 H32 Au P S6 -","- C36 H32 Au P S6 -","- C72 H64 Au2 P2 S12 -","2","1","","Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc","A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.","Inorganic chemistry","2015","54","20","9908","9913","10.1021/acs.inorgchem.5b01678","","","0.71073","MoKα","","0.1056","0.0635","","","0.14","0.1523","","","","","","1.219","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344174","12.437","0.004","13.143","0.006","13.355","0.006","62.31","0.03","75.7","0.03","76.48","0.03","1855","1.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Au P S6 -","- C38 H36 Au P S6 -","- C76 H72 Au2 P2 S12 -","2","1","","Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc","A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.","Inorganic chemistry","2015","54","20","9908","9913","10.1021/acs.inorgchem.5b01678","","","0.71069","MoKα","","","0.0459","","","","0.1261","","","","","","1.054","","","","has coordinates","170055","2020-10-21","18:00:00",""
"4344175","6.08222","0.00017","7.4498","0.0002","10.5245","0.0003","96.6635","0.0018","97.3421","0.0019","109.17","0.0017","440.34","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","bis(4-ethyl-5-methylthiophene-2,3-dithiolate)gold","","","- C14 H16 Au S6 -","- C14 H16 Au S6 -","- C14 H16 Au S6 -","1","0.5","","Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc","A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.","Inorganic chemistry","2015","54","20","9908","9913","10.1021/acs.inorgchem.5b01678","","","1.54187","CuKα","","","0.0716","","","","0.1973","","","","","","1.105","","","","has coordinates","170055","2020-10-21","18:00:00",""
"4344224","13.145","0.002","14.789","0.003","16.778","0.003","79.209","0.002","85.456","0.002","70.708","0.002","3023.5","0.9","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C120.36 H104.72 Cl0.72 F12 O12 P8 Pd4 S8 -","- C120.362 H104.724 Cl0.724 F12 O12 P8 Pd4 S8 -","- C120.362 H104.724 Cl0.724 F12 O12 P8 Pd4 S8 -","1","0.5","","Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K.","Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction.","Inorganic chemistry","2015","54","21","10153","10162","10.1021/acs.inorgchem.5b00806","","","0.71073","MoKα","","0.0338","0.027","","","0.06","0.0639","","","","","","1.045","","","","has coordinates","170056","2020-10-21","18:00:00",""
"4344225","14.619","0.003","14.797","0.003","18.15","0.003","92.291","0.002","113.233","0.002","91.287","0.002","3601.8","1.2","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C132 H112 F12 O12 P8 Pd4 S8 -","- C132 H112 F12 O12 P8 Pd4 S8 -","- C132 H112 F12 O12 P8 Pd4 S8 -","1","0.5","","Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K.","Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction.","Inorganic chemistry","2015","54","21","10153","10162","10.1021/acs.inorgchem.5b00806","","","0.71073","MoKα","","0.0579","0.0466","","","0.1257","0.1359","","","","","","1.027","","","","has coordinates,has disorder","170056","2020-10-21","18:00:00",""
"4344226","17.2155","0.0016","21.975","0.002","22.457","0.002","61.808","0.001","71.33","0.001","68.64","0.001","6859.2","1.1","110.15","","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C250 H236 F12 O14 P16 Pd8 S12 -","- C250 H236 F12 O14 P16 Pd8 S12 -","- C250 H236 F12 O14 P16 Pd8 S12 -","1","0.5","","Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K.","Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction.","Inorganic chemistry","2015","54","21","10153","10162","10.1021/acs.inorgchem.5b00806","","","0.71073","MoKα","","0.0724","0.0533","","","0.1143","0.1256","","","","","","1.063","","","","has coordinates","170056","2020-10-21","18:00:00",""
"4344381","16.3701","0.0006","24.5812","0.0009","9.96","0.0004","90","","99.328","0.001","90","","3954.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H142 Mn8 N26 O60 -","- C148 H120 Mn8 N26 O60 -","- C148 H120 Mn8 N26 O60 -","1","0.125","","Escriche-Tur, Luis; Corbella, Montserrat; Font-Bardia, Mercè; Castro, Isabel; Bonneviot, Laurent; Albela, Belén","Biomimetic Mn-Catalases Based on Dimeric Manganese Complexes in Mesoporous Silica for Potential Antioxidant Agent.","Inorganic chemistry","2015","54","21","10111","10125","10.1021/acs.inorgchem.5b01425","","","0.71073","MoKα","","0.052","0.0507","","","0.1515","0.1525","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344382","17.826","0.007","21.265","0.007","10.759","0.004","90","","95.717","0.014","90","","4058","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 Cl2 Mn2 N5 O16 -","- C38 H32 Cl2 Mn2 N5 O16 -","- C152 H128 Cl8 Mn8 N20 O64 -","4","1","","Escriche-Tur, Luis; Corbella, Montserrat; Font-Bardia, Mercè; Castro, Isabel; Bonneviot, Laurent; Albela, Belén","Biomimetic Mn-Catalases Based on Dimeric Manganese Complexes in Mesoporous Silica for Potential Antioxidant Agent.","Inorganic chemistry","2015","54","21","10111","10125","10.1021/acs.inorgchem.5b01425","","","0.71073","MoKα","","0.0914","0.0352","","","0.0768","0.0966","","","","","","0.824","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344389","8.073","0.0005","18.1966","0.0012","17.9681","0.0012","90","","95.794","0.002","90","","2626","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cr2 N4 O24 Pr2 -","- C44 H60 Cr2 N4 O24 Pr2 -","- C88 H120 Cr4 N8 O48 Pr4 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0703","0.0563","","","0.1365","0.1493","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344390","7.9552","0.0003","17.2589","0.0006","17.3417","0.0006","90","","92.219","0.001","90","","2379.2","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cr2 Gd2 N4 O20 -","- C40 H48 Cr2 Gd2 N4 O20 -","- C80 H96 Cr4 Gd4 N8 O40 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0683","0.0432","","","0.1","0.1132","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344391","8.0857","0.0004","18.23","0.0008","17.9242","0.0009","90","","95.752","0.001","90","","2628.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cr2 N4 Nd2 O24 -","- C44 H60 Cr2 N4 Nd2 O24 -","- C88 H120 Cr4 N8 Nd4 O48 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0758","0.059","","","0.1476","0.1615","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344392","7.9823","0.0006","17.2497","0.0012","17.3295","0.0013","90","","92.336","0.003","90","","2384.2","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cr2 Ho2 N4 O20 -","- C40 H48 Cr2 Ho2 N4 O20 -","- C80 H96 Cr4 Ho4 N8 O40 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0425","0.0313","","","0.0747","0.0816","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344393","7.9196","0.0004","17.3124","0.0008","17.4215","0.0009","90","","92.174","0.002","90","","2386.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cr2 N4 O20 Tb2 -","- C40 H48 Cr2 N4 O20 Tb2 -","- C80 H96 Cr4 N8 O40 Tb4 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0631","0.0406","","","0.0934","0.1027","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344394","12.6681","0.0004","11.6507","0.0004","19.8972","0.0006","90","","104.224","0.002","90","","2846.64","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cr2 Er2 N4 O22 -","- C44 H60 Cr2 Er2 N4 O22 -","- C88 H120 Cr4 Er4 N8 O44 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.","Inorganic chemistry","2015","54","21","10497","10503","10.1021/acs.inorgchem.5b01999","","","0.71073","MoKα","","0.0505","0.0372","","","0.09","0.0975","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344395","16.8643","0.0008","14.518","0.0007","17.9633","0.001","90","","96.497","0.003","90","","4369.8","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 Cl N3 P3 Ti -","- C42 H69 Cl N3 P3 Ti -","- C168 H276 Cl4 N12 P12 Ti4 -","4","1","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0433","0.0321","","0.0865","0.075","0.0865","","","","","","1.0306","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344396","17.9767","0.0014","19.8816","0.0015","15.0906","0.001","90","","96.866","0.003","90","","5354.8","0.7","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H79 Cl Co I N3 O P3 Ti -","- C46 H79 Cl Co I N3 O P3 Ti -","- C184 H316 Cl4 Co4 I4 N12 O4 P12 Ti4 -","4","1","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0368","0.0257","","0.0628","0.0569","0.0628","","","","","","0.9887","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344397","14.3305","0.0004","15.8386","0.0005","40.4713","0.0012","90","","90","","90","","9186","0.5","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Co I N3 P3 Ti -","- C42 H69 Co I N3 P3 Ti -","- C336 H552 Co8 I8 N24 P24 Ti8 -","8","2","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0582","0.0415","","0.091","0.0862","0.091","","","","","","0.9695","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344398","12.576","0.0003","19.1361","0.0005","23.333","0.0005","104.592","0.0012","91.5782","0.0012","93.0024","0.0012","5421.8","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H87 Co N5 O2 P3 Ti -","- C50 H87 Co N5 O2 P3 Ti -","- C200 H348 Co4 N20 O8 P12 Ti4 -","4","2","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0569","0.0373","","0.0926","0.0837","0.0926","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344399","10.2861","0.0007","22.3494","0.0015","23.014","0.0016","114.859","0.003","95.714","0.004","96.367","0.004","4707.7","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H77 Co N3 O P3 Ti -","- C46 H77 Co N3 O P3 Ti -","- C184 H308 Co4 N12 O4 P12 Ti4 -","4","2","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0691","0.0382","","0.0926","0.0803","0.0926","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344400","10.8726","0.0004","11.7445","0.0004","18.6225","0.0006","91.1046","0.0018","105.349","0.0017","96.8835","0.0018","2273.38","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Co N6 P3 Ti -","- C42 H72 Co N6 P3 Ti -","- C84 H144 Co2 N12 P6 Ti2 -","2","1","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.047","0.0333","","0.0912","0.0812","0.0912","","","","","","1.0057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344401","10.8002","0.0005","12.0096","0.0005","18.9465","0.0008","89.66","0.003","77.718","0.003","79.127","0.002","2356.63","0.18","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H74 Co N6 P3 Ti -","- C43 H74 Co N6 P3 Ti -","- C86 H148 Co2 N12 P6 Ti2 -","2","1","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0652","0.0506","","0.1442","0.1314","0.1442","","","","","","0.9886","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344402","13.3722","0.0003","17.4691","0.0004","46.0249","0.001","90","","95.409","0.0015","90","","10703.6","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Co N6 P3 Ti -","- C54 H79 Co N6 P3 Ti -","- C432 H632 Co8 N48 P24 Ti8 -","8","2","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0995","0.0518","","0.1229","0.1063","0.1229","","","","","","1.0003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344403","16.098","0.0003","10.1139","0.0003","17.2996","0.0005","90","","93.19","0.002","90","","2812.25","0.13","173","1","173","1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","england6","","","- C23 H14 Au F17 N4 P2 -","- C23 H14 Au F17 N4 P2 -","- C92 H56 Au4 F68 N16 P8 -","4","1","","Gimeno, M Concepción; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena; Rodríguez-Castillo, María; Tena, María-Teresa; Day, David P.; Lawrence, Elliot J.; Wildgoose, Gregory G.","Synthesis, Photochemical, and Redox Properties of Gold(I) and Gold(III) Pincer Complexes Incorporating a 2,2':6',2″-Terpyridine Ligand Framework.","Inorganic chemistry","2015","54","22","10667","10677","10.1021/acs.inorgchem.5b01477","","x-ray","0.71073","MoKα","","0.033","0.0263","","","0.0651","0.0679","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344404","16.7588","0.0006","19.3765","0.0007","19.1641","0.0008","90","","97.964","0.003","90","","6163.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H124 Cl4 N38 Ni8 O3 -","- C114 H124 Cl4 N38 Ni8 O3 -","- C228 H248 Cl8 N76 Ni16 O6 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.0838","0.0531","","","0.136","0.1513","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344405","16.8181","0.0014","19.3731","0.0014","19.1713","0.0014","90","","97.69","","90","","6190.2","0.8","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H124 Br4 N38 Ni8 O3 -","- C114 H124 Br4 N38 Ni8 O3 -","- C228 H248 Br8 N76 Ni16 O6 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1939","0.0897","","","0.1993","0.2497","","","","","","0.981","","","","has coordinates","170790","2020-10-21","18:00:00",""
"4344406","17.0168","0.0007","19.4322","0.0008","19.2673","0.0011","90","","96.581","0.004","90","","6329.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H124 I4 N38 Ni8 O3 -","- C114 H124 I4 N38 Ni8 O3 -","- C228 H248 I8 N76 Ni16 O6 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1885","0.096","","","0.2401","0.2906","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344407","16.9226","0.0006","16.9277","0.0006","25.2944","0.0005","90","","108.91","","90","","6854.8","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H124 N42 Ni8 O3 S4 -","- C118 H124 N42 Ni8 O3 S4 -","- C236 H248 N84 Ni16 O6 S8 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.0835","0.0519","","","0.1236","0.1376","","","","","","1.008","","","","has coordinates","170790","2020-10-21","18:00:00",""
"4344408","16.9572","0.0006","19.5406","0.0006","18.9598","0.0008","90","","96.764","0.004","90","","6238.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H124 N42 Ni8 O11 -","- C114 H124 N42 Ni8 O11 -","- C228 H248 N84 Ni16 O22 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1428","0.0653","","","0.136","0.1759","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344409","17.2136","0.0006","19.5403","0.0007","19.0149","0.0007","90","","95.089","0.003","90","","6370.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H124 N42 Ni8 O15 -","- C114 H124 N42 Ni8 O15 -","- C228 H248 N84 Ni16 O30 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1104","0.0579","","","0.1301","0.1501","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344410","14.615","0.0006","15.747","0.0007","17.0646","0.0007","113.464","0.004","101.282","0.003","105.505","0.004","3262.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl2 N38 Ni8 O15 -","- C120 H134 Cl2 N38 Ni8 O15 -","- C120 H134 Cl2 N38 Ni8 O15 -","1","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1109","0.0652","","","0.1722","0.1929","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344411","29.8329","0.0005","15.4737","0.0002","28.7565","0.0005","90","","104.696","0.0018","90","","12840.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H110 N48 Ni8 O -","- C108 H110 N48 Ni8 O -","- C432 H440 N192 Ni32 O4 -","4","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","1.54184","CuKα","","0.0654","0.0488","","","0.1464","0.1609","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344412","17.1753","0.0012","23.1502","0.0011","21.235","0.0018","90","","113.247","0.009","90","","7757.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C116 H108 N48 Ni8 -","- C116 H108 N48 Ni8 -","- C232 H216 N96 Ni16 -","2","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1368","0.0686","","","0.1421","0.166","","","","","","0.884","","","","has coordinates","170790","2020-10-21","18:00:00",""
"4344413","15.1763","0.0005","15.1763","0.0005","47.0687","0.0007","90","","90","","120","","9388.5","0.5","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C116 H110 Cl2 N42 Ni8 O9 -","- C116 H110.04 Cl2 N42 Ni8 O9 -","- C348 H330.12 Cl6 N126 Ni24 O27 -","3","","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.1552","0.0919","","","0.2516","0.3006","","","","","","0.95","","","","has coordinates","170790","2020-10-21","18:00:00",""
"4344414","14.848","0.0005","16.6691","0.0005","17.8985","0.0006","113.538","0.003","106.753","0.003","102.118","0.003","3612.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H126 N42 Ni9 O7 S4 -","- C124 H126 N42 Ni9 O7 S4 -","- C124 H126 N42 Ni9 O7 S4 -","1","0.5","","Luo, Dong; Zhou, Xiao-Ping; Li, Dan","Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.","Inorganic chemistry","2015","54","22","10822","10828","10.1021/acs.inorgchem.5b01844","","","0.71073","MoKα","","0.0804","0.0533","","","0.1474","0.161","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344415","7.532","0.004","11.604","0.006","14.208","0.007","81.018","0.009","79.496","0.008","73.902","0.008","1165.8","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H22 Cl4 Cu F12 N4 O4 S4 -","- C38 H22 Cl4 Cu F12 N4 O4 S4 -","- C38 H22 Cl4 Cu F12 N4 O4 S4 -","1","0.5","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","","0.71073","MoKα","","0.093","0.0688","","","0.1935","0.2156","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344416","7.6741","0.0002","11.7196","0.0005","15.9558","0.0007","85.945","0.004","81.135","0.003","86.628","0.003","1412.66","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H23 Cl3 Co N2 O4 S2 -","- C24 H23 Cl3 Co N2 O4 S2 -","- C48 H46 Cl6 Co2 N4 O8 S4 -","2","1","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","1.54184","CuKα","","0.062","0.0456","","","0.1075","0.1186","","","","","","1.04","","","","has coordinates","170786","2020-10-21","18:00:00",""
"4344417","6.4766","0.0004","13.0615","0.0009","15.8126","0.0012","92.587","0.006","97.091","0.006","93.764","0.005","1322.64","0.16","99.95","0.18","99.95","0.18","","","","","","","","7","P -1","-P 1","2","","","","- C23 H10 F12 Mn N2 O4 S2 -","- C23 H10 F12 Mn N2 O4 S2 -","- C46 H20 F24 Mn2 N4 O8 S4 -","2","1","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","0.71073","MoKα","","0.0705","0.0467","","","0.0883","0.1036","","","","","","1.045","","","","has coordinates","170786","2020-10-21","18:00:00",""
"4344418","7.2429","0.0002","20.6964","0.0006","24.9676","0.0006","90","","91.705","0.002","90","","3741.04","0.17","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl3 Cu2 N3 O8.5 S2 -","- C24 H25 Cl3 Cu2 N3 O8.5 S2 -","- C96 H100 Cl12 Cu8 N12 O34 S8 -","4","1","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","1.54184","CuKα","","0.0839","0.0721","","","0.2107","0.2225","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344419","16.5175","0.0011","9.7287","0.0008","17.8499","0.0019","90","","116.325","0.007","90","","2570.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl12 Mn N6 S6 -","- C34 H28 Cl12 Mn N6 S6 -","- C68 H56 Cl24 Mn2 N12 S12 -","2","0.5","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","0.71073","MoKα","","0.2117","0.1629","","","0.4127","0.441","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344420","9.74106","0.00018","14.7395","0.0006","31.8411","0.0006","90","","90","","90","","4571.7","0.2","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 Cl Mn N5 S4 Se -","- C27 H16 Cl Mn N5 S4 Se -","- C108 H64 Cl4 Mn4 N20 S16 Se4 -","4","1","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","1.54184","CuKα","","0.1406","0.124","","","0.3181","0.3366","","","","","","1.253","","","","has coordinates","170786","2020-10-21","18:00:00",""
"4344421","15.8574","0.0005","19.3325","0.0011","25.2962","0.001","90","","102.694","0.004","90","","7565.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C115 H83 Cl14 Cu4 N19 O16 S16 -","- C115 H83 Cl14 Cu4 N19 O16 S16 -","- C230 H166 Cl28 Cu8 N38 O32 S32 -","2","0.5","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","0.71073","MoKα","","0.0987","0.0812","","","0.2388","0.2595","","","","","","1.115","","","","has coordinates","170786","2020-10-21","18:00:00",""
"4344422","8.6426","0.0003","11.7302","0.0003","13.6974","0.0005","90","","100.563","0.003","90","","1365.1","0.08","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(cyano-κC)[2-(isoquinolin-1-yl-κN)phenyl-κC^1^]gold(iii)","","- C17 H10 Au N3 -","- C17 H10 Au N3 -","- C68 H40 Au4 N12 -","4","1","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","0.71073","MoKα","","0.0282","0.0239","","","0.0546","0.057","","","","","","1.067","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344423","4.8031","0.0002","11.6531","0.0005","19.9543","0.0011","75.611","0.004","84.488","0.004","84.492","0.003","1073.81","0.09","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Bis(cyano-κC)[2-(3,5-diphenyl-1H-pyrrol-2-yl-κN)pyridinato-κN]gold(iii) diethyl ether solvate (2:1)","","- C50 H40 Au2 N8 O -","- C50 H40 Au2 N8 O -","- C50 H40 Au2 N8 O -","1","0.5","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","0.71073","MoKα","","0.0828","0.0632","","","0.1525","0.1576","","","","","","1.138","","","","has coordinates,has disorder","170791","2020-10-21","18:00:00",""
"4344424","4.9042","0.0001","25.6433","0.0004","9.6077","0.0002","90","","101.199","0.002","90","","1185.26","0.04","183.1","","183.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyano-κC)[5-methyl-2-(pyridin-2-yl-κN)thien-3-yl-κC^3^]gold(iii)","","- C12 H8 Au N3 S -","- C12 H8 Au N3 S -","- C48 H32 Au4 N12 S4 -","4","1","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","0.71073","MoKα","","0.0245","0.0222","","","0.0509","0.0517","","","","","","1.156","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344425","11.703","0.0003","7.1297","0.00014","32.3455","0.0007","90","","90","","90","","2698.87","0.1","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(cyano-κC)[2-(isoquinolin-1-yl-κN)phenyl-κC^1^]gold(iii)","","- C17 H10 Au N3 -","- C17 H10 Au N3 -","- C136 H80 Au8 N24 -","8","1","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","1.5418","CuKα","","0.036","0.031","","","0.0849","0.089","","","","","","1.137","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344426","9.1216","0.0003","7.4912","0.0002","16.6287","0.0006","90","","101.895","0.003","90","","1111.87","0.06","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(cyano-κC)[2-(pyridin-2-yl-κN)phenyl-κC^1^]gold(iii)","","- C13 H8 Au N3 -","- C13 H8 Au N3 -","- C52 H32 Au4 N12 -","4","1","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","0.71073","MoKα","","0.046","0.0279","","","0.0367","0.0384","","","","","","0.831","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344427","13.264","0.002","18.8066","0.0005","20.287","0.003","90","","147.07","0.04","90","","2751","3","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(cyano-κC)[2-(isoquinolin-1-yl-κN)phenyl-κC^1^]gold(iii)","","- C17 H10 Au N3 -","- C17 H10 Au N3 -","- C136 H80 Au8 N24 -","8","2","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","0.7107","MoKα","","0.0509","0.0335","","","0.075","0.0898","","","","","","1.085","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344428","52.13","0.018","8.757","0.002","26.681","0.009","90","","93.943","0.004","90","","12151","6","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H52 Cl5 F6 N6 O2 Os P -","- C63 H47 F6 N6 O2 Os P -","- C504 H376 F48 N48 O16 Os8 P8 -","8","2","","Shen, Jun-Jian; Shao, Jiang-Yang; Gong, Zhong-Liang; Zhong, Yu-Wu","Cyclometalated Osmium-Amine Electronic Communication through the p-Oligophenylene Wire.","Inorganic chemistry","2015","54","22","10776","10784","10.1021/acs.inorgchem.5b01828","","","0.71073","MoKα","","0.104","0.0885","","","0.1535","0.1598","","","","","","1.242","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344429","14.214","0.003","15.47","0.003","24.639","0.005","90","","99.784","0.002","90","","5339.1","1.9","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 F6 N6 O2 Os P -","- C57 H43 F6 N6 O2 Os P -","- C228 H172 F24 N24 O8 Os4 P4 -","4","1","","Shen, Jun-Jian; Shao, Jiang-Yang; Gong, Zhong-Liang; Zhong, Yu-Wu","Cyclometalated Osmium-Amine Electronic Communication through the p-Oligophenylene Wire.","Inorganic chemistry","2015","54","22","10776","10784","10.1021/acs.inorgchem.5b01828","","","0.71073","MoKα","","0.0649","0.0573","","","0.1302","0.1346","","","","","","1.174","","","","has coordinates","170793","2020-10-21","18:00:00",""
"4344430","22.8121","0.001","11.8525","0.0005","27.9109","0.0012","90","","103.038","0.001","90","","7352","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Cl8 Ir N3 -","- C31 H34 Cl8 Ir N3 -","- C248 H272 Cl64 Ir8 N24 -","8","1","","Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2015","54","22","10811","10821","10.1021/acs.inorgchem.5b01835","","","0.71073","MoKα","","0.0704","0.0524","","","0.1169","0.1248","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344431","12.7383","0.0006","12.8295","0.0006","14.6989","0.0007","65.3518","0.0009","76.0091","0.0009","79.6834","0.0011","2110.18","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H43 F6 Ir N7 O1.5 -","- C41.5 H43 F6 Ir N7 O1.5 -","- C83 H86 F12 Ir2 N14 O3 -","2","1","","Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2015","54","22","10811","10821","10.1021/acs.inorgchem.5b01835","","","0.71073","MoKα","","0.0457","0.0387","","","0.0952","0.0981","","","","","","1.138","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344432","9.4572","0.0006","14.5674","0.0009","15.9333","0.001","78.1015","0.0012","85.8939","0.0012","73.1797","0.0012","2055.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H45 F6 Ir N7 O1.5 -","- C41.5 H45 F6 Ir N7 O1.5 -","- C83 H90 F12 Ir2 N14 O3 -","2","1","","Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.","Inorganic chemistry","2015","54","22","10811","10821","10.1021/acs.inorgchem.5b01835","","","0.71073","MoKα","","0.0334","0.0308","","","0.0818","0.0875","","","","","","1.094","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4344433","24.4348","0.001","10.9021","0.0003","31.9717","0.0013","90","","100.722","0.003","90","","8368.3","0.5","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 B Br Cl2 F2 N2 P2 Pt -","- C46 H38 B Br Cl2 F2 N2 P2 Pt -","- C368 H304 B8 Br8 Cl16 F16 N16 P16 Pt8 -","8","1","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.","Inorganic chemistry","2015","54","22","10946","10957","10.1021/acs.inorgchem.5b01969","","","0.71073","MoKα","","0.0495","0.0397","","","0.0758","0.0783","","","","","","1.13","","","","has coordinates,has disorder","170787","2020-10-21","18:00:00",""
"4344434","17.3407","0.0006","17.1055","0.0006","17.4603","0.0006","90","","94.532","0.003","90","","5162.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H36 B Br F2 N2 P2 Pt -","- C21 H36 B Br F2 N2 P2 Pt -","- C168 H288 B8 Br8 F16 N16 P16 Pt8 -","8","2","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.","Inorganic chemistry","2015","54","22","10946","10957","10.1021/acs.inorgchem.5b01969","","","0.71073","MoKα","","0.0713","0.0595","","","0.1366","0.1408","","","","","","1.291","","","","has coordinates","170787","2020-10-21","18:00:00",""
"4344435","12.96","0.0007","12.4443","0.0004","25.7749","0.0013","90","","100.449","0.004","90","","4088","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 B Br F2 N2 P2 Pt -","- C48 H39 B Br F2 N2 P2 Pt -","- C192 H156 B4 Br4 F8 N8 P8 Pt4 -","4","1","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.","Inorganic chemistry","2015","54","22","10946","10957","10.1021/acs.inorgchem.5b01969","","","0.71073","MoKα","","0.0611","0.0375","","","0.0534","0.0571","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344436","18.2027","0.0002","18.2027","0.0002","18.2027","0.0002","90","","90","","90","","6031.25","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H66 Co N6 O16 U2 -","- C57 H66 Co N6 O16 U2 -","- C228 H264 Co4 N24 O64 U8 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0402","0.03","","","0.0638","0.0657","","","","","","1.059","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344437","18.1944","0.0002","18.1944","0.0002","18.1944","0.0002","90","","90","","90","","6023","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H66 N6 Ni O16 U2 -","- C57 H66 N6 Ni O16 U2 -","- C228 H264 N24 Ni4 O64 U8 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0358","0.03","","","0.0687","0.0706","","","","","","1.048","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344438","13.4661","0.0003","13.4661","0.0003","22.3796","0.0008","90","","90","","120","","3514.52","0.17","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H84 Mn N6 O16 U2 -","- C72 H84 Mn N6 O16 U2 -","- C144 H168 Mn2 N12 O32 U4 -","2","0.166667","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0454","0.0374","","","0.0989","0.1036","","","","","","1.077","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344439","13.4057","0.0003","13.4057","0.0003","22.2777","0.0009","90","","90","","120","","3467.21","0.18","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H84 Co N6 O16 U2 -","- C72 H84 Co N6 O16 U2 -","- C144 H168 Co2 N12 O32 U4 -","2","0.166667","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0503","0.0408","","","0.1044","0.1096","","","","","","1.092","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344440","9.1445","0.0004","14.1647","0.0006","16.8451","0.0004","107.852","0.002","98.155","0.003","104.771","0.002","1950.02","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Mn2 N8 O20 U2 -","- C80 H80 Mn2 N8 O20 U2 -","- C80 H80 Mn2 N8 O20 U2 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0405","0.03","","","0.0667","0.0687","","","","","","1.064","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344441","9.1209","0.0005","14.1336","0.0008","16.6835","0.0009","108.374","0.003","97.421","0.003","104.217","0.003","1928.01","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Co2 N8 O20 U2 -","- C80 H80 Co2 N8 O20 U2 -","- C80 H80 Co2 N8 O20 U2 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.","Inorganic chemistry","2015","54","22","10539","10541","10.1021/acs.inorgchem.5b02348","","","0.71073","MoKα","","0.0409","0.0296","","","0.0661","0.069","","","","","","1.001","","","","has coordinates","170792","2020-10-21","18:00:00",""
"4344442","14.4853","0.0007","19.0581","0.0009","16.9739","0.0008","90","","111.307","0.002","90","","4365.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 B Fe N6 O2 -","- C51 H43 B Fe N6 O2 -","- C204 H172 B4 Fe4 N24 O8 -","4","1","","Rahaman, Rubina; Paria, Sayantan; Paine, Tapan Kanti","Aliphatic C-C Bond Cleavage of α-Hydroxy Ketones by Non-Heme Iron(II) Complexes: Mechanistic Insight into the Reaction Catalyzed by 2,4'-Dihydroxyacetophenone Dioxygenase.","Inorganic chemistry","2015","54","22","10576","10586","10.1021/acs.inorgchem.5b01235","","","0.71073","MoKα","","0.0669","0.0489","","","0.142","0.1532","","","","","","1.015","","","","has coordinates","170794","2020-10-21","18:00:00",""
"4344443","11.9959","0.0017","18.959","0.003","19.39","0.003","90","","103.2","0.007","90","","4293.4","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 Eu F18 N6 O6 -","- C36 H21 Eu F18 N6 O6 -","- C144 H84 Eu4 F72 N24 O24 -","4","1","","Ahmed, Zubair; Iftikhar, Khalid","Efficient Layers of Emitting Ternary Lanthanide Complexes for Fabricating Red, Green, and Yellow OLEDs.","Inorganic chemistry","2015","54","23","11209","11225","10.1021/acs.inorgchem.5b01630","","","0.71073","MoKα","","0.0541","0.0419","","","0.1182","0.131","","","","","","1.098","","","","has coordinates","173571","2020-10-21","18:00:00",""
"4344444","9.7278","0.0003","11.4273","0.0004","17.6049","0.0007","103.022","0.002","95.802","0.002","98.031","0.002","1870.07","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H15 F18 N4 O6 Tb -","- C29 H15 F18 N4 O6 Tb -","- C58 H30 F36 N8 O12 Tb2 -","2","1","","Ahmed, Zubair; Iftikhar, Khalid","Efficient Layers of Emitting Ternary Lanthanide Complexes for Fabricating Red, Green, and Yellow OLEDs.","Inorganic chemistry","2015","54","23","11209","11225","10.1021/acs.inorgchem.5b01630","","","0.71073","MoKα","","0.0574","0.0489","","","0.1375","0.147","","","","","","1.051","","","","has coordinates","173571","2020-10-21","18:00:00",""
"4344445","20.6001","0.0015","20.8819","0.0015","35.748","0.003","90","","90","","90","","15378","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Dy F18 N4 O6 -","- C29 H15 Dy F18 N4 O6 -","- C464 H240 Dy16 F288 N64 O96 -","16","2","","Ahmed, Zubair; Iftikhar, Khalid","Efficient Layers of Emitting Ternary Lanthanide Complexes for Fabricating Red, Green, and Yellow OLEDs.","Inorganic chemistry","2015","54","23","11209","11225","10.1021/acs.inorgchem.5b01630","","","0.71073","MoKα","","0.0793","0.0448","","","0.1272","0.1477","","","","","","1.069","","","","has coordinates","173571","2020-10-21","18:00:00",""
"4344446","16.7478","0.0003","22.254","0.0004","23.847","0.0017","90","","94.911","0.007","90","","8855.3","0.7","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H74 P2 Pd Si -","- C44.5 H74 P2 Pd Si -","- C356 H592 P16 Pd8 Si8 -","8","2","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","","1.54187","CuKα","","0.049","0.0388","","","0.1027","0.1098","","","","","","1.092","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344447","24.4262","0.0005","16.3","0.0003","39.968","0.003","90","","105.394","0.007","90","","15342.2","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H62 P2 Pt Si -","- C39.5 H62 P2 Pt Si -","- C632 H992 P32 Pt16 Si16 -","16","2","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","","0.71075","MoKα","","0.1087","0.0767","","","0.1998","0.2157","","","","","","1.038","","","","has coordinates,has disorder","190287","2020-10-21","18:00:00",""
"4344448","29.5946","0.0005","17.3883","0.0003","33.97","0.002","90","","99.69","0.007","90","","17231.6","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C173 H284 P8 Pt4 Si4 -","- C173 H284 P8 Pt4 Si4 -","- C692 H1136 P32 Pt16 Si16 -","4","0.5","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","","1.54187","CuKα","","0.0284","0.0272","","","0.0671","0.0678","","","","","","1.049","","","","has coordinates,has disorder","173573","2020-10-21","18:00:00",""
"4344449","12.2218","0.0003","13.9074","0.0004","16.238","0.0011","90","","102.87","0.007","90","","2690.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Cl P2 Pd Si -","- C25 H39 Cl P2 Pd Si -","- C100 H156 Cl4 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","","0.71075","MoKα","","0.0417","0.0382","","","0.0675","0.0686","","","","","","1.262","","","","has coordinates","173573","2020-10-21","18:00:00",""
"4344450","19.3892","0.0013","9.0012","0.0001","14.9432","0.0002","90","","94.714","0.007","90","","2599.16","0.18","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 P2 Pd Si -","- C25 H40 P2 Pd Si -","- C100 H160 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","","0.71075","MoKα","","0.027","0.0259","","","0.0574","0.0578","","","","","","1.217","","","","has coordinates","173573","2020-10-21","18:00:00",""
"4344451","24.4262","0.0005","16.3","0.0003","39.968","0.003","90","","105.394","0.007","90","","15342.2","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H124 P4 Pt2 Si2 -","- C79 H123.9 P4 Pt2 Si2 -","- C632 H991.2 P32 Pt16 Si16 -","8","1","","Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal","Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.","Inorganic chemistry","2015","54","23","11411","11422","10.1021/acs.inorgchem.5b02073","","neutron","0.85","neutron","","0.2905","0.1695","","0.2949","0.1356","0.1149","","","","","","1.1458","","","","has coordinates","173573","2020-10-21","18:00:00",""
"4344452","12.947","0.0012","14.3993","0.0013","18.3661","0.0017","90","","97.569","0.001","90","","3394.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 B Cl3 F18 N8 O4 Zn -","- C19 H10 B Cl F18 N8 O4 Zn -","- C76 H40 B4 Cl4 F72 N32 O16 Zn4 -","4","1","","Kulkarni, Naveen V.; Dash, Chandrakanta; Jayaratna, Naleen B.; Ridlen, Shawn G.; Karbalaei Khani, Sarah; Das, Animesh; Kou, Xiaodi; Yousufuddin, Muhammed; Cundari, Thomas R.; Dias, H. V. Rasika","Zinc(II)-Mediated Carbene Insertion into C-H Bonds in Alkanes.","Inorganic chemistry","2015","54","23","11043","11045","10.1021/acs.inorgchem.5b02134","","","0.71073","MoKα","","0.0543","0.0442","","","0.1282","0.1358","","","","","","1.124","","","","has coordinates","173576","2020-10-21","18:00:00",""
"4344453","47.7859","0.001","42.7862","0.001","24.7719","0.0005","90","","113.087","0.002","90","","46591.7","1.9","186","2","186","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C168 H259 Cl7 Gd24 N48 O194 Zn6 -","- C168 H156 Cl7 Gd24 N48 O194 Zn6 -","- C672 H624 Cl28 Gd96 N192 O776 Zn24 -","4","0.5","","Zhang, Li; Zhao, Lang; Zhang, Peng; Wang, Chao; Yuan, Sen-Wen; Tang, Jinkui","Nanoscale {Ln(III)24Zn(II)6} Triangular Metalloring with Magnetic Refrigerant, Slow Magnetic Relaxation, and Fluorescent Properties.","Inorganic chemistry","2015","54","23","11535","11541","10.1021/acs.inorgchem.5b02215","","","0.71073","MoKα","","0.1692","0.0875","","","0.2219","0.2807","","","","","","1.052","","","","has coordinates","173572","2020-10-21","18:00:00",""
"4344454","48.25","0.004","42.574","0.003","24.6952","0.0018","90","","114.097","0.001","90","","46308","6","186","2","186","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C174 H251 Cl5 N48 O175 Tb24 Zn6 -","- C174 H186 Cl5 N48 O175 Tb24 Zn6 -","- C696 H744 Cl20 N192 O700 Tb96 Zn24 -","4","0.5","","Zhang, Li; Zhao, Lang; Zhang, Peng; Wang, Chao; Yuan, Sen-Wen; Tang, Jinkui","Nanoscale {Ln(III)24Zn(II)6} Triangular Metalloring with Magnetic Refrigerant, Slow Magnetic Relaxation, and Fluorescent Properties.","Inorganic chemistry","2015","54","23","11535","11541","10.1021/acs.inorgchem.5b02215","","","0.71073","MoKα","","0.1482","0.086","","","0.2551","0.3114","","","","","","1.189","","","","has coordinates","173572","2020-10-21","18:00:00",""
"4344455","47.586","0.003","42.449","0.003","24.6782","0.0017","90","","113.173","0.001","90","","45828","5","186","2","186","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C172 H265 Cl7 Dy24 N48 O195 Zn6 -","- C172 H160 Cl7 Dy24 N48 O195 Zn6 -","- C688 H640 Cl28 Dy96 N192 O780 Zn24 -","4","0.5","","Zhang, Li; Zhao, Lang; Zhang, Peng; Wang, Chao; Yuan, Sen-Wen; Tang, Jinkui","Nanoscale {Ln(III)24Zn(II)6} Triangular Metalloring with Magnetic Refrigerant, Slow Magnetic Relaxation, and Fluorescent Properties.","Inorganic chemistry","2015","54","23","11535","11541","10.1021/acs.inorgchem.5b02215","","","0.71073","MoKα","","0.1307","0.0691","","","0.2079","0.2445","","","","","","1.093","","","","has coordinates","173572","2020-10-21","18:00:00",""
"4344456","15.896","0.005","12.544","0.004","16.658","0.008","90","","108.575","0.004","90","","3149","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl4 F6 Fe N4 O7 S2 -","- C18 H36 Cl4 F6 Fe N4 O7 S2 -","- C72 H144 Cl16 F24 Fe4 N16 O28 S8 -","4","1","","Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Münck, Eckard; Que, Jr, Lawrence","Upside Down! Crystallographic and Spectroscopic Characterization of an [Fe(IV)(Osyn)(TMC)](2+) Complex.","Inorganic chemistry","2015","54","23","11055","11057","10.1021/acs.inorgchem.5b02011","","","0.71073","MoKα","","0.1043","0.0644","","","0.1284","0.1474","","","","","","1.042","","","","has coordinates,has disorder","173574","2020-10-21","18:00:00",""
"4344457","14.8447","0.0018","14.8356","0.0018","11.0527","0.0014","90","","125.359","0.006","90","","1985.1","0.4","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Dodekafluorido_closo_dodekaborate(-1)","Cobaltocenium_dodekafluorido_closo_dodekaborate(-1)","","- C10 H10 B12 Co F12 -","- C10 H10 B12 Co F12 -","- C40 H40 B48 Co4 F48 -","4","0.5","","Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad","Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.","Inorganic chemistry","2015","54","23","11563","11566","10.1021/acs.inorgchem.5b02256","","","0.71073","MoKα","","0.0696","0.0473","","","0.1114","0.1254","","","","","","1.033","","","","has coordinates","173575","2020-10-21","18:00:00",""
"4344458","19.6","0.02","19.585","0.019","16.583","0.01","90","","90","","90","","6366","10","143","2","143","2","","","","","","","","6","A e a 2","A 2 -2ab","41","dodecafluorido_dodecaboranate(-2)","Bis(cobaltocenium)_dodecafluorido_dodecaboranate_aceton","","- C23 H20 B12 Co2 F12 O -","- C23 H20 B12 Co2 F12 O -","- C184 H160 B96 Co16 F96 O8 -","8","1","","Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad","Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.","Inorganic chemistry","2015","54","23","11563","11566","10.1021/acs.inorgchem.5b02256","","","0.71073","MoKα","","0.0753","0.0554","","","0.1385","0.1511","","","","","","1.083","","","","has coordinates","173575","2020-10-21","18:00:00",""
"4344459","9.1872","0.0008","12.9675","0.0011","22.2115","0.0019","90","","90","","90","","2646.2","0.4","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 I3 La N7 -","- C14 H21 I3 La N7 -","- C56 H84 I12 La4 N28 -","4","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0331","0.0316","","","0.0859","0.0921","","","","","","1.363","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344460","9.1581","0.0007","12.9344","0.001","22.1512","0.0016","90","","90","","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Ce I3 N7 -","- C14 H21 Ce I3 N7 -","- C56 H84 Ce4 I12 N28 -","4","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0308","0.0286","","","0.0842","0.0919","","","","","","1.351","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344461","17.9128","0.0014","23.5137","0.0019","20.9519","0.0017","90","","91.451","0.002","90","","8822","1.2","100","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 I12 N22 Nd4 -","- C38 H57 I12 N19 Nd4 -","- C152 H228 I48 N76 Nd16 -","4","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0729","0.064","","","0.1843","0.1871","","","","","","1.623","","","","has coordinates,has disorder","173570","2020-10-21","18:00:00",""
"4344462","10.5894","0.0008","13.9459","0.001","15.5902","0.0011","79.37","0.001","74.665","0.001","89.63","0.001","2180.1","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 I6 La2 N10 -","- C20 H30 I6 La2 N10 -","- C40 H60 I12 La4 N20 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0518","0.0439","","","0.09","0.0927","","","","","","1.095","","","","has coordinates,has disorder","173570","2020-10-21","18:00:00",""
"4344463","13.092","0.004","13.202","0.004","14.251","0.005","90","","108.339","0.005","90","","2338.1","1.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Cl12 La N10 -","- C20 H30 Al3 Cl12 La N10 -","- C40 H60 Al6 Cl24 La2 N20 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0537","0.0495","","","0.1385","0.1463","","","","","","1.383","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344464","13.0371","0.0009","13.1648","0.0009","14.1776","0.0009","90","","108.504","0.001","90","","2307.5","0.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Ce Cl12 N10 -","- C20 H30 Al3 Ce Cl12 N10 -","- C40 H60 Al6 Ce2 Cl24 N20 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0175","0.0165","","","0.0377","0.0379","","","","","","1.044","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344465","13.0031","0.0009","13.1543","0.0009","14.0996","0.001","90","","108.512","0.001","90","","2286.9","0.3","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 Al3 Cl12 N10 Nd -","- C20 H30 Al3 Cl12 N10 Nd -","- C40 H60 Al6 Cl24 N20 Nd2 -","2","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0219","0.0189","","","0.042","0.0511","","","","","","1.025","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344466","20.4644","0.002","9.31815","0.00087","5.54812","0.0005","90","","90","","90","","1057.97","0.17","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ca19.81 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","1","0.25","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.75","1.256","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4344467","20.5411","0.0023","9.34901","0.00088","5.55337","0.00054","90","","90","","90","","1066.46","0.19","300","","300","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","1","0.25","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.8","1.443","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4344468","6.95409","0.00035","5.58264","0.00029","9.45199","0.00048","90","","90","","90","","366.95","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","1","0.125","","Zhiguo Xia; Shihai Miao; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","Structure, crystallographic Sites and Tunable Luminescence Properties of Eu2+ and Ce3+/Li±activated Ca1.65Sr0.35SiO4 Phosphor","Inorganic Chemistry","2015","54","16","7684","7691","10.1021/acs.inorgchem.5b00455","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.464","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4344469","9.163","0.0003","12.5772","0.0004","7.3398","0.0002","90","","90","","90","","845.87","0.04","295","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","(urea)2MnCl2","","","- C2 H8 Cl2 Mn N4 O2 -","- C2 H8 Cl2 Mn N4 O2 -","- C8 H32 Cl8 Mn4 N16 O8 -","4","0.5","","Manson, Jamie L.; Huang, Qing-Zhen; Brown, Craig M.; Lynn, Jeffrey W.; Stone, Matthew B.; Singleton, John; Xiao, Fan","Magnetic Structure and Exchange Interactions in Quasi-One-Dimensional MnCl2(urea)2.","Inorganic chemistry","2015","54","24","11897","11905","10.1021/acs.inorgchem.5b02162","","","0.71073","MoKα","","0.0216","0.02","","","0.0486","0.0493","","","","","","1.082","","","","has coordinates","173569","2020-10-21","18:00:00",""
"4344470","14.629","0.009","14.629","0.009","14.629","0.009","90","","90","","90","","3131","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Sn -","- Ce6 Mg23 Sn -","- Ce24 Mg92 Sn4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.6711","2.03","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344471","14.32","0.007","14.32","0.007","14.32","0.007","90","","90","","90","","2936","2","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Gd6 Mg23 -","- C Gd6 Mg23 -","- C4 Gd24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","6.3338","1.31","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344472","14.586","0.009","14.586","0.009","14.586","0.009","90","","90","","90","","3103","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Si -","- Ce6 Mg23 Si -","- Ce24 Mg92 Si4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","5.215","2.36","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344473","14.453","0.004","14.453","0.004","14.453","0.004","90","","90","","90","","3019.1","1.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Nd6 -","- C Mg23 Nd6 -","- C4 Mg92 Nd24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.4979","1.56","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344474","14.491","0.004","14.491","0.004","14.491","0.004","90","","90","","90","","3043","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Pr6 -","- C Mg23 Pr6 -","- C4 Mg92 Pr24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","2.6515","2.08","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344475","14.38","0.007","14.38","0.007","14.38","0.007","90","","90","","90","","2974","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Mg23 Sm6 -","- C Mg23 Sm6 -","- C4 Mg92 Sm24 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","4.2921","1.55","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344476","14.617","0.009","14.617","0.009","14.617","0.009","90","","90","","90","","3123","3","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C La6 Mg23 -","- C La6 Mg23 -","- C4 La24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","3.283","2.17","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344477","14.628","0.003","14.628","0.003","14.628","0.003","90","","90","","90","","3130.1","1.1","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 Sb -","- Ce6 Mg23 Sb -","- Ce24 Mg92 Sb4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","1.939","1.59","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344478","14.597","0.005","14.597","0.005","14.597","0.005","90","","90","","90","","3110.2","1.8","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Ge Mg23 -","- Ce6 Ge Mg23 -","- Ce24 Ge4 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","5.274","2.16","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344479","14.552","0.004","14.552","0.004","14.552","0.004","90","","90","","90","","3081.5","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce6 Mg23 P -","- Ce6 Mg23 P -","- Ce24 Mg92 P4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","3.1467","1.78","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344480","14.713","0.001","14.713","0.001","14.713","0.001","90","","90","","90","","3185","0.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- La6 Mg23 Sb -","- La6 Mg23 Sb -","- La24 Mg92 Sb4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","7.2116","2.69","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344481","14.573","0.004","14.573","0.004","14.573","0.004","90","","90","","90","","3094.9","1.5","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As Ce6 Mg23 -","- As Ce6 Mg23 -","- As4 Ce24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","CuKα","","","","","","","","","4.1567","2.01","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344482","14.53469","0.00006","14.53469","0.00006","14.53469","0.00006","90","","90","","90","","3070.56","0.02","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C Ce6 Mg23 -","- C Ce6 Mg23 -","- C4 Ce24 Mg92 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","4.2785","2.51","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344483","14.635","0.001","14.635","0.001","14.635","0.001","90","","90","","90","","3134.6","0.4","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- La6 Mg23 P -","- La6 Mg23 P -","- La24 Mg92 P4 -","4","0.0208333","","Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana","Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).","Inorganic chemistry","2015","55","1","191","","10.1021/acs.inorgchem.5b02114","powder diffraction","","1.5418","","","","","","","","","","6.0439","2.92","","","","","","","has coordinates","175781","2020-10-21","18:00:00",""
"4344760","12.415","0.002","20.76","0.004","14.192","0.002","90","","93.289","0.003","90","","3651.8","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N3 P Si2 -","- C38 H56 N3 P Si2 -","- C152 H224 N12 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0682","0.0536","","","0.1126","0.1199","","","","","","1.094","","","","has coordinates","175622","2020-10-21","18:00:00",""
"4344761","20.049","0.009","10.006","0.004","19.544","0.009","90","","103.212","0.007","90","","3817","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 N3 O2 P Si2 -","- C38 H56 N3 O2 P Si2 -","- C152 H224 N12 O8 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0827","0.0684","","","0.1531","0.161","","","","","","1.128","","","","has coordinates","175622","2020-10-21","18:00:00",""
"4344762","18.7","0.004","11.581","0.003","17.899","0.004","90","","90","","90","","3876.3","1.6","113","2","113","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H56 N3 O P Si2 -","- C38 H56 N3 O P Si2 -","- C152 H224 N12 O4 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Tao, Yunwen; Cui, Chunming","Controlled Oxidation of an NHC-Stabilized Phosphinoaminosilylene with Dioxygen.","Inorganic chemistry","2015","55","1","46","","10.1021/acs.inorgchem.5b02580","","","0.71073","MoKα","","0.0369","0.0341","","","0.0797","0.0808","","","","","","1.064","","","","has coordinates","175622","2020-10-21","18:00:00",""
"4344763","6.5653","0.0002","14.1231","0.0006","12.6927","0.0004","90","","91.462","0.004","90","","1176.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cu2 N4 -","- C5 H8 Cu2 N4 -","- C20 H32 Cu8 N16 -","4","1","","Xu, Xiao-Yan; Chen, Qiu-Cheng; Yu, Ya-Dong; Huang, Xiao-Chun","Ligand Induced Anionic Cuprous Cyanide Framework for Cupric Ion Turn on Luminescence Sensing and Photocatalytic Degradation of Organic Dyes.","Inorganic chemistry","2015","55","1","75","","10.1021/acs.inorgchem.5b01820","","","0.71073","MoKα","","0.0524","0.0457","","","0.1463","0.1535","","","","","","1.061","","","","has coordinates,has disorder","175623","2020-10-21","18:00:00",""
"4344764","12.4415","0.001","8.5818","0.0004","12.4877","0.0007","90","","105.143","0.006","90","","1287.02","0.14","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C6 H8 Cu3 N5 -","- C6 H8 Cu3 N5 -","- C24 H32 Cu12 N20 -","4","0.5","","Xu, Xiao-Yan; Chen, Qiu-Cheng; Yu, Ya-Dong; Huang, Xiao-Chun","Ligand Induced Anionic Cuprous Cyanide Framework for Cupric Ion Turn on Luminescence Sensing and Photocatalytic Degradation of Organic Dyes.","Inorganic chemistry","2015","55","1","75","","10.1021/acs.inorgchem.5b01820","","","0.71073","MoKα","","0.0544","0.0473","","","0.1281","0.1349","","","","","","1.056","","","","has coordinates,has disorder","175623","2020-10-21","18:00:00",""
"4344765","11.0496","0.001","12.0612","0.0012","14.4233","0.0013","108.317","0.009","96.963","0.007","101.806","0.008","1750.3","0.3","290.92","0.1","290.92","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H49 Na O6 -","- C38 H49 Na O6 -","- C76 H98 Na2 O12 -","2","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","","1.54184","CuKα","","0.0797","0.0668","","","0.1831","0.1977","","","","","","1.071","","","","has coordinates","175624","2020-10-21","18:00:00",""
"4344766","20.5706","0.001","10.8792","0.0005","28.0601","0.0016","90","","91.238","0.006","90","","6278.2","0.6","173.73","","173.73","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 K O7 -","- C35 H40 K O7 -","- C280 H320 K8 O56 -","8","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","x-ray","0.71073","MoKα","","0.0983","0.0563","","","0.0906","0.1091","","","","","","1.04","","","","has coordinates","175625","2020-10-21","18:00:00",""
"4344767","20.3","0.002","10.7796","0.0007","14.2425","0.0008","90","","90","","90","","3116.6","0.4","173.73","0.1","173.73","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 K O8 -","- C33 H39 K O8 -","- C132 H156 K4 O32 -","4","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","x-ray","0.71073","MoKα","","0.1374","0.0694","","","0.0964","0.1229","","","","","","1.005","","","","has coordinates","175626","2020-10-21","18:00:00",""
"4344768","9.2808","0.0013","22.016","0.002","19.332","0.003","90","","103.147","0.014","90","","3846.5","0.9","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 K O7 -","- C40 H53 K O7 -","- C160 H212 K4 O28 -","4","1","","Sun, Yangyang; Xiong, Jiao; Dai, Zhongran; Pan, Xiaobo; Tang, Ning; Wu, Jincai","Stereoselective Alkali-Metal Catalysts for Highly Isotactic Poly(rac-lactide) Synthesis.","Inorganic chemistry","2015","55","1","136","","10.1021/acs.inorgchem.5b02709","","","0.71073","MoKα","","0.146","0.0833","","","0.1942","0.2463","","","","","","1.036","","","","has coordinates","175627","2020-10-21","18:00:00",""
"4344769","21.9891","0.0007","21.9891","0.0007","9.4696","0.0009","90","","90","","120","","3965.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 F6 O4 Sr -","- C4 F6 O4 Sr -","- C72 F108 O72 Sr18 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0531","0.0286","","","0.0513","0.0554","","","","","","1.02","","","","has coordinates","175628","2020-10-21","18:00:00",""
"4344770","21.2541","0.0018","21.2541","0.0018","10.4984","0.001","90","","90","","120","","4107.1","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 Ba F6 O4 -","- C4 Ba F6 O4 -","- C72 Ba18 F108 O72 -","18","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.0385","0.0231","","","0.0445","0.051","","","","","","1.097","","","","has coordinates","175629","2020-10-21","18:00:00",""
"4344771","9.4572","0.0003","9.3568","0.0003","16.5456","0.0005","90","","90.71","0.002","90","","1463.99","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ca1.5 F9 O8 -","- C6 H4 Ca1.5 F9 O8 -","- C24 H16 Ca6 F36 O32 -","4","1","","Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.","Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.","Inorganic chemistry","2015","55","1","170","","10.1021/acs.inorgchem.5b02081","","","0.71073","MoKα","","0.1737","0.0925","","","0.2372","0.2628","","","","","","1.057","","","","has coordinates","175630","2020-10-21","18:00:00",""
"4344772","13.1327","0.0008","13.1327","0.0008","7.8434","0.0005","90","","90","","120","","1171.5","0.13","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0482","0.048","","","0.1222","0.1223","","","","","","1.293","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344773","13.1187","0.0007","13.1187","0.0007","7.8357","0.0004","90","","90","","120","","1167.86","0.11","243","2","243","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0464","0.0462","","","0.1197","0.1198","","","","","","1.341","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344774","13.106","0.0007","13.106","0.0007","7.829","0.0004","90","","90","","120","","1164.6","0.11","193","2","193","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0442","0.044","","","0.112","0.1121","","","","","","1.284","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344775","13.0947","0.0007","13.0947","0.0007","7.8233","0.0004","90","","90","","120","","1161.75","0.11","143","2","143","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0429","0.0428","","","0.1123","0.1124","","","","","","1.319","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344776","13.0899","0.0007","13.0899","0.0007","7.8212","0.0004","90","","90","","120","","1160.58","0.11","93","2","93","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0428","0.0427","","","0.112","0.112","","","","","","1.318","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344777","13.1019","0.0005","3.6278","0.0001","6.298","0.0003","90","","117.838","0.005","90","","264.71","0.02","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Co Cr2 Se4 -","- Co1.24 Cr1.76 Se4 -","- Co2.48 Cr3.52 Se8 -","2","0.25","","Svitlyk, V.; Chernyshov, D.; Mozharivskyj, Y.; Yuan, F.; Zaharko, O.; Mezouar, M.","Temperature- and Pressure-Induced Spin Crossover in Co1+xCr2-xSe4 (x = 0.24): A Diffraction Study.","Inorganic chemistry","2015","55","1","338","","10.1021/acs.inorgchem.5b02475","","","0.6983","","","0.034","0.0322","","","0.086","0.0869","","","","","","1.179","","","","has coordinates","175632","2020-10-21","18:00:00",""
"4344778","14.6204","0.0015","18.6371","0.0019","10.142","0.001","90","","97.648","0.002","90","","2738.9","0.5","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","neijk01","","","- C58 H88 P2 -","- C58 H88 P2 -","- C116 H176 P4 -","2","0.5","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.0943","0.0512","","","0.108","0.127","","","","","","1.023","","","","has coordinates,has disorder","175633","2020-10-21","18:00:00",""
"4344779","14.135","0.004","28.716","0.008","16.87","0.005","90","","102.479","0.006","90","","6686","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","neijk04","","","- C66 H104 Cl2 Fe O4 P2 -","- C66 H104 Cl2 Fe O4 P2 -","- C264 H416 Cl8 Fe4 O16 P8 -","4","1","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1193","0.0618","","","0.1419","0.1649","","","","","","1.017","","","","has coordinates,has disorder","175633","2020-10-21","18:00:00",""
"4344780","9.381","0.002","10.138","0.002","17.591","0.004","82.096","0.005","81.479","0.005","68.716","0.005","1535.3","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","neijk31","","","- C30 H24 Cl2 Fe P2 -","- C30 H24 Cl2 Fe P2 -","- C60 H48 Cl4 Fe2 P4 -","2","1","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.0657","0.0405","","","0.0969","0.1096","","","","","","1.012","","","","has coordinates","175633","2020-10-21","18:00:00",""
"4344781","16.882","0.004","10.534","0.003","37.753","0.009","90","","93.412","0.004","90","","6702","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neivf02","","","- C39 H32 Cl2 Fe O P2 -","- C39 H32 Cl2 Fe O P2 -","- C312 H256 Cl16 Fe8 O8 P16 -","8","2","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1202","0.0581","","","0.1198","0.1388","","","","","","1.027","","","","has coordinates","175633","2020-10-21","18:00:00",""
"4344782","14.5951","0.0011","14.2424","0.0011","30.373","0.002","90","","103.265","0.0014","90","","6145.2","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 2/n 1","-P 2yac","13","neijk39","","","- C128 H186 Br2 Fe2 O P4 -","- C128 H186 Br2 Fe2 O P4 -","- C256 H372 Br4 Fe4 O2 P8 -","2","0.5","","Kneebone, Jared L.; Fleischauer, Valerie E.; Daifuku, Stephanie L.; Shaps, Ari A.; Bailey, Joseph M.; Iannuzzi, Theresa E.; Neidig, Michael L.","Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.","Inorganic chemistry","2015","55","1","272","","10.1021/acs.inorgchem.5b02263","","","0.71073","MoKα","","0.1085","0.0527","","","0.0932","0.1096","","","","","","1.021","","","","has coordinates,has disorder","175633","2020-10-21","18:00:00",""
"4344783","8.037","0.003","10.192","0.003","11.154","0.004","104.877","0.005","98.307","0.005","103.873","0.005","836.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn4 N20 O10 -","- C26 H18 Mn4 N20 O10 -","- C26 H18 Mn4 N20 O10 -","1","0.5","","Gong, Teng; Yang, Xiao; Sui, Qi; Qi, Yan; Xi, Fu-Gui; Gao, En-Qing","Magnetic and Photochromic Properties of a Manganese(II) Metal-Zwitterionic Coordination Polymer.","Inorganic chemistry","2015","55","1","96","","10.1021/acs.inorgchem.5b01888","","","0.71073","MoKα","","0.0439","0.0374","","","0.1523","0.1847","","","","","","1.125","","","","has coordinates","175634","2020-10-21","18:00:00",""
"4344784","4.1103","0.0007","4.1662","0.0007","6.4641","0.0011","90","","108.605","0.012","90","","104.91","0.03","297","","297","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","- D3.32 Ga2 Nd2 -","1","0.25","","Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sørby, Magnus H; Zlotea, Claudia; Andersson, Mikael S.; Nordblad, Per; Scheicher, Ralph H.; Häussermann, Ulrich; Sahlberg, Martin","Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains.","Inorganic chemistry","2015","55","1","345","","10.1021/acs.inorgchem.5b02485","powder diffraction","","1.5539","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.6137","","","","","","","","has coordinates","175635","2020-10-21","18:00:00",""
"4344785","9.7614","0.0011","17.681","0.002","18.517","0.002","65.05","0.006","85.142","0.006","75.089","0.006","2799","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H43 B F24 N4 O2 Rh -","- C56 H43 B F24 N4 O2 Rh -","- C112 H86 B2 F48 N8 O4 Rh2 -","2","1","","Desnoyer, Addison N.; Behyan, Shirin; Patrick, Brian O.; Dauth, Alexander; Love, Jennifer A.; Kennepohl, Pierre","Reexamining Oxidation States during the Synthesis of 2-Rhodaoxetanes from Olefins.","Inorganic chemistry","2015","55","1","13","","10.1021/acs.inorgchem.5b02703","","","0.71073","MoKα","","0.1052","0.0708","","","0.1414","0.1513","","","","","","1.106","","","","has coordinates,has disorder","175636","2020-10-21","18:00:00",""
"4344786","24.2228","0.0003","12.44798","0.00016","11.01843","0.00011","90","","93.693","0.001","90","","3315.43","0.07","120","1","120","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H55 N P2 -","- C34 H55 N P2 -","- C136 H220 N4 P8 -","4","0.5","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0863","0.0884","","","","","","1.079","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344787","10.877","0.006","11.319","0.005","13.556","0.007","83.516","0.012","83.71","0.013","89.019","0.008","1648.3","1.4","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 Li N P2 -","- C34 H54 Li N P2 -","- C68 H108 Li2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0528","0.0398","","","0.1017","0.1106","","","","","","1.03","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344788","12.65484","0.00012","11.54401","0.00012","13.13616","0.00012","90","","99.685","0.0009","90","","1891.68","0.03","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H54 Cl3 N P2 Ti -","- C34 H54 Cl3 N P2 Ti -","- C68 H108 Cl6 N2 P4 Ti2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0318","0.0303","","","0.0696","0.0701","","","","","","1.124","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344789","25.0976","0.0003","11.80726","0.00012","26.5517","0.0003","90","","110.531","0.0013","90","","7368.43","0.16","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl3 N P2 Zr -","- C34 H54 Cl3 N P2 Zr -","- C272 H432 Cl24 N8 P16 Zr8 -","8","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0668","0.042","","","0.0897","0.0988","","","","","","1.048","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344790","25.084","0.011","11.776","0.006","26.438","0.011","90","","110.629","0.007","90","","7309","6","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl3 Hf N P2 -","- C34 H54 Cl3 Hf N P2 -","- C272 H432 Cl24 Hf8 N8 P16 -","8","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0524","0.0327","","","0.0622","0.0686","","","","","","1.029","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344791","10.896","0.005","11.191","0.005","18.269","0.008","76.78","0.006","77.212","0.007","71.266","0.008","2027.1","1.6","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N P2 Ti -","- C46 H46 Cl3 N P2 Ti -","- C92 H92 Cl6 N2 P4 Ti2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0614","0.0455","","","0.1177","0.1294","","","","","","1.05","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344792","11.01348","0.00015","11.11271","0.00016","18.54","0.0003","76.9709","0.0013","77.1365","0.0013","71.1366","0.0013","2064.18","0.06","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N P2 Zr -","- C46 H46 Cl3 N P2 Zr -","- C92 H92 Cl6 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0436","0.0381","","","0.0771","0.0791","","","","","","1.158","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344793","11.09282","0.0001","11.09294","0.00009","18.53238","0.00015","76.932","0.0007","77.1622","0.0007","71.0505","0.0008","2073.43","0.03","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 Hf N P2 -","- C46 H46 Cl3 Hf N P2 -","- C92 H92 Cl6 Hf2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0364","0.0333","","","0.0642","0.065","","","","","","1.224","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344794","13.12353","0.00013","13.48168","0.00012","22.15079","0.00019","90","","92.1938","0.0008","90","","3916.21","0.06","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 I3 N P2 Zr -","- C34 H54 I3 N P2 Zr -","- C136 H216 I12 N4 P8 Zr4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.54184","CuKα","","0.0495","0.0438","","","0.1041","0.1072","","","","","","1.083","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344795","12.2879","0.0002","14.4319","0.0003","25.2891","0.0006","90","","97.09","0.002","90","","4450.42","0.16","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 Cl N O P2 Ti -","- C45 H70 Cl N O P2 Ti -","- C180 H280 Cl4 N4 O4 P8 Ti4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0931","0.0741","","","0.1881","0.2022","","","","","","1.075","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344796","11.682","0.006","12.21","0.007","18.137","0.008","88.521","0.008","73.512","0.01","65.768","0.009","2250","2","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H52 I N P2 Zr -","- C53 H52 I N P2 Zr -","- C106 H104 I2 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.072","0.0428","","","0.0899","0.1021","","","","","","1.023","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344797","15.0656","0.0003","15.5282","0.0002","21.92283","0.00017","98.0613","0.0009","101.152","0.0012","96.3265","0.0014","4932.07","0.13","110","2","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Cl2 N P2 Zr -","- C56 H60 Cl2 N P2 Zr -","- C224 H240 Cl8 N4 P8 Zr4 -","4","2","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","1.5418","CuKα","","0.0792","0.0649","","","0.1813","0.1902","","","","","","1.088","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344798","9.824","0.005","12.521","0.006","20.151","0.008","99.162","0.007","91.086","0.006","96.061","0.01","2432","2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H71 N P2 Zr -","- C51.5 H70.5 N P2 Zr -","- C103 H141 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0409","0.032","","","0.0806","0.0882","","","","","","1.067","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344799","12.754","0.005","14.325","0.006","15.832","0.007","89.569","0.01","67.665","0.011","88.024","0.008","2673.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H67 N P2 Zr -","- C67 H67 N P2 Zr -","- C134 H134 N2 P4 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0423","0.0328","","","0.0777","0.0832","","","","","","1.043","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344800","10.16301","0.00005","12.17106","0.00006","25.05925","0.00013","79.0795","0.0004","89.6915","0.0004","70.9254","0.0004","2871.11","0.03","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H71 Hf N P2 -","- C70.5 H71 Hf N P2 -","- C141 H142 Hf2 N2 P4 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.032","0.0302","","","0.0653","0.0658","","","","","","1.241","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344801","14.702","0.007","19.615","0.009","24.125","0.011","90","","102.907","0.012","90","","6781","5","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H82 K N P2 Zr -","- C81 H82 K N P2 Zr -","- C324 H328 K4 N4 P8 Zr4 -","4","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0611","0.0384","","","0.0855","0.0967","","","","","","1.045","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344802","12.87889","0.00017","14.18501","0.00018","16.2618","0.0002","66.3864","0.0012","85.4794","0.0011","75.2037","0.0011","2630.88","0.06","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Cl2 N P3 Zr -","- C49 H54 Cl2 N P3 Zr -","- C98 H108 Cl4 N2 P6 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0513","0.0408","","","0.1026","0.1079","","","","","","1.027","","","","has coordinates","175638","2020-10-21","18:00:00",""
"4344803","11.76549","0.00016","12.14184","0.00019","22.1227","0.0003","82.5449","0.0013","78.4729","0.0012","65.6661","0.0014","2817.51","0.08","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H66 I N O0.5 P3 Zr -","- C65 H61 I N P3 Zr -","- C130 H122 I2 N2 P6 Zr2 -","2","1","","Plundrich, Gudrun T.; Wadepohl, Hubert; Gade, Lutz H.","Synthesis and Reactivity of Group 4 Metal Benzyl Complexes Supported by Carbazolide-Based PNP Pincer Ligands.","Inorganic chemistry","2015","55","1","353","","10.1021/acs.inorgchem.5b02498","","x-ray","0.71073","MoKα","","0.0657","0.0505","","","0.1245","0.1335","","","","","","1.042","","","","has coordinates,has disorder","175638","2020-10-21","18:00:00",""
"4344804","8.2867","0.0002","9.9403","0.0003","23.3563","0.0016","89.016","0.006","86.264","0.006","73.891","0.005","1844.44","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H82 N2 O17 -","- C88 H82 N2 O17 -","- C88 H82 N2 O17 -","1","0.5","","Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung","A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.","Inorganic chemistry","2015","55","1","205","","10.1021/acs.inorgchem.5b02147","","","1.54187","CuKα","","0.1762","0.1426","","","0.3483","0.3784","","","","","","1.068","","","","has coordinates,has disorder","175639","2020-10-21","18:00:00",""
"4344805","8.3836","0.0012","18.751","0.003","23.344","0.003","90","","90","","90","","3669.7","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N O9 -","- C38 H27 N O9 -","- C152 H108 N4 O36 -","4","1","","Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung","A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.","Inorganic chemistry","2015","55","1","205","","10.1021/acs.inorgchem.5b02147","","","0.71073","MoKα","","0.1144","0.0504","","","0.1273","0.1681","","","","","","1.089","","","","has coordinates","175640","2020-10-21","18:00:00",""
"4344806","9.4129","0.0007","9.4129","0.0007","6.1506","0.0004","90","","90","","120","","471.95","0.06","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0323","0.0284","","","0.0629","0.0656","","","","","","1.061","","","","has coordinates","175641","2020-10-21","18:00:00",""
"4344807","9.5156","0.0002","9.5156","0.0002","6.1577","0.0003","90","","90","","120","","482.86","0.03","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0176","0.0174","","","0.0446","0.0447","","","","","","1.033","","","","has coordinates","175642","2020-10-21","18:00:00",""
"4344808","10.5959","0.0008","19.5181","0.0017","7.731","0.0006","90","","104.956","0.002","90","","1544.7","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl2 N12 O8 Zn -","- C4 H12 Cl2 N12 O8 Zn -","- C16 H48 Cl8 N48 O32 Zn4 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0996","0.0729","","","0.1954","0.2108","","","","","","1.091","","","","has coordinates","175643","2020-10-21","18:00:00",""
"4344809","9.3258","0.0004","9.3258","0.0004","6.0815","0.0002","90","","90","","120","","458.05","0.03","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0439","0.0357","","","0.0792","0.0829","","","","","","1.008","","","","has coordinates","175644","2020-10-21","18:00:00",""
"4344810","9.454","0.0009","9.454","0.0009","6.1473","0.0011","90","","90","","120","","475.82","0.11","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0152","0.0151","","","0.0383","0.0383","","","","","","1.122","","","","has coordinates","175645","2020-10-21","18:00:00",""
"4344811","10.6001","0.0008","19.3309","0.0018","7.931","0.0006","90","","104.928","0.002","90","","1570.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 Mn N12 O8 -","- C4 H12 Cl2 Mn N12 O8 -","- C16 H48 Cl8 Mn4 N48 O32 -","4","1","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0649","0.0416","","","0.0942","0.1058","","","","","","1.048","","","","has coordinates","175646","2020-10-21","18:00:00",""
"4344812","20.4062","0.0017","20.4062","0.0017","15.3975","0.0012","90","","90","","90","","6411.7","0.9","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H48 Cd5 Cl10 N48 O16 -","- C16 H48 Cd5 Cl10 N48 O16 -","- C64 H192 Cd20 Cl40 N192 O64 -","4","0.25","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0917","0.0465","","","0.1067","0.1333","","","","","","1.025","","","","has coordinates,has disorder","175647","2020-10-21","18:00:00",""
"4344813","21.4911","0.0011","23.2808","0.0011","12.2729","0.0008","90","","119.763","0.002","90","","5330.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H45 Cl6 Co3 N24 O34.5 -","- C12 H45 Cl6 Co3 N24 O34.5 -","- C48 H180 Cl24 Co12 N96 O138 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","1.54178","CuKα","","0.216","0.1202","","","0.2755","0.3304","","","","","","1.052","","","","has coordinates,has disorder","175648","2020-10-21","18:00:00",""
"4344814","7.6985","0.0005","8.6832","0.0006","10.9672","0.0011","71.118","0.001","72.434","0.001","86.012","0.002","661.01","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H30 Cl4 N12 Ni2 O16 -","- C4 H30 Cl4 N12 Ni2 O16 -","- C4 H30 Cl4 N12 Ni2 O16 -","1","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0462","0.0413","","","0.1014","0.1058","","","","","","1.037","","","","has coordinates","175649","2020-10-21","18:00:00",""
"4344815","9.137","0.0008","15.4381","0.0013","10.6689","0.0009","90","","103.544","0.002","90","","1463.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H28 Cl4 N12 Ni2 O24 -","- C4 H28 Cl4 N12 Ni2 O24 -","- C8 H56 Cl8 N24 Ni4 O48 -","2","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0446","0.0318","","","0.0774","0.0846","","","","","","1.046","","","","has coordinates","175650","2020-10-21","18:00:00",""
"4344816","21.4322","0.0018","23.054","0.002","12.1309","0.0011","90","","119.618","0.002","90","","5210.7","0.8","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H45 Cl6 N24 Ni3 O34.5 -","- C12 H45 Cl6 N24 Ni3 O34.5 -","- C48 H180 Cl24 N96 Ni12 O138 -","4","0.5","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.1209","0.0845","","","0.2575","0.2862","","","","","","1.13","","","","has coordinates,has disorder","175651","2020-10-21","18:00:00",""
"4344821","25.2389","0.0016","15.3624","0.0009","20.5877","0.0012","90","","94.599","0.003","90","","7956.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Gd3N@D2(35)-C88 . Ni(OEP) . 2 toluene","","","- C138 H60 Gd3 N5 Ni -","- C138 H60 Gd3 N5 Ni -","- C552 H240 Gd12 N20 Ni4 -","4","0.5","","Stevenson, Steven; Arvola, Kristine D.; Fahim, Muska; Martin, Benjamin R.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Isolation and Crystallographic Characterization of Gd3N@D2(35)-C88 through Non-Chromatographic Methods.","Inorganic chemistry","2015","55","1","62","","10.1021/acs.inorgchem.5b01814","","","0.7749","synchrotron","","0.1101","0.0888","","","0.2424","0.267","","","","","","1.036","","","","has coordinates,has disorder","175656","2020-10-21","18:00:00",""
"4344822","9.993","0.01","20.97","0.02","8.424","0.008","90","","102.566","0.014","90","","1723","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Dy2 N10 O14 -","- C28 H32 Dy2 N10 O14 -","- C56 H64 Dy4 N20 O28 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.0864","0.0711","","","0.1181","0.1257","","","","","","1.078","","","","has coordinates","175657","2020-10-21","18:00:00",""
"4344823","11.4774","0.0016","15.404","0.002","8.6564","0.0011","90","","90.972","0.012","90","","1530.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Dy2 N8 O16 -","- C20 H30 Dy2 N8 O16 -","- C40 H60 Dy4 N16 O32 -","2","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.0497","0.0391","","","0.0918","0.0989","","","","","","0.986","","","","has coordinates","208163","2020-10-21","18:00:00",""
"4344824","16.0416","0.0006","13.7439","0.0006","16.7924","0.0008","90","","90","","90","","3702.3","0.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Dy2 N10 O16 -","- C30 H36 Dy2 N10 O16 -","- C120 H144 Dy8 N40 O64 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.026","0.0213","","","0.0502","0.0513","","","","","","1.013","","","","has coordinates","175659","2020-10-21","18:00:00",""
"4344825","11.1084","0.0004","12.6969","0.0004","15.4779","0.0005","90","","102.213","0.001","90","","2133.63","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Pt Sn -","- C20 H40 Pt Sn -","- C80 H160 Pt4 Sn4 -","4","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0283","0.0183","","","0.0382","0.0411","","","","","","1.019","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344826","9.071","0.0004","17.9933","0.0007","16.1327","0.0006","90","","104.973","0.001","90","","2543.73","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H90 Pt2 Sn4 -","- C40 H90 Pt2 Sn4 -","- C80 H180 Pt4 Sn8 -","2","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0352","0.0242","","","0.0555","0.0613","","","","","","1.024","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344827","9.1706","0.0003","11.9962","0.0004","12.707","0.0005","97.1493","0.0005","99.4757","0.0005","102.945","0.0005","1324.75","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 O2 Pt2 Sn4 -","- C42 H90 O2 Pt2 Sn4 -","- C42 H90 O2 Pt2 Sn4 -","1","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.042","0.0391","","","0.0974","0.0993","","","","","","1.042","","","","has coordinates,has disorder","175660","2020-10-21","18:00:00",""
"4344828","10.1742","0.0001","11.768","0.0001","13.5031","0.0002","102.181","0.001","106.693","0.001","113.155","0.001","1324.02","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H96 N4 Pt2 Sn2 -","- C46 H96 N4 Pt2 Sn2 -","- C46 H96 N4 Pt2 Sn2 -","1","0.5","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0159","0.0153","","","0.0384","0.0387","","","","","","1.067","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344829","12.6631","0.0003","27.5135","0.0007","17.6146","0.0004","90","","104.694","0.001","90","","5936.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N2 O Pt Sn -","- C24 H48 N2 O Pt Sn -","- C192 H384 N16 O8 Pt8 Sn8 -","8","2","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0483","0.0286","","","0.0563","0.063","","","","","","1.013","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344830","9.3026","0.0003","12.3233","0.0005","14.8142","0.0006","96.221","0.001","93.012","0.001","110.332","0.001","1575.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H52 N2 Pt Sn -","- C25 H52 N2 Pt Sn -","- C50 H104 N4 Pt2 Sn2 -","2","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.0319","0.0295","","","0.0984","0.0997","","","","","","1.106","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344831","11.9259","0.0005","13.905","0.0006","26.0856","0.001","90","","90","","90","","4325.8","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H74 N2 O Pt Sn2 -","- C36 H74 N2 O Pt Sn2 -","- C144 H296 N8 O4 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.05","0.0325","","","0.0629","0.0685","","","","","","1.005","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344832","31.1408","0.0015","12.9786","0.0006","28.8175","0.0014","90","","100.788","0.0014","90","","11441.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H75 N32 O18 Ru3 -","- C102 H75 N32 O18 Ru3 -","- C408 H300 N128 O72 Ru12 -","4","1","","Chowdhury, Bijit; Dutta, Ranjan; Khatua, Snehadrinarayan; Ghosh, Pradyut","A Cyanuric Acid Platform Based Tripodal Bis-heteroleptic Ru(II) Complex of Click Generated Ligand for Selective Sensing of Phosphates via C-H···Anion Interaction.","Inorganic chemistry","2015","55","1","259","","10.1021/acs.inorgchem.5b02243","","","0.71073","MoKα","","0.1174","0.0941","","","0.2688","0.2886","","","","","","1.04","","","","has coordinates,has disorder","175661","2020-10-21","18:00:00",""
"4344833","4.7091","0.0019","7.599","0.002","18.744","0.006","90","","90","","90","","670.7","0.4","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- B3 H12 K N2 -","- B3 H12 K N2 -","- B12 H48 K4 N8 -","4","0.25","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0404","0.0396","","0.0463","0.0462","","","","2.32","","","","","","","has coordinates","175662","2020-10-21","18:00:00",""
"4344834","10.2994","0.0007","16.7354","0.0011","17.2881","0.0011","109.271","0.002","106.083","0.002","96.18","0.002","2636.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H52 B3 N6 P -","- C18 H52 B3 N6 P -","- C72 H208 B12 N24 P4 -","4","2","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","","","0.71073","MoKα","","0.0534","0.0381","","","0.0876","0.0958","","","","","","1.034","","","","has coordinates","175663","2020-10-21","18:00:00",""
"4344835","18.89","0.004","9.6485","0.0018","8.1285","0.0016","90","","90","","90","","1481.5","0.5","298","","298","","","","","","","","","4","P n c n","-P 2ab 2n","52","","","","- B3 Cs H12 N2 -","- B3 Cs H12 N2 -","- B24 Cs8 H96 N16 -","8","1","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0669","0.0641","","0.061","0.0603","","","","1.99","","","","","","","has coordinates","175664","2020-10-21","18:00:00",""
"4344836","7.5748","0.0012","4.7269","0.0007","19.629","0.003","90","","97.304","0.005","90","","697.12","0.19","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 H12 N2 Rb -","- B3 H12 N2 Rb -","- B12 H48 N8 Rb4 -","4","1","","Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech","Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.","Inorganic chemistry","2015","55","1","37","","10.1021/acs.inorgchem.5b01688","powder diffraction","x-ray","1.5418","CuKα","","0.0294","0.0294","","0.0326","0.0326","","","","1.18","","","","","","","has coordinates","175665","2020-10-21","18:00:00",""
"4344837","18.154","0.0012","21.3364","0.0012","19.1704","0.0012","90","","114.733","0.003","90","","6744.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F12 N6 P2 Ru -","- C23 H22 F12 N8 P2 Ru -","- C184 H176 F96 N64 P16 Ru8 -","8","2","","Li, Ao; White, Jessica K.; Arora, Karan; Herroon, Mackenzie K.; Martin, Philip D.; Schlegel, H. Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.","Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.","Inorganic chemistry","2015","55","1","10","","10.1021/acs.inorgchem.5b02600","","","0.71073","MoKα","","0.1298","0.1122","","","0.2984","0.3163","","","","","","1.045","","","","has coordinates","175666","2020-10-21","18:00:00",""
"4344838","17.5692","0.0011","9.9426","0.0006","18.2432","0.0012","90","","93.013","0.004","90","","3182.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F12 N6 P2 Ru -","- C28 H28 F12 N6 P2 Ru -","- C112 H112 F48 N24 P8 Ru4 -","4","1","","Li, Ao; White, Jessica K.; Arora, Karan; Herroon, Mackenzie K.; Martin, Philip D.; Schlegel, H. Bernhard; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.","Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light.","Inorganic chemistry","2015","55","1","10","","10.1021/acs.inorgchem.5b02600","","","0.71073","MoKα","","0.0359","0.0282","","","0.0606","0.0644","","","","","","1.023","","","","has coordinates","175667","2020-10-21","18:00:00",""
"4344839","13.9585","0.0004","13.9585","0.0004","20.0529","0.0008","90","","90","","90","","3907.1","0.2","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cl Cu4 N15 O21 -","- C36 H24 Cl Cu4 N15 O21 -","- C72 H48 Cl2 Cu8 N30 O42 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0527","0.0494","","","0.1432","0.1461","","","","","","1.079","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344840","14.2066","0.0002","14.2066","0.0002","19.8137","0.0004","90","","90","","90","","3998.95","0.11","150","","150","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C36 H24 Cl4 Cu4 N12 O24 -","- C36 H24 Cl4 Cu4 N12 O24 -","- C72 H48 Cl8 Cu8 N24 O48 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0982","0.0966","","","0.2861","0.2886","","","","","","1.079","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344841","14.1125","0.0005","14.1125","0.0005","19.8583","0.0007","90","","90","","90","","3955","0.2","150","","150","","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C72 H48 B6 Cl2 Cu8 F24 N24 O24 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","","1.54184","CuKα","","0.0808","0.0677","","","0.192","0.2068","","","","","","1.081","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344842","14.1245","0.0007","14.1245","0.0007","19.9049","0.001","90","","90","","90","","3971.1","0.3","221","100","221","100","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C36 H24 B3 Cl Cu4 F12 N12 O12 -","- C72 H48 B6 Cl2 Cu8 F24 N24 O24 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","x-ray","1.54184","CuKα","","0.1215","0.1123","","","0.3262","0.3538","","","","","","1.061","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344843","14.0241","0.0007","14.0241","0.0007","19.9373","0.0011","90","","90","","90","","3921.2","0.4","100","","100","","","","","","","","","8","I 4/m m m","-I 4 2","139","","","","- C36.94 H24 B3 Cl Cu4 F12 N12 O13.87 -","- C36.9338 H24 B3 Cl Cu4 F12 N12 O13.868 -","- C73.8676 H48 B6 Cl2 Cu8 F24 N24 O27.736 -","2","0.0625","","Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.","Inorganic chemistry","2015","55","1","292","","10.1021/acs.inorgchem.5b02316","","x-ray","1.54184","CuKα","","0.1066","0.0936","","","0.2499","0.2703","","","","","","1.087","","","","has coordinates,has disorder","175668","2020-10-21","18:00:00",""
"4344844","16.869","0.002","11.9137","0.0008","33.174","0.003","90","","90.995","0.008","90","","6666","1.1","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Ru Cl I N4 C16 H36","","","- C27 H44 Cl2 N4 Ru -","- C27 H44 Cl2 N4 Ru -","- C216 H352 Cl16 N32 Ru8 -","8","2","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.1563","0.0806","","","0.1675","0.212","","","","","","1.048","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344845","11.7096","0.0011","11.7096","0.0011","13.787","0.0017","90","0.01","90","","90","","1890.4","0.3","200","2","200","2","","","","","","","synthesis as described","6","P 42/m n m","-P 4n 2n","136","","","","- C20 H36 Cl2 I4 N4 Ru -","- C20 H36 Cl2 I4 N4 Ru -","- C40 H72 Cl4 I8 N8 Ru2 -","2","0.125","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.0849","0.0645","","","0.1863","0.2134","","","","","","1.137","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344846","11.377","0.001","15.197","0.001","18.484","0.003","90","","106.64","0.02","90","","3062","0.7","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I4 N4 Ru -","- C20 H36 I4 N4 Ru -","- C80 H144 I16 N16 Ru4 -","4","0.5","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.0692","0.04","","","0.089","0.1011","","","","","","1.021","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344847","22.735","0.003","14.945","0.002","11.6353","0.0012","90","","90","","90","","3953.4","0.8","200","2","200","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C20 H36 Cl I7 N4 Ru -","- C20 H36 Cl I7 N4 Ru -","- C80 H144 Cl4 I28 N16 Ru4 -","4","0.5","","Mosquera, Marta E. G.; Gomez-Sal, Pilar; Diaz, Isabel; Aguirre, Lina M.; Ienco, A.; Manca, Gabriele; Mealli, Carlo","Intriguing I2 Reduction in the Iodide for Chloride Ligand Substitution at a Ru(II) Complex: Role of Mixed Trihalides in the Redox Mechanism.","Inorganic chemistry","2015","55","1","283","","10.1021/acs.inorgchem.5b02307","","x-ray","0.71073","MoKα","","0.159","0.1302","","","0.3223","0.3422","","","","","","0.938","","","","has coordinates","175669","2020-10-21","18:00:00",""
"4344848","10.682","0.0009","7.9377","0.0005","10.7804","0.0009","90","","102.837","0.007","90","","891.23","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole Monohydrate","","- C7 H11 N5 O -","- C7 H11 N5 O -","- C28 H44 N20 O4 -","4","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0436","0.0374","","","0.0998","0.1036","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344849","15.6052","0.001","7.1386","0.0004","19.6934","0.0017","90","","90","","90","","2193.8","0.3","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)-sulfato- copper(II)] Trihydrate","","- C14 H24 Cu N10 O7 S -","- C14 H20 Cu N10 O7 S -","- C56 H80 Cu4 N40 O28 S4 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0759","0.0521","","","0.1102","0.1144","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344850","8.8328","0.0008","7.572","0.0008","11.472","0.001","90","","90.605","0.004","90","","767.23","0.13","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","poly-[(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) trimolybdate(VI)]","","- C7 H9 Cu Mo3 N5 O10 -","- C7 H9 Cu Mo3 N5 O10 -","- C14 H18 Cu2 Mo6 N10 O20 -","2","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0447","0.0341","","","0.0689","0.0733","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344851","10.7634","0.0008","12.7047","0.0011","24.903","0.002","85.739","0.007","83.475","0.007","69.563","0.006","3168.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","poly-[tetrakis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)- tetrahydroxido-tetracopper(II) octamolybdate(VI) Hexahydrate]","","- C28 H52 Cu4 Mo8 N20 O36 -","- C28 H40 Cu4 Mo8 N20 O30 -","- C56 H80 Cu8 Mo16 N40 O60 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.1425","0.0664","","","0.1617","0.1851","","","","","","0.871","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344852","7.7513","0.0009","8.1832","0.0008","10.4169","0.0011","74.226","0.01","89.356","0.009","79.982","0.01","625.72","0.12","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","poly-[bis-(4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole)copper(II) tetramolybdate(VI)]","","- C14 H18 Cu Mo4 N10 O13 -","- C14 H18 Cu Mo4 N10 O13 -","- C14 H18 Cu Mo4 N10 O13 -","1","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0223","0.0165","","","0.035","0.0355","","","","","","0.919","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4344853","7.3278","0.0009","8.2854","0.001","12.8319","0.0011","76.813","0.01","85.869","0.011","64.911","0.01","686.69","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","poly[di-μ-oxido-[4-(3,5-Dimethylpyrazol-4-yl)-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)] Monohydrate","","- C7 H11 Mo2 N5 O7 -","- C7 H11 Mo2 N5 O7 -","- C14 H22 Mo4 N10 O14 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lukashuk, Liliana V.; Domasevitch, Konstantin V.; Handke, Marcel; Lincke, Jörg; Krautscheid, Harald; Rusanov, Eduard B.; Krämer, Karl W; Decurtins, Silvio; Liu, Shi-Xia","Composition Space Analysis in the Development of Copper Molybdate Hybrids Decorated by a Bifunctional Pyrazolyl/1,2,4-Triazole Ligand.","Inorganic chemistry","2015","55","1","239","","10.1021/acs.inorgchem.5b02188","","","0.71073","MoKα","","0.0365","0.0319","","","0.0815","0.0832","","","","","","1.001","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4344854","8.5488","0.0007","11.1202","0.0009","12.2436","0.001","111.443","0.003","107.668","0.003","97.411","0.003","993.77","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H27 Cu2 N2 O9 -","- C13 H27 Cu2 N2 O9 -","- C26 H54 Cu4 N4 O18 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.1674","0.0593","","","0.1008","0.13","","","","","","1.001","","","","has coordinates","175671","2020-10-21","18:00:00",""
"4344855","10.9067","0.0011","11.08","0.0012","11.1272","0.0012","83.799","0.004","85.737","0.004","65.227","0.004","1213.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cu N2 O7 -","- C23 H28 Cu N2 O7 -","- C46 H56 Cu2 N4 O14 -","2","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.083","0.0439","","","0.0852","0.0973","","","","","","1.056","","","","has coordinates","175672","2020-10-21","18:00:00",""
"4344856","13.0515","0.0012","14.515","0.0014","12.6791","0.0012","90","","100.52","0.003","90","","2361.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cu2 N2 O10 -","- C17 H33 Cu2 N2 O10 -","- C68 H132 Cu8 N8 O40 -","4","1","","Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Kłak, Julia; Kirillova, Marina V.; Kirillov, Alexander M.","Copper(II) Coordination Polymers Self-Assembled from Aminoalcohols and Pyromellitic Acid: Highly Active Precatalysts for the Mild Water-Promoted Oxidation of Alkanes.","Inorganic chemistry","2015","55","1","125","","10.1021/acs.inorgchem.5b01983","","","0.71069","MoKα","","0.1595","0.0933","","","0.224","0.2662","","","","","","1.041","","","","has coordinates,has disorder","175673","2020-10-21","18:00:00",""
"4344857","10.1428","0.0004","20.7513","0.0007","19.0268","0.0007","90","","96.184","0.001","90","","3981.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H50 B N O S -","- C49 H50 B N O S -","- C196 H200 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0884","0.0471","","","0.0899","0.1028","","","","","","1.032","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344858","14.2991","0.0014","12.7396","0.0008","24.5379","0.0014","90","","90.621","0.002","90","","4469.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 B N2 O2 S2 -","- C50 H39 B N2 O2 S2 -","- C200 H156 B4 N8 O8 S8 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0864","0.0603","","","0.1362","0.149","","","","","","1.105","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344859","11.6797","0.0007","18.297","0.0011","15.5052","0.0009","90","","103.348","0.002","90","","3224","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 B N O S -","- C42 H32 B N O S -","- C168 H128 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0977","0.0513","","","0.0961","0.1116","","","","","","1.025","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344860","11.3069","0.0006","13.0277","0.0007","14.2497","0.0007","114.712","0.001","102.503","0.002","100.597","0.002","1770.23","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 B F3 N S -","- C42 H29 B F3 N S -","- C84 H58 B2 F6 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0633","0.0498","","","0.1274","0.1349","","","","","","1.034","","","","has coordinates,has disorder","175674","2020-10-21","18:00:00",""
"4344861","11.7579","0.0007","12.1395","0.0006","12.2158","0.0006","108.997","0.001","99.954","0.002","93.233","0.002","1611.91","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B N S -","- C42 H32 B N S -","- C84 H64 B2 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0563","0.041","","","0.0951","0.1025","","","","","","1.028","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344862","12.1437","0.0009","17.6125","0.0011","19.737","0.0014","90","","99.766","0.002","90","","4160.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 B N2 S -","- C54 H45 B N2 S -","- C216 H180 B4 N8 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.1031","0.0626","","","0.1353","0.16","","","","","","1.092","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344863","17.5032","0.0015","10.1762","0.0008","20.352","0.0017","90","","114.393","0.003","90","","3301.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 B N O S -","- C42 H32 B N O S -","- C168 H128 B4 N4 O4 S4 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0805","0.0537","","","0.1266","0.1411","","","","","","1.04","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344864","11.3089","0.0009","11.4503","0.0009","11.6477","0.001","112.556","0.003","95.018","0.003","93.089","0.003","1381.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 B N S -","- C36 H28 B N S -","- C72 H56 B2 N2 S2 -","2","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.106","0.0536","","","0.1121","0.131","","","","","","1.007","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4344865","14.1946","0.0006","12.7101","0.0006","24.2388","0.001","90","","90.392","0.002","90","","4372.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 B N2 O S2 -","- C50 H39 B N2 O S2 -","- C200 H156 B4 N8 O4 S8 -","4","1","","Huang, Kexuan; Martin, Caleb D.","Peculiar Reactivity of Isothiocyanates with Pentaphenylborole.","Inorganic chemistry","2015","55","1","330","","10.1021/acs.inorgchem.5b02469","","","0.71073","MoKα","","0.0877","0.0606","","","0.1385","0.1485","","","","","","1.116","","","","has coordinates","175674","2020-10-21","18:00:00",""
"4345986","15.379","0.003","12.637","0.002","21.406","0.004","90","","100.804","0.004","90","","4086.4","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H56 Cl4 N12 O9 Zn4 -","- C88 H56 Cl4 N12 O9 Zn4 -","- C176 H112 Cl8 N24 O18 Zn8 -","2","0.5","","Yuan, Fei; An, Ran; Hu, Huai-Ming; Shen, Sa-Sa; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of two new two-fold interpenetrating 2D coordination polymers based on 4′-(4-carboxyphenyl)-4,2′:6′,4″-terpyridine","Inorganic Chemistry Communications","2015","56","","1","","10.1016/j.inoche.2015.03.031","","","0.71073","MoKα","","0.1596","0.0867","","","0.2019","0.2466","","","","","","1.018","","","","has coordinates","212197","2020-10-21","18:00:00",""
"4345987","15.265","0.002","15.593","0.002","16.937","0.002","88.974","0.003","72.615","0.002","84.665","0.003","3830.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Cd N6 O5.75 -","- C44 H28 Cd N6 O5.75 -","- C176 H112 Cd4 N24 O23 -","4","2","","Yuan, Fei; An, Ran; Hu, Huai-Ming; Shen, Sa-Sa; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, structures and luminescent properties of two new two-fold interpenetrating 2D coordination polymers based on 4′-(4-carboxyphenyl)-4,2′:6′,4″-terpyridine","Inorganic Chemistry Communications","2015","56","","1","","10.1016/j.inoche.2015.03.031","","","0.71073","MoKα","","0.1528","0.0751","","","0.1218","0.1451","","","","","","0.994","","","","has coordinates","212198","2020-10-21","18:00:00",""
"4345988","5.6999","","5.8758","","8.0662","","88.8726","","87.4304","","90.2408","","269.822","","300","","300","","","","","","","","","3","P 1","P 1","1","","","","- Cu H O -","- Cu H O -","- Cu8 H8 O8 -","8","8","","Li, Yunguo; Lousada, Cláudio M; Soroka, Inna L; Korzhavyi, Pavel A","Bond network topology and antiferroelectric order in cuprice CuOH.","Inorganic chemistry","2015","54","18","8969","8977","10.1021/acs.inorgchem.5b01030","","","1.54","CuKα","","","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4346015","10.3874","0.0009","13.6874","0.0014","18.2792","0.0016","108.18","0.003","91.595","0.003","96.568","0.003","2447.4","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Cl2.5 F2 N3 O P3.5 -","- C54 H54 Cl2.6 F2 N3 O1.2 P3.6 -","- C108 H108 Cl5.2 F4 N6 O2.4 P7.2 -","2","1","","Loh, Ying Kai; Gurnani, Chitra; Ganguly, Rakesh; Vidović, Dragoslav","A dicationic iminophosphane.","Inorganic chemistry","2015","54","7","3087","3089","10.1021/acs.inorgchem.5b00003","","","0.71073","MoKα","","0.1635","0.0822","","","0.2124","0.2732","","","","","","0.997","","","","has coordinates,has disorder","231581","2020-10-21","18:00:00",""
"4346016","11.8727","0.0006","19.4927","0.0008","25.2042","0.0013","90","","91.183","0.003","90","","5831.8","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C207 H224 Cl18 F48 N12 P12 Sb8 -","- C207 H224 Cl18 F48 N12 P12 Sb8 -","- C207 H224 Cl18 F48 N12 P12 Sb8 -","1","0.25","","Loh, Ying Kai; Gurnani, Chitra; Ganguly, Rakesh; Vidović, Dragoslav","A dicationic iminophosphane.","Inorganic chemistry","2015","54","7","3087","3089","10.1021/acs.inorgchem.5b00003","","","0.71073","MoKα","","0.1387","0.0564","","","0.1033","0.1328","","","","","","1.036","","","","has coordinates,has disorder","231582","2020-10-21","18:00:00",""
"4346017","11.3404","0.0002","29.1741","0.0007","14.8727","0.0003","90","","92.023","0.002","90","","4917.51","0.18","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C43 H51 N4 O24 Zn2 -","- C43 H33 N4 O15 Zn2 -","- C172 H132 N16 O60 Zn8 -","4","0.5","","Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie","Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response.","Inorganic chemistry","2015","54","7","3456","3461","10.1021/acs.inorgchem.5b00023","","","1.54178","CuKα","","0.0548","0.0512","","","0.1205","0.1233","","","","","","1.017","","","","has coordinates,has disorder","231583","2020-10-21","18:00:00",""
"4346018","11.1231","0.0001","29.0062","0.0004","14.7756","0.0002","90","","91.543","0.001","90","","4765.45","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 N4 O24 Zn2 -","- C43 H33 N4 O22.25 Zn2 -","- C172 H132 N16 O89 Zn8 -","4","1","","Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie","Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response.","Inorganic chemistry","2015","54","7","3456","3461","10.1021/acs.inorgchem.5b00023","","","1.54178","CuKα","","0.0528","0.0464","","","0.1327","0.1381","","","","","","1.007","","","","has coordinates","231583","2020-10-21","18:00:00",""
"4346019","11.3257","0.0004","29.3273","0.0013","14.7879","0.0007","90","","91.693","0.003","90","","4909.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H57 N8 O21 Zn2 -","- C43 H27 N5.5 O20.5 Zn2 -","- C172 H108 N22 O82 Zn8 -","4","1","","Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie","Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response.","Inorganic chemistry","2015","54","7","3456","3461","10.1021/acs.inorgchem.5b00023","","","1.54178","CuKα","","0.1518","0.1241","","","0.2363","0.2483","","","","","","1.037","","","","has coordinates,has disorder","231583","2020-10-21","18:00:00",""
"4346020","18.4659","0.0005","16.3855","0.0004","25.4416","0.0007","90","","132.218","0.002","90","","5701","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C182 H218 Cl6 Dy8 N16 O42 -","- C182 H218 Cl6 Dy8 N16 O42 -","- C182 H218 Cl6 Dy8 N16 O42 -","1","0.25","","Luan, Fang; Liu, Tianqi; Yan, Pengfei; Zou, Xiaoyan; Li, Yuxin; Li, Guangming","Single-molecule magnet of a tetranuclear dysprosium complex disturbed by a salen-type ligand and chloride counterions.","Inorganic chemistry","2015","54","7","3485","3490","10.1021/acs.inorgchem.5b00061","","","0.71073","MoKα","","0.0895","0.0529","","","0.1534","0.1752","","","","","","1.058","","","","has coordinates","231584","2020-10-21","18:00:00",""
"4346021","17.8721","0.0004","16.5942","0.0004","24.4103","0.0006","90","","130.183","0.001","90","","5530.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H120 Cl12 N8 O23 Tb4 -","- C97 H120 Cl12 N8 O23 Tb4 -","- C194 H240 Cl24 N16 O46 Tb8 -","2","0.5","","Luan, Fang; Liu, Tianqi; Yan, Pengfei; Zou, Xiaoyan; Li, Yuxin; Li, Guangming","Single-molecule magnet of a tetranuclear dysprosium complex disturbed by a salen-type ligand and chloride counterions.","Inorganic chemistry","2015","54","7","3485","3490","10.1021/acs.inorgchem.5b00061","","","0.71073","MoKα","","0.0716","0.0514","","","0.1285","0.1434","","","","","","1.041","","","","has coordinates","231584","2020-10-21","18:00:00",""
"4346022","17.8921","0.0005","16.5528","0.0004","24.4805","0.0006","90","","130.332","0.002","90","","5526.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H120 Cl12 Ho4 N8 O23 -","- C97 H120 Cl12 Ho4 N8 O23 -","- C194 H240 Cl24 Ho8 N16 O46 -","2","0.5","","Luan, Fang; Liu, Tianqi; Yan, Pengfei; Zou, Xiaoyan; Li, Yuxin; Li, Guangming","Single-molecule magnet of a tetranuclear dysprosium complex disturbed by a salen-type ligand and chloride counterions.","Inorganic chemistry","2015","54","7","3485","3490","10.1021/acs.inorgchem.5b00061","","","0.71073","MoKα","","0.0785","0.0549","","","0.1359","0.1544","","","","","","1.048","","","","has coordinates","231584","2020-10-21","18:00:00",""
"4346023","16.0077","0.0005","19.5713","0.0007","19.0271","0.0006","90","","96.5736","0.0018","90","","5921.8","0.3","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C108 H98 As4 B8 F16 N6 O20 P8 Pt2 -","- C108 H98 As4 B8 F16 N6 O20 P8 Pt2 -","- C216 H196 As8 B16 F32 N12 O40 P16 Pt4 -","2","0.5","","Záliš, Stanislav; Lam, Yan-Choi; Gray, Harry B.; Vlček, Antonín","Spin-orbit TDDFT electronic structure of diplatinum(II,II) complexes.","Inorganic chemistry","2015","54","7","3491","3500","10.1021/acs.inorgchem.5b00063","","","0.71073","MoKα","","0.0403","0.0245","","","0.0492","0.0529","","","","","","1.005","","","","has coordinates","231585","2020-10-21","18:00:00",""
"4346024","9.0777","0.0017","26.614","0.005","13.759","0.003","90","","92.21","0.009","90","","3321.6","1.1","110","2","110.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B F4 Fe2 N3 O5 S2 -","- C28 H30 B F4 Fe2 N3 O5 S2 -","- C112 H120 B4 F16 Fe8 N12 O20 S8 -","4","1","","Bethel, Ryan D.; Crouthers, Danielle J.; Hsieh, Chung-Hung; Denny, Jason A.; Hall, Michael B.; Darensbourg, Marcetta Y.","Regioselectivity in ligand substitution reactions on diiron complexes governed by nucleophilic and electrophilic ligand properties.","Inorganic chemistry","2015","54","7","3523","3535","10.1021/acs.inorgchem.5b00072","","","0.71073","MoKα","","0.0816","0.0608","","","0.1526","0.1682","","","","","","1.053","","","","has coordinates,has disorder","231586","2020-10-21","18:00:00",""
"4346025","6.693","0.008","16.711","0.019","18.04","0.02","90","","96.305","0.015","90","","2006","4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B F4 Fe2 N3 O5 S2 -","- C12 H14 B F4 Fe2 N3 O5 S2 -","- C48 H56 B4 F16 Fe8 N12 O20 S8 -","4","1","","Bethel, Ryan D.; Crouthers, Danielle J.; Hsieh, Chung-Hung; Denny, Jason A.; Hall, Michael B.; Darensbourg, Marcetta Y.","Regioselectivity in ligand substitution reactions on diiron complexes governed by nucleophilic and electrophilic ligand properties.","Inorganic chemistry","2015","54","7","3523","3535","10.1021/acs.inorgchem.5b00072","","","0.71073","MoKα","","0.0655","0.0445","","","0.1076","0.12","","","","","","0.96","","","","has coordinates","231586","2020-10-21","18:00:00",""
"4346026","8.344","0.007","8.755","0.007","13.346","0.011","90.909","0.01","90.561","0.01","118.104","0.009","859.7","1.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Fe2 N4 O4 S2 -","- C12 H14 Fe2 N4 O4 S2 -","- C24 H28 Fe4 N8 O8 S4 -","2","1","","Bethel, Ryan D.; Crouthers, Danielle J.; Hsieh, Chung-Hung; Denny, Jason A.; Hall, Michael B.; Darensbourg, Marcetta Y.","Regioselectivity in ligand substitution reactions on diiron complexes governed by nucleophilic and electrophilic ligand properties.","Inorganic chemistry","2015","54","7","3523","3535","10.1021/acs.inorgchem.5b00072","","","0.71073","MoKα","","0.058","0.0439","","","0.102","0.1086","","","","","","0.963","","","","has coordinates","231586","2020-10-21","18:00:00",""
"4346027","15.5833","0.001","15.8471","0.001","17.7406","0.0011","85.662","0.003","65.355","0.003","78.491","0.003","3901.8","0.4","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C14.66667 H24.33333 B Cl1.33333 F4 Fe2 N3 O4 P S2 -","- C14.6667 H24.3333 B Cl1.33333 F4 Fe2 N3 O4 P S2 -","- C88 H146 B6 Cl8 F24 Fe12 N18 O24 P6 S12 -","6","3","","Bethel, Ryan D.; Crouthers, Danielle J.; Hsieh, Chung-Hung; Denny, Jason A.; Hall, Michael B.; Darensbourg, Marcetta Y.","Regioselectivity in ligand substitution reactions on diiron complexes governed by nucleophilic and electrophilic ligand properties.","Inorganic chemistry","2015","54","7","3523","3535","10.1021/acs.inorgchem.5b00072","","","0.71073","MoKα","","0.0851","0.0539","","","0.1427","0.1696","","","","","","1.03","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346028","15.666","0.007","11.991","0.006","19.609","0.009","90","","104.67","0.005","90","","3563","3","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 B F4 Fe2 N3 O4 P S2 -","- C30 H39 B F4 Fe2 N3 O4 P S2 -","- C120 H156 B4 F16 Fe8 N12 O16 P4 S8 -","4","1","","Bethel, Ryan D.; Crouthers, Danielle J.; Hsieh, Chung-Hung; Denny, Jason A.; Hall, Michael B.; Darensbourg, Marcetta Y.","Regioselectivity in ligand substitution reactions on diiron complexes governed by nucleophilic and electrophilic ligand properties.","Inorganic chemistry","2015","54","7","3523","3535","10.1021/acs.inorgchem.5b00072","","","0.71073","MoKα","","0.2111","0.0739","","","0.1432","0.1947","","","","","","0.933","","","","has coordinates","231586","2020-10-21","18:00:00",""
"4346029","14.0296","0.0004","23.8117","0.0007","18.3099","0.0005","90","","100.04","","90","","6023.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Er48 O244 S28 -","- C28 H56 Er48 O241.28 S28 -","- C28 H56 Er48 O241.28 S28 -","1","0.25","","Sergo, Kevin M.; Han, Cari S.; Bresler, Marc R.; Citrak, Susan C.; Abdollahian, Yashar; Fei, Honghan; Oliver, Scott R. J.","Erbium hydroxide ethanedisulfonate: a cationic layered material with organic anion exchange capability.","Inorganic chemistry","2015","54","8","3883","3888","10.1021/acs.inorgchem.5b00073","","","0.71073","MoKα","","0.0467","0.0319","","","0.0655","0.072","","","","","","1.03","","","","has coordinates","231587","2020-10-21","18:00:00",""
"4346030","17.687","0.002","7.2468","0.0007","11.5369","0.001","90","","108.467","0.011","90","","1402.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H13 Cl Co N3 O4.5 -","- C10 H13 Cl Co N3 O4.66 -","- C40 H52 Cl4 Co4 N12 O18.64 -","4","0.5","","Chen, Di-Ming; Ma, Xiao-Zhou; Zhang, Xue-Jing; Xu, Na; Cheng, Peng","Switching a 2D Co(II) layer to a 3D Co7-cluster-based metal-organic framework: syntheses, crystal structures, and magnetic properties.","Inorganic chemistry","2015","54","6","2976","2982","10.1021/acs.inorgchem.5b00074","","","0.71073","MoKα","","0.0928","0.0637","","","0.1564","0.1744","","","","","","1.055","","","","has coordinates,has disorder","231588","2020-10-21","18:00:00",""
"4346031","11.4105","0.0009","6.957","0.0003","15.5927","0.0009","90","","95.977","0.006","90","","1231.06","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Co N3 O5 -","- C10 H13 Co N3 O5 -","- C40 H52 Co4 N12 O20 -","4","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Zhang, Xue-Jing; Xu, Na; Cheng, Peng","Switching a 2D Co(II) layer to a 3D Co7-cluster-based metal-organic framework: syntheses, crystal structures, and magnetic properties.","Inorganic chemistry","2015","54","6","2976","2982","10.1021/acs.inorgchem.5b00074","","","0.71073","MoKα","","0.0723","0.0545","","","0.1308","0.1498","","","","","","1.052","","","","has coordinates","231588","2020-10-21","18:00:00",""
"4346032","14.443","0.0007","22.1987","0.0013","17.7628","0.0012","90","","103.975","0.006","90","","5526.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H105 Co7 N27 O32 -","- C80 H78 Co7 N24 O26 -","- C160 H156 Co14 N48 O52 -","2","0.5","","Chen, Di-Ming; Ma, Xiao-Zhou; Zhang, Xue-Jing; Xu, Na; Cheng, Peng","Switching a 2D Co(II) layer to a 3D Co7-cluster-based metal-organic framework: syntheses, crystal structures, and magnetic properties.","Inorganic chemistry","2015","54","6","2976","2982","10.1021/acs.inorgchem.5b00074","","","0.71073","MoKα","","0.0717","0.0587","","","0.1728","0.1818","","","","","","1.08","","","","has coordinates","231588","2020-10-21","18:00:00",""
"4346033","19.9667","0.0018","13.528","0.0012","19.2161","0.0017","90","","118.476","0.002","90","","4562.5","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 O16 Re4 Sb2 -","- C40 H22 O16 Re4 Sb2 -","- C160 H88 O64 Re16 Sb8 -","4","0.5","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.034","0.0247","","","0.0465","0.0493","","","","","","1.044","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346034","10.8973","0.0015","11.0822","0.0015","22.043","0.003","94.339","0.002","91.57","0.003","114.493","0.002","2410.5","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H22 O16 P0 Pd2 Re4 Sb2 -","- C40 H22 O16 Pd2 Re4 Sb2 -","- C80 H44 O32 Pd4 Re8 Sb4 -","2","1","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.1389","0.0667","","","0.1372","0.1664","","","","","","0.965","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346035","35.2421","0.0015","52.7954","0.0019","10.2274","0.0004","90","","90","","90","","19029.3","1.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C43 H25 O16 Pd0.5 Re4 Sb2 -","- C43 H25 O16 Pd0.511 Re4 Sb2 -","- C688 H400 O256 Pd8.176 Re64 Sb32 -","16","1","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0446","0.0356","","","0.066","0.0692","","","","","","1.037","","","","has coordinates,has disorder","231589","2020-10-21","18:00:00",""
"4346036","13.6204","0.0008","19.0089","0.0012","20.2437","0.0013","99.87","0.001","106.934","0.001","109.933","0.001","4495","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 O12 Re3 Sb -","- C24 H12 O12 Re3 Sb -","- C144 H72 O72 Re18 Sb6 -","6","3","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0685","0.0407","","","0.0952","0.1123","","","","","","1.047","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346037","16.0769","0.0007","17.2298","0.0007","18.7642","0.0008","100.11","0.001","107.714","0.001","117.632","0.001","4066.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H21 O12 Re3 Sb2 -","- C36 H21 O12 Re3 Sb2 -","- C144 H84 O48 Re12 Sb8 -","4","2","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0828","0.0486","","","0.0806","0.092","","","","","","1.017","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346038","10.3134","0.0005","14.3792","0.0007","18.3407","0.0009","90","","90.571","0.001","90","","2719.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H6 O13 Re3 Sb -","- C19 H6 O13 Re3 Sb -","- C76 H24 O52 Re12 Sb4 -","4","1","","Adams, Richard D.; Pearl, Jr, William C; Wong, Yuen Onn; Hall, Michael B.; Walensky, Justin R.","Host-guest behavior of a heavy-atom heterocycle Re4(CO)16(μ-SbPh2)2(μ-H)2 obtained from a palladium-assisted ring opening dimerization of Re2(CO)8(μ-SbPh2)(μ-H).","Inorganic chemistry","2015","54","7","3536","3544","10.1021/acs.inorgchem.5b00080","","","0.71073","MoKα","","0.0536","0.04","","","0.0933","0.1069","","","","","","1.213","","","","has coordinates","231589","2020-10-21","18:00:00",""
"4346039","12.9544","0.0004","17.2117","0.0005","19.2876","0.0008","90","","108.421","0.004","90","","4080.1","0.3","123","2","123","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H56 Ge2 N4 O3 Ru -","- C37 H56 Ge2 N4 O3 Ru -","- C148 H224 Ge8 N16 O12 Ru4 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","1.5418","CuKα","","0.0407","0.033","","","0.087","0.0933","","","","","","1.06","","","","has coordinates","231590","2020-10-21","18:00:00",""
"4346040","17.3399","0.0003","9.1771","0.0002","22.6692","0.0004","90","","90","","90","","3607.35","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 Ge N2 O11 Ru3 -","- C30 H32 Ge N2 O11 Ru3 -","- C120 H128 Ge4 N8 O44 Ru12 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","0.71073","MoKα","","0.0299","0.0261","","","0.0414","0.0429","","","","","","1.005","","","","has coordinates","231590","2020-10-21","18:00:00",""
"4346041","15.6511","0.0002","17.8306","0.0002","26.7297","0.0004","90","","90","","90","","7459.42","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 Ge3 N6 O9 Ru3 -","- C67 H92 Ge3 N6 O9 Ru3 -","- C268 H368 Ge12 N24 O36 Ru12 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","1.5418","CuKα","","0.0329","0.0287","","","0.0655","0.0685","","","","","","1.025","","","","has coordinates,has disorder","231590","2020-10-21","18:00:00",""
"4346042","9.3494","0.0001","17.8506","0.0002","16.5316","0.0002","90","","90.475","0.001","90","","2758.9","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ge N2 O7 Ru2 -","- C24 H28 Ge N2 O7 Ru2 -","- C96 H112 Ge4 N8 O28 Ru8 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","1.5418","CuKα","","0.0378","0.0285","","","0.0671","0.0729","","","","","","1.019","","","","has coordinates","231590","2020-10-21","18:00:00",""
"4346043","26.0483","0.0007","26.0483","0.0007","26.0483","0.0007","90","","90","","90","","17674.1","0.8","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.22(CuCl2)5.22(CH3CN)10.56","","","- C83.76 H65.17 Cl10.44 Cu5.22 N21 O32 Zr6 -","- C83.76 H60.12 Cl10.44 Cu5.22 N21 O32 Zr6 -","- C335.04 H240.48 Cl41.76 Cu20.88 N84 O128 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0428","0.038","","","0.1134","0.1189","","","","","","1.059","","","","has coordinates,has disorder","231591","2020-10-21","18:00:00",""
"4346044","26.255","0.004","26.255","0.004","26.255","0.004","90","","90","","90","","18098","5","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.34(FeBr2)4.20(CH3CN)1.56","","","- C67.2 H40.72 Br8.4 Fe4.2 N12.24 O29.36 Zr6 -","- C67.2 H32.04 Br8.4 Fe4.2 N12.24 O29.36 Zr6 -","- C268.8 H128.16 Br33.6 Fe16.8 N48.96 O117.44 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0742","0.0683","","","0.2029","0.2074","","","","","","1.169","","","","has coordinates,has disorder","231592","2020-10-21","18:00:00",""
"4346045","26.0205","0.0007","26.0205","0.0007","26.0205","0.0007","90","","90","","90","","17617.6","0.8","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.22(Co(CO)4)5.22","","","- C83.52 H40 Cr5.22 N10.44 O52.88 Zr6 -","- C83.52 H31.32 Cr5.22 N10.44 O52.88 Zr6 -","- C334.08 H125.28 Cr20.88 N41.76 O211.52 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.8856","synchrotron","","0.0562","0.0539","","","0.1644","0.1666","","","","","","1.115","","","","has coordinates,has disorder","231593","2020-10-21","18:00:00",""
"4346046","26.149","0.0008","26.149","0.0008","26.149","0.0008","90","","90","","90","","17879.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.88(CuCl)8.34","","","- C70.56 H39.28 Cl8.34 Cu8.34 N11.76 O31.52 Zr6 -","- C70.56 H35.28 Cl8.34 Cu8.34 N11.76 O31.52 Zr6 -","- C282.24 H141.12 Cl33.36 Cu33.36 N47.04 O126.08 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0761","0.0722","","","0.2341","0.2376","","","","","","1.248","","","","has coordinates,has disorder","231594","2020-10-21","18:00:00",""
"4346047","26.0682","0.0019","26.0682","0.0019","26.0682","0.0019","90","","90","","90","","17715","2","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.4(Co(CO)4)4.95(CH3CN)0.88","","","- C86.31 H39.04 Cr4.95 N11.68 O49.38 Zr6 -","- C86.308 H32.364 Cr4.95 N11.678 O49.376 Zr6 -","- C345.232 H129.456 Cr19.8 N46.712 O197.504 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0653","0.056","","","0.1659","0.1736","","","","","","1.088","","","","has coordinates,has disorder","231595","2020-10-21","18:00:00",""
"4346048","25.624","0.003","11.6022","0.0011","14.533","0.0014","90","","97.611","0.001","90","","4282.5","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ir(dmbpydc)(COD)]BF4","","","- C22 H24 B F4 Ir N2 O4 -","- C22 H24 B F4 Ir N2 O4 -","- C176 H192 B8 F32 Ir8 N16 O32 -","8","1","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0297","0.0282","","","0.0754","0.0767","","","","","","1.04","","","","has coordinates","231596","2020-10-21","18:00:00",""
"4346049","26.52","0.002","26.52","0.002","26.52","0.002","90","","90","","90","","18652","2","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Zr6O4(OH)4(bpydc)5.16","","","- C61.92 H37.05 N10.32 O32 Zr6 -","- C61.92 H37.2 N10.32 O32 Zr6 -","- C247.68 H148.8 N41.28 O128 Zr24 -","4","0.0208333","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.71073","MoKα","","0.0396","0.0329","","","0.0984","0.0997","","","","","","1.084","","","","has coordinates,has disorder","231597","2020-10-21","18:00:00",""
"4346050","26.0729","0.0006","26.0729","0.0006","26.0729","0.0006","90","","90","","90","","17724.3","0.7","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.34(CoCl2)4.56(CH3CN)1.22","","","- C66.52 H39.7 Cl9.12 Co4.56 N11.9 O29.36 Zr6 -","- C66.52 H32.04 Cl9.12 Co4.56 N11.9 O29.36 Zr6 -","- C266.08 H128.16 Cl36.48 Co18.24 N47.6 O117.44 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","","","0.7749","synchrotron","","0.0664","0.0574","","","0.1904","0.2014","","","","","","1.097","","","","has coordinates,has disorder","231598","2020-10-21","18:00:00",""
"4346051","26.08867","0.0004","26.08867","0.0004","26.08867","0.0004","90","","90","","90","","17756.4","0.5","100","","100","","","","1","","","","synthesis","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)4.91(CuCl2)4.91","","","- C256.48 H117.936 Cl39.312 Cu19.656 N49.616 O112 Zr24 -","- C64.1328 H29.4912 Cl9.8304 Cu4.9152 N12.4064 O32 Zr6 -","- C256.531 H117.965 Cl39.3216 Cu19.6608 N49.6256 O128 Zr24 -","4","0.166667","","Gonzalez, Miguel I.; Bloch, Eric D.; Mason, Jarad A.; Teat, Simon J.; Long, Jeffrey R.","Single-crystal-to-single-crystal metalation of a metal-organic framework: a route toward structurally well-defined catalysts.","Inorganic chemistry","2015","54","6","2995","3005","10.1021/acs.inorgchem.5b00096","powder diffraction","x-ray","0.413746","synchrotron","","","","","","","","","","1.42","","","","","","","has coordinates","231599","2020-10-21","18:00:00",""
"4346052","20.1387","0.0014","20.1387","0.0014","18.49","0.003","90","","90","","120","","6494.3","1.2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H96 Ga11.8 In1.2 N15 O99 -","- Ga11.86 In1.14 N12 O84 -","- Ga35.58 In3.42 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Fast, Dylan B.; Mensinger, Zachary L.; Gatlin, Jason T.; Zakharov, Lev N.; Dolgos, Michelle R.; Johnson, Darren W.","Synthesis and solid-state structural characterization of a series of aqueous heterometallic tridecameric group 13 clusters.","Inorganic chemistry","2015","54","8","3913","3920","10.1021/acs.inorgchem.5b00097","","","0.71073","MoKα","","0.0391","0.0328","","","0.0886","0.0916","","","","","","1.055","","","","has coordinates","231600","2020-10-21","18:00:00",""
"4346053","20.2946","0.0012","20.2946","0.0012","18.456","0.002","90","","90","","120","","6583.1","0.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H96 Ga10.27 In2.73 N15 O99 -","- Ga10.384 In2.616 N12 O84 -","- Ga31.152 In7.848 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Fast, Dylan B.; Mensinger, Zachary L.; Gatlin, Jason T.; Zakharov, Lev N.; Dolgos, Michelle R.; Johnson, Darren W.","Synthesis and solid-state structural characterization of a series of aqueous heterometallic tridecameric group 13 clusters.","Inorganic chemistry","2015","54","8","3913","3920","10.1021/acs.inorgchem.5b00097","","","0.71073","MoKα","","0.0282","0.0257","","","0.0719","0.0732","","","","","","1.065","","","","has coordinates","231601","2020-10-21","18:00:00",""
"4346054","14.6907","0.001","16.9358","0.0013","29.684","0.002","90","","96.849","0.001","90","","7332.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 B2 Mn N10 -","- C91 H91 B2 Mn N10 -","- C364 H364 B8 Mn4 N40 -","4","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0731","0.0456","","","0.0956","0.1075","","","","","","1.03","","","","has coordinates","231602","2020-10-21","18:00:00",""
"4346055","13.822","0.002","14.127","0.003","22.862","0.004","74.167","0.003","85.082","0.003","84.965","0.003","4269.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H112.5 B2 Mn N11 O1.25 -","- C101 H112.5 B2 Mn N11 O1.25 -","- C202 H225 B4 Mn2 N22 O2.5 -","2","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0875","0.0636","","","0.1636","0.1794","","","","","","1.042","","","","has coordinates,has disorder","231602","2020-10-21","18:00:00",""
"4346056","21.368","0.003","13.981","0.0018","21.408","0.003","90","","112.86","0.002","90","","5893.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H75 B Mn N9 O2 -","- C68 H75 B Mn N9 O2 -","- C272 H300 B4 Mn4 N36 O8 -","4","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0618","0.0434","","","0.1028","0.1126","","","","","","1.027","","","","has coordinates","231602","2020-10-21","18:00:00",""
"4346057","18.115","0.003","13.651","0.0009","23.89","0.004","90","","93.514","0.016","90","","5896.6","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H75 B Mn N9 O S -","- C68 H75 B Mn N9 O S -","- C272 H300 B4 Mn4 N36 O4 S4 -","4","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0707","0.0525","","","0.1169","0.1255","","","","","","1.085","","","","has coordinates","231602","2020-10-21","18:00:00",""
"4346058","15.0917","0.0013","15.1271","0.0013","15.1653","0.0014","99.476","0.002","113.149","0.002","96.814","0.002","3075.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H85 B F Mn N8 O2 -","- C71 H85 B F Mn N8 O2 -","- C142 H170 B2 F2 Mn2 N16 O4 -","2","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0804","0.0577","","","0.15","0.1645","","","","","","1.043","","","","has coordinates,has disorder","231602","2020-10-21","18:00:00",""
"4346059","56.793","0.005","15.1843","0.0014","40.541","0.004","90","","128.094","0.001","90","","27514","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C164.25 H162.375 Ag B3 Mn2 N18.125 -","- C164.25 H162.375 Ag B3 Mn2 N18.125 -","- C1314 H1299 Ag8 B24 Mn16 N145 -","8","1","","Kropp, Henning; Scheurer, Andreas; Heinemann, Frank W.; Bendix, Jesper; Meyer, Karsten","Coordination-induced spin-state change in manganese(V) complexes: the electronic structure of manganese(V) nitrides.","Inorganic chemistry","2015","54","7","3562","3572","10.1021/acs.inorgchem.5b00112","","","0.71073","MoKα","","0.0691","0.0414","","","0.0863","0.0975","","","","","","1.016","","","","has coordinates,has disorder","231602","2020-10-21","18:00:00",""
"4346060","8.3518","0.0003","16.2001","0.0007","11.0557","0.0006","90","","98.357","0.002","90","","1479.95","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Fe N12 -","- C32 H22 Fe N12 -","- C64 H44 Fe2 N24 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.0421","0.0348","","","0.0921","0.0988","","","","","","1.162","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346061","8.394","0.004","16.315","0.007","11.137","0.006","90","","98.164","0.015","90","","1509.7","1.3","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Fe N12 -","- C32 H22 Fe N12 -","- C64 H44 Fe2 N24 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.1183","0.0815","","","0.1918","0.2444","","","","","","1.025","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346062","8.3756","0.0016","16.567","0.003","11.265","0.002","90","","98.606","0.003","90","","1545.5","0.5","443","2","443","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Fe N12 -","- C32 H22 Fe N12 -","- C64 H44 Fe2 N24 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.08","0.0495","","","0.1173","0.1332","","","","","","0.999","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346063","8.8578","0.0009","8.6866","0.0008","19.5719","0.0017","90","","98.141","0.003","90","","1490.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Fe N10 -","- C36 H24 Fe N10 -","- C72 H48 Fe2 N20 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.089","0.0588","","","0.1433","0.1661","","","","","","1.088","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346064","8.834","0.003","8.763","0.003","19.635","0.005","90","","98.124","0.006","90","","1504.7","0.8","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Fe N10 -","- C36 H24 Fe N10 -","- C72 H48 Fe2 N20 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.1105","0.0492","","","0.0995","0.1386","","","","","","1.064","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346065","8.6126","0.0007","8.9163","0.0008","20.0116","0.0015","90","","96.148","0.002","90","","1527.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Co N10 -","- C36 H24 Co N10 -","- C72 H48 Co2 N20 -","2","0.5","","Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang","High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.","Inorganic chemistry","2015","54","6","3006","3011","10.1021/acs.inorgchem.5b00119","","","0.71073","MoKα","","0.1074","0.0489","","","0.0962","0.1199","","","","","","1.039","","","","has coordinates","231603","2020-10-21","18:00:00",""
"4346066","7.506","0.003","10.903","0.004","13.563","0.005","68.519","0.013","76.49","0.017","75.877","0.016","988.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N4 O6 Ru -","- C20 H19 N4 O6 Ru -","- C40 H38 N8 O12 Ru2 -","2","1","","Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar","Revelation of varying bonding motif of alloxazine, a flavin analogue, in selected ruthenium(II/III) frameworks.","Inorganic chemistry","2015","54","6","3012","3021","10.1021/acs.inorgchem.5b00122","","","0.71075","MoKα","","0.0485","0.0427","","","0.0864","0.0899","","","","","","1.078","","","","has coordinates","231604","2020-10-21","18:00:00",""
"4346067","12.8461","0.0016","12.9256","0.0017","18.696","0.002","80.074","0.005","72.78","0.004","89.917","0.006","2916.8","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 B F24 Na S8 -","- C48 H44 B F24 Na S8 -","- C96 H88 B2 F48 Na2 S16 -","2","1","","Champion, Martin J. D.; Dyke, John M.; Levason, William; Light, Mark E.; Pugh, David; Bhakhoa, Hanusha; Rhyman, Lydia; Ramasami, Ponnadurai; Reid, Gillian","Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+).","Inorganic chemistry","2015","54","6","2497","2499","10.1021/acs.inorgchem.5b00156","","","0.71073","MoKα","","0.0989","0.0847","","","0.2255","0.2316","","","","","","1.084","","","","has coordinates","231605","2020-10-21","18:00:00",""
"4346068","12.3957","0.0017","12.4121","0.0017","19.061","0.003","102.501","0.005","102.215","0.006","92.001","0.004","2788.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 B F24 Na O2 S3 -","- C46 H40 B F24 Na O2.0001 S3 -","- C92 H80 B2 F48 Na2 O4.0002 S6 -","2","1","","Champion, Martin J. D.; Dyke, John M.; Levason, William; Light, Mark E.; Pugh, David; Bhakhoa, Hanusha; Rhyman, Lydia; Ramasami, Ponnadurai; Reid, Gillian","Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+).","Inorganic chemistry","2015","54","6","2497","2499","10.1021/acs.inorgchem.5b00156","","","0.71073","MoKα","","0.1511","0.1103","","","0.2956","0.3647","","","","","","1.234","","","","has coordinates,has disorder","231605","2020-10-21","18:00:00",""
"4346069","20.7139","0.0003","20.7139","","8.143","0.0002","90","","90","","90","","3493.88","0.1","100","2","100","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C60 H77 N4 O20.5 Pb4 -","- C60 H76 N4 O20 Pb4 -","- C120 H152 N8 O40 Pb8 -","2","0.25","","Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng","Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.","Inorganic chemistry","2015","54","8","3719","3721","10.1021/acs.inorgchem.5b00185","","","0.71073","MoKα","","0.0311","0.026","","","0.0517","0.0537","","","","","","1.025","","","","has coordinates","231606","2020-10-21","18:00:00",""
"4346070","20.9045","0.0004","20.9045","","8.1317","0.0003","90","","90","","90","","3553.54","0.15","100","2","100","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C48 H56 O20 Pb4 -","- C48 H48 O16 Pb4 -","- C96 H96 O32 Pb8 -","2","0.25","","Liu, Lin; Han, Zheng-Bo; Wang, Shi-Ming; Yuan, Da-Qiang; Ng, Seik Weng","Robust molecular bowl-based metal-organic frameworks with open metal sites: size modulation to increase the catalytic activity.","Inorganic chemistry","2015","54","8","3719","3721","10.1021/acs.inorgchem.5b00185","","","0.71073","MoKα","","0.0402","0.0342","","","0.0783","0.0813","","","","","","1.052","","","","has coordinates,has disorder","231606","2020-10-21","18:00:00",""
"4346071","21.0775","0.0012","26.4675","0.0016","20.7522","0.0013","90","","96.572","0.004","90","","11500.9","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C226 H192 Cl12 Cu12 F24 O8 P16 -","- C226 H192 Cl12 Cu12 F24 O8 P16 -","- C452 H384 Cl24 Cu24 F48 O16 P32 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.1246","0.0845","","","0.1979","0.2255","","","","","","1.058","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346072","12.7133","0.0002","17.807","0.0003","24.1678","0.0002","88.5779","0.001","81.02","0.0011","78.5399","0.0013","5296.33","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H102 Cu6 F12 N4 O4 P8 -","- C118 H102 Cu6 F12 N4 O4 P8 -","- C236 H204 Cu12 F24 N8 O8 P16 -","2","1","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","1.54184","CuKα","","0.0849","0.074","","","0.1532","0.1644","","","","","","1.038","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346073","13.98014","0.0001","16.50234","0.00015","23.7091","0.0002","90","","97.3259","0.0008","90","","5425.16","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C111 H90 Cl10 Cu6 F12 P8 -","- C111 H90 Cl10 Cu6 F12 P8 -","- C222 H180 Cl20 Cu12 F24 P16 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","1.54184","CuKα","","0.0603","0.0548","","","0.1378","0.1421","","","","","","1.028","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346074","13.9694","0.0002","16.8813","0.0003","23.4512","0.0004","90","","97.05","0.001","90","","5488.49","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C118 H104 Cu6 F12 O4 P8 -","- C118 H104 Cu6 F12 O4 P8 -","- C236 H208 Cu12 F24 O8 P16 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.061","0.0447","","","0.1098","0.1175","","","","","","1.024","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346075","14.2002","0.0009","16.4108","0.0011","23.8156","0.0015","90","","97.291","0.001","90","","5505","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H94 Cu6 F12 N4 P8 -","- C114 H94 Cu6 F12 N4 P8 -","- C228 H188 Cu12 F24 N8 P16 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.054","0.0456","","","0.1341","0.1425","","","","","","1.038","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346076","14.8094","0.0009","17.2631","0.001","17.5524","0.001","62.521","0.003","65.262","0.003","65.959","0.003","3485.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C151 H140 Cu6 F12 O7 P8 -","- C151 H140 Cu6 F12 O7 P8 -","- C151 H140 Cu6 F12 O7 P8 -","1","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.045","0.0354","","","0.1004","0.1066","","","","","","1.045","","","","has coordinates","231607","2020-10-21","18:00:00",""
"4346077","14.9882","0.0012","19.504","0.0015","22.5166","0.0017","90","","104.454","0.002","90","","6373.9","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H114 Cu6 F24 O6 P8 -","- C128 H114 Cu6 F24 O6 P8 -","- C256 H228 Cu12 F48 O12 P16 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.0617","0.0407","","","0.0998","0.113","","","","","","1.024","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346078","14.1905","0.0004","15.7189","0.0004","23.2832","0.0007","90","","94.333","0.001","90","","5178.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H86 Cl8 Cu6 F12 N4 P8 -","- C106 H86 Cl8 Cu6 F12 N4 P8 -","- C212 H172 Cl16 Cu12 F24 N8 P16 -","2","0.5","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.1262","0.0573","","","0.1114","0.1344","","","","","","1.024","","","","has coordinates","231607","2020-10-21","18:00:00",""
"4346079","11.9838","0.0005","14.5634","0.0007","15.0567","0.0004","98.586","0.003","105.357","0.003","92.078","0.004","2497.62","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.6 H45.2 Cu3 F6 N3 O0.4 P4 -","- C54.6 H45.2 Cu3 F6 N3 O0.4 P4 -","- C109.2 H90.4 Cu6 F12 N6 O0.8 P8 -","2","1","","Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P.","Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters.","Inorganic chemistry","2015","54","17","8288","8297","10.1021/acs.inorgchem.5b00239","","","0.71073","MoKα","","0.097","0.0598","","","0.1069","0.1272","","","","","","1.087","","","","has coordinates,has disorder","231607","2020-10-21","18:00:00",""
"4346080","10.7342","0.0003","11.9737","0.0005","13.7298","0.0006","82.045","0.004","70.514","0.003","79.321","0.003","1629.18","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 I Ir N4 -","- C39 H40 I Ir N4 -","- C78 H80 I2 Ir2 N8 -","2","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","Postmodification of the electronic properties by addition of π-stacking additives in N-heterocyclic carbene complexes with extended polyaromatic systems.","Inorganic chemistry","2015","54","7","3654","3659","10.1021/acs.inorgchem.5b00250","","x-ray","0.71073","MoKα","","0.0436","0.035","","","","0.0882","","","","","","1.0562","","","","has coordinates","231608","2020-10-21","18:00:00",""
"4346081","14.6533","0.0005","11.2029","0.0004","19.8539","0.0007","90","","92.917","0.003","90","","3255","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 I Ir N4 O -","- C36 H42 I Ir N4 O -","- C144 H168 I4 Ir4 N16 O4 -","4","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","Postmodification of the electronic properties by addition of π-stacking additives in N-heterocyclic carbene complexes with extended polyaromatic systems.","Inorganic chemistry","2015","54","7","3654","3659","10.1021/acs.inorgchem.5b00250","","","0.71073","MoKα","","0.035","0.0288","","","0.0592","0.062","","","","","","1.165","","","","has coordinates","231608","2020-10-21","18:00:00",""
"4346082","10.2034","0.0005","11.2453","0.0006","12.0939","0.0006","102.552","0.004","105.682","0.004","102.043","0.004","1250.17","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Br Cl N4 O3 Pt -","- C25 H24 Br Cl N4 O3 Pt -","- C50 H48 Br2 Cl2 N8 O6 Pt2 -","2","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya; Novikov, Alexander S.; Avdontceva, Margarita S.; Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Bifunctional reactivity of amidoximes observed upon nucleophilic addition to metal-activated nitriles.","Inorganic chemistry","2015","54","8","4039","4046","10.1021/acs.inorgchem.5b00253","","","0.71073","MoKα","","0.0224","0.0198","","","0.0373","0.0382","","","","","","1.054","","","","has coordinates","231609","2020-10-21","18:00:00",""
"4346083","12.6194","0.0002","12.97886","0.00015","13.7917","0.0002","90","","109.888","0.0018","90","","2124.15","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl3 N4 O Pt -","- C21 H15 Cl3 N4 O Pt -","- C84 H60 Cl12 N16 O4 Pt4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya; Novikov, Alexander S.; Avdontceva, Margarita S.; Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Bifunctional reactivity of amidoximes observed upon nucleophilic addition to metal-activated nitriles.","Inorganic chemistry","2015","54","8","4039","4046","10.1021/acs.inorgchem.5b00253","","","1.54184","CuKα","","0.0451","0.04","","","0.0744","0.0781","","","","","","1.051","","","","has coordinates","231609","2020-10-21","18:00:00",""
"4346084","9.99961","0.00017","11.26583","0.00016","23.3589","0.0004","90","","92.9538","0.0015","90","","2627.98","0.07","100","2","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br Cl5 N4 O Pt -","- C22 H18 Br Cl5 N4 O Pt -","- C88 H72 Br4 Cl20 N16 O4 Pt4 -","4","1","","Bolotin, Dmitrii S.; Demakova, Marina Ya; Novikov, Alexander S.; Avdontceva, Margarita S.; Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Bifunctional reactivity of amidoximes observed upon nucleophilic addition to metal-activated nitriles.","Inorganic chemistry","2015","54","8","4039","4046","10.1021/acs.inorgchem.5b00253","","","1.5418","CuKα","","0.0708","0.0682","","","0.1693","0.1716","","","","","","1.114","","","","has coordinates","231609","2020-10-21","18:00:00",""
"4346085","13.6292","0.0014","14.174","0.002","30.143","0.008","85.37","0.015","88.106","0.01","63.346","0.009","5187.2","1.7","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","1","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.","Inorganic chemistry","2015","54","7","3643","3653","10.1021/acs.inorgchem.5b00261","","","0.71073","MoKα","","0.1135","0.0883","","","0.2114","0.2237","","","","","","1.007","","","","has coordinates","231610","2020-10-21","18:00:00",""
"4346086","13.6349","0.001","14.148","0.002","30.122","0.005","85.21","0.013","88.033","0.01","63.419","0.008","5178.4","1.2","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","- C168 H136 Cl12 Fe2 K2 O30 P2 S48 -","1","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.","Inorganic chemistry","2015","54","7","3643","3653","10.1021/acs.inorgchem.5b00261","","","0.71073","MoKα","","0.0925","0.0745","","","0.1916","0.2026","","","","","","1.026","","","","has coordinates","231610","2020-10-21","18:00:00",""
"4346087","13.598","0.003","14.1713","0.0019","30.107","0.007","85.659","0.012","88.219","0.017","63.378","0.012","5171.7","1.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H68 Cl6 Fe K O14.5 P S24 -","- C84 H68 Cl6 Fe K O14.5 P S24 -","- C168 H136 Cl12 Fe2 K2 O29 P2 S48 -","2","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.","Inorganic chemistry","2015","54","7","3643","3653","10.1021/acs.inorgchem.5b00261","","","0.71073","MoKα","","0.1692","0.1078","","","0.2531","0.2767","","","","","","1","","","","has coordinates","231610","2020-10-21","18:00:00",""
"4346088","10.1741","0.001","16.2954","0.0013","30.876","0.003","98.035","0.003","90.869","0.003","104.958","0.004","4889.9","0.8","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C73 H45 Dy2 F27 N8 O12 S9 -","- C73 H45 Dy2 F27 N8 O12 S9 -","- C146 H90 Dy4 F54 N16 O24 S18 -","2","1","","Feng, Min; Pointillart, Fabrice; Lefeuvre, Bertrand; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène","Multiple single-molecule magnet behaviors in dysprosium dinuclear complexes involving a multiple functionalized tetrathiafulvalene-based ligand.","Inorganic chemistry","2015","54","8","4021","4028","10.1021/acs.inorgchem.5b00272","","x-ray","0.71073","MoKα","","0.2348","0.1112","","","0.2606","0.3105","","","","","","0.903","","","","has coordinates","231611","2020-10-21","18:00:00",""
"4346089","22.3718","0.0012","12.6951","0.0006","33.6565","0.0019","90","","100.859","0.002","90","","9387.7","0.9","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cl4 Dy2 F36 N8 O12 S6 -","- C72 H54 Cl4 Dy2 F36 N8 O12 S6 -","- C288 H216 Cl16 Dy8 F144 N32 O48 S24 -","4","1","","Feng, Min; Pointillart, Fabrice; Lefeuvre, Bertrand; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène","Multiple single-molecule magnet behaviors in dysprosium dinuclear complexes involving a multiple functionalized tetrathiafulvalene-based ligand.","Inorganic chemistry","2015","54","8","4021","4028","10.1021/acs.inorgchem.5b00272","","x-ray","0.71073","MoKα","","0.1441","0.1015","","","0.2307","0.2487","","","","","","1.127","","","","has coordinates,has disorder","231612","2020-10-21","18:00:00",""
"4346090","8.032","0.0006","10.4016","0.0008","23.3623","0.0017","90","","90","","90","","1951.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cs2 O18 V2 -","- C8 H14 Cs2 O18 V2 -","- C32 H56 Cs8 O72 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0223","0.021","","","0.0478","0.0487","","","","","","1.06","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346091","7.9061","0.0008","10.2647","0.0011","22.814","0.002","90","","90","","90","","1851.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O18 Rb2 V2 -","- C8 H14 O18 Rb2 V2 -","- C32 H56 O72 Rb8 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.027","0.0238","","","0.0527","0.0543","","","","","","1.05","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346092","8.4341","0.0013","17.311","0.003","25.14","0.004","90","","90","","90","","3670.5","1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H13.91 K2 O17.95 V2 -","- C8 H6 K2 O17.955 V2 -","- C64 H48 K16 O143.64 V16 -","8","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0409","0.0339","","","0.0616","0.0638","","","","","","0.922","","","","has coordinates,has disorder","231613","2020-10-21","18:00:00",""
"4346093","8.5931","0.0005","10.4332","0.0006","24.2289","0.0013","90","","90","","90","","2172.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Na2 O23 V2 -","- C8 H24 Na2 O23 V2 -","- C32 H96 Na8 O92 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0415","0.0398","","","0.0877","0.0883","","","","","","1.173","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346094","14.7827","0.0006","14.7902","0.0006","29.408","0.0011","90","","90","","90","","6429.7","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 Au6 Cl3 N6 O P3 -","- C37 H68 Au6 Cl3 N6 O P3 -","- C148 H272 Au24 Cl12 N24 O4 P12 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Aurophilicity-triggered assembly of novel cyclic penta- and hexanuclear gold(I) complexes with rigid anionic NHC-type ligands.","Inorganic chemistry","2015","54","8","3722","3724","10.1021/acs.inorgchem.5b00276","","","0.71073","MoKα","","0.0653","0.0491","","","0.1046","0.1095","","","","","","1.039","","","","has coordinates","231614","2020-10-21","18:00:00",""
"4346095","16.0263","0.0007","18.0153","0.0007","21.3623","0.0009","107.876","0.001","94.747","0.001","103.694","0.001","5621.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H122 Au12 Cl8 N12 P6 -","- C67 H122 Au12 Cl8 N12 P6 -","- C134 H244 Au24 Cl16 N24 P12 -","2","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Aurophilicity-triggered assembly of novel cyclic penta- and hexanuclear gold(I) complexes with rigid anionic NHC-type ligands.","Inorganic chemistry","2015","54","8","3722","3724","10.1021/acs.inorgchem.5b00276","","","0.71073","MoKα","","0.1191","0.0733","","","0.1831","0.2007","","","","","","1.099","","","","has coordinates","231614","2020-10-21","18:00:00",""
"4346096","7.1372","0.0009","28.11","0.003","16.105","0.002","90","","90.32","0.001","90","","3231","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl6 N Nb -","- C10 H14 Cl6 N Nb -","- C80 H112 Cl48 N8 Nb8 -","8","2","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.","Inorganic chemistry","2015","54","8","4047","4055","10.1021/acs.inorgchem.5b00286","","","0.71073","MoKα","","0.0284","0.0266","","","0.0652","0.0663","","","","","","1.032","","","","has coordinates","231615","2020-10-21","18:00:00",""
"4346097","42.613","0.014","7.231","0.002","16.799","0.005","90","","90","","90","","5176","3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H14 Br6 N Nb -","- C10 H14 Br6 N Nb -","- C120 H168 Br72 N12 Nb12 -","12","3","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.","Inorganic chemistry","2015","54","8","4047","4055","10.1021/acs.inorgchem.5b00286","","","0.71073","MoKα","","0.1014","0.0669","","","0.1516","0.1672","","","","","","1.025","","","","has coordinates","231615","2020-10-21","18:00:00",""
"4346098","42.859","0.006","7.2764","0.0011","17.012","0.002","90","","90","","90","","5305.3","1.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H14 Br6 N Ta -","- C10 H14 Br6 N Ta -","- C120 H168 Br72 N12 Ta12 -","12","3","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of α-amino acidato derivatives of niobium and tantalum pentahalides and their conversion into iminium salts.","Inorganic chemistry","2015","54","8","4047","4055","10.1021/acs.inorgchem.5b00286","","","0.71073","MoKα","","0.059","0.0469","","","0.1054","0.1101","","","","","","1.072","","","","has coordinates","231615","2020-10-21","18:00:00",""
"4346099","30.618","0.002","12.2582","0.0009","23.3809","0.0017","90","","111.653","0.001","90","","8156.1","1","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 La2 N11 O9 -","- C75 H92 La2 N11 O9 -","- C300 H368 La8 N44 O36 -","4","0.5","","Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.","Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand.","Inorganic chemistry","2015","54","8","4064","4075","10.1021/acs.inorgchem.5b00299","","","0.71073","MoKα","","0.0453","0.036","","","0.0987","0.1023","","","","","","1.284","","","","has coordinates,has disorder","231617","2020-10-21","18:00:00",""
"4346100","30.497","0.004","12.2527","0.0016","23.36","0.003","90","","111.787","0.001","90","","8105.4","1.8","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 Ce2 N11 O9 -","- C75 H86 Ce2 N10.999 O9 -","- C300 H344 Ce8 N43.996 O36 -","4","0.5","","Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.","Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand.","Inorganic chemistry","2015","54","8","4064","4075","10.1021/acs.inorgchem.5b00299","","","0.71073","MoKα","","0.0488","0.037","","","0.1018","0.1055","","","","","","1.262","","","","has coordinates,has disorder","231617","2020-10-21","18:00:00",""
"4346101","12.2127","0.0014","16.2838","0.0018","23.125","0.003","99.91","0.001","103.228","0.001","111.062","0.001","4010.7","0.8","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H113 N11 Nd2 O9 -","- C81 H92 N11 Nd2 O9 -","- C162 H184 N22 Nd4 O18 -","2","1","","Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.","Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand.","Inorganic chemistry","2015","54","8","4064","4075","10.1021/acs.inorgchem.5b00299","","","0.71073","MoKα","","0.062","0.0397","","","0.0873","0.0945","","","","","","0.935","","","","has coordinates,has disorder","231617","2020-10-21","18:00:00",""
"4346102","67.248","0.012","15.982","0.003","30.73","0.006","90","","108.002","0.002","90","","31410","10","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C162 H226 Ce4 N16 O12 -","- C132 H156 Ce4 N16 O12 -","- C1056 H1248 Ce32 N128 O96 -","8","1","","Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.","Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand.","Inorganic chemistry","2015","54","8","4064","4075","10.1021/acs.inorgchem.5b00299","","","0.71073","MoKα","","0.0758","0.0449","","","0.0963","0.106","","","","","","0.915","","","","has coordinates,has disorder","231617","2020-10-21","18:00:00",""
"4346103","67.241","0.003","15.9016","0.0006","30.5419","0.0016","90","","108.905","0.002","90","","30895","2","120","0","120","0","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C162 H226 N16 Nd4 O12 -","- C132 H153 N16 Nd4 O12 -","- C1056 H1224 N128 Nd32 O96 -","8","1","","Brown, Jessie L.; Jones, Matthew B.; Gaunt, Andrew J.; Scott, Brian L.; MacBeth, Cora E.; Gordon, John C.","Lanthanide(III) di- and tetra-nuclear complexes supported by a chelating tripodal tris(amidate) ligand.","Inorganic chemistry","2015","54","8","4064","4075","10.1021/acs.inorgchem.5b00299","","","0.71073","MoKα","","0.1417","0.0675","","","0.1396","0.1598","","","","","","0.895","","","","has coordinates,has disorder","231617","2020-10-21","18:00:00",""
"4346104","10.506","0.002","12.075","0.002","12.948","0.003","66.52","0.03","88.96","0.03","67.42","0.03","1373.3","0.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 F6 Fe N9 O7 S2 -","- C20 H20 F6 Fe N9 O7 S2 -","- C40 H40 F12 Fe2 N18 O14 S4 -","2","1","","Kupper, Claudia; Schober, Anne; Demeshko, Serhiy; Bergner, Marie; Meyer, Franc","An exclusively organometallic {FeNO}(7) complex with tetracarbene ligation and a linear FeNO unit.","Inorganic chemistry","2015","54","7","3096","3098","10.1021/acs.inorgchem.5b00301","","","0.71073","MoKα","","0.087","0.0514","","","0.0994","0.1093","","","","","","0.971","","","","has coordinates","231618","2020-10-21","18:00:00",""
"4346105","10.881","0.002","14.908","0.003","18.667","0.004","90","","100.277","0.007","90","","2979.5","1","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H49 P2 Rh S3 Si -","- C22 H49 P2 Rh S3 Si -","- C88 H196 P8 Rh4 S12 Si4 -","4","1","","Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.","Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.","Inorganic chemistry","2015","54","7","3670","3679","10.1021/acs.inorgchem.5b00305","","","0.71073","MoKα","","0.1085","0.0621","","","0.115","0.1294","","","","","","1.015","","","","has coordinates","231619","2020-10-21","18:00:00",""
"4346106","11.2078","0.0019","20.257","0.003","22.118","0.004","90","","95.349","0.002","90","","4999.7","1.4","123","2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H90 O P4 Rh2 S3 -","- C41 H90 O P4 Rh2 S3 -","- C164 H360 O4 P16 Rh8 S12 -","4","1","","Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.","Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.","Inorganic chemistry","2015","54","7","3670","3679","10.1021/acs.inorgchem.5b00305","","","0.71073","MoKα","","0.1018","0.0516","","","0.1034","0.125","","","","","","0.988","","","","has coordinates","231619","2020-10-21","18:00:00",""
"4346107","12.893","0.003","21.409","0.005","27.026","0.006","90","","90","","90","","7460","3","173","","173.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26 H58 N O2 P2 Rh S2 Si2 -","- C26 H58 N O2 P2 Rh S2 Si2 -","- C208 H464 N8 O16 P16 Rh8 S16 Si16 -","8","1","","Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.","Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.","Inorganic chemistry","2015","54","7","3670","3679","10.1021/acs.inorgchem.5b00305","","","0.71073","MoKα","","0.1568","0.1042","","","0.222","0.242","","","","","","1.133","","","","has coordinates","231619","2020-10-21","18:00:00",""
"4346108","28.2036","0.0017","11.405","0.0007","33.691","0.002","90","","93.663","0.004","90","","10815","1.1","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H90 N4 P4 Rh2 -","- C50 H90 N4 P4 Rh2 -","- C400 H720 N32 P32 Rh16 -","8","1","","Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.","Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.","Inorganic chemistry","2015","54","7","3670","3679","10.1021/acs.inorgchem.5b00305","","","1.54178","CuKα","","0.06","0.0439","","","0.093","0.1002","","","","","","1.047","","","","has coordinates","231619","2020-10-21","18:00:00",""
"4346109","26.7674","0.0005","26.7674","0.0005","26.7674","0.0005","90","","90","","90","","19178.7","0.6","293","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C34 H22 N4 Ni3 O14 S2 -","- C34 H22 N4 Ni3 O14 S2 -","- C408 H264 N48 Ni36 O168 S24 -","12","0.25","","Li, Jia; Fu, Hong-Ru; Zhang, Jian; Zheng, Lan-Sun; Tao, Jun","Anionic metal-organic framework for adsorption and separation of light hydrocarbons.","Inorganic chemistry","2015","54","7","3093","3095","10.1021/acs.inorgchem.5b00316","","","1.54178","CuKα","","0.1279","0.1055","","","0.2637","0.2833","","","","","","1.321","","","","has coordinates","231620","2020-10-21","18:00:00",""
"4346110","14.2852","0.0007","11.1485","0.0006","21.5737","0.0008","90","","129.284","0.002","90","","2659.4","0.2","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0719","0.0412","","","0.0957","0.115","","","","","","1.078","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346111","14.2941","0.0005","11.1759","0.0005","21.6215","0.0007","90","","129.318","0.002","90","","2672.17","0.19","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0934","0.0497","","","0.1055","0.1271","","","","","","1.017","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346112","14.3205","0.0006","11.2092","0.0006","21.6961","0.0009","90","","129.354","0.002","90","","2693","0.2","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0988","0.0465","","","0.0971","0.1212","","","","","","1.01","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346113","14.3396","0.0004","11.2307","0.0004","21.7881","0.0006","90","","129.416","0.002","90","","2710.77","0.16","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0852","0.0458","","","0.1008","0.1244","","","","","","1.066","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346114","14.3542","0.0007","11.2652","0.0006","21.8951","0.0008","90","","129.417","0.002","90","","2735.2","0.2","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0953","0.0456","","","0.1127","0.1463","","","","","","1.051","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346115","14.949","0.0007","17.2332","0.0009","15.3952","0.0007","90","","90","","90","","3966.1","0.3","115","2","115","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71069","MoKα","","0.0585","0.0442","","","0.0795","0.0868","","","","","","1.12","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346116","15.0029","0.0007","17.3127","0.001","15.4099","0.0008","90","","90","","90","","4002.6","0.4","155","2","155","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0579","0.043","","","0.0803","0.0881","","","","","","1.084","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346117","15.0958","0.0007","17.4315","0.001","15.4249","0.0008","90","","90","","90","","4058.9","0.4","195","2","195","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0654","0.0443","","","0.0798","0.0903","","","","","","1.123","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346118","15.2514","0.0007","17.6098","0.001","15.4457","0.0008","90","","90","","90","","4148.3","0.4","235","2","235","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C24 H56 Cu4 I4 S4 -","- C24 H56 Cu4 I4 S4 -","- C96 H224 Cu16 I16 S16 -","4","0.25","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0806","0.0544","","","0.1294","0.1453","","","","","","1.136","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346119","8.408","0.0003","22.2837","0.0006","14.055","0.0005","90","","96.482","0.001","90","","2616.53","0.15","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br4 Cu4 S4 -","- C12 H32 Br4 Cu4 S4 -","- C48 H128 Br16 Cu16 S16 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0706","0.0521","","","0.1264","0.1449","","","","","","1.119","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346120","8.4255","0.0003","22.3179","0.0006","14.0836","0.0005","90","0.005","96.42","0.001","90","","2631.67","0.15","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br4 Cu4 S4 -","- C12 H32 Br4 Cu4 S4 -","- C48 H128 Br16 Cu16 S16 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0782","0.0555","","","0.13","0.1525","","","","","","1.153","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346121","8.4429","0.0003","22.3567","0.0006","14.1198","0.0006","90","","96.369","0.001","90","","2648.74","0.16","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br4 Cu4 S4 -","- C12 H32 Br4 Cu4 S4 -","- C48 H128 Br16 Cu16 S16 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0861","0.0604","","","0.1346","0.1516","","","","","","1.076","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346122","8.4528","0.0003","22.382","0.0005","14.1647","0.0004","90","","96.337","0.001","90","","2663.45","0.13","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br4 Cu4 S4 -","- C12 H32 Br4 Cu4 S4 -","- C48 H128 Br16 Cu16 S16 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0836","0.056","","","0.112","0.1276","","","","","","1.109","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346123","8.4712","0.0003","22.4316","0.0005","14.227","0.0004","90","","96.158","0.001","90","","2687.85","0.14","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br4 Cu4 S4 -","- C12 H32 Br4 Cu4 S4 -","- C48 H128 Br16 Cu16 S16 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0756","0.0508","","","0.1229","0.1477","","","","","","1.174","","","","has coordinates","231621","2020-10-21","18:00:00",""
"4346124","12.858","0.005","29.651","0.005","10.705","0.005","90","0.005","90","0.005","90","0.005","4081","3","115","2","115","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 Cu4 I4 S3 -","- C6 H18 Cu4 I4 S3 -","- C48 H144 Cu32 I32 S24 -","8","0.5","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0578","0.0558","","","0.1248","0.1256","","","","","","1.229","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346125","7.2263","0.0006","10.4398","0.0008","16.0553","0.0011","90","","90.326","0.002","90","","1211.21","0.16","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 Cu2 I2 N S -","- C5 H11 Cu2 I2 N S -","- C20 H44 Cu8 I8 N4 S4 -","4","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0202","0.0151","","","0.029","0.0304","","","","","","1.044","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346126","11.1889","0.0003","12.5095","0.0003","33.9283","0.0008","90","","90","","90","","4748.9","0.2","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H24 Cu4 I4 S3 -","- C9 H24 Cu4 I4 S3 -","- C72 H192 Cu32 I32 S24 -","8","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","x-ray","0.71073","MoKα","","0.0981","0.0961","","","0.2273","0.2281","","","","","","1.307","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346127","15.1013","0.0006","15.4882","0.0004","15.5085","0.0005","90","","90","","90","","3627.3","0.2","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H48 Cu4 I4 S4 -","- C20 H48 Cu4 I4 S4 -","- C80 H192 Cu16 I16 S16 -","4","0.5","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71069","MoKα","","0.0732","0.0636","","","0.1464","0.1531","","","","","","1.077","","","","has coordinates,has disorder","231622","2020-10-21","18:00:00",""
"4346128","11.0096","0.0019","11.6305","0.0017","14.205","0.003","88.548","0.016","79.375","0.017","63.6","0.016","1598","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H84 Cu8 I8 S6 -","- C36 H84 Cu8 I8 S6 -","- C36 H84 Cu8 I8 S6 -","1","0.5","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0243","0.0221","","","0.0597","0.0608","","","","","","1.07","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346129","8.604","0.001","11.9434","0.0013","12.1004","0.0015","80.617","0.004","83.668","0.005","69.142","0.004","1144.6","0.2","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 Br3 Cu3 S3 -","- C12 H30 Br3 Cu3 S3 -","- C24 H60 Br6 Cu6 S6 -","2","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","","0.71073","MoKα","","0.0232","0.0182","","","0.0354","0.0367","","","","","","1.079","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346130","24.237","0.007","19.982","0.006","24.195","0.007","90","","101.124","0.007","90","","11498","6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H88 Cl4 Dy8 N28 O18 -","- C78 H76 Cl4 Dy8 N28 O18 -","- C312 H304 Cl16 Dy32 N112 O72 -","4","0.5","","Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju","Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.","Inorganic chemistry","2015","54","17","8197","8206","10.1021/acs.inorgchem.5b00334","","","0.71073","MoKα","","0.0757","0.0712","","","0.2037","0.2086","","","","","","1.661","","","","has coordinates","231623","2020-10-21","18:00:00",""
"4346131","16.7861","0.0004","16.7861","0.0004","47.371","0.002","90","","90","","120","","11559.6","0.6","120","2","120","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C120 H126 N38 Nd6 O30 -","- C120 H112 N38 Nd6 O30 -","- C360 H336 N114 Nd18 O90 -","3","0.5","","Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju","Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.","Inorganic chemistry","2015","54","17","8197","8206","10.1021/acs.inorgchem.5b00334","","","0.71073","MoKα","","0.1913","0.0856","","","0.1965","0.2238","","","","","","0.967","","","","has coordinates,has disorder","231624","2020-10-21","18:00:00",""
"4346132","14.4489","0.0007","16.477","0.0009","18.7596","0.001","110.305","0.002","110.042","0.002","94.732","0.002","3830.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H114 Dy8 N34 O28 -","- C108 H94 Dy8 N34 O28 -","- C108 H94 Dy8 N34 O28 -","1","0.5","","Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju","Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.","Inorganic chemistry","2015","54","17","8197","8206","10.1021/acs.inorgchem.5b00334","","","0.71073","MoKα","","0.1153","0.0625","","","0.1516","0.1688","","","","","","0.875","","","","has coordinates","231625","2020-10-21","18:00:00",""
"4346133","24.2752","0.0012","20.1097","0.001","24.1223","0.0012","90","","101.093","0.002","90","","11555.7","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H80 Cl4 N28 O16 Tb8 -","- C76 H76 Cl4 N28 O16 Tb8 -","- C304 H304 Cl16 N112 O64 Tb32 -","4","0.5","","Bala, Sukhen; Sen Bishwas, Mousumi; Pramanik, Bhaskar; Khanra, Sumit; Fromm, Katharina M.; Poddar, Pankaj; Mondal, Raju","Construction of Polynuclear Lanthanide (Ln = Dy(III), Tb(III), and Nd(III)) Cage Complexes Using Pyridine-Pyrazole-Based Ligands: Versatile Molecular Topologies and SMM Behavior.","Inorganic chemistry","2015","54","17","8197","8206","10.1021/acs.inorgchem.5b00334","","","0.71073","MoKα","","0.0857","0.0503","","","0.1491","0.1737","","","","","","1.047","","","","has coordinates","231626","2020-10-21","18:00:00",""
"4346134","10.1748","0.0007","8.4521","0.0005","23.5825","0.0016","90","","91.453","0.006","90","","2027.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 B F2 N3 -","- C28 H18 B F2 N3 -","- C112 H72 B4 F8 N12 -","4","1","","Maligaspe, Eranda; Pundsack, Tom J.; Albert, Lauren M.; Zatsikha, Yuriy V.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.","Synthesis and charge-transfer dynamics in a ferrocene-containing organoboryl aza-BODIPY donor-acceptor triad with boron as the hub.","Inorganic chemistry","2015","54","8","4167","4174","10.1021/acs.inorgchem.5b00494","","","0.71075","MoKα","","0.0992","0.051","","","0.1063","0.1286","","","","","","1.019","","","","has coordinates","231627","2020-10-21","18:00:00",""
"4346135","33.0628","0.0007","33.0628","0.0007","4.877","0.0003","90","","90","","120","","4617","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C252 H171 N27 -","9","0.5","","Maligaspe, Eranda; Pundsack, Tom J.; Albert, Lauren M.; Zatsikha, Yuriy V.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.","Synthesis and charge-transfer dynamics in a ferrocene-containing organoboryl aza-BODIPY donor-acceptor triad with boron as the hub.","Inorganic chemistry","2015","54","8","4167","4174","10.1021/acs.inorgchem.5b00494","","","1.54187","CuKα","","0.0535","0.0474","","","0.111","0.1141","","","","","","1.153","","","","has coordinates","231627","2020-10-21","18:00:00",""
"4346136","6.9872","0.0002","12.063","0.0004","12.8337","0.0004","114.212","0.002","91.53","0.002","102.012","0.002","957.31","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Cl N3 O9 P2 Pt -","- C12 H20 Cl N3 O9 P2 Pt -","- C24 H40 Cl2 N6 O18 P4 Pt2 -","2","1","","Andrepont, Chase; Pakhomova, Svetlana; Marzilli, Patricia A.; Marzilli, Luigi G.","Unusual Example of Chelate Ring Opening upon Coordination of the 9-Ethylguanine Nucleobase to [Pt(di-(6-methyl-2-picolyl)amine)Cl]Cl.","Inorganic chemistry","2015","54","10","4895","4908","10.1021/acs.inorgchem.5b00496","","","0.71073","MoKα","","0.0432","0.0316","","","0.0645","0.068","","","","","","1.019","","","","has coordinates,has disorder","231628","2020-10-21","18:00:00",""
"4346137","15.6698","0.0009","6.8167","0.0004","14.2516","0.0008","90","","90","","90","","1522.3","0.15","98","2","98","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl2 N3 Pt -","- C14 H17 Cl2 N3 Pt -","- C56 H68 Cl8 N12 Pt4 -","4","0.5","","Andrepont, Chase; Pakhomova, Svetlana; Marzilli, Patricia A.; Marzilli, Luigi G.","Unusual Example of Chelate Ring Opening upon Coordination of the 9-Ethylguanine Nucleobase to [Pt(di-(6-methyl-2-picolyl)amine)Cl]Cl.","Inorganic chemistry","2015","54","10","4895","4908","10.1021/acs.inorgchem.5b00496","","","0.71073","MoKα","","0.0401","0.0337","","","0.0675","0.0693","","","","","","1.252","","","","has coordinates","231628","2020-10-21","18:00:00",""
"4346138","16.382","0.0011","10.5135","0.0007","11.8675","0.0008","90","","90","","90","","2044","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","in manuscript 1b","","","- C15 H28 F3 N2 O3 P S -","- C15 H28 F3 N2 O3 P S -","- C60 H112 F12 N8 O12 P4 S4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0822","0.0654","","","0.1339","0.1414","","","","","","1.086","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346139","9.9759","0.0007","16.3832","0.0012","23.1814","0.0017","90","","95.333","0.002","90","","3772.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in manuscript 3a","","","- C32 H42 Cl6 N2 P2 Ru -","- C32 H42 Cl6 N2 P2 Ru -","- C128 H168 Cl24 N8 P8 Ru4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0967","0.0607","","","0.1325","0.147","","","","","","1.077","","","","has coordinates,has disorder","231629","2020-10-21","18:00:00",""
"4346140","11.6983","0.0005","17.3524","0.0008","17.5483","0.0008","85.509","0.0012","82.146","0.0012","78.159","0.0012","3449","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","in manuscript 3b","","","- C34.5 H47 Cl2 N2 P2 Ru -","- C34.5025 H47.005 Cl2 N2 P2 Ru -","- C138.01 H188.02 Cl8 N8 P8 Ru4 -","4","2","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0906","0.0453","","","0.0794","0.092","","","","","","0.983","","","","has coordinates,has disorder","231629","2020-10-21","18:00:00",""
"4346141","10.557","0.001","17.4081","0.0017","19.9446","0.0018","90","","91.141","0.002","90","","3664.6","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","in manuscript 3c","","","- C34 H46 Cl4 N2 P2 Ru -","- C34 H46 Cl4 N2 P2 Ru -","- C136 H184 Cl16 N8 P8 Ru4 -","4","2","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.1421","0.0765","","","0.1059","0.1268","","","","","","1.031","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346142","8.6967","0.0007","15.776","0.0012","22.6971","0.0017","90","","93.707","0.001","90","","3107.5","0.4","199","2","199","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","in manuscript 4aH","","","- C24 H37 Cl6 N4 P Ru -","- C24 H37 Cl6 N4 P Ru -","- C96 H148 Cl24 N16 P4 Ru4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.06","0.0376","","","0.0735","0.0811","","","","","","1.035","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346143","18.609","0.003","19.892","0.003","8.7676","0.0015","90","","113.047","0.003","90","","2986.5","0.8","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","in manuscript 4aBr","","","- C22 H31 Br2 Cl2 N4 P Ru -","- C25.68 H31 Br2 Cl2 N4 P Ru -","- C102.72 H124 Br8 Cl8 N16 P4 Ru4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0569","0.0455","","","0.0864","0.0926","","","","","","1.064","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346144","8.987","0.002","13.992","0.003","14.689","0.003","82.541","0.004","86.686","0.004","75.254","0.004","1770.5","0.7","199","2","199","2","","","","","","","","7","P -1","-P 1","2","in manuscript 4cBr","","","- C30 H41 Br3 Cl2 N5 P Ru -","- C30 H41 Br3 Cl2 N5 P Ru -","- C60 H82 Br6 Cl4 N10 P2 Ru2 -","2","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0859","0.0508","","","0.0987","0.1086","","","","","","1.059","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346145","9.8131","0.0013","15.449","0.002","19.426","0.003","90","","93.744","0.003","90","","2938.7","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","in manuscript 5a","","","- C18 H37 Cl6 N2 P Ru Si -","- C18 H37 Cl6 N2 P Ru Si -","- C72 H148 Cl24 N8 P4 Ru4 Si4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0982","0.0559","","","0.109","0.1241","","","","","","1.039","","","","has coordinates,has disorder","231629","2020-10-21","18:00:00",""
"4346146","9.0506","0.0003","9.7152","0.0003","15.2604","0.0004","94.5103","0.0015","94.3406","0.0015","113.348","0.0013","1219.73","0.07","200","2","200","2","","","","","","","","7","P -1","-P 1","2","in manuscript 5c","","","- C18 H37 Cl2 N2 P Ru Si -","- C18 H37 Cl2 N2 P Ru Si -","- C36 H74 Cl4 N4 P2 Ru2 Si2 -","2","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0389","0.0312","","","0.0653","0.0691","","","","","","1.039","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346147","6.3719","0.0006","13.1449","0.0012","18.4581","0.0017","90","","96.073","0.007","90","","1537.3","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","NibisNNisoprop","","","- C20 H36 B2 F8 N4 Ni S4 -","- C20 H36 B2 F8 N4 Ni S4 -","- C40 H72 B4 F16 N8 Ni2 S8 -","2","0.5","","Mogesa, Benjamin; Perera, Eranda; Rhoda, Hannah M.; Gibson, John K.; Oomens, Jos; Berden, Giel; van Stipdonk, Michael J.; Nemykin, Victor N.; Basu, Partha","Solution, Solid, and Gas Phase Studies on a Nickel Dithiolene System: Spectator Metal and Reactor Ligand.","Inorganic chemistry","2015","54","16","7703","7716","10.1021/acs.inorgchem.5b00531","","","0.71073","MoKα","","0.1331","0.0627","","","0.1593","0.1977","","","","","","1.007","","","","has coordinates","231630","2020-10-21","18:00:00",""
"4346148","15.0044","0.0011","15.0044","0.0011","11.995","0.002","90","","90","","120","","2338.7","0.5","296","2","296","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C30 H54 B2 F8 N6 Ni S6 -","- C30 H54 B2 F8 N6 Ni S6 -","- C60 H108 B4 F16 N12 Ni2 S12 -","2","0.166667","","Mogesa, Benjamin; Perera, Eranda; Rhoda, Hannah M.; Gibson, John K.; Oomens, Jos; Berden, Giel; van Stipdonk, Michael J.; Nemykin, Victor N.; Basu, Partha","Solution, Solid, and Gas Phase Studies on a Nickel Dithiolene System: Spectator Metal and Reactor Ligand.","Inorganic chemistry","2015","54","16","7703","7716","10.1021/acs.inorgchem.5b00531","","","0.71073","MoKα","","0.0877","0.064","","","0.2201","0.2364","","","","","","1.591","","","","has coordinates","231631","2020-10-21","18:00:00",""
"4346149","13.2","0.0019","17.8552","0.0019","9.0813","0.0013","90","","90","","90","","2140.4","0.5","150","","150","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H22 Fe N6 Se2 -","- C18 H22 Fe N6 Se2 -","- C72 H88 Fe4 N24 Se8 -","4","0.5","","Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine","Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.","Inorganic chemistry","2015","54","11","5145","5147","10.1021/acs.inorgchem.5b00629","","","0.71073","MoKα","","0.0841","0.0424","","","0.0601","0.0696","","","","","","0.991","","","","has coordinates","231632","2020-10-21","18:00:00",""
"4346150","39.457","0.006","17.701","0.003","8.9839","0.0012","90","","90","","90","","6274.6","1.7","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H22 Fe N6 Se2 -","- C18 H22 Fe N6 Se2 -","- C216 H264 Fe12 N72 Se24 -","12","1.5","","Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine","Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.","Inorganic chemistry","2015","54","11","5145","5147","10.1021/acs.inorgchem.5b00629","","","0.71073","MoKα","","0.0924","0.0521","","","0.1054","0.1318","","","","","","1.071","","","","has coordinates","231632","2020-10-21","18:00:00",""
"4346151","20.8587","0.0015","7.6812","0.0005","15.6355","0.0009","90","","124.424","0.002","90","","2066.4","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Fe N6 Se2 -","- C18 H22 Fe N6 Se2 -","- C72 H88 Fe4 N24 Se8 -","4","0.5","","Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine","Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.","Inorganic chemistry","2015","54","11","5145","5147","10.1021/acs.inorgchem.5b00629","","","0.71076","MoKα","","0.0371","0.0258","","","0.0527","0.0569","","","","","","1.055","","","","has coordinates","231632","2020-10-21","18:00:00",""
"4346152","9.4818","0.0004","14.9847","0.0005","23.9343","0.0009","90","","94.324","0.002","90","","3391","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Br2 N4 O0.5 Zn -","- C29 H44 Br2 N4 Zn -","- C116 H176 Br8 N16 Zn4 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","1.54178","CuKα","","0.07","0.0586","","","0.1617","0.1692","","","","","","1.057","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346153","22.781","0.006","8.174","0.002","19.867","0.005","90","","109.962","0.004","90","","3477.2","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Cl2 F6 N4 P Zn -","- C29 H45 Cl2 F6 N4 P Zn -","- C116 H180 Cl8 F24 N16 P4 Zn4 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.1154","0.0731","","","0.1371","0.1524","","","","","","1.157","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346154","8.882","0.003","14.769","0.006","23.854","0.009","90","","90.435","0.006","90","","3129","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cl2 N4 Zn -","- C29 H44 Cl2 N4 Zn -","- C116 H176 Cl8 N16 Zn4 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.1372","0.0856","","","0.1951","0.23","","","","","","1.192","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346155","8.8457","0.0006","16.1012","0.0011","12.9373","0.0009","90","","104.384","0.001","90","","1784.9","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H49 F6 Fe N4 O3 P -","- C32 H49 F6 Fe N4 O3 P -","- C64 H98 F12 Fe2 N8 O6 P2 -","2","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.0312","0.0303","","","0.0816","0.0824","","","","","","1.035","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346156","22.9535","0.0012","8.2584","0.0004","20.1565","0.001","90","","110.834","0.004","90","","3571","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Br2 F6 N4 P Zn -","- C29 H45 Br2 F6 N4 P Zn -","- C116 H180 Br8 F24 N16 P4 Zn4 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","1.54178","CuKα","","0.0591","0.0396","","","0.0918","0.0994","","","","","","1.003","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346157","9.968","0.002","12.541","0.003","24.039","0.005","90","","97.438","0.003","90","","2979.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Fe N4 O2 -","- C31 H44 Fe N4 O2 -","- C124 H176 Fe4 N16 O8 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.0991","0.0846","","","0.1824","0.1916","","","","","","1.273","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346158","9.208","0.0004","14.4659","0.0006","24.0705","0.001","90","","92.834","0.001","90","","3202.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cl2 Fe N4 -","- C29 H44 Cl2 Fe N4 -","- C116 H176 Cl8 Fe4 N16 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.0894","0.0581","","","0.1407","0.159","","","","","","1.072","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346159","9.442","0.002","13.84","0.003","27.705","0.006","90","","91.521","0.004","90","","3619.1","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.25 H48 Cl2 F6 Fe N4 P -","- C29 H45 Cl2 F6 Fe N4 P -","- C116 H180 Cl8 F24 Fe4 N16 P4 -","4","1","","Delgado, Mayra; Sommer, Samantha K.; Swanson, Seth P.; Berger, Robert F.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.","Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes.","Inorganic chemistry","2015","54","15","7239","7248","10.1021/acs.inorgchem.5b00633","","","0.71073","MoKα","","0.1395","0.0986","","","0.2331","0.248","","","","","","1.116","","","","has coordinates","231633","2020-10-21","18:00:00",""
"4346160","22.996","0.003","9.6235","0.001","20.482","0.002","90","","110.125","0.002","90","","4256","0.8","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HOLNW02","","","- C48 H63 Co N4 -","- C48 H63 Co N4 -","- C192 H252 Co4 N16 -","4","1","","Bonyhady, Simon J.; Goldberg, Jonathan M.; Wedgwood, Nicole; Dugan, Thomas R.; Eklund, Andrew G.; Brennessel, William W.; Holland, Patrick L.","Cobalt(II) Complex of a Diazoalkane Radical Anion.","Inorganic chemistry","2015","54","11","5148","5150","10.1021/acs.inorgchem.5b00673","","","0.71073","MoKα","","0.1158","0.0614","","","0.1308","0.1562","","","","","","0.997","","","","has coordinates","231634","2020-10-21","18:00:00",""
"4346161","12.623","0.002","9.6011","0.0018","17.401","0.003","90","","97.137","0.004","90","","2092.6","0.6","100","0.5","100","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","holtd37","","","- C48 H63 Co N3 -","- C48 H63 Co N3 -","- C96 H126 Co2 N6 -","2","1","","Bonyhady, Simon J.; Goldberg, Jonathan M.; Wedgwood, Nicole; Dugan, Thomas R.; Eklund, Andrew G.; Brennessel, William W.; Holland, Patrick L.","Cobalt(II) Complex of a Diazoalkane Radical Anion.","Inorganic chemistry","2015","54","11","5148","5150","10.1021/acs.inorgchem.5b00673","","","0.71073","MoKα","","0.1075","0.0636","","","0.1336","0.1522","","","","","","0.923","","","","has coordinates","231634","2020-10-21","18:00:00",""
"4346162","17.143","0.0001","17.143","0.0001","49.0687","0.0006","90","","90","","90","","14420.4","0.2","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C68 H52 Ir2 N8 O12 Zn -","- C68 H52 Ir2 N8 O12 Zn -","- C544 H416 Ir16 N64 O96 Zn8 -","8","0.5","","Li, Lina; Zhang, Shuquan; Xu, Yingying; Zhao, Sangen; Sun, Zhihua; Luo, Junhua","Dynamic entangled framework based on an iridium-organic unit showing reversible luminescence turn-on sensing.","Inorganic chemistry","2015","54","18","8872","8874","10.1021/acs.inorgchem.5b00682","","","1.54184","CuKα","","0.0371","0.0347","","","0.0911","0.0934","","","","","","1.105","","","","has coordinates","231635","2020-10-21","18:00:00",""
"4346163","10.4489","0.0006","12.8038","0.0009","12.9986","0.0008","85.319","0.002","71.8323","0.0017","80.4085","0.0018","1628.42","0.18","160","","160","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.0461","","","","0.1411","","","","","","1.001","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346164","10.4327","0.0007","12.8003","0.001","12.9805","0.001","85.205","0.003","71.7365","0.0019","80.44","0.003","1622.3","0.2","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.0464","","","","0.1398","","","","","","1.001","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346165","10.4153","0.0007","12.7968","0.0007","12.9483","0.0008","85.0343","0.0014","71.6652","0.0015","80.4066","0.0015","1614.19","0.17","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.0406","","","","0.1083","","","","","","1","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346166","10.504","0.01","12.701","0.009","12.861","0.01","85.29","0.03","69.45","0.03","83.72","0.03","1595","2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.0739","","","","0.2062","","","","","","0.846","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346167","10.3701","0.0012","12.8069","0.0016","12.8779","0.0015","84.742","0.004","68.997","0.003","76.904","0.003","1555","0.3","95","","95","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.1013","","","","0.2909","","","","","","1.002","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346168","10.386","0.003","12.829","0.003","12.883","0.004","84.778","0.006","69.097","0.006","77.102","0.007","1563","0.8","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.1389","","","","0.314","","","","","","1","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346169","10.4175","0.0017","12.6237","0.0018","12.75","0.002","85.37","0.004","69.861","0.004","83.818","0.004","1563.3","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.1012","","","","0.2324","","","","","","1.001","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346170","10.4262","0.001","12.8104","0.0011","12.9668","0.0012","85.164","0.002","71.729","0.003","80.404","0.003","1620.6","0.3","143","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 Cl F6 Fe N9 P -","- C24 H39 Cl F6 Fe N9 P -","- C48 H78 Cl2 F12 Fe2 N18 P2 -","2","1","","Fujinami, Takeshi; Nishi, Koshiro; Hamada, Daisuke; Murakami, Keishiro; Matsumoto, Naohide; Iijima, Seiichiro; Kojima, Masaaki; Sunatsuki, Yukinari","Scan Rate Dependent Spin Crossover Iron(II) Complex with Two Different Relaxations and Thermal Hysteresis fac-[Fe(II)(HL(n-Pr))3]Cl·PF6 (HL(n-Pr) = 2-Methylimidazol-4-yl-methylideneamino-n-propyl).","Inorganic chemistry","2015","54","15","7291","7300","10.1021/acs.inorgchem.5b00701","","","0.71075","MoKα","","","0.0773","","","","0.1748","","","","","","1.004","","","","has coordinates","231637","2020-10-21","18:00:00",""
"4346171","10.6356","0.0006","30.7654","0.0014","12.2285","0.0008","90","","113.438","0.007","90","","3671.1","0.4","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Co N2 O4 -","- C40 H48 Co N2 O4 -","- C160 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.0935","0.0544","","","0.1242","0.1392","","","","","","0.988","","","","has coordinates","231638","2020-10-21","18:00:00",""
"4346172","10.6666","0.0004","29.4989","0.001","11.9245","0.0004","90","","112.564","0.004","90","","3464.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Co N2 O4 -","- C38 H48 Co N2 O4 -","- C152 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.0822","0.0494","","","0.0844","0.092","","","","","","1.017","","","","has coordinates","231639","2020-10-21","18:00:00",""
"4346173","10.64542","0.00012","29.8999","0.0003","12.07078","0.00016","90","","112.506","0.0015","90","","3549.47","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Co N2 O4 -","- C39 H48 Co N2 O4 -","- C156 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.033","0.0302","","","0.0815","0.0836","","","","","","1.037","","","","has coordinates,has disorder","231640","2020-10-21","18:00:00",""
"4346174","10.8586","0.0004","30.4249","0.0009","12.22","0.0005","90","","114.525","0.005","90","","3672.9","0.3","340","2","340","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 Co N2 O4 -","- C38 H48 Co N2 O4 -","- C152 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.148","0.0649","","","0.1474","0.1769","","","","","","0.994","","","","has coordinates","231641","2020-10-21","18:00:00",""
"4346175","10.7557","0.0005","31.4355","0.001","12.3761","0.0007","90","","115.365","0.007","90","","3781.1","0.4","375","2","375","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Co N2 O4 -","- C39 H48 Co N2 O4 -","- C156 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.1463","0.0721","","","0.1892","0.2214","","","","","","1.049","","","","has coordinates,has disorder","231642","2020-10-21","18:00:00",""
"4346176","10.6017","0.0005","31.7284","0.0015","12.2126","0.0007","90","","114.634","0.006","90","","3734.1","0.4","281","2","281","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Co N2 O4 -","- C40 H48 Co N2 O4 -","- C160 H192 Co4 N8 O16 -","4","0.5","","Bubnov, Michael P.; Skorodumova, Nina A.; Arapova, Alla V.; Smirnova, Natalia N.; Samsonov, Maxim A.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Lattice-Modulated Phase Transition Coupled with Redox-Isomeric Interconversion of o-Semiquinone-Catecholato into Bis(o-semiquinonato) Cobalt Complexes.","Inorganic chemistry","2015","54","16","7767","7773","10.1021/acs.inorgchem.5b00716","","","0.71073","MoKα","","0.1135","0.0549","","","0.1152","0.1361","","","","","","0.95","","","","has coordinates","231643","2020-10-21","18:00:00",""
"4346177","23.876","0.005","22.519","0.004","8.271","0.0018","90","","90","","90","","4447","1.6","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H42 N6 O4 S -","- C46 H42 N6 O4 S -","- C184 H168 N24 O16 S4 -","4","1","","Aich, Krishnendu; Goswami, Shyamaprosad; Das, Sangita; Mukhopadhyay, Chitrangada Das; Quah, Ching Kheng; Fun, Hoong-Kun","Cd(2+) Triggered the FRET ""ON"": A New Molecular Switch for the Ratiometric Detection of Cd(2+) with Live-Cell Imaging and Bound X-ray Structure.","Inorganic chemistry","2015","54","15","7309","7315","10.1021/acs.inorgchem.5b00784","","","0.71073","MoKα","","0.1263","0.0703","","","0.1721","0.2026","","","","","","1.068","","","","has coordinates","231644","2020-10-21","18:00:00",""
"4346178","12.376","0.003","14.329","0.004","14.985","0.004","103.165","0.003","106.203","0.003","108.041","0.003","2278.2","1","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H41 Cd2 Cl5 N6 O4 S -","- C46 H41 Cd2 Cl5 N6 O4 S -","- C92 H82 Cd4 Cl10 N12 O8 S2 -","2","1","","Aich, Krishnendu; Goswami, Shyamaprosad; Das, Sangita; Mukhopadhyay, Chitrangada Das; Quah, Ching Kheng; Fun, Hoong-Kun","Cd(2+) Triggered the FRET ""ON"": A New Molecular Switch for the Ratiometric Detection of Cd(2+) with Live-Cell Imaging and Bound X-ray Structure.","Inorganic chemistry","2015","54","15","7309","7315","10.1021/acs.inorgchem.5b00784","","","0.71073","MoKα","","0.1011","0.0692","","","0.1886","0.2151","","","","","","1.03","","","","has coordinates","231645","2020-10-21","18:00:00",""
"4346179","18.9177","0.0006","19.2984","0.0006","28.0714","0.0009","70.56","0.002","76.612","0.002","68.315","0.002","8911","0.5","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","tetrakis(m-phenylenebis(dihexanoylmethanato))bis(methanol)tetracopper chloroform solvate","","","- C142 H210 Cl36 Cu4 O18 -","- C142 H209 Cl36 Cu4 O18 -","- C284 H418 Cl72 Cu8 O36 -","2","1","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54178","CuKα","","0.0903","0.077","","","0.2191","0.228","","","","","","1.445","","","","has coordinates","231646","2020-10-21","18:00:00",""
"4346180","19.366","0.005","19.366","0.005","19.977","0.005","90","","90","","90","","7492","3","90","2","90","0.5","","","","","","","","5","I 4/m","-I 4","87","tetrakis(5-methoxy-1,3-phenylenebis(acetylacetonato))diaquatetracopper chloroform-water solvate","","","- C80 H84 Cl36 Cu4 O30 -","- C80 H84 Cl36 Cu4 O30 -","- C160 H168 Cl72 Cu8 O60 -","2","0.125","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","0.71073","MoKα","","0.1045","0.0949","","","0.262","0.2701","","","","","","1.057","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346181","25.5002","0.0006","25.5002","0.0006","17.3192","0.0006","90","","90","","90","","11262","0.5","90","0.5","90","0.5","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","tetrakis(2-methoxy-1,3-phenylenebis(dipropionylmethanato))tetracopper acetonitrile solvate","","","- C97.5 H124.25 Cu4 N6.75 O20 -","- C84 H104 Cu4 O20 -","- C336 H416 Cu16 O80 -","4","0.25","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.0465","0.0435","","","0.1362","0.1392","","","","","","1.069","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346182","15.0156","0.0006","18.8496","0.0006","19.2634","0.0006","64.513","0.001","86.865","0.002","67.69","0.002","4514.5","0.3","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-bis(4-pyridyl)ethylene)bis(methanol)tetracopper chloroform solvate","","","- C152 H218 Cl30 Cu4 N2 O18 -","- C152 H218 Cl30 Cu4 N2 O18 -","- C152 H218 Cl30 Cu4 N2 O18 -","1","0.5","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.0725","0.0664","","","0.1717","0.1774","","","","","","1.031","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346183","15.0928","0.0007","18.3346","0.0008","19.543","0.0008","63.868","0.002","87.85","0.002","68.842","0.002","4480","0.4","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-bis(4-pyridyl)ethane)bis(methanol)tetracopper chloroform solvate","","","- C152 H222 Cl30 Cu4 N2 O18 -","- C152 H222 Cl30 Cu4 N2 O18 -","- C152 H222 Cl30 Cu4 N2 O18 -","1","0.5","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.0937","0.0837","","","0.222","0.2339","","","","","","1.054","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346184","14.2042","0.0006","16.1861","0.0007","18.4464","0.0007","70.092","0.002","72.882","0.002","81.304","0.002","3804.8","0.3","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","tetrakis(5-butoxy-1,3-phenylenebis(acetylacetonato))- (mu-4,4'-bipyridine)tetracopper chloroform solvate","","","- C106 H120 Cl48 Cu4 N2 O20 -","- C98 H112 Cl24 Cu4 N2 O20 -","- C98 H112 Cl24 Cu4 N2 O20 -","1","0.5","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54178","CuKα","","0.0584","0.0507","","","0.1222","0.1262","","","","","","1.08","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346185","15.8296","0.0006","17.7754","0.0006","17.9684","0.0006","75.077","0.002","67.686","0.002","70.555","0.002","4360.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-C60fullerene)tetracopper o-dichlorobenzene solvate","","","- C212 H208 Cl8 Cu4 O16 -","- C212 H208 Cl8 Cu4 O16 -","- C212 H208 Cl8 Cu4 O16 -","1","0.5","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.0959","0.0881","","","0.2374","0.2456","","","","","","1.03","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346186","16.2905","0.0008","21.8084","0.0011","50.315","0.002","91.494","0.002","96.362","0.002","90.947","0.002","17755.9","1.4","90","2","90","2","","","","","","","","5","P 1","P 1","1","tetrakis(m-phenylenebis(dihexanoylmethanato))- (mu-C70fullerene)tetracopper o-dichlorobenzene solvate","","","- C217.5 H205 Cl6.5 Cu4 O16 -","- C217.5 H205 Cl6.5 Cu4 O16 -","- C870 H820 Cl26 Cu16 O64 -","4","4","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.1579","0.138","","","0.345","0.3738","","","","","","2.67","","","","has coordinates,has disorder","287881","2023-11-30","10:45:55",""
"4346187","11.6142","0.0003","16.371","0.0004","18.6228","0.0004","106.362","0.001","91.066","0.002","103.144","0.002","3295.48","0.14","220","2","220","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H92 B2 Cl2 F4 N4 P2 Pt -","- C67 H92 B2 Cl2 F4 N4 P2 Pt -","- C134 H184 B4 Cl4 F8 N8 P4 Pt2 -","2","1","","Zhong, Fangfang; Karatay, Ahmet; Zhao, Liang; Zhao, Jianzhang; He, Cheng; Zhang, Caishun; Yaglioglu, Halime Gul; Elmali, Ayhan; Küçüköz, Betül; Hayvali, Mustafa","Broad-Band N(∧)N Pt(II) Bisacetylide Visible Light Harvesting Complex with Heteroleptic Bodipy Acetylide Ligands.","Inorganic chemistry","2015","54","16","7803","7817","10.1021/acs.inorgchem.5b00822","","","0.71073","MoKα","","0.0431","0.0374","","","0.086","0.0884","","","","","","1.059","","","","has coordinates","231647","2020-10-21","18:00:00",""
"4346188","11.503","0.0003","16.6531","0.0004","17.2268","0.0004","72.083","0.001","84.635","0.002","84.876","0.001","3119.79","0.13","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 B2 F4 N6 Pt -","- C60 H60 B2 F4 N6 Pt -","- C120 H120 B4 F8 N12 Pt2 -","2","1","","Zhong, Fangfang; Karatay, Ahmet; Zhao, Liang; Zhao, Jianzhang; He, Cheng; Zhang, Caishun; Yaglioglu, Halime Gul; Elmali, Ayhan; Küçüköz, Betül; Hayvali, Mustafa","Broad-Band N(∧)N Pt(II) Bisacetylide Visible Light Harvesting Complex with Heteroleptic Bodipy Acetylide Ligands.","Inorganic chemistry","2015","54","16","7803","7817","10.1021/acs.inorgchem.5b00822","","","0.71073","MoKα","","0.0299","0.0265","","","0.0697","0.0709","","","","","","1.04","","","","has coordinates","231648","2020-10-21","18:00:00",""
"4346189","8.4131","0.0005","11.6567","0.0007","13.0591","0.0008","79.327","0.001","89.559","0.001","69.031","0.001","1172.79","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 Ir N2 P2 -","- C20 H42 Ir N2 P2 -","- C40 H84 Ir2 N4 P4 -","2","1","","Scheibel, Markus G.; Abbenseth, Josh; Kinauer, Markus; Heinemann, Frank W.; Würtele, Christian; de Bruin, Bas; Schneider, Sven","Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium ammine, amide, imide, and nitride species.","Inorganic chemistry","2015","54","19","9290","9302","10.1021/acs.inorgchem.5b00829","","","0.71073","MoKα","","0.0183","0.0163","","","0.0361","0.0369","","","","","","1.039","","","","has coordinates","231649","2020-10-21","18:00:00",""
"4346190","10.9851","0.001","12.488","0.0012","12.5346","0.0012","103.831","0.002","90.905","0.002","97.413","0.002","1653.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H51 F6 Ir N2 O P2 Sb -","- C24 H51 F6 Ir N2 O P2 Sb -","- C48 H102 F12 Ir2 N4 O2 P4 Sb2 -","2","1","","Scheibel, Markus G.; Abbenseth, Josh; Kinauer, Markus; Heinemann, Frank W.; Würtele, Christian; de Bruin, Bas; Schneider, Sven","Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium ammine, amide, imide, and nitride species.","Inorganic chemistry","2015","54","19","9290","9302","10.1021/acs.inorgchem.5b00829","","","0.56086","AgKα","","0.0201","0.0159","","","0.033","0.0347","","","","","","1.046","","","","has coordinates,has disorder","231649","2020-10-21","18:00:00",""
"4346191","7.7625","0.0019","28.319","0.007","12.879","0.003","90","","103.127","0.003","90","","2757.2","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 F6 Ir N2 P2 Sb -","- C20 H42 F6 Ir N2 P2 Sb -","- C80 H168 F24 Ir4 N8 P8 Sb4 -","4","1","","Scheibel, Markus G.; Abbenseth, Josh; Kinauer, Markus; Heinemann, Frank W.; Würtele, Christian; de Bruin, Bas; Schneider, Sven","Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium ammine, amide, imide, and nitride species.","Inorganic chemistry","2015","54","19","9290","9302","10.1021/acs.inorgchem.5b00829","","","0.56086","AgKα","","0.0205","0.0185","","","0.0351","0.0358","","","","","","1.106","","","","has coordinates","231649","2020-10-21","18:00:00",""
"4346192","17.2231","0.0004","14.571","0.0002","27.9052","0.0006","90","","90","","90","","7003","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cl4 N6 Pt2 S2 -","- C35 H24 Cl4 N6 Pt2 S2 -","- C280 H192 Cl32 N48 Pt16 S16 -","8","1","","Sicilia, V.; Baya, M.; Borja, P.; Martín, A","Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.","Inorganic chemistry","2015","54","15","7316","7324","10.1021/acs.inorgchem.5b00846","","","0.71073","MoKα","","0.0317","0.0201","","","0.0369","0.0377","","","","","","1.008","","","","has coordinates","231650","2020-10-21","18:00:00",""
"4346193","11.5273","0.0002","14.2658","0.0002","24.2312","0.0003","86.954","0.001","83.449","0.001","81.995","0.001","3917.33","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Br2 N6 O2 Pt2 S2 -","- C42 H38 Br2 N6 O2 Pt2 S2 -","- C168 H152 Br8 N24 O8 Pt8 S8 -","4","2","","Sicilia, V.; Baya, M.; Borja, P.; Martín, A","Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.","Inorganic chemistry","2015","54","15","7316","7324","10.1021/acs.inorgchem.5b00846","","","0.71073","MoKα","","0.069","0.0486","","","0.1035","0.1126","","","","","","1.051","","","","has coordinates","231650","2020-10-21","18:00:00",""
"4346194","15.6909","0.0003","13.1625","0.0002","19.3423","0.0004","90","","107.14","0.002","90","","3817.37","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl4 I2 N6 Pt2 S2 -","- C36 H26 Cl4 I2 N6 Pt2 S2 -","- C144 H104 Cl16 I8 N24 Pt8 S8 -","4","1","","Sicilia, V.; Baya, M.; Borja, P.; Martín, A","Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.","Inorganic chemistry","2015","54","15","7316","7324","10.1021/acs.inorgchem.5b00846","","","0.71073","MoKα","","0.0311","0.0273","","","0.0634","0.0652","","","","","","1.063","","","","has coordinates,has disorder","231650","2020-10-21","18:00:00",""
"4346195","18.193","0.005","8.555","0.002","18.344","0.005","90","","117.781","0.003","90","","2526","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","09170b","","","- C18 H36 Cl2 Fe N6 O8 -","- C18 H36 Cl2 Fe N6 O8 -","- C72 H144 Cl8 Fe4 N24 O32 -","4","1","","England, Jason; Prakash, Jai; Cranswick, Matthew A.; Mandal, Debasish; Guo, Yisong; Münck, Eckard; Shaik, Sason; Que, Jr, Lawrence","Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC.","Inorganic chemistry","2015","54","16","7828","7839","10.1021/acs.inorgchem.5b00861","","","0.71073","MoKα","","0.0648","0.0562","","","0.145","0.1515","","","","","","1.066","","","","has coordinates","231651","2020-10-21","18:00:00",""
"4346196","7.0062","0.0002","13.4709","0.0005","13.8003","0.0005","106.528","0.002","91.222","0.002","92.264","0.002","1246.96","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24.65 Cl2 Co N4 O3.33 -","- C28 H24.648 Cl2 Co N4 O3.324 -","- C56 H49.296 Cl4 Co2 N8 O6.648 -","2","1","","Tong, Lianpeng; Kopecky, Andrew; Zong, Ruifa; Gagnon, Kevin J.; Ahlquist, Mårten S G; Thummel, Randolph P.","Light-Driven Proton Reduction in Aqueous Medium Catalyzed by a Family of Cobalt Complexes with Tetradentate Polypyridine-Type Ligands.","Inorganic chemistry","2015","54","16","7873","7884","10.1021/acs.inorgchem.5b00915","","","0.7749","synchrotron","","0.0494","0.0343","","","0.0766","0.0831","","","","","","1.025","","","","has coordinates,has disorder","231652","2020-10-21","18:00:00",""
"4346197","10.51","0.0004","28.3361","0.001","14.4875","0.0005","90","","105.128","0.002","90","","4165","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H36.39 Cl4 Co2 N8 O1.19 -","- C49 H32 Cl4 Co2 N8 O1.193 -","- C196 H128 Cl16 Co8 N32 O4.772 -","4","1","","Tong, Lianpeng; Kopecky, Andrew; Zong, Ruifa; Gagnon, Kevin J.; Ahlquist, Mårten S G; Thummel, Randolph P.","Light-Driven Proton Reduction in Aqueous Medium Catalyzed by a Family of Cobalt Complexes with Tetradentate Polypyridine-Type Ligands.","Inorganic chemistry","2015","54","16","7873","7884","10.1021/acs.inorgchem.5b00915","","","0.7749","synchrotron","","0.0805","0.0508","","","0.1127","0.1244","","","","","","1.025","","","","has coordinates,has disorder","231653","2020-10-21","18:00:00",""
"4346198","24.2453","0.0016","15.649","0.002","20.561","0.003","90","","90","","90","","7801.1","1.6","200","2","200.01","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C62 H43 B2 F42 N9 Zn -","- C62 H43 B2 F42 N9 Zn -","- C248 H172 B8 F168 N36 Zn4 -","4","1","","Kulkarni, Naveen V.; Das, Animesh; Jayaratna, Naleen B.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Zinc-Mediated Carbene Insertion to C-Cl Bonds of Chloromethanes and Isolable Zinc(II) Isocyanide Adducts.","Inorganic chemistry","2015","54","11","5151","5153","10.1021/acs.inorgchem.5b00929","","","0.71073","MoKα","","0.0981","0.0726","","","0.1942","0.2125","","","","","","1.06","","","","has coordinates,has disorder","231654","2020-10-21","18:00:00",""
"4346199","17.9929","0.0015","17.0158","0.0014","23.9","0.002","90","","109.678","0.0017","90","","6890","1","130","2","130.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H34 B2 F42 N8 Zn -","- C57 H34 B2 F42 N8 Zn -","- C228 H136 B8 F168 N32 Zn4 -","4","1","","Kulkarni, Naveen V.; Das, Animesh; Jayaratna, Naleen B.; Yousufuddin, Muhammed; Dias, H. V. Rasika","Zinc-Mediated Carbene Insertion to C-Cl Bonds of Chloromethanes and Isolable Zinc(II) Isocyanide Adducts.","Inorganic chemistry","2015","54","11","5151","5153","10.1021/acs.inorgchem.5b00929","","","0.71073","MoKα","","0.1435","0.0771","","","0.2019","0.2509","","","","","","1.026","","","","has coordinates,has disorder","231654","2020-10-21","18:00:00",""
"4346200","18.719","0.0017","19.0419","0.0017","27.187","0.002","90","","104.993","0.001","90","","9360.8","1.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H157 Fe2 O4 -","- C99 H157 Fe2 O4 -","- C396 H628 Fe8 O16 -","4","1","","Zhao, Pei; Lei, Hao; Ni, Chengbao; Guo, Jing-Dong; Kamali, Saeed; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Nagase, Shigeru; Power, Philip P.","Quasi-three-coordinate iron and cobalt terphenoxide complexes {Ar(iPr8)OM(μ-O)}2 (Ar(iPr8) = C6H-2,6-(C6H2-2,4,6-(i)Pr3)2-3,5-(i)Pr2; M = Fe or Co) with M(III)2(μ-O)2 core structures and the peroxide dimer of 2-oxepinoxy relevant to benzene oxidation.","Inorganic chemistry","2015","54","18","8914","8922","10.1021/acs.inorgchem.5b00930","","","0.71073","MoKα","","0.1525","0.0596","","","0.1411","0.1662","","","","","","0.94","","","","has coordinates,has disorder","231656","2020-10-21","18:00:00",""
"4346201","18.6608","0.0014","19.1055","0.0015","26.822","0.002","90","","105.368","0.001","90","","9220.8","1.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H157 Co2 O4 -","- C99 H157 Co2 O4 -","- C396 H628 Co8 O16 -","4","1","","Zhao, Pei; Lei, Hao; Ni, Chengbao; Guo, Jing-Dong; Kamali, Saeed; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Nagase, Shigeru; Power, Philip P.","Quasi-three-coordinate iron and cobalt terphenoxide complexes {Ar(iPr8)OM(μ-O)}2 (Ar(iPr8) = C6H-2,6-(C6H2-2,4,6-(i)Pr3)2-3,5-(i)Pr2; M = Fe or Co) with M(III)2(μ-O)2 core structures and the peroxide dimer of 2-oxepinoxy relevant to benzene oxidation.","Inorganic chemistry","2015","54","18","8914","8922","10.1021/acs.inorgchem.5b00930","","","0.71073","MoKα","","0.0751","0.0471","","","0.1123","0.1303","","","","","","1.05","","","","has coordinates,has disorder","231656","2020-10-21","18:00:00",""
"4346202","22.8542","0.0009","10.1193","0.0004","33.3249","0.0012","90","","108.148","0.002","90","","7323.6","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C84 H122 O6 -","- C84 H122 O6 -","- C336 H488 O24 -","4","0.5","","Zhao, Pei; Lei, Hao; Ni, Chengbao; Guo, Jing-Dong; Kamali, Saeed; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Nagase, Shigeru; Power, Philip P.","Quasi-three-coordinate iron and cobalt terphenoxide complexes {Ar(iPr8)OM(μ-O)}2 (Ar(iPr8) = C6H-2,6-(C6H2-2,4,6-(i)Pr3)2-3,5-(i)Pr2; M = Fe or Co) with M(III)2(μ-O)2 core structures and the peroxide dimer of 2-oxepinoxy relevant to benzene oxidation.","Inorganic chemistry","2015","54","18","8914","8922","10.1021/acs.inorgchem.5b00930","","","1.54178","CuKα","","0.0677","0.0539","","","0.1434","0.1539","","","","","","1.023","","","","has coordinates,has disorder","231656","2020-10-21","18:00:00",""
"4346203","8.349","0.0004","18.9527","0.001","5.9129","0.0003","90","","95.581","0.003","90","","931.2","0.08","110","2","110.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Mn2(bipym)V4O12","","- C4 H3.61 Mn N2 O6.31 V2 -","- C4 H3.612 Mn N2 O6.305 V2 -","- C16 H14.448 Mn4 N8 O25.22 V8 -","4","0.5","","Luo, Lan; Zeng, Yuhan; Li, Le; Luo, Zhixiang; Smirnova, Tatyana I.; Maggard, Paul A.","Manganese-Vanadate Hybrids: Impact of Organic Ligands on Their Structures, Thermal Stabilities, Optical Properties, and Photocatalytic Activities.","Inorganic chemistry","2015","54","15","7388","7401","10.1021/acs.inorgchem.5b00931","","","0.71073","MoKα","","0.0513","0.0332","","","0.0685","0.0737","","","","","","1.086","","","","has coordinates","231658","2020-10-21","18:00:00",""
"4346204","6.9073","0.0012","11.211","0.0019","13.094","0.003","106.749","0.014","102.05","0.014","106.448","0.01","883.5","0.3","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Mn N3 O7 V2 -","- C15 H13 Mn N3 O7 V2 -","- C30 H26 Mn2 N6 O14 V4 -","2","1","","Luo, Lan; Zeng, Yuhan; Li, Le; Luo, Zhixiang; Smirnova, Tatyana I.; Maggard, Paul A.","Manganese-Vanadate Hybrids: Impact of Organic Ligands on Their Structures, Thermal Stabilities, Optical Properties, and Photocatalytic Activities.","Inorganic chemistry","2015","54","15","7388","7401","10.1021/acs.inorgchem.5b00931","","","0.71073","MoKα","","0.0492","0.0388","","","0.0971","0.1022","","","","","","1.049","","","","has coordinates","231659","2020-10-21","18:00:00",""
"4346205","15.324","0.002","14.14","0.007","25.099","0.009","90","","90.201","0.019","90","","5438","3","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 N4 O3 Ti3 -","- C57 H72 N4 O3 Ti3 -","- C228 H288 N16 O12 Ti12 -","4","1","","Carbó, Jorge J; García-López, Diego; González-Del Moral, Octavio; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.","Inorganic chemistry","2015","54","19","9401","9412","10.1021/acs.inorgchem.5b00943","","x-ray","0.71073","MoKα","","0.142","0.0815","","","0.1882","0.2316","","","","","","1.178","","","","has coordinates","231660","2020-10-21","18:00:00",""
"4346206","12.198","0.002","12.518","0.003","17.154","0.003","94.036","0.017","94.281","0.017","104.016","0.012","2523.6","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H71 N3 O3 Ti3 -","- C55 H71 N3 O3 Ti3 -","- C110 H142 N6 O6 Ti6 -","2","1","","Carbó, Jorge J; García-López, Diego; González-Del Moral, Octavio; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.","Inorganic chemistry","2015","54","19","9401","9412","10.1021/acs.inorgchem.5b00943","","x-ray","0.71073","MoKα","","0.0852","0.0467","","","0.1078","0.1303","","","","","","1.093","","","","has coordinates,has disorder","231660","2020-10-21","18:00:00",""
"4346207","15.883","0.005","16.313","0.006","18.762","0.002","90","","115.979","0.014","90","","4370","2","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H124 N6 O6 Ti6 -","- C86 H124 N6 O6 Ti6 -","- C172 H248 N12 O12 Ti12 -","2","0.5","","Carbó, Jorge J; García-López, Diego; González-Del Moral, Octavio; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.","Inorganic chemistry","2015","54","19","9401","9412","10.1021/acs.inorgchem.5b00943","","x-ray","0.71073","MoKα","","0.1752","0.0717","","","0.1383","0.1813","","","","","","0.887","","","","has coordinates,has disorder","231660","2020-10-21","18:00:00",""
"4346208","12.857","0.002","21.714","0.005","17.775","0.004","90","","121.825","0.016","90","","4216.3","1.7","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 N O4 Ti3 -","- C44 H57 N O4 Ti3 -","- C176 H228 N4 O16 Ti12 -","4","1","","Carbó, Jorge J; García-López, Diego; González-Del Moral, Octavio; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.","Inorganic chemistry","2015","54","19","9401","9412","10.1021/acs.inorgchem.5b00943","","x-ray","0.71073","MoKα","","0.132","0.0875","","","0.188","0.2125","","","","","","1.223","","","","has coordinates","231660","2020-10-21","18:00:00",""
"4346209","12.8055","0.0014","21.745","0.003","15.4291","0.0014","90","","103.121","0.009","90","","4184.2","0.8","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 N O4 Ti3 -","- C44 H57 N O4 Ti3 -","- C176 H228 N4 O16 Ti12 -","4","1","","Carbó, Jorge J; García-López, Diego; González-Del Moral, Octavio; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Carbon-nitrogen bond construction and carbon-oxygen double bond cleavage on a molecular titanium oxonitride: a combined experimental and computational study.","Inorganic chemistry","2015","54","19","9401","9412","10.1021/acs.inorgchem.5b00943","","x-ray","0.71073","MoKα","","0.1705","0.0709","","","0.1503","0.1882","","","","","","1.038","","","","has coordinates","231660","2020-10-21","18:00:00",""
"4346210","16.004","0.006","32.442","0.013","24.564","0.009","90","","90","","90","","12754","8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H109 Cl11 F12 Ir2 P10 Pd2 -","- C101.5 H109 Cl11 F12 Ir2 P10 Pd2 -","- C406 H436 Cl44 F48 Ir8 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.71075","MoKα","","","0.1043","","","","0.296","","","","","","0.869","","","","has coordinates","231661","2020-10-21","18:00:00",""
"4346211","31.179","0.003","17.7556","0.001","17.8256","0.0016","90","","120.586","0.003","90","","8495.3","1.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H74 Au2 Cl6 F12 P10 Pd2 -","- C80 H40 Au2 Cl6 F12 P10 Pd2 -","- C320 H160 Au8 Cl24 F48 P40 Pd8 -","4","0.5","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.71075","MoKα","","","0.0748","","","","0.2253","","","","","","1.1","","","","has coordinates","231661","2020-10-21","18:00:00",""
"4346212","11.0576","0.0002","22.1513","0.0007","27.3243","0.0009","90","","95.9128","0.0005","90","","6657.2","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H63 F12 N3 P6 Pd2 -","- C66 H63 F12 N3 P6 Pd2 -","- C264 H252 F48 N12 P24 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.7107","MoKα","","","0.0328","","","","0.0754","","","","","","1.022","","","","has coordinates","231662","2020-10-21","18:00:00",""
"4346213","12.3849","0.0002","12.3849","0.0002","50.5057","0.001","90","","90","","90","","7746.9","0.2","153","2","153","2","","","","","","","","6","P 41","P 4w","76","","","","- C79 H74 Cl2 F12 P10 Pd2 -","- C79 H74 Cl2 F12 P10 Pd2 -","- C316 H296 Cl8 F48 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.7107","MoKα","","","0.0402","","","","0.0963","","","","","","1.054","","","","has coordinates","231662","2020-10-21","18:00:00",""
"4346214","18.211","0.004","15.302","0.003","47.185","0.011","90","","94.298","0.003","90","","13112","5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C109 H126 Cl18 F12 O P10 Pd2 Rh2 -","- C109 H124 Cl18 F12 O P10 Pd2 Rh2 -","- C436 H496 Cl72 F48 O4 P40 Pd8 Rh8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.71075","MoKα","","","0.0888","","","","0.2456","","","","","","0.93","","","","has coordinates","231662","2020-10-21","18:00:00",""
"4346215","9.8071","0.0005","11.615","0.001","16.544","0.002","103.754","0.008","104.537","0.005","95.907","0.006","1745.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H64 N6 O28 Zn5 -","- C68 H42 N4 O24 Zn5 -","- C68 H42 N4 O24 Zn5 -","1","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Kassiba, Abdel Adi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Photo- and thermochromic and adsorption properties of porous coordination polymers based on bipyridinium carboxylate ligands.","Inorganic chemistry","2015","54","18","8923","8930","10.1021/acs.inorgchem.5b00975","","x-ray","0.71073","MoKα","","0.0936","0.0514","","","0.1237","0.1358","","","","","","1.059","","","","has coordinates","231663","2020-10-21","18:00:00",""
"4346216","11.497","0.001","33.542","0.003","12.106","0.001","90","","116.84","0.01","90","","4165.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N3 O17 Zn3 -","- C36 H30 N2 O15 Zn3 -","- C144 H120 N8 O60 Zn12 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Kassiba, Abdel Adi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Photo- and thermochromic and adsorption properties of porous coordination polymers based on bipyridinium carboxylate ligands.","Inorganic chemistry","2015","54","18","8923","8930","10.1021/acs.inorgchem.5b00975","","x-ray","1.54184","cukα","","0.0943","0.0765","","","0.1677","0.1774","","","","","","1.027","","","","has coordinates","231663","2020-10-21","18:00:00",""
"4346217","11.092","0.001","12.199","0.002","28.767","0.005","97.64","0.01","92.01","0.01","115.936","0.009","3450.4","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H121 N11 O52 Zn10 -","- C130 H94 N8 O48 Zn10 -","- C130 H94 N8 O48 Zn10 -","1","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Kassiba, Abdel Adi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Photo- and thermochromic and adsorption properties of porous coordination polymers based on bipyridinium carboxylate ligands.","Inorganic chemistry","2015","54","18","8923","8930","10.1021/acs.inorgchem.5b00975","","x-ray","0.71073","MoKα","","0.0833","0.0547","","","0.1391","0.1506","","","","","","1.042","","","","has coordinates","231663","2020-10-21","18:00:00",""
"4346218","11.478","0.001","12.3775","0.0008","25.794","0.003","80.25","0.009","88.094","0.009","65.252","0.009","3277","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H106 N8 O54 Zn10 -","- C124 H86 N8 O44 Zn10 -","- C124 H86 N8 O44 Zn10 -","1","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Kassiba, Abdel Adi; Bellat, Jean-Pierre; Weber, Guy; Bezverkhyy, Igor","Photo- and thermochromic and adsorption properties of porous coordination polymers based on bipyridinium carboxylate ligands.","Inorganic chemistry","2015","54","18","8923","8930","10.1021/acs.inorgchem.5b00975","","x-ray","0.71073","MoKα","","0.1035","0.0609","","","0.1626","0.1768","","","","","","1.059","","","","has coordinates","231663","2020-10-21","18:00:00",""
"4346219","27.468","0.003","27.468","","27.468","","90","","90","","90","","20724","2","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C21 H11.83 N O9.42 Zn2 -","- C21 H11.34 N O9.41667 Zn2 -","- C504 H272.16 N24 O226 Zn48 -","24","0.25","","Liu, Bo; Wu, Wei-Ping; Hou, Lei; Li, Zhi-Sen; Wang, Yao-Yu","Two nanocage-based metal-organic frameworks with mixed-cluster SBUs and CO2 sorption selectivity.","Inorganic chemistry","2015","54","18","8937","8942","10.1021/acs.inorgchem.5b00987","","","0.71073","MoKα","","0.1029","0.0961","","","0.2155","0.2189","","","","","","1.091","","","","has coordinates","231664","2020-10-21","18:00:00",""
"4346220","26.318","0.008","26.318","0.008","30.474","0.009","90","","90","","90","","21107","11","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C142 H91 Cl3 Mn13 N10 O62.5 -","- C142 H88 Cl3 Mn13 N10 O62.5 -","- C568 H352 Cl12 Mn52 N40 O250 -","4","0.25","","Liu, Bo; Wu, Wei-Ping; Hou, Lei; Li, Zhi-Sen; Wang, Yao-Yu","Two nanocage-based metal-organic frameworks with mixed-cluster SBUs and CO2 sorption selectivity.","Inorganic chemistry","2015","54","18","8937","8942","10.1021/acs.inorgchem.5b00987","","","0.71073","MoKα","","0.0783","0.0687","","","0.2077","0.2177","","","","","","1.137","","","","has coordinates","231665","2020-10-21","18:00:00",""
"4346221","12.7099","0.0007","12.2485","0.0006","14.8299","0.001","90","","90","","90","","2308.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[di-μ-oxido-bis-μ-[4-amino-4H-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)]","","- C4 H8 Mo2 N8 O6 -","- C4 H8 Mo2 N8 O6 -","- C32 H64 Mo16 N64 O48 -","8","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0343","0.021","","","0.0445","0.0459","","","","","","0.87","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346222","7.71946","0.00006","20.35701","0.00013","9.41202","0.00009","90","","99.2369","0.0008","90","","1459.87","0.02","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[di-μ-oxido-μ- [4-[3,5-dimethylpyrazol-4-yl]-4H-1,2,4-triazole- κ^4^N1:N2]-diaqua-tetraoxodimolybdenum(VI)]","","- C7 H13 Mo2 N5 O8 -","- C7 H13 Mo2 N5 O8 -","- C28 H52 Mo8 N20 O32 -","4","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0217","0.0184","","","0.0418","0.0433","","","","","","1.057","","","","has coordinates","231666","2020-10-21","18:00:00",""
"4346223","7.5725","0.0002","22.13","0.0003","9.426","0.0002","90","","98.541","0.002","90","","1562.09","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[di-μ-oxido-μ- [4-[3'-(tetrazol-5-yl)phenyl]-4H-1,2,4-triazole- κ^4^N1:N2]-diaqua-tetraoxodimolybdenum(VI)]","","- C9 H11 Mo2 N7 O8 -","- C9 H11 Mo2 N7 O8 -","- C36 H44 Mo8 N28 O32 -","4","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.025","0.0223","","","0.0497","0.0508","","","","","","1.143","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346224","7.209","0.0009","7.2984","0.001","13.5507","0.0012","89.506","0.011","81.088","0.01","87.361","0.011","703.6","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","poly[di-μ~3~-oxido-μ- [4-[4'-(2H-tetrazol-5-yl)phenyl]-4H-1,2,4-triazole- κ^2^N1:N2]-tetraoxodimolybdenum(VI)]","","- C9 H7 Mo2 N7 O6 -","- C9 H7 Mo2 N7 O6 -","- C18 H14 Mo4 N14 O12 -","2","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0444","0.0279","","","0.0623","0.0669","","","","","","0.973","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346225","13.3074","0.0009","11.6037","0.001","18.8502","0.0013","90","","90","","90","","2910.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[di-μ-oxido-μ~4~-[1,4-bis-(1,2,4-triazol-4-yl)benzene- κ^4^N1:N2:N1':N2']-tetraoxodimolybdenum(VI)] Monohydrate","","- C10 H10 Mo2 N6 O7 -","- C10 H8 Mo2 N6 O7 -","- C80 H64 Mo16 N48 O56 -","8","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0361","0.0235","","","0.05","0.0522","","","","","","0.956","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346226","12.5413","0.0009","17.265","0.0015","17.6107","0.0012","90","","90","","90","","3813.2","0.5","173","2","173","2","","","","","","","","5","F m m m","-F 2 2","69","","poly[di-μ-oxido-μ~4~-[1,3-bis-(1,2,4-triazol-4-yl)adamantane- κ^4^N1:N2:N1':N2']-tetraoxodimolybdenum(VI)] Monohydrate","","- C14 H20 Mo2 N6 O7 -","- C14 H20 Mo2 N6 O7 -","- C112 H160 Mo16 N48 O56 -","8","0.25","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0267","0.0204","","","0.0477","0.0489","","","","","","0.982","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346227","13.639","0.004","13.862","0.004","17.859","0.005","100.196","0.003","110.811","0.002","98.421","0.003","3024.9","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 Cl2 N12 O10 Os2 -","- C58 H46 Cl2 N12 O10 Os2 -","- C116 H92 Cl4 N24 O20 Os4 -","2","1","","Mandal, Abhishek; Grupp, Anita; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar","Varying Electronic Structures of Diosmium Complexes from Noninnocently Behaving Anthraquinone-Derived Bis-chelate Ligands.","Inorganic chemistry","2015","54","16","7936","7944","10.1021/acs.inorgchem.5b01017","","","0.7107","MoKα","","0.0562","0.0481","","","0.1115","0.116","","","","","","1.073","","","","has coordinates","231667","2020-10-21","18:00:00",""
"4346228","14.2055","0.0004","15.2008","0.0006","20.8007","0.0006","83.467","0.003","84.482","0.002","76.4","0.003","4326.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H140 Mn4 P4 Te4 -","- C79 H140 Mn4 P4 Te4 -","- C158 H280 Mn8 P8 Te8 -","2","1","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0633","0.0444","","","0.1049","0.1157","","","","","","1.032","","","","has coordinates","231668","2020-10-21","18:00:00",""
"4346229","9.5916","0.0004","19.4968","0.0015","23.8118","0.0014","90","","90","","90","","4452.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 Cl2 Mn4 N8 Te4 -","- C29 H50 Cl2 Mn4 N8 Te4 -","- C116 H200 Cl8 Mn16 N32 Te16 -","4","1","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0998","0.0854","","","0.2236","0.2403","","","","","","1.065","","","","has coordinates","231669","2020-10-21","18:00:00",""
"4346230","22.5903","0.0005","22.8156","0.0005","41.3011","0.0007","90","","90","","90","","21287.1","0.8","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C19 H56 Cl2 Mn6 P6 Te6 -","- C19 H56 Cl2 Mn6 P6 Te6 -","- C304 H896 Cl32 Mn96 P96 Te96 -","16","1","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","0.71073","MoKα","","0.0524","0.0406","","","0.0824","0.0868","","","","","","1.047","","","","has coordinates,has disorder","231670","2020-10-21","18:00:00",""
"4346231","23.6635","0.0003","10.83596","0.0001","23.9044","0.0003","90","","107.987","0.0012","90","","5829.93","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H92 Mn4 P4 Te4 -","- C43 H92 Mn4 P4 Te4 -","- C172 H368 Mn16 P16 Te16 -","4","0.5","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0237","0.0225","","","0.0542","0.055","","","","","","1.073","","","","has coordinates,has disorder","231671","2020-10-21","18:00:00",""
"4346232","14.1776","0.0004","14.6358","0.0007","14.9029","0.0008","61.056","0.005","83.162","0.004","87.953","0.003","2686","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H144 Mn8 N12 Te8 -","- C87 H144 Mn8 N12 Te8 -","- C87 H144 Mn8 N12 Te8 -","1","0.5","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0624","0.0443","","","0.1026","0.111","","","","","","1.024","","","","has coordinates,has disorder","231672","2020-10-21","18:00:00",""
"4346233","13.84818","0.00018","19.8259","0.0003","24.1907","0.0004","93.2204","0.0011","103.864","0.0012","97.4031","0.0011","6368.18","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H88 Mn4 N8 Te4 -","- C50.998 H87.994 Mn4 N7.999 Te4 -","- C203.992 H351.976 Mn16 N31.996 Te16 -","4","2","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","0.71073","MoKα","","0.0657","0.0466","","","0.0901","0.0977","","","","","","1.115","","","","has coordinates,has disorder","231673","2020-10-21","18:00:00",""
"4346234","13.17415","0.00005","13.17415","0.00005","13.17415","0.00005","90","","90","","90","","2286.48","0.015","100","0.1","100","0.1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C24 H60 Mn4 P4 Te4 -","- C24 H60 Mn4 P4 Te4 -","- C48 H120 Mn8 P8 Te8 -","2","0.0833333","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","0.71073","MoKα","","0.0125","0.0118","","","0.0284","0.0286","","","","","","1.194","","","","has coordinates","231674","2020-10-21","18:00:00",""
"4346235","20.8798","0.0006","14.5239","0.0004","22.4484","0.0007","90","","90","","90","","6807.6","0.3","100","","100","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H90 Mn6 P6 Te6 -","- C36 H90 Mn6 P6 Te6 -","- C144 H360 Mn24 P24 Te24 -","4","0.5","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0778","0.0787","","","","","","1.066","","","","has coordinates,has disorder","231675","2020-10-21","18:00:00",""
"4346236","14.2098","0.0002","12.7936","0.0002","34.4691","0.0005","90","","90","","90","","6266.29","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F12 Ni O2 P2 -","- C9 H6 F12 Ni O2 P2 -","- C144 H96 F192 Ni16 O32 P32 -","16","2","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0626","0.0339","","","0.0656","0.0724","","","","","","1.042","","","","has coordinates","231676","2020-10-21","18:00:00",""
"4346237","10.578","0.0013","15.81","0.003","14.448","0.003","90","","105.119","0.01","90","","2332.6","0.7","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C13 H8 F20 O4 P2 Pt -","- C13 H7 F20 O4 P2 Pt -","- C52 H28 F80 O16 P8 Pt4 -","4","2","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0492","0.0411","","","0.1","0.1072","","","","","","1.079","","","","has coordinates","231677","2020-10-21","18:00:00",""
"4346238","9.1196","0.0006","9.4568","0.0006","17.0109","0.0011","100.628","0.002","103.287","0.002","100.273","0.002","1365.42","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 F24 Ni4 O14 P4 -","- C36 H44 F24 Ni4 O14 P4 -","- C36 H44 F24 Ni4 O14 P4 -","1","0.5","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","1.54178","CuKα","","0.046","0.0442","","","0.1218","0.1241","","","","","","1.028","","","","has coordinates,has disorder","231678","2020-10-21","18:00:00",""
"4346239","16.2405","0.0011","14.3572","0.0011","20.6623","0.0015","90","","92.68","0.005","90","","4812.5","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H56 Cl2 F20 N2 O4 P2 Pt -","- C34 H56 Cl2 F20 N2 O4 P2 Pt -","- C136 H224 Cl8 F80 N8 O16 P8 Pt4 -","4","0.5","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0289","0.0214","","","0.0433","0.0463","","","","","","1.091","","","","has coordinates,has disorder","231680","2020-10-21","18:00:00",""
"4346240","8.1833","0.0007","11.7789","0.0005","13.1085","0.0011","103.058","0.005","93.868","0.006","104.197","0.005","1183.12","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 F40 Ni O10 P4 Pt2 -","- C26 H18 F40 Ni O10 P4 Pt2 -","- C26 H18 F40 Ni O10 P4 Pt2 -","1","0.5","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0271","0.0213","","","0.0462","0.0485","","","","","","1.043","","","","has coordinates","231681","2020-10-21","18:00:00",""
"4346241","10.5123","0.0001","13.8001","0.0002","32.2062","0.0005","90","","90.4424","0.0005","90","","4672.04","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 F12 N2 O2 P2 Pd -","- C14 H12 Cl2 F12 N2 O2 P2 Pd -","- C112 H96 Cl16 F96 N16 O16 P16 Pd8 -","8","2","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0438","0.0296","","","0.065","0.0694","","","","","","1.045","","","","has coordinates,has disorder","231682","2020-10-21","18:00:00",""
"4346242","8.7566","0.0002","17.8488","0.0005","15.6312","0.0004","90","","92.0264","0.0016","90","","2441.55","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F20 O2 P2 Rh -","- C16 H13 F20 O2 P2 Rh -","- C64 H52 F80 O8 P8 Rh4 -","4","1","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0571","0.0341","","","0.0743","0.0806","","","","","","1.035","","","","has coordinates","231683","2020-10-21","18:00:00",""
"4346243","16.249","0.003","20.213","0.003","20.859","0.003","87.323","0.004","73.148","0.003","73.918","0.003","6296","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H54 Al30 Cl2 O128 P2 S12 -","- C68 H54 Al30 Cl2 O128 P2 S12 -","- C68 H54 Al30 Cl2 O128 P2 S12 -","1","0.5","","Corum, Katie W.; Fairley, Melissa; Unruh, Daniel K.; Payne, Maurice K.; Forbes, Tori Z.; Mason, Sara E.","Characterization of Phosphate and Arsenate Adsorption onto Keggin-Type Al30 Cations by Experimental and Theoretical Methods.","Inorganic chemistry","2015","54","17","8367","8374","10.1021/acs.inorgchem.5b01039","","","0.71073","MoKα","","0.0886","0.0724","","","0.2123","0.2258","","","","","","1.106","","","","has coordinates,has disorder","231684","2020-10-21","18:00:00",""
"4346244","12.9","0.002","16.522","0.003","21.96","0.004","76.984","0.004","84.983","0.004","88.467","0.005","4542.6","1.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C85 H88 Au4 Cl2 F12 N2 P4 S2 Sb2 -","- C85 H87 Au4 Cl2 F12 N2 P4 S2 Sb2 -","- C170 H174 Au8 Cl4 F24 N4 P8 S4 Sb4 -","2","1","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.1141","0.0797","","","0.17","0.1879","","","","","","1.163","","","","has coordinates","231685","2020-10-21","18:00:00",""
"4346245","30.781","0.004","10.6267","0.0014","43.893","0.006","90","","99.789","0.005","90","","14148","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H39 Au Cl3 N P2 -","- C37 H39 Au Cl3 N P2 -","- C592 H624 Au16 Cl48 N16 P32 -","16","2","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.0373","0.0319","","","0.1098","0.1152","","","","","","0.923","","","","has coordinates","231686","2020-10-21","18:00:00",""
"4346246","10.9635","0.0012","30.235","0.003","11.3587","0.0013","90","","90.479","0.002","90","","3765.1","0.7","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 Au B2 Cl4 F6 N2 P2 Sb -","- C74 H102 Au B2 Cl4 F6 N2 P2 Sb -","- C148 H204 Au2 B4 Cl8 F12 N4 P4 Sb2 -","2","0.5","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.0245","0.0225","","","0.0466","0.0475","","","","","","1.189","","","","has coordinates","231687","2020-10-21","18:00:00",""
"4346247","14.313","0.004","19.807","0.006","25.416","0.008","90","","90","","90","","7205","4","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C72 H74 Au2 F12 N2 P4 Sb2 -","- C72 H74 Au2 F12 N2 P4 Sb2 -","- C288 H296 Au8 F48 N8 P16 Sb8 -","4","0.25","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.1552","0.0856","","","0.1717","0.2074","","","","","","1.211","","","","has coordinates","231688","2020-10-21","18:00:00",""
"4346248","10.208","0.003","10.213","0.003","19.148","0.005","78.516","0.006","79.126","0.006","79.207","0.006","1897.8","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 Au B Cl3 N P -","- C37 H51 Au B Cl3 N P -","- C74 H102 Au2 B2 Cl6 N2 P2 -","2","1","","Pal, Shiv; Kathewad, Neha; Pant, Rakesh; Khan, Shabana","Synthesis, Characterization, and Luminescence Studies of Gold(I) Complexes with PNP- and PNB-Based Ligand Systems.","Inorganic chemistry","2015","54","21","10172","10183","10.1021/acs.inorgchem.5b01046","","","0.71073","MoKα","","0.0361","0.0295","","","0.0577","0.0597","","","","","","1.048","","","","has coordinates","231689","2020-10-21","18:00:00",""
"4346249","8.2412","0.0009","9.5237","0.0011","17.8","0.002","90","","90","","90","","1397.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cu N12 -","- C10 H6 Cu N12 -","- C40 H24 Cu4 N48 -","4","0.5","","Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad","Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.","Inorganic chemistry","2015","54","14","7030","7037","10.1021/acs.inorgchem.5b01061","","","0.71073","MoKα","","0.061","0.0372","","","0.1305","0.1781","","","","","","0.992","","","","has coordinates","231690","2020-10-21","18:00:00",""
"4346250","11.0648","0.0004","9.6507","0.0004","10.4244","0.0004","90","","101.145","0.002","90","","1092.16","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Mn N9 O -","- C6 H7 Mn N9 O -","- C24 H28 Mn4 N36 O4 -","4","1","","Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad","Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.","Inorganic chemistry","2015","54","14","7030","7037","10.1021/acs.inorgchem.5b01061","","","0.71073","MoKα","","0.0271","0.0237","","","0.0696","0.0729","","","","","","0.998","","","","has coordinates","231691","2020-10-21","18:00:00",""
"4346251","12.6393","0.0004","12.7411","0.0004","17.416","0.0005","84.087","0.003","87.718","0.003","84.3","0.003","2774.69","0.15","120","2","120","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C44 H82 Cl Li N2 O6 P2 W -","- C44 H82 Cl Li N2 O6 P2 W -","- C88 H164 Cl2 Li2 N4 O12 P4 W2 -","2","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","","0.71073","MoKα","","0.049","0.043","","","0.0988","0.1041","","","","","","1.052","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346252","12.8151","0.0003","15.8751","0.0004","37.2411","0.0009","90","","90","","90","","7576.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 N2 P3 W -","- C35 H61 N2 P3 W -","- C280 H488 N16 P24 W8 -","8","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","","1.54178","CuKα","","0.101","0.0817","","","0.2251","0.2569","","","","","","1.07","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346253","10.2405","0.0003","12.1292","0.0004","19.1946","0.0006","94.778","0.003","102.456","0.002","101.513","0.003","2261.21","0.13","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H62 Cl N2 P3 W -","- C44 H62 Cl N2 P3 W -","- C88 H124 Cl2 N4 P6 W2 -","2","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","x-ray","0.71073","MoKα","","0.0392","0.0356","","","0.0871","0.0904","","","","","","1.055","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346254","20.4562","0.0005","20.5506","0.0006","36.1583","0.0015","90","","90","","90","","15200.5","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H109 Cl2 N4 P5 W2 -","- C70 H109 Cl2 N4 P5 W2 -","- C560 H872 Cl16 N32 P40 W16 -","8","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","x-ray","0.71073","MoKα","","0.1593","0.0796","","","0.1757","0.2409","","","","","","1.046","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346255","15.7319","0.0017","25.995","0.003","16.6477","0.0019","90","","118.061","0.0018","90","","6007.8","1.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H144 Bi12 K4 N8 Ni7 O28 -","- C76 H144 Bi12 K4 N8 Ni7 O28 -","- C152 H288 Bi24 K8 N16 Ni14 O56 -","2","0.5","","Perla, Luis G.; Sevov, Slavi C.","[Bi12Ni7(CO)4](4-): Aggregation of Intermetalloid Clusters by Their Thermal Deligation and Oxidation.","Inorganic chemistry","2015","54","17","8401","8405","10.1021/acs.inorgchem.5b01101","","","0.71073","MoKα","","0.1135","0.0632","","","0.1416","0.1703","","","","","","1.041","","","","has coordinates,has disorder","231693","2020-10-21","18:00:00",""
"4346256","9.172","0.0004","11.5283","0.0007","14.0257","0.0007","75.925","0.005","87.244","0.004","69.475","0.005","1346.07","0.13","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Mn4 N4 O14 S4 -","- C50 H40 Mn4 N4 O14 S4 -","- C50 H40 Mn4 N4 O14 S4 -","1","0.5","","Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala","Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.","Inorganic chemistry","2015","54","17","8406","8414","10.1021/acs.inorgchem.5b01118","","","0.71073","MoKα","","0.068","0.0512","","","0.1135","0.1229","","","","","","1.027","","","","has coordinates,has disorder","231694","2020-10-21","18:00:00",""
"4346257","11.5167","0.0005","16.8489","0.0008","16.4263","0.0006","90","","93.549","0.004","90","","3181.3","0.2","213","90","213","90","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Mn4 N4 O14 S4 -","- C62 H48 Mn4 N4 O14 S4 -","- C124 H96 Mn8 N8 O28 S8 -","2","0.5","","Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala","Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.","Inorganic chemistry","2015","54","17","8406","8414","10.1021/acs.inorgchem.5b01118","","","0.71073","MoKα","","0.0864","0.0459","","","0.0787","0.0926","","","","","","0.995","","","","has coordinates","231694","2020-10-21","18:00:00",""
"4346258","10.6699","0.0006","35.774","0.003","13.2056","0.0009","90","","90","","90","","5040.6","0.6","150","2","150","2","","","","","","","","6","P 1 1 21","P 2c","4","","","","- C104 H66 Mn4 N4 O12 S4 -","- C104 H66 Mn4 N4 O12 S4 -","- C208 H132 Mn8 N8 O24 S8 -","2","1","","Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala","Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.","Inorganic chemistry","2015","54","17","8406","8414","10.1021/acs.inorgchem.5b01118","","","0.71073","MoKα","","0.16","0.143","","","0.3701","0.3963","","","","","","1.365","","","","has coordinates,has disorder","231694","2020-10-21","18:00:00",""
"4346259","18.8413","0.0005","17.2727","0.0006","19.2668","0.0006","90","","104.174","0.003","90","","6079.3","0.3","120.05","0.1","120.05","0.1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C120 H80 Mn8 N8 O24 S8 -","- C120 H80 Mn8 N8 O24 S8 -","- C240 H160 Mn16 N16 O48 S16 -","2","0.5","","Ashok Kumar, Chowan; Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Manimaran, Bala","Self-assembly of Thiolato-Bridged Manganese(I)-Based Metallarectangles: One-pot Synthesis and Structural Characterization.","Inorganic chemistry","2015","54","17","8406","8414","10.1021/acs.inorgchem.5b01118","","","0.71073","MoKα","","0.1234","0.0628","","","0.131","0.1679","","","","","","1.021","","","","has coordinates,has disorder","231694","2020-10-21","18:00:00",""
"4346260","7.9333","0.0002","9.1844","0.0002","12.9114","0.0003","94.641","0.001","98.637","0.001","104.234","0.001","894.69","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cl2 N5 O Pd -","- C15 H15 Cl2 N5 O Pd -","- C30 H30 Cl4 N10 O2 Pd2 -","2","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.0307","0.029","","","0.0849","0.0858","","","","","","1.266","","","","has coordinates","231695","2020-10-21","18:00:00",""
"4346261","7.4335","0.0004","23.4463","0.0011","8.3659","0.0004","90","","117.983","0.001","90","","1287.61","0.11","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O Pd -","- C13 H11 Cl N4 O Pd -","- C52 H44 Cl4 N16 O4 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.0484","0.0342","","","0.0575","0.0609","","","","","","1.146","","","","has coordinates","231696","2020-10-21","18:00:00",""
"4346262","6.8017","0.0009","12.8053","0.0017","18.244","0.003","90","","98.674","0.004","90","","1570.8","0.4","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Cl N5 O Pd -","- C15 H14 Cl N5 O Pd -","- C60 H56 Cl4 N20 O4 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.2313","0.095","","","0.191","0.2464","","","","","","1.036","","","","has coordinates","231697","2020-10-21","18:00:00",""
"4346263","16.224","0.0006","4.2386","0.0002","23.1836","0.0009","90","","91.243","0.001","90","","1593.89","0.11","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl N5 O Pd -","- C15 H14 Cl N5 O Pd -","- C60 H56 Cl4 N20 O4 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.0922","0.0596","","","0.117","0.1286","","","","","","1.113","","","","has coordinates","231698","2020-10-21","18:00:00",""
"4346264","14.1119","0.0004","7.6407","0.0002","15.3195","0.0004","90","","109.534","0.001","90","","1556.75","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl2 N4 O2 Pd -","- C13 H14 Cl2 N4 O2 Pd -","- C52 H56 Cl8 N16 O8 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.0499","0.0368","","","0.0757","0.08","","","","","","1.082","","","","has coordinates","231699","2020-10-21","18:00:00",""
"4346265","7.677","0.003","11.755","0.004","18.485","0.008","90","","90.255","0.018","90","","1668.1","1.1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 N5 O Pd -","- C14 H13 Cl2 N5 O Pd -","- C56 H52 Cl8 N20 O4 Pd4 -","4","1","","Kitamura, Fumi; Sawaguchi, Kana; Mori, Asami; Takagi, Shoji; Suzuki, Takayoshi; Kobayashi, Atsushi; Kato, Masako; Nakajima, Kiyohiko","Coordination Structure Conversion of Hydrazone-Palladium(II) Complexes in the Solid State and in Solution.","Inorganic chemistry","2015","54","17","8436","8448","10.1021/acs.inorgchem.5b01128","","","0.71075","MoKα","","0.0349","0.0294","","","0.088","0.1057","","","","","","1.168","","","","has coordinates","231700","2020-10-21","18:00:00",""
"4346266","13.85","0.003","14.115","0.003","16.125","0.003","67.36","0.03","72.51","0.03","79.8","0.03","2768.1","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H120 Cu12 P8 S6 -","- C116 H120 Cu12 P8 S6 -","- C116 H120 Cu12 P8 S6 -","1","0.5","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","0.71073","MoKα","","0.0444","0.0337","","","0.0851","0.0907","","","","","","0.974","","","","has coordinates","231701","2020-10-21","18:00:00",""
"4346267","17.944","0.004","18.566","0.004","23.845","0.005","83.6","0.03","81.32","0.03","71.96","0.03","7449","3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H144 Cu12 P8 Se6 -","- C156 H144 Cu12 P8 Se6 -","- C312 H288 Cu24 P16 Se12 -","2","1","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","1.54186","CuKα","","0.0849","0.0624","","","0.1599","0.171","","","","","","1.021","","","","has coordinates,has disorder","231701","2020-10-21","18:00:00",""
"4346268","12.0912","0.0005","12.598","0.0005","15.0529","0.0006","65.941","0.003","67.992","0.003","87.291","0.004","1926.03","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H120 Cu12 P8 S6 -","- C48 H120 Cu12 P8 S6 -","- C48 H120 Cu12 P8 S6 -","1","0.5","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","0.71073","MoKα","","0.0423","0.0362","","","0.1188","0.1243","","","","","","0.985","","","","has coordinates,has disorder","231701","2020-10-21","18:00:00",""
"4346269","12.335","0.003","12.251","0.003","15.14","0.003","65.81","0.03","65.57","0.03","84.91","0.03","1891.1","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H120 Cu12 P8 S6 -","- C48 H120 Cu12 P8 S6 -","- C48 H120 Cu12 P8 S6 -","1","0.5","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","0.71073","MoKα","","0.0377","0.0309","","","0.0831","0.086","","","","","","1.004","","","","has coordinates,has disorder","231701","2020-10-21","18:00:00",""
"4346270","14.7868","0.0015","16.5674","0.0017","18.3835","0.0019","94.796","0.001","102.005","0.001","112.14","0.001","4014.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H200 Cu24 O2 P12 S12 -","- C128 H200 Cu24 O2 P12 S12 -","- C128 H200 Cu24 O2 P12 S12 -","1","0.5","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","0.8","synchrotron","","0.0446","0.0321","","","0.0748","0.0786","","","","","","0.986","","","","has coordinates,has disorder","231701","2020-10-21","18:00:00",""
"4346271","14.807","0.006","16.715","0.007","18.188","0.007","114.897","0.004","91.888","0.004","110.2","0.004","3747","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H180 Cu24 P12 S12 -","- C120 H180 Cu24 P12 S12 -","- C120 H180 Cu24 P12 S12 -","1","0.5","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","0.8","","","0.0795","0.0604","","","0.1685","0.1823","","","","","","1.185","","","","has coordinates,has disorder","231701","2020-10-21","18:00:00",""
"4346272","23.2385","0.0004","23.2385","0.0004","12.7837","0.0004","90","","90","","90","","6903.6","0.3","180","2","180","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C96 H216 Cu20 P8 S10 -","- C96 H216 Cu20 P8 S10 -","- C192 H432 Cu40 P16 S20 -","2","0.125","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","1.54178","CuKα","","0.0552","0.0438","","","0.1047","0.1112","","","","","","0.937","","","","has coordinates","231701","2020-10-21","18:00:00",""
"4346273","15.069","0.004","15.26","0.004","26.385","0.006","93.92","0.02","92.63","0.02","94.73","0.02","6024","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.5 H136.25 Er3 N14.75 Ni6 O36.5 -","- C109.5 H136.25 Er3 N14.75 Ni6 O36.5 -","- C219 H272.5 Er6 N29.5 Ni12 O73 -","2","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Enneanuclear [Ni6Ln3] Cages: [Ln(III)3] Triangles Capping [Ni(II)6] Trigonal Prisms Including a [Ni6Dy3] Single-Molecule Magnet.","Inorganic chemistry","2015","54","14","7089","7095","10.1021/acs.inorgchem.5b01149","","","0.71073","MoKα","","0.0848","0.0573","","","0.1286","0.1441","","","","","","1.076","","","","has coordinates,has disorder","231702","2020-10-21","18:00:00",""
"4346274","15.021","0.004","15.27","0.005","26.43","0.008","93.7","0.02","91.76","0.02","94.76","0.02","6025","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C104.8 H133.8 Dy3 N11 Ni6 O38.1 -","- C104.8 H131 Dy3 N11 Ni6 O38.1 -","- C209.6 H262 Dy6 N22 Ni12 O76.2 -","2","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Enneanuclear [Ni6Ln3] Cages: [Ln(III)3] Triangles Capping [Ni(II)6] Trigonal Prisms Including a [Ni6Dy3] Single-Molecule Magnet.","Inorganic chemistry","2015","54","14","7089","7095","10.1021/acs.inorgchem.5b01149","","","0.71073","MoKα","","0.1862","0.0872","","","0.1194","0.1477","","","","","","1.051","","","","has coordinates,has disorder","231703","2020-10-21","18:00:00",""
"4346275","15.024","0.006","15.231","0.006","26.365","0.008","94.15","0.04","93.28","0.05","94.54","0.05","5986","4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.5 H136.25 Gd3 N14.75 Ni6 O36.5 -","- C109.5 H136.25 Gd3.0431 N14.75 Ni6 O36.5 -","- C219 H272.5 Gd6.0862 N29.5 Ni12 O73 -","2","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Enneanuclear [Ni6Ln3] Cages: [Ln(III)3] Triangles Capping [Ni(II)6] Trigonal Prisms Including a [Ni6Dy3] Single-Molecule Magnet.","Inorganic chemistry","2015","54","14","7089","7095","10.1021/acs.inorgchem.5b01149","","","0.71073","MoKα","","0.2315","0.1735","","","0.3799","0.3938","","","","","","2.295","","","","has coordinates,has disorder","231704","2020-10-21","18:00:00",""
"4346276","16.4051","0.0006","9.7641","0.0003","12.2367","0.0004","90","","122.389","0.0017","90","","1655.16","0.1","110","","110","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H10 Cl2 Cu N O4 -","- C16 H10 Cl2 Cu N O4 -","- C64 H40 Cl8 Cu4 N4 O16 -","4","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.","Inorganic chemistry","2015","54","19","9423","9431","10.1021/acs.inorgchem.5b01168","","","1.54187","CuKα","","","0.1038","","","","0.3324","","","","","","1.137","","","","has coordinates","231705","2020-10-21","18:00:00",""
"4346277","18.4317","0.0004","18.4317","0.0004","19.5866","0.0004","90","","90","","90","","6654.1","0.2","112","","112","","","","","","","","","6","I -4","I -4","82","","","","- C16 H10 Br2 Cu N O4 -","- C16 H10 Br2 Cu N O4 -","- C256 H160 Br32 Cu16 N16 O64 -","16","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.","Inorganic chemistry","2015","54","19","9423","9431","10.1021/acs.inorgchem.5b01168","","","1.54187","CuKα","","","0.099","","","","0.2773","","","","","","1.045","","","","has coordinates","231705","2020-10-21","18:00:00",""
"4346278","18.7948","0.0004","18.7948","0.0004","19.6996","0.0004","90","","90","","90","","6958.8","0.3","100","","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H10 Cu I2 N O4 -","- C16 H10 Cu I2 N O4 -","- C256 H160 Cu16 I32 N16 O64 -","16","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.","Inorganic chemistry","2015","54","19","9423","9431","10.1021/acs.inorgchem.5b01168","","","1.54187","CuKα","","","0.0683","","","","0.1756","","","","","","1.188","","","","has coordinates","231705","2020-10-21","18:00:00",""
"4346279","10.1765","0.0003","10.6471","0.0003","16.9602","0.0005","76.4174","0.0013","75.1468","0.0014","77.0049","0.0015","1699.84","0.09","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu2 N2 O12 -","- C36 H32 Cu2 N2 O12 -","- C72 H64 Cu4 N4 O24 -","2","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Structural flexibilities and gas adsorption properties of one-dimensional copper(II) polymers with paddle-wheel units by modification of benzoate ligands.","Inorganic chemistry","2015","54","19","9423","9431","10.1021/acs.inorgchem.5b01168","","","1.54187","CuKα","","","0.0973","","","","0.3147","","","","","","1.123","","","","has coordinates","231705","2020-10-21","18:00:00",""
"4346280","5.8218","0.0004","7.0123","0.0005","34.528","0.002","90","","92.428","0.003","90","","1408.31","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pdamine","","","- C24 H54 Cl2 N2 Pd -","- C24 H54 Cl2 N2 Pd -","- C48 H108 Cl4 N4 Pd2 -","2","0.5","","Chaudhary, Ganga Ram; Singh, Prabjot; Kaur, Gurpreet; Mehta, S. K.; Kumar, Sandeep; Dilbaghi, Neeraj","Multifaceted approach for the fabrication of metallomicelles and metallic nanoparticles using solvophobic bisdodecylaminepalladium (II) chloride as precursor.","Inorganic chemistry","2015","54","18","9002","9012","10.1021/acs.inorgchem.5b01171","","","0.71073","MoKα","","0.0381","0.0264","","","0.0835","0.1038","","","","","","0.991","","","","has coordinates","231706","2020-10-21","18:00:00",""
"4346281","16.1708","0.0003","17.2594","0.0003","18.8906","0.0003","93.324","0.001","113.445","0.001","99.843","0.001","4719.34","0.15","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C131.2 H223.2 Cu4 Gd8 N9.4 O53.1 -","- C131.2 H210 Cu4 Gd8 N9.4 O53.1 -","- C131.2 H210 Cu4 Gd8 N9.4 O53.1 -","1","0.5","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Nonemployed Simple Carboxylate Ions in Well-Investigated Areas of Heterometallic Carboxylate Cluster Chemistry: A New Family of {Cu(II)4Ln(III)8} Complexes Bearing tert-Butylacetate Bridging Ligands.","Inorganic chemistry","2015","54","15","7555","7561","10.1021/acs.inorgchem.5b01179","","","1.54178","CuKα","","0.0887","0.0647","","","0.1565","0.1799","","","","","","1.061","","","","has coordinates","231707","2020-10-21","18:00:00",""
"4346282","17.8751","0.0005","28.8808","0.0007","9.969","0.0002","90","","100.14","0.001","90","","5066.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H28 N3 Pt -","- C90 H28 N3 Pt -","- C360 H112 N12 Pt4 -","4","1","","Sato, Satoru; Takei, Toshiaki; Matsushita, Yoshitaka; Yasuda, Takeshi; Kojima, Tatsuhiro; Kawano, Masaki; Ohnuma, Masato; Tashiro, Kentaro","Coassembly-Directed Fabrication of an Exfoliated Form of Alternating Multilayers Composed of a Self-assembled Organoplatinum(II) Complex-Fullerene Dyad.","Inorganic chemistry","2015","54","24","11581","11583","10.1021/acs.inorgchem.5b01183","","","0.6889","synchrotron","","0.1593","0.1288","","","0.3529","0.3674","","","","","","1.242","","","","has coordinates,has disorder","231708","2020-10-21","18:00:00",""
"4346283","12.1117","0.0003","11.3911","0.0003","26.8478","0.0007","90","","90.736","0.001","90","","3703.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Pt -","- C24 H16 N2 Pt -","- C192 H128 N16 Pt8 -","8","2","","Sato, Satoru; Takei, Toshiaki; Matsushita, Yoshitaka; Yasuda, Takeshi; Kojima, Tatsuhiro; Kawano, Masaki; Ohnuma, Masato; Tashiro, Kentaro","Coassembly-Directed Fabrication of an Exfoliated Form of Alternating Multilayers Composed of a Self-assembled Organoplatinum(II) Complex-Fullerene Dyad.","Inorganic chemistry","2015","54","24","11581","11583","10.1021/acs.inorgchem.5b01183","","","0.6889","synchrotron","","0.0607","0.047","","","0.1214","0.1304","","","","","","1.096","","","","has coordinates","231708","2020-10-21","18:00:00",""
"4346284","14.3212","0.0014","15.4969","0.0015","21.536","0.002","105.74","0.001","90.694","0.001","90.589","0.001","4599.6","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H30 K8 Na0 O176 P4 Rh2 Ti6 W30 -","- C20 H30 K8 O176 P4 Rh2 Ti6 W30 -","- C20 H30 K8 O176 P4 Rh2 Ti6 W30 -","1","0.5","","Matsuki, Yusuke; Hoshino, Takahiro; Takaku, Shoko; Matsunaga, Satoshi; Nomiya, Kenji","Synthesis and Molecular Structure of a Water-Soluble, Dimeric Tri-Titanium(IV)-Substituted Wells-Dawson Polyoxometalate Containing Two Bridging (C5Me5)Rh2+ Groups.","Inorganic chemistry","2015","54","23","11105","11113","10.1021/acs.inorgchem.5b01206","","","0.71073","MoKα","","0.0539","0.0433","","","0.1128","0.1185","","","","","","1.019","","","","has coordinates,has disorder","231709","2020-10-21","18:00:00",""
"4346285","9.20397","0.00017","9.64432","0.00017","13.1673","0.0003","105.122","0.0007","108.957","0.0007","92.6425","0.0008","1056.12","0.04","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Ag1.7 Cu0.3 I2 N2 P2 -","- C46 H38 Ag1.69 Cu0.31 I2 N2 P2 -","- C46 H38 Ag1.69 Cu0.31 I2 N2 P2 -","1","0.5","","Shibata, Seiko; Tsuge, Kiyoshi; Sasaki, Yoichi; Ishizaka, Shoji; Kitamura, Noboru","Directional Energy Transfer in Mixed-Metallic Copper(I)-Silver(I) Coordination Polymers with Strong Luminescence.","Inorganic chemistry","2015","54","20","9733","9739","10.1021/acs.inorgchem.5b01224","","","1.54187","CuKα","","","0.0525","","","","0.1431","","","","","","1.067","","","","has coordinates","231710","2020-10-21","18:00:00",""
"4346286","9.20726","0.00017","9.69912","0.00018","13.1475","0.0003","104.744","0.0007","109.34","0.0007","92.6061","0.0007","1060.48","0.04","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 I2 N2 P2 -","- C46 H38 Ag2 I2 N2 P2 -","- C46 H38 Ag2 I2 N2 P2 -","1","0.5","","Shibata, Seiko; Tsuge, Kiyoshi; Sasaki, Yoichi; Ishizaka, Shoji; Kitamura, Noboru","Directional Energy Transfer in Mixed-Metallic Copper(I)-Silver(I) Coordination Polymers with Strong Luminescence.","Inorganic chemistry","2015","54","20","9733","9739","10.1021/acs.inorgchem.5b01224","","","1.54187","CuKα","","","0.0351","","","","0.0867","","","","","","1.109","","","","has coordinates","231711","2020-10-21","18:00:00",""
"4346287","9.1739","0.0002","9.3642","0.0004","13.2335","0.0003","107.238","0.002","107.103","0.0015","92.989","0.002","1025.61","0.06","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cu2 I2 N2 P2 -","- C46 H38 Cu2 I2 N2 P2 -","- C46 H38 Cu2 I2 N2 P2 -","1","0.5","","Shibata, Seiko; Tsuge, Kiyoshi; Sasaki, Yoichi; Ishizaka, Shoji; Kitamura, Noboru","Directional Energy Transfer in Mixed-Metallic Copper(I)-Silver(I) Coordination Polymers with Strong Luminescence.","Inorganic chemistry","2015","54","20","9733","9739","10.1021/acs.inorgchem.5b01224","","","1.54187","CuKα","","","0.0501","","","","0.1314","","","","","","1.107","","","","has coordinates","231712","2020-10-21","18:00:00",""
"4346288","9.19811","0.00017","9.53801","0.00017","13.1998","0.0003","105.897","0.0009","108.234","0.0009","92.7678","0.0009","1046.38","0.04","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Ag Cu I2 N2 P2 -","- C46 H38 Ag0.994 Cu1.006 I2 N2 P2 -","- C46 H38 Ag0.994 Cu1.006 I2 N2 P2 -","1","0.5","","Shibata, Seiko; Tsuge, Kiyoshi; Sasaki, Yoichi; Ishizaka, Shoji; Kitamura, Noboru","Directional Energy Transfer in Mixed-Metallic Copper(I)-Silver(I) Coordination Polymers with Strong Luminescence.","Inorganic chemistry","2015","54","20","9733","9739","10.1021/acs.inorgchem.5b01224","","","1.54187","CuKα","","","0.0618","","","","0.1592","","","","","","1.078","","","","has coordinates","231713","2020-10-21","18:00:00",""
"4346289","8.6956","0.0008","14.1289","0.0009","10.9783","0.0008","90","","105.047","0.009","90","","1302.54","0.18","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C11 H7 N O6 Zn -","- C11 H7 N O6 Zn -","- C44 H28 N4 O24 Zn4 -","4","1","","Wang, Rongming; Liu, Xiaobin; Qi, Dongdong; Xu, Yuwen; Zhang, Liangliang; Liu, Xiaoqing; Jiang, Jianzhuang; Dai, Fangna; Xiao, Xin; Sun, Daofeng","A Zn Metal-Organic Framework with High Stability and Sorption Selectivity for CO2.","Inorganic chemistry","2015","54","22","10587","10592","10.1021/acs.inorgchem.5b01232","","","0.71","MoKα","","0.078","0.0692","","","0.2286","0.2411","","","","","","1.101","","","","has coordinates,has disorder","231714","2020-10-21","18:00:00",""
"4346290","31.348","0.003","10.5109","0.0011","42.587","0.005","90","","90","","90","","14032","3","296","2","296","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C70 H67 Au Bi Ir3 N2 O7 Sn2 -","- C70 H67 Au Bi Ir3 N2 O7 Sn2 -","- C560 H536 Au8 Bi8 Ir24 N16 O56 Sn16 -","8","2","","Adams, Richard D.; Elpitiya, Gaya","The Addition of Gold and Tin to Bismuth-Triiridium Carbonyl Complexes.","Inorganic chemistry","2015","54","16","8042","8048","10.1021/acs.inorgchem.5b01261","","","0.71073","MoKα","","0.1317","0.0538","","","0.0807","0.1091","","","","","","0.992","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346291","20.0583","0.0006","11.5659","0.0003","20.6645","0.0006","90","","101.88","0.001","90","","4691.3","0.2","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Au Bi Ir3 N2 O8 -","- C41 H41 Au Bi Ir3 N2 O8 -","- C164 H164 Au4 Bi4 Ir12 N8 O32 -","4","1","","Adams, Richard D.; Elpitiya, Gaya","The Addition of Gold and Tin to Bismuth-Triiridium Carbonyl Complexes.","Inorganic chemistry","2015","54","16","8042","8048","10.1021/acs.inorgchem.5b01261","","","0.71073","MoKα","","0.0442","0.0301","","","0.0698","0.0777","","","","","","1.058","","","","has coordinates","231715","2020-10-21","18:00:00",""
"4346292","26.3349","0.0007","13.0557","0.0003","21.6626","0.0006","90","","111.52","0.001","90","","6928.8","0.3","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H54 Au Bi Ir3 N2 O8 Sn2 -","- C61 H54 Au Bi Ir3 N2 O8 Sn2 -","- C244 H216 Au4 Bi4 Ir12 N8 O32 Sn8 -","4","1","","Adams, Richard D.; Elpitiya, Gaya","The Addition of Gold and Tin to Bismuth-Triiridium Carbonyl Complexes.","Inorganic chemistry","2015","54","16","8042","8048","10.1021/acs.inorgchem.5b01261","","","0.71073","MoKα","","0.0751","0.041","","","0.099","0.1171","","","","","","1.037","","","","has coordinates","231715","2020-10-21","18:00:00",""
"4346293","16.5387","0.0005","17.7318","0.0006","18.5063","0.0006","94.28","0.001","105.18","0.001","103.224","0.001","5046.4","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H98 B2 Fe4 N8 O15 -","- C120 H98 B2 Fe4 N8 O15 -","- C240 H196 B4 Fe8 N16 O30 -","2","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.","Inorganic chemistry","2015","54","17","8625","8638","10.1021/acs.inorgchem.5b01271","","","0.71073","MoKα","","0.054","0.0323","","","0.0766","0.0869","","","","","","1.022","","","","has coordinates","231716","2020-10-21","18:00:00",""
"4346294","9.2609","0.0003","25.8855","0.001","12.941","0.0005","90","","92.822","0.003","90","","3098.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Fe N3 O4 -","- C35 H40 Fe N3 O4 -","- C140 H160 Fe4 N12 O16 -","4","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.","Inorganic chemistry","2015","54","17","8625","8638","10.1021/acs.inorgchem.5b01271","","","0.71073","MoKα","","0.0739","0.0471","","","0.1162","0.1221","","","","","","1.043","","","","has coordinates,has disorder","231717","2020-10-21","18:00:00",""
"4346295","15.9573","0.0013","16.072","0.0009","16.0759","0.001","90","","109.343","0.008","90","","3890.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Fe2 N3 O10 -","- C42 H41 Fe2 N3 O10 -","- C168 H164 Fe8 N12 O40 -","4","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.","Inorganic chemistry","2015","54","17","8625","8638","10.1021/acs.inorgchem.5b01271","","","0.71073","MoKα","","0.0591","0.038","","","0.0939","0.0991","","","","","","0.954","","","","has coordinates,has disorder","231718","2020-10-21","18:00:00",""
"4346296","12.9916","0.0003","20.2079","0.0006","20.0079","0.0006","90","","124.567","0.002","90","","4325.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 Fe2 N5 O10 -","- C51 H43 Fe2 N5 O10 -","- C204 H172 Fe8 N20 O40 -","4","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.","Inorganic chemistry","2015","54","17","8625","8638","10.1021/acs.inorgchem.5b01271","","","0.71073","MoKα","","0.0642","0.0377","","","0.0838","0.0878","","","","","","0.944","","","","has coordinates,has disorder","231719","2020-10-21","18:00:00",""
"4346297","12.494","0.0006","17.8349","0.0009","10.0392","0.0006","90","","93.817","0.005","90","","2232.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe K N2 O5 -","- C26 H20 Fe K N2 O5 -","- C104 H80 Fe4 K4 N8 O20 -","4","1","","Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk","Experimental and Theoretical Investigations of Magnetic Exchange Pathways in Structurally Diverse Iron(III) Schiff-Base Complexes.","Inorganic chemistry","2015","54","17","8625","8638","10.1021/acs.inorgchem.5b01271","","","0.71073","MoKα","","0.0596","0.0392","","","0.1018","0.1196","","","","","","1.107","","","","has coordinates,has disorder","231720","2020-10-21","18:00:00",""
"4346298","10.8503","0.0018","13.51","0.003","16.975","0.008","90","","94.969","0.012","90","","2479","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-I-(RSRS)-(1-(2,4-dinitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) diperchlorate","","","- C16 H26 Cl2 Cu N6 O12 -","- C16 H26 Cl2 Cu N6 O12 -","- C64 H104 Cl8 Cu4 N24 O48 -","4","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.1083","0.0754","","","0.1605","0.1898","","","","","","1.119","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346299","8.034","0.002","9.4515","0.0017","18.277","0.003","79.894","0.012","83.49","0.016","79.058","0.017","1336.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-III-(RRSS)-(1-(2,4-dinitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) diperchlorate acetonitril solvate","","","- C18 H29 Cl2 Cu N7 O12 -","- C18 H29 Cl2 Cu N7 O12 -","- C36 H58 Cl4 Cu2 N14 O24 -","2","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.103","0.0761","","","0.1605","0.1846","","","","","","1.145","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346300","16.0122","0.0019","8.7416","0.0021","35.516","0.007","90","","90","","90","","4971.3","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-III-(RRSS)-(1-(2,4-dinitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) dichloride diethylether water solvate","","","- C18 H33 Cl2 Cu N6 O5.5 -","- C18 H33 Cl2 Cu N6 O5.5 -","- C144 H264 Cl16 Cu8 N48 O44 -","8","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.0859","0.0719","","","0.1474","0.1534","","","","","","1.265","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346301","15.2836","0.0006","17.5982","0.0007","17.4298","0.0007","90","","99.454","0.001","90","","4624.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(trans-III-(RRSS)-(1-(4-nitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) dichloride) acetonitrile water solvate","","","- C34 H62 Cl4 Cu2 N11 O6.5 -","- C34 H61 Cl4 Cu2 N11 O6.5 -","- C136 H244 Cl16 Cu8 N44 O26 -","4","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.0603","0.0469","","","0.1277","0.1386","","","","","","1.042","","","","has coordinates,has disorder","231722","2020-10-21","18:00:00",""
"4346302","9.094","0.003","11.082","0.002","12.948","0.002","93.02","0.03","109.01","0.02","106.69","0.03","1166.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-III-(RRSS)-(1-(4-nitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) dicyanate dihydrate","","","- C18 H31 Cu N7 O6 -","- C18 H29 Cu N7 O6 -","- C36 H58 Cu2 N14 O12 -","2","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.0684","0.056","","","0.1281","0.1422","","","","","","1.077","","","","has coordinates,has disorder","231722","2020-10-21","18:00:00",""
"4346303","14.623","0.003","12.515","0.003","14.864","0.003","90","","101.631","0.018","90","","2664.4","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-I-(RSRS)-(1-(2-nitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) diperchlorate acetonitrile solvate","","","- C18 H30 Cl2 Cu N6 O10 -","- C18 H30 Cl2 Cu N6 O10 -","- C72 H120 Cl8 Cu4 N24 O40 -","4","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.1062","0.0789","","","0.1924","0.2198","","","","","","1.089","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346304","7.726","0.003","18.477","0.01","16.006","0.008","90","","94.54","0.02","90","","2277.7","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-III-(RRSS)-(1-(2-nitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) diperchlorate","","","- C16 H27 Cl2 Cu N5 O10 -","- C16 H27 Cl2 Cu N5 O10 -","- C64 H108 Cl8 Cu4 N20 O40 -","4","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.0948","0.08","","","0.1939","0.2091","","","","","","1.165","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346305","12.046","0.0008","17.8754","0.0012","17.7441","0.0012","90","","102.635","0.001","90","","3728.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 N4 O2 -","- C40 H58 N4 O2 -","- C160 H232 N16 O8 -","4","1","","de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice","Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.","Inorganic chemistry","2015","54","18","9013","9026","10.1021/acs.inorgchem.5b01285","","","0.71073","MoKα","","0.0951","0.0498","","","0.1059","0.1265","","","","","","1.005","","","","has coordinates","231723","2020-10-21","18:00:00",""
"4346306","11.0946","0.0008","12.5522","0.0009","16.3727","0.0012","78.105","0.001","70.644","0.001","66.753","0.001","1969.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N4 O6 -","- C18 H26 N4 O6 -","- C72 H104 N16 O24 -","4","2","","de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice","Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.","Inorganic chemistry","2015","54","18","9013","9026","10.1021/acs.inorgchem.5b01285","","","0.71073","MoKα","","0.0482","0.0387","","","0.0947","0.1008","","","","","","1.031","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4346307","24.25","0.005","15.236","0.003","10.361","0.002","90","","101.68","0.03","90","","3748.8","1.4","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 Cu N4 O2 -","- C40 H56 Cu N4 O2 -","- C160 H224 Cu4 N16 O8 -","4","0.5","","de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice","Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.","Inorganic chemistry","2015","54","18","9013","9026","10.1021/acs.inorgchem.5b01285","","x-ray","0.71073","MoKα","","0.0648","0.0396","","","0.0834","0.0901","","","","","","1.113","","","","has coordinates","231723","2020-10-21","18:00:00",""
"4346308","14.0795","0.0011","25.948","0.002","14.5253","0.0011","90","","101.16","0.001","90","","5206.3","0.7","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H54 Cu N4 O6 P2 -","- C62 H54 Cu N4 O6 P2 -","- C248 H216 Cu4 N16 O24 P8 -","4","1","","de Bellefeuille, David; Orio, Maylis; Barra, Anne-Laure; Aukauloo, Ally; Journaux, Yves; Philouze, Christian; Ottenwaelder, Xavier; Thomas, Fabrice","Redox noninnocence of the bridge in copper(II) salophen and bis(oxamato) complexes.","Inorganic chemistry","2015","54","18","9013","9026","10.1021/acs.inorgchem.5b01285","","","0.71073","MoKα","","0.0634","0.0387","","","0.0863","0.0966","","","","","","1.018","","","","has coordinates","231723","2020-10-21","18:00:00",""
"4346309","32.1139","0.0013","14.4081","0.0007","25.2549","0.001","90","","109.612","0.002","90","","11007.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H51 B3 N12 -","- C60 H51 B3 N12 -","- C480 H408 B24 N96 -","8","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","1.54178","CuKα","","0.1743","0.0989","","","0.2385","0.2649","","","","","","1.036","","","","has coordinates","231724","2020-10-21","18:00:00",""
"4346310","11.0453","0.001","19.3899","0.0017","22.94","0.002","90","","90","","90","","4913","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H51 B3 N12 -","- C60 H51 B3 N12 -","- C240 H204 B12 N48 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","1.54178","CuKα","","0.1183","0.0734","","","0.1086","0.1251","","","","","","1.12","","","","has coordinates","231724","2020-10-21","18:00:00",""
"4346311","10.5968","0.0004","17.7087","0.0007","30.8111","0.001","90","","99.332","0.002","90","","5705.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H51 B3 N12 -","- C60 H51 B3 N12 -","- C240 H204 B12 N48 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","1.54178","CuKα","","0.0885","0.0512","","","0.1066","0.1205","","","","","","1.007","","","","has coordinates","231724","2020-10-21","18:00:00",""
"4346312","13.1785","0.0006","21.1594","0.0009","26.1619","0.001","90","","94.1169","0.0013","90","","7276.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H87 B3 N12 Na O6 -","- C75 H87 B3 N12 Na O6 -","- C300 H348 B12 N48 Na4 O24 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","0.71073","MoKα","","0.1246","0.0612","","","0.1158","0.1398","","","","","","1.023","","","","has coordinates,has disorder","231724","2020-10-21","18:00:00",""
"4346313","11.1938","0.0004","20.4602","0.0007","31.0805","0.0011","90","","100.366","0.002","90","","7002.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H83 B3 N12 Na O4 -","- C76 H83 B3 N12 Na O4 -","- C304 H332 B12 N48 Na4 O16 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","1.54178","CuKα","","0.0936","0.0757","","","0.1851","0.1942","","","","","","1.131","","","","has coordinates,has disorder","231724","2020-10-21","18:00:00",""
"4346314","11.8029","0.0005","22.3034","0.0008","25.794","0.001","97.5364","0.0017","100.896","0.0018","94.8132","0.0017","6568.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H71 B3 N12 Na O5 -","- C70 H71 B3 N12 Na O5 -","- C280 H284 B12 N48 Na4 O20 -","4","2","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","0.71073","MoKα","","0.1796","0.0858","","","0.1965","0.246","","","","","","1.012","","","","has coordinates,has disorder","231724","2020-10-21","18:00:00",""
"4346315","13.0879","0.0015","13.0879","0.0015","13.0879","0.0015","90","","90","","90","","2241.9","0.4","360","2","360","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","bis-tetramethylammonium hexachloroplutonate(IV)","","","- C8 H24 Cl6 N2 Pu -","- C8 H23.76 Cl6 N2 Pu -","- C32 H95.04 Cl24 N8 Pu4 -","4","0.0208333","","Wilson, Richard E.","Structure, Phase Transitions, and Isotope Effects in [(CH3)4N]2PuCl6.","Inorganic chemistry","2015","54","21","10208","10213","10.1021/acs.inorgchem.5b01288","","","0.71073","MoKα","","0.0313","0.0305","","","0.0755","0.0761","","","","","","1.336","","","","has coordinates","231725","2020-10-21","18:00:00",""
"4346316","26.012","0.003","26.012","0.003","26.012","0.003","90","","90","","90","","17600","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","bis-tetramethylammonium hexachloroplutonate(IV)","","","- C8 H24 Cl6 N2 Pu -","- C7.98 H18 Cl6 N2 Pu -","- C255.36 H576 Cl192 N64 Pu32 -","32","0.166667","","Wilson, Richard E.","Structure, Phase Transitions, and Isotope Effects in [(CH3)4N]2PuCl6.","Inorganic chemistry","2015","54","21","10208","10213","10.1021/acs.inorgchem.5b01288","","","0.71073","MoKα","","0.0821","0.0411","","","0.0673","0.0912","","","","","","1.084","","","","has coordinates","231725","2020-10-21","18:00:00",""
"4346317","25.713","0.002","25.713","0.002","25.713","0.002","90","","90","","90","","17000","2","125","2","125","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","bis-tetramethylammonium hexachloroplutonate(IV)","","","- C8 H24 Cl6 N2 Pu -","- C7.98 H18 Cl6 N2 Pu -","- C255.36 H576 Cl192 N64 Pu32 -","32","0.166667","","Wilson, Richard E.","Structure, Phase Transitions, and Isotope Effects in [(CH3)4N]2PuCl6.","Inorganic chemistry","2015","54","21","10208","10213","10.1021/acs.inorgchem.5b01288","","","0.71073","MoKα","","0.0618","0.0475","","","0.1172","0.1339","","","","","","1.149","","","","has coordinates","231725","2020-10-21","18:00:00",""
"4346318","14.6057","0.0007","12.7363","0.0005","17.9897","0.0009","90","","124.907","0.003","90","","2744.4","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H37 Cl Cu F6 N2 O2 Sb -","- C20.5 H37 Cl Cu F6 N2 O2 Sb -","- C82 H148 Cl4 Cu4 F24 N8 O8 Sb4 -","4","1","","Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip; Ottenwaelder, Xavier","A Biomimetic Mechanism for the Copper-Catalyzed Aerobic Oxygenation of 4-tert-Butylphenol.","Inorganic chemistry","2015","54","17","8665","8672","10.1021/acs.inorgchem.5b01297","","","1.54178","CuKα","","0.0653","0.0462","","","0.1136","0.1252","","","","","","1.019","","","","has coordinates","231726","2020-10-21","18:00:00",""
"4346319","20.0376","0.0006","18.72","0.0006","21.5543","0.0007","90","","90","","90","","8085.1","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 B2 O5 Ru5 -","- C35 H50 B2 O5 Ru5 -","- C280 H400 B16 O40 Ru40 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.0611","0.0389","","","0.0934","0.1089","","","","","","1.108","","","","has coordinates,has disorder","231727","2020-10-21","18:00:00",""
"4346320","18.4692","0.0004","15.5254","0.0004","43.1308","0.001","90","","96.599","0.002","90","","12285.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H72 B4 Cl4 O7 Ru7 -","- C49 H72 B4 Cl4 O7 Ru7 -","- C392 H576 B32 Cl32 O56 Ru56 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.0524","0.0325","","","0.0665","0.0792","","","","","","0.978","","","","has coordinates,has disorder","231727","2020-10-21","18:00:00",""
"4346321","11.286","","15.727","","18.232","","90","","90","","90","","3236.09","","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H51 B3 O Ru3 -","- C31 H51 B3 O Ru3 -","- C124 H204 B12 O4 Ru12 -","4","0.5","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.1379","0.0792","","","0.1812","0.2347","","","","","","1.086","","","","has coordinates","231727","2020-10-21","18:00:00",""
"4346322","10.6448","0.0003","10.9034","0.0003","15.3753","0.0004","98.366","0.001","92.896","0.001","116.039","0.001","1573.14","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 B3 O7 Ru4 -","- C27 H33 B3 O7 Ru4 -","- C54 H66 B6 O14 Ru8 -","2","1","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.0289","0.0243","","","0.0572","0.0593","","","","","","1.092","","","","has coordinates","231727","2020-10-21","18:00:00",""
"4346323","43.5493","0.0011","43.5493","0.0011","16.3262","0.0007","90","","90","","90","","30963.3","1.7","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C120 H152 Cl8 N6 O38 P8 Zn8 -","- C120 H152 Cl8 N6 O38 P8 Zn8 -","- C960 H1216 Cl64 N48 O304 P64 Zn64 -","8","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0787","0.0665","","","0.169","0.18","","","","","","1.036","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346324","43.962","0.002","43.962","0.002","16.4549","0.001","90","","90","","90","","31802","3","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C120 H158 Br8 N6 O38 P8 Zn8 -","- C120 H158 Br8 N6 O38 P8 Zn8 -","- C960 H1264 Br64 N48 O304 P64 Zn64 -","8","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.1192","0.1143","","","0.2276","0.2305","","","","","","1.219","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346325","21.993","0.004","24.211","0.005","29.741","0.007","90","","90","","90","","15836","6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C130 H162 Cl8 N8 O46 P8 Zn8 -","- C130 H162 Cl8 N8 O46 P8 Zn8 -","- C520 H648 Cl32 N32 O184 P32 Zn32 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.1653","0.1603","","","0.2715","0.2735","","","","","","1.533","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346326","21.872","0.009","23.851","0.009","30.092","0.012","90","","90","","90","","15698","11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C126 H162 Br8 N6 O48 P8 Zn8 -","- C126 H162 Br8 N6 O48 P8 Zn8 -","- C504 H648 Br32 N24 O192 P32 Zn32 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71073","MoKα","","0.1345","0.1264","","","0.2131","0.2166","","","","","","1.374","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346327","31.733","0.004","14.8847","0.0015","35.418","0.003","90","","112.669","0.008","90","","15437","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C56 H88 Cl4 O20 P4 S4 Zn4 -","- C56 H88 Cl4 O20 P4 S4 Zn4 -","- C448 H704 Cl32 O160 P32 S32 Zn32 -","8","1","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0471","0.0451","","","0.1055","0.1067","","","","","","1.079","","","","has coordinates,has disorder","231728","2020-10-21","18:00:00",""
"4346328","31.221","0.004","15.0144","0.0018","20.073","0.002","90","","95.027","0.003","90","","9373.3","1.9","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C64 H112 Br4 O24 P4 S8 Zn4 -","- C64 H112 Br4 O24 P4 S8 Zn4 -","- C256 H448 Br16 O96 P16 S32 Zn16 -","4","1","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0781","0.072","","","0.1298","0.1326","","","","","","1.152","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346329","17.828","0.004","22.866","0.004","21.186","0.004","90","","96.233","0.014","90","","8586","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H84 Cl4 N4 O20 P4 Zn4 -","- C68 H84 Cl4 N4 O20 P4 Zn4 -","- C272 H336 Cl16 N16 O80 P16 Zn16 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0464","0.0439","","","0.0921","0.0931","","","","","","1.205","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346330","17.827","0.005","23.067","0.006","21.21","0.005","90","","95.394","0.019","90","","8683","4","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H84 Br4 N4 O20 P4 Zn4 -","- C68 H84 Br4 N4 O20 P4 Zn4 -","- C272 H336 Br16 N16 O80 P16 Zn16 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0583","0.0538","","","0.0952","0.0968","","","","","","1.177","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346331","17.2","0.007","10.737","0.004","10.684","0.004","90","","96.136","0.015","90","","1961.8","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Eu N3 O9 -","- C14 H18 Eu N3 O9 -","- C56 H72 Eu4 N12 O36 -","4","0.5","","Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario","The Importance of Polymorphism in Metal-Organic Framework Studies.","Inorganic chemistry","2015","54","17","8679","8684","10.1021/acs.inorgchem.5b01311","","","0.71073","MoKα","","0.0514","0.034","","","0.073","0.0792","","","","","","1.021","","","","has coordinates,has disorder","231729","2020-10-21","18:00:00",""
"4346332","17.6726","0.0015","20.0232","0.0017","10.5553","0.0009","90","","91.129","0.004","90","","3734.4","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Eu N3 O9 -","- C14 H18 Eu N3 O9 -","- C112 H144 Eu8 N24 O72 -","8","2","","Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario","The Importance of Polymorphism in Metal-Organic Framework Studies.","Inorganic chemistry","2015","54","17","8679","8684","10.1021/acs.inorgchem.5b01311","","","0.71073","MoKα","","0.1299","0.0503","","","0.083","0.1036","","","","","","0.983","","","","has coordinates,has disorder","231730","2020-10-21","18:00:00",""
"4346333","16.4405","0.0018","16.4405","0.0018","16.4405","0.0018","90","","90","","90","","4443.7","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H27 B2 F8 Fe N25 -","- C30 H27 B2 F8 Fe N25 -","- C120 H108 B8 F32 Fe4 N100 -","4","0.333333","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1001","0.0954","","","0.2193","0.2219","","","","","","1.175","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346334","23.635","0.008","16.117","0.005","28.985","0.009","90","","90","","90","","11041","6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H33 B2 F8 Fe N28 O12 -","- C37 H33 B2 F8 Fe N28 O12 -","- C296 H264 B16 F64 Fe8 N224 O96 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1054","0.0912","","","0.2327","0.2443","","","","","","1.095","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346335","18.472","0.004","12.648","0.002","19.932","0.004","90","","105.338","0.003","90","","4490.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Fe N28 O6 -","- C29 H27 Fe N28 O6 -","- C116 H108 Fe4 N112 O24 -","4","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1431","0.097","","","0.2287","0.27","","","","","","1.081","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346336","11.0998","0.0007","22.8847","0.0016","23.1696","0.0016","90","","101.769","0.002","90","","5761.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Fe N31.5 O18 -","- C36 H33 Fe N31.5 O18.001 -","- C144 H132 Fe4 N126 O72.004 -","4","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0917","0.0883","","","0.2578","0.2644","","","","","","1.086","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346337","13.422","0.002","14.769","0.002","13.618","0.002","90","","101.544","0.002","90","","2644.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cu N16 O6 -","- C19 H21 Cu N16 O6 -","- C76 H84 Cu4 N64 O24 -","4","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0506","0.0467","","","0.149","0.1524","","","","","","1.044","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346338","10.137","0.016","13.38","0.02","13.9","0.02","73.98","0.03","73.17","0.02","86.89","0.03","1734","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cu N21 O14 -","- C22 H22 Cu N21 O14 -","- C44 H44 Cu2 N42 O28 -","2","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0566","0.0495","","","0.1417","0.1473","","","","","","1.041","","","","has coordinates","231731","2020-10-21","18:00:00",""
"4346339","26.06","0.005","13.326","0.002","18.396","0.004","90","","127.049","0.004","90","","5098.8","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Cu F6 N14 O0.5 P -","- C16 H23 Cu F6 N14 O0.5 P -","- C128 H184 Cu8 F48 N112 O4 P8 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0934","0.0873","","","0.2384","0.2544","","","","","","1.051","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346340","24.52","0.01","13.22","0.005","21.745","0.009","90","","96.349","0.004","90","","7006","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21.5 H25 Cu F4.8 N18 O8.5 P0.8 -","- C21.5 H25 Cu F4.8 N18 O8.5 P0.8 -","- C172 H200 Cu8 F38.4 N144 O68 P6.4 -","8","2","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0941","0.0752","","","0.2147","0.2325","","","","","","1.093","","","","has coordinates","231731","2020-10-21","18:00:00",""
"4346341","32.811","0.0016","8.3759","0.0006","19.2922","0.0011","90","","93.647","0.002","90","","5291.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Co N17 O7 -","- C16 H23 Co N17 O7 -","- C128 H184 Co8 N136 O56 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0372","0.0335","","","0.0891","0.095","","","","","","1.072","","","","has coordinates","231731","2020-10-21","18:00:00",""
"4346342","17.9725","0.0017","32.179","0.005","15.7563","0.0019","90","","90","","90","","9112","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C52 H68 Co2 N46 O35 -","- C52 H68 Co2 N46 O35 -","- C208 H272 Co8 N184 O140 -","4","0.5","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0598","0.057","","","0.1569","0.1631","","","","","","1.035","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346343","22.004","0.005","12.044","0.003","32.076","0.008","90","","101.593","0.003","90","","8327","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 N26.5 Ni O6 -","- C28 H27 N26.5 Ni O6 -","- C224 H216 N212 Ni8 O48 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.0693","0.0544","","","0.1398","0.1507","","","","","","0.947","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346344","22.648","0.003","19.359","0.002","21.505","0.003","90","","90","","90","","9429","2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H22 N20 Ni O20 -","- C30 H22 N20 Ni O20 -","- C240 H176 N160 Ni8 O160 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1386","0.0886","","","0.2322","0.2772","","","","","","1.025","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346345","9.9793","0.0017","13.587","0.002","18.825","0.003","100.918","0.01","93.269","0.014","93.815","0.013","2494.4","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H55 N8 Ru2 -","- C57 H55 N8 Ru2 -","- C114 H110 N16 Ru4 -","2","1","","Forrest, William P.; Choudhuri, Mohommad M. R.; Kilyanek, Stefan M.; Natoli, Sean N.; Prentice, Boone M.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong","Synthesis and Electronic Structure of Ru2(Xap)4(Y-gem-DEE) Type Compounds: Effect of Cross-Conjugation.","Inorganic chemistry","2015","54","15","7645","7652","10.1021/acs.inorgchem.5b01315","","","1.54178","CuKα","","0.1177","0.0823","","","0.2263","0.2579","","","","","","1.055","","","","has coordinates","231732","2020-10-21","18:00:00",""
"4346346","12.1909","0.0005","16.8969","0.0008","15.4868","0.0006","90","","92.091","0.001","90","","3188","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Dy0.24 N24 O18 Y3.76 -","- C52 H40 Dy0.24 N24 O18 Y3.76 -","- C104 H80 Dy0.48 N48 O36 Y7.52 -","2","0.5","","Guo, Peng-Hu; Liu, Jiang; Wu, Zi-Hao; Yan, Hua; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Single-Molecule-Magnet Behavior in a [2 ×2] Grid Dy(III)4 Cluster and a Dysprosium-Doped Y(III)4 Cluster.","Inorganic chemistry","2015","54","16","8087","8092","10.1021/acs.inorgchem.5b01322","","","0.71073","MoKα","","0.0699","0.0394","","","0.0804","0.0949","","","","","","1.012","","","","has coordinates","231733","2020-10-21","18:00:00",""
"4346347","11.9694","0.0004","17.0199","0.0004","15.503","0.0005","90","","92.784","0.001","90","","3154.51","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Dy4 N24 O18 -","- C52 H40 Dy4 N24 O18 -","- C104 H80 Dy8 N48 O36 -","2","0.5","","Guo, Peng-Hu; Liu, Jiang; Wu, Zi-Hao; Yan, Hua; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang","Single-Molecule-Magnet Behavior in a [2 ×2] Grid Dy(III)4 Cluster and a Dysprosium-Doped Y(III)4 Cluster.","Inorganic chemistry","2015","54","16","8087","8092","10.1021/acs.inorgchem.5b01322","","","0.71073","MoKα","","0.0617","0.0428","","","0.0966","0.1133","","","","","","1.108","","","","has coordinates","231734","2020-10-21","18:00:00",""
"4346348","14.6595","0.0016","14.6595","0.0016","31.363","0.005","90","","90","","120","","5837","1.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Co2 I11 K0.89 N12 -","- C60 H48 Ag6 Co2 I11 K0.89 N12 -","- C180 H144 Ag18 Co6 I33 K2.67 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0314","0.0272","","","0.0653","0.0671","","","","","","1.055","","","","has coordinates","231735","2020-10-21","18:00:00",""
"4346349","14.6293","0.0018","14.6293","0.0018","31.621","0.004","90","","90","","120","","5860.8","1.3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K N12 Zn2 -","- C60 H48 Ag6 I11 K N12 Zn2 -","- C180 H144 Ag18 I33 K3 N36 Zn6 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0324","0.0295","","","0.0704","0.0718","","","","","","1.075","","","","has coordinates","231736","2020-10-21","18:00:00",""
"4346350","22.6467","0.001","13.5115","0.0006","16.215","0.0007","90","","107.93","","90","","4720.7","0.4","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H33 Ag3 I6 N8 Ni -","- C40 H33 Ag3 I6 N8 Ni -","- C160 H132 Ag12 I24 N32 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0247","0.0224","","","0.0472","0.0479","","","","","","1.01","","","","has coordinates","231737","2020-10-21","18:00:00",""
"4346351","14.7159","0.0008","14.7159","0.0008","31.5185","0.0017","90","","90","","120","","5911.1","0.6","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K Mn2 N12 -","- C60 H48 Ag6 I11 K Mn2 N12 -","- C180 H144 Ag18 I33 K3 Mn6 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0403","0.0275","","","0.0556","0.0606","","","","","","1.016","","","","has coordinates","231738","2020-10-21","18:00:00",""
"4346352","14.6145","0.001","14.6145","0.001","31.442","0.002","90","","90","","120","","5815.8","0.7","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 I11 K0.93 N12 Ni2 -","- C60 H48 Ag6 I11 K0.932 N12 Ni2 -","- C180 H144 Ag18 I33 K2.796 N36 Ni6 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0287","0.0255","","","0.049","0.0503","","","","","","1.04","","","","has coordinates","231739","2020-10-21","18:00:00",""
"4346353","14.5723","0.0013","14.5723","0.0013","31.178","0.003","90","","90","","120","","5733.7","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Fe2 I11 K0.93 N12 -","- C60 H48 Ag6 Fe2 I11 K0.932 N12 -","- C180 H144 Ag18 Fe6 I33 K2.796 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong; Hong, Mao-Chun","Two Types of 2D Layered Iodoargentates Based on Trimeric [Ag3I7] Secondary Building Units and Hexameric [Ag6I12] Ternary Building Units: Syntheses, Crystal Structures, and Efficient Visible Light Responding Photocatalytic Properties.","Inorganic chemistry","2015","54","22","10593","10603","10.1021/acs.inorgchem.5b01324","","","0.71073","MoKα","","0.0308","0.0266","","","0.0485","0.05","","","","","","1.033","","","","has coordinates","231740","2020-10-21","18:00:00",""
"4346354","37.4162","0.0013","39.2677","0.0011","16.5126","0.0006","90","","90","","90","","24261.1","1.4","100","2","100","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C2 H6 B12 O33 V5 -","- C2 H6 B12 O33 V5 -","- C32 H96 B192 O528 V80 -","16","1","","Chen, Hong; Zhao, Huishuang; Yu, Zheng-Bao; Wang, Lei; Sun, Licheng; Sun, Junliang","Construct Polyoxometalate Frameworks through Covalent Bonds.","Inorganic chemistry","2015","54","17","8699","8704","10.1021/acs.inorgchem.5b01326","","","0.71073","MoKα","","0.1129","0.0888","","","0.2596","0.2741","","","","","","1.066","","","","has coordinates,has disorder","231741","2020-10-21","18:00:00",""
"4346355","17.0389","0.0002","17.0389","0.0002","58.1335","0.0009","90","","90","","120","","14616.4","0.3","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H40 B20 N3 O64 V10 -","- C16 H40 B20 N4 O64 V10 -","- C96 H240 B120 N24 O384 V60 -","6","0.5","","Chen, Hong; Zhao, Huishuang; Yu, Zheng-Bao; Wang, Lei; Sun, Licheng; Sun, Junliang","Construct Polyoxometalate Frameworks through Covalent Bonds.","Inorganic chemistry","2015","54","17","8699","8704","10.1021/acs.inorgchem.5b01326","","","0.71073","MoKα","","0.0564","0.0533","","","0.16","0.1631","","","","","","1.072","","","","has coordinates","231742","2020-10-21","18:00:00",""
"4346356","9.6934","0.0007","13.4504","0.001","18.2111","0.0014","80.846","0.001","77.999","0.001","78.6","0.001","2259.3","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 B3 Cr F12 N8 O6 -","- C38 H39 B3 Cr F12 N7 O6 -","- C76 H78 B6 Cr2 F24 N14 O12 -","2","1","","Cabrera, Pablo J.; Yang, Xingyi; Suttil, James A.; Brooner, Rachel E. M.; Thompson, Levi T.; Sanford, Melanie S.","Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry.","Inorganic chemistry","2015","54","21","10214","10223","10.1021/acs.inorgchem.5b01328","","","0.71073","MoKα","","0.0918","0.0836","","","0.2321","0.2378","","","","","","1.08","","","","has coordinates,has disorder","231743","2020-10-21","18:00:00",""
"4346357","14.2237","0.0005","14.714","0.0004","17.1597","0.0004","90","","90","","90","","3591.31","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cu6 I8 N2 -","- C24 H24 Cu6 I8 N2 -","- C96 H96 Cu24 I32 N8 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0354","0.031","","","0.0608","0.0628","","","","","","1.047","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346358","14.4193","0.0007","14.783","0.0007","17.2685","0.0009","90","","90","","90","","3681","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cu6 I8 N2 -","- C24 H24 Cu6 I8 N2 -","- C96 H96 Cu24 I32 N8 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0477","0.0415","","","0.0769","0.0816","","","","","","1.001","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346359","22.5616","0.0013","15.4537","0.0008","21.8953","0.0013","90","","111.133","0.007","90","","7120.6","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H47 Ag9 I13 N4 -","- C48 H48 Ag9 I13 N4 -","- C192 H192 Ag36 I52 N16 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0519","0.0425","","","0.0993","0.1076","","","","","","1.039","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346360","12.5023","0.0003","12.3547","0.0003","24.0321","0.0006","90","","90.761","0.001","90","","3711.72","0.16","95","2","95","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H108 O P6 Se12 U2 -","- C48 H108 O P6 Se12 U2 -","- C96 H216 O2 P12 Se24 U4 -","2","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","1.54178","CuKα","","0.0211","0.0211","","","0.0592","0.0592","","","","","","1.293","","","","has coordinates","231745","2020-10-21","18:00:00",""
"4346361","13.3824","0.0016","11.8093","0.0014","15.7832","0.0019","90","","98.684","0.001","90","","2465.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Hg P2 Se4 -","- C16 H36 Hg P2 Se4 -","- C64 H144 Hg4 P8 Se16 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0359","0.0276","","","0.0652","0.0688","","","","","","1.018","","","","has coordinates","231745","2020-10-21","18:00:00",""
"4346362","13.4867","0.0013","11.5836","0.0011","15.8203","0.0015","90","","98.091","0.001","90","","2446.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 P2 Se4 Zn -","- C16 H36 P2 Se4 Zn -","- C64 H144 P8 Se16 Zn4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0252","0.0212","","","0.0481","0.0491","","","","","","1.067","","","","has coordinates","231745","2020-10-21","18:00:00",""
"4346363","16.7555","0.0016","13.2494","0.0013","20.758","0.002","90","","108.461","0.001","90","","4371.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 O P4 S8 Th -","- C28 H64 O P4 S8 Th -","- C112 H256 O4 P16 S32 Th4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0203","0.0171","","","0.0402","0.0413","","","","","","1.031","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346364","18.09","0.015","18.09","0.015","15.871","0.013","90","","90","","90","","5194","7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 S8 Th -","- C32 H72 P4 S8 Th -","- C128 H288 P16 S32 Th4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0158","0.0139","","","0.0315","0.0321","","","","","","0.962","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346365","16.854","0.003","13.348","0.003","18.538","0.004","90","","96.522","0.002","90","","4143.5","1.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H56 P4 Se8 Th -","- C24 H56 P4 Se8 Th -","- C96 H224 P16 Se32 Th4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0234","0.0209","","","0.0434","0.0441","","","","","","1.034","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346366","18.3858","0.0014","18.3858","0.0014","16.2449","0.0012","90","","90","","90","","5491.4","0.7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 Se8 Th -","- C32 H72 P4 Se8 Th -","- C128 H288 P16 Se32 Th4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0152","0.0131","","","0.0297","0.03","","","","","","0.996","","","","has coordinates","231746","2020-10-21","18:00:00",""
"4346367","18.3367","0.0014","18.3367","0.0014","16.2992","0.0012","90","","90","","90","","5480.4","0.7","100","2","100","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C32 H72 P4 Se8 U -","- C32 H72 P4 Se8 U -","- C128 H288 P16 Se32 U4 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0166","0.0145","","","0.0315","0.032","","","","","","1.004","","","","has coordinates","231747","2020-10-21","18:00:00",""
"4346368","22.001","0.002","15.2676","0.0017","27.462","0.003","90","","90","","90","","9224.6","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H54 I P3 Se6 U -","- C24 H54 I P3 Se6 U -","- C192 H432 I8 P24 Se48 U8 -","8","2","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0281","0.0241","","","0.0551","0.056","","","","","","1.053","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4346369","20.874","0.003","18.581","0.003","16.759","0.002","90","","112.976","0.002","90","","5984.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Cu4 O0 P4 Se8 -","- C32 H72 Cu4 P4 Se8 -","- C128 H288 Cu16 P16 Se32 -","4","0.5","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0307","0.0203","","","0.0452","0.048","","","","","","1.024","","","","has coordinates","231747","2020-10-21","18:00:00",""
"4346370","21.242","0.004","36.15","0.006","10.995","0.002","90","","90","","90","","8443","3","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C55 H120 P8 S16 U2 -","- C55 H120 P8 S16 U2 -","- C220 H480 P32 S64 U8 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0437","0.0335","","","0.0802","0.0913","","","","","","1.061","","","","has coordinates,has disorder","231748","2020-10-21","18:00:00",""
"4346371","12.4588","0.0012","14.439","0.0014","21.264","0.002","90","","90","","90","","3825.2","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H50 Cl P3 Se6 U -","- C25 H50 Cl P3 Se6 U -","- C100 H200 Cl4 P12 Se24 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0222","0.0187","","","0.0386","0.0393","","","","","","0.943","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346372","16.7142","0.001","13.2787","0.0008","18.4521","0.0011","90","","96.405","0.001","90","","4069.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H56 P4 Se8 U -","- C24 H56 P4 Se8 U -","- C96 H224 P16 Se32 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0169","0.016","","","0.034","0.0342","","","","","","1.034","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346373","10.7542","0.0015","16.203","0.002","22.059","0.003","90","","90","","90","","3843.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H54 Cl P3 Se6 U -","- C24 H54 Cl P3 Se6 U -","- C96 H216 Cl4 P12 Se24 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0208","0.0175","","","0.0391","0.0408","","","","","","0.65","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346374","9.63","0.005","21.537","0.01","7.132","0.003","90","","92.915","0.007","90","","1477.3","1.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 Pt -","- C18 H12 N2 O4 Pt -","- C72 H48 N8 O16 Pt4 -","4","1","","Ebina, Masanori; Kobayashi, Atsushi; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Impact of a carboxyl group on a cyclometalated ligand: hydrogen-bond- and coordination-driven self-assembly of a luminescent platinum(II) complex.","Inorganic chemistry","2015","54","18","8878","8880","10.1021/acs.inorgchem.5b01343","","","0.71075","MoKα","","0.062","0.0517","","","0.1161","0.1208","","","","","","1.129","","","","has coordinates","231749","2020-10-21","18:00:00",""
"4346375","20.535","0.006","11.714","0.003","5.5719","0.0013","90","","90","","90","","1340.3","0.6","195","","195","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H12 N2 O2 Pt -","- C17 H12 N2 O2 Pt -","- C68 H48 N8 O8 Pt4 -","4","1","","Ebina, Masanori; Kobayashi, Atsushi; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako","Impact of a carboxyl group on a cyclometalated ligand: hydrogen-bond- and coordination-driven self-assembly of a luminescent platinum(II) complex.","Inorganic chemistry","2015","54","18","8878","8880","10.1021/acs.inorgchem.5b01343","","","0.71075","MoKα","","0.0295","0.0222","","","0.0328","0.0349","","","","","","1.014","","","","has coordinates","231749","2020-10-21","18:00:00",""
"4346376","19.8091","0.001","27.1281","0.0008","8.5796","0.0003","90","","111.74","0.004","90","","4282.6","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Co F12 N8 O2 P2 -","- C42 H36 Co F12 N8 O2 P2 -","- C168 H144 Co4 F48 N32 O8 P8 -","4","0.5","","Guo, Ying; Yang, Xiu-Long; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Spin Transition and Structural Transformation in a Mononuclear Cobalt(II) Complex.","Inorganic chemistry","2015","54","16","7670","7672","10.1021/acs.inorgchem.5b01344","","","1.54178","CuKα","","0.0897","0.0856","","","0.2528","0.258","","","","","","1.054","","","","has coordinates","231750","2020-10-21","18:00:00",""
"4346377","18.1455","0.0006","26.7653","0.0009","8.6418","0.0003","90","","93.208","0.003","90","","4190.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Co F12 N8 O2 P2 -","- C42 H36 Co F12 N8 O2 P2 -","- C168 H144 Co4 F48 N32 O8 P8 -","4","1","","Guo, Ying; Yang, Xiu-Long; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Spin Transition and Structural Transformation in a Mononuclear Cobalt(II) Complex.","Inorganic chemistry","2015","54","16","7670","7672","10.1021/acs.inorgchem.5b01344","","","1.54178","CuKα","","0.0956","0.08","","","0.2014","0.2098","","","","","","1.132","","","","has coordinates","231750","2020-10-21","18:00:00",""
"4346378","21.436","0.004","17.631","0.004","25.446","0.005","90","","90","","90","","9617","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C43 H36 Cl4 Co F12 N8 O P2 -","- C43 H36 Cl4 Co F12 N8 O P2 -","- C344 H288 Cl32 Co8 F96 N64 O8 P16 -","8","1","","Guo, Ying; Yang, Xiu-Long; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Spin Transition and Structural Transformation in a Mononuclear Cobalt(II) Complex.","Inorganic chemistry","2015","54","16","7670","7672","10.1021/acs.inorgchem.5b01344","","","0.71073","MoKα","","0.0614","0.0496","","","0.1384","0.1463","","","","","","1.065","","","","has coordinates","231750","2020-10-21","18:00:00",""
"4346379","9.9973","0.0003","14.7313","0.0005","14.8047","0.0005","101.685","0.003","109.567","0.003","95.189","0.003","1982.03","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H57 N3 O2 -","- C44 H57 N3 O2 -","- C88 H114 N6 O4 -","2","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","","1.54184","CuKα","","0.0594","0.0519","","","0.1504","0.1563","","","","","","1.073","","","","has coordinates","231751","2020-10-21","18:00:00",""
"4346380","16.5852","0.0005","19.3538","0.0004","21.8526","0.0006","83.0414","0.0019","68.429","0.003","87.206","0.002","6475","0.3","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C63.5 H79.86 Cl0.14 Cu2 F3 N7 O7.43 S -","- C63.5 H79.861 Cl0.139 Cu2 F3 N7 O7.4305 S -","- C254 H319.444 Cl0.556 Cu8 F12 N28 O29.722 S4 -","4","2","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","","1.54184","CuKα","","0.0551","0.0461","","","0.1304","0.1375","","","","","","1.054","","","","has coordinates,has disorder","231751","2020-10-21","18:00:00",""
"4346381","13.69383","0.00018","24.2156","0.0003","21.4722","0.0002","90","","99.1436","0.0012","90","","7029.8","0.14","99.8","0.4","99.8","0.4","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67.39 H76.79 Cl2.79 Cu2 F3 N7 O6 S -","- C67.394 H76.788 Cl2.788 Cu2 F3 N7 O6 S -","- C269.576 H307.152 Cl11.152 Cu8 F12 N28 O24 S4 -","4","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","","1.54184","CuKα","","0.0631","0.0573","","","0.164","0.1716","","","","","","1.038","","","","has coordinates,has disorder","231751","2020-10-21","18:00:00",""
"4346382","13.90318","0.00012","22.51761","0.00016","22.85172","0.00015","90","","100.112","0.0008","90","","7042.97","0.09","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H72 Cl2 F3 N7 O5 S Zn2 -","- C66 H72 Cl2 F3 N7 O5 S Zn2 -","- C264 H288 Cl8 F12 N28 O20 S4 Zn8 -","4","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","","1.54184","CuKα","","0.0376","0.0349","","","0.0978","0.1","","","","","","1.056","","","","has coordinates","231751","2020-10-21","18:00:00",""
"4346383","13.58121","0.00017","24.3465","0.0003","21.1737","0.0002","90","","100.421","0.0012","90","","6885.72","0.14","99.95","0.1","99.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.3 H84.72 Cl1.04 Co2 N7 O9.3 -","- C70.304 H84.724 Cl1.04 Co2 N7 O9.3 -","- C281.216 H338.896 Cl4.16 Co8 N28 O37.2 -","4","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","","1.54184","CuKα","","0.0524","0.049","","","0.1292","0.1317","","","","","","1.054","","","","has coordinates,has disorder","231751","2020-10-21","18:00:00",""
"4346384","11.774","0.0003","13.3797","0.0003","21.9485","0.0005","103.594","0.0019","90.9765","0.0018","93.6981","0.0019","3351.89","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H74 Br4 Cl Co2 N7 O8 -","- C66 H74 Br4 Cl Co2 N7 O8 -","- C132 H148 Br8 Cl2 Co4 N14 O16 -","2","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","x-ray","1.54184","CuKα","","0.0315","0.0292","","","0.07","0.0716","","","","","","1.025","","","","has coordinates,has disorder","231751","2020-10-21","18:00:00",""
"4346385","13.1787","0.0003","13.8609","0.0003","22.2351","0.0003","81.9458","0.0015","89.9831","0.0016","71.562","0.002","3810.96","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Br4 Cl5 Co2 N7 O8 -","- C66 H70 Br4 Cl5 Co2 N7 O8 -","- C132 H140 Br8 Cl10 Co4 N14 O16 -","2","1","","Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.","Inorganic chemistry","2015","54","17","8744","8754","10.1021/acs.inorgchem.5b01380","","x-ray","1.54184","CuKα","","0.0834","0.073","","","0.209","0.2197","","","","","","1.099","","","","has coordinates","231751","2020-10-21","18:00:00",""
"4346386","10.1455","0.0001","16.3292","0.0002","17.6183","0.0002","63.246","0.001","79.856","0.001","89.389","0.001","2557.75","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H50 B Cl2 F20 P6 Re -","- C43 H50 B Cl2 F20 P6 Re -","- C86 H100 B2 Cl4 F40 P12 Re2 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.038","0.0348","","","0.095","0.0971","","","","","","1.058","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346387","10.5112","0.0004","15.3343","0.0005","18.9462","0.0007","84.663","0.002","80.836","0.002","78.621","0.002","2949.56","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 B F20 P6 Re -","- C54 H72 B F20 P6 Re -","- C108 H144 B2 F40 P12 Re2 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0307","0.0253","","","0.0554","0.0576","","","","","","1.03","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346388","13.4704","0.0001","14.8232","0.0003","14.9949","0.0002","103.416","0.001","116.598","0.001","105.723","0.001","2349.88","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H42 B F20 P6 Re -","- C39 H42 B F20 P6 Re -","- C78 H84 B2 F40 P12 Re2 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0383","0.0325","","","0.0793","0.0831","","","","","","1.053","","","","has coordinates,has disorder","231752","2020-10-21","18:00:00",""
"4346389","11.092","0.0003","33.3161","0.001","18.1664","0.0005","90","","106.266","0.002","90","","6444.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 B F20 P6 Re -","- C69 H54 B F20 P6 Re -","- C276 H216 B4 F80 P24 Re4 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0403","0.031","","","0.0698","0.0731","","","","","","1.026","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346390","17.294","0.0002","17.6696","0.0003","27.3846","0.0004","72.514","0.001","78.494","0.001","77.689","0.001","7715.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H54 B F20 P6 Re -","- C45 H49.3333 B F20 P6 Re -","- C270 H296 B6 F120 P36 Re6 -","6","3","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.129","0.0829","","","0.2221","0.2561","","","","","","1.047","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346391","16.2261","0.0002","22.9605","0.0002","32.0279","0.0004","90","","102.157","0.001","90","","11664.7","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H48 B F20 P6 Re -","- C54 H48 B F20 P6 Re -","- C432 H384 B8 F160 P48 Re8 -","8","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0579","0.0484","","","0.1196","0.1227","","","","","","1.011","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346392","12.3644","0.0001","15.5167","0.0001","21.6151","0.0002","78.654","0.001","81.365","0.001","80.171","0.001","3976.97","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H57 B2 F40 N3 P6 Re -","- C72 H57 B2 F40 N3 P6 Re -","- C144 H114 B4 F80 N6 P12 Re2 -","2","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0499","0.0397","","","0.0903","0.095","","","","","","1.028","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346393","24.4989","0.0006","15.7767","0.0004","23.3647","0.0005","90","","92.819","0.001","90","","9019.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 B2 F40 O2 P6 Re -","- C80 H72 B2 F40 O2 P6 Re -","- C320 H288 B8 F160 O8 P24 Re4 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0827","0.0489","","","0.1241","0.1415","","","","","","1.03","","","","has coordinates,has disorder","231752","2020-10-21","18:00:00",""
"4346394","11.8283","0.0002","27.5978","0.0005","22.4523","0.0004","90","","99.528","0.001","90","","7228.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H44 B2 Cl2 F40 P6 Re -","- C64 H42 B2 Cl2 F40 P6 Re -","- C256 H168 B8 Cl8 F160 P24 Re4 -","4","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.1152","0.0708","","","0.1868","0.2187","","","","","","1.04","","","","has coordinates,has disorder","231752","2020-10-21","18:00:00",""
"4346395","20.9641","0.0006","20.9641","0.0006","20.9641","0.0006","90","","90","","90","","9213.6","0.5","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H108 F18 P15 Re2 -","- C90 H108 F18.04 P15 Re2 -","- C360 H432 F72.16 P60 Re8 -","4","0.166667","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0432","0.0306","","","0.0713","0.0845","","","","","","1.138","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346396","13.4084","0.0004","21.1279","0.0006","17.1012","0.0006","90","","104.33","0.002","90","","4693.9","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H53 Cl F12 P6 Re Sb2 -","- C36 H53 Cl F12 P6 Re Sb2 -","- C144 H212 Cl4 F48 P24 Re4 Sb8 -","4","2","","Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.","Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.","Inorganic chemistry","2015","54","23","11136","11149","10.1021/acs.inorgchem.5b01395","","","0.71073","MoKα","","0.0522","0.0387","","","0.0706","0.0747","","","","","","0.985","","","","has coordinates","231752","2020-10-21","18:00:00",""
"4346397","18.0988","0.001","14.5114","0.0008","18.8265","0.0011","90","","111.519","0.002","90","","4599.9","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 F O P2 -","- C49 H64 F O1.376 P2 -","- C196 H256 F4 O5.504 P8 -","4","1","","Ueta, Yasuhiro; Mikami, Koichi; Ito, Shigekazu","Chemical Detection of Hydrogen Fluoride by the Phosphorus Congener of Cyclobutane-1,3-diyl.","Inorganic chemistry","2015","54","17","8778","8785","10.1021/acs.inorgchem.5b01399","","","0.71075","MoKα","","0.1673","0.0992","","","0.2512","0.3054","","","","","","1.618","","","","has coordinates,has disorder","231753","2020-10-21","18:00:00",""
"4346398","9.4898","0.0006","10.8011","0.0005","26.3998","0.0012","97.538","0.001","98.853","0.002","95.676","0.002","2631","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H87 Cl N4 P2 -","- C54 H87 Cl N4 P2 -","- C108 H174 Cl2 N8 P4 -","2","1","","Ueta, Yasuhiro; Mikami, Koichi; Ito, Shigekazu","Chemical Detection of Hydrogen Fluoride by the Phosphorus Congener of Cyclobutane-1,3-diyl.","Inorganic chemistry","2015","54","17","8778","8785","10.1021/acs.inorgchem.5b01399","","","0.71075","MoKα","","0.1736","0.0954","","","0.2373","0.3213","","","","","","1.734","","","","has coordinates","231754","2020-10-21","18:00:00",""
"4346399","14.7574","0.0005","18.9788","0.0007","18.1041","0.0006","90","","103.344","0.0009","90","","4933.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H78 Cl F2 N3 P2 -","- C50 H78 Cl F2 N3 P2 -","- C200 H312 Cl4 F8 N12 P8 -","4","1","","Ueta, Yasuhiro; Mikami, Koichi; Ito, Shigekazu","Chemical Detection of Hydrogen Fluoride by the Phosphorus Congener of Cyclobutane-1,3-diyl.","Inorganic chemistry","2015","54","17","8778","8785","10.1021/acs.inorgchem.5b01399","","","0.71075","MoKα","","0.0601","0.0483","","","0.1542","0.164","","","","","","1.237","","","","has coordinates,has disorder","231755","2020-10-21","18:00:00",""
"4346400","11.207","0.002","19.142","0.004","13.093","0.003","90","","94.83","0.03","90","","2798.8","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F26 Gd2 N4 O10 -","- C52 H24 F26 Gd2 N4 O10 -","- C104 H48 F52 Gd4 N8 O20 -","2","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0317","0.0255","","","0.0543","0.0568","","","","","","1.005","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346401","11.229","0.002","19.093","0.004","13.064","0.003","90","","94.85","0.03","90","","2790.8","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F26 N4 O10 Tb2 -","- C52 H24 F26 N4 O10 Tb2 -","- C104 H48 F52 N8 O20 Tb4 -","2","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.029","0.0254","","","0.0575","0.0593","","","","","","1.093","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346402","11.245","0.002","19.04","0.004","13.046","0.003","90","","94.68","0.03","90","","2783.9","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Dy2 F26 N4 O10 -","- C52 H24 Dy2 F26 N4 O10 -","- C104 H48 Dy4 F52 N8 O20 -","2","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0319","0.0263","","","0.0566","0.059","","","","","","1.066","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346403","11.266","0.002","19.005","0.004","13.043","0.003","90","","94.47","0.03","90","","2784.1","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F26 Ho2 N4 O10 -","- C52 H24 F26 Ho2 N4 O10 -","- C104 H48 F52 Ho4 N8 O20 -","2","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0253","0.0225","","","0.0526","0.054","","","","","","1.101","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346404","11.277","0.002","18.986","0.004","13.026","0.003","90","","94.42","0.03","90","","2780.6","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Er2 F26 N4 O10 -","- C52 H24 Er2 F25.994 N4 O10 -","- C104 H48 Er4 F51.988 N8 O20 -","2","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.027","0.0236","","","0.0623","0.0641","","","","","","1.146","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346405","10.863","0.002","19.489","0.004","13.226","0.003","90","","108.25","0.03","90","","2659.2","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 F14 Gd2 N4 O10 -","- C52 H36 F14 Gd2 N4 O10 -","- C104 H72 F28 Gd4 N8 O20 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0472","0.0437","","","0.1049","0.1079","","","","","","0.985","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346406","10.86","0.002","19.431","0.004","13.198","0.003","90","","108","0.03","90","","2648.7","1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 F14 N4 O10 Tb2 -","- C52 H36 F14 N4 O10 Tb2 -","- C104 H72 F28 N8 O20 Tb4 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0511","0.0461","","","0.1017","0.1056","","","","","","1.037","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346407","10.959","0.002","19.531","0.004","13.299","0.003","90","","108.3","0.03","90","","2702.6","1.1","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H36 Dy2 F14 N4 O10 -","- C52 H36 Dy2 F14 N4 O10 -","- C104 H72 Dy4 F28 N8 O20 -","2","1","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0613","0.051","","","0.0939","0.1011","","","","","","0.952","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346409","11.034","0.002","13.209","0.003","14.584","0.003","68.82","0.03","86.43","0.03","76.58","0.03","1927.3","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H46 Dy2 F14 N4 O10 -","- C79 H46 Dy2 F14 N4 O10 -","- C79 H46 Dy2 F14 N4 O10 -","1","0.5","","Wang, Wen-Min; Zhang, Hong-Xia; Wang, Shi-Yu; Shen, Hai-Yun; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Ligand Field Affected Single-Molecule Magnet Behavior of Lanthanide(III) Dinuclear Complexes with an 8-Hydroxyquinoline Schiff Base Derivative as Bridging Ligand.","Inorganic chemistry","2015","54","22","10610","10622","10.1021/acs.inorgchem.5b01404","","","0.71073","MoKα","","0.0493","0.0467","","","0.1522","0.1574","","","","","","1.109","","","","has coordinates,has disorder","231757","2020-10-21","18:00:00",""
"4346410","10.871","0.002","11.507","0.002","11.956","0.002","100.775","0.002","100.271","0.002","106.456","0.001","1365.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N4 O4 Ru -","- C30 H31 N4 O4 Ru -","- C60 H62 N8 O8 Ru2 -","2","1","","Mandal, Abhishek; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","Evidence for Bidirectional Noninnocent Behavior of a Formazanate Ligand in Ruthenium Complexes.","Inorganic chemistry","2015","54","16","8126","8135","10.1021/acs.inorgchem.5b01408","","","0.7107","MoKα","","0.0314","0.0278","","","0.0675","0.0691","","","","","","1.044","","","","has coordinates","231758","2020-10-21","18:00:00",""
"4346411","14.021","0.009","18.008","0.009","16.026","0.009","90","","107.634","0.011","90","","3856","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cl N10 O4 Ru -","- C42 H35 Cl N10 O4 Ru -","- C168 H140 Cl4 N40 O16 Ru4 -","4","1","","Mandal, Abhishek; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","Evidence for Bidirectional Noninnocent Behavior of a Formazanate Ligand in Ruthenium Complexes.","Inorganic chemistry","2015","54","16","8126","8135","10.1021/acs.inorgchem.5b01408","","","0.71075","MoKα","","0.0771","0.0686","","","0.1527","0.1582","","","","","","1.093","","","","has coordinates","231759","2020-10-21","18:00:00",""
"4346412","12.886","0.006","17.921","0.008","22.418","0.011","97.35","0.02","105.3","0.03","109.36","0.02","4577","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Cl N8 O4 Ru -","- C40 H33 Cl N8 O4 Ru -","- C160 H132 Cl4 N32 O16 Ru4 -","4","2","","Mandal, Abhishek; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar","Evidence for Bidirectional Noninnocent Behavior of a Formazanate Ligand in Ruthenium Complexes.","Inorganic chemistry","2015","54","16","8126","8135","10.1021/acs.inorgchem.5b01408","","","0.71075","MoKα","","0.1107","0.0905","","","0.2318","0.2493","","","","","","1.036","","","","has coordinates","231760","2020-10-21","18:00:00",""
"4346413","14.082","0.0006","23.4788","0.001","9.2804","0.0004","90","","109.007","0.003","90","","2901.1","0.2","100","2","99.96","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H88 Br2 Co2 N12 O4 -","- C56 H88 Br2 Co2 N12 O4 -","- C112 H176 Br4 Co4 N24 O8 -","2","0.5","","Heffern, Marie C.; Reichova, Viktorie; Coomes, Joseph L.; Harney, Allison S.; Bajema, Elizabeth A.; Meade, Thomas J.","Tuning cobalt(III) Schiff base complexes as activated protein inhibitors.","Inorganic chemistry","2015","54","18","9066","9074","10.1021/acs.inorgchem.5b01415","","","1.54178","CuKα","","0.074","0.0465","","","0.1053","0.1161","","","","","","1.016","","","","has coordinates","231761","2020-10-21","18:00:00",""
"4346414","13.1758","0.0005","13.3209","0.0005","18.7343","0.0006","75.565","0.002","72.988","0.001","82.484","0.002","3039.03","0.19","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 F6 N2 P3 -","- C33 H29 F6 N2 P3 -","- C132 H116 F24 N8 P12 -","4","2","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","x-ray","0.71073","MoKα","","0.0366","0.0294","","","0.0725","0.0764","","","","","","1.042","","","","has coordinates","231762","2020-10-21","18:00:00",""
"4346415","16.8923","0.0004","23.2464","0.0006","19.7992","0.0005","90","","95.9309","0.0012","90","","7733.2","0.3","123","1","123","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 F6 N2 O2 P3 Rh S2 -","- C37 H40 F6 N2 O2 P3 Rh S2 -","- C296 H320 F48 N16 O16 P24 Rh8 S16 -","8","1","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","","0.71073","MoKα","","0.0542","0.0512","","","0.1255","0.1271","","","","","","1.207","","","","has coordinates","231762","2020-10-21","18:00:00",""
"4346416","10.2501","0.0007","18.5633","0.0013","20.8712","0.0014","90","","101.726","0.003","90","","3888.4","0.5","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 F6 N5 P3 Rh -","- C39 H37 F6 N5 P3 Rh -","- C156 H148 F24 N20 P12 Rh4 -","4","1","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","","0.71073","MoKα","","0.0451","0.0377","","","0.0973","0.1053","","","","","","1.077","","","","has coordinates","231762","2020-10-21","18:00:00",""
"4346417","13.8424","0.0006","15.2793","0.0007","15.9485","0.0007","86.477","0.002","89.297","0.002","76.105","0.002","3268.2","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Cl F6 N2 P3 Pd -","- C33 H28 Cl F6 N2 P3 Pd -","- C132 H112 Cl4 F24 N8 P12 Pd4 -","4","2","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","","0.71073","MoKα","","0.0208","0.0189","","","0.0504","0.0514","","","","","","1.051","","","","has coordinates","231762","2020-10-21","18:00:00",""
"4346418","11.0952","0.0005","11.8453","0.0005","12.5833","0.0006","99.828","0.002","94.714","0.002","94.948","0.002","1615.5","0.13","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H28 F6 N2 O P3 Rh -","- C34 H28 F6 N2 O P3 Rh -","- C68 H56 F12 N4 O2 P6 Rh2 -","2","1","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","","0.71073","MoKα","","0.0186","0.018","","","0.0466","0.047","","","","","","1.056","","","","has coordinates","231762","2020-10-21","18:00:00",""
"4346419","12.0213","0.0003","15.1548","0.0004","18.3327","0.0005","99.852","0.002","103.228","0.001","94.338","0.001","3180.27","0.15","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H67 F6 N4 O P5 Rh2 -","- C69.998 H66.995 F6 N4 O P5 Rh2 -","- C139.996 H133.99 F12 N8 O2 P10 Rh4 -","2","1","","Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard","Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.","Inorganic chemistry","2015","54","19","9517","9528","10.1021/acs.inorgchem.5b01428","","x-ray","0.71073","MoKα","","0.0329","0.0257","","","0.0595","0.0621","","","","","","1.035","","","","has coordinates,has disorder","231762","2020-10-21","18:00:00",""
"4346420","11.85","0.002","14.358","0.003","18.744","0.004","90","","104.845","0.006","90","","3082.7","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 F12 Mn N2 O6 -","- C27 H21 F12 Mn N2 O6 -","- C108 H84 F48 Mn4 N8 O24 -","4","1","","Cassaro, Rafael A Allão; Reis, Samira G.; Araujo, Thamyres S.; Lahti, Paul M.; Novak, Miguel A.; Vaz, Maria G. F.","A single-chain magnet with a very high blocking temperature and a strong coercive field.","Inorganic chemistry","2015","54","19","9381","9383","10.1021/acs.inorgchem.5b01431","","","0.71073","MoKα","","0.1521","0.0773","","","0.1386","0.1649","","","","","","1.056","","","","has coordinates,has disorder","231763","2020-10-21","18:00:00",""
"4346421","11.789","0.005","14.109","0.005","18.859","0.005","90","0.005","104.383","0.005","90","0.005","3038.5","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Co F12 N2 O6 -","- C27 H21 Co F12 N2 O6 -","- C108 H84 Co4 F48 N8 O24 -","4","1","","Cassaro, Rafael A Allão; Reis, Samira G.; Araujo, Thamyres S.; Lahti, Paul M.; Novak, Miguel A.; Vaz, Maria G. F.","A single-chain magnet with a very high blocking temperature and a strong coercive field.","Inorganic chemistry","2015","54","19","9381","9383","10.1021/acs.inorgchem.5b01431","","","0.71073","MoKα","","0.0631","0.0481","","","0.1078","0.1184","","","","","","1.041","","","","has coordinates,has disorder","231764","2020-10-21","18:00:00",""
"4346422","13.821","0.005","14.266","0.005","16.301","0.005","65.554","0.005","85.791","0.005","62.335","0.005","2563.2","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H128 Cd7 Cl22 N12 Se6 -","- C52 H128 Cd7 Cl22 N12 Se6 -","- C52 H128 Cd7 Cl22 N12 Se6 -","1","0.5","","Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.","Inorganic chemistry","2015","54","19","9499","9508","10.1021/acs.inorgchem.5b01434","","","0.71073","MoKα","","0.0551","0.0427","","","0.0965","0.1034","","","","","","1.102","","","","has coordinates","231765","2020-10-21","18:00:00",""
"4346423","18.468","0.005","14.827","0.005","20.426","0.005","90","","90","","90","","5593","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloridobis(N,N'-tert-butyl selenium diimide)- cadmium-acetonitrile(1/1)","","- C18 H39 Cd Cl2 N5 Se2 -","- C18 H39 Cd Cl2 N5 Se2 -","- C144 H312 Cd8 Cl16 N40 Se16 -","8","1","","Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.","Inorganic chemistry","2015","54","19","9499","9508","10.1021/acs.inorgchem.5b01434","","","0.71073","MoKα","","0.0532","0.0386","","","0.0945","0.1026","","","","","","1.103","","","","has coordinates","231766","2020-10-21","18:00:00",""
"4346424","18.485","0.005","14.886","0.005","20.405","0.005","90","","90","","90","","5615","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloridobis(N,N'-tert-butyl selenium diimide)- mercury-acetonitrile(1/1)","","- C18 H39 Cl2 Hg N5 Se2 -","- C18 H39 Cl2 Hg N5 Se2 -","- C144 H312 Cl16 Hg8 N40 Se16 -","8","1","","Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.","Inorganic chemistry","2015","54","19","9499","9508","10.1021/acs.inorgchem.5b01434","","","0.71073","MoKα","","0.067","0.0471","","","0.1101","0.1204","","","","","","1.129","","","","has coordinates","231767","2020-10-21","18:00:00",""
"4346425","11.4553","0.0012","12.7218","0.0013","15.2644","0.0016","102.88","0.002","95.534","0.002","94.955","0.002","2145.1","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H100 Cl8 Cu4 Ge4 I4 N8 O2 -","- C64 H100 Cl8 Cu4 Ge4 I4 N8 O2 -","- C64 H100 Cl8 Cu4 Ge4 I4 N8 O2 -","1","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0482","0.037","","","0.0891","0.1086","","","","","","1.085","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346426","12.2237","0.0015","18.375","0.002","18.579","0.002","77.751","0.002","88.857","0.002","75.862","0.002","3952.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H92 Cu3 Ge4 I3 N8 O2 -","- C60 H92 Cu3 Ge4 I3 N8 O2 -","- C120 H184 Cu6 Ge8 I6 N16 O4 -","2","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0754","0.0517","","","0.1323","0.1398","","","","","","0.98","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346427","23.773","0.005","10.873","0.002","21.329","0.004","90","","98.95","0.03","90","","5446.1","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cu2 Ge2 I2 N8 O -","- C50 H66 Cu2 Ge2 I2 N8 O -","- C200 H264 Cu8 Ge8 I8 N32 O4 -","4","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0567","0.0471","","","0.0915","0.0949","","","","","","1.167","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346428","13.2808","0.0011","17.4011","0.0013","19.7212","0.0016","90","","102.486","0.001","90","","4449.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H106 Ag4 Ge4 I4 N12 O2 -","- C74 H106 Ag4 Ge4 I4 N12 O2 -","- C148 H212 Ag8 Ge8 I8 N24 O4 -","2","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0469","0.0392","","","0.1089","0.1135","","","","","","1.047","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346429","15.0415","0.0014","14.3574","0.0012","35.275","0.003","90","","90","","90","","7617.9","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Au2 Ge2 I2 N4 O -","- C30 H46 Au2 Ge2 I2 N4 O -","- C240 H368 Au16 Ge16 I16 N32 O8 -","8","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0938","0.0668","","","0.1312","0.1429","","","","","","1.131","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346430","11.2903","0.001","12.697","0.0011","13.2039","0.0012","78.369","0.007","84.379","0.007","71.91","0.007","1761","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 F12 Fe2 N18 O14 S6 -","- C52 H66 F12 Fe2 N18 O14 S6 -","- C52 H66 F12 Fe2 N18 O14 S6 -","1","0.5","","Meyer, Steffen; Krahe, Oliver; Kupper, Claudia; Klawitter, Iris; Demeshko, Serhiy; Bill, Eckhard; Neese, Frank; Meyer, Franc","A trans-1,2 End-On Disulfide-Bridged Iron-Tetracarbene Dimer and Its Electronic Structure.","Inorganic chemistry","2015","54","20","9770","9776","10.1021/acs.inorgchem.5b01446","","","0.71073","MoKα","","0.1342","0.0766","","","0.1738","0.2036","","","","","","0.992","","","","has coordinates","231769","2020-10-21","18:00:00",""
"4346431","12.4149","0.0003","13.0847","0.0002","16.3421","0.0004","90","","109.92","0.003","90","","2495.86","0.11","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Eu N9 O10 -","- C19 H20 Eu N9 O10 -","- C76 H80 Eu4 N36 O40 -","4","1","","Wang, Jieru; Su, Dongping; Wang, Dongqi; Ding, Songdong; Huang, Chao; Huang, Huang; Hu, Xiaoyang; Wang, Zhipeng; Li, Shimeng","Selective Extraction of Americium(III) over Europium(III) with the Pyridylpyrazole Based Tetradentate Ligands: Experimental and Theoretical Study.","Inorganic chemistry","2015","54","22","10648","10655","10.1021/acs.inorgchem.5b01452","","x-ray","1.54184","CuKα","","0.0619","0.0525","","","0.1314","0.1409","","","","","","1.044","","","","has coordinates","231770","2020-10-21","18:00:00",""
"4346432","12.9977","0.001","13.782","0.001","16.4446","0.0012","90","","104.851","0.001","90","","2847.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C25 H22 Cl F3 Fe N6 O7 S -","- C25 H22 Cl F3 Fe N6 O7 S -","- C100 H88 Cl4 F12 Fe4 N24 O28 S4 -","4","1","","Olivo, Giorgio; Nardi, Martina; Vìdal, Diego; Barbieri, Alessia; Lapi, Andrea; Gómez, Laura; Lanzalunga, Osvaldo; Costas, Miquel; Di Stefano, Stefano","C-H Bond Oxidation Catalyzed by an Imine-Based Iron Complex: A Mechanistic Insight.","Inorganic chemistry","2015","54","21","10141","10152","10.1021/acs.inorgchem.5b01500","","","0.71073","MoKα","","0.0718","0.0685","","","0.1761","0.1814","","","","","","1.039","","","","has coordinates","231771","2020-10-21","18:00:00",""
"4346433","12.332","0.008","14.479","0.008","20.801","0.011","90","","93.797","0.013","90","","3706","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F6 Fe N6 O6 S2 -","- C28 H26 F6 Fe N6 O6 S2 -","- C112 H104 F24 Fe4 N24 O24 S8 -","4","1","","Olivo, Giorgio; Nardi, Martina; Vìdal, Diego; Barbieri, Alessia; Lapi, Andrea; Gómez, Laura; Lanzalunga, Osvaldo; Costas, Miquel; Di Stefano, Stefano","C-H Bond Oxidation Catalyzed by an Imine-Based Iron Complex: A Mechanistic Insight.","Inorganic chemistry","2015","54","21","10141","10152","10.1021/acs.inorgchem.5b01500","","","0.71073","MoKα","","0.1813","0.0782","","","0.2131","0.3008","","","","","","1.006","","","","has coordinates","231772","2020-10-21","18:00:00",""
"4346434","15.595","0.014","26.18","0.02","13.761","0.011","90","","90","","90","","5618","8","298","2","298","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C26 H34 B F4 Fe Ru S2 -","- C26 H34 B F4 Fe Ru S2 -","- C208 H272 B8 F32 Fe8 Ru8 S16 -","8","0.5","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.1387","0.0861","","","0.1775","0.1933","","","","","","0.989","","","","has coordinates","231773","2020-10-21","18:00:00",""
"4346435","14.6275","0.0012","27.412","0.002","15.5093","0.0013","90","","115.147","0.001","90","","5629.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 B F4 Ru2 S2 -","- C26 H35 B F4 Ru2 S2 -","- C208 H280 B8 F32 Ru16 S16 -","8","2","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.0435","0.033","","","0.0835","0.0883","","","","","","1.018","","","","has coordinates,has disorder","231774","2020-10-21","18:00:00",""
"4346436","10.9904","0.0007","15.3232","0.001","16.1802","0.001","85.717","0.004","80.189","0.004","69.812","0.004","2519.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Ru2 S2 -","- C26 H34 Ru2 S2 -","- C104 H136 Ru8 S8 -","4","2","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.0752","0.0611","","","0.1835","0.192","","","","","","1","","","","has coordinates","231775","2020-10-21","18:00:00",""
"4346437","9.6939","0.0012","9.8146","0.0013","15.415","0.0019","104.461","0.009","100.202","0.009","108.604","0.009","1292.2","0.3","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H35 Fe2 S2 -","- C26 H35 Fe2 S2 -","- C52 H70 Fe4 S4 -","2","1","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.1127","0.059","","","0.1383","0.1553","","","","","","1.05","","","","has coordinates","231776","2020-10-21","18:00:00",""
"4346438","15.566","0.004","26.416","0.006","13.53","0.003","90","","90","","90","","5563","2","298","2","298","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H34 B F4 Fe2 S2 -","- C26 H34 B F4 Fe2 S2 -","- C208 H272 B8 F32 Fe16 S16 -","8","0.5","","Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping","Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.","Inorganic chemistry","2015","54","21","10243","10249","10.1021/acs.inorgchem.5b01508","","","0.71073","MoKα","","0.0614","0.0421","","","0.1309","0.1454","","","","","","1","","","","has coordinates,has disorder","231777","2020-10-21","18:00:00",""
"4346439","13.8776","0.0003","14.1536","0.0005","19.0721","0.0006","105.993","0.003","96.91","0.002","99.567","0.002","3496.09","0.19","149.9","0.4","149.9","0.4","","","","","","","","8","P -1","-P 1","2","","","","- C66 H63 B F24 Mo2 O2 P2 S -","- C66 H63 B F24 Mo2 O2 P2 S -","- C132 H126 B2 F48 Mo4 O4 P4 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex [Mo2(η(5)-C5H5)(μ-κ(1):κ(1),η(5)-PC5H4)(η(6)-C6H3(t)Bu3)(CO)2(PMe3)].","Inorganic chemistry","2015","54","20","9810","9820","10.1021/acs.inorgchem.5b01527","","x-ray","1.54184","CuKα","","0.097","0.0866","","","0.2345","0.2473","","","","","","1.057","","","","has coordinates,has disorder","231778","2020-10-21","18:00:00",""
"4346440","13.0024","0.0003","15.9819","0.0004","18.5868","0.0005","80.395","0.002","86.049","0.002","80.743","0.002","3755.14","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C147 H143 B2 F48 Mo4 O5 P4 -","- C147 H143 B2 F48 Mo4 O5 P4 -","- C147 H143 B2 F48 Mo4 O5 P4 -","1","0.5","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex [Mo2(η(5)-C5H5)(μ-κ(1):κ(1),η(5)-PC5H4)(η(6)-C6H3(t)Bu3)(CO)2(PMe3)].","Inorganic chemistry","2015","54","20","9810","9820","10.1021/acs.inorgchem.5b01527","","x-ray","1.54184","CuKα","","0.0633","0.0537","","","0.1403","0.1493","","","","","","1.028","","","","has coordinates,has disorder","231778","2020-10-21","18:00:00",""
"4346441","8.9821","0.0002","16.1921","0.0003","10.7742","0.0002","90","","101.161","0.002","90","","1537.35","0.05","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C32 H43 Mo2 O2 P S -","- C32 H43 Mo2 O2 P S -","- C64 H86 Mo4 O4 P2 S2 -","2","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex [Mo2(η(5)-C5H5)(μ-κ(1):κ(1),η(5)-PC5H4)(η(6)-C6H3(t)Bu3)(CO)2(PMe3)].","Inorganic chemistry","2015","54","20","9810","9820","10.1021/acs.inorgchem.5b01527","","x-ray","1.54184","CuKα","","0.0402","0.0359","","","0.0884","0.092","","","","","","1.066","","","","has coordinates","231778","2020-10-21","18:00:00",""
"4346442","18.378","0.0007","10.4361","0.0004","23.1475","0.0008","90","","94.4895","0.0015","90","","4425.9","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 2","","","- C43 H52 Cl2 N2 O8 Rh2 -","- C43 H52 Cl2 N2 O8 Rh2 -","- C172 H208 Cl8 N8 O32 Rh8 -","4","0.5","","Warzecha, Evan; Berto, Timothy C.; Berry, John F.","Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.","Inorganic chemistry","2015","54","17","8817","8824","10.1021/acs.inorgchem.5b01532","","x-ray","0.71073","MoKα","","0.028","0.0259","","","0.0612","0.0625","","","","","","1.115","","","","has coordinates,has disorder","231779","2020-10-21","18:00:00",""
"4346443","10.2303","0.0003","20.4927","0.0007","11.1999","0.0004","90","","114.096","0.0013","90","","2143.42","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C44 H54 N2 O8 Rh2 -","- C44 H54 N2 O8 Rh2 -","- C88 H108 N4 O16 Rh4 -","2","0.5","","Warzecha, Evan; Berto, Timothy C.; Berry, John F.","Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.","Inorganic chemistry","2015","54","17","8817","8824","10.1021/acs.inorgchem.5b01532","","x-ray","1.54178","CuKα","","0.0239","0.0227","","","0.0609","0.0618","","","","","","1.042","","","","has coordinates","231779","2020-10-21","18:00:00",""
"4346444","10.828","0.003","11.342","0.003","18.18","0.004","83.808","0.011","85.788","0.009","77.087","0.009","2160.7","1","100","","100","","","","","","","","","5","P -1","-P 1","2","Compound 4","","","- C46 H58 N2 O8 Rh2 -","- C46 H58 N2 O8 Rh2 -","- C92 H116 N4 O16 Rh4 -","2","1","","Warzecha, Evan; Berto, Timothy C.; Berry, John F.","Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.","Inorganic chemistry","2015","54","17","8817","8824","10.1021/acs.inorgchem.5b01532","","","0.71073","MoKα","","0.043","0.0357","","","0.0889","0.093","","","","","","1.034","","","","has coordinates,has disorder","231779","2020-10-21","18:00:00",""
"4346445","9.888","0.003","15.882","0.004","13.728","0.003","90","","92.222","0.005","90","","2154.2","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound 5","","","- C38 H50 Cl4 N2 O8 Rh2 -","- C38 H50 Cl4 N2 O8 Rh2 -","- C76 H100 Cl8 N4 O16 Rh4 -","2","0.5","","Warzecha, Evan; Berto, Timothy C.; Berry, John F.","Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.","Inorganic chemistry","2015","54","17","8817","8824","10.1021/acs.inorgchem.5b01532","","","0.71073","MoKα","","0.019","0.0174","","","0.0426","0.0436","","","","","","1.046","","","","has coordinates,has disorder","231779","2020-10-21","18:00:00",""
"4346446","11.6239","0.001","11.9813","0.0008","15.6522","0.0009","100.665","0.006","91.507","0.006","115.278","0.004","1923.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Compound 6","","","- C35 H50.25 Cl1.75 O10.13 Rh2 -","- C35 H50.253 Cl1.747 O10.1265 Rh2 -","- C70 H100.506 Cl3.494 O20.253 Rh4 -","2","1","","Warzecha, Evan; Berto, Timothy C.; Berry, John F.","Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.","Inorganic chemistry","2015","54","17","8817","8824","10.1021/acs.inorgchem.5b01532","","","1.54178","CuKα","","0.0192","0.0189","","","0.0459","0.0461","","","","","","1.106","","","","has coordinates,has disorder","231779","2020-10-21","18:00:00",""
"4346447","18.6633","0.0001","14.0837","0.0001","18.5416","0.0001","90","","93.0418","0.0005","90","","4866.76","0.05","119.9","0.14","119.9","0.14","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one with Zn(II) 2:1 copmplex and 0.90 methanol","","- C57.8 H43.2 N10 O3.8 Zn -","- C57.8 H36 N10 O3.8 Zn -","- C231.2 H144 N40 O15.2 Zn4 -","4","0.5","","Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna","Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.","Inorganic chemistry","2015","54","17","8423","8435","10.1021/acs.inorgchem.5b01533","","","1.54184","CuKα","","0.0364","0.0355","","","0.1004","0.1011","","","","","","1.068","","","","has coordinates","231780","2020-10-21","18:00:00",""
"4346448","11.6851","0.0002","11.2288","0.0002","16.2568","0.0002","90","","99.62","0.002","90","","2103.05","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one","","- C28 H19 N5 O -","- C28 H19 N5 O -","- C112 H76 N20 O4 -","4","1","","Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna","Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.","Inorganic chemistry","2015","54","17","8423","8435","10.1021/acs.inorgchem.5b01533","","","1.54184","CuKα","","0.0428","0.0367","","","0.0979","0.104","","","","","","1.024","","","","has coordinates","231781","2020-10-21","18:00:00",""
"4346449","11.2768","0.0007","6.4518","0.0003","15.123","0.0007","90","","105.614","0.006","90","","1059.68","0.1","104.9","0.4","104.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one","","- C28 H19 N5 O -","- C28 H19 N5 O -","- C56 H38 N10 O2 -","2","1","","Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna","Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.","Inorganic chemistry","2015","54","17","8423","8435","10.1021/acs.inorgchem.5b01533","","x-ray","0.71073","MoKα","","0.0676","0.0517","","","0.1231","0.1329","","","","","","1.116","","","","has coordinates","231782","2020-10-21","18:00:00",""
"4346450","14.6254","0.0009","14.1188","0.0007","23.2687","0.0011","90","","96.737","0.005","90","","4771.6","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H105 N15 O23 Re4 -","- C81 H105 N15 O23 Re4 -","- C162 H210 N30 O46 Re8 -","2","0.5","","Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala","Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.","Inorganic chemistry","2015","54","22","10686","10694","10.1021/acs.inorgchem.5b01543","","","0.71073","MoKα","","0.056","0.0375","","","0.0871","0.0965","","","","","","1.086","","","","has coordinates,has disorder","231783","2020-10-21","18:00:00",""
"4346451","21.9339","0.0006","20.4623","0.0004","20.0974","0.0005","90","","90","","90","","9020.1","0.4","153","4","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C83 H76 N9 O17 Re4 -","- C83 H74 N9 O17 Re4 -","- C332 H296 N36 O68 Re16 -","4","1","","Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala","Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.","Inorganic chemistry","2015","54","22","10686","10694","10.1021/acs.inorgchem.5b01543","","","0.71073","MoKα","","0.0677","0.0494","","","0.1139","0.1228","","","","","","1.003","","","","has coordinates,has disorder","231783","2020-10-21","18:00:00",""
"4346452","23.0606","0.0016","22.355","0.002","12.2692","0.0007","90","","90","","90","","6325","0.8","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C80 H60 N8 O16 Re4 -","- C80 H60 N8 O16 Re4 -","- C160 H120 N16 O32 Re8 -","2","0.5","","Govindarajan, R.; Nagarajaprakash, R.; Manimaran, Bala","Synthesis, Structural Characterization, and Host-Guest Studies of Aminoquinonato-Bridged Re(I) Supramolecular Rectangles.","Inorganic chemistry","2015","54","22","10686","10694","10.1021/acs.inorgchem.5b01543","","","0.71073","MoKα","","0.1103","0.0722","","","0.1869","0.2051","","","","","","0.972","","","","has coordinates","231783","2020-10-21","18:00:00",""
"4346453","13.716","0.0005","38.9963","0.0018","9.9102","0.0004","90","","96.258","0.002","90","","5269.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 I N4 O2 U -","- C54 H82 I N4 O2 U -","- C216 H328 I4 N16 O8 U4 -","4","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.1001","0.0462","","","0.0652","0.0731","","","","","","0.914","","","","has coordinates,has disorder","231784","2020-10-21","18:00:00",""
"4346454","12.8034","0.0004","12.8473","0.0003","16.0756","0.0004","95.0382","0.0007","98.0529","0.0007","111.837","0.0008","2401.99","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H73 I2 N5 O2 U -","- C44 H73 I2 N5 O2 U -","- C88 H146 I4 N10 O4 U2 -","2","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.0276","0.0231","","","0.0544","0.0558","","","","","","1.046","","","","has coordinates","231784","2020-10-21","18:00:00",""
"4346455","10.1487","0.0002","13.5956","0.0002","19.218","0.004","72.143","0.002","75.293","0.002","69.787","0.001","2335.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 N11 O2 U -","- C44 H73 N11 O2 U -","- C88 H146 N22 O4 U2 -","2","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.026","0.0223","","","0.052","0.0531","","","","","","1.041","","","","has coordinates,has disorder","231784","2020-10-21","18:00:00",""
"4346456","14.9305","0.0006","17.8268","0.0007","18.5796","0.0008","91.177","0.002","97.279","0.002","95.629","0.002","4879","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H155 N15 O4 U2 -","- C99 H155 N15 O4 U2 -","- C198 H310 N30 O8 U4 -","2","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.0529","0.0338","","","0.0741","0.0784","","","","","","1.025","","","","has coordinates,has disorder","231784","2020-10-21","18:00:00",""
"4346457","13.3031","0.0002","13.9263","0.0002","16.7844","0.0003","103.152","0.001","109.531","0.001","106.629","0.001","2622.03","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H80 N6 O2 U -","- C54 H80 N6 O2 U -","- C108 H160 N12 O4 U2 -","2","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.0225","0.0198","","","0.0486","0.0493","","","","","","1.059","","","","has coordinates","231784","2020-10-21","18:00:00",""
"4346458","46.663","0.009","12.665","0.004","24.882","0.006","90","","102.604","0.005","90","","14351","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H100 B I N6 O2 U -","- C76 H100 B I N6 O2 U -","- C608 H800 B8 I8 N48 O16 U8 -","8","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.2014","0.0926","","","0.1888","0.2247","","","","","","0.968","","","","has coordinates","231785","2020-10-21","18:00:00",""
"4346459","20.681","0.0015","13.7702","0.001","30.849","0.002","90","","91.769","0.004","90","","8781","1.1","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C95 H112 B2 Cl2 N6 O2 U -","- C95 H112 B2 Cl2 N6 O2 U -","- C380 H448 B8 Cl8 N24 O8 U4 -","4","1","","Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim","Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.","Inorganic chemistry","2015","54","18","9115","9126","10.1021/acs.inorgchem.5b01547","","","0.71073","MoKα","","0.2635","0.1469","","","0.3091","0.3498","","","","","","1.033","","","","has coordinates","231785","2020-10-21","18:00:00",""
"4346460","11.8597","0.0005","11.9837","0.0005","20.1438","0.0008","90","","95.59","0.004","90","","2849.3","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Al Li N2 Si2 -","- C22 H50 Al Li N2 Si2 -","- C88 H200 Al4 Li4 N8 Si8 -","4","1","","Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.","Inorganic chemistry","2015","54","22","10695","10700","10.1021/acs.inorgchem.5b01551","","","0.71073","MoKα","","0.0811","0.0687","","","0.1676","0.1745","","","","","","1.155","","","","has coordinates","231786","2020-10-21","18:00:00",""
"4346461","10.2887","0.0005","14.9352","0.0006","11.8613","0.0005","90","","91.278","0.004","90","","1822.2","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C28 H58 Al2 Si4 -","- C28 H57.9999 Al2 Si4 -","- C56 H116 Al4 Si8 -","2","0.5","","Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.","Inorganic chemistry","2015","54","22","10695","10700","10.1021/acs.inorgchem.5b01551","","","0.71073","MoKα","","0.0661","0.0425","","","0.0982","0.11","","","","","","1.009","","","","has coordinates,has disorder","231786","2020-10-21","18:00:00",""
"4346462","10.496","0.0004","14.1896","0.0006","19.4829","0.0008","90","","90","","90","","2901.7","0.2","285.29","0.1","285.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Al O Si2 -","- C28 H41 Al O Si2 -","- C112 H164 Al4 O4 Si8 -","4","1","","Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.","Inorganic chemistry","2015","54","22","10695","10700","10.1021/acs.inorgchem.5b01551","","","0.71073","MoKα","","0.0617","0.0444","","","0.0886","0.0981","","","","","","1.034","","","","has coordinates","231786","2020-10-21","18:00:00",""
"4346463","19.9744","0.0019","24.981","0.002","30.85","0.003","103.733","0.002","104.435","0.002","104.396","0.002","13684","2","173","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C249.75 H326.5 Cl20 Mn16 O70 -","- C199.75 H266.5 Mn16 O60 -","- C399.5 H533 Mn32 O120 -","2","1","","Thuijs, Annaliese E.; King, Philippa; Abboud, Khalil A.; Christou, George","New structural types of Mn16 single-molecule magnets: W-shaped topology from reductive aggregation.","Inorganic chemistry","2015","54","18","9127","9137","10.1021/acs.inorgchem.5b01553","","","0.71073","MoKα","","0.2063","0.0908","","","0.2129","0.242","","","","","","0.78","","","","has coordinates,has disorder","231787","2020-10-21","18:00:00",""
"4346464","13.1","0.003","14.423","0.003","19.361","0.004","105.132","0.005","107.098","0.004","100.648","0.005","3236.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H102 Mn16 N8 O72 -","- C92 H90 Mn16 N4 O64 -","- C92 H90 Mn16 N4 O64 -","1","0.5","","Thuijs, Annaliese E.; King, Philippa; Abboud, Khalil A.; Christou, George","New structural types of Mn16 single-molecule magnets: W-shaped topology from reductive aggregation.","Inorganic chemistry","2015","54","18","9127","9137","10.1021/acs.inorgchem.5b01553","","","0.71073","MoKα","","0.1578","0.0581","","","0.116","0.1356","","","","","","0.765","","","","has coordinates,has disorder","231787","2020-10-21","18:00:00",""
"4346465","21.721","0.006","22.37","0.006","16.448","0.004","90","","90","","90","","7992","4","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H48 O12 Pd6 S12 -","- C48 H48 O12 Pd6 S12 -","- C192 H192 O48 Pd24 S48 -","4","1","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0339","0.031","","","0.0852","0.0871","","","","","","1.04","","","","has coordinates","231788","2020-10-21","18:00:00",""
"4346466","16.9591","0.0017","20.351","0.002","8.4374","0.0008","90","","90","","90","","2912","0.5","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C55 H52 Cl6 O4 P2 Pd2 S4 -","- C54.5 H52 Cl6 O4 P2 Pd2 S4 -","- C109 H104 Cl12 O8 P4 Pd4 S8 -","2","0.5","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0201","0.0197","","","0.0489","0.0491","","","","","","1.061","","","","has coordinates,has disorder","231789","2020-10-21","18:00:00",""
"4346467","12.136","0.005","23.488","0.009","24.456","0.01","90","","102.527","0.005","90","","6805","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 O2 P2 Pd S2 -","- C34 H32 Cl2 O2 P2 Pd S2 -","- C272 H256 Cl16 O16 P16 Pd8 S16 -","8","2","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0705","0.0557","","","0.1159","0.1219","","","","","","1.147","","","","has coordinates","231790","2020-10-21","18:00:00",""
"4346468","15.232","0.005","21.963","0.007","22.47","0.007","64.85","0.004","76.688","0.004","76.738","0.004","6547","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Fe O2 P2 Pd S2 -","- C42 H36 Fe O2 P2 Pd S2 -","- C252 H216 Fe6 O12 P12 Pd6 S12 -","6","3","","Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.","Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.","Inorganic chemistry","2015","54","19","9384","9386","10.1021/acs.inorgchem.5b01555","","","0.71073","MoKα","","0.0956","0.0759","","","0.1564","0.1651","","","","","","1.107","","","","has coordinates","231791","2020-10-21","18:00:00",""
"4346469","17.681","0.005","9.394","0.003","10.045","0.003","90","","107.209","0.004","90","","1593.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0576","0.0515","","","0.1672","0.1749","","","","","","1.069","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346470","17.669","0.006","9.423","0.003","10.041","0.004","90","","107.247","0.004","90","","1596.6","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0584","0.0525","","","0.1696","0.1769","","","","","","1.104","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346471","17.678","0.006","9.466","0.003","10.05","0.004","90","","107.276","0.005","90","","1605.9","1","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0604","0.0518","","","0.1643","0.1764","","","","","","1.01","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346472","17.654","0.006","9.493","0.003","10.04","0.004","90","","107.311","0.005","90","","1606.4","1","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0586","0.0522","","","0.1777","0.1873","","","","","","1.084","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346473","17.642","0.007","9.53","0.004","10.036","0.004","90","","107.353","0.005","90","","1610.5","1.1","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0594","0.0519","","","0.1672","0.1764","","","","","","1.079","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346474","17.638","0.003","9.5756","0.0014","10.0491","0.0015","90","","107.37","0.002","90","","1619.8","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0602","0.0525","","","0.1686","0.1795","","","","","","1.074","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346475","17.625","0.002","9.6171","0.0012","10.0462","0.0012","90","","107.402","0.002","90","","1624.9","0.3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0611","0.052","","","0.1638","0.1766","","","","","","1.077","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346476","17.616","0.002","9.6606","0.0013","10.0468","0.0014","90","","107.45","0.002","90","","1631.1","0.4","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0614","0.0517","","","0.1669","0.1815","","","","","","1.065","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346477","17.598","0.005","9.702","0.003","10.04","0.003","90","","107.494","0.004","90","","1634.9","0.8","260","2","260","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.061","0.0515","","","0.155","0.1648","","","","","","1.069","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346478","17.683","0.011","9.394","0.006","10.05","0.006","90","","107.318","0.008","90","","1593.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Li2 N2 O6 -","- C13 H14 Li2 N2 O6 -","- C52 H56 Li8 N8 O24 -","4","0.5","","Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.","Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.","Inorganic chemistry","2015","54","17","8171","8173","10.1021/acs.inorgchem.5b01560","","","0.71073","MoKα","","0.0628","0.055","","","0.1755","0.1841","","","","","","1.082","","","","has coordinates","231792","2020-10-21","18:00:00",""
"4346479","8.8946","0.0004","9.8125","0.0005","12.2507","0.0006","81.742","0.004","71.831","0.004","72.827","0.004","969.05","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H23 Mn2 N2 O17 P2 -","- C8 H23 Mn2 N2 O17 P2 -","- C16 H46 Mn4 N4 O34 P4 -","2","1","","Luan, Lindong; Li, Jing; Chen, Cheng; Lin, Zhien; Huang, Hui","Solvent-free synthesis of crystalline metal phosphate oxalates with a (4,6)-connected fsh topology.","Inorganic chemistry","2015","54","19","9387","9389","10.1021/acs.inorgchem.5b01569","","x-ray","1.54184","CuKα","","0.0874","0.0842","","","0.2191","0.227","","","","","","1.02","","","","has coordinates","231793","2020-10-21","18:00:00",""
"4346480","15.368","0.0004","11.4122","0.0003","22.2812","0.0005","90","","101.847","0.003","90","","3824.5","0.17","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 Mn2 N1.5 O15 P1.5 -","- C9 H19 Mn2 N1.5 O15 P1.5 -","- C72 H152 Mn16 N12 O120 P12 -","8","1","","Luan, Lindong; Li, Jing; Chen, Cheng; Lin, Zhien; Huang, Hui","Solvent-free synthesis of crystalline metal phosphate oxalates with a (4,6)-connected fsh topology.","Inorganic chemistry","2015","54","19","9387","9389","10.1021/acs.inorgchem.5b01569","","x-ray","0.71073","MoKα","","0.0487","0.0411","","","0.1001","0.1061","","","","","","1.04","","","","has coordinates","231794","2020-10-21","18:00:00",""
"4346481","11.79743","0.00016","9.21367","0.00013","30.7165","0.0004","90","","95.8401","0.0011","90","","3321.48","0.08","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl N7 O12 -","- C30 H38 Cl N7 O12 -","- C120 H152 Cl4 N28 O48 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0345","0.0313","","","0.0825","0.0852","","","","","","1.042","","","","has coordinates","231795","2020-10-21","18:00:00",""
"4346482","20.16","0.0005","25.3181","0.0005","14.3227","0.0004","90","","109.936","0.003","90","","6872.4","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 F K N6 O13 -","- C31 H38 F K N6 O13 -","- C248 H304 F8 K8 N48 O104 -","8","2","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.1372","0.1226","","","0.2875","0.3131","","","","","","1.227","","","","has coordinates,has disorder","231796","2020-10-21","18:00:00",""
"4346483","11.79438","0.00014","8.89906","0.0001","32.8978","0.0004","90","","97.811","0.0011","90","","3420.88","0.07","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 I K N6 O12 -","- C30 H34 I K N6 O12 -","- C120 H136 I4 K4 N24 O48 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0337","0.0311","","","0.0819","0.0848","","","","","","1.044","","","","has coordinates","231797","2020-10-21","18:00:00",""
"4346484","8.5947","0.0002","27.2589","0.0018","14.4105","0.0005","90","","91.045","0.003","90","","3375.6","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O6 -","- C16 H26 N2 O6 -","- C128 H208 N16 O48 -","8","2","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0441","0.0392","","","0.0992","0.1043","","","","","","1.055","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4346485","15.01363","0.00016","24.43893","0.00019","20.8333","0.0002","90","","108.748","0.0011","90","","7238.5","0.13","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H80 Cl2 K2 N12 O27 -","- C63 H80 Cl2 K2 N12 O27 -","- C252 H320 Cl8 K8 N48 O108 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0455","0.0403","","","0.1061","0.1106","","","","","","1.018","","","","has coordinates,has disorder","231799","2020-10-21","18:00:00",""
"4346486","11.81208","0.00017","9.17214","0.00014","31.0693","0.0004","90","","96.1586","0.0013","90","","3346.68","0.08","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Br N7 O12 -","- C30 H38 Br N7 O12 -","- C120 H152 Br4 N28 O48 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.031","0.0286","","","0.072","0.0736","","","","","","1.053","","","","has coordinates","231800","2020-10-21","18:00:00",""
"4346487","14.93502","0.00016","24.5596","0.0002","20.95712","0.00019","90","","107.635","0.001","90","","7325.78","0.13","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H80 Br2 K2 N12 O27 -","- C63 H80 Br2 K2 N12 O27 -","- C252 H320 Br8 K8 N48 O108 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0458","0.0393","","","0.0996","0.1043","","","","","","1.026","","","","has coordinates,has disorder","231801","2020-10-21","18:00:00",""
"4346488","11.7776","0.0003","9.0066","0.0002","31.8166","0.001","90","","96.827","0.003","90","","3351.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Br K N6 O12 -","- C30 H34 Br K N6 O12 -","- C120 H136 Br4 K4 N24 O48 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0573","0.0516","","","0.127","0.1307","","","","","","1.119","","","","has coordinates,has disorder","231802","2020-10-21","18:00:00",""
"4346489","17.5359","0.0005","19.7413","0.0009","25.8071","0.0007","106.011","0.003","91.507","0.002","115.298","0.004","7656.3","0.6","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C123 H143 K4 N25 O57 S2 -","- C123 H143 K4 N25 O57 S2 -","- C246 H286 K8 N50 O114 S4 -","2","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.1148","0.0736","","","0.2219","0.2747","","","","","","1.092","","","","has coordinates,has disorder","231803","2020-10-21","18:00:00",""
"4346490","8.06956","0.00013","8.80099","0.00014","26.234","0.0004","90","","96.3681","0.0014","90","","1851.65","0.05","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O10 -","- C16 H22 N2 O10 -","- C64 H88 N8 O40 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0358","0.0321","","","0.0795","0.0819","","","","","","1.028","","","","has coordinates","231804","2020-10-21","18:00:00",""
"4346491","10.28885","0.00014","37.9226","0.0007","21.1223","0.0003","90","","103.074","0.0014","90","","8027.9","0.2","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H90.2 K2 N15 O30.6 -","- C70 H90.2 K2 N15 O30.6 -","- C280 H360.8 K8 N60 O122.4 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0599","0.049","","","0.1253","0.1344","","","","","","1.027","","","","has coordinates,has disorder","231805","2020-10-21","18:00:00",""
"4346492","13.8305","0.0002","13.83565","0.00019","17.9254","0.0003","90","","96.7387","0.0014","90","","3406.4","0.09","123","0.1","123","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30.5 H36 N6 O12.5 -","- C30.5 H36 N6 O12.5 -","- C122 H144 N24 O50 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.1243","0.1195","","","0.3215","0.3246","","","","","","1.164","","","","has coordinates,has disorder","231806","2020-10-21","18:00:00",""
"4346493","20.1842","0.0006","25.001","0.0006","14.7416","0.0004","90","","109.994","0.003","90","","6990.6","0.4","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H37 K N6 O14 -","- C32 H37 K N6 O14 -","- C256 H296 K8 N48 O112 -","8","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0482","0.0383","","","0.0971","0.1044","","","","","","1.03","","","","has coordinates","231807","2020-10-21","18:00:00",""
"4346494","11.80087","0.00019","9.11972","0.00016","31.1833","0.0006","90","","96.2885","0.0016","90","","3335.77","0.1","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N6 O12 Rb -","- C30 H34 Cl N6 O12 Rb -","- C120 H136 Cl4 N24 O48 Rb4 -","4","1","","Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari","Cooperatively enhanced ion pair binding with a hybrid receptor.","Inorganic chemistry","2015","54","18","9154","9165","10.1021/acs.inorgchem.5b01577","","","1.54184","CuKα","","0.0507","0.0463","","","0.1188","0.1219","","","","","","1.083","","","","has coordinates,has disorder","231808","2020-10-21","18:00:00",""
"4346495","14.53","0.003","15.0592","0.0014","29.683","0.006","79.403","0.01","79.779","0.016","64.729","0.01","5737.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H45 La N10 O6 -","- C62 H45 La N10 O6 -","- C248 H180 La4 N40 O24 -","4","2","","Shavaleev, Nail M.; Eliseeva, Svetlana V.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Influence of symmetry on the luminescence and radiative lifetime of nine-coordinate europium complexes.","Inorganic chemistry","2015","54","18","9166","9173","10.1021/acs.inorgchem.5b01580","","","0.71073","MoKα","","0.0738","0.0591","","","0.1151","0.1194","","","","","","1.274","","","","has coordinates,has disorder","231809","2020-10-21","18:00:00",""
"4346496","28.684","0.003","28.684","0.003","8.178","0.0017","90","","90","","120","","5827.2","1.5","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H4 N0 O2 Zn0.5 -","- C7 H4 O2 Zn0.5 -","- C252 H144 O72 Zn18 -","36","1","","Huang, Wei; Jiang, Jun; Wu, Dayu; Xu, Jun; Xue, Bing; Kirillov, Alexander M.","A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers.","Inorganic chemistry","2015","54","22","10524","10526","10.1021/acs.inorgchem.5b01581","","","0.71073","MoKα","","0.0974","0.0949","","","0.2062","0.2075","","","","","","1.133","","","","has coordinates","231810","2020-10-21","18:00:00",""
"4346497","28.7527","0.0018","28.7527","0.0018","8.194","0.0011","90","","90","","120","","5866.6","0.9","250","2","250","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C7 H4 O2 Zn0.5 -","- C7 H4.5 O2 Zn0.5 -","- C252 H162 O72 Zn18 -","36","1","","Huang, Wei; Jiang, Jun; Wu, Dayu; Xu, Jun; Xue, Bing; Kirillov, Alexander M.","A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers.","Inorganic chemistry","2015","54","22","10524","10526","10.1021/acs.inorgchem.5b01581","","","0.71073","MoKα","","0.0847","0.078","","","0.2289","0.244","","","","","","1.275","","","","has coordinates","231810","2020-10-21","18:00:00",""
"4346498","28.7611","0.0018","28.7611","0.0018","8.1675","0.0011","90","","90","","120","","5851","0.9","180","2","180","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C7 H4 O2 Zn0.5 -","- C7.5 H4 O2 Zn0.5 -","- C270 H144 O72 Zn18 -","36","1","","Huang, Wei; Jiang, Jun; Wu, Dayu; Xu, Jun; Xue, Bing; Kirillov, Alexander M.","A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers.","Inorganic chemistry","2015","54","22","10524","10526","10.1021/acs.inorgchem.5b01581","","","0.71073","MoKα","","0.0848","0.0819","","","0.1609","0.1627","","","","","","1.061","","","","has coordinates","231810","2020-10-21","18:00:00",""
"4346499","28.766","0.0019","28.766","0.0019","8.1516","0.0011","90","","90","","120","","5841.6","1","120","2","120","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C7 H4 O2 Zn0.5 -","- C7 H4 O2 Zn0.5 -","- C252 H144 O72 Zn18 -","36","1","","Huang, Wei; Jiang, Jun; Wu, Dayu; Xu, Jun; Xue, Bing; Kirillov, Alexander M.","A Highly Stable Nanotubular MOF Rotator for Selective Adsorption of Benzene and Separation of Xylene Isomers.","Inorganic chemistry","2015","54","22","10524","10526","10.1021/acs.inorgchem.5b01581","","","0.71073","MoKα","","0.082","0.0808","","","0.1736","0.1745","","","","","","1.117","","","","has coordinates","231810","2020-10-21","18:00:00",""
"4346500","15.334","0.006","25.95","0.01","15.975","0.009","90","","113.08","0.004","90","","5848","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","polymeric_DyCu2","{[{Cu(salpn)}2Dy(NO3)3bpy](MeOH)(H2O)}n","","- C45 H46 Cu2 Dy N9 O15 -","- C45 H44 Cu2 Dy N9 O15 -","- C180 H176 Cu8 Dy4 N36 O60 -","4","0.5","","Ida, Yumi; Ghosh, Soumavo; Ghosh, Ashutosh; Nojiri, Hiroyuki; Ishida, Takayuki","Strong ferromagnetic exchange interactions in hinge-like Dy(O2Cu)2 complexes involving double oxygen bridges.","Inorganic chemistry","2015","54","19","9543","9555","10.1021/acs.inorgchem.5b01583","","","0.71073","MoKα","","0.1089","0.0758","","","0.2059","0.2336","","","","","","1.064","","","","has coordinates","231812","2020-10-21","18:00:00",""
"4346501","10.467","0.003","14.653","0.004","15.096","0.004","104.45","0.003","100.006","0.003","99.252","0.003","2156.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","cisoid_DyCu2","[{Cu(salpn)}2Dy(H2O)(NO3)3]MeOH","","- C35 H38 Cu2 Dy N7 O15 -","- C35 H37.5 Cu2 Dy N7 O15 -","- C70 H75 Cu4 Dy2 N14 O30 -","2","1","","Ida, Yumi; Ghosh, Soumavo; Ghosh, Ashutosh; Nojiri, Hiroyuki; Ishida, Takayuki","Strong ferromagnetic exchange interactions in hinge-like Dy(O2Cu)2 complexes involving double oxygen bridges.","Inorganic chemistry","2015","54","19","9543","9555","10.1021/acs.inorgchem.5b01583","","","0.71073","MoKα","","0.098","0.065","","","0.187","0.2245","","","","","","1.051","","","","has coordinates,has disorder","231813","2020-10-21","18:00:00",""
"4346502","17.583","0.005","17.583","0.005","29.716","0.005","90","0.005","90","0.005","90","0.005","9187","4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","transoid_DyCu2","[{(Cu(salpn))Me(CO)Me}2Dy(NO3)3]","","- C40 H44 Cu2 Dy N7 O15 -","- C40 H44 Cu2 Dy N7 O15 -","- C320 H352 Cu16 Dy8 N56 O120 -","8","0.5","","Ida, Yumi; Ghosh, Soumavo; Ghosh, Ashutosh; Nojiri, Hiroyuki; Ishida, Takayuki","Strong ferromagnetic exchange interactions in hinge-like Dy(O2Cu)2 complexes involving double oxygen bridges.","Inorganic chemistry","2015","54","19","9543","9555","10.1021/acs.inorgchem.5b01583","","","0.71073","MoKα","","0.0438","0.0347","","","0.0824","0.089","","","","","","1.058","","","","has coordinates,has disorder","231814","2020-10-21","18:00:00",""
"4346503","13.7203","0.0003","20.5494","0.0003","14.5519","0.0002","90","","110.097","0.002","90","","3853.01","0.12","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H120 Cl N9 Na6 Si10 -","- C42 H120 Cl N9 Na6 Si10 -","- C84 H240 Cl2 N18 Na12 Si20 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0389","0.0319","","","0.0726","0.0761","","","","","","1.023","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346504","13.7374","0.0003","20.605","0.0003","14.5508","0.0003","90","","110.422","0.003","90","","3859.87","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H120 Br N9 Na6 Si10 -","- C42 H120 Br N9 Na6 Si10 -","- C84 H240 Br2 N18 Na12 Si20 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0601","0.0434","","","0.0805","0.087","","","","","","0.992","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346505","13.3266","0.0004","19.8058","0.0005","22.0443","0.0005","87.386","0.002","79.156","0.002","74.411","0.003","5504.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H172 I N13 Na8 Si14 -","- C60 H172 I N13 Na8 Si14 -","- C120 H344 I2 N26 Na16 Si28 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0751","0.0457","","","0.0933","0.1054","","","","","","1.033","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4346506","19.4798","0.0006","31.7695","0.0003","29.0262","0.0004","90","","90","","90","","17963.3","0.6","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C46 H130 I N9 Na6 O2 Si10 -","- C46 H130 I N9 Na6 O2 Si10 -","- C368 H1040 I8 N72 Na48 O16 Si80 -","8","2","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","0.71073","MoKα","","0.0919","0.0533","","","0.1085","0.1198","","","","","","0.989","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4346507","13.3519","0.0003","15.3554","0.0005","15.3294","0.0004","90","","105.646","0.002","90","","3026.44","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H98 I N7 Na4 Si6 -","- C38 H98 I N7 Na4 Si6 -","- C76 H196 I2 N14 Na8 Si12 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","1.54184","CuKα","","0.0564","0.0462","","","0.1106","0.1174","","","","","","1.029","","","","has coordinates","231815","2020-10-21","18:00:00",""
"4346508","15.2873","0.0006","22.3153","0.0006","17.8166","0.0009","90","","113.919","0.005","90","","5556","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H86 I N7 Na4 Si6 -","- C30 H86 I N7 Na4 Si6 -","- C120 H344 I4 N28 Na16 Si24 -","4","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","1.54184","CuKα","","0.0699","0.0535","","","0.1555","0.1694","","","","","","1.042","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4346509","9.0031","0.0002","14.6586","0.0002","20.7632","0.0003","90","","93.652","0.002","90","","2734.61","0.08","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H86 Br N7 Na4 Si6 -","- C30 H86 Br N7 Na4 Si6 -","- C60 H172 Br2 N14 Na8 Si12 -","2","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Synthetic and Structural Studies of Mixed Sodium Bis(trimethylsilyl)amide/Sodium Halide Aggregates in the Presence of η(2)-N,N-, η(3)-N,N,N/N,O,N-, and η(4)-N,N,N,N-Donor Ligands.","Inorganic chemistry","2015","54","20","9833","9844","10.1021/acs.inorgchem.5b01584","","","1.54184","CuKα","","0.0597","0.0509","","","0.1296","0.1418","","","","","","1.072","","","","has coordinates,has disorder","231815","2020-10-21","18:00:00",""
"4346510","13.8975","0.0007","15.0872","0.0007","22.2418","0.001","90","","90","","90","","4663.5","0.4","100","2","100","2","","","","","","","synthesis as described","7","I b c a","-I 2b 2c","73","","","","- C22 H26 F6 Ga N4 O4 P -","- C22 H26 F6 Ga N4 O4 P -","- C176 H208 F48 Ga8 N32 O32 P8 -","8","0.5","","Florián, Jan; McLauchlan, Craig C.; Kissel, Daniel S.; Eichman, Chad C.; Herlinger, Albert W.","Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H2bpcd: Cis/Trans Isomerization Equilibria.","Inorganic chemistry","2015","54","21","10361","10370","10.1021/acs.inorgchem.5b01586","","","0.71073","MoKα","","0.0279","0.0217","","","0.0566","0.0599","","","","","","1.028","","","","has coordinates","231816","2020-10-21","18:00:00",""
"4346511","9.6568","0.001","10.9113","0.0013","17.452","0.002","93.022","0.01","105.926","0.01","90.971","0.009","1764.9","0.4","130","0.2","130","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 B F2 N8 O2 S4 -","- C30 H43 B F2 N8 O2 S4 -","- C60 H86 B2 F4 N16 O4 S8 -","2","1","","Hickey, James L.; James, Janine L.; Henderson, Clare A.; Price, Katherine A.; Mot, Alexandra I.; Buncic, Gojko; Crouch, Peter J.; White, Jonathan M.; White, Anthony R.; Smith, Trevor A.; Donnelly, Paul S.","Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy.","Inorganic chemistry","2015","54","19","9556","9567","10.1021/acs.inorgchem.5b01599","","","1.5418","CuKα","","0.0884","0.0466","","","0.0966","0.1069","","","","","","0.817","","","","has coordinates,has disorder","231817","2020-10-21","18:00:00",""
"4346512","11.0973","0.0017","13.769","0.003","13.847","0.002","114.133","0.017","111.069","0.015","90.039","0.014","1774.5","0.7","130","0.2","130","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H41 B F2 N8 O2 S4 Zn -","- C30 H41 B F2 N8 O2 S4 Zn -","- C60 H82 B2 F4 N16 O4 S8 Zn2 -","2","1","","Hickey, James L.; James, Janine L.; Henderson, Clare A.; Price, Katherine A.; Mot, Alexandra I.; Buncic, Gojko; Crouch, Peter J.; White, Jonathan M.; White, Anthony R.; Smith, Trevor A.; Donnelly, Paul S.","Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy.","Inorganic chemistry","2015","54","19","9556","9567","10.1021/acs.inorgchem.5b01599","","","1.5418","CuKα","","0.2188","0.0499","","","0.0573","0.0802","","","","","","0.544","","","","has coordinates","231818","2020-10-21","18:00:00",""
"4346513","7.1471","0.0007","15.8888","0.0011","17.5263","0.0015","66.87","0.007","80.516","0.008","84.99","0.007","1804.7","0.3","130","0.2","130","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H42 B Cu F2 N10 O2 S2 -","- C32 H42 B Cu F2 N10 O2 S2 -","- C64 H84 B2 Cu2 F4 N20 O4 S4 -","2","1","","Hickey, James L.; James, Janine L.; Henderson, Clare A.; Price, Katherine A.; Mot, Alexandra I.; Buncic, Gojko; Crouch, Peter J.; White, Jonathan M.; White, Anthony R.; Smith, Trevor A.; Donnelly, Paul S.","Intracellular distribution of fluorescent copper and zinc bis(thiosemicarbazonato) complexes measured with fluorescence lifetime spectroscopy.","Inorganic chemistry","2015","54","19","9556","9567","10.1021/acs.inorgchem.5b01599","","","1.5418","CuKα","","0.1332","0.0508","","","0.0895","0.1007","","","","","","0.683","","","","has coordinates","231819","2020-10-21","18:00:00",""
"4346514","13.5454","0.0009","24.4305","0.0007","10.4068","0.0004","90","","109.385","0.008","90","","3248.6","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H44 Fe2 N8 Ru -","- C68 H44 Fe2 N8 Ru -","- C136 H88 Fe4 N16 Ru2 -","2","0.5","","Nemykin, Victor N.; Dudkin, Semyon V.; Fathi-Rasekh, Mahtab; Spaeth, Andrew D.; Rhoda, Hannah M.; Belosludov, Rodion V.; Barybin, Mikhail V.","Probing Electronic Communications in Heterotrinuclear Fe-Ru-Fe Molecular Wires Formed by Ruthenium(II) Tetraphenylporphyrin and Isocyanoferrocene or 1,1'-Diisocyanoferrocene Ligands.","Inorganic chemistry","2015","54","22","10711","10724","10.1021/acs.inorgchem.5b01614","","","0.71075","MoKα","","0.1084","0.0619","","0.1608","0.1376","0.1608","","","","","","0.9007","","","","has coordinates","231820","2020-10-21","18:00:00",""
"4346515","10.829","0.0005","20.1674","0.0009","12.3027","0.0008","90","","112.48","0.008","90","","2482.7","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H46 Fe2 N6 Ru -","- C66 H46 Fe2 N6 Ru -","- C132 H92 Fe4 N12 Ru2 -","2","0.5","","Nemykin, Victor N.; Dudkin, Semyon V.; Fathi-Rasekh, Mahtab; Spaeth, Andrew D.; Rhoda, Hannah M.; Belosludov, Rodion V.; Barybin, Mikhail V.","Probing Electronic Communications in Heterotrinuclear Fe-Ru-Fe Molecular Wires Formed by Ruthenium(II) Tetraphenylporphyrin and Isocyanoferrocene or 1,1'-Diisocyanoferrocene Ligands.","Inorganic chemistry","2015","54","22","10711","10724","10.1021/acs.inorgchem.5b01614","","","0.71075","MoKα","","0.097","0.0591","","0.128","0.0993","0.128","","","","","","0.959","","","","has coordinates","231820","2020-10-21","18:00:00",""
"4346516","14.2044","0.0002","13.7387","0.0002","14.6444","0.0003","90","","104.621","0.001","90","","2765.31","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Eu N4 O10 -","- C23 H29 Eu N4 O10 -","- C92 H116 Eu4 N16 O40 -","4","1","","Zhao, Dian; Rao, Xingtang; Yu, Jiancan; Cui, Yuanjing; Yang, Yu; Qian, Guodong","Design and Synthesis of an MOF Thermometer with High Sensitivity in the Physiological Temperature Range.","Inorganic chemistry","2015","54","23","11193","11199","10.1021/acs.inorgchem.5b01623","","","0.71073","MoKα","","0.0259","0.0221","","","0.0586","0.061","","","","","","1.036","","","","has coordinates","231821","2020-10-21","18:00:00",""
"4346517","14.964","0.0017","13.5109","0.0015","18.387","0.002","90","","99.9712","0.0019","90","","3661.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 B11 Cl11 In -","- C22 H25 B11 Cl11 In -","- C88 H100 B44 Cl44 In4 -","4","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.0374","0.0328","","","0.0843","0.0878","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4346518","10.0115","0.0016","20.33","0.003","28.62","0.005","105.914","0.0017","94.6438","0.0017","90.319","0.002","5581.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.62 H33.69 B44 Br5.94 Cl44 In4 -","- C39.622 H33.685 B44 Br5.937 Cl44 In4 -","- C79.244 H67.37 B88 Br11.874 Cl88 In8 -","2","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.1083","0.0874","","","0.2441","0.256","","","","","","1.007","","","","has coordinates,has disorder","231822","2020-10-21","18:00:00",""
"4346519","10.578","0.002","12.099","0.003","17.099","0.004","87.879","0.003","86.955","0.003","76.496","0.004","2124.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 B11 Cl11 N2 -","- C28 H38 B11 Cl11 N2 -","- C56 H76 B22 Cl22 N4 -","2","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.1086","0.0671","","","0.19","0.2216","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346520","18.0266","0.0014","32.407","0.002","13.27","0.001","90","","90","","90","","7752.2","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H84 B11 Cl11 F2 N4 -","- C67 H84 B11 Cl11 F2 N4 -","- C268 H336 B44 Cl44 F8 N16 -","4","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.076","0.045","","","0.084","0.095","","","","","","0.99","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4346521","12.0234","0.0009","13.6914","0.001","14.0875","0.001","92.3625","0.0014","109.819","0.0013","101.026","0.0013","2127.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30.5 B11 Cl11 F0.5 In P -","- C30 H30.5 B11 Cl11 F0.5 In P -","- C60 H61 B22 Cl22 F In2 P2 -","2","1","","Osman, Khalid M.; Powell, Douglas R.; Wehmschulte, Rudolf J.","Synthesis and reactivity of indium(I) 1-carba-closo-undecachlorododecaborate.","Inorganic chemistry","2015","54","18","9195","9200","10.1021/acs.inorgchem.5b01629","","","0.71073","MoKα","","0.0284","0.0234","","","0.0559","0.0586","","","","","","1.025","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4346522","11.442","0.0002","19.773","0.0004","17.4838","0.0004","90","","94.476","0.001","90","","3943.52","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1_VL","","","- C39 H60 N4 P3 V -","- C39 H60 N4 P3 V -","- C156 H240 N16 P12 V4 -","4","1","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","1.54178","CuKα","","0.0325","0.0297","","","0.0742","0.0759","","","","","","1.046","","","","has coordinates","231823","2020-10-21","18:00:00",""
"4346523","11.2034","0.0004","14.1739","0.0006","14.3424","0.0006","70.92","","80.58","","82.81","","2117.09","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2_FeVL","","","- C42.5 H64 Fe N4 P3 V -","- C42.5 H64 Fe N4 P3 V -","- C85 H128 Fe2 N8 P6 V2 -","2","1","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","0.71073","MoKα","","0.0526","0.0359","","","0.0791","0.0892","","","","","","1.013","","","","has coordinates,has disorder","231823","2020-10-21","18:00:00",""
"4346524","17.3253","0.0004","14.367","0.0004","26.5458","0.0006","90","","101.115","0.001","90","","6483.6","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2ox_[FeVL][BPh4]","","","- C67 H88 B Fe N4 O P3 V -","- C67 H88 B Fe N4 O P3 V -","- C268 H352 B4 Fe4 N16 O4 P12 V4 -","4","1","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","1.54178","CuKα","","0.0683","0.0475","","","0.1135","0.1215","","","","","","1.063","","","","has coordinates,has disorder","231823","2020-10-21","18:00:00",""
"4346525","11.1828","0.0006","14.1917","0.0007","14.3156","0.0007","70.779","0.001","80.653","0.001","82.74","0.001","2110.31","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","3_CoVL","","","- C42.5 H64 Co N4 P3 V -","- C42.5 H64 Co N4 P3 V -","- C85 H128 Co2 N8 P6 V2 -","2","1","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","0.71073","MoKα","","0.0579","0.0377","","","0.0818","0.0927","","","","","","1.024","","","","has coordinates,has disorder","231823","2020-10-21","18:00:00",""
"4346526","17.3813","0.0005","14.3313","0.0004","26.5204","0.0007","90","","100.631","0.0015","90","","6492.8","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3ox_[CoVL][BPh4]","","","- C71 H96 B Co N4 O2 P3 V -","- C71 H96 B Co N4 O2 P3 V -","- C284 H384 B4 Co4 N16 O8 P12 V4 -","4","1","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","1.54178","CuKα","","0.1138","0.0748","","","0.179","0.2077","","","","","","1.036","","","","has coordinates","231823","2020-10-21","18:00:00",""
"4346527","10.875","0.003","10.875","0.003","21.431","0.006","90","","90","","120","","2195","1.1","173","2","173","2","","","","","","","","6","P -3","-P 3","147","4_NiVL","","","- C45 H66 N4 Ni P3 V -","- C45 H66 N4 Ni P3 V -","- C90 H132 N8 Ni2 P6 V2 -","2","0.333333","","Clouston, Laura J.; Bernales, Varinia; Cammarota, Ryan C.; Carlson, Rebecca K.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel.","Inorganic chemistry","2015","54","24","11669","11679","10.1021/acs.inorgchem.5b01631","","","0.71073","MoKα","","0.0804","0.0546","","","0.1319","0.1432","","","","","","1.057","","","","has coordinates","231823","2020-10-21","18:00:00",""
"4346528","8.1318","0.0007","10.166","0.0008","11.3277","0.001","101.291","0.003","93.118","0.003","96.85","0.003","908.85","0.13","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ca2 O11 P3 -","- C12 H18 Ca2 O11 P3 -","- C24 H36 Ca4 O22 P6 -","2","1","","Shi, Fa-Nian; Almeida, José C; Helguero, Luisa A.; Fernandes, Maria H. V.; Knowles, Jonathan C.; Rocha, João","Calcium Phosphonate Frameworks for Treating Bone Tissue Disorders.","Inorganic chemistry","2015","54","20","9929","9935","10.1021/acs.inorgchem.5b01634","","","0.71073","MoKα","","0.0746","0.0446","","","0.0792","0.0891","","","","","","1.031","","","","has coordinates","231824","2020-10-21","18:00:00",""
"4346529","22.6399","0.0006","7.0842","0.0002","9.1112","0.0003","90","","103.858","0.002","90","","1418.77","0.07","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Ca O9 P2 -","- C8 H16 Ca O9 P2 -","- C32 H64 Ca4 O36 P8 -","4","0.5","","Shi, Fa-Nian; Almeida, José C; Helguero, Luisa A.; Fernandes, Maria H. V.; Knowles, Jonathan C.; Rocha, João","Calcium Phosphonate Frameworks for Treating Bone Tissue Disorders.","Inorganic chemistry","2015","54","20","9929","9935","10.1021/acs.inorgchem.5b01634","","","0.71073","MoKα","","0.0604","0.04","","","0.0882","0.0984","","","","","","1.07","","","","has coordinates","231825","2020-10-21","18:00:00",""
"4346530","15.2296","0.0003","18.0203","0.0004","21.9241","0.0006","90","","90","","90","","6016.9","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H95 Fe N4 Na O3 Si4 -","- C51 H95 Fe N4 Na O3 Si4 -","- C204 H380 Fe4 N16 Na4 O12 Si16 -","4","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.7107","MoKα","","0.0827","0.0567","","","0.0971","0.1093","","","","","","1.053","","","","has coordinates","231826","2020-10-21","18:00:00",""
"4346531","13.5831","0.0003","16.1634","0.0004","21.244","0.0006","90","","90.268","0.003","90","","4664","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 Fe N4 Si4 -","- C40 H74 Fe N4 Si4 -","- C160 H296 Fe4 N16 Si16 -","4","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","1.5418","CuKα","","0.0608","0.0476","","","0.1191","0.1283","","","","","","1.017","","","","has coordinates,has disorder","231826","2020-10-21","18:00:00",""
"4346532","20.763","0.003","21.1154","0.0019","22.8","0.006","90","","122.634","0.013","90","","8418","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H126 Fe N7 Na Si6 -","- C72 H126 Fe N7 Na Si6 -","- C288 H504 Fe4 N28 Na4 Si24 -","4","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.7107","MoKα","","0.1543","0.0761","","","0.1371","0.1748","","","","","","0.994","","","","has coordinates,has disorder","231826","2020-10-21","18:00:00",""
"4346533","8.7352","0.0004","19.0049","0.0007","20.675","0.0009","90","","105.66","0.004","90","","3304.9","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 Fe N3 Na Si6 -","- C18 H54 Fe N3 Na Si6 -","- C72 H216 Fe4 N12 Na4 Si24 -","4","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.71073","MoKα","","0.0575","0.0456","","","0.11","0.1142","","","","","","0.887","","","","has coordinates","231826","2020-10-21","18:00:00",""
"4346534","10.1531","0.0005","11.8733","0.0005","12.0556","0.0005","96.895","0.004","100.584","0.004","92.769","0.004","1414.56","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Fe N2 Na Si5 -","- C16 H47 Fe N2 Na Si5 -","- C32 H94 Fe2 N4 Na2 Si10 -","2","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.71073","MoKα","","0.046","0.0348","","","0.0782","0.0842","","","","","","1.026","","","","has coordinates","231826","2020-10-21","18:00:00",""
"4346535","10.5144","0.0005","17.5343","0.0009","18.5349","0.0008","90.401","0.004","96.397","0.004","100.632","0.004","3336.2","0.3","123.1","","123.1","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H107 Fe N4 Na O3 Si5 -","- C55 H107 Fe N4 Na O3 Si5 -","- C110 H214 Fe2 N8 Na2 O6 Si10 -","2","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.71073","MoKα","","0.0931","0.0571","","","0.1274","0.1533","","","","","","1.04","","","","has coordinates,has disorder","231826","2020-10-21","18:00:00",""
"4346536","16.787","0.0002","13.55","0.0002","16.965","0.0003","90","","111.802","0.001","90","","3582.91","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C37 H35 Cl F6 N P3 Pt -","- C37 H35 Cl F6 N P3 Pt -","- C148 H140 Cl4 F24 N4 P12 Pt4 -","4","1","","Villarreal, Wilmer; Colina-Vegas, Legna; Rodrigues de Oliveira, Clayton; Tenorio, Juan C.; Ellena, Javier; Gozzo, Fábio C; Cominetti, Marcia Regina; Ferreira, Antonio G.; Ferreira, Marco Antonio Barbosa; Navarro, Maribel; Batista, Alzir A.","Chiral Platinum(II) Complexes Featuring Phosphine and Chloroquine Ligands as Cytotoxic and Monofunctional DNA-Binding Agents.","Inorganic chemistry","2015","54","24","11709","11720","10.1021/acs.inorgchem.5b01647","","x-ray","0.71073","MoKα","","0.0623","0.049","","","0.1345","0.1426","","","","","","1.099","","","","has coordinates,has disorder","231827","2020-10-21","18:00:00",""
"4346537","16.955","0.0002","13.702","0.0002","16.972","0.0003","90","","110.85","0.001","90","","3684.69","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl F6 N P3 Pt -","- C37 H35 Cl F6 N P3 Pt -","- C148 H140 Cl4 F24 N4 P12 Pt4 -","4","1","","Villarreal, Wilmer; Colina-Vegas, Legna; Rodrigues de Oliveira, Clayton; Tenorio, Juan C.; Ellena, Javier; Gozzo, Fábio C; Cominetti, Marcia Regina; Ferreira, Antonio G.; Ferreira, Marco Antonio Barbosa; Navarro, Maribel; Batista, Alzir A.","Chiral Platinum(II) Complexes Featuring Phosphine and Chloroquine Ligands as Cytotoxic and Monofunctional DNA-Binding Agents.","Inorganic chemistry","2015","54","24","11709","11720","10.1021/acs.inorgchem.5b01647","","x-ray","0.71073","MoKα","","0.0517","0.0398","","","0.0998","0.105","","","","","","1.116","","","","has coordinates,has disorder","231828","2020-10-21","18:00:00",""
"4346538","11.662","0.003","11.82","0.003","16.928","0.005","90","","90","","90","","2333.4","1.1","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Co N10 O2 -","- C24 H20 Co N10 O2 -","- C96 H80 Co4 N40 O8 -","4","0.5","","Liu, Xiangyu; Sun, Lin; Zhou, Huiliang; Cen, Peipei; Jin, Xiaoyong; Xie, Gang; Chen, Sanping; Hu, Qilin","Single-ion-magnet behavior in a two-dimensional coordination polymer constructed from Co(II) nodes and a pyridylhydrazone derivative.","Inorganic chemistry","2015","54","18","8884","8886","10.1021/acs.inorgchem.5b01651","","","0.71073","MoKα","","0.0667","0.037","","","0.0866","0.1007","","","","","","1.014","","","","has coordinates","231829","2020-10-21","18:00:00",""
"4346539","16.2752","0.0005","16.2752","0.0005","17.4231","0.0004","90","","90","","90","","4615.1","0.2","300","2","300","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C144 H224 Mn8 N80 -","8","1","","Bermúdez-García, Juan M; Sánchez-Andújar, Manuel; Yáñez-Vilar, Susana; Castro-García, Socorro; Artiaga, Ramón; López-Beceiro, Jorge; Botana, Luis; Alegría, Ángel; Señarís-Rodríguez, María A","Role of Temperature and Pressure on the Multisensitive Multiferroic Dicyanamide Framework [TPrA][Mn(dca)3] with Perovskite-like Structure.","Inorganic chemistry","2015","54","24","11680","11687","10.1021/acs.inorgchem.5b01652","","","0.71073","MoKα","","0.0533","0.0401","","","0.0958","0.1052","","","","","","1.024","","","","has coordinates,has disorder","231830","2020-10-21","18:00:00",""
"4346540","11.5684","0.0003","11.5684","0.0003","17.65","0.0005","90","","90","","90","","2362.06","0.11","368","2","368","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C18 H28 Mn N10 -","- C18 H28 Mn N10 -","- C72 H112 Mn4 N40 -","4","0.125","","Bermúdez-García, Juan M; Sánchez-Andújar, Manuel; Yáñez-Vilar, Susana; Castro-García, Socorro; Artiaga, Ramón; López-Beceiro, Jorge; Botana, Luis; Alegría, Ángel; Señarís-Rodríguez, María A","Role of Temperature and Pressure on the Multisensitive Multiferroic Dicyanamide Framework [TPrA][Mn(dca)3] with Perovskite-like Structure.","Inorganic chemistry","2015","54","24","11680","11687","10.1021/acs.inorgchem.5b01652","","","0.71073","MoKα","","0.074","0.0653","","","0.1585","0.1774","","","","","","1.097","","","","has coordinates,has disorder","231831","2020-10-21","18:00:00",""
"4346541","19.0125","0.0003","7.6921","0.0001","19.6958","0.0004","90","","114.137","0.002","90","","2628.6","0.09","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl N3 O P Pt -","- C30 H27 Cl N3 O P Pt -","- C120 H108 Cl4 N12 O4 P4 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta","Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.","Inorganic chemistry","2015","54","20","9885","9895","10.1021/acs.inorgchem.5b01655","","","0.71073","MoKα","","0.0294","0.0246","","","0.0548","0.0566","","","","","","1.037","","","","has coordinates","231832","2020-10-21","18:00:00",""
"4346542","11.2215","0.0002","9.4075","0.0002","30.6267","0.0007","90","","90.639","0.002","90","","3232.95","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 F6 N4 O P2 Pt -","- C34 H30 F6 N4 O P2 Pt -","- C136 H120 F24 N16 O4 P8 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta","Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.","Inorganic chemistry","2015","54","20","9885","9895","10.1021/acs.inorgchem.5b01655","","","0.71073","MoKα","","0.0358","0.03","","","0.0654","0.068","","","","","","1.047","","","","has coordinates,has disorder","231832","2020-10-21","18:00:00",""
"4346543","14.8874","0.0001","14.5664","0.0001","18.5904","0.0002","90","","91.617","0.001","90","","4029.83","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 F6 N4 O0.5 P2 Pt -","- C40 H37 F6 N4 O0.5 P2 Pt -","- C160 H148 F24 N16 O2 P8 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta","Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.","Inorganic chemistry","2015","54","20","9885","9895","10.1021/acs.inorgchem.5b01655","","","0.71073","MoKα","","0.0443","0.0371","","","0.0979","0.1024","","","","","","1.025","","","","has coordinates","231832","2020-10-21","18:00:00",""
"4346544","20.129","0.005","10.058","0.005","16.558","0.005","90","0.005","98.479","0.005","90","0.005","3316","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 F6 N5 P2 Pt S -","- C33 H29 F6 N5 P2 Pt S -","- C132 H116 F24 N20 P8 Pt4 S4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta","Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.","Inorganic chemistry","2015","54","20","9885","9895","10.1021/acs.inorgchem.5b01655","","","0.71073","MoKα","","0.0309","0.024","","","0.0487","0.0513","","","","","","1.012","","","","has coordinates","231832","2020-10-21","18:00:00",""
"4346545","10.45","0.005","13.925","0.005","14.213","0.005","100.47","0.005","108.302","0.005","96.727","0.005","1897","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 F6 N3 P3 Pt -","- C38 H34 Cl2 F6 N3 P3 Pt -","- C76 H68 Cl4 F12 N6 P6 Pt2 -","2","1","","Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta","Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.","Inorganic chemistry","2015","54","20","9885","9895","10.1021/acs.inorgchem.5b01655","","","0.71069","MoKα","","0.0422","0.0383","","","0.095","0.0972","","","","","","1.04","","","","has coordinates,has disorder","231832","2020-10-21","18:00:00",""
"4346552","12.25","0.0008","10.8215","0.0007","19.3331","0.0012","90","","90.166","0.003","90","","2562.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[DMPyr][TMS-Se], 5","N,N-Dimethylpyrrolidinium-trimethylsilylselenolate","","- C9 H23 N Se Si -","- C9 H23 N Se Si -","- C72 H184 N8 Se8 Si8 -","8","2","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.036","0.0306","","","0.0674","0.0692","","","","","","1.117","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4346553","7.6236","0.0011","7.6281","0.0011","13.2227","0.0018","90","","104.094","0.004","90","","745.8","0.18","110","2","110","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe4][TMS-S], 6","Tetramethylammonium-trimethylsilylthiolate aceonitrile solvate","","- C9 H24 N2 S Si -","- C9 H24 N2 S Si -","- C18 H48 N4 S2 Si2 -","2","0.5","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.1308","0.0784","","","0.1331","0.1505","","","","","","1.1","","","","has coordinates","231834","2020-10-21","18:00:00",""
"4346554","13.9975","0.001","12.2771","0.0009","12.6705","0.0008","90","","115.568","0.002","90","","1964.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[DMPyr]2S6, 11","Bis(dimethylpyrrolidinium)-hexasulphide","","- C12 H28 N2 S6 -","- C12 H28 N2 S6 -","- C48 H112 N8 S24 -","4","1","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.0894","0.0551","","","0.1147","0.1275","","","","","","1.035","","","","has coordinates,has disorder","231834","2020-10-21","18:00:00",""
"4346555","14.0988","0.0008","24.8538","0.0012","14.4105","0.0008","90","","116.435","0.002","90","","4521.6","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","[BMPyr]2S3","Bis(N-butyl-N-methylpyrrolidinium)-triselenide","","- C36 H80 N4 Se6 -","- C36 H80 N4 Se6 -","- C144 H320 N16 Se24 -","4","1","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.091","0.0616","","","0.1009","0.1114","","","","","","1.145","","","","has coordinates,has disorder","231834","2020-10-21","18:00:00",""
"4346556","9.5497","0.0007","18.7183","0.0014","13.2276","0.001","90","","107.817","0.002","90","","2251.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[DMPyr]4Te12","Tetra(dimethylpyrrolidinium)-dodecatelluride","","- C24 H56 N4 Te12 -","- C24 H56 N4 Te12 -","- C48 H112 N8 Te24 -","2","0.5","","Finger, Lars H.; Scheibe, Benjamin; Sundermeyer, Jörg","Synthesis of organic (trimethylsilyl)chalcogenolate salts Cat[TMS-E] (E = S, Se, Te): the methylcarbonate anion as a desilylating agent.","Inorganic chemistry","2015","54","19","9568","9575","10.1021/acs.inorgchem.5b01665","","","0.71073","MoKα","","0.03","0.028","","","0.0624","0.063","","","","","","1.291","","","","has coordinates","231834","2020-10-21","18:00:00",""
"4346557","10.7431","0.0011","10.4863","0.001","16.0766","0.0018","90","","95.271","0.005","90","","1803.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Mn N4 O6 -","- C16 H20.002 Mn N4 O6.001 -","- C64 H80.008 Mn4 N16 O24.004 -","4","1","","Forgács, Attila; Regueiro-Figueroa, Martín; Barriada, José Luis; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Botta, Mauro; Platas-Iglesias, Carlos","Mono-, bi-, and trinuclear bis-hydrated Mn(2+) complexes as potential MRI contrast agents.","Inorganic chemistry","2015","54","19","9576","9587","10.1021/acs.inorgchem.5b01677","","x-ray","0.71073","MoKα","","0.0348","0.0306","","","0.0819","0.0847","","","","","","1.045","","","","has coordinates,has disorder","231835","2020-10-21","18:00:00",""
"4346558","11.8067","0.0005","16.9713","0.0007","17.1459","0.0007","90","","100.324","0.002","90","","3380","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 F N5 O3 Ti -","- C35 H48 F N5 O3 Ti -","- C140 H192 F4 N20 O12 Ti4 -","4","1","","Boreen, Michael A.; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rearrangement in a tripodal nitroxide ligand to modulate the reactivity of a Ti-F bond.","Inorganic chemistry","2015","54","19","9588","9593","10.1021/acs.inorgchem.5b01687","","","1.54178","CuKα","","0.044","0.0369","","","0.0919","0.0964","","","","","","1.042","","","","has coordinates","231836","2020-10-21","18:00:00",""
"4346559","12.5613","0.0005","15.1062","0.0005","22.4107","0.0008","90","","100.378","0.002","90","","4182.9","0.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl7 N4 O3 Ti -","- C36 H51 Cl7 N4 O3 Ti -","- C144 H204 Cl28 N16 O12 Ti4 -","4","1","","Boreen, Michael A.; Bogart, Justin A.; Carroll, Patrick J.; Schelter, Eric J.","Rearrangement in a tripodal nitroxide ligand to modulate the reactivity of a Ti-F bond.","Inorganic chemistry","2015","54","19","9588","9593","10.1021/acs.inorgchem.5b01687","","","0.71073","MoKα","","0.0511","0.0417","","","0.1053","0.1158","","","","","","1.058","","","","has coordinates,has disorder","231837","2020-10-21","18:00:00",""
"4346560","6.7204","0.0016","10.01","0.002","13.421","0.003","98.322","0.018","98.896","0.019","101.067","0.019","861.1","0.3","130","0.2","130","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br N4 O5 Re -","- C15 H10 Br N4 O5 Re -","- C30 H20 Br2 N8 O10 Re2 -","2","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0534","0.043","","","0.106","0.1123","","","","","","1.037","","","","has coordinates","231838","2020-10-21","18:00:00",""
"4346561","7.0457","0.0004","7.2712","0.0005","16.6373","0.0006","77.386","0.005","88.36","0.005","86.942","0.005","830.46","0.08","130","0.2","130","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br N4 O5 Re -","- C15 H10 Br N4 O5 Re -","- C30 H20 Br2 N8 O10 Re2 -","2","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0525","0.0418","","","0.1018","0.1075","","","","","","1.121","","","","has coordinates","231839","2020-10-21","18:00:00",""
"4346562","16.4614","0.0002","7.7517","0.0001","16.0826","0.0002","90","","91.493","0.001","90","","2051.5","0.04","130","0.2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N5 O5 Re -","- C21 H16 N5 O5 Re -","- C84 H64 N20 O20 Re4 -","4","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0387","0.0333","","","0.0923","0.0944","","","","","","1.049","","","","has coordinates","231840","2020-10-21","18:00:00",""
"4346563","17.3618","0.0002","10.6873","0.0001","9.4302","0.0001","90","","92.241","0.001","90","","1748.44","0.03","130","0.2","130","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br N3 O4 Re -","- C16 H13 Br N3 O4 Re -","- C64 H52 Br4 N12 O16 Re4 -","4","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0442","0.0379","","","0.0997","0.1027","","","","","","1.035","","","","has coordinates","231841","2020-10-21","18:00:00",""
"4346564","4.5731","0.0003","10.1399","0.0005","11.9298","0.0006","84.316","0.004","89.36","0.004","87.516","0.004","549.94","0.05","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C24 H20 N8 O4 -","2","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0583","0.041","","","0.1076","0.1132","","","","","","1.042","","","","has coordinates","231842","2020-10-21","18:00:00",""
"4346565","6.6211","0.0008","9.0414","0.0011","13.712","0.0016","78.333","0.002","80.9","0.002","81.019","0.002","787.21","0.16","130","0.2","130","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Br N3 O3 Re -","- C15 H11 Br N3 O3 Re -","- C30 H22 Br2 N6 O6 Re2 -","2","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","0.71073","MoKα","","0.0491","0.0468","","","0.121","0.1226","","","","","","1.049","","","","has coordinates","231845","2020-10-21","18:00:00",""
"4346566","9.687","0.0003","11.9283","0.0003","17.5604","0.0005","82.24","0.002","78.321","0.002","83.106","0.002","1959.88","0.1","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 B N6 O5 Re -","- C45 H40 B N6 O5 Re -","- C90 H80 B2 N12 O10 Re2 -","2","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","0.7107","MoKα","","0.0284","0.025","","","0.0572","0.0585","","","","","","1.027","","","","has coordinates","231847","2020-10-21","18:00:00",""
"4346567","8.05","0.002","15.143","0.004","32.934","0.008","90","","90","","90","","4014.7","1.8","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N5 O5 Re -","- C20 H14 N5 O5 Re -","- C160 H112 N40 O40 Re8 -","8","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","0.71073","MoKα","","0.0381","0.0347","","","0.0867","0.0885","","","","","","1.097","","","","has coordinates","231848","2020-10-21","18:00:00",""
"4346568","23.9942","0.0008","5.5373","0.0002","16.7262","0.0006","90","","97.034","0.003","90","","2205.57","0.13","130","0.2","130","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C96 H80 N32 O16 -","8","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0761","0.0428","","","0.0997","0.1064","","","","","","0.974","","","","has coordinates","231849","2020-10-21","18:00:00",""
"4346569","18.1762","0.0003","9.219","0.0001","14.1755","0.0002","90","","99.434","0.002","90","","2343.21","0.06","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N6 O5 Re -","- C23 H19 N6 O5 Re -","- C92 H76 N24 O20 Re4 -","4","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0321","0.0273","","","0.0657","0.0673","","","","","","1.021","","","","has coordinates","231850","2020-10-21","18:00:00",""
"4346570","11.9995","0.0001","22.9282","0.0002","14.5884","0.0001","90","","95.658","0.001","90","","3994.11","0.06","130","0.2","130","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 B N5 O6 Re -","- C45 H39 B N5 O6 Re -","- C180 H156 B4 N20 O24 Re4 -","4","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","1.5418","CuKα","","0.0612","0.0376","","","0.0778","0.0819","","","","","","0.883","","","","has coordinates","231851","2020-10-21","18:00:00",""
"4346571","27.8478","0.0013","9.861","0.0005","20.2588","0.001","90","","130.012","0.0016","90","","4260.9","0.4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C48 H44 Cl F3 N6 O3 Pd S -","- C48 H44 Cl F3 N6 O3 Pd S -","- C192 H176 Cl4 F12 N24 O12 Pd4 S4 -","4","1","","Therrien, Jeffrey A.; Wolf, Michael O.; Patrick, Brian O.","Polyannulated Bis(N-heterocyclic carbene)palladium Pincer Complexes for Electrocatalytic CO2 Reduction.","Inorganic chemistry","2015","54","24","11721","11732","10.1021/acs.inorgchem.5b01698","","x-ray","0.71073","MoKα","","0.035","0.0311","","","0.0754","0.0776","","","","","","1.027","","","","has coordinates,has disorder","231852","2020-10-21","18:00:00",""
"4346572","10.7642","0.0003","14.3103","0.0004","10.9061","0.0003","90","","110.452","0.001","90","","1574.07","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N14 O16 U2 -","- C16 H22 N14 O16 U2 -","- C32 H44 N28 O32 U4 -","2","0.5","","Kelley, Steven P.; Rogers, Robin D.","Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.","Inorganic chemistry","2015","54","21","10323","10334","10.1021/acs.inorgchem.5b01699","","","0.71073","MoKα","","0.0262","0.0192","","","0.042","0.0443","","","","","","0.967","","","","has coordinates","231853","2020-10-21","18:00:00",""
"4346573","9.6612","0.0005","16.9016","0.0007","12.2183","0.0005","90","","105.331","0.003","90","","1924.13","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 N6 O8 U -","- C11 H20 N6 O8 U -","- C44 H80 N24 O32 U4 -","4","1","","Kelley, Steven P.; Rogers, Robin D.","Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.","Inorganic chemistry","2015","54","21","10323","10334","10.1021/acs.inorgchem.5b01699","","","0.71073","MoKα","","0.0878","0.0431","","","0.0977","0.1128","","","","","","0.991","","","","has coordinates","231853","2020-10-21","18:00:00",""
"4346574","10.0087","0.0008","10.6432","0.0008","12.4241","0.001","102.123","0.005","96.577","0.006","103.46","0.005","1239.69","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N7 O9 U2 -","- C17 H21 N7 O9 U2 -","- C34 H42 N14 O18 U4 -","2","1","","Kelley, Steven P.; Rogers, Robin D.","Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.","Inorganic chemistry","2015","54","21","10323","10334","10.1021/acs.inorgchem.5b01699","","","0.71073","MoKα","","0.0692","0.0337","","","0.0587","0.0731","","","","","","1.014","","","","has coordinates","276345","2022-06-28","16:22:55",""
"4346575","7.9627","0.0002","10.9246","0.0003","10.912","0.0003","90","","90.037","0.001","90","","949.23","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 N6 O18 S2 U2 -","- C4 H14 N6 O18 S2 U2 -","- C8 H28 N12 O36 S4 U4 -","2","0.5","","Kelley, Steven P.; Rogers, Robin D.","Isolation of Uranyl Dicyanamide Complexes from N-Donor Ionic Liquids.","Inorganic chemistry","2015","54","21","10323","10334","10.1021/acs.inorgchem.5b01699","","","0.71073","MoKα","","0.0239","0.0202","","","0.0409","0.0417","","","","","","1.2","","","","has coordinates","231853","2020-10-21","18:00:00",""
"4346576","20.3059","0.0013","12.0325","0.0005","27.9854","0.0017","90","","103.759","0.005","90","","6641.5","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Al2 Cl20 N2 Si6 -","- C32 H72 Al2 Cl20 N2 Si6 -","- C128 H288 Al8 Cl80 N8 Si24 -","4","0.5","","Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.","Inorganic chemistry","2015","54","19","9611","9618","10.1021/acs.inorgchem.5b01703","","","0.71073","MoKα","","0.1001","0.0898","","","0.2577","0.2635","","","","","","1.105","","","","has coordinates","265219","2021-05-14","09:43:36",""
"4346577","36.9602","0.0014","9.5908","0.0003","18.4902","0.0007","90","","99.231","0.003","90","","6469.5","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cl36 Si19 -","- Cl36 Si19 -","- Cl144 Si76 -","4","0.5","","Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.","Inorganic chemistry","2015","54","19","9611","9618","10.1021/acs.inorgchem.5b01703","","","0.71073","MoKα","","0.0406","0.0357","","","0.0819","0.0844","","","","","","1.058","","","","has coordinates","265219","2021-05-14","09:43:36",""
"4346578","12.6663","0.0011","12.6663","0.0011","27.782","0.003","90","","90","","120","","3860.1","0.6","173","2","173","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Cl16 Si6 -","- C Cl16 Si6 -","- C6 Cl96 Si36 -","6","0.166667","","Tillmann, Jan; Moxter, Maximilian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Lewis acidity of Si6Cl12 and its role as convenient SiCl2 source.","Inorganic chemistry","2015","54","19","9611","9618","10.1021/acs.inorgchem.5b01703","","","0.71073","MoKα","","0.04","0.0375","","","0.0912","0.0924","","","","","","1.206","","","","has coordinates","231854","2020-10-21","18:00:00",""
"4346579","28.87","0.006","23.02","0.005","24.01","0.005","90","","102.65","0.03","90","","15569","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C166 H184 Eu2 N22 O23 -","- C166 H184 Eu2 N22 O23 -","- C664 H736 Eu8 N88 O92 -","4","1","","Lu, Guifen; Li, Jing; Jiang, Xiaoqin; Ou, Zhongping; Kadish, Karl M.","Europium triple-decker complexes containing phthalocyanine and nitrophenyl-corrole macrocycles.","Inorganic chemistry","2015","54","18","9211","9222","10.1021/acs.inorgchem.5b01713","","","0.71073","MoKα","","0.1269","0.1198","","","0.2864","0.2935","","","","","","1.138","","","","has coordinates","231855","2020-10-21","18:00:00",""
"4346580","14.794","0.002","11.4549","0.0016","21.817","0.003","90","","98.714","0.007","90","","3654.5","0.9","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Mn N8 Na2 -","- C42 H36 Mn N8 Na2 -","- C168 H144 Mn4 N32 Na8 -","4","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0563","0.0429","","","0.1072","0.1152","","","","","","0.991","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346581","9.5754","0.0018","27.961","0.005","13.64","0.003","90","","103.704","0.003","90","","3548","1.2","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Fe N8 Na2 O2 -","- C36 H36 Fe N8 Na2 O2 -","- C144 H144 Fe4 N32 Na8 O8 -","4","1","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0578","0.0479","","","0.1156","0.1248","","","","","","1.007","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346582","11.378","0.003","12.0734","0.0012","26.965","0.003","90","","101.804","0.011","90","","3625.9","1.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Fe N8 Na2 -","- C40 H32 Fe N8 Na2 -","- C160 H128 Fe4 N32 Na8 -","4","1","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0516","0.0373","","","0.0881","0.0942","","","","","","1.005","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346583","9.5708","0.0019","27.954","0.005","13.629","0.003","90","","103.41","0.003","90","","3546.9","1.2","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Co N8 Na2 O2 -","- C36 H36 Co N8 Na2 O2 -","- C144 H144 Co4 N32 Na8 O8 -","4","1","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0496","0.0418","","","0.1063","0.1123","","","","","","1","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346584","14.867","0.004","11.515","0.003","21.666","0.007","90","","98.757","0.005","90","","3665.8","1.8","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Co N8 Na2 -","- C42 H36 Co N8 Na2 -","- C168 H144 Co4 N32 Na8 -","4","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0601","0.05","","","0.1271","0.1357","","","","","","1.012","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346585","17.07","0.006","17.07","0.006","15.917","0.005","90","","90","","120","","4017","2","98","2","98","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H20 Fe K2 N8 -","- C28 H20 Fe K2 N8 -","- C168 H120 Fe6 K12 N48 -","6","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0365","0.0348","","","0.081","0.0822","","","","","","0.997","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346586","9.0323","0.0016","20.881","0.004","19.663","0.004","90","","92.957","0.002","90","","3703.6","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Fe Li2 N8 O2 -","- C42 H42 Fe Li2 N8 O2 -","- C168 H168 Fe4 Li8 N32 O8 -","4","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0329","0.0302","","","0.0808","0.083","","","","","","1.002","","","","has coordinates","231856","2020-10-21","18:00:00",""
"4346587","8.695","0.004","9.374","0.005","10.121","0.006","87.28","0.03","88.25","0.02","69.923","0.017","773.8","0.7","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl4 N8 Ni2 -","- C30 H24 Cl4 N8 Ni2 -","- C30 H24 Cl4 N8 Ni2 -","1","0.5","","Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.","Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.","Inorganic chemistry","2015","54","19","9637","9645","10.1021/acs.inorgchem.5b01732","","","0.71073","MoKα","","0.0765","0.0698","","","0.1484","0.1524","","","","","","1.015","","","","has coordinates,has disorder","231856","2020-10-21","18:00:00",""
"4346588","16.7399","0.0006","28.7996","0.0016","40.3572","0.001","90","","90","","90","","19456.3","1.4","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C100 H160 N16 O Zn -","- C100 H160 N16 O Zn -","- C800 H1280 N128 O8 Zn8 -","8","1","","Chen, Yuxiang; Cao, Wei; Wang, Kang; Jiang, Jianzhuang","Unprecedented Phthalocyanines Bearing Eight Di-butylamino Peripheral Substituents: Synthesis, Spectroscopy, and Structure.","Inorganic chemistry","2015","54","20","9962","9967","10.1021/acs.inorgchem.5b01734","","","1.54178","CuKα","","0.1337","0.1137","","","0.3004","0.3215","","","","","","1.256","","","","has coordinates","231857","2020-10-21","18:00:00",""
"4346589","20.0317","0.001","27.6755","0.0011","18.582","0.0009","90","","116.117","0.006","90","","9249.8","0.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C96 H154 N16 -","- C96 H154 N16 -","- C384 H616 N64 -","4","0.5","","Chen, Yuxiang; Cao, Wei; Wang, Kang; Jiang, Jianzhuang","Unprecedented Phthalocyanines Bearing Eight Di-butylamino Peripheral Substituents: Synthesis, Spectroscopy, and Structure.","Inorganic chemistry","2015","54","20","9962","9967","10.1021/acs.inorgchem.5b01734","","","1.54178","CuKα","","0.0845","0.0575","","","0.1426","0.1557","","","","","","1.046","","","","has coordinates,has disorder","231858","2020-10-21","18:00:00",""
"4346590","24.138","0.002","23.627","0.001","24.963","0.002","90","","114.448","0.01","90","","12960.1","1.9","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C92 Cl20.84 -","- C92 Cl20.8445 -","- C736 Cl166.756 -","8","2","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.87313","synchrotron","","0.0532","0.0468","","","0.1135","0.1172","","","","","","1.007","","","","has coordinates","231859","2020-10-21","18:00:00",""
"4346591","28.241","0.002","14.5149","0.0008","42.573","0.003","90","","101.138","0.008","90","","17123","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C124 H20 F48 -","- C124 H7 F48 -","- C992 H56 F384 -","8","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.85507","synchrotron","","0.0908","0.0662","","","0.1645","0.1768","","","","","","1.033","","","","has coordinates","231860","2020-10-21","18:00:00",""
"4346592","14.455","0.001","15.67","0.001","21.929","0.002","102.148","0.006","92.521","0.01","116.689","0.01","4283.7","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C112 H9.33 F48 -","- C112 F48 -","- C224 F96 -","2","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.87313","synchrotron","","0.3093","0.0937","","","0.15","0.1796","","","","","","1.019","","","","has coordinates","231861","2020-10-21","18:00:00",""
"4346593","12.468","0.001","13.02","0.001","25.036","0.002","79.007","0.01","89.059","0.008","68.991","0.009","3718.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C111 H2 Cl F48 -","- C111 H2 Cl F48 -","- C222 H4 Cl2 F96 -","2","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.85507","synchrotron","","0.1393","0.0791","","","0.1804","0.1956","","","","","","1.075","","","","has coordinates,has disorder","231862","2020-10-21","18:00:00",""
"4346594","13.026","0.001","13.538","0.001","23.809","0.002","73.74","0.01","77.53","0.01","65.25","0.01","3636.9","0.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C106 F42 -","- C106 F42 -","- C212 F84 -","2","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.88561","synchrotron","","0.1518","0.1085","","","0.2656","0.2794","","","","","","1.139","","","","has coordinates","231863","2020-10-21","18:00:00",""
"4346595","25.172","0.003","14.092","0.001","25.412","0.002","90","","116.979","0.01","90","","8033.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C112.5 H Cl0.7 F48 -","- C111.5 Cl1.2 F48 -","- C446 Cl4.8 F192 -","4","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.88561","synchrotron","","0.5488","0.1449","","","0.1612","0.2426","","","","","","0.786","","","","has coordinates","231864","2020-10-21","18:00:00",""
"4346596","13.811","0.001","13.898","0.001","24.168","0.001","83.887","0.003","85.006","0.008","62.648","0.006","4093.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C122.25 H20.35 F42 -","- C122.257 F42 -","- C244.515 F84 -","2","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.85507","synchrotron","","0.1136","0.0736","","","0.1689","0.1856","","","","","","1.001","","","","has coordinates","231865","2020-10-21","18:00:00",""
"4346597","13.8891","0.0007","14.037","0.001","26.155","0.002","94.005","0.005","102.706","0.01","116.828","0.009","4354.4","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C125.29 H21.6 F48 -","- C125.308 H11.635 F48 -","- C250.616 H23.27 F96 -","2","1","","Tamm, Nadezhda B.; Troyanov, Sergey I.","New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.","Inorganic chemistry","2015","54","22","10527","10529","10.1021/acs.inorgchem.5b01740","","","0.85507","synchrotron","","0.0918","0.0751","","","0.1971","0.205","","","","","","1.005","","","","has coordinates","231866","2020-10-21","18:00:00",""
"4346598","3.706","0.0002","15.3779","0.0011","13.3228","0.0008","90","","92.006","0.005","90","","758.81","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[(2-amino-5-nitropyridine-kN1)(mu3-chlorido)copper(I)]","","- C5 H5 Cl Cu N3 O2 -","- C5 H5 Cl Cu N3 O2 -","- C20 H20 Cl4 Cu4 N12 O8 -","4","1","","Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.","Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.","Inorganic chemistry","2015","54","22","10738","10747","10.1021/acs.inorgchem.5b01754","","","0.71073","MoKα","","0.059","0.0399","","","0.0885","0.0927","","","","","","0.985","","","","has coordinates","231868","2020-10-21","18:00:00",""
"4346599","3.7808","0.0001","7.2375","0.0002","28.815","0.0011","90","","92.565","0.003","90","","787.69","0.04","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[(m3-bromide)(2-amino-5-nitropyridine)copper(I)]","","- C5 H5 Br Cu N3 O2 -","- C5 H5 Br Cu N3 O2 -","- C20 H20 Br4 Cu4 N12 O8 -","4","1","","Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.","Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.","Inorganic chemistry","2015","54","22","10738","10747","10.1021/acs.inorgchem.5b01754","","","0.71073","MoKα","","0.0441","0.0406","","","0.0789","0.0802","","","","","","1.374","","","","has coordinates","231868","2020-10-21","18:00:00",""
"4346600","4.1444","0.0001","11.3403","0.0002","15.0851","0.0003","108.66","0.001","93.975","0.001","98.533","0.001","659.1","0.02","296","2","296","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-poly[(m3-iodide)(2-amino-5-nitropyridine)copper(I)]-acetic acid (1/1)","","- C7 H9 Cu I N3 O4 -","- C7 H9 Cu I N3 O4 -","- C14 H18 Cu2 I2 N6 O8 -","2","1","","Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.","Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.","Inorganic chemistry","2015","54","22","10738","10747","10.1021/acs.inorgchem.5b01754","","","0.71073","","","0.0243","0.0212","","","0.0587","0.0615","","","","","","1.117","","","","has coordinates","231868","2020-10-21","18:00:00",""
"4346601","14.6169","0.0003","7.2367","0.0002","16.1212","0.0003","90","","110.554","0.001","90","","1596.72","0.06","296","2","296","2","","","","","","","synthesis as described","5","P 1 2/n 1","-P 2yac","13","","catena-poly[(2-amino-5-nitropyridine-kN1)(mu-cyanido)copper(I)]","","- C12 H10 Cu2 N8 O4 -","- C12 H10 Cu2 N8 O4 -","- C48 H40 Cu8 N32 O16 -","4","1","","Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.","Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.","Inorganic chemistry","2015","54","22","10738","10747","10.1021/acs.inorgchem.5b01754","","","0.71073","MoKα","","0.041","0.0271","","","0.0579","0.0627","","","","","","1.021","","","","has coordinates,has disorder","231868","2020-10-21","18:00:00",""
"4346602","5.8985","0.0001","14.2513","0.0003","10.8843","0.0002","90","","105.129","0.001","90","","883.24","0.03","296","2","296","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","catena-poly[(2-amino-5-nitropyridine-kN1)(mu3-thiocyanato-kN:kS:kS)copper(I)]","","- C6 H5 Cu N4 O2 S -","- C6 H5 Cu N4 O2 S -","- C24 H20 Cu4 N16 O8 S4 -","4","1","","Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.","Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.","Inorganic chemistry","2015","54","22","10738","10747","10.1021/acs.inorgchem.5b01754","","","0.71073","MoKα","","0.0243","0.0221","","","0.0572","0.0586","","","","","","1.073","","","","has coordinates","231868","2020-10-21","18:00:00",""
"4346603","9.9428","0.0008","10.4394","0.0008","14.5779","0.0012","107.05","0.005","109.127","0.006","90.079","0.005","1358.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Cd1.5 O13 -","- C18 H15 Cd1.5 O13 -","- C36 H30 Cd3 O26 -","2","1","","Wu, Pengyan; Liu, Yanhong; Liu, Yi; Wang, Jingru; Li, Yang; Liu, Wei; Wang, Jian","Cadmium-Based Metal-Organic Framework as a Highly Selective and Sensitive Ratiometric Luminescent Sensor for Mercury(II).","Inorganic chemistry","2015","54","23","11046","11048","10.1021/acs.inorgchem.5b01758","","","0.71073","MoKα","","0.0857","0.0617","","","0.16","0.1736","","","","","","1.009","","","","has coordinates,has disorder","231869","2020-10-21","18:00:00",""
"4346604","12.319","0.003","24.455","0.005","28.738","0.006","90","","102.03","0.03","90","","8468","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu2 F42 Gd N6 O18 -","- C65 H53 Cu2 F42 Gd N6 O18 -","- C260 H212 Cu8 F168 Gd4 N24 O72 -","4","1","","Wang, Xiufeng; Hu, Peng; Li, Licun; Sutter, Jean-Pascal","[(Cu-radical)2-Ln]: structure and magnetic properties of a hetero-tri-spin chain of rings (Ln = Y(III), Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2015","54","19","9664","9669","10.1021/acs.inorgchem.5b01761","","","0.71073","MoKα","","0.0578","0.047","","","0.1316","0.1442","","","","","","1.018","","","","has coordinates,has disorder","231870","2020-10-21","18:00:00",""
"4346605","12.302","0.003","24.362","0.005","28.685","0.006","90","","101.92","0.03","90","","8412","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu2 Dy F42 N6 O18 -","- C65 H53 Cu2 Dy F42 N6 O18 -","- C260 H212 Cu8 Dy4 F168 N24 O72 -","4","1","","Wang, Xiufeng; Hu, Peng; Li, Licun; Sutter, Jean-Pascal","[(Cu-radical)2-Ln]: structure and magnetic properties of a hetero-tri-spin chain of rings (Ln = Y(III), Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2015","54","19","9664","9669","10.1021/acs.inorgchem.5b01761","","","0.71073","MoKα","","0.055","0.0442","","","0.1279","0.1417","","","","","","1.056","","","","has coordinates","231871","2020-10-21","18:00:00",""
"4346606","12.342","0.003","24.479","0.005","28.691","0.006","90","","101.99","0.03","90","","8479","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu2 F42 N6 O18 Tb -","- C65 H53 Cu2 F42 N6 O18 Tb -","- C260 H212 Cu8 F168 N24 O72 Tb4 -","4","1","","Wang, Xiufeng; Hu, Peng; Li, Licun; Sutter, Jean-Pascal","[(Cu-radical)2-Ln]: structure and magnetic properties of a hetero-tri-spin chain of rings (Ln = Y(III), Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2015","54","19","9664","9669","10.1021/acs.inorgchem.5b01761","","","0.71073","MoKα","","0.0719","0.0564","","","0.152","0.1669","","","","","","1.08","","","","has coordinates","231872","2020-10-21","18:00:00",""
"4346607","12.32","0.003","24.477","0.005","28.744","0.006","90","","101.86","0.03","90","","8483","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu2 F42 N6 O18 Y -","- C65 H53 Cu2 F42 N6 O18 Y -","- C260 H212 Cu8 F168 N24 O72 Y4 -","4","1","","Wang, Xiufeng; Hu, Peng; Li, Licun; Sutter, Jean-Pascal","[(Cu-radical)2-Ln]: structure and magnetic properties of a hetero-tri-spin chain of rings (Ln = Y(III), Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2015","54","19","9664","9669","10.1021/acs.inorgchem.5b01761","","","0.71073","MoKα","","0.1558","0.1001","","","0.2119","0.2473","","","","","","1.013","","","","has coordinates","231873","2020-10-21","18:00:00",""
"4346608","14.117","0.006","12.865","0.006","15.18","0.006","90","","109.588","0.007","90","","2597.4","1.9","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[YFe(CN)6](hep)2(H2O)4,12sep25b","","","- C9 H15 Fe0.5 N4 O4 Y0.5 -","- C9 H15 Fe0.5 N4 O4 Y0.5 -","- C72 H120 Fe4 N32 O32 Y4 -","8","1","","Zhang, Yan; Guo, Zhen; Xie, Shuang; Li, Hui-Li; Zhu, Wen-Hua; Liu, Li; Dong, Xun-Qing; He, Wei-Xun; Ren, Jin-Chao; Liu, Ling-Zhi; Powell, Annie K.","Tuning the Origin of Magnetic Relaxation by Substituting the 3d or Rare-Earth Ions into Three Isostructural Cyano-Bridged 3d-4f Heterodinuclear Compounds.","Inorganic chemistry","2015","54","21","10316","10322","10.1021/acs.inorgchem.5b01763","","","0.71073","MoKα","","0.0364","0.029","","","0.0731","0.0755","","","","","","1.037","","","","has coordinates","231874","2020-10-21","18:00:00",""
"4346609","14.1741","0.0006","12.9082","0.0006","15.2619","0.0007","90","","109.4","0.002","90","","2633.8","0.2","296","2","296.6","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[DyCo(CN)6](hep)2(H2O)4,14Jun16d","","","- C9 H15 Co0.5 Dy0.5 N4 O4 -","- C9 H15 Co0.5 Dy0.5 N4 O4 -","- C72 H120 Co4 Dy4 N32 O32 -","8","1","","Zhang, Yan; Guo, Zhen; Xie, Shuang; Li, Hui-Li; Zhu, Wen-Hua; Liu, Li; Dong, Xun-Qing; He, Wei-Xun; Ren, Jin-Chao; Liu, Ling-Zhi; Powell, Annie K.","Tuning the Origin of Magnetic Relaxation by Substituting the 3d or Rare-Earth Ions into Three Isostructural Cyano-Bridged 3d-4f Heterodinuclear Compounds.","Inorganic chemistry","2015","54","21","10316","10322","10.1021/acs.inorgchem.5b01763","","","0.71073","MoKα","","0.0385","0.0288","","","0.0566","0.0598","","","","","","1.092","","","","has coordinates","231875","2020-10-21","18:00:00",""
"4346610","14.2008","0.0014","12.9492","0.0012","15.2936","0.0014","90","","109.561","0.001","90","","2650","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[DyFe(CN)6](hep)2(H2O)4,13apr16a","","","- C9 H15 Dy0.5 Fe0.5 N4 O4 -","- C9 H15 Dy0.5 Fe0.5 N4 O4 -","- C72 H120 Dy4 Fe4 N32 O32 -","8","1","","Zhang, Yan; Guo, Zhen; Xie, Shuang; Li, Hui-Li; Zhu, Wen-Hua; Liu, Li; Dong, Xun-Qing; He, Wei-Xun; Ren, Jin-Chao; Liu, Ling-Zhi; Powell, Annie K.","Tuning the Origin of Magnetic Relaxation by Substituting the 3d or Rare-Earth Ions into Three Isostructural Cyano-Bridged 3d-4f Heterodinuclear Compounds.","Inorganic chemistry","2015","54","21","10316","10322","10.1021/acs.inorgchem.5b01763","","","0.71073","MoKα","","0.0199","0.0181","","","0.0458","0.0469","","","","","","0.917","","","","has coordinates","231876","2020-10-21","18:00:00",""
"4346611","7.8979","0.0003","8.45","0.0004","19.2843","0.0008","81.422","0.002","87.89","0.002","75.316","0.002","1231.02","0.09","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Br0.04 N4.96 O9.88 Zn -","- C24 H23 Br0.041 N4.959 O9.877 Zn -","- C48 H46 Br0.082 N9.918 O19.754 Zn2 -","2","1","","Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.","Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.","Inorganic chemistry","2015","54","20","9976","9988","10.1021/acs.inorgchem.5b01766","","x-ray","0.71073","MoKα","","0.1171","0.0577","","","0.1169","0.1403","","","","","","1.034","","","","has coordinates,has disorder","231877","2020-10-21","18:00:00",""
"4346612","12.5438","0.0011","16.7705","0.0014","21.9486","0.0019","90","","98.684","0.004","90","","4564.3","0.7","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Hg N8 O15 -","- C48 H48 Hg N8 O15 -","- C192 H192 Hg4 N32 O60 -","4","0.5","","Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.","Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.","Inorganic chemistry","2015","54","20","9976","9988","10.1021/acs.inorgchem.5b01766","","x-ray","0.71073","MoKα","","0.0357","0.0253","","","0.0524","0.056","","","","","","1.057","","","","has coordinates","231878","2020-10-21","18:00:00",""
"4346613","10.946","0.0003","28.8405","0.0007","8.743","0.0002","90","","109.211","0.001","90","","2606.36","0.11","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N5 O10 Pb -","- C24 H23 N5 O10 Pb -","- C96 H92 N20 O40 Pb4 -","4","1","","Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.","Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.","Inorganic chemistry","2015","54","20","9976","9988","10.1021/acs.inorgchem.5b01766","","x-ray","0.71073","MoKα","","0.0341","0.029","","","0.0636","0.0661","","","","","","1.06","","","","has coordinates","231879","2020-10-21","18:00:00",""
"4346614","9.0804","0.0005","11.6555","0.0006","11.9969","0.0007","103.543","0.003","111.291","0.002","93.928","0.002","1133.51","0.11","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Ag N4 O7 -","- C24 H23 Ag N4 O7 -","- C48 H46 Ag2 N8 O14 -","2","1","","Nugent, Joseph W.; Reibenspies, Joseph H.; Hancock, Robert D.","Controlling the Fluorescence Response of PET Sensors via the Metal-Ion π-Contacting Ability of the Fluorophore: Coumarin, a Weaker π Contacter.","Inorganic chemistry","2015","54","20","9976","9988","10.1021/acs.inorgchem.5b01766","","x-ray","0.71073","MoKα","","0.032","0.0256","","","0.0612","0.065","","","","","","1.041","","","","has coordinates","231880","2020-10-21","18:00:00",""
"4346617","8.7198","0.0002","15.5917","0.0004","16.5181","0.0005","90","","98.1962","0.0011","90","","2222.8","0.1","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 Cu N4 O10 P2 -","- C12 H38 Cu N4 O10 P2 -","- C48 H152 Cu4 N16 O40 P8 -","4","1","","David, Tomáš; Kubíček, Vojtěch; Gutten, Ondrej; Lubal, Přemysl; Kotek, Jan; Pietzsch, Hans-Jürgen; Rulíšek, Lubomír; Hermann, Petr","Cyclam Derivatives with a Bis(phosphinate) or a Phosphinato-Phosphonate Pendant Arm: Ligands for Fast and Efficient Copper(II) Complexation for Nuclear Medical Applications.","Inorganic chemistry","2015","54","24","11751","11766","10.1021/acs.inorgchem.5b01791","","","0.71073","MoKα","","0.0456","0.0343","","","0.0813","0.0862","","","","","","1.036","","","","has coordinates","231883","2020-10-21","18:00:00",""
"4346618","10.595","0.0004","8.1462","0.0003","30.0955","0.001","90","","95.564","0.002","90","","2585.27","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl2 N3 Ti -","- C29 H25 Cl2 N3 Ti -","- C116 H100 Cl8 N12 Ti4 -","4","1","","Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua","Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).","Inorganic chemistry","2015","54","21","10380","10397","10.1021/acs.inorgchem.5b01796","","","0.71073","MoKα","","0.034","0.0271","","","0.0694","0.0734","","","","","","0.947","","","","has coordinates","231884","2020-10-21","18:00:00",""
"4346619","14.7185","0.0007","9.2708","0.0004","17.9821","0.0008","90","","96.803","0.003","90","","2436.42","0.19","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H28 Cl2 N4 O Ti -","- C24 H28 Cl2 N4 O Ti -","- C96 H112 Cl8 N16 O4 Ti4 -","4","1","","Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua","Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).","Inorganic chemistry","2015","54","21","10380","10397","10.1021/acs.inorgchem.5b01796","","","0.71073","MoKα","","0.04","0.0329","","","0.0706","0.0733","","","","","","1.045","","","","has coordinates","231885","2020-10-21","18:00:00",""
"4346620","13.5081","0.0009","7.1545","0.0004","18.0442","0.0012","90","","109.918","0.004","90","","1639.54","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl N2 Ti -","- C18 H18 Cl N2 Ti -","- C72 H72 Cl4 N8 Ti4 -","4","1","","Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua","Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).","Inorganic chemistry","2015","54","21","10380","10397","10.1021/acs.inorgchem.5b01796","","","0.71073","MoKα","","0.0395","0.0286","","","0.0692","0.0737","","","","","","1.033","","","","has coordinates,has disorder","231886","2020-10-21","18:00:00",""
"4346621","17.1277","0.0005","15.238","0.0005","20.9887","0.0006","90","","92.716","0.002","90","","5471.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cl4 N10 Ti2 -","- C56 H50 Cl4 N10 Ti2 -","- C224 H200 Cl16 N40 Ti8 -","4","1","","Wijeratne, Gayan B.; Zolnhofer, Eva M.; Fortier, Skye; Grant, Lauren N.; Carroll, Patrick J.; Chen, Chun-Hsing; Meyer, Karsten; Krzystek, J.; Ozarowski, Andrew; Jackson, Timothy A.; Mindiola, Daniel J.; Telser, Joshua","Electronic Structure and Reactivity of a Well-Defined Mononuclear Complex of Ti(II).","Inorganic chemistry","2015","54","21","10380","10397","10.1021/acs.inorgchem.5b01796","","","0.71073","MoKα","","0.0961","0.0483","","","0.1048","0.1214","","","","","","0.999","","","","has coordinates,has disorder","231887","2020-10-21","18:00:00",""
"4346627","13.9581","0.0015","10.2038","0.0011","16.9208","0.0019","90","","110.545","0.003","90","","2256.7","0.4","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","0.5","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.0459","0.0336","","","0.0789","0.0846","","","","","","1.062","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346628","13.9918","0.0009","10.2185","0.0007","16.9335","0.0011","90","","110.485","0.0018","90","","2268","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","0.5","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.0502","0.036","","","0.0805","0.0863","","","","","","1.05","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346629","14.1067","0.0012","10.2465","0.0009","17.0042","0.0015","90","","111.113","0.003","90","","2292.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","1","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.0337","0.0297","","","0.0751","0.0782","","","","","","1.12","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346630","14.1541","0.0002","10.2848","0.0002","17.0454","0.0003","90","","111.276","0.0005","90","","2312.21","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","1","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.0605","0.0342","","","0.069","0.0769","","","","","","1.042","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346631","14.2173","0.0012","10.3201","0.001","17.0956","0.0015","90","","111.413","0.003","90","","2335.2","0.4","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","1","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.1102","0.0494","","","0.1002","0.1191","","","","","","1.014","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346632","14.2766","0.0002","10.3755","0.0002","17.1718","0.0003","90","","111.579","0.0006","90","","2365.32","0.07","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","1","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.1103","0.0492","","","0.0999","0.1189","","","","","","1.012","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346633","14.3561","0.0003","10.4687","0.0002","17.2808","0.0003","90","","111.734","0.0006","90","","2412.5","0.08","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 Fe N3 S6 -","- C15 H30 Fe N3 S6 -","- C60 H120 Fe4 N12 S24 -","4","0.5","","Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael","Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.","Inorganic chemistry","2015","54","24","11606","11624","10.1021/acs.inorgchem.5b01822","","","0.71073","MoKα","","0.0845","0.0428","","","0.0872","0.1008","","","","","","1.026","","","","has coordinates,has disorder","231890","2020-10-21","18:00:00",""
"4346634","12.389","0.005","9.757","0.004","25.458","0.01","90","","96.61","0.006","90","","3057","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tufan_3_139","","","- C25 H29 Cl6 Mn N5 -","- C25 H29 Cl6 Mn N5 -","- C100 H116 Cl24 Mn4 N20 -","4","0.5","","Ghosh, Chandrani; Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A Pentacoordinate Mn(II) Precatalyst That Exhibits Notable Aldehyde and Ketone Hydrosilylation Turnover Frequencies.","Inorganic chemistry","2015","54","21","10398","10406","10.1021/acs.inorgchem.5b01825","","","0.71073","MoKα","","0.0722","0.0643","","","0.1637","0.1683","","","","","","1.099","","","","has coordinates","231891","2020-10-21","18:00:00",""
"4346635","11.803","0.003","17.331","0.004","13.28","0.003","90","","103.23","0.004","90","","2644.4","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tufan_1_59","","","- C30 H31 Mn N5 -","- C30 H31 Mn N5 -","- C120 H124 Mn4 N20 -","4","0.5","","Ghosh, Chandrani; Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A Pentacoordinate Mn(II) Precatalyst That Exhibits Notable Aldehyde and Ketone Hydrosilylation Turnover Frequencies.","Inorganic chemistry","2015","54","21","10398","10406","10.1021/acs.inorgchem.5b01825","","","0.71073","MoKα","","0.0521","0.0367","","","0.0722","0.0787","","","","","","1.025","","","","has coordinates","231891","2020-10-21","18:00:00",""
"4346636","5.1324","0.0006","5.1324","0.0006","4.4324","0.0005","90","","90","","120","","101.11","0.02","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Cd F K O3 -","- C Cd F K O3 -","- C Cd F K O3 -","1","0.0833333","","Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao","K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.","Inorganic chemistry","2015","54","21","10407","10414","10.1021/acs.inorgchem.5b01848","","","0.71073","MoKα","","0.0356","0.0356","","","0.0778","0.0778","","","","","","1.158","","","","has coordinates","231892","2020-10-21","18:00:00",""
"4346637","5.2989","0.0003","5.2989","0.0003","23.2326","0.0018","90","","90","","120","","564.94","0.06","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 F2 K2 O9 Pb3 -","- C3 F2 K2 O9 Pb3 -","- C6 F4 K4 O18 Pb6 -","2","0.0833333","","Lin, Yuan; Hu, Chun-Li; Mao, Jiang-Gao","K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures.","Inorganic chemistry","2015","54","21","10407","10414","10.1021/acs.inorgchem.5b01848","","","0.71073","MoKα","","0.0219","0.0216","","","0.0598","0.0603","","","","","","1.085","","","","has coordinates","231892","2020-10-21","18:00:00",""
"4346638","17.796","0.003","17.665","0.003","28.23","0.004","90","","91.778","0.002","90","","8870","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H168 Cu9 N72 O0 W6 -","- C120 H168 Cu9 N72 W6 -","- C240 H336 Cu18 N144 W12 -","2","0.5","","Zhang, Zaichao; Liu, Yong; Wei, Rong-Min; Sheng, Zhen-Huan; Wang, Peng; Song, You","Electrochemical Synthesis and Magnetic Properties of [Cu9W6]: The Ultimate Member of the Quindecanuclear Octacyanometallate-Based Transition-Metal Cluster?","Inorganic chemistry","2015","54","23","11049","11051","10.1021/acs.inorgchem.5b01852","","","0.71073","MoKα","","0.0738","0.0448","","","0.1107","0.1196","","","","","","1.04","","","","has coordinates,has disorder","231893","2020-10-21","18:00:00",""
"4346639","12.2057","0.0004","8.6301","0.0002","13.8711","0.0004","90","","104.814","0.003","90","","1412.57","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alsntbu","","","- C13 H20 Al N S -","- C13 H20 Al N S -","- C52 H80 Al4 N4 S4 -","4","1","","Chang, Meng-Chih; Lu, Wei-Yi; Chang, Heng-Yi; Lai, Yi-Chun; Chiang, Michael Y.; Chen, Hsing-Yin; Chen, Hsuan-Ying","Comparative Study of Aluminum Complexes Bearing N,O- and N,S-Schiff Base in Ring-Opening Polymerization of ε-Caprolactone and L-Lactide.","Inorganic chemistry","2015","54","23","11292","11298","10.1021/acs.inorgchem.5b01858","","","0.71073","MoKα","","0.0453","0.0352","","","0.0855","0.0913","","","","","","1.012","","","","has coordinates","231894","2020-10-21","18:00:00",""
"4346640","13.0567","0.0005","17.1828","0.0006","22.4023","0.0007","91.934","0.002","90.04","0.002","98.811","0.002","4963.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C2 H103 As2 Na15 O120 Ti2 W18 -","- As2 Na10.85 O97.5 Ti2 W18 -","- As4 Na21.7 O195 Ti4 W36 -","2","1","","Wang, Kai-Yao; Lin, Zhengguo; Bassil, Bassem S.; Xing, Xiaolin; Haider, Ali; Keita, Bineta; Zhang, Guangjin; Silvestru, Cristian; Kortz, Ulrich","Ti2-Containing 18-Tungsto-2-Arsenate(III) Monolacunary Host and the Incorporation of a Phenylantimony(III) Guest.","Inorganic chemistry","2015","54","22","10530","10532","10.1021/acs.inorgchem.5b01863","","","0.71073","MoKα","","0.0573","0.0504","","","0.1199","0.1234","","","","","","1.004","","","","has coordinates","231895","2020-10-21","18:00:00",""
"4346641","18.7957","0.0004","27.7898","0.0007","19.7359","0.0005","90","","91.775","0.0012","90","","10303.7","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C6 H85 As2 Cs2.5 Na9.5 O108 Sb Ti2 W18 -","- C6 H5 As2 Cs4 Na6.05 O90.5 Sb Ti2 W18 -","- C24 H20 As8 Cs16 Na24.2 O362 Sb4 Ti8 W72 -","4","1","","Wang, Kai-Yao; Lin, Zhengguo; Bassil, Bassem S.; Xing, Xiaolin; Haider, Ali; Keita, Bineta; Zhang, Guangjin; Silvestru, Cristian; Kortz, Ulrich","Ti2-Containing 18-Tungsto-2-Arsenate(III) Monolacunary Host and the Incorporation of a Phenylantimony(III) Guest.","Inorganic chemistry","2015","54","22","10530","10532","10.1021/acs.inorgchem.5b01863","","","0.71073","MoKα","","0.0612","0.0416","","","0.1009","0.111","","","","","","1.004","","","","has coordinates","231896","2020-10-21","18:00:00",""
"4346642","13.076","0.004","16.683","0.006","16.769","0.006","111.103","0.006","94.397","0.004","90.941","0.004","3399","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 N2 O16 Ru2 -","- C66 H102 N2 O16 Ru2 -","- C132 H204 N4 O32 Ru4 -","2","1","","Mandal, Abhishek; Grupp, Anita; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar","Noninnocently Behaving Bridging Anions of the Widely Distributed Antioxidant Ellagic Acid in Diruthenium Complexes.","Inorganic chemistry","2015","54","20","10049","10057","10.1021/acs.inorgchem.5b01868","","","0.7107","MoKα","","0.06","0.0545","","","0.1286","0.1328","","","","","","1.11","","","","has coordinates","231897","2020-10-21","18:00:00",""
"4346643","14.639","0.002","21.8314","0.0016","9.7911","0.0011","90","","90","","90","","3129.1","0.6","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C22 H17 N5 O4 Zn -","- C22 H17 N5 O4 Zn -","- C88 H68 N20 O16 Zn4 -","4","0.25","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan","Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.","Inorganic chemistry","2015","54","23","11283","11291","10.1021/acs.inorgchem.5b01869","","","0.707","CuKα","","0.1254","0.1026","","","0.2662","0.3033","","","","","","1.018","","","","has coordinates,has disorder","231898","2020-10-21","18:00:00",""
"4346644","14.2505","0.0006","8.1972","0.0003","18.9816","0.0007","90","","97.214","0.002","90","","2199.77","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N5 O5 Zn -","- C22 H17 N5 O5 Zn -","- C88 H68 N20 O20 Zn4 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan","Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.","Inorganic chemistry","2015","54","23","11283","11291","10.1021/acs.inorgchem.5b01869","","","0.71073","MoKα","","0.0394","0.0365","","","0.1005","0.1023","","","","","","1.067","","","","has coordinates","231899","2020-10-21","18:00:00",""
"4346645","9.9411","0.0003","15.7636","0.0004","14.3626","0.0005","90","","111.548","0.002","90","","2093.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N5 O5 Zn -","- C22 H17 N5 O5 Zn -","- C88 H68 N20 O20 Zn4 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan","Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.","Inorganic chemistry","2015","54","23","11283","11291","10.1021/acs.inorgchem.5b01869","","","0.71073","MoKα","","0.0572","0.047","","","0.1279","0.1332","","","","","","1.089","","","","has coordinates","231900","2020-10-21","18:00:00",""
"4346646","8.5654","0.0001","10.1805","0.0001","12.9245","0.0001","76.03","","88.046","0.001","77.77","","1068.69","0.018","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N5 O5 Zn -","- C22 H17 N5 O5 Zn -","- C44 H34 N10 O10 Zn2 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Demiral, Hakan","Effect of Solvent Molecule in Pore for Flexible Porous Coordination Polymer upon Gas Adsorption and Iodine Encapsulation.","Inorganic chemistry","2015","54","23","11283","11291","10.1021/acs.inorgchem.5b01869","","","0.71073","MoKα","","0.0818","0.0734","","","0.2278","0.2362","","","","","","1.075","","","","has coordinates","231901","2020-10-21","18:00:00",""
"4346647","43.9611","0.0017","9.0601","0.0004","17.3189","0.0007","90","","111.638","0.003","90","","6411.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H55 Cl N4 Ni O2 Si -","- C25 H55 Cl N4 Ni O2 Si -","- C200 H440 Cl8 N32 Ni8 O16 Si8 -","8","1","","Tyler, Sarah F.; Natoli, Sean N.; Vlaisavljevich, Bess; Fanwick, Phillip E.; Ren, Tong","Turning a New Leaf on Metal-TMC Chemistry: Ni(II)(TMC) Acetylides.","Inorganic chemistry","2015","54","20","10058","10064","10.1021/acs.inorgchem.5b01883","","","1.54178","CuKα","","0.0735","0.063","","","0.1798","0.191","","","","","","1.105","","","","has coordinates,has disorder","231902","2020-10-21","18:00:00",""
"4346648","34.9992","0.0014","8.4194","0.0003","16.7834","0.0005","90","","93.714","0.003","90","","4935.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Cl N4 Ni O1.5 -","- C22 H40 Cl N4 Ni O1.5 -","- C176 H320 Cl8 N32 Ni8 O12 -","8","1","","Tyler, Sarah F.; Natoli, Sean N.; Vlaisavljevich, Bess; Fanwick, Phillip E.; Ren, Tong","Turning a New Leaf on Metal-TMC Chemistry: Ni(II)(TMC) Acetylides.","Inorganic chemistry","2015","54","20","10058","10064","10.1021/acs.inorgchem.5b01883","","","1.54178","CuKα","","0.0407","0.0384","","","0.1045","0.1072","","","","","","1.132","","","","has coordinates","231902","2020-10-21","18:00:00",""
"4346649","18.7849","0.0008","8.3978","0.0004","14.8663","0.0005","90","","90","","90","","2345.19","0.17","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C19 H33 F3 N4 Ni O3 S -","- C19 H33 F3 N4 Ni O3 S -","- C76 H132 F12 N16 Ni4 O12 S4 -","4","1","","Tyler, Sarah F.; Natoli, Sean N.; Vlaisavljevich, Bess; Fanwick, Phillip E.; Ren, Tong","Turning a New Leaf on Metal-TMC Chemistry: Ni(II)(TMC) Acetylides.","Inorganic chemistry","2015","54","20","10058","10064","10.1021/acs.inorgchem.5b01883","","","1.54178","CuKα","","0.0528","0.0397","","","0.1064","0.1214","","","","","","1.142","","","","has coordinates","231902","2020-10-21","18:00:00",""
"4346650","18.448","0.001","20.356","0.002","17.192","0.001","90","","90","","90","","6456.1","0.8","230","","230","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C45 H84 Cr F Ni2 O18 -","- C45 H85.5 Cr0.9999 F Ni2.0001 O18 -","- C180 H342 Cr3.9996 F4 Ni8.0004 O72 -","4","0.25","","Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin; Smith, William F.; Graham, Darren M.; Kihara, Takumi; Nojiri, Hiroyuki; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.","Inorganic chemistry","2015","54","24","12019","12026","10.1021/acs.inorgchem.5b01898","","","0.71073","MoKα","","0.072","0.0634","","","0.1907","0.2017","","","","","","1.061","","","","has coordinates,has disorder","231903","2020-10-21","18:00:00",""
"4346651","22.3995","0.0004","22.9275","0.0003","22.7329","0.0005","90","","113.317","0.002","90","","10721.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 Cr F N3 Ni2 O12 -","- C45 H69 Cr F N3 Ni2 O12 -","- C360 H552 Cr8 F8 N24 Ni16 O96 -","8","2","","Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin; Smith, William F.; Graham, Darren M.; Kihara, Takumi; Nojiri, Hiroyuki; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.","Inorganic chemistry","2015","54","24","12019","12026","10.1021/acs.inorgchem.5b01898","","","0.7107","MoKα","","0.0861","0.0493","","","0.1035","0.1225","","","","","","1.045","","","","has coordinates,has disorder","231903","2020-10-21","18:00:00",""
"4346652","11.6137","0.0008","20.4729","0.0011","12.3998","0.0009","90","","107.789","0.008","90","","2807.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H75 Cr F N3 Ni2 O12 -","- C48 H75 Cr F N3 Ni2 O12 -","- C96 H150 Cr2 F2 N6 Ni4 O24 -","2","1","","Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin; Smith, William F.; Graham, Darren M.; Kihara, Takumi; Nojiri, Hiroyuki; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.","Inorganic chemistry","2015","54","24","12019","12026","10.1021/acs.inorgchem.5b01898","","","0.71073","MoKα","","0.0996","0.0738","","","0.1683","0.1983","","","","","","1.073","","","","has coordinates,has disorder","231903","2020-10-21","18:00:00",""
"4346653","11.54","0.003","16.778","0.004","28.468","0.008","90","","90","","90","","5512","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","CuCPB1","","- C57 H47 Cu3 N3 O16 -","- C57 H47 Cu3 N3 O16 -","- C228 H188 Cu12 N12 O64 -","4","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu","Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.","Inorganic chemistry","2015","54","20","10065","10072","10.1021/acs.inorgchem.5b01900","","","1.54178","CuKα","","0.1413","0.1289","","","0.2992","0.309","","","","","","1.07","","","","has coordinates","231904","2020-10-21","18:00:00",""
"4346654","11.8582","0.0006","28.064","0.0012","16.7331","0.0008","90","","96.876","0.002","90","","5528.5","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","MgCPB","","- C59 H55 Mg2 N O16 -","- C59 H55 Mg2 N O16 -","- C236 H220 Mg8 N4 O64 -","4","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu","Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.","Inorganic chemistry","2015","54","20","10065","10072","10.1021/acs.inorgchem.5b01900","","","1.54178","CuKα","","0.1425","0.0977","","","0.2409","0.2722","","","","","","1.018","","","","has coordinates,has disorder","231905","2020-10-21","18:00:00",""
"4346655","16.2264","0.0003","29.4379","0.0006","12.4371","0.0003","90","","123.028","0.001","90","","4980.83","0.19","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","NiCPB","","- C48 H24 Ni2 O12 -","- C48 H24 Ni2 O12 -","- C192 H96 Ni8 O48 -","4","0.5","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu","Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.","Inorganic chemistry","2015","54","20","10065","10072","10.1021/acs.inorgchem.5b01900","","","1.54178","CuKα","","0.0784","0.055","","","0.1363","0.1464","","","","","","1.034","","","","has coordinates","231906","2020-10-21","18:00:00",""
"4346656","12.6325","0.0004","17.4726","0.0006","27.9667","0.0009","91.275","0.002","92.433","0.002","106.1","0.002","5921.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","CuCPB2","","- C63 H61 Cu3 N3 O17 -","- C63 H61 Cu3 N3 O17 -","- C252 H244 Cu12 N12 O68 -","4","2","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu","Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.","Inorganic chemistry","2015","54","20","10065","10072","10.1021/acs.inorgchem.5b01900","","","1.54178","CuKα","","0.1312","0.1072","","","0.21","0.2201","","","","","","1.148","","","","has coordinates","231907","2020-10-21","18:00:00",""
"4346670","13.7634","0.0003","15.9262","0.0005","23.439","0.0006","71.315","0.001","82.832","0.001","83.379","0.001","4813.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C184 H110 F40 Ir4 N24 O3 P4 -","- C184 H104 F40 Ir4 N24 O3 P4 -","- C184 H104 F40 Ir4 N24 O3 P4 -","1","0.5","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.065","0.04","","","0.1107","0.1194","","","","","","1.073","","","","has coordinates,has disorder","231913","2020-10-21","18:00:00",""
"4346671","21.6255","0.0005","25.9383","0.0006","39.2268","0.0008","90","","90","","90","","22003.4","0.8","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C32.8 H20 Br2 F10 Ir N4 O0.2 P -","- C32.8 H20 Br2 F10 Ir N4 O0.2 P -","- C656 H400 Br40 F200 Ir20 N80 O4 P20 -","20","2.5","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.1139","0.054","","","0.1039","0.1163","","","","","","1.056","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4346672","15.0314","0.0003","33.2661","0.0007","11.2295","0.0003","90","","97.85","0.0011","90","","5562.5","0.2","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2 -","- C97 H65 Cd2 Cl2 F8 I6 Ir2 N12 O2 -","- C194 H130 Cd4 Cl4 F16 I12 Ir4 N24 O4 -","2","0.25","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.0664","0.0483","","","0.1434","0.1545","","","","","","1.078","","","","has coordinates","231913","2020-10-21","18:00:00",""
"4346673","14.8505","0.0004","33.5574","0.0011","11.3102","0.0003","90","","97.772","0.001","90","","5584.6","0.3","173","2","173","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C47 H30 Cd F4 I3 Ir N6 O -","- C47 H30 Cd F4 I3 Ir N6 O -","- C188 H120 Cd4 F16 I12 Ir4 N24 O4 -","4","1","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.0448","0.0327","","","0.0942","0.0987","","","","","","1.057","","","","has coordinates,has disorder","231913","2020-10-21","18:00:00",""
"4346674","11.444","0.002","17.992","0.004","18.959","0.004","109.99","0.03","97.14","0.03","90.58","0.03","3634.2","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H104 Cu F48 N18 O40 Tb2 -","- C118 H104 Cu F48 N18 O40 Tb2 -","- C118 H104 Cu F48 N18 O40 Tb2 -","1","0.5","","Wang, Juan-Juan; Sun, Juan; Yang, Meng; Li, Li-Cun","Tuning Magnetic Relaxation in a Tb-Nitronyl Nitroxide Complex by Using Cocrystalline Paramagnetic Complex.","Inorganic chemistry","2015","54","23","11307","11313","10.1021/acs.inorgchem.5b01915","","","0.71073","MoKα","","0.1311","0.085","","","0.194","0.23","","","","","","1.013","","","","has coordinates,has disorder","231914","2020-10-21","18:00:00",""
"4346675","11.419","0.002","17.926","0.004","18.868","0.004","110.1","0.03","96.99","0.03","90.66","0.03","3594.1","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H104 Cu F48 Gd2 N18 O40 -","- C118 H104 Cu F48 Gd2 N18 O40 -","- C118 H104 Cu F48 Gd2 N18 O40 -","1","0.5","","Wang, Juan-Juan; Sun, Juan; Yang, Meng; Li, Li-Cun","Tuning Magnetic Relaxation in a Tb-Nitronyl Nitroxide Complex by Using Cocrystalline Paramagnetic Complex.","Inorganic chemistry","2015","54","23","11307","11313","10.1021/acs.inorgchem.5b01915","","","0.71073","MoKα","","0.0937","0.0716","","","0.1731","0.1923","","","","","","1.007","","","","has coordinates,has disorder","231915","2020-10-21","18:00:00",""
"4346676","11.919","0.002","12.667","0.003","18.811","0.004","83.44","0.03","74.38","0.03","84.24","0.03","2710.1","1.1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H86 F36 N12 O28 Tb2 -","- C89 H86 F36 N12 O28 Tb2 -","- C89 H86 F36 N12 O28 Tb2 -","1","0.5","","Wang, Juan-Juan; Sun, Juan; Yang, Meng; Li, Li-Cun","Tuning Magnetic Relaxation in a Tb-Nitronyl Nitroxide Complex by Using Cocrystalline Paramagnetic Complex.","Inorganic chemistry","2015","54","23","11307","11313","10.1021/acs.inorgchem.5b01915","","","0.71073","MoKα","","0.0303","0.0278","","","0.0812","0.0832","","","","","","1.036","","","","has coordinates,has disorder","231916","2020-10-21","18:00:00",""
"4346677","11.3767","0.0004","13.8414","0.0007","18.9787","0.0007","104.774","0.004","101.173","0.003","101.683","0.004","2733.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H98 Cl4 Mo4 N14 O14 -","- C104 H98 Cl4 Mo4 N14 O14 -","- C104 H98 Cl4 Mo4 N14 O14 -","1","0.5","","Zhang, Hong Li; Zhu, Guang Yuan; Wang, Gangyi; Meng, Miao; Liu, Chun Y.; Lei, Hao","Electronic Coupling in [Mo2]-Bridge-[Mo2] Systems with Twisted Bridges.","Inorganic chemistry","2015","54","23","11314","11322","10.1021/acs.inorgchem.5b01923","","","1.54178","CuKα","","0.0858","0.0641","","","0.1711","0.1869","","","","","","1.059","","","","has coordinates,has disorder","231917","2020-10-21","18:00:00",""
"4346678","11.3795","0.0006","13.3623","0.0008","18.6024","0.0011","101.421","0.005","98.685","0.005","98.148","0.005","2697.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H108 Mo4 N12 O16.5 S4 -","- C106 H108 Mo4 N12 O16.5 S4 -","- C106 H108 Mo4 N12 O16.5 S4 -","1","0.5","","Zhang, Hong Li; Zhu, Guang Yuan; Wang, Gangyi; Meng, Miao; Liu, Chun Y.; Lei, Hao","Electronic Coupling in [Mo2]-Bridge-[Mo2] Systems with Twisted Bridges.","Inorganic chemistry","2015","54","23","11314","11322","10.1021/acs.inorgchem.5b01923","","","1.54178","CuKα","","0.0904","0.0685","","","0.1713","0.1863","","","","","","1.09","","","","has coordinates,has disorder","231917","2020-10-21","18:00:00",""
"4346679","7.825","0.001","8.21","0.001","8.235","0.001","78.93","0.01","68.33","0.01","84.56","0.01","482.34","0.11","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C16 H16 Hg N2 O8 S2 -","- C16 H16 Hg N2 O8 S2 -","- C16 H16 Hg N2 O8 S2 -","1","0.5","","Manceau, Alain; Lemouchi, Cyprien; Rovezzi, Mauro; Lanson, Martine; Glatzel, Pieter; Nagy, Kathryn L.; Gautier-Luneau, Isabelle; Joly, Yves; Enescu, Mironel","Structure, Bonding, and Stability of Mercury Complexes with Thiolate and Thioether Ligands from High-Resolution XANES Spectroscopy and First-Principles Calculations.","Inorganic chemistry","2015","54","24","11776","11791","10.1021/acs.inorgchem.5b01932","","x-ray","0.56087","AgKα","","0.0476","0.0446","","","0.1062","0.1088","","","","","","1.08","","","","has coordinates","231918","2020-10-21","18:00:00",""
"4346680","11.6664","0.0006","14.9859","0.0008","19.4221","0.0011","75.584","0.005","75.343","0.005","87.679","0.004","3180.7","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Co3 N4 O12 -","- C49 H35 Co3 N4 O12 -","- C98 H70 Co6 N8 O24 -","2","1","","Wang, Jian-Cheng; Ding, Feng-Wen; Ma, Jian-Ping; Liu, Qi-Kui; Cheng, Jun-Yan; Dong, Yu-Bin","Co(II)-MOF: A Highly Efficient Organic Oxidation Catalyst with Open Metal Sites.","Inorganic chemistry","2015","54","22","10865","10872","10.1021/acs.inorgchem.5b01938","","x-ray","0.71073","MoKα","","0.0509","0.0396","","","0.1049","0.1123","","","","","","1.038","","","","has coordinates","231919","2020-10-21","18:00:00",""
"4346681","11.5791","0.0004","15.2623","0.0006","19.2483","0.0009","70.394","0.004","76.587","0.003","82.732","0.003","3112.6","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H38 Co3 N4 O13 -","- C49.5 H38 Co3 N4 O13 -","- C99 H76 Co6 N8 O26 -","2","1","","Wang, Jian-Cheng; Ding, Feng-Wen; Ma, Jian-Ping; Liu, Qi-Kui; Cheng, Jun-Yan; Dong, Yu-Bin","Co(II)-MOF: A Highly Efficient Organic Oxidation Catalyst with Open Metal Sites.","Inorganic chemistry","2015","54","22","10865","10872","10.1021/acs.inorgchem.5b01938","","x-ray","1.54184","CuKα","","0.0781","0.0552","","","0.1453","0.1544","","","","","","1.046","","","","has coordinates,has disorder","231920","2020-10-21","18:00:00",""
"4346682","11.5784","0.0007","15.3081","0.0012","19.258","0.0011","70.388","0.006","76.659","0.005","83.048","0.006","3125","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Co3 N4 O13 -","- C50 H39 Co3 N4 O13 -","- C100 H78 Co6 N8 O26 -","2","1","","Wang, Jian-Cheng; Ding, Feng-Wen; Ma, Jian-Ping; Liu, Qi-Kui; Cheng, Jun-Yan; Dong, Yu-Bin","Co(II)-MOF: A Highly Efficient Organic Oxidation Catalyst with Open Metal Sites.","Inorganic chemistry","2015","54","22","10865","10872","10.1021/acs.inorgchem.5b01938","","x-ray","1.54184","CuKα","","0.1066","0.0706","","","0.1768","0.1979","","","","","","0.945","","","","has coordinates","231921","2020-10-21","18:00:00",""
"4346683","20.79","0.003","13.234","0.002","30.305","0.003","90","","100.99","0.01","90","","8185","1.9","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C123 H168 Cl12 Co6 O40 P12 -","- C123 H168 Cl12 Co6 O40 P12 -","- C246 H336 Cl24 Co12 O80 P24 -","2","0.5","","Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek","Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers.","Inorganic chemistry","2015","54","22","10568","10575","10.1021/acs.inorgchem.5b01939","","","0.71073","MoKα","","0.2003","0.0668","","","0.126","0.177","","","","","","1.02","","","","has coordinates","231922","2020-10-21","18:00:00",""
"4346684","20.7866","0.001","13.3229","0.0006","30.693","0.0015","90","","100.646","0.005","90","","8353.7","0.7","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C123 H176 Br12 Co6 O40 P12 -","- C123 H176 Br12 Co6 O40 P12 -","- C246 H352 Br24 Co12 O80 P24 -","2","0.5","","Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek","Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers.","Inorganic chemistry","2015","54","22","10568","10575","10.1021/acs.inorgchem.5b01939","","","0.71073","MoKα","","0.1886","0.053","","","0.0743","0.0803","","","","","","1.009","","","","has coordinates","231922","2020-10-21","18:00:00",""
"4346685","8.5966","0.001","23.621","0.003","9.6039","0.0011","90","","97.033","0.006","90","","1935.5","0.4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Al Cl N4 O2 -","- C18 H26 Al Cl N4 O2 -","- C72 H104 Al4 Cl4 N16 O8 -","4","1","","Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.","Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.","Inorganic chemistry","2015","54","22","10901","10908","10.1021/acs.inorgchem.5b01941","","","0.71073","MoKα","","0.044","0.032","","","0.0769","0.0833","","","","","","1.016","","","","has coordinates","231923","2020-10-21","18:00:00",""
"4346686","17.6435","0.0006","8.6012","0.0003","44.327","0.0016","90","","93.585","0.002","90","","6713.7","0.4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Al Cl N4 O2 -","- C20 H30 Al Cl N4 O2 -","- C240 H360 Al12 Cl12 N48 O24 -","12","3","","Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.","Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.","Inorganic chemistry","2015","54","22","10901","10908","10.1021/acs.inorgchem.5b01941","","","0.71073","MoKα","","0.05","0.0373","","","0.0861","0.0916","","","","","","1.034","","","","has coordinates","231923","2020-10-21","18:00:00",""
"4346687","11.8663","0.0009","8.8006","0.0006","26.587","0.002","90","","100.472","0.004","90","","2730.2","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H28 Al Cl F6 N4 O2 -","- C23.5 H28 Al Cl F6 N4 O2 -","- C94 H112 Al4 Cl4 F24 N16 O8 -","4","1","","Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.","Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.","Inorganic chemistry","2015","54","22","10901","10908","10.1021/acs.inorgchem.5b01941","","","0.71073","MoKα","","0.167","0.1257","","","0.3185","0.3443","","","","","","1.141","","","","has coordinates,has disorder","231923","2020-10-21","18:00:00",""
"4346688","13.214","0.002","12.694","0.002","27.138","0.005","90","","102.217","0.009","90","","4449","1.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Al B N4 O4 -","- C50 H62 Al B N4 O4 -","- C200 H248 Al4 B4 N16 O16 -","4","1","","Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.","Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.","Inorganic chemistry","2015","54","22","10901","10908","10.1021/acs.inorgchem.5b01941","","","0.71073","MoKα","","0.0749","0.0474","","","0.1116","0.1266","","","","","","1.008","","","","has coordinates","231923","2020-10-21","18:00:00",""
"4346689","9.8","0.0019","13.708","0.003","5.1576","0.0011","90","","90","","90","","692.9","0.3","100","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C H8 B N -","- C H8 B N -","- C8 H64 B8 N8 -","8","1","","Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian","B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.","Inorganic chemistry","2015","54","22","10878","10889","10.1021/acs.inorgchem.5b01946","","","1.54178","CuKα","","0.0274","0.0274","","","0.0739","0.0739","","","","","","1.096","","","","has coordinates","231924","2020-10-21","18:00:00",""
"4346690","8.697","0.006","7.939","0.005","14.175","0.01","90","","90","","90","","978.7","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H10 B N -","- C2 H10 B N -","- C16 H80 B8 N8 -","8","1","","Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian","B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.","Inorganic chemistry","2015","54","22","10878","10889","10.1021/acs.inorgchem.5b01946","","","0.71073","MoKα","","0.1074","0.0582","","","0.135","0.1608","","","","","","1.063","","","","has coordinates","231925","2020-10-21","18:00:00",""
"4346691","7.8792","0.0002","15.2145","0.0005","7.9608","0.0002","90","","102.214","0.002","90","","932.72","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H20 B N -","- C7 H20 B N -","- C28 H80 B4 N4 -","4","1","","Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian","B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.","Inorganic chemistry","2015","54","22","10878","10889","10.1021/acs.inorgchem.5b01946","","","0.71073","MoKα","","0.0894","0.0483","","","0.1185","0.1362","","","","","","1.039","","","","has coordinates","231926","2020-10-21","18:00:00",""
"4346692","14.6118","0.0009","9.9196","0.0006","14.6848","0.0009","90","","101.347","0.001","90","","2086.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl Co Cu N7 -","- C21 H24 Cl Co Cu N7 -","- C84 H96 Cl4 Co4 Cu4 N28 -","4","1","","Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.","Inorganic chemistry","2015","54","23","11330","11338","10.1021/acs.inorgchem.5b01950","","","0.41328","synchrotron","","0.0357","0.029","","","0.068","0.072","","","","","","1.032","","","","has coordinates","231927","2020-10-21","18:00:00",""
"4346693","10.9862","0.0003","29.3334","0.0008","10.0177","0.0003","90","","109.553","0.001","90","","3042.16","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Py3trenCoCuACN","","","- C29 H36 Co Cu N11 -","- C29 H36 Co Cu N11 -","- C116 H144 Co4 Cu4 N44 -","4","1","","Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.","Inorganic chemistry","2015","54","23","11330","11338","10.1021/acs.inorgchem.5b01950","","","0.41328","synchrotron","","0.0432","0.0319","","","0.1017","0.1318","","","","","","1.357","","","","has coordinates","231927","2020-10-21","18:00:00",""
"4346694","18.8953","0.0017","18.8953","0.0017","11.191","0.0011","90","","90","","120","","3460.2","0.6","100","2","100","2","","","","","","","","5","P 61","P 61","169","13242","","","- C21 H24 Co Cu N7 -","- C21 H24 Co Cu N7 -","- C126 H144 Co6 Cu6 N42 -","6","1","","Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.","Inorganic chemistry","2015","54","23","11330","11338","10.1021/acs.inorgchem.5b01950","","","0.41328","","","0.0931","0.0578","","","0.1134","0.1241","","","","","","0.946","","","","has coordinates","231927","2020-10-21","18:00:00",""
"4346695","7.0274","0.0003","14.6548","0.0006","12.4091","0.0007","90","","111.071","0.005","90","","1192.5","0.11","450","","450","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 Zn -","- C14 H10 N2 O3 Zn -","- C56 H40 N8 O12 Zn4 -","4","1","","Wu, Jing-Yun; Chang, Ching-Yun; Tsai, Chi-Jou; Lee, Jey-Jau","Reversible Single-Crystal to Single-Crystal Transformations of a Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in Coordination Sphere and Network Dimensionality upon Dehydration and Rehydration.","Inorganic chemistry","2015","54","22","10918","10924","10.1021/acs.inorgchem.5b01963","powder diffraction","x-ray","0.77491","","","0.0446","0.0446","","0.0499","0.0499","","","","1.28","","","","","","","has coordinates","231928","2020-10-21","18:00:00",""
"4346696","8.1207","0.0003","12.9053","0.0005","13.7086","0.0005","90","","111.091","0.004","90","","1340.42","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 Zn -","- C14 H12 N2 O4 Zn -","- C56 H48 N8 O16 Zn4 -","4","1","","Wu, Jing-Yun; Chang, Ching-Yun; Tsai, Chi-Jou; Lee, Jey-Jau","Reversible Single-Crystal to Single-Crystal Transformations of a Zn(II)-Salicyaldimine Coordination Polymer Accompanying Changes in Coordination Sphere and Network Dimensionality upon Dehydration and Rehydration.","Inorganic chemistry","2015","54","22","10918","10924","10.1021/acs.inorgchem.5b01963","","","0.71073","MoKα","","0.0437","0.0322","","","0.0669","0.0724","","","","","","1.037","","","","has coordinates","231929","2020-10-21","18:00:00",""
"4346697","30.8827","0.0012","8.0912","0.0003","21.0669","0.0008","90","","107.723","0.001","90","","5014.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H16 Ag2 Cl12 N6 O18 U2 -","- C36 H16 Ag2 Cl12 N6 O18 U2 -","- C144 H64 Ag8 Cl48 N24 O72 U8 -","4","1","","Mei, Lei; Wu, Qun-yan; An, Shu-wen; Gao, Zeng-qiang; Chai, Zhi-fang; Shi, Wei-qun","Silver Ion-Mediated Heterometallic Three-Fold Interpenetrating Uranyl-Organic Framework.","Inorganic chemistry","2015","54","22","10934","10945","10.1021/acs.inorgchem.5b01988","","","0.71073","MoKα","","0.049","0.0324","","","0.057","0.0617","","","","","","1.009","","","","has coordinates","231930","2020-10-21","18:00:00",""
"4346698","6.923","0.0014","14.227","0.003","20.203","0.004","90","","90","0.03","90","","1989.9","0.7","293","2","293","2","","","","","","","","6","P n a b","-P 2bc 2n","60","","","","- C12 H10 Cl4 Cu N2 O7 -","- C12 H10 Cl4 Cu N2 O7 -","- C48 H40 Cl16 Cu4 N8 O28 -","4","0.5","","Mei, Lei; Wu, Qun-yan; An, Shu-wen; Gao, Zeng-qiang; Chai, Zhi-fang; Shi, Wei-qun","Silver Ion-Mediated Heterometallic Three-Fold Interpenetrating Uranyl-Organic Framework.","Inorganic chemistry","2015","54","22","10934","10945","10.1021/acs.inorgchem.5b01988","","","0.71073","MoKα","","0.0375","0.0357","","","0.0969","0.0981","","","","","","1.095","","","","has coordinates","231930","2020-10-21","18:00:00",""
"4346714","9.0687","0.0003","7.6924","0.0003","9.8492","0.0004","90","","90.754","0.003","90","","687.02","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Fe N6 -","- C16 H14 Fe N6 -","- C32 H28 Fe2 N12 -","2","0.5","","López-Cabrelles, Javier; Giménez-Marqués, Mónica; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Solvent-Free Synthesis of a Pillared Three-Dimensional Coordination Polymer with Magnetic Ordering.","Inorganic chemistry","2015","54","21","10490","10496","10.1021/acs.inorgchem.5b02003","","","0.71073","MoKα","","0.0348","0.025","","","0.0663","0.0676","","","","","","0.946","","","","has coordinates","231934","2020-10-21","18:00:00",""
"4346715","16.4644","0.0007","15.4726","0.0008","15.2508","0.0009","90","","90","","90","","3885.1","0.3","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 V -","- C36 H72 N4 V -","- C144 H288 N16 V4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0671","0.0402","","","0.0958","0.1078","","","","","","1.021","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346716","16.5514","0.001","15.5926","0.0008","15.375","0.0008","90","","90","","90","","3968","0.4","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 Nb -","- C36 H72 N4 Nb -","- C144 H288 N16 Nb4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0883","0.0396","","","0.0533","0.0584","","","","","","1.282","","","","has coordinates,has disorder","231935","2020-10-21","18:00:00",""
"4346717","14.503","0.003","7.4837","0.0014","11.782","0.002","90","","90","","90","","1278.8","0.4","104","2","104","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 N2 Ta -","- C6 H16 Cl4 N2 Ta -","- C24 H64 Cl16 N8 Ta4 -","4","1","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0573","0.0389","","","0.1078","0.1211","","","","","","0.822","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346718","9.9737","0.0006","12.9792","0.0009","16.3112","0.0009","90","","101.266","0.004","90","","2070.8","0.2","116","2","116","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 Cl12 N4 Ta3 -","- C26 H48 Cl12 N4 Ta3 -","- C52 H96 Cl24 N8 Ta6 -","2","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0408","0.0257","","","0.047","0.0511","","","","","","0.979","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346719","21.4013","0.0009","20.4381","0.0006","21.027","0.0007","90","","119.251","0.002","90","","8024.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cl N4 Ta -","- C36 H72 Cl N4 Ta -","- C288 H576 Cl8 N32 Ta8 -","8","2","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.1187","0.0506","","","0.0942","0.1176","","","","","","0.924","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346720","12.1493","0.0006","19.4996","0.0011","18.1579","0.0009","90","","93.733","0.002","90","","4292.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H72 F3 N4 O3 S Ta -","- C37 H66 F3 N4 O3 S Ta -","- C148 H264 F12 N16 O12 S4 Ta4 -","4","1","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0511","0.0317","","","0.0616","0.0666","","","","","","1.045","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346721","16.5585","0.0015","15.5818","0.0015","15.3453","0.0015","90","","90","","90","","3959.3","0.7","103","2","103","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H72 N4 Ta -","- C36 H72 N4 Ta -","- C144 H288 N16 Ta4 -","4","0.5","","Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.","Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).","Inorganic chemistry","2015","54","20","10081","10095","10.1021/acs.inorgchem.5b02017","","","0.71073","MoKα","","0.0603","0.0245","","","0.0466","0.0554","","","","","","0.96","","","","has coordinates","231935","2020-10-21","18:00:00",""
"4346724","7.7818","0.0008","9.6471","0.0006","9.7496","0.0008","117.253","0.004","91.954","0.007","107.325","0.006","608.49","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H11 I3 N2 -","- C6 H11 I3 N2 -","- C12 H22 I6 N4 -","2","1","","Fei, Zhaofu; Bobbink, Félix D; Păunescu, Emilia; Scopelliti, Rosario; Dyson, Paul J.","Influence of Elemental Iodine on Imidazolium-Based Ionic Liquids: Solution and Solid-State Effects.","Inorganic chemistry","2015","54","21","10504","10512","10.1021/acs.inorgchem.5b02021","","","0.71073","MoKα","","0.0239","0.0203","","","0.044","0.0451","","","","","","1.212","","","","has coordinates","231938","2020-10-21","18:00:00",""
"4346725","7.3285","0.0014","9.604","0.0013","9.831","0.004","99.57","0.02","100.46","0.02","98.957","0.017","658.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H11 I3 N2 -","- C7 H11 I3 N2 -","- C14 H22 I6 N4 -","2","1","","Fei, Zhaofu; Bobbink, Félix D; Păunescu, Emilia; Scopelliti, Rosario; Dyson, Paul J.","Influence of Elemental Iodine on Imidazolium-Based Ionic Liquids: Solution and Solid-State Effects.","Inorganic chemistry","2015","54","21","10504","10512","10.1021/acs.inorgchem.5b02021","","","0.71073","MoKα","","0.0892","0.0783","","","0.2278","0.2379","","","","","","1.182","","","","has coordinates","231938","2020-10-21","18:00:00",""
"4346726","18.508","0.004","14.61","0.003","13.627","0.003","90","","90","","90","","3684.8","1.4","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 I7 N2 -","- C5 H9 I7 N2 -","- C40 H72 I56 N16 -","8","1","","Fei, Zhaofu; Bobbink, Félix D; Păunescu, Emilia; Scopelliti, Rosario; Dyson, Paul J.","Influence of Elemental Iodine on Imidazolium-Based Ionic Liquids: Solution and Solid-State Effects.","Inorganic chemistry","2015","54","21","10504","10512","10.1021/acs.inorgchem.5b02021","","","0.71073","MoKα","","0.0913","0.0775","","","0.2101","0.2556","","","","","","1.155","","","","has coordinates","231938","2020-10-21","18:00:00",""
"4346727","11.2942","0.0005","18.3235","0.0008","15.8967","0.0007","90","","99.077","0.001","90","","3248.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis[bis(diisopropylphosphino)amido]indium chloride","","","- C24 H56 Cl In N2 P4 -","- C24 H56 Cl In N2 P4 -","- C96 H224 Cl4 In4 N8 P16 -","4","1","","Dickie, Diane A.; Barker, Madeline T.; Land, Michael A.; Hughes, Kira E.; Clyburne, Jason A. C.; Kemp, Richard A.","Rapid, Reversible, Solid-Gas and Solution-Phase Insertion of CO2 into In-P Bonds.","Inorganic chemistry","2015","54","23","11121","11126","10.1021/acs.inorgchem.5b02031","","","0.71073","MoKα","","0.0266","0.0206","","","0.0474","0.0497","","","","","","1.033","","","","has coordinates","231939","2020-10-21","18:00:00",""
"4346728","18.9863","0.0006","12.2031","0.0004","15.6316","0.0005","90","","102.349","0.002","90","","3537.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 Cl In N2 O4 P4 -","- C26 H56 Cl In N2 O4 P4 -","- C104 H224 Cl4 In4 N8 O16 P16 -","4","1","","Dickie, Diane A.; Barker, Madeline T.; Land, Michael A.; Hughes, Kira E.; Clyburne, Jason A. C.; Kemp, Richard A.","Rapid, Reversible, Solid-Gas and Solution-Phase Insertion of CO2 into In-P Bonds.","Inorganic chemistry","2015","54","23","11121","11126","10.1021/acs.inorgchem.5b02031","","","0.71073","MoKα","","0.0274","0.0229","","","0.0547","0.0569","","","","","","1.034","","","","has coordinates,has disorder","231939","2020-10-21","18:00:00",""
"4346729","15.137","0.0006","20.4781","0.0009","18.4774","0.0009","90","","111.822","0.003","90","","5317.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cl3 In2 N3 P6 S2 -","- C36 H84 Cl3 In2 N3 P6 S2 -","- C144 H336 Cl12 In8 N12 P24 S8 -","4","1","","Dickie, Diane A.; Barker, Madeline T.; Land, Michael A.; Hughes, Kira E.; Clyburne, Jason A. C.; Kemp, Richard A.","Rapid, Reversible, Solid-Gas and Solution-Phase Insertion of CO2 into In-P Bonds.","Inorganic chemistry","2015","54","23","11121","11126","10.1021/acs.inorgchem.5b02031","","","0.71073","MoKα","","0.146","0.0599","","","0.0975","0.1244","","","","","","0.972","","","","has coordinates","231939","2020-10-21","18:00:00",""
"4346732","10.8554","0.0004","11.4026","0.0005","15.34","0.0006","95.001","0.003","104.463","0.003","93.974","0.003","1823.43","0.13","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 N6 Zn2 -","- C42 H44 N6 Zn2 -","- C84 H88 N12 Zn4 -","2","1","","Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally","Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing.","Inorganic chemistry","2015","54","24","11842","11851","10.1021/acs.inorgchem.5b02038","","","1.54184","CuKα","","0.0412","0.0347","","","0.0932","0.0993","","","","","","1.037","","","","has coordinates,has disorder","231942","2020-10-21","18:00:00",""
"4346733","12.0878","0.0005","12.1033","0.0006","13.5035","0.0005","92.669","0.003","106.799","0.004","108.762","0.004","1769.44","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N6 O2 Zn2 -","- C38 H42 N6 O2 Zn2 -","- C76 H84 N12 O4 Zn4 -","2","1","","Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally","Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing.","Inorganic chemistry","2015","54","24","11842","11851","10.1021/acs.inorgchem.5b02038","","","0.71073","MoKα","","0.051","0.0348","","","0.0751","0.0838","","","","","","1.017","","","","has coordinates,has disorder","231942","2020-10-21","18:00:00",""
"4346734","37.6404","0.0005","16.9073","0.0002","17.4493","0.0002","90","","90.1883","0.0012","90","","11104.6","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 N6 O4 Zn2 -","- C39 H42 N6 O4 Zn2 -","- C468 H504 N72 O48 Zn24 -","12","1.5","","Romain, Charles; Bennington, Michael S.; White, Andrew J. P.; Williams, Charlotte K.; Brooker, Sally","Macrocyclic Dizinc(II) Alkyl and Alkoxide Complexes: Reversible CO2 Uptake and Polymerization Catalysis Testing.","Inorganic chemistry","2015","54","24","11842","11851","10.1021/acs.inorgchem.5b02038","","","1.54184","CuKα","","0.0543","0.0443","","","0.1379","0.1465","","","","","","1.066","","","","has coordinates,has disorder","231942","2020-10-21","18:00:00",""
"4346737","14.8893","0.0006","32.5977","0.0013","21.8979","0.0013","90","","100.321","0.003","90","","10456.3","0.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H134 Cl10 N14 O4 Ru2 -","- C96 H114 Cl10 N14 O4 Ru2 -","- C384 H456 Cl40 N56 O16 Ru8 -","4","1","","Yamagishi, Hiroaki; Nabeya, Shohei; Ikariya, Takao; Kuwata, Shigeki","Protic Ruthenium Tris(pyrazol-3-ylmethyl)amine Complexes Featuring a Hydrogen-Bonding Network in the Second Coordination Sphere.","Inorganic chemistry","2015","54","24","11584","11586","10.1021/acs.inorgchem.5b02044","","","0.71075","MoKα","","","0.0698","","","","0.174","","","","","","1","","","","has coordinates","231944","2020-10-21","18:00:00",""
"4346738","14.674","0.003","23.254","0.004","16.722","0.003","90","","114.554","0.0018","90","","5190","1.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl2 N7 P Ru -","- C57 H60 Cl2 N7 P Ru -","- C228 H240 Cl8 N28 P4 Ru4 -","4","1","","Yamagishi, Hiroaki; Nabeya, Shohei; Ikariya, Takao; Kuwata, Shigeki","Protic Ruthenium Tris(pyrazol-3-ylmethyl)amine Complexes Featuring a Hydrogen-Bonding Network in the Second Coordination Sphere.","Inorganic chemistry","2015","54","24","11584","11586","10.1021/acs.inorgchem.5b02044","","","0.71075","MoKα","","","0.042","","","","0.1133","","","","","","1","","","","has coordinates","231944","2020-10-21","18:00:00",""
"4346739","9.924","0.003","10.888","0.003","21.297","0.005","101.618","0.004","93.014","0.004","90.679","0.004","2250.3","1.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H57 Cl2 N8 O0.5 Ru -","- C47 H52 Cl2 N8 O0.5 Ru -","- C94 H104 Cl4 N16 O Ru2 -","2","1","","Yamagishi, Hiroaki; Nabeya, Shohei; Ikariya, Takao; Kuwata, Shigeki","Protic Ruthenium Tris(pyrazol-3-ylmethyl)amine Complexes Featuring a Hydrogen-Bonding Network in the Second Coordination Sphere.","Inorganic chemistry","2015","54","24","11584","11586","10.1021/acs.inorgchem.5b02044","","","0.71075","MoKα","","","0.0519","","","","0.1589","","","","","","1","","","","has coordinates","231944","2020-10-21","18:00:00",""
"4346740","7.884","0.0005","9.8706","0.0006","15.298","0.001","75.978","0.001","75.447","0.001","68.872","0.001","1059.55","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Curium(III) Dipicolonic Acid","","","- C28 H35 Cl4 Cm2 N4 O25 -","- C28 H35 Cl4 Cm2 N4 O25 -","- C28 H35 Cl4 Cm2 N4 O25 -","1","0.5","","Cary, Samantha K.; Silver, Mark A.; Liu, Guokui; Wang, Jamie C.; Bogart, Justin A.; Stritzinger, Jared T.; Arico, Alexandra A.; Hanson, Kenneth; Schelter, Eric J.; Albrecht-Schmitt, Thomas E","Spontaneous Partitioning of Californium from Curium: Curious Cases from the Crystallization of Curium Coordination Complexes.","Inorganic chemistry","2015","54","23","11399","11404","10.1021/acs.inorgchem.5b02052","","","0.71073","MoKα","","0.0314","0.0286","","","0.0608","0.0616","","","","","","1.223","","","","has coordinates","231945","2020-10-21","18:00:00",""
"4346751","11.5209","0.0012","15.8765","0.0017","24.201","0.003","75.258","0.001","86.507","0.001","74.065","0.001","4116.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H54 Cu3 I3 N9 P3 -","- C75 H54 Cu3 I3 N9 P3 -","- C150 H108 Cu6 I6 N18 P6 -","2","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","0.71073","MoKα","","0.1319","0.0657","","","0.1262","0.1477","","","","","","0.893","","","","has coordinates","231956","2020-10-21","18:00:00",""
"4346752","10.2469","0.0002","13.8978","0.0003","23.3456","0.0004","89.79","0.001","79.542","0.001","84.91","0.001","3256.25","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tris(diphenylphosphanyl)-1,3,5-triazine","","- C39 H30 N3 P3 -","- C39 H30 N3 P3 -","- C156 H120 N12 P12 -","4","2","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","1.54178","CuKα","","0.0727","0.0468","","","0.1031","0.1145","","","","","","1.027","","","","has coordinates","231957","2020-10-21","18:00:00",""
"4346753","13.298","0.003","27.696","0.006","21.44","0.005","90","","98.26","0.003","90","","7814","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C82 H66 Cu3 I3 N8 P6 -","- C82 H66 Cu3 I3 N8 P6 -","- C328 H264 Cu12 I12 N32 P24 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","0.71073","MoKα","","0.0305","0.0281","","","0.0638","0.0655","","","","","","1.026","","","","has coordinates","231958","2020-10-21","18:00:00",""
"4346754","17.192","0.004","18.254","0.004","24.392","0.005","90","","101.724","0.003","90","","7495","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H62 Br3 Cl Cu3 N6 P6 -","- C79 H62 Br3 Cl Cu3 N6 P6 -","- C316 H248 Br12 Cl4 Cu12 N24 P24 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","0.71075","MoKα","","0.0906","0.0662","","","0.1045","0.1144","","","","","","1.116","","","","has coordinates","231959","2020-10-21","18:00:00",""
"4346755","17.5311","0.0003","17.5311","0.0003","23.124","0.0004","90","","90","","120","","6154.77","0.18","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H70 Cl5 Cu3 N8 P6 -","- C84 H70 Cl5 Cu3 N8 P6 -","- C252 H210 Cl15 Cu9 N24 P18 -","3","0.5","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","Self-Assembled Cyclophane-Type Copper(I) Complexes of 2,4,6-Tris(diphenylphosphino)-1,3,5-triazine and Their Catalytic Application.","Inorganic chemistry","2015","54","22","10985","10992","10.1021/acs.inorgchem.5b02075","","","1.54178","CuKα","","0.0478","0.0417","","","0.1014","0.1048","","","","","","1.101","","","","has coordinates,has disorder","231960","2020-10-21","18:00:00",""
"4346756","13.9566","0.0003","13.9566","0.0003","30.4997","0.001","90","","90","","120","","5145","0.2","150","","150","","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C36 H49.5 La1.75 N6 O28.75 Ru -","- C36 La1.75 N6 O28.75 Ru -","- C144 La7 N24 O115 Ru4 -","4","0.333333","","Watanabe, Ayako; Kobayashi, Atsushi; Saitoh, Erika; Nagao, Yuki; Yoshida, Masaki; Kato, Masako","Visualization of Ion Conductivity: Vapochromic Luminescence of an Ion-Conductive Ruthenium(II) Metalloligand-Based Porous Coordination Polymer.","Inorganic chemistry","2015","54","23","11058","11060","10.1021/acs.inorgchem.5b02077","","","0.71075","MoKα","","0.0989","0.0847","","","0.2218","0.2294","","","","","","1.134","","","","has coordinates","231961","2020-10-21","18:00:00",""
"4346758","9.8197","0.0005","12.4059","0.0007","18.3486","0.001","95.645","0.002","94.925","0.002","108.649","0.002","2091.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Cl4 F6 N5 O3 P Re -","- C41 H29 Cl4 F6 N5 O3 P Re -","- C82 H58 Cl8 F12 N10 O6 P2 Re2 -","2","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0228","0.0187","","","0.042","0.0436","","","","","","1.114","","","","has coordinates","231963","2020-10-21","18:00:00",""
"4346759","7.9598","0.0016","14.847","0.003","11.959","0.002","90","","100.12","0.03","90","","1391.3","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H17 Cl4 F6 N3 O3 P Re -","- C22 H17 Cl4 F6 N3 O3 P Re -","- C44 H34 Cl8 F12 N6 O6 P2 Re2 -","2","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0411","0.0324","","","0.0635","0.066","","","","","","1.019","","","","has coordinates,has disorder","231964","2020-10-21","18:00:00",""
"4346760","16.0103","0.0019","21.257","0.003","16.294","0.0019","90","","118.926","0.002","90","","4853.5","1.1","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br Cl4 N2 O3 Re -","- C20 H14 Br Cl4 N2 O3 Re -","- C160 H112 Br8 Cl32 N16 O24 Re8 -","8","2","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0334","0.0258","","","0.0591","0.0613","","","","","","1.045","","","","has coordinates","231965","2020-10-21","18:00:00",""
"4346761","10.3015","0.0006","18.0009","0.001","15.1342","0.0009","90","","106.591","0.002","90","","2689.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl4 N3 O4 Re -","- C25 H24 Cl4 N3 O4 Re -","- C100 H96 Cl16 N12 O16 Re4 -","4","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0242","0.0202","","","0.0367","0.0374","","","","","","1.158","","","","has coordinates,has disorder","231966","2020-10-21","18:00:00",""
"4346762","8.053","0.0004","22.6109","0.0011","12.7831","0.0007","90","","95.891","0.0017","90","","2315.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl4 N2 O4 Re -","- C21 H13 Cl4 N2 O4 Re -","- C84 H52 Cl16 N8 O16 Re4 -","4","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0145","0.0139","","","0.0308","0.031","","","","","","1.207","","","","has coordinates","231967","2020-10-21","18:00:00",""
"4346763","16.252","0.003","15.88","0.003","12.165","0.002","90","","90","","90","","3139.6","1","110","2","110","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C25 H23 Cl4 F6 N3 O3 P Re -","- C25 H23 Cl4 F6 N3 O3 P Re -","- C100 H92 Cl16 F24 N12 O12 P4 Re4 -","4","0.5","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0618","0.0441","","","0.0969","0.1045","","","","","","1.11","","","","has coordinates,has disorder","231968","2020-10-21","18:00:00",""
"4346764","8.0245","0.0006","14.7573","0.0011","11.9344","0.0009","90","","100.46","0.003","90","","1389.79","0.18","105","","105","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl4 F6 Mn N3 O3 P -","- C22 H16 Cl4 F6 Mn N3 O3 P -","- C44 H32 Cl8 F12 Mn2 N6 O6 P2 -","2","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","x-ray","1.34139","GaKα","","0.0442","0.0432","","","0.1182","0.1188","","","","","","1.074","","","","has coordinates,has disorder","231969","2020-10-21","18:00:00",""
"4346765","23.2335","0.0012","15.1665","0.0008","15.4526","0.0008","90","","116.16","0.002","90","","4887.3","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N3 O3 Re -","- C22 H16 Cl4 N3 O3 Re -","- C176 H128 Cl32 N24 O24 Re8 -","8","1","","Yempally, Veeranna; Fan, Wai Yip; Arndtsen, Bruce A.; Bengali, Ashfaq A.","Intramolecular C-C Bond Coupling of Nitriles to a Diimine Ligand in Group 7 Metal Tricarbonyl Complexes.","Inorganic chemistry","2015","54","23","11441","11449","10.1021/acs.inorgchem.5b02087","","","0.71073","MoKα","","0.0388","0.0259","","","0.0574","0.0648","","","","","","1.061","","","","has coordinates","231970","2020-10-21","18:00:00",""
"4346766","11.7715","0.001","40.674","0.002","47.236","0.005","90","","91.518","0.011","90","","22608","3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C170 H108 F78 N41 O3 P13 Pt6 Ru -","- C170 H108 F78 N41 O3 P13 Pt6 Ru -","- C680 H432 F312 N164 O12 P52 Pt24 Ru4 -","4","0.5","","Shi, Pengfei; Coe, Benjamin J.; Sánchez, Sergio; Wang, Daqi; Tian, Yupeng; Nyk, Marcin; Samoc, Marek","Uniting Ruthenium(II) and Platinum(II) Polypyridine Centers in Heteropolymetallic Complexes Giving Strong Two-Photon Absorption.","Inorganic chemistry","2015","54","23","11450","11456","10.1021/acs.inorgchem.5b02089","","x-ray","1.54184","CuKα","","0.169","0.1352","","","0.326","0.3556","","","","","","1.964","","","","has coordinates,has disorder","231971","2020-10-21","18:00:00",""
"4346767","21.0601","0.0005","14.8404","0.0003","14.3469","0.0003","90","","93.746","0.002","90","","4474.4","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 F12 N8 O2 P2 Ru -","- C43 H36 F12 N8 O2 P2 Ru -","- C172 H144 F48 N32 O8 P8 Ru4 -","4","1","","Shi, Pengfei; Coe, Benjamin J.; Sánchez, Sergio; Wang, Daqi; Tian, Yupeng; Nyk, Marcin; Samoc, Marek","Uniting Ruthenium(II) and Platinum(II) Polypyridine Centers in Heteropolymetallic Complexes Giving Strong Two-Photon Absorption.","Inorganic chemistry","2015","54","23","11450","11456","10.1021/acs.inorgchem.5b02089","","","0.71073","MoKα","","0.1604","0.1286","","","0.2971","0.3113","","","","","","1.225","","","","has coordinates,has disorder","231972","2020-10-21","18:00:00",""
"4346768","8.5286","0.0003","22.2375","0.001","23.16","0.0009","73.804","0.004","83.47","0.003","82.994","0.003","4171.9","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H52 F6 N19 O15 P Pt2 Ru -","- C70 H52 F6 N19 O15 P Pt2 Ru -","- C140 H104 F12 N38 O30 P2 Pt4 Ru2 -","2","1","","Shi, Pengfei; Coe, Benjamin J.; Sánchez, Sergio; Wang, Daqi; Tian, Yupeng; Nyk, Marcin; Samoc, Marek","Uniting Ruthenium(II) and Platinum(II) Polypyridine Centers in Heteropolymetallic Complexes Giving Strong Two-Photon Absorption.","Inorganic chemistry","2015","54","23","11450","11456","10.1021/acs.inorgchem.5b02089","","","0.71073","MoKα","","0.1331","0.1037","","","0.2688","0.2993","","","","","","1.051","","","","has coordinates","231973","2020-10-21","18:00:00",""
"4346769","7.6921","0.0017","11.836","0.003","18.457","0.004","90","","95.398","0.004","90","","1672.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N4 Pd -","- C15 H17 Cl2 N4 Pd -","- C60 H68 Cl8 N16 Pd4 -","4","1","","Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.","Inorganic chemistry","2015","54","23","11465","11476","10.1021/acs.inorgchem.5b02110","","","0.71073","MoKα","","0.0385","0.0278","","","0.0716","0.0787","","","","","","0.896","","","","has coordinates","231974","2020-10-21","18:00:00",""
"4346770","10.54","0.005","10.89","0.005","12.786","0.005","96.823","0.005","97.327","0.005","95.295","0.005","1436.7","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl2 N4 Pd -","- C13 H13 Cl2 N4 Pd -","- C52 H52 Cl8 N16 Pd4 -","4","2","","Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.","Inorganic chemistry","2015","54","23","11465","11476","10.1021/acs.inorgchem.5b02110","","","0.71073","MoKα","","0.0549","0.0378","","","0.1018","0.1137","","","","","","0.92","","","","has coordinates","231974","2020-10-21","18:00:00",""
"4346771","7.245","0.005","9.789","0.005","12.606","0.005","91.937","0.005","91.401","0.005","91.477","0.005","892.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl2 N4 Pd -","- C18 H15 Cl2 N4 Pd -","- C36 H30 Cl4 N8 Pd2 -","2","1","","Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.","Inorganic chemistry","2015","54","23","11465","11476","10.1021/acs.inorgchem.5b02110","","","0.71073","MoKα","","0.085","0.047","","","0.0795","0.0941","","","","","","1.008","","","","has coordinates","231974","2020-10-21","18:00:00",""
"4346772","19.819","0.003","10.3894","0.0013","18.274","0.004","90","","118.773","0.002","90","","3298.2","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N4 Pd -","- C18 H16 Cl N4 Pd -","- C144 H128 Cl8 N32 Pd8 -","8","1","","Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.","Inorganic chemistry","2015","54","23","11465","11476","10.1021/acs.inorgchem.5b02110","","","0.71073","MoKα","","0.0262","0.0224","","","0.0615","0.0665","","","","","","0.735","","","","has coordinates","231974","2020-10-21","18:00:00",""
"4346773","10.669","0.005","12.002","0.005","16.139","0.005","80.675","0.005","82.573","0.005","89.627","0.005","2021.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Cl2 N3 P2 Pd -","- C47 H37 Cl2 N3 P2 Pd -","- C94 H74 Cl4 N6 P4 Pd2 -","2","1","","Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.","Inorganic chemistry","2015","54","23","11465","11476","10.1021/acs.inorgchem.5b02110","","","0.71073","MoKα","","0.0898","0.0521","","","0.1197","0.1449","","","","","","0.87","","","","has coordinates","231974","2020-10-21","18:00:00",""
"4346774","13.7472","0.0005","13.4249","0.0005","28.9319","0.001","90","","91.095","0.002","90","","5338.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H24 F12 I8 N4 O2 Zn -","- C50 H24 F12 I8 N4 O2 Zn -","- C200 H96 F48 I32 N16 O8 Zn4 -","4","1","","Thomassen, Ivar K.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Octaiodoporphyrin.","Inorganic chemistry","2015","54","23","11493","11497","10.1021/acs.inorgchem.5b02127","","","0.7749","synchrotron","","0.0621","0.0422","","","0.0768","0.0824","","","","","","1.058","","","","has coordinates,has disorder","231975","2020-10-21","18:00:00",""
"4346775","12.4291","0.0004","15.0986","0.0005","18.1342","0.0006","68.073","0.002","86.741","0.002","69.079","0.002","2937.28","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.77 H29.43 Cl0.09 F12 I8 N4 Ni -","- C53.765 H29.436 Cl0.094 F12 I8 N4 Ni -","- C107.53 H58.872 Cl0.188 F24 I16 N8 Ni2 -","2","1","","Thomassen, Ivar K.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Octaiodoporphyrin.","Inorganic chemistry","2015","54","23","11493","11497","10.1021/acs.inorgchem.5b02127","","","0.7749","synchrotron","","0.0522","0.0336","","","0.062","0.0685","","","","","","1.055","","","","has coordinates,has disorder","231975","2020-10-21","18:00:00",""
"4346776","12.981","0.003","20.97","0.005","25.698","0.006","81.432","0.004","85.197","0.004","83.911","0.004","6862","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H16 Cu F12 I8 N4 -","- C48 H16 Cu F12 I8 N4 -","- C192 H64 Cu4 F48 I32 N16 -","4","2","","Thomassen, Ivar K.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik","Octaiodoporphyrin.","Inorganic chemistry","2015","54","23","11493","11497","10.1021/acs.inorgchem.5b02127","","","0.7749","synchrotron","","0.1252","0.07","","","0.1754","0.1938","","","","","","1.12","","","","has coordinates,has disorder","231975","2020-10-21","18:00:00",""
"4346777","19.5284","0.0013","19.5284","0.0013","28.677","0.002","90","","90","","120","","9471","1.1","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C185 H230 Ca2 Mn6 N10 O39 -","- C185 H199.98 Ca2 Mn6 N10 O39 -","- C370 H399.96 Ca4 Mn12 N20 O78 -","2","0.166667","","Escriche-Tur, Luis; Jover, Jesús; Font-Bardia, Mercè; Aullón, Gabriel; Corbella, Montserrat","Magnetic Behavior of Heterometallic Wheels Having a [Mn(IV)6M2O9](10+) Core with M = Ca(2+) and Sr(2+).","Inorganic chemistry","2015","54","24","11596","11605","10.1021/acs.inorgchem.5b02131","","","0.71073","MoKα","","0.0752","0.0545","","","0.133","0.1556","","","","","","1.092","","","","has coordinates","231976","2020-10-21","18:00:00",""
"4346778","19.6062","0.0006","19.6062","0.0006","28.9147","0.001","90","","90","","120","","9625.8","0.5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C185 H230 Mn6 N10 O39 Sr2 -","- C185 H199.98 Mn6 N10 O39 Sr2 -","- C370 H399.96 Mn12 N20 O78 Sr4 -","2","0.166667","","Escriche-Tur, Luis; Jover, Jesús; Font-Bardia, Mercè; Aullón, Gabriel; Corbella, Montserrat","Magnetic Behavior of Heterometallic Wheels Having a [Mn(IV)6M2O9](10+) Core with M = Ca(2+) and Sr(2+).","Inorganic chemistry","2015","54","24","11596","11605","10.1021/acs.inorgchem.5b02131","","","0.71073","MoKα","","0.1037","0.0724","","","0.1948","0.2184","","","","","","1.041","","","","has coordinates","231976","2020-10-21","18:00:00",""
"4346779","12.0758","0.0005","12.8","0.0005","20.1759","0.0008","90","","90","","90","","3118.6","0.2","88","2","88","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 B2 Co F8 N8 P -","- C26 H33 B2 Co F8 N8 P -","- C104 H132 B8 Co4 F32 N32 P4 -","4","1","","Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.","Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).","Inorganic chemistry","2015","54","23","11505","11510","10.1021/acs.inorgchem.5b02133","","","0.71073","MoKα","","0.0437","0.0377","","","0.0957","0.1003","","","","","","0.983","","","","has coordinates,has disorder","231977","2020-10-21","18:00:00",""
"4346780","11.4079","0.0004","19.1421","0.0007","20.4935","0.0008","89.209","0.001","77.512","0.001","87.068","0.001","4363.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 B2 Co F8 N13 P2 -","- C38 H45 B2 Co F8 N13 P2 -","- C152 H180 B8 Co4 F32 N52 P8 -","4","2","","Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.","Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).","Inorganic chemistry","2015","54","23","11505","11510","10.1021/acs.inorgchem.5b02133","","","0.71073","MoKα","","0.064","0.0493","","","0.133","0.1431","","","","","","1.044","","","","has coordinates,has disorder","231978","2020-10-21","18:00:00",""
"4346781","26.255","0.0013","38.811","0.003","9.1778","0.0005","90","","90","","90","","9352","1","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H31 Cl N7 P -","- C24 H31 Cl N7 P -","- C384 H496 Cl16 N112 P16 -","16","1","","Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.","Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).","Inorganic chemistry","2015","54","23","11505","11510","10.1021/acs.inorgchem.5b02133","","","0.71073","MoKα","","0.0414","0.0373","","","0.1039","0.1069","","","","","","0.841","","","","has coordinates","231979","2020-10-21","18:00:00",""
"4346782","16.9598","0.0007","10.7831","0.0004","17.8747","0.0007","90","","107.179","0.001","90","","3123.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 N O Os P2 -","- C31 H53 N O Os P2 -","- C124 H212 N4 O4 Os4 P8 -","4","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.","2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.","Inorganic chemistry","2015","54","22","10998","11006","10.1021/acs.inorgchem.5b02138","","","0.71073","MoKα","","0.0327","0.0263","","","0.0515","0.0542","","","","","","1.053","","","","has coordinates","231980","2020-10-21","18:00:00",""
"4346783","14.0888","0.001","15.8579","0.0011","15.2962","0.001","90","","93.224","0.001","90","","3412","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N O Os P2 -","- C35 H55 N O Os P2 -","- C140 H220 N4 O4 Os4 P8 -","4","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.","2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.","Inorganic chemistry","2015","54","22","10998","11006","10.1021/acs.inorgchem.5b02138","","","0.71073","MoKα","","0.0764","0.0486","","","0.0781","0.0858","","","","","","1.072","","","","has coordinates","231980","2020-10-21","18:00:00",""
"4346784","8.6959","0.0012","12.9629","0.0017","17.039","0.002","90","","104.647","0.002","90","","1858.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C35 H62 B F4 N O2 Os P2 -","- C35 H62 B F4 N O2 Os P2 -","- C70 H124 B2 F8 N2 O4 Os2 P4 -","2","0.5","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oñate, Enrique; Sierra, Miguel A.","2-Azetidinones as Precursors of Pincer Ligands: Preparation, Structure, and Spectroscopic Properties of CC'N-Osmium Complexes.","Inorganic chemistry","2015","54","22","10998","11006","10.1021/acs.inorgchem.5b02138","","","0.71073","MoKα","","0.0366","0.0312","","","0.0738","0.0763","","","","","","1.071","","","","has coordinates,has disorder","231980","2020-10-21","18:00:00",""
"4346785","18.5722","0.0006","11.27","0.0005","17.4935","0.0006","90","","90","","90","","3661.5","0.2","213","2","213","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H58 N4 -","- C40 H58 N4 -","- C160 H232 N16 -","4","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.049","0.042","","","0.1188","0.1294","","","","","","1.065","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346786","14.6732","0.0008","19.9967","0.0011","20.9683","0.001","109.399","0.002","106.206","0.002","90.741","0.002","5534.5","0.5","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 N4 -","- C30 H42 N4 -","- C240 H336 N32 -","8","4","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.173","0.0965","","","0.2659","0.2901","","","","","","1.058","","","","has coordinates,has disorder","231981","2020-10-21","18:00:00",""
"4346787","11.4131","0.0007","17.0066","0.0011","14.0901","0.0009","90","","106.045","0.002","90","","2628.3","0.3","213","2","213","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N4 -","- C30 H38 N4 -","- C120 H152 N16 -","4","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.0605","0.0389","","","0.0953","0.1034","","","","","","1.041","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346788","11.0595","0.0003","11.2633","0.0003","16.7977","0.0005","98.483","0.001","104.632","0.001","102.303","0.001","1932.69","0.09","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H61 Cu N4 O2 -","- C42 H61 Cu N4 O2 -","- C84 H122 Cu2 N8 O4 -","2","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.0553","0.0504","","","0.1496","0.1526","","","","","","1.045","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346789","10.9841","0.0005","17.9692","0.0008","16.161","0.0007","90","","96.057","0.001","90","","3172","0.2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Cu N4 O2 -","- C32 H45 Cu N4 O2 -","- C128 H180 Cu4 N16 O8 -","4","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.0361","0.0324","","","0.092","0.094","","","","","","1.07","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346790","17.3087","0.0007","24.7043","0.001","26.6237","0.0012","90","","90.907","0.002","90","","11382.8","0.8","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H121 Cl8 Cu2 N12 O2 -","- C96 H121 Cl8 Cu2 N12 O2 -","- C384 H484 Cl32 Cu8 N48 O8 -","4","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.142","0.0877","","","0.2581","0.2856","","","","","","0.994","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346791","15.8146","0.0015","19.303","0.002","25.166","0.003","79.992","0.003","80.974","0.003","80.493","0.003","7396.3","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H153 B2 Cu2 N12 -","- C138 H153 B2 Cu2 N12 -","- C276 H306 B4 Cu4 N24 -","2","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.1602","0.0716","","","0.1645","0.1856","","","","","","0.872","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346792","13.7885","0.0006","17.509","0.0008","32.0772","0.0015","96.989","0.001","101.869","0.001","93.112","0.001","7497.2","0.6","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H188 B2 Cl10 Cu2 N12 -","- C164 H188 B2 Cl10 Cu2 N12 -","- C328 H376 B4 Cl20 Cu4 N24 -","2","1","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.0731","0.0621","","","0.1879","0.197","","","","","","1.057","","","","has coordinates","231981","2020-10-21","18:00:00",""
"4346793","32.739","0.003","26.39","0.003","18.644","0.002","90","","91.556","0.003","90","","16102","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87.5 H108 B Cl Cu N8 -","- C87.5 H108 B Cl Cu N8 -","- C700 H864 B8 Cl8 Cu8 N64 -","8","2","","Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan","Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.","Inorganic chemistry","2015","54","22","11007","11017","10.1021/acs.inorgchem.5b02141","","","0.71073","MoKα","","0.1001","0.0619","","","0.1647","0.181","","","","","","1.095","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4346797","26.783","0.007","10.371","0.003","18.591","0.005","90","","112.61","0.005","90","","4767","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H40 Cu2 I2 N8 O -","- C49 H40 Cu2 I2 N8 O -","- C196 H160 Cu8 I8 N32 O4 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.1421","0.0797","","","0.1671","0.1951","","","","","","1.077","","","","has coordinates,has disorder","231983","2020-10-21","18:00:00",""
"4346798","26.963","0.006","10.255","0.002","18.684","0.004","90","","113.18","0.004","90","","4749.2","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Cu2 I2 N8 O2 -","- C50 H44 Cu2 I2 N8 O2 -","- C200 H176 Cu8 I8 N32 O8 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.1419","0.0811","","","0.1458","0.1672","","","","","","1.078","","","","has coordinates,has disorder","231984","2020-10-21","18:00:00",""
"4346799","26.472","0.004","10.4161","0.0017","18.492","0.003","90","","111.936","0.002","90","","4729.7","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47.8 H39.3 Cu2 I2 N8 O1.7 -","- C47.8 H39.3 Cu2 I2 N8 O1.7 -","- C191.2 H157.2 Cu8 I8 N32 O6.8 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.1066","0.0703","","","0.1568","0.1748","","","","","","1.053","","","","has coordinates,has disorder","231985","2020-10-21","18:00:00",""
"4346800","26.191","0.009","10.653","0.004","18.419","0.007","90","","112.137","0.005","90","","4760","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H33 Cl3 Cu2 I2 N8 -","- C47 H33 Cl3 Cu2 I2 N8 -","- C188 H132 Cl12 Cu8 I8 N32 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.1131","0.0687","","","0.1574","0.1784","","","","","","1.058","","","","has coordinates,has disorder","231987","2020-10-21","18:00:00",""
"4346801","25.92","0.004","10.8349","0.0017","18.189","0.003","90","","111.262","0.002","90","","4760.5","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H38 Cu2 I2 N8 O -","- C49 H38 Cu2 I2 N8 O -","- C196 H152 Cu8 I8 N32 O4 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.0751","0.0516","","","0.1224","0.1336","","","","","","1.021","","","","has coordinates,has disorder","231988","2020-10-21","18:00:00",""
"4346802","26.07","0.006","10.71","0.003","18.232","0.004","90","","111.462","0.004","90","","4738","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H35 Cl2 Cu2 I2 N8 O0.5 -","- C47 H35 Cl2 Cu2 I2 N8 O0.5 -","- C188 H140 Cl8 Cu8 I8 N32 O2 -","4","0.5","","Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin","Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.","Inorganic chemistry","2015","54","24","11590","11592","10.1021/acs.inorgchem.5b02150","","","0.71073","MoKα","","0.1182","0.0645","","","0.1512","0.1745","","","","","","0.952","","","","has coordinates,has disorder","231989","2020-10-21","18:00:00",""
"4346819","12.863","0.003","15.671","0.002","18.036","0.002","90","","90","","90","","3635.6","1","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C14 H23 Co5 N37 -","- C14 H23 Co5 N37 -","- C56 H92 Co20 N148 -","4","0.5","","Liu, Xiangyu; Qu, Xiaoni; Zhang, Sheng; Ke, Hongshan; Yang, Qi; Shi, Quan; Wei, Qing; Xie, Gang; Chen, Sanping","High-Performance Energetic Characteristics and Magnetic Properties of a Three-Dimensional Cobalt(II) Metal-Organic Framework Assembled with Azido and Triazole.","Inorganic chemistry","2015","54","23","11520","11525","10.1021/acs.inorgchem.5b02196","","","0.71073","MoKα","","0.039","0.035","","","0.1165","0.123","","","","","","1.034","","","","has coordinates,has disorder","232000","2020-10-21","18:00:00",""
"4346820","8.579","0.0002","9.4128","0.0002","11.6658","0.0003","97.114","0.001","99.975","0.001","92.867","0.001","918.19","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","bis((mu2-2,2',2''-Nitrilotriethanol)-(mu2-furan-2-carboxylato)-(furan-2-carboxylato-O))-tri-copper(II)","","- C32 H40 Cu3 N2 O18 -","- C32 H40 Cu3 N2 O18 -","- C32 H40 Cu3 N2 O18 -","1","0.5","","Ozarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria","Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies.","Inorganic chemistry","2015","54","24","11916","11934","10.1021/acs.inorgchem.5b02199","","","0.71073","MoKα","","0.0526","0.0363","","","0.099","0.1081","","","","","","1.061","","","","has coordinates","232001","2020-10-21","18:00:00",""
"4346821","13.4231","0.0001","13.425","0.0001","26.0803","0.0003","90","","98.142","0.0004","90","","4652.43","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu3(m-methoxy-carboxylato)4(H2-triethanolamine)2]","","- C44 H56 Cu3 N2 O18 -","- C44 H56 Cu3 N2 O18 -","- C176 H224 Cu12 N8 O72 -","4","1","","Ozarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria","Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies.","Inorganic chemistry","2015","54","24","11916","11934","10.1021/acs.inorgchem.5b02199","","","0.71073","MoKα","","0.0728","0.0407","","","0.1026","0.1215","","","","","","1.065","","","","has coordinates","232002","2020-10-21","18:00:00",""
"4346822","8.4446","0.0001","16.8601","0.0002","16.9374","0.0003","89.067","0.0006","81.158","0.0007","82.668","0.0006","2363.34","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","[Cu3(m-methoxy-carboxylato)4(H2-triethanolamine)2]","","- C44 H56 Cu3 N2 O18 -","- C44 H56 Cu3 N2 O18 -","- C88 H112 Cu6 N4 O36 -","2","1","","Ozarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria","Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies.","Inorganic chemistry","2015","54","24","11916","11934","10.1021/acs.inorgchem.5b02199","","","0.71073","MoKα","","0.071","0.0464","","","0.1068","0.1157","","","","","","1.089","","","","has coordinates","232003","2020-10-21","18:00:00",""
"4346823","11.6469","0.0002","15.8467","0.0003","14.0542","0.0003","90","","93.566","0.001","90","","2588.89","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu3(o-methoxy-carboxylato)4(H2-triethanolamine)2]. (acetonitrile)2","","- C48 H62 Cu3 N4 O18 -","- C48 H62 Cu3 N4 O18 -","- C96 H124 Cu6 N8 O36 -","2","0.5","","Ozarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria","Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies.","Inorganic chemistry","2015","54","24","11916","11934","10.1021/acs.inorgchem.5b02199","","","0.71073","MoKα","","0.065","0.0442","","","0.1208","0.1301","","","","","","1.07","","","","has coordinates","232004","2020-10-21","18:00:00",""
"4346836","14.7467","0.0002","36.4333","0.0004","19.1059","0.0003","90","","96.86","","90","","10191.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H140 Li6 O8 P2 -","- C92 H140 Li6 O8 P2 -","- C368 H560 Li24 O32 P8 -","4","1","","Liang, Lan-Chang; Chou, Kuan-Wei; Su, Wei-Jia; Chen, Han-Sheng; Hsu, Yu-Lin","Homo- and Heteropolynuclear Clusters of Phosphine Triphenolates.","Inorganic chemistry","2015","54","23","11526","11534","10.1021/acs.inorgchem.5b02208","","","0.71073","MoKα","","0.1465","0.0806","","","0.202","0.2269","","","","","","1.061","","","","has coordinates,has disorder","232007","2020-10-21","18:00:00",""
"4346837","14.86","0.0008","17.789","0.0008","21.475","0.0013","87.897","0.001","89.936","0.001","69.778","0.004","5322.9","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H144 Li4 Mn O9 P2 -","- C96 H144 Li4 Mn O9 P2 -","- C192 H288 Li8 Mn2 O18 P4 -","2","1","","Liang, Lan-Chang; Chou, Kuan-Wei; Su, Wei-Jia; Chen, Han-Sheng; Hsu, Yu-Lin","Homo- and Heteropolynuclear Clusters of Phosphine Triphenolates.","Inorganic chemistry","2015","54","23","11526","11534","10.1021/acs.inorgchem.5b02208","","","0.71073","MoKα","","0.2922","0.1397","","","0.3267","0.39","","","","","","0.956","","","","has coordinates,has disorder","232007","2020-10-21","18:00:00",""
"4346838","14.4092","0.0002","27.3111","0.0005","26.0713","0.0005","90","","95.439","0.001","90","","10213.7","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H140 Cl4 Li2 Ni2 O8 P2 -","- C93.5 H139 Cl3 Li2 Ni2 O8 P2 -","- C374 H556 Cl12 Li8 Ni8 O32 P8 -","4","1","","Liang, Lan-Chang; Chou, Kuan-Wei; Su, Wei-Jia; Chen, Han-Sheng; Hsu, Yu-Lin","Homo- and Heteropolynuclear Clusters of Phosphine Triphenolates.","Inorganic chemistry","2015","54","23","11526","11534","10.1021/acs.inorgchem.5b02208","","","0.71073","MoKα","","0.1691","0.0965","","","0.2555","0.2924","","","","","","1","","","","has coordinates,has disorder","232007","2020-10-21","18:00:00",""
"4346839","14.7973","0.0001","18.1318","0.0002","22.9456","0.0002","92.8","","105.49","","103.56","","5726.38","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H144 O8 P2 Zn3 -","- C99 H144 O8 P2 Zn3 -","- C198 H288 O16 P4 Zn6 -","2","1","","Liang, Lan-Chang; Chou, Kuan-Wei; Su, Wei-Jia; Chen, Han-Sheng; Hsu, Yu-Lin","Homo- and Heteropolynuclear Clusters of Phosphine Triphenolates.","Inorganic chemistry","2015","54","23","11526","11534","10.1021/acs.inorgchem.5b02208","","","0.71073","MoKα","","0.08","0.0611","","","0.1684","0.1815","","","","","","1.025","","","","has coordinates,has disorder","232007","2020-10-21","18:00:00",""
"4346845","8.2671","0.0003","12.7351","0.0008","14.198","0.0006","89.017","0.004","87.86","0.003","79.825","0.004","1470.18","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl2 N2 O8 Zn2 -","- C27 H32 Cl2 N2 O8 Zn2 -","- C54 H64 Cl4 N4 O16 Zn4 -","2","1","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.0516","0.0379","","","0.0837","0.0905","","","","","","1.026","","","","has coordinates,has disorder","232013","2020-10-21","18:00:00",""
"4346846","11.0206","0.0004","12.7927","0.0005","13.4261","0.0006","108.871","0.004","108.312","0.004","92.889","0.003","1675.88","0.14","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H104 N4 O14 Zn2 -","- C66 H104 N4 O14 Zn2 -","- C66 H104 N4 O14 Zn2 -","1","0.5","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.061","0.0462","","","0.1055","0.1149","","","","","","1.033","","","","has coordinates,has disorder","232013","2020-10-21","18:00:00",""
"4346847","11.3488","0.0004","14.2169","0.0005","15.4784","0.0004","95.168","0.003","100.165","0.003","111.371","0.003","2256.43","0.14","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N4 O10 Zn2 -","- C44 H64 N4 O10 Zn2 -","- C88 H128 N8 O20 Zn4 -","2","1","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.0562","0.04","","","0.0951","0.1053","","","","","","1.049","","","","has coordinates","232013","2020-10-21","18:00:00",""
"4346848","18.7381","0.0011","18.6958","0.0006","18.9958","0.0006","90","","90","","90","","6654.7","0.5","203","","203","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H40 N2 O12 Zn3 -","- C29 H40 N2 O12 Zn3 -","- C232 H320 N16 O96 Zn24 -","8","1","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.1016","0.0531","","","0.0898","0.1102","","","","","","1.123","","","","has coordinates","232013","2020-10-21","18:00:00",""
"4346849","17.273","0.0005","20.0374","0.0005","19.2903","0.0006","90","","114.88","0.004","90","","6056.9","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H88 Cl2 N4 O12 Zn3 -","- C58 H88 Cl2 N4 O12 Zn3 -","- C232 H352 Cl8 N16 O48 Zn12 -","4","0.5","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.052","0.0358","","","0.0781","0.0852","","","","","","1.048","","","","has coordinates,has disorder","232013","2020-10-21","18:00:00",""
"4346854","21.1161","0.0005","16.0077","0.0004","23.2672","0.0004","90","","95.564","0.002","90","","7827.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31.84 H32.84 Cl5.53 N5 O3 Pt -","- C31.844 H32.844 Cl5.532 N5 O3 Pt -","- C254.752 H262.752 Cl44.256 N40 O24 Pt8 -","8","1","","Smirnov, Andrey S.; Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Selivanov, Stanislav I.; Gurzhiy, Vladislav V.; Roodt, Andreas; Kukushkin, Vadim Yu","Regio- and Stereoselective 1,3-Dipolar Cycloaddition of Cyclic Azomethine Imines to Platinum(IV)-Bound Nitriles Giving Δ(2)-1,2,4-Triazoline Species.","Inorganic chemistry","2015","54","22","11018","11030","10.1021/acs.inorgchem.5b02246","","","0.71073","MoKα","","0.0676","0.0487","","","0.125","0.1378","","","","","","1.051","","","","has coordinates","232018","2020-10-21","18:00:00",""
"4346855","12.30326","0.00016","9.98422","0.00012","23.6475","0.0003","90","","92.2526","0.0012","90","","2902.58","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl3 D N4 O3 -","- C29 H28 Cl3 D N4 O3 -","- C116 H112 Cl12 D4 N16 O12 -","4","1","","Smirnov, Andrey S.; Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Selivanov, Stanislav I.; Gurzhiy, Vladislav V.; Roodt, Andreas; Kukushkin, Vadim Yu","Regio- and Stereoselective 1,3-Dipolar Cycloaddition of Cyclic Azomethine Imines to Platinum(IV)-Bound Nitriles Giving Δ(2)-1,2,4-Triazoline Species.","Inorganic chemistry","2015","54","22","11018","11030","10.1021/acs.inorgchem.5b02246","","","1.54184","CuKα","","0.0369","0.0325","","","0.0809","0.0847","","","","","","1.035","","","","has coordinates","232019","2020-10-21","18:00:00",""
"4346856","11.73181","0.00015","25.6039","0.0002","11.70321","0.00011","90","","107.175","0.0012","90","","3358.64","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Cl2 N5 O4 Pt -","- C32 H37 Cl2 N5 O4 Pt -","- C128 H148 Cl8 N20 O16 Pt4 -","4","1","","Smirnov, Andrey S.; Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Selivanov, Stanislav I.; Gurzhiy, Vladislav V.; Roodt, Andreas; Kukushkin, Vadim Yu","Regio- and Stereoselective 1,3-Dipolar Cycloaddition of Cyclic Azomethine Imines to Platinum(IV)-Bound Nitriles Giving Δ(2)-1,2,4-Triazoline Species.","Inorganic chemistry","2015","54","22","11018","11030","10.1021/acs.inorgchem.5b02246","","","1.54184","CuKα","","0.0362","0.0304","","","0.0712","0.076","","","","","","1.058","","","","has coordinates","232021","2020-10-21","18:00:00",""
"4346858","7.4869","0.0009","8.8283","0.0007","9.8294","0.001","64.567","0.009","77.215","0.009","76.436","0.008","564.96","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","bis(hexamethylpentalenyl)diiron","","- C28 H36 Fe2 -","- C28 H36 Fe2 -","- C28 H36 Fe2 -","1","0.5","","Binding, Samantha C.; Green, Jennifer C.; Myers, William K.; O'Hare, Dermot","Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron.","Inorganic chemistry","2015","54","24","11935","11940","10.1021/acs.inorgchem.5b02254","","","1.5418","CuKα","","0.0633","0.0581","","0.1507","0.1472","0.1507","","","","","","0.9995","","","","has coordinates","232025","2020-10-21","18:00:00",""
"4346865","7.7252","0.0007","26.715","0.003","11.0356","0.001","90","","98.27","0.004","90","","2253.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cl2 N3 O5 Ru S2 -","- C16 H27 Cl2 N3 O5 Ru S2 -","- C64 H108 Cl8 N12 O20 Ru4 S8 -","4","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Llobet, Antoni","Single Site Isomeric Ru WOCs with an Electron-Withdrawing Group: Synthesis, Electrochemical Characterization, and Reactivity.","Inorganic chemistry","2015","54","24","11948","11957","10.1021/acs.inorgchem.5b02260","","","0.71073","MoKα","","0.0779","0.042","","","0.0768","0.0873","","","","","","1.035","","","","has coordinates,has disorder","232032","2020-10-21","18:00:00",""
"4346866","11.6059","0.0003","15.1634","0.0004","16.5717","0.0004","90","","96.41","0.001","90","","2898.14","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 N6 O11 Ru -","- C26 H24 Cl2 N6 O11 Ru -","- C104 H96 Cl8 N24 O44 Ru4 -","4","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Llobet, Antoni","Single Site Isomeric Ru WOCs with an Electron-Withdrawing Group: Synthesis, Electrochemical Characterization, and Reactivity.","Inorganic chemistry","2015","54","24","11948","11957","10.1021/acs.inorgchem.5b02260","","","0.71073","MoKα","","0.0323","0.0262","","","0.0659","0.0692","","","","","","1.036","","","","has coordinates","232032","2020-10-21","18:00:00",""
"4346867","8.4167","0.0006","19.4697","0.0012","19.9959","0.0014","90","","101.366","0.002","90","","3212.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl2 N6 O13 Ru -","- C26 H28 Cl2 N6 O13 Ru -","- C104 H112 Cl8 N24 O52 Ru4 -","4","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Llobet, Antoni","Single Site Isomeric Ru WOCs with an Electron-Withdrawing Group: Synthesis, Electrochemical Characterization, and Reactivity.","Inorganic chemistry","2015","54","24","11948","11957","10.1021/acs.inorgchem.5b02260","","","0.71073","MoKα","","0.0735","0.0469","","","0.1074","0.1208","","","","","","1.019","","","","has coordinates,has disorder","232032","2020-10-21","18:00:00",""
"4346868","15.0253","0.0019","13.4994","0.0017","23.879","0.003","90","","105.947","0.002","90","","4657","1","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C168 H160 B4 Co4 F24 Fe4 N52 O36 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.0635","0.0433","","","0.118","0.144","","","","","","1.044","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346869","15.4127","0.0004","13.3764","0.0004","24.8056","0.0007","90","","106.362","0.001","90","","4907","0.2","220","2","220","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C168 H160 B4 Co4 F24 Fe4 N52 O36 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.0612","0.0444","","","0.1229","0.1373","","","","","","1.077","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346870","14.923","0.0016","13.0954","0.0014","23.839","0.003","90","","104.711","0.002","90","","4506","0.9","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H72 B2 Co2 F12 Fe2 N26 O16 P2 -","- C82 H72 B2 Co2 F12 Fe2 N26 O16 P2 -","- C164 H144 B4 Co4 F24 Fe4 N52 O32 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.0605","0.0457","","","0.1321","0.148","","","","","","1.073","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346871","15.0262","0.0016","13.4105","0.0015","24.85","0.003","90","","105.056","0.002","90","","4835.6","0.9","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C82 H72 B2 Co2 F12 Fe2 N26 O16 P2 -","- C82 H72 B2 Co2 F12 Fe2 N26 O16 P2 -","- C164 H144 B4 Co4 F24 Fe4 N52 O32 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.0872","0.0514","","","0.1435","0.1723","","","","","","1.062","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346872","15.0838","0.0013","13.5679","0.0011","23.969","0.002","90","","106.095","0.002","90","","4713.1","0.7","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C168 H160 B4 Co4 F24 Fe4 N52 O36 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.0728","0.0491","","","0.1104","0.1342","","","","","","1.052","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346873","15.403","0.002","13.3271","0.0019","24.802","0.003","90","","106.164","0.003","90","","4890","1.1","220","2","220","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C84 H80 B2 Co2 F12 Fe2 N26 O18 P2 -","- C168 H160 B4 Co4 F24 Fe4 N52 O36 P4 -","2","0.5","","Zheng, Chunyang; Xu, Juping; Yang, Zhixin; Tao, Jun; Li, Dongfeng","Factors Impacting Electron Transfer in Cyano-Bridged {Fe2Co2} Clusters.","Inorganic chemistry","2015","54","20","9687","9689","10.1021/acs.inorgchem.5b02272","","","0.71073","MoKα","","0.1184","0.0488","","","0.1171","0.1484","","","","","","1.012","","","","has coordinates","232033","2020-10-21","18:00:00",""
"4346885","9.7283","0.0004","9.8755","0.0005","14.1414","0.0006","79.233","0.002","88.148","0.002","72.863","0.002","1275.04","0.1","100","0.1","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H66 Cl2 Mo4 N6 O6 P2 -","- C45 H66 Cl2 Mo4 N6 O6 P2 -","- C45 H66 Cl2 Mo4 N6 O6 P2 -","1","0.5","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Mild N-O Bond Cleavage Reactions of a Pyramidalized Nitrosyl Ligand Bridging a Dimolybdenum Center.","Inorganic chemistry","2015","54","22","10536","10538","10.1021/acs.inorgchem.5b02292","","x-ray","0.71073","MoKα","","0.0357","0.0288","","","0.0566","0.0591","","","","","","1.068","","","","has coordinates,has disorder","232045","2020-10-21","18:00:00",""
"4346886","11.4908","0.0002","15.6195","0.0003","14.3882","0.0003","90","","93.423","0.002","90","","2577.79","0.09","137","1","137","1","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 B F4 Mo2 N3 O3 P -","- C22 H33 B F4 Mo2 N3 O3 P -","- C88 H132 B4 F16 Mo8 N12 O12 P4 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Mild N-O Bond Cleavage Reactions of a Pyramidalized Nitrosyl Ligand Bridging a Dimolybdenum Center.","Inorganic chemistry","2015","54","22","10536","10538","10.1021/acs.inorgchem.5b02292","","x-ray","1.54184","CuKα","","0.0472","0.042","","","0.1092","0.1142","","","","","","1.038","","","","has coordinates","232045","2020-10-21","18:00:00",""
"4346887","15.0049","0.001","21.8085","0.0007","18.398","0.0007","90","","105.368","0.005","90","","5805.2","0.5","125","0.1","125","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 Cl2 Mo2 N3 O2 P -","- C23 H36 Cl2 Mo2 N3 O2 P -","- C184 H288 Cl16 Mo16 N24 O16 P8 -","8","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Mild N-O Bond Cleavage Reactions of a Pyramidalized Nitrosyl Ligand Bridging a Dimolybdenum Center.","Inorganic chemistry","2015","54","22","10536","10538","10.1021/acs.inorgchem.5b02292","","x-ray","1.54184","CuKα","","0.1159","0.1062","","","0.2463","0.2601","","","","","","1.046","","","","has coordinates,has disorder","232045","2020-10-21","18:00:00",""
"4346888","10.2192","0.0005","12.1196","0.0005","18.6454","0.0009","85.541","0.004","87.857","0.004","79.474","0.004","2262.92","0.18","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H55 Mo2 N3 O5 P2 -","- C47 H55 Mo2 N3 O5 P2 -","- C94 H110 Mo4 N6 O10 P4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián","Mild N-O Bond Cleavage Reactions of a Pyramidalized Nitrosyl Ligand Bridging a Dimolybdenum Center.","Inorganic chemistry","2015","54","22","10536","10538","10.1021/acs.inorgchem.5b02292","","x-ray","1.54184","CuKα","","0.054","0.0455","","","0.1244","0.136","","","","","","1.071","","","","has coordinates,has disorder","232045","2020-10-21","18:00:00",""
"4346891","19.024","0.0011","14.9753","0.0008","20.8994","0.0012","90","","95.574","0.002","90","","5925.9","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H39 Cl2 N11 O8 Os -","- C54 H39 Cl2 N11 O8 Os -","- C216 H156 Cl8 N44 O32 Os4 -","4","1","","Karmakar, Srikanta; Mardanya, Sourav; Pal, Poulami; Baitalik, Sujoy","Design of Multichannel Osmium-Based Metalloreceptor for Anions and Cations by Taking Profit from Metal-Ligand Interaction and Construction of Molecular Keypad Lock and Memory Device.","Inorganic chemistry","2015","54","24","11813","11825","10.1021/acs.inorgchem.5b02300","","","0.71073","MoKα","","0.0865","0.0603","","","0.1676","0.1792","","","","","","1.131","","","","has coordinates","232048","2020-10-21","18:00:00",""
"4346895","17.815","0.005","15.672","0.004","14.185","0.006","90","","124.964","0.003","90","","3245.6","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N6 O6 -","- C28 H18 Co N4 O4 -","- C112 H72 Co4 N16 O16 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Zhang, Yi-Quan; Yin, Shun-Gao; Liu, Qing-Yan","Field-Induced Slow Magnetic Relaxation and Gas Adsorption Properties of a Bifunctional Cobalt(II) Compound.","Inorganic chemistry","2015","54","23","11362","11368","10.1021/acs.inorgchem.5b02324","","","0.71073","MoKα","","0.1026","0.0708","","","0.1878","0.2026","","","","","","1.009","","","","has coordinates","232050","2020-10-21","18:00:00",""
"4346898","25.3735","0.0009","25.3735","0.0009","12.8546","0.0006","90","","90","","120","","7167.2","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H25 N15 O2 Zn2 -","- C18 H25 N15 O2 Zn2 -","- C162 H225 N135 O18 Zn18 -","9","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","1.54184","CuKα","","0.0439","0.0405","","","0.11","0.1134","","","","","","1.04","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4346899","25.4125","0.0007","25.4125","0.0007","12.9771","0.0015","90","","90","","120","","7257.8","0.9","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C18 H25 N15 O2 Zn2 -","- C18 H25 N15 O2 Zn2 -","- C162 H225 N135 O18 Zn18 -","9","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","1.54178","CuKα","","0.0374","0.0346","","","0.0878","0.0903","","","","","","1.012","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4346900","17.437","0.013","10.02","0.007","17.902","0.014","90","","117.903","0.011","90","","2764","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H24 N15 O2 Zn2 -","- C18 H24 N15 O2 Zn2 -","- C72 H96 N60 O8 Zn8 -","4","1","","Wang, Fei; Tang, Yu-Huan; Zhang, Jian","Achievement of Bulky Homochirality in Zeolitic Imidazolate-Related Frameworks.","Inorganic chemistry","2015","54","23","11064","11066","10.1021/acs.inorgchem.5b02337","","","0.71073","MoKα","","0.0505","0.0427","","","0.0963","0.0984","","","","","","0.893","","","","has coordinates","232053","2020-10-21","18:00:00",""
"4346906","10.316","0.0006","11.3022","0.0006","14.628","0.0008","109.592","0.0015","99.3122","0.0019","100.642","0.0017","1532.35","0.15","100","2","100","2","","","","","","","synthetical product","6","P -1","-P 1","2","(2-[(E)-{[2-(tert-butylamino)-1-({[2-(tert-butylamino)-2-oxoethyl](2-oxi- dobenzyl)amino}methyl)-2-oxoethyl]imino}methyl]benzenola- to-N,N',O,O')-di-oxo-molybdenum(VI) dichloromethane solvate (1:1)","(2-[(E)-{[2-(tert-butylamino)-1-({[2-(tert-butylamino)-2-oxoethyl](2-oxi- dobenzyl)amino}methyl)-2-oxoethyl]imino}methyl]benzenola- to-N,N',O,O')-di-oxo-molybdenum(VI) dichloromethane solvate (1:1)","","- C27 H36 Cl2 Mo N4 O6 -","- C27 H36 Cl2 Mo N4 O6 -","- C54 H72 Cl4 Mo2 N8 O12 -","2","1","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0316","0.0293","","","0.0835","0.0854","","","","","","1.083","","","","has coordinates","232059","2020-10-21","18:00:00",""
"4346907","20.5952","0.001","13.0143","0.0006","26.4203","0.0012","90","","94.0172","0.0008","90","","7064.1","0.6","100","2","100","2","","","","","","","synthetical product","5","I 1 2/a 1","-I 2ya","15","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)","","- C63 H100 Mo2 N8 O16 -","- C63 H100 Mo2 N8 O16 -","- C252 H400 Mo8 N32 O64 -","4","0.5","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0285","0.0244","","","0.0636","0.0658","","","","","","1.058","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4346908","18.3129","0.0012","7.2605","0.0005","19.9692","0.0013","90","","91.269","0.003","90","","2654.5","0.3","100","2","100","2","","","","","","","synthetical product","5","P 1 21/n 1","-P 2yn","14","{2,2'-[5-(anilinocarbonyl)-3-(2-anilino-2-oxoethyl)imi- dazolidine-2,4-diyl]diphenolato-O,O',O""}-dioxo-molybdenum(VI)","{2,2'-[5-(anilinocarbonyl)-3-(2-anilino-2-oxoethyl)imi- dazolidine-2,4-diyl]diphenolato-O,O',O""}-dioxo-molybdenum(VI)","","- C30 H26 Mo N4 O6 -","- C30 H26 Mo N4 O6 -","- C120 H104 Mo4 N16 O24 -","4","1","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0429","0.038","","","0.0888","0.0913","","","","","","1.129","","","","has coordinates","232059","2020-10-21","18:00:00",""
"4346909","22.3972","0.0013","7.9229","0.0004","34.2903","0.0019","90","","90","","90","","6084.8","0.6","100","2","100","2","","","","","","","synthetical product","5","P b c a","-P 2ac 2ab","61","(4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O"")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)","(4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O"")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)","","- C28 H43 Mo N3 O6 -","- C28 H43 Mo N3 O6 -","- C224 H344 Mo8 N24 O48 -","8","1","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0661","0.0465","","","0.1158","0.1341","","","","","","1.073","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4346910","12.6168","0.0016","15.1248","0.0019","16.204","0.002","76.347","0.002","73.9972","0.0019","69.1633","0.0018","2745","0.6","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","(4,6-di-tert-butyl-2-{(E)-[2-(tert-butylamino)-1-([2-(tert-butylamino)- 2-oxoethyl](3,5-di-tert-butyl-2-oxidobenzyl)aminomethyl)-2-oxoethyl]iminome- thyl}benzenolato-N,N',O,O')-dioxo-molybdenum(VI) acetonitrile solvate (1:4)","(4,6-di-tert-butyl-2-{(E)-[2-(tert-butylamino)-1-([2-(tert-butylamino)- 2-oxoethyl](3,5-di-tert-butyl-2-oxidobenzyl)aminomethyl)-2-oxoethyl]iminome- thyl}benzenolato-N,N',O,O')-dioxo-molybdenum(VI) acetonitrile solvate (1:4)","","- C50 H78 Mo N8 O6 -","- C50 H78 Mo N8 O6 -","- C100 H156 Mo2 N16 O12 -","2","1","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0423","0.0388","","","0.1057","0.109","","","","","","1.052","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4346911","13.845","0.0008","20.9775","0.0012","23.7967","0.0014","73.537","0.002","83.128","0.003","89.909","0.002","6576.6","0.7","100","2","100","2","","","","","","","synthetical product","5","P -1","-P 1","2","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) acetonitrile solvate (8:15)","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) acetonitrile solvate (8:15)","","- C238 H317 Mo8 N47 O48 -","- C238 H317 Mo8 N47 O48 -","- C238 H317 Mo8 N47 O48 -","1","0.5","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0573","0.0424","","","0.1069","0.1127","","","","","","1.06","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4346923","10.3141","0.0012","11.8978","0.0011","14.0341","0.0012","93.955","0.005","90.787","0.006","90.472","0.006","1717.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 O4 Re2 -","- C34 H58 O4 Re2 -","- C68 H116 O8 Re4 -","2","1","","Raju, Suresh; Jastrzebski, Johann T. B. H.; Lutz, Martin; Witteman, Léon; Dethlefsen, Johannes R.; Fristrup, Peter; Moret, Marc-Etienne; Gebbink, Robertus J M Klein","Spectroscopic Characterization of a Monomeric, Cyclopentadienyl-Based Rhenium(V) Dioxo Complex.","Inorganic chemistry","2015","54","22","11031","11036","10.1021/acs.inorgchem.5b02366","","","0.71073","MoKα","","0.0488","0.0462","","","0.1244","0.1268","","","","","","1.127","","","","has coordinates","232066","2020-10-21","18:00:00",""
"4346924","8.9274","0.0003","18.18","0.0007","12.165","0.0004","90","","97.5339","0.0014","90","","1957.34","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 O3 Re -","- C19 H33 O3 Re -","- C76 H132 O12 Re4 -","4","1","","Raju, Suresh; Jastrzebski, Johann T. B. H.; Lutz, Martin; Witteman, Léon; Dethlefsen, Johannes R.; Fristrup, Peter; Moret, Marc-Etienne; Gebbink, Robertus J M Klein","Spectroscopic Characterization of a Monomeric, Cyclopentadienyl-Based Rhenium(V) Dioxo Complex.","Inorganic chemistry","2015","54","22","11031","11036","10.1021/acs.inorgchem.5b02366","","","0.71073","MoKα","","0.0142","0.0138","","","0.0309","0.031","","","","","","1.137","","","","has coordinates","232066","2020-10-21","18:00:00",""
"4346936","8.9251","0.0002","21.9202","0.0005","12.2706","0.0003","90","","93.815","0.001","90","","2395.3","0.1","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H88 Ni4 P4 S -","- C36 H88 Ni4 P4 S -","- C72 H176 Ni8 P8 S2 -","2","0.5","","Shoshani, Manar M.; Johnson, Samuel A.","Facile Deep and Ultradeep Hydrodesulfurization by the [((i)Pr3P)Ni]5H6 Cluster Compared to Mononuclear Ni Sources.","Inorganic chemistry","2015","54","24","11977","11985","10.1021/acs.inorgchem.5b02383","","","1.54178","CuKα","","0.0781","0.0585","","","0.1367","0.1483","","","","","","1.049","","","","has coordinates,has disorder","232074","2020-10-21","18:00:00",""
"4346937","20.8676","0.0016","17.2194","0.0014","11.8599","0.0009","90","","98.246","0.001","90","","4217.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H71 Ni3 P3 S -","- C39 H71 Ni3 P3 S -","- C156 H284 Ni12 P12 S4 -","4","1","","Shoshani, Manar M.; Johnson, Samuel A.","Facile Deep and Ultradeep Hydrodesulfurization by the [((i)Pr3P)Ni]5H6 Cluster Compared to Mononuclear Ni Sources.","Inorganic chemistry","2015","54","24","11977","11985","10.1021/acs.inorgchem.5b02383","","","0.71073","MoKα","","0.0986","0.0569","","","0.1086","0.1315","","","","","","1.065","","","","has coordinates,has disorder","232074","2020-10-21","18:00:00",""
"4346938","45.711","0.004","8.6322","0.0006","25.208","0.002","90","","119.304","0.002","90","","8673.9","1.2","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H73 Ni3 P3 S -","- C39.998 H72.996 Ni3 P3 S -","- C319.984 H583.968 Ni24 P24 S8 -","8","1","","Shoshani, Manar M.; Johnson, Samuel A.","Facile Deep and Ultradeep Hydrodesulfurization by the [((i)Pr3P)Ni]5H6 Cluster Compared to Mononuclear Ni Sources.","Inorganic chemistry","2015","54","24","11977","11985","10.1021/acs.inorgchem.5b02383","","","0.71073","MoKα","","0.0822","0.0553","","","0.1238","0.1385","","","","","","1.091","","","","has coordinates,has disorder","232074","2020-10-21","18:00:00",""
"4346942","31.247","0.003","21.572","0.0017","17.6315","0.0014","90","","100.133","0.001","90","","11699.3","1.7","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H160 N16 O16 Tb -","- C128 H160 N16 O16 Tb -","- C512 H640 N64 O64 Tb4 -","4","1","","Damjanović, Marko; Horie, Yusuke; Morita, Takaumi; Horii, Yoji; Katoh, Keiichi; Yamashita, Masahiro; Enders, Markus","α-Substituted Bis(octabutoxyphthalocyaninato)Terbium(III) Double-Decker Complexes: Preparation and Study of Protonation by NMR and DFT.","Inorganic chemistry","2015","54","24","11986","11992","10.1021/acs.inorgchem.5b02391","","","0.71073","MoKα","","0.1001","0.0569","","","0.1179","0.1392","","","","","","1.009","","","","has coordinates","232078","2020-10-21","18:00:00",""
"4346944","15.487","0.002","16.24","0.002","20.746","0.003","90","","101.593","0.003","90","","5111.4","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Co F18 N6 O2 P3 -","- C50 H46 Co F18 N6 O2 P3 -","- C200 H184 Co4 F72 N24 O8 P12 -","4","0.5","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0741","0.0546","","","0.1396","0.1536","","","","","","1.038","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4346945","18.432","0.002","16.797","0.002","20.428","0.002","90","","90.994","0.002","90","","6323.6","1.2","100","","100","2","","","","","","","tetrahydrofuran, pentane","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 Co3 N6 O9 -","- C66 H78 Co3 N6 O9 -","- C264 H312 Co12 N24 O36 -","4","1","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0471","0.0329","","","0.0829","0.0943","","","","","","1.058","","","","has coordinates,has disorder","232080","2020-10-21","18:00:00",""
"4346946","9.0566","0.0006","11.5661","0.0006","14.613","0.0008","80.265","0.004","88.642","0.005","89.549","0.005","1508.23","0.15","100","2","100","2","","","","","","","dichloromethane, ethanol","5","P -1","-P 1","2","","","","- C34 H22 Co2 N6 O4 -","- C34 H22 Co2 N6 O4 -","- C68 H44 Co4 N12 O8 -","2","1","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0535","0.0373","","","0.086","0.0945","","","","","","1.063","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4346947","8.8263","0.0005","8.8263","0.0005","27.4049","0.0011","90","","90","","90","","2134.94","0.19","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C38 H38 Co F6 N6 O2 P -","- C38 H38 Co F6 N6 O2 P -","- C76 H76 Co2 F12 N12 O4 P2 -","2","0.25","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0982","0.0756","","","0.1843","0.2018","","","","","","1.12","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4346948","20.3973","0.0012","26.0964","0.001","11.3912","0.0009","90","","101.956","0.009","90","","5932","0.7","100","2","100","2","","","","","","","acetone, diethylether","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H78 Co F12 N6 O P2 -","- C57 H78 Co F12 N6 O P2 -","- C228 H312 Co4 F48 N24 O4 P8 -","4","0.5","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0766","0.0516","","","0.1104","0.1226","","","","","","1.091","","","","has coordinates,has disorder","232080","2020-10-21","18:00:00",""
"4346949","14.8166","0.0013","16.194","0.003","16.527","0.003","98.428","0.015","95.691","0.012","116.393","0.008","3452.8","1","100","2","100","2","","","","","","","tetrahydrofuran, pentane","5","P -1","-P 1","2","","","","- C70 H88 Co3 N6 O10 -","- C70 H88 Co3 N6 O10 -","- C140 H176 Co6 N12 O20 -","2","1","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0652","0.0446","","","0.1049","0.1168","","","","","","1.024","","","","has coordinates,has disorder","232080","2020-10-21","18:00:00",""
"4346950","24.305","0.003","16.826","0.002","13.773","0.002","90","","90","","90","","5632.6","1.3","100","2","100","2","","","","","","","tetrahydrofuran, diethylether","6","P n n a","-P 2a 2bc","52","","","","- C54 H72 B Co F4 N6 -","- C54 H72 B Co F4 N6 -","- C216 H288 B4 Co4 F16 N24 -","4","0.5","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0746","0.06","","","0.1398","0.1476","","","","","","1.088","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4346951","18.05","0.0014","9.3514","0.0005","22.009","0.002","90","","107.337","0.007","90","","3546.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 B2 Co F8 N7 -","- C38 H27 B2 Co F8 N7 -","- C152 H108 B8 Co4 F32 N28 -","4","1","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.061","0.0508","","","0.1217","0.1277","","","","","","1.18","","","","has coordinates,has disorder","232080","2020-10-21","18:00:00",""
"4346952","14.2287","0.0011","14.2287","0.0011","34.0196","0.0013","90","","90","","120","","5964.7","0.7","100","2","100","2","","","","","","","acetonitrile, diethylether","6","R -3 :H","-R 3","148","","","","- C43 H34.5 B Co F4 N9.5 -","- C43 H34.5003 B Co F4 N9.5 -","- C258 H207.002 B6 Co6 F24 N57 -","6","0.333333","","England, Jason; Bill, Eckhard; Weyhermüller, Thomas; Neese, Frank; Atanasov, Mihail; Wieghardt, Karl","Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.","Inorganic chemistry","2015","54","24","12002","12018","10.1021/acs.inorgchem.5b02415","","","0.71073","MoKα","","0.0406","0.0364","","","0.0971","0.1002","","","","","","1.083","","","","has coordinates","232080","2020-10-21","18:00:00",""
"4346953","12.6901","0.0012","18.1961","0.0017","32.254","0.003","90","","90.033","0.002","90","","7447.8","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Ph4P)3[Ga(C5O5)3]","","","- C89 H68 Ga O17 P3 -","- C89 H68 Ga O17 P3 -","- C356 H272 Ga4 O68 P12 -","4","1","","Zadrozny, Joseph M.; Freedman, Danna E.","Qubit Control Limited by Spin-Lattice Relaxation in a Nuclear Spin-Free Iron(III) Complex.","Inorganic chemistry","2015","54","24","12027","12031","10.1021/acs.inorgchem.5b02429","","","1.54178","CuKα","","0.0338","0.0324","","","0.0869","0.0922","","","","","","1.09","","","","has coordinates,has disorder","232081","2020-10-21","18:00:00",""
"4346965","10.5763","0.0004","10.8603","0.0003","12.8858","0.0004","90","","99.145","0.003","90","","1461.27","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Fe N6 -","- C32 H48 Fe N6 -","- C64 H96 Fe2 N12 -","2","0.5","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0363","0.0323","","","0.0791","0.0815","","","","","","1.037","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346966","9.5417","0.0002","13.5415","0.0003","13.9601","0.0003","90","","96.172","0.002","90","","1793.31","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B2 F8 Fe N6 -","- C32 H50 B2 F8 Fe N6 -","- C64 H100 B4 F16 Fe2 N12 -","2","0.5","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKαα","","0.0374","0.0364","","","0.0903","0.091","","","","","","1.05","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346967","9.6664","0.0004","12.2399","0.0004","14.2305","0.0005","87.229","0.003","79.769","0.003","88.964","0.003","1654.91","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Cl2 Fe N6 Ni -","- C32 H48 Cl2 Fe N6 Ni -","- C64 H96 Cl4 Fe2 N12 Ni2 -","2","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0432","0.0331","","","0.0716","0.0755","","","","","","1.045","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346968","9.5888","0.0004","14.2461","0.0007","12.1046","0.0006","90","","90","","90","","1653.52","0.13","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H48 Cl2 Fe N6 Pd -","- C32 H48 Cl2 Fe N6 Pd -","- C64 H96 Cl4 Fe2 N12 Pd2 -","2","0.5","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0319","0.0312","","","0.0822","0.0828","","","","","","1.045","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346969","18.8777","0.0005","10.1815","0.0003","25.2671","0.0007","90","","108.393","0.003","90","","4608.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Cl11 Fe N6 Pd -","- C35 H51 Cl11 Fe N6 Pd -","- C140 H204 Cl44 Fe4 N24 Pd4 -","4","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.054","0.0324","","","0.0569","0.0632","","","","","","1.034","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346970","9.6782","0.0004","21.1518","0.0008","21.77","0.0008","111.667","0.004","93.573","0.004","101.669","0.004","4009.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H57.5 Cl3 Fe N7 O1.25 Pd -","- C34.5 H54 Cl3 Fe N7 O Pd -","- C138 H216 Cl12 Fe4 N28 O4 Pd4 -","4","2","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0463","0.0437","","","0.109","0.1107","","","","","","1.084","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346971","9.5188","0.0004","21.3194","0.0009","21.5891","0.0009","64.701","0.004","77.45","0.004","86.256","0.003","3864.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H100 Cl10 Fe2 N12 Pd3 -","- C66 H100 Cl10 Fe2 N12 Pd3 -","- C132 H200 Cl20 Fe4 N24 Pd6 -","2","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0715","0.0452","","","0.0966","0.1089","","","","","","1.058","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346972","9.8323","0.0003","12.8828","0.0004","17.3905","0.0006","92.969","0.003","99.019","0.003","107.107","0.003","2068.11","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H52 B Cl5 F4 Fe N6 Pd -","- C34 H52 B Cl5 F4 Fe N6 Pd -","- C68 H104 B2 Cl10 F8 Fe2 N12 Pd2 -","2","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0406","0.0304","","","0.0597","0.0635","","","","","","1.061","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346973","17.1643","0.0004","17.159","0.0005","26.0656","0.0008","90","","90","","90","","7676.9","0.4","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H51 B2 D3 F8 Fe N7 Ni -","- C34 H51 B2 F8 Fe N7 Ni -","- C272 H408 B16 F64 Fe8 N56 Ni8 -","8","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0442","0.0418","","","0.1052","0.107","","","","","","1.05","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4346974","9.792","0.0004","11.4004","0.0004","19.621","0.0006","91.876","0.003","92.225","0.003","107.924","0.003","2080.17","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 B2 F8 Fe N8 Pd -","- C36 H51 B2 F8 Fe N8 Pd -","- C72 H102 B4 F16 Fe2 N16 Pd2 -","2","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0613","0.0481","","","0.1104","0.1171","","","","","","1.048","","","","has coordinates,has disorder","232085","2020-10-21","18:00:00",""
"4346975","16.8281","0.0004","10.0532","0.0002","23.8833","0.0005","90","","92.067","0.002","90","","4037.86","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 B2 F8 Fe N6 Ni P -","- C35 H57 B2.001 F8.004 Fe N6 Ni P -","- C140 H228 B8.004 F32.016 Fe4 N24 Ni4 P4 -","4","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0705","0.0474","","","0.1059","0.1174","","","","","","1.034","","","","has coordinates,has disorder","232085","2020-10-21","18:00:00",""
"4346976","16.94233","0.0001","9.97123","0.00005","24.10385","0.0001","90","","91.906","0.001","90","","4069.75","0.04","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 B2 F8 Fe N6 P Pd -","- C35 H57 B2 F8 Fe N6 P Pd -","- C140 H228 B8 F32 Fe4 N24 P4 Pd4 -","4","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0353","0.0343","","","0.0881","0.0889","","","","","","1.055","","","","has coordinates,has disorder","232085","2020-10-21","18:00:00",""
"4346977","19.7186","0.0004","12.9172","0.0002","21.8301","0.0004","90","","93.138","0.002","90","","5551.99","0.17","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H69 B2 Cl F8 Fe N6 O0.5 P Pd -","- C50 H63 B2 F8 Fe N6 P Pd -","- C200 H252 B8 F32 Fe4 N24 P4 Pd4 -","4","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","0.71073","MoKα","","0.0679","0.0487","","","0.0966","0.103","","","","","","1.11","","","","has coordinates,has disorder","232085","2020-10-21","18:00:00",""
"4348273","8.0036","0.0003","8.7265","0.0003","18.6255","0.0007","76.921","0.003","85.191","0.003","74.312","0.003","1219.56","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl2 N O Ru -","- C12 H13 Cl2 N O Ru -","- C48 H52 Cl8 N4 O4 Ru4 -","4","2","","Tyagi, Deepika; Rai, Rohit K.; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Phosphine-free ruthenium-arene complex for low temperature one-pot catalytic conversion of aldehydes to primary amides in water","Inorganic Chemistry Frontiers","2015","2","2","116","","10.1039/C4QI00115J","","","0.71073","MoKα","","0.11","0.0829","","","0.2091","0.2353","","","","","","1.047","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4348287","7.4845","0.0015","18.648","0.004","11.768","0.002","90","","90.46","0.03","90","","1642.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O9 -","- C12 H14 N6 O9 -","- C48 H56 N24 O36 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1196","0.065","","","0.141","0.1657","","","","","","1.025","","","","has coordinates","232864","2020-10-21","18:00:00",""
"4348288","14.716","0.003","17.249","0.003","10.967","0.002","90","","94.24","0.03","90","","2776.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N4 O5 P -","- C12 H11 N4 O5 P -","- C96 H88 N32 O40 P8 -","8","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1184","0.0587","","","0.1412","0.1673","","","","","","1.038","","","","has coordinates","232864","2020-10-21","18:00:00",""
"4348289","10.637","0.002","13.967","0.003","21.237","0.004","82.92","0.03","76.08","0.03","69.64","0.03","2868.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 I11 N12 O5 -","- C36 H33 I11 N12 O5 -","- C72 H66 I22 N24 O10 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1064","0.053","","","0.0872","0.1059","","","","","","1.025","","","","has coordinates","232864","2020-10-21","18:00:00",""
"4348290","10.491","0.002","10.784","0.002","14.359","0.003","73.3","0.03","76.73","0.03","80.13","0.03","1504.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 F12 N8 O3 P2 -","- C24 H20 F12 N8 O3 P2 -","- C48 H40 F24 N16 O6 P4 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.1169","0.077","","","0.2014","0.2344","","","","","","1.037","","","","has coordinates,has disorder","232864","2020-10-21","18:00:00",""
"4348291","5.403","0.0011","19.358","0.004","16.265","0.003","90","","95.94","0.03","90","","1692","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B2 F8 N4 O2 -","- C12 H12 B2 F8 N4 O2 -","- C48 H48 B8 F32 N16 O8 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.2162","0.0915","","","0.2035","0.2614","","","","","","1.03","","","","has coordinates,has disorder","232864","2020-10-21","18:00:00",""
"4348292","8.4767","0.0017","8.9502","0.0018","9.2925","0.0019","80.43","0.03","78.98","0.03","80.97","0.03","676.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 B F4 N4 O -","- C12 H9 B F4 N4 O -","- C24 H18 B2 F8 N8 O2 -","2","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.0923","0.0653","","","0.1845","0.2059","","","","","","1.046","","","","has coordinates","232864","2020-10-21","18:00:00",""
"4348293","7.2667","0.0015","13.421","0.003","14.883","0.003","90","","104.05","0.03","90","","1408.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O6 S -","- C12 H12 N4 O6 S -","- C48 H48 N16 O24 S4 -","4","1","","Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei","Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks","Inorganic Chemistry Frontiers","2015","2","3","263","","10.1039/C4QI00125G","","","0.71073","MoKα","","0.0472","0.0386","","","0.1021","0.1066","","","","","","1.105","","","","has coordinates","232864","2020-10-21","18:00:00",""
"4348294","8.123","0.003","29.002","0.009","28.873","0.014","90","","93.922","0.016","90","","6786","5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","P6_LT","","","- C45 H43 Cl4 N18 O3 Pd2 S7.5 -","- C45 H43 Cl4 N18 O3 Pd2 S7.5 -","- C180 H172 Cl16 N72 O12 Pd8 S30 -","4","1","","Matesanz, A. I.; Albacete, P.; Perles, J.; Souza, P.","A structural and biological study on the new 3,5-diacetyl-1,2,4-triazol bis(p-chlorophenylthiosemicarbazone) ligand and its bimetallic complexes","Inorganic Chemistry Frontiers","2015","2","1","75","","10.1039/C4QI00128A","","","0.71073","","","0.1465","0.1178","","","0.3175","0.3451","","","","","","1.028","","","","has coordinates,has disorder","232865","2020-10-21","18:00:00",""
"4348295","14.6278","0.0002","15.606","0.0002","15.6896","0.0003","66.436","0.001","81.756","0.001","68.305","0.001","3050.39","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","P2","","","- C46 H50 Cl4 N18 O3 Pt2 S7 -","- C46 H50 Cl4 N18 O3 Pt2 S7 -","- C92 H100 Cl8 N36 O6 Pt4 S14 -","2","1","","Matesanz, A. I.; Albacete, P.; Perles, J.; Souza, P.","A structural and biological study on the new 3,5-diacetyl-1,2,4-triazol bis(p-chlorophenylthiosemicarbazone) ligand and its bimetallic complexes","Inorganic Chemistry Frontiers","2015","2","1","75","","10.1039/C4QI00128A","","","0.71073","","","0.0812","0.0434","","","0.1126","0.1454","","","","","","1.043","","","","has coordinates","232865","2020-10-21","18:00:00",""
"4348301","5.2386","0.001","11.3793","0.0017","10.8544","0.0018","90","","92.222","0.011","90","","646.56","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cu N4 O10 -","- C10 H4 Cu N4 O10 -","- C20 H8 Cu2 N8 O20 -","2","0.5","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0775","0.061","","","0.1733","0.1868","","","","","","1.097","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348302","5.2909","0.0002","12.0901","0.0005","13.9601","0.0005","90","","90.199","0.002","90","","892.99","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 Mn N2 O7 -","- C5 H8 Mn N2 O7 -","- C20 H32 Mn4 N8 O28 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0462","0.0319","","","0.071","0.0826","","","","","","1.064","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348303","12.9385","0.0003","6.731","0.0001","17.024","0.0004","90","","90","","90","","1482.6","0.05","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 3","","- C5 H5 Mn N2 O6 -","- C5 H5 Mn N2 O6 -","- C40 H40 Mn8 N16 O48 -","8","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0348","0.0274","","","0.0862","0.1113","","","","","","1.328","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348304","14.154","0.003","6.6209","0.0013","15.047","0.003","90","","117.39","0.03","90","","1252","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cu N3 O7 -","- C10 H11 Cu N3 O7 -","- C40 H44 Cu4 N12 O28 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.1001","0.0869","","","0.2256","0.2402","","","","","","1.08","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348305","10.3949","0.0002","11.3275","0.0002","18.6129","0.0003","90","","102.999","0.001","90","","2135.47","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 N5 Ni O5 -","- C20 H13 N5 Ni O5 -","- C80 H52 N20 Ni4 O20 -","4","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0515","0.0389","","","0.0838","0.0881","","","","","","1.032","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348308","14.111","0.0005","15.3337","0.0005","18.7087","0.0006","78.679","0.003","84.134","0.002","71.745","0.003","3765.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C143 H111 Cl9 Co4 N24 O31 P4 -","- C143 H111 Cl9 Co4 N24 O31 P4 -","- C143 H111 Cl9 Co4 N24 O31 P4 -","1","0.5","","Feng, Juan; Li, Hongmiao; Yang, Qiuli; Wei, Shi-Chao; Zhang, Jianyong; Su, Cheng-Yong","A two-dimensional flexible porous coordination polymer based on Co(ii) and terpyridyl phosphine oxide","Inorganic Chemistry Frontiers","2015","2","4","388","","10.1039/C4QI00138A","","","1.54178","CuKα","","0.0974","0.07","","","0.1851","0.2077","","","","","","1.025","","","","has coordinates","232870","2020-10-21","18:00:00",""
"4348309","23.862","0.0006","8.593","0.0001","19.0584","0.0005","90","","90","","90","","3907.85","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H29 Cl3 Co N5 O7 P -","- C40 H29 Cl3 Co N5 O7 P -","- C160 H116 Cl12 Co4 N20 O28 P4 -","4","1","","Feng, Juan; Li, Hongmiao; Yang, Qiuli; Wei, Shi-Chao; Zhang, Jianyong; Su, Cheng-Yong","A two-dimensional flexible porous coordination polymer based on Co(ii) and terpyridyl phosphine oxide","Inorganic Chemistry Frontiers","2015","2","4","388","","10.1039/C4QI00138A","","","1.54178","CuKα","","0.0812","0.0611","","","0.1472","0.1588","","","","","","1.027","","","","has coordinates","232870","2020-10-21","18:00:00",""
"4348311","8.886","0.002","10.307","0.003","12.913","0.003","68.732","0.011","70.997","0.018","85.639","0.018","1040.9","0.5","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Cu N6 O4 S -","- C23 H16 Cu N6 O4 S -","- C46 H32 Cu2 N12 O8 S2 -","2","1","","Li, Peng; Regati, Sridhar; Huang, Huicai; Arman, Hadi D.; Zhao, John C.-G.; Chen, Banglin","A metal‒organic framework as a highly efficient and reusable catalyst for the solvent-free 1,3-dipolar cycloaddition of organic azides to alkynes","Inorganic Chemistry Frontiers","2015","2","1","42","","10.1039/C4QI00148F","","","0.71073","MoKα","","0.0375","0.0361","","","0.0928","0.0947","","","","","","0.996","","","","has coordinates","232872","2020-10-21","18:00:00",""
"4348313","7.026","0.003","10.737","0.005","13.782","0.006","104.485","0.005","96.215","0.008","103.909","0.003","961.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 N4 Ni O12 P2 -","- C28 H54 N4 Ni O12 P2 -","- C28 H54 N4 Ni O12 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.0406","0.0372","","","0.1286","0.1381","","","","","","1.259","","","","has coordinates","232874","2020-10-21","18:00:00",""
"4348314","7.23","0.02","11.02","0.04","14.09","0.04","104.67","0.04","96.2","0.02","104.44","0.07","1034","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Co N4 O12 P2 -","- C28 H52 Co0.987 N4 O12 P2 -","- C28 H52 Co0.987 N4 O12 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.1138","0.1067","","","0.3254","0.3401","","","","","","1.366","","","","has coordinates","276344","2022-06-28","16:19:28",""
"4348315","9.877","0.004","23.87","0.009","24.139","0.009","90","","97.363","0.009","90","","5644","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Cd N12 O9 P2 -","- C52 H68 Cd N12 O9 P2 -","- C208 H272 Cd4 N48 O36 P8 -","4","1","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.0817","0.075","","","0.1957","0.2026","","","","","","1.047","","","","has coordinates","276344","2022-06-28","16:19:29",""
"4348325","29.7719","0.0017","13.6473","0.0006","11.1274","0.0007","90","","109.043","0.007","90","","4273.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Mn N8 O10 P2 -","- C36 H56 Mn N8 O10 P2 -","- C144 H224 Mn4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0627","0.0474","","","0.1265","0.1324","","","","","","0.946","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348326","28.612","0.005","13.113","0.005","11.789","0.005","90","0.005","91.344","0.005","90","0.005","4422","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Co N8 O10 P2 -","- C36 H56 Co N8 O10 P2 -","- C144 H224 Co4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0973","0.0754","","","0.2169","0.2308","","","","","","0.997","","","","has coordinates,has disorder","232876","2020-10-21","18:00:00",""
"4348327","28.527","","13.224","","11.761","","90","","91.26","","90","","4435.66","","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cu N8 O10 P2 -","- C36 H56 Cu N8 O10 P2 -","- C144 H224 Cu4 N32 O40 P8 -","4","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","1.54178","CuKα","","0.0854","0.08","","","0.2314","0.2409","","","","","","1.01","","","","has coordinates,has disorder","232876","2020-10-21","18:00:00",""
"4348328","8.7071","0.0003","8.8842","0.0003","14.321","0.0003","91.155","0.002","92.669","0.002","102.119","0.002","1081.44","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cd N8 O10 P2 -","- C36 H56 Cd N8 O10 P2 -","- C36 H56 Cd N8 O10 P2 -","1","0.5","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71073","MoKα","","0.0242","0.0234","","","0.0617","0.062","","","","","","1.08","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348329","14.296","0.007","13.946","0.006","22.881","0.011","90","","93.456","0.008","90","","4554","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Mn N4 O10 P2 -","- C40 H60 Mn N4 O10 P2 -","- C160 H240 Mn4 N16 O40 P8 -","4","1","","Rajakannu, Palanisamy; Howlader, Rana; Kalita, Alok Ch.; Butcher, Raymond J.; Murugavel, Ramaswamy","Role of 4,4′-bipyridine versus longer spacers 4,4′-azobipyridine, 1,2-bis(4-pyridyl)ethylene, and 1,2-bis(pyridin-3-ylmethylene)hydrazine in the formation of thermally labile metallophosphate coordination polymers","Inorganic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QI00149D","","","0.71075","MoKα","","0.2068","0.1636","","","0.3587","0.3788","","","","","","1.064","","","","has coordinates","232876","2020-10-21","18:00:00",""
"4348334","10.197","0.002","10.504","0.002","14.735","0.003","89.36","0.03","79.33","0.03","64.21","0.03","1392.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Br2 N2 Ni O -","- C27 H36 Br2 N2 Ni O -","- C54 H72 Br4 N4 Ni2 O2 -","2","1","","Sun, Zelin; Yue, Erlin; Qu, Mengnan; Oleynik, Irina V.; Oleynik, Ivan I.; Li, Kanshe; Liang, Tongling; Zhang, Wenjuan; Sun, Wen-Hua","8-(2-Cycloalkylphenylimino)-5,6,7-trihydro-quinolylnickel halides: polymerizing ethylene to highly branched and lower molecular weight polyethylenes","Inorganic Chemistry Frontiers","2015","2","3","223","","10.1039/C4QI00162A","","","0.71073","MoKα","","","0.0503","","","0.1402","0.1478","","","","","","1.003","","","","has coordinates","232878","2020-10-21","18:00:00",""
"4348335","20.796","0.003","20.796","0.003","17.869","0.004","90","","90","","90","","7728","2","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","JUC155","","- C21 H7 Co2 N O15 Zn -","- C21 H7 Co2 N O15 Zn -","- C168 H56 Co16 N8 O120 Zn8 -","8","0.5","","Chen, Siru; Xue, Ming; Li, Yanqiang; Pan, Ying; Zhu, Liangkui; Zhang, Daliang; Fang, Qianrong; Qiu, Shilun","Porous ZnCo2O4 nanoparticles derived from a new mixed-metal organic framework for supercapacitors","Inorganic Chemistry Frontiers","2015","2","2","177","","10.1039/C4QI00167B","","","0.71073","MoKα","","0.085","0.0787","","","0.1679","0.1721","","","","","","1.009","","","","has coordinates","232879","2020-10-21","18:00:00",""
"4348342","6.262","0.011","23.89","0.04","11.132","0.019","90","","104.46","0.03","90","","1613","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 B2 Cu3 F8 N12 -","- C32 H20 B2 Cu3 F8 N12 -","- C64 H40 B4 Cu6 F16 N24 -","2","0.5","","Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Planar trinuclear complexes with linear arrays of metal ions","Inorganic Chemistry Frontiers","2015","2","2","125","","10.1039/C4QI00172A","","","0.71073","MoKα","","0.1059","0.0868","","","0.2123","0.2238","","","","","","1.171","","","","has coordinates","232881","2020-10-21","18:00:00",""
"4348343","9.771","0.004","14.196","0.006","14.513","0.006","90","","90.374","0.008","90","","2013","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 F8 N12 Ni3 O4 -","- C36 H32 B2 F8 N12 Ni3 O4 -","- C72 H64 B4 F16 N24 Ni6 O8 -","2","0.5","","Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki","Planar trinuclear complexes with linear arrays of metal ions","Inorganic Chemistry Frontiers","2015","2","2","125","","10.1039/C4QI00172A","","","0.71073","MoKα","","0.0943","0.0827","","","0.2113","0.2299","","","","","","1.071","","","","has coordinates","232881","2020-10-21","18:00:00",""
"4348344","21.896","0.003","13.118","0.0014","12.3002","0.0014","90","","107.635","0.002","90","","3367","0.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O7 S -","- C14 H10 Cd O7 S -","- C112 H80 Cd8 O56 S8 -","8","1","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Structural studies and detection of nitroaromatics by luminescent 2D coordination polymers with angular dicarboxylate ligands","Inorganic Chemistry Frontiers","2015","2","3","228","","10.1039/C4QI00175C","","","0.71073","MoKα","","0.0482","0.0404","","","0.0955","0.0989","","","","","","1.115","","","","has coordinates","232882","2020-10-21","18:00:00",""
"4348345","14.0167","0.0019","6.0416","0.0008","19.452","0.003","90","","93.811","0.002","90","","1643.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O14 S2 Zn3 -","- C32 H28 N2 O14 S2 Zn3 -","- C64 H56 N4 O28 S4 Zn6 -","2","0.5","","Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Structural studies and detection of nitroaromatics by luminescent 2D coordination polymers with angular dicarboxylate ligands","Inorganic Chemistry Frontiers","2015","2","3","228","","10.1039/C4QI00175C","","","0.71073","MoKα","","0.0947","0.0768","","","0.1494","0.1565","","","","","","1.212","","","","has coordinates","232882","2020-10-21","18:00:00",""
"4348347","8.9104","0.0008","12.1555","0.001","13.0201","0.0011","63.614","0.004","76.124","0.004","84.538","0.003","1226.32","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Br2 N2 O6 U -","- C26 H16 Br2 N2 O6 U -","- C52 H32 Br4 N4 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0307","0.0255","","","0.0481","0.0496","","","","","","1.013","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348348","12.4466","0.0008","21.6789","0.0013","9.411","0.0006","90","","95.249","0.004","90","","2528.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br2 N2 O6 U -","- C26 H16 Br2 N2 O6 U -","- C104 H64 Br8 N8 O24 U4 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0537","0.0311","","","0.056","0.0623","","","","","","1.005","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348349","14.2282","0.0008","6.5817","0.0004","16.178","0.0009","90","","115.259","0.005","90","","1370.15","0.15","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Br4 N2 O7 U -","- C26 H14 Br4 N2 O7 U -","- C52 H28 Br8 N4 O14 U2 -","2","0.5","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0372","0.0279","","","0.0512","0.0543","","","","","","1.024","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348350","7.576","0.006","15.177","0.006","16.86","0.007","90","","102.094","0.006","90","","1895.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N4 O20 U4 -","- C28 H26 N4 O20 U4 -","- C56 H52 N8 O40 U8 -","2","0.5","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0265","0.0204","","","0.044","0.0453","","","","","","1.054","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348351","8.1393","0.0003","14.2487","0.0004","17.1933","0.0005","91.87","0.003","97.985","0.002","98.728","0.002","1948.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br3 N3 O12 U2 -","- C36 H23 Br3 N3 O12 U2 -","- C72 H46 Br6 N6 O24 U4 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0561","0.0322","","","0.0654","0.0724","","","","","","1.005","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348352","8.7005","0.0004","10.3737","0.0005","16.696","0.0008","107.848","0.004","95.093","0.004","95.359","0.003","1417.13","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 Br2 N3 O6 U -","- C29 H19 Br2 N3 O6 U -","- C58 H38 Br4 N6 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0447","0.0318","","","0.0652","0.0695","","","","","","1.011","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348353","13.8471","0.001","17.059","0.0012","14.0709","0.001","90","","115.488","0.001","90","","3000.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Br4 N3 O6 U -","- C29 H17 Br4 N3 O6 U -","- C116 H68 Br16 N12 O24 U4 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0427","0.0273","","","0.0495","0.0538","","","","","","1.007","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348354","20.6384","0.0009","7.4578","0.0003","26.5728","0.0012","90","","105.647","0.006","90","","3938.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Br3 N3 O12 U2 -","- C36 H23 Br3 N3 O12 U2 -","- C144 H92 Br12 N12 O48 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0784","0.0499","","","0.1195","0.135","","","","","","1.146","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348355","20.7772","0.0008","7.9807","0.0003","25.7089","0.001","90","","110.925","0.001","90","","3981.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br3 Cl N3 O11 U2 -","- C36 H22 Br3 Cl N3 O11 U2 -","- C144 H88 Br12 Cl4 N12 O44 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0483","0.03","","","0.0607","0.0664","","","","","","1.017","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348356","8.994","0.0003","10.4251","0.0004","16.3687","0.0006","104.094","0.002","94.879","0.002","96.417","0.003","1469.19","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H18 Br2 Cl N3 O6 U -","- C29 H18 Br2 Cl N3 O6 U -","- C58 H36 Br4 Cl2 N6 O12 U2 -","2","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0661","0.0383","","","0.0758","0.0859","","","","","","1.013","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348357","18.8629","0.0013","8.6591","0.0006","26.9328","0.0019","90","","107.231","0.003","90","","4201.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Br6 Cl N3 O11 U2 -","- C36 H19 Br6 Cl N3 O11 U2 -","- C144 H76 Br24 Cl4 N12 O44 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0678","0.0374","","","0.0628","0.0715","","","","","","1.01","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348358","20.7962","0.0008","7.5283","0.0006","26.7408","0.0011","90","","106.168","0.005","90","","4021","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 Br3 Cl N3 O12 U2 -","- C36 H22 Br3 Cl N3 O12 U2 -","- C144 H88 Br12 Cl4 N12 O48 U8 -","4","1","","Carter, Korey P.; Cahill, Christopher L.","Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state","Inorganic Chemistry Frontiers","2015","2","2","141","","10.1039/C4QI00183D","","x-ray","0.71073","MoKα","","0.0728","0.039","","","0.0671","0.0769","","","","","","1.003","","","","has coordinates","232884","2020-10-21","18:00:00",""
"4348363","21.692","0.003","7.4594","0.0009","9.8769","0.0012","90","","91.687","0.002","90","","1597.5","0.4","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H13 N5 O5 Zn2 -","- C12 H13 N5 O5 Zn2 -","- C48 H52 N20 O20 Zn8 -","4","0.5","","Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism","Inorganic Chemistry Frontiers","2015","2","2","136","","10.1039/C4QI00190G","","","0.71073","MoKα","","0.0327","0.0305","","","0.0747","0.0761","","","","","","1.048","","","","has coordinates,has disorder","232887","2020-10-21","18:00:00",""
"4348364","14.214","0.003","7.4339","0.0016","7.5208","0.0016","90","","90","","90","","794.7","0.3","93","2","93","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C12 H13 N5 O5 Zn2 -","- C12 H13 N5 O5 Zn2 -","- C24 H26 N10 O10 Zn4 -","2","0.25","","Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism","Inorganic Chemistry Frontiers","2015","2","2","136","","10.1039/C4QI00190G","","","0.71073","MoKα","","0.0441","0.0364","","","0.0906","0.0941","","","","","","1.086","","","","has coordinates,has disorder","232887","2020-10-21","18:00:00",""
"4348365","6.62214","0.0001","6.62214","0.0001","6.65264","0.0001","90","","90","","120","","252.651","0.007","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C0 H3 B6 Bi3 O15 -","- B6 Bi3 H3 O15 -","- B6 Bi3 H3 O15 -","1","0.333333","","Cong, Rihong; Wang, Ying; Kang, Lei; Zhou, Zhengyang; Lin, Zheshuai; Yang, Tao","An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine","Inorganic Chemistry Frontiers","2015","2","2","170","","10.1039/C4QI00192C","","","0.71073","MoKα","","0.0443","0.0418","","","0.0915","0.0934","","","","","","1.018","","","","has coordinates","232888","2020-10-21","18:00:00",""
"4348368","13.103","0.004","30.424","0.006","23.434","0.005","90","","101.392","0.005","90","","9158","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 Gd2 N20 O47 -","- C66 H68 Gd2 N20 O47 -","- C264 H272 Gd8 N80 O188 -","4","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.0659","0.0502","","","0.1256","0.1387","","","","","","1.056","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348369","13.137","0.005","30.227","0.005","23.326","0.005","90","","102.075","0.005","90","","9058","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 Cl Gd2 N20 O45 -","- C73 H73 Cl Gd2 N20 O45 -","- C292 H292 Cl4 Gd8 N80 O180 -","4","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71069","MoKα","","0.0599","0.0445","","","0.1051","0.1137","","","","","","1.042","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348370","25.179","0.005","14.747","0.005","26.053","0.005","90","","94.964","0.005","90","","9638","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 F Gd N8 O27 -","- C34 H25 F Gd N8 O27 -","- C272 H200 F8 Gd8 N64 O216 -","8","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.093","0.0626","","","0.1607","0.1833","","","","","","1.035","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348371","25.466","0.005","14.961","0.005","26.14","0.005","90","0.005","94.842","0.005","90","0.005","9924","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Gd N9 O26 -","- C38 H34 Gd N9 O26 -","- C304 H272 Gd8 N72 O208 -","8","1","","Pal, Tapan K.; De, Dinesh; Neogi, Subhadip; Bharadwaj, Parimal K.","Guest dependent reversible single-crystal to single-crystal structural transformation in a flexible Gd(iii)-coordination polymer","Inorganic Chemistry Frontiers","2015","2","4","395","","10.1039/C4QI00193A","","","0.71073","MoKα","","0.1222","0.0831","","","0.2171","0.252","","","","","","1.026","","","","has coordinates","232891","2020-10-21","18:00:00",""
"4348373","10.616","0.005","11.949","0.004","14.908","0.006","80.973","0.006","83.402","0.006","73.213","0.005","1783.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Co3 N8 O16 S2 -","- C68 H62 Co3 N8 O16 S2 -","- C68 H62 Co3 N8 O16 S2 -","1","0.5","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo","A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane","Inorganic Chemistry Frontiers","2015","2","2","157","","10.1039/C4QI00201F","","","0.71069","MoKα","","0.0701","0.0476","","","0.1308","0.1459","","","","","","1.013","","","","has coordinates","232893","2020-10-21","18:00:00",""
"4348374","10.6094","0.0006","11.9098","0.0006","14.7412","0.0007","81.495","0.004","83.114","0.004","72.479","0.005","1751.07","0.16","331","2","331","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H62 Co3 N8 O14 S2 -","- C68 H62 Co3 N8 O14 S2 -","- C68 H62 Co3 N8 O14 S2 -","1","0.5","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Pfrunder, Michael C.; Garribba, Eugenio; Huang, Jui-Hsien; Sinha, Chittaranjan; Maji, Tapas Kumar; Akitsu, Takashiro; Orita, Shingo","A 2-D coordination polymer incorporating cobalt(ii), 2-sulfoterephthalate and the flexible bridging ligand 1,3-di(4-pyridyl)propane","Inorganic Chemistry Frontiers","2015","2","2","157","","10.1039/C4QI00201F","","","0.71073","MoKα","","0.0788","0.0482","","","0.0854","0.0966","","","","","","1.008","","","","has coordinates,has disorder","232893","2020-10-21","18:00:00",""
"4348380","15.1973","0.0005","15.1973","0.0005","22.1529","0.0008","90","","90","","90","","5116.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu3-adeninato-k3-N3:N7:N9)(mu-butanoato-k2-O,O')nickel(II)]","","- C18 H22 N10 Ni2 O4 -","- C18 H22 N10 Ni2 O4 -","- C144 H176 N80 Ni16 O32 -","8","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","1.54184","CuKα","","0.1204","0.1155","","","0.2708","0.274","","","","","","1.064","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348381","9.1709","0.0004","11.7306","0.0004","12.9958","0.0004","90","","96.4","0.003","90","","1389.38","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-[bis(mu-acetato-kO:kO')bis(mu-acetato-kO:kO)bis(mu3-adeninato-k3-N3:N7:N9)trizinc(II)] trihydrate","","- C18 H26 N10 O11 Zn3 -","- C18 H20 N10 O11 Zn3 -","- C36 H40 N20 O22 Zn6 -","2","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","0.71073","MoKα","","0.0918","0.06","","","0.1265","0.1404","","","","","","1.041","","","","has coordinates,has disorder","232895","2020-10-21","18:00:00",""
"4348382","4.7692","0.0002","10.4912","0.0007","17.9695","0.001","90","","104.874","0.005","90","","868.97","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","poly-[(mu-acetato-kO:kO')(mu-hypoxanthinato-kN7:kN9)zinc(II)]","","- C7 H6 N4 O3 Zn -","- C7 H6 N4 O3 Zn -","- C28 H24 N16 O12 Zn4 -","4","1","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","1.5418","CuKα","","0.0474","0.0419","","","0.1131","0.117","","","","","","1.095","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348383","7.1579","0.0004","12.8195","0.0007","13.0602","0.0007","114.763","0.005","100.349","0.005","100.859","0.005","1022.83","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[bis(mu-adenine-kN3:kN9)diaquabis(mu-formato-kO:kO)bisformatodinickel(II)]-adeninium formate-formic acid (1/2/2)","","- C28 H36 N20 Ni2 O18 -","- C28 H36 N20 Ni2 O18 -","- C28 H36 N20 Ni2 O18 -","1","0.5","","Lanchas, Mónica; Arcediano, Sandra; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia","Towards multicomponent MOFs via solvent-free synthesis under conventional oven and microwave assisted heating","Inorganic Chemistry Frontiers","2015","2","5","425","","10.1039/C4QI00208C","","","0.71073","MoKα","","0.0543","0.0395","","","0.0948","0.1006","","","","","","1.039","","","","has coordinates","232895","2020-10-21","18:00:00",""
"4348387","27.913","0.002","9.7024","0.0007","22.807","0.0016","90","","109.518","0.001","90","","5821.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Co N4 O10 -","- C31 H23 Co N4 O10 -","- C248 H184 Co8 N32 O80 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0511","0.0416","","","0.1164","0.122","","","","","","1.067","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348388","9.4576","0.0004","11.757","0.0006","17.2174","0.0008","83.194","0.001","80.712","0.001","77.628","0.001","1838.47","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N6 Ni O11 -","- C42 H30 N6 Ni O11 -","- C84 H60 N12 Ni2 O22 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0526","0.0451","","","0.1091","0.1128","","","","","","1.041","","","","has coordinates,has disorder","232897","2020-10-21","18:00:00",""
"4348389","27.413","0.004","10.0478","0.0016","20.669","0.003","90","","105.821","0.003","90","","5477.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 Cu N4 O9 -","- C31 H21 Cu N4 O9 -","- C248 H168 Cu8 N32 O72 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0589","0.0435","","","0.1147","0.1234","","","","","","1.027","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348390","27.781","0.002","10.0395","0.0008","22.2588","0.0017","90","","109.215","0.001","90","","5862.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.041","0.0329","","","0.0912","0.0959","","","","","","1.067","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348391","10.0186","0.0006","10.2419","0.0006","14.6114","0.0008","90.753","0.001","93.934","0.001","90.747","0.001","1495.46","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H25 Cd N4 O11 -","- C62 H50 Cd2 N8 O22 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0355","0.0297","","","0.0719","0.0747","","","","","","1.018","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348392","10.0522","0.0016","11.4431","0.0018","15.205","0.002","96.493","0.003","102.803","0.003","105.101","0.002","1619.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Co N4 O12 -","- C31 H27 Co N4 O12 -","- C62 H54 Co2 N8 O24 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0511","0.0443","","","0.1429","0.1501","","","","","","1.084","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348393","16.7246","0.0007","16.7246","0.0007","59.874","0.005","90","","90","","120","","14503.8","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H18 N4 Ni O6 -","- C28 H18 N4 Ni O6 -","- C504 H324 N72 Ni18 O108 -","18","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0868","0.0637","","","0.1918","0.2021","","","","","","1.095","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348394","18.942","0.002","18.942","0.002","38.976","0.004","90","","90","","120","","12111","2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H18 Cu N4 O6 -","- C28 H16 Cu N4 O6 -","- C504 H288 Cu18 N72 O108 -","18","0.5","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0978","0.0801","","","0.2141","0.2269","","","","","","1.053","","","","has coordinates,has disorder","232897","2020-10-21","18:00:00",""
"4348395","11.847","0.0004","16.226","0.0005","14.7859","0.0005","90","","109.545","0.001","90","","2678.51","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8 Zn -","- C31 H20 N4 O8 Zn -","- C124 H80 N16 O32 Zn4 -","4","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.0304","0.0274","","","0.0735","0.0752","","","","","","1.026","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348396","14.1344","0.0019","14.1344","0.0019","20.396","0.003","90","","90","","120","","3528.8","0.8","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C25 H17 Cd Cl N4 O4 -","- C25 H17 Cd Cl N4 O4 -","- C150 H102 Cd6 Cl6 N24 O24 -","6","1","","Wang, Xiuli; Le, Mao; Lin, Hong-Yan; Luan, Jian; Liu, Guo-Cheng; Sui, Fang-Fang; Chang, Zhi-Han","Assembly, structures, photophysical properties and photocatalytic activities of a series of coordination polymers constructed from semi-rigid bis-pyridyl-bis-amide and benzenetricarboxylic acid","Inorganic Chemistry Frontiers","2015","2","4","373","","10.1039/C4QI00218K","","","0.71073","MoKα","","0.056","0.0406","","","0.0926","0.0987","","","","","","1.026","","","","has coordinates","232897","2020-10-21","18:00:00",""
"4348400","29.809","0.004","29.809","0.004","8.4384","0.0015","90","","90","","90","","7498.2","1.9","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H24 Cu1.5 N O9.25 -","- C17 H24 Cu1.5 N O9.25 -","- C272 H384 Cu24 N16 O148 -","16","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes","Inorganic Chemistry Frontiers","2015","2","6","525","","10.1039/C4QI00220B","","","0.71069","MoKα","","0.132","0.0735","","","0.1707","0.1994","","","","","","1.014","","","","has coordinates","232900","2020-10-21","18:00:00",""
"4348401","18.2009","0.0007","13.56","0.0004","13.3152","0.0005","90","","99.471","0.002","90","","3241.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cu3 N2 O14 -","- C30 H40 Cu3 N2 O14 -","- C120 H160 Cu12 N8 O56 -","4","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes","Inorganic Chemistry Frontiers","2015","2","6","525","","10.1039/C4QI00220B","","","0.71069","MoKα","","0.0405","0.0302","","","0.0697","0.0726","","","","","","1.066","","","","has coordinates","232900","2020-10-21","18:00:00",""
"4348404","16.951","0.002","20.589","0.003","25.375","0.004","90","","96.243","0.002","90","","8803","2","130","2","130","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H75 N O5 S14 Zn8 -","- C84 H75 N O5 S14 Zn8 -","- C336 H300 N4 O20 S56 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.0744","0.0694","","","0.1661","0.1694","","","","","","1.026","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348405","25.9462","0.0006","13.333","0.0002","28.9328","0.0005","90","","98.5","0.002","90","","9899.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H88 N2 S15 Zn8 -","- C104 H88 N2 S15 Zn8 -","- C416 H352 N8 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","1.54178","CuKα","","0.0953","0.074","","","0.1789","0.1937","","","","","","1.041","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348406","25.4629","0.0019","13.3084","0.001","29.022","0.002","90","","98.821","0.004","90","","9718.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H86 N4 S15 Zn8 -","- C102 H86 N4 S15 Zn8 -","- C408 H344 N16 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1212","0.1046","","","0.3357","0.3497","","","","","","1.007","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348407","13.3365","0.0004","13.4427","0.0004","29.4227","0.0009","90.982","0.002","91.336","0.002","106.792","0.003","5047","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H84 N2 S17 Zn8 -","- C102 H84 N2 S17 Zn8 -","- C204 H168 N4 S34 Zn16 -","2","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1547","0.1373","","","0.3721","0.3797","","","","","","1.125","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348408","13.0752","0.0005","25.2259","0.0009","31.8774","0.0013","90","","96.401","0.002","90","","10448.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H0 N4 S15 Zn8 -","- C108 N4 S15 Zn8 -","- C432 N16 S60 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1426","0.0663","","","0.161","0.1878","","","","","","0.889","","","","has coordinates,has disorder","232903","2020-10-21","18:00:00",""
"4348409","53.269","0.003","13.3807","0.0003","38.045","0.002","90","","133.037","0.009","90","","19821","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191 H0 N8 S32 Zn16 -","- C191 N8 S32 Zn16 -","- C764 N32 S128 Zn64 -","4","0.5","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.1241","0.0939","","","0.2469","0.2762","","","","","","1.01","","","","has coordinates,has disorder","232903","2020-10-21","18:00:00",""
"4348410","13.3661","0.0002","24.0675","0.0003","19.021","0.0004","90","","105.48","0.002","90","","5896.87","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 N2 S8 Zn4 -","- C60 H50 N2 S8 Zn4 -","- C240 H200 N8 S32 Zn16 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.0548","0.0334","","","0.0641","0.0726","","","","","","1.032","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348411","19.3609","0.001","31.6252","0.0018","18.4565","0.0009","90","","99.136","0.002","90","","11157.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H96 N4 S16 Zn8 -","- C116 H96 N4 S16 Zn8 -","- C464 H384 N16 S64 Zn32 -","4","1","","Zeng, Xianghua; Yao, Xiaojing; Zhang, Junyong; Zhang, Qi; Wu, Wenqian; Chai, Aihua; Wang, Jinlan; Zeng, Qingdao; Xie, Jingli","Construction of a series of zero-dimensional/one-dimensional crystalline Zn‒S clusters ‒ effect of the character of bridging organic ligands on structural diversity","Inorganic Chemistry Frontiers","2015","2","2","164","","10.1039/C4QI00227J","","","0.71073","MoKα","","0.083","0.0569","","","0.1284","0.1441","","","","","","1.029","","","","has coordinates","232903","2020-10-21","18:00:00",""
"4348413","8.4339","0.0017","10.588","0.002","10.687","0.002","66.082","0.002","82.662","0.002","82.739","0.002","862.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C42 H38 N6 O2 -","2","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0464","0.0396","","","0.0977","0.1023","","","","","","1.065","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348414","10.8758","0.0016","18.848","0.003","9.4682","0.0014","90","","92.429","0.002","90","","1939.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0497","0.0398","","","0.0972","0.1037","","","","","","1.053","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348415","10.2809","0.0009","10.3681","0.0009","10.6801","0.0009","62.458","0.005","79.593","0.005","70.395","0.006","950.45","0.15","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C50 H42 N6 O2 -","2","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","1.54178","CuKα","","0.039","0.0338","","","0.0911","0.0939","","","","","","1.084","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348416","9.9964","0.0003","9.9964","0.0003","16.0766","0.0007","90","","90","","120","","1391.27","0.08","110","2","110","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C66 H63 N9 O6 -","3","1","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","1.54178","CuKα","","0.0285","0.0275","","","0.0686","0.0692","","","","","","1.111","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348417","12.6374","0.0015","12.789","0.0015","12.804","0.0015","73.447","0.002","75.957","0.002","74.303","0.002","1878.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C88 H84 N12 O4 -","4","2","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0513","0.0424","","","0.1098","0.1153","","","","","","1.045","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348418","8.4363","0.0013","10.339","0.0016","10.9129","0.0017","65.535","0.002","86.346","0.002","85.211","0.002","862.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu N6 O2 -","- C42 H36 Cu N6 O2 -","- C42 H36 Cu N6 O2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0326","0.0317","","","0.0846","0.0853","","","","","","1.079","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348419","6.125","0.0008","11.514","0.0014","13.2365","0.0016","81.52","0.002","87.731","0.002","85.984","0.002","920.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu N6 O2 -","- C44 H40 Cu N6 O2 -","- C44 H40 Cu N6 O2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy","DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands","Inorganic Chemistry Frontiers","2015","2","8","780","","10.1039/C4QI00234B","","","0.71073","MoKα","","0.0266","0.0258","","","0.0677","0.0684","","","","","","1.071","","","","has coordinates","232905","2020-10-21","18:00:00",""
"4348420","33.152","0.002","14.4302","0.001","14.0799","0.001","90","","90","","90","","6735.7","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Co_Pyrene_1","","","- C56.15 H18 Co4 N2.65 O24.68 -","- C56.1527 H18 Co4 N2.6509 O24.6721 -","- C224.611 H72 Co16 N10.6036 O98.6884 -","4","0.5","","Gao, Wen-Yang; Palakurty, Sathvik; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Open metal sites dangled on cobalt trigonal prismatic clusters within porous MOF for CO2 capture","Inorganic Chemistry Frontiers","2015","2","4","369","","10.1039/C4QI00240G","","","0.41328","synchrotron","","0.1009","0.0705","","","0.1955","0.2175","","","","","","1.07","","","","has coordinates,has disorder","232906","2020-10-21","18:00:00",""
"4348422","10.0677","0.0003","15.6039","0.0005","20.1092","0.0005","78.1845","0.001","83.2542","0.0011","73.8005","0.0013","2963.23","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H58 N11 O15.5 Zn2 -","- C61 H46.5 N11 O15.5 Zn2 -","- C122 H93 N22 O31 Zn4 -","2","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Amide-containing zinc(ii) metal‒organic layered networks: a structure‒CO2 capture relationship","Inorganic Chemistry Frontiers","2015","2","5","477","","10.1039/C4QI00241E","","","0.71073","MoKα","","0.0844","0.0669","","","0.1773","0.1893","","","","","","1.067","","","","has coordinates,has disorder","232908","2020-10-21","18:00:00",""
"4348423","10.534","0.0002","15.0561","0.0002","15.8443","0.0003","90","","96.929","0.001","90","","2494.57","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N5 O6 Zn -","- C27 H22 N5 O6 Zn -","- C108 H88 N20 O24 Zn4 -","4","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Amide-containing zinc(ii) metal‒organic layered networks: a structure‒CO2 capture relationship","Inorganic Chemistry Frontiers","2015","2","5","477","","10.1039/C4QI00241E","","","0.71073","MoKα","","0.0484","0.0356","","","0.0841","0.0903","","","","","","1.032","","","","has coordinates","232908","2020-10-21","18:00:00",""
"4348425","9.1503","0.001","9.2244","0.001","15.1607","0.0016","87.9626","0.0018","76.3602","0.0017","75.8111","0.0018","1205.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H30 Cl Dy N3 O17 P3 -","- C9 H30 Cl Dy N3 O17 P3 -","- C18 H60 Cl2 Dy2 N6 O34 P6 -","2","1","","Ren, Min; Bao, Song-Song; Wang, Bing-Wu; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide phosphonates with pseudo-D5h local symmetry exhibiting magnetic and luminescence bifunctional properties","Inorganic Chemistry Frontiers","2015","2","6","558","","10.1039/C4QI00242C","","","0.71073","MoKα","","0.0274","0.0252","","","0.0599","0.0605","","","","","","1.003","","","","has coordinates,has disorder","232910","2020-10-21","18:00:00",""
"4348426","9.1535","0.0008","9.2424","0.0008","15.245","0.0013","88.204","0.001","76.292","0.001","75.813","0.001","1214.29","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H32 Cl Ho N3 O17 P3 -","- C9 H30 Cl Ho N3 O17 P3 -","- C18 H60 Cl2 Ho2 N6 O34 P6 -","2","1","","Ren, Min; Bao, Song-Song; Wang, Bing-Wu; Ferreira, Rute A. S.; Zheng, Li-Min; Carlos, Luis D.","Lanthanide phosphonates with pseudo-D5h local symmetry exhibiting magnetic and luminescence bifunctional properties","Inorganic Chemistry Frontiers","2015","2","6","558","","10.1039/C4QI00242C","","","0.71073","MoKα","","0.0257","0.0229","","","0.0558","0.0573","","","","","","1.041","","","","has coordinates,has disorder","232910","2020-10-21","18:00:00",""
"4348429","15.927","0.003","9.976","0.002","17.407","0.004","90","","101.138","0.004","90","","2713.7","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H40 B9 N Si2 Zr -","- C17 H40 B9 N Si2 Zr -","- C68 H160 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0977","0.0507","","","0.1193","0.1458","","","","","","1.034","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348430","19.577","0.003","9.9739","0.0013","16.926","0.002","90","","99.29","0.003","90","","3261.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 B9 N Si2 Zr -","- C23 H50 B9 N Si2 Zr -","- C92 H200 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0472","0.0341","","","0.0881","0.0961","","","","","","1.067","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348431","10.1753","0.0019","11.11","0.002","22.337","0.004","91.666","0.003","91.912","0.003","114.031","0.003","2302.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 B9 N Si2 Zr -","- C38 H56 B9 N Si2 Zr -","- C76 H112 B18 N2 Si4 Zr2 -","2","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.099","0.0748","","","0.22","0.2421","","","","","","0.956","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348432","10.1994","0.0015","11.6367","0.0016","15.352","0.002","80.628","0.003","74.97","0.003","76.18","0.003","1698.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B9 N Si2 Zr -","- C26 H48 B9 N Si2 Zr -","- C52 H96 B18 N2 Si4 Zr2 -","2","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0472","0.0368","","","0.0903","0.098","","","","","","1.065","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348433","19.53","0.002","10.2075","0.0012","20.64","0.002","90","","115.677","0.002","90","","3708.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 B9 N Si3 Zr -","- C28 H54 B9 N Si3 Zr -","- C112 H216 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.1204","0.0517","","","0.1252","0.1675","","","","","","0.986","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348434","18.3707","0.0015","10.6144","0.001","20.4646","0.0018","90","","115.754","0.002","90","","3594.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H58 B9 N Si3 Zr -","- C26 H58 B9 N Si3 Zr -","- C104 H232 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0723","0.0446","","","0.1045","0.1243","","","","","","1.055","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348435","10.7196","0.0014","17.942","0.002","16.946","0.002","90","","96.343","0.004","90","","3239.3","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 B9 N Si2 Zr -","- C25 H46 B9 N Si2 Zr -","- C100 H184 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0932","0.0794","","","0.1749","0.1831","","","","","","1.005","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348436","11.055","0.004","30.19","0.009","10.338","0.003","90","","107.929","0.006","90","","3282.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 B9 N Si3 Zr -","- C22 H50 B9 N Si3 Zr -","- C88 H200 B36 N4 Si12 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0638","0.0438","","","0.109","0.1229","","","","","","1.064","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348437","10.9093","0.001","9.5378","0.0009","34.342","0.003","90","","92.432","0.002","90","","3570.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H54 B9 N Si2 Zr -","- C26.5 H50 B9 N Si2 Zr -","- C106 H200 B36 N4 Si8 Zr4 -","4","1","","Liu, Dongmei; Qiu, Zaozao; Xie, Zuowei","Synthesis, structure, and alkyne insertion of a mixed-sandwich zirconacarborane alkyl","Inorganic Chemistry Frontiers","2015","2","5","467","","10.1039/C4QI00244J","","","0.71073","MoKα","","0.0894","0.0494","","","0.1216","0.1513","","","","","","1.067","","","","has coordinates","232913","2020-10-21","18:00:00",""
"4348886","58.419","0.006","20.302","0.002","7.4801","0.0008","90","","91.105","0.003","90","","8869.9","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1","","","- C30 H40 Mn3 N3 O19 -","- C29 H30 Mn3 N3 O15 -","- C232 H240 Mn24 N24 O120 -","8","1","","Liu, Jun-Liang; Huang, Guo-Zhang; Tong, Ming-Liang","Field-induced dynamic magnetic behaviour of a canted weak ferromagnetic chain material","Inorganic Chemistry Frontiers","2015","2","4","403","","10.1039/C5QI00004A","","","0.71073","MoKα","","0.1412","0.08","","","0.1904","0.2236","","","","","","0.905","","","","has coordinates","233469","2020-10-21","18:00:00",""
"4348887","35.738","0.007","19.551","0.004","25.253","0.005","90","","99.033","0.003","90","","17426","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H182 Cl2 Mn19 N4 O80 -","- C150 H140 Cl2 Mn19 N4 O60 -","- C600 H560 Cl8 Mn76 N16 O240 -","4","0.5","","Ida, Hiromichi; Shiga, Takuya; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetism of mixed-valence Mn19 and Mn21 complexes supported by alkylamine-based alkoxo-bridging ligands","Inorganic Chemistry Frontiers","2015","2","6","538","","10.1039/C5QI00013K","","","0.71073","MoKα","","0.1566","0.076","","","0.1705","0.1975","","","","","","1.029","","","","has coordinates,has disorder","233470","2020-10-21","18:00:00",""
"4348888","15.472","0.005","19.315","0.006","33.584","0.01","96.546","0.005","102.138","0.004","109.674","0.004","9051","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H224 Mn21 N9 O95 -","- C140 H155 Mn21 N9 O67 -","- C280 H310 Mn42 N18 O134 -","2","1","","Ida, Hiromichi; Shiga, Takuya; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetism of mixed-valence Mn19 and Mn21 complexes supported by alkylamine-based alkoxo-bridging ligands","Inorganic Chemistry Frontiers","2015","2","6","538","","10.1039/C5QI00013K","","","0.71073","MoKα","","0.1729","0.0723","","","0.1407","0.1642","","","","","","0.877","","","","has coordinates","233470","2020-10-21","18:00:00",""
"4348889","15.403","0.002","16.197","0.002","17.228","0.003","90","","109.552","0.002","90","","4050.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Au2 N P -","- C47 H42 Au2 N P -","- C188 H168 Au8 N4 P4 -","4","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71073","MoKα","","0.0499","0.034","","","0.0876","0.0967","","","","","","1.018","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348890","9.232","0.003","32.7364","0.0011","14.886","0.005","90","","104.784","0.006","90","","4350","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Au2 Cl4 N P -","- C47 H34 Au2 Cl4 N P -","- C188 H136 Au8 Cl16 N4 P4 -","4","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71071","MoKα","","0.0818","0.0637","","","0.1438","0.1522","","","","","","1.158","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348891","14.402","0.003","14.505","0.003","39.229","0.009","90","","100.194","0.004","90","","8066","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au2 N O3 P -","- C48 H36 Au2 N O3 P -","- C384 H288 Au16 N8 O24 P8 -","8","1","","Hung, Ling-Ling; Lam, Wai Han; Wong, Keith Man-Chung; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, luminescence and electrochemical properties of luminescent dinuclear mixed-valence gold complexes with alkynyl bridges","Inorganic Chemistry Frontiers","2015","2","5","453","","10.1039/C5QI00017C","","","0.71073","MoKα","","0.0768","0.0564","","","0.1204","0.128","","","","","","1.148","","","","has coordinates","233471","2020-10-21","18:00:00",""
"4348893","14.123","0.004","33.38","0.009","16.833","0.003","90","","111.943","0.016","90","","7361","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H148 N14 O55 Zn8 -","- C130 H144 N14 O55 Zn8 -","- C260 H288 N28 O110 Zn16 -","2","0.5","","Liu, Bo; Jiang, Ya-Hui; Li, Zhi-Sen; Hou, Lei; Wang, Yao-Yu","Selective CO2 adsorption in a microporous metal‒organic framework with suitable pore sizes and open metal sites","Inorganic Chemistry Frontiers","2015","2","6","550","","10.1039/C5QI00025D","","","0.71073","MoKα","","0.094","0.0684","","","0.2208","0.2493","","","","","","1.122","","","","has coordinates","233473","2020-10-21","18:00:00",""
"4348894","14.1192","0.0017","33.389","0.004","16.938","0.002","90","","111.664","0.002","90","","7421","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H42 O43 Zn8 -","- C92 H42 O43 Zn8 -","- C184 H84 O86 Zn16 -","2","0.5","","Liu, Bo; Jiang, Ya-Hui; Li, Zhi-Sen; Hou, Lei; Wang, Yao-Yu","Selective CO2 adsorption in a microporous metal‒organic framework with suitable pore sizes and open metal sites","Inorganic Chemistry Frontiers","2015","2","6","550","","10.1039/C5QI00025D","","","0.71073","MoKα","","0.1459","0.0706","","","0.1757","0.1898","","","","","","1.142","","","","has coordinates,has disorder","233473","2020-10-21","18:00:00",""
"4348896","13.0014","0.0005","16.8333","0.0006","24.6941","0.0009","90","","100.082","0.004","90","","5321","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 As2 Cl4 N2 O2 Ru S2 -","- C57 H46 As2 Cl4 N2 O2 Ru S2 -","- C228 H184 As8 Cl16 N8 O8 Ru4 S8 -","4","1","","Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Sugumar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappagounder; Balakumaran, Manickam Dakshinamoorthi; Kalaichelvan, Pudupalayam Thangavelu; Velmurugan, Krishnaswamy; Nandhakumar, Raju; Butcher, Ray Jay","Unprecedented formation of organo-ruthenium(ii) complexes containing 2-hydroxy-1-naphthaldehyde S-benzyldithiocarbazate: synthesis, X-ray crystal structure, DFT study and their biological activities in vitro","Inorganic Chemistry Frontiers","2015","2","7","620","","10.1039/C5QI00029G","","","0.71073","MoKα","","0.1199","0.0601","","","0.0939","0.1124","","","","","","1.013","","","","has coordinates,has disorder","233475","2020-10-21","18:00:00",""
"4348897","14.1173","0.0005","14.4593","0.0008","14.6783","0.0008","88.9","0.002","71.657","0.002","85.455","0.002","2835","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cl N2 O2 P2 Ru S2 -","- C56 H44 Cl N2 O2 P2 Ru S2 -","- C112 H88 Cl2 N4 O4 P4 Ru2 S4 -","2","1","","Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Sugumar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappagounder; Balakumaran, Manickam Dakshinamoorthi; Kalaichelvan, Pudupalayam Thangavelu; Velmurugan, Krishnaswamy; Nandhakumar, Raju; Butcher, Ray Jay","Unprecedented formation of organo-ruthenium(ii) complexes containing 2-hydroxy-1-naphthaldehyde S-benzyldithiocarbazate: synthesis, X-ray crystal structure, DFT study and their biological activities in vitro","Inorganic Chemistry Frontiers","2015","2","7","620","","10.1039/C5QI00029G","","","0.71073","MoKα","","0.1172","0.0642","","","0.1228","0.1499","","","","","","1.022","","","","has coordinates","233475","2020-10-21","18:00:00",""
"4348899","9.1116","0.0005","9.1187","0.0005","13.5556","0.0007","76.481","0.0017","85.819","0.0018","60.208","0.0013","949.09","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu2 I2 N4 S -","- C16 H16 Cu2 I2 N4 S -","- C32 H32 Cu4 I4 N8 S2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0287","0.0217","","","0.0398","0.0414","","","","","","1.058","","","","has coordinates,has disorder","233478","2020-10-21","18:00:00",""
"4348900","8.712","0.002","9.519","0.002","14.794","0.004","84.748","0.005","80.363","0.006","65.779","0.005","1102.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cu3 I3 N4 S -","- C15 H20 Cu3 I3 N4 S -","- C30 H40 Cu6 I6 N8 S2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0503","0.0452","","","0.1158","0.1181","","","","","","1.196","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348901","8.7035","0.0007","9.4819","0.0008","15.5066","0.0013","86.7966","0.0019","82.541","0.002","71.2768","0.0018","1201.58","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cu6 I6 N8 S2 -","- C38 H44 Cu6 I6 N8 S2 -","- C38 H44 Cu6 I6 N8 S2 -","1","0.5","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0354","0.0281","","","0.0676","0.0714","","","","","","1.06","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348902","9.3044","0.0006","12.4409","0.0008","26.2206","0.0016","103.477","0.001","95.743","0.002","96.496","0.001","2907.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu8 I8 N10 S2 -","- C42 H44 Cu8 I8 N10 S2 -","- C84 H88 Cu16 I16 N20 S4 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.","Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands","Inorganic Chemistry Frontiers","2015","2","11","1011","","10.1039/C5QI00030K","","","0.71073","MoKα","","0.0651","0.0564","","","0.146","0.153","","","","","","1.045","","","","has coordinates","233478","2020-10-21","18:00:00",""
"4348904","11.9214","0.0004","16.6064","0.0004","24.9688","0.0007","90","","102.516","0.003","90","","4825.6","0.2","99.99","0.18","99.99","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H21 F20 N5 O3.5 Zn -","- C50.5 H21 F20 N5 O3.5 Zn -","- C202 H84 F80 N20 O14 Zn4 -","4","1","","Yu, Yi; Furuyama, Taniyuki; Tang, Juan; Wu, Zhuo-Yan; Chen, Jia-Zhen; Kobayashi, Nagao; Zhang, Jun-Long","Stable iso-bacteriochlorin mimics from porpholactone: effect of a β-oxazolone moiety on the frontier π-molecular orbitals","Inorganic Chemistry Frontiers","2015","2","7","671","","10.1039/C5QI00054H","","","0.7107","MoKα","","0.1084","0.0913","","","0.2412","0.2522","","","","","","1.145","","","","has coordinates","233480","2020-10-21","18:00:00",""
"4348906","11.748","0.002","11.093","0.001","13.278","0.002","90","0.005","100.963","0.002","90","0.005","1698.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H42 Cl N7 Ni2 O12 -","- C24 H34 Cl N7 Ni2 O12 -","- C48 H68 Cl2 N14 Ni4 O24 -","2","1","","Das, Kuheli; Datta, Amitabha; Nandi, Soumendranath; Mane, Sandeep B.; Mondal, Sudipa; Massera, Chiara; Sinha, Chittaranjan; Hung, Chen-Hsiung; Askun, Tulin; Celikboyun, Pinar; Cantürk, Zerrin; Garribba, Eugenio; Akitsu, Takashiro","A Ni(ii) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study","Inorganic Chemistry Frontiers","2015","2","8","749","","10.1039/C5QI00060B","","","0.71069","MoKα","","0.0882","0.0543","","","0.1408","0.1641","","","","","","0.991","","","","has coordinates","233482","2020-10-21","18:00:00",""
"4348908","5.5238","0.0002","7.532","0.0003","17.7276","0.0007","90","","90.499","0.002","90","","737.53","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Cu N2 O10 -","- C6 H24 Cu N2 O10 -","- C12 H48 Cu2 N4 O20 -","2","0.5","","Roseiro, Alexandra P. S.; Adão, Pedro; Galvão, Adelino M.; Costa Pessoa, João; Botelho do Rego, Ana M.; Carvalho, M. Fernanda N. N.","Oxygen activation by copper camphor complexes","Inorganic Chemistry Frontiers","2015","2","11","1019","","10.1039/C5QI00064E","","","0.71073","MoKα","","0.034","0.025","","","0.065","0.0684","","","","","","1.043","","","","has coordinates","233484","2020-10-21","18:00:00",""
"4348912","13.365","0.0005","22.5332","0.0007","16.1797","0.0006","90","","109.799","0.005","90","","4584.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Dy N2 O6 -","- C55 H41 Dy N2 O6 -","- C220 H164 Dy4 N8 O24 -","4","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71073","MoKα","","0.0377","0.0268","","","0.0575","0.0622","","","","","","1.024","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348913","30.1199","0.0009","19.6717","0.0007","19.7248","0.0005","90","","97.169","0.003","90","","11595.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H41 Dy N2 O6 -","- C57 H41 Dy N2 O6 -","- C456 H328 Dy8 N16 O48 -","8","2","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71073","MoKα","","0.0987","0.0577","","","0.1498","0.1712","","","","","","0.945","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348914","25.036","0.005","19.728","0.005","25.887","0.004","90","","120.839","0.014","90","","10978","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C125 H90 Dy2 N8 O12 -","- C125 H90 Dy2 N8 O12 -","- C500 H360 Dy8 N32 O48 -","4","1","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71069","MoKα","","0.0651","0.042","","","0.1219","0.1438","","","","","","1.113","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348915","12.188","0.005","22.423","0.005","41.216","0.005","90","","100.394","0.009","90","","11079","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Dy N4 O6 -","- C63 H43 Dy N4 O6 -","- C504 H344 Dy8 N32 O48 -","8","2","","Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming","Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes","Inorganic Chemistry Frontiers","2015","2","9","827","","10.1039/C5QI00079C","","","0.71069","MoKα","","0.1121","0.0779","","","0.209","0.252","","","","","","1.076","","","","has coordinates","233487","2020-10-21","18:00:00",""
"4348918","5.6339","0.0001","14.1865","0.0004","16.1192","0.0004","90","","91.402","0.002","90","","1287.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,6-Di(pyrazol-1-yl)pyrid-4-yl]methylsulfone","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C48 H44 N20 O8 S4 -","4","1","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0433","0.036","","","0.0877","0.0925","","","","","","1.058","","","","has coordinates","233490","2020-10-21","18:00:00",""
"4348919","54.8011","0.0019","10.6074","0.0003","16.3787","0.0005","90","","90","","90","","9520.9","0.5","280","2","280","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.1097","0.078","","","0.2019","0.2215","","","","","","1.037","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348920","53.7002","0.0012","10.6448","0.0002","16.3472","0.0003","90","","90","","90","","9344.5","0.3","253","2","253","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C288 H264 Cl24 Fe12 N120 O96 S24 -","12","1.5","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0925","0.0796","","","0.217","0.2307","","","","","","1.031","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348921","16.3532","0.0004","17.2208","0.0005","21.9658","0.0007","90","","90","","90","","6185.9","0.3","240","2","240","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0904","0.0576","","","0.1432","0.1628","","","","","","1.028","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348922","16.2202","0.0004","17.165","0.0004","21.9195","0.0006","90","","90","","90","","6102.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0636","0.0488","","","0.111","0.1198","","","","","","1.037","","","","has coordinates","233490","2020-10-21","18:00:00",""
"4348925","11.665","0.003","6.7814","0.0015","48.532","0.011","90","","94.167","0.004","90","","3829","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl4 Cu3 N15 O5 -","- C28 H21 Cl4 Cu3 N15 O5 -","- C112 H84 Cl16 Cu12 N60 O20 -","4","1","","Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki","Planar copper and nickel triangles with a guanidine-derived ligand","Inorganic Chemistry Frontiers","2015","2","8","725","","10.1039/C5QI00085H","","","0.71073","MoKα","","0.1235","0.0907","","","0.2248","0.2438","","","","","","1.022","","","","has coordinates","233493","2020-10-21","18:00:00",""
"4348926","10.0521","0.0008","11.4299","0.0009","22.6136","0.0018","77.666","0.001","83.379","0.002","83.524","0.002","2510.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B4 F16 N15 Ni3 O7 -","- C34 H40 B4 F16 N15 Ni3 O7 -","- C68 H80 B8 F32 N30 Ni6 O14 -","2","1","","Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki","Planar copper and nickel triangles with a guanidine-derived ligand","Inorganic Chemistry Frontiers","2015","2","8","725","","10.1039/C5QI00085H","","","0.71073","MoKα","","0.1123","0.0861","","","0.2075","0.2276","","","","","","1.058","","","","has coordinates","233493","2020-10-21","18:00:00",""
"4348928","19.6524","0.0006","14.4247","0.0003","13.6567","0.0004","90","","106.958","0.004","90","","3703.07","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 O12 S3 Zn2 -","- C36 H30 N4 O12 S3 Zn2 -","- C144 H120 N16 O48 S12 Zn8 -","4","0.5","","Neuman, Nicolás I.; Burna, Emerson; Baggio, Ricardo; Passeggi, Mario C. G.; Rizzi, Alberto C.; Brondino, Carlos D.","Transition from isolated to interacting copper(ii) pairs in extended lattices evaluated by single crystal EPR spectroscopy","Inorganic Chemistry Frontiers","2015","2","9","837","","10.1039/C5QI00086F","","","0.71073","MoKα","","0.0371","0.0276","","","0.0648","0.069","","","","","","1.044","","","","has coordinates","233495","2020-10-21","18:00:00",""
"4348929","12.4879","0.0003","13.3816","0.0004","15.6598","0.0006","100.987","0.002","90.592","0.002","107.459","0.002","2444.19","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H19 Dy F18 N2 O10 S6 -","- C35 H19 Dy F18 N2 O10 S6 -","- C70 H38 Dy2 F36 N4 O20 S12 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.077","0.0481","","","0.1229","0.1478","","","","","","1.057","","","","has coordinates","233496","2020-10-21","18:00:00",""
"4348930","10.4634","0.0008","12.1092","0.001","23.9781","0.0018","77.004","0.002","86.822","0.002","74.808","0.002","2856.8","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C45.41 H30.54 Cl2.82 Dy F9 N2 O10 S9 -","- C45.41 H30.54 Cl2.82 Dy F9 N2 O10 S9 -","- C90.82 H61.08 Cl5.64 Dy2 F18 N4 O20 S18 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.1516","0.0882","","","0.2008","0.2413","","","","","","1.081","","","","has coordinates,has disorder","233496","2020-10-21","18:00:00",""
"4348931","10.4473","0.0003","12.0946","0.0004","23.9969","0.0007","76.501","0.001","86.028","0.001","74.747","0.001","2844.42","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Cl4 F9 N2 O10 S9 Yb -","- C46 H32 Cl4 F9 N2 O10 S9 Yb -","- C92 H64 Cl8 F18 N4 O20 S18 Yb2 -","2","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.0439","0.0387","","","0.1033","0.1187","","","","","","1.191","","","","has coordinates,has disorder","233496","2020-10-21","18:00:00",""
"4348932","13.2244","0.0003","12.1843","0.0004","15.3079","0.0004","90","","107.908","0.002","90","","2347.06","0.12","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O5 S6 -","- C20 H16 N2 O5 S6 -","- C80 H64 N8 O20 S24 -","4","1","","Soussi, K.; Jung, J.; Pointillart, F.; Le Guennic, B.; Lefeuvre, B.; Golhen, S.; Cador, O.; Guyot, Y.; Maury, O.; Ouahab, L.","Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand","Inorganic Chemistry Frontiers","2015","2","12","1105","","10.1039/C5QI00087D","","","0.71073","MoKα","","0.0798","0.0509","","","0.1327","0.1519","","","","","","1.025","","","","has coordinates","233496","2020-10-21","18:00:00",""
"4348938","26.164","0.005","10.106","0.002","19.468","0.004","90","","125.82","0.03","90","","4174","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 Co3 N6 O12 S2 -","- C30 H50 Co3 N6 O12 S2 -","- C120 H200 Co12 N24 O48 S8 -","4","0.5","","Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol","Inorganic Chemistry Frontiers","2015","2","8","763","","10.1039/C5QI00088B","","","0.70001","synchrotron","","0.0851","0.0711","","","0.222","0.2345","","","","","","1.073","","","","has coordinates","233498","2020-10-21","18:00:00",""
"4348939","17.4759","0.0012","9.7067","0.0006","16.4929","0.0011","90","","92.448","0.002","90","","2795.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cu2 N7 O13 -","- C20 H31 Cu2 N7 O13 -","- C80 H124 Cu8 N28 O52 -","4","1","","Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol","Inorganic Chemistry Frontiers","2015","2","8","763","","10.1039/C5QI00088B","","","0.71073","MoKα","","0.1102","0.0545","","","0.1157","0.1705","","","","","","1.12","","","","has coordinates,has disorder","233498","2020-10-21","18:00:00",""
"4348940","8.5081","0.0018","11.345","0.002","24.713","0.005","76.947","0.003","87.749","0.003","85.552","0.003","2316.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","C43H55FN9O11S2","","","- C43 H55 Fe N9 O11 S2 -","- C43 H55 Fe N9 O11 S2 -","- C86 H110 Fe2 N18 O22 S4 -","2","1","","Shao, Dong; Zhao, Xin-Hua; Zhang, Shao-Liang; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Structural and magnetic tuning from a field-induced single-ion magnet to a single-chain magnet by anions","Inorganic Chemistry Frontiers","2015","2","9","846","","10.1039/C5QI00089K","","","0.71073","MoKα","","0.0846","0.0688","","","0.1836","0.1959","","","","","","1.01","","","","has coordinates,has disorder","233499","2020-10-21","18:00:00",""
"4348941","12.7854","0.001","10.5316","0.0009","24.534","0.002","90","","97.816","0.001","90","","3272.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C28H37FeN7O8S","","","- C28 H37 Fe N7 O8 S -","- C28 H37 Fe N7 O8 S -","- C112 H148 Fe4 N28 O32 S4 -","4","1","","Shao, Dong; Zhao, Xin-Hua; Zhang, Shao-Liang; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Structural and magnetic tuning from a field-induced single-ion magnet to a single-chain magnet by anions","Inorganic Chemistry Frontiers","2015","2","9","846","","10.1039/C5QI00089K","","","0.71073","MoKα","","0.0884","0.0586","","","0.1537","0.178","","","","","","1.028","","","","has coordinates","233499","2020-10-21","18:00:00",""
"4348944","16.9996","0.001","16.9996","0.001","13.1497","0.0008","90","","90","","90","","3800.1","0.4","200","2","200","2","","","","","","","","6","P 4 2 2","P 4 2","89","","","","- C96 H112 Cu8 Dy4 N16 O40 -","- C96 H112 Cu8 Dy4 N16 O40 -","- C96 H112 Cu8 Dy4 N16 O40 -","1","0.125","","Joarder, Biplab; Mukherjee, Soumya; Patil, Mahendra; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.","Chiral biomolecule based dodecanuclear dysprosium(iii)‒copper(ii) clusters: structural analyses and magnetic properties","Inorganic Chemistry Frontiers","2015","2","9","854","","10.1039/C5QI00090D","","","0.71073","MoKα","","0.1087","0.1045","","","0.3538","0.3586","","","","","","1.636","","","","has coordinates","233501","2020-10-21","18:00:00",""
"4348946","13.524","0.002","16.287","0.003","20.967","0.003","100.901","0.008","103.304","0.008","99.809","0.008","4301.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H234 Br6 N12 O21 Pd3 -","- C144 H228 Br6 N12 O21 Pd3 -","- C144 H228 Br6 N12 O21 Pd3 -","1","0.5","","Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent","Inorganic Chemistry Frontiers","2015","2","11","1029","","10.1039/C5QI00093A","","","0.71073","MoKα","","0.1243","0.0599","","","0.175","0.2121","","","","","","1.016","","","","has coordinates,has disorder","233503","2020-10-21","18:00:00",""
"4348947","9.7928","0.0005","16.3297","0.0008","16.0978","0.0008","90","","95.392","0.002","90","","2562.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 N4 O8 Pd -","- C50 H86 N4 O8 Pd -","- C100 H172 N8 O16 Pd2 -","2","0.5","","Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent","Inorganic Chemistry Frontiers","2015","2","11","1029","","10.1039/C5QI00093A","","","0.71073","MoKα","","0.0453","0.0329","","","0.083","0.0956","","","","","","1.21","","","","has coordinates","233503","2020-10-21","18:00:00",""
"4348949","13.433","0.002","17.068","0.003","16.695","0.002","90","","105.208","0.007","90","","3693.7","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tb-6bpyNO","","- C29 H19 F18 N3 O7 Tb -","- C29 H19 F18 N3 O7 Tb -","- C116 H76 F72 N12 O28 Tb4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.0424","","","","0.053","","","","","","1.098","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348950","13.392","0.002","17.074","0.003","16.648","0.002","90","","105.114","0.007","90","","3675","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Y-6bpyNO","","- C29 H19 F18 N3 O7 Y -","- C29 H19 F18 N3 O7 Y -","- C116 H76 F72 N12 O28 Y4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.0633","","","","0.0855","","","","","","1.037","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348951","13.456","0.003","17.13","0.003","16.654","0.003","90","","105.46","0.008","90","","3699.9","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tb-6bpyCO","","- C30 H19 F18 N2 O7 Tb -","- C30 H19 F18.002 N2 O7 Tb -","- C120 H76 F72.008 N8 O28 Tb4 -","4","1","","Kanetomo, Takuya; Yoshii, Shunsuke; Nojiri, Hiroyuki; Ishida, Takayuki","Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide","Inorganic Chemistry Frontiers","2015","2","9","860","","10.1039/C5QI00098J","","","0.71073","MoKα","","","0.034","","","","0.0434","","","","","","1.077","","","","has coordinates","233505","2020-10-21","18:00:00",""
"4348953","23.069","0.004","14.583","0.002","26.542","0.006","90","","97.276","0.002","90","","8857","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C78 H79 F13 N6 O14 Pt2 S4 -","- C78 H79 F13 N6 O14 Pt2 S4 -","- C312 H316 F52 N24 O56 Pt8 S16 -","4","0.5","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.0386","0.0289","","","0.0754","0.0816","","","","","","1.054","","","","has coordinates,has disorder","233507","2020-10-21","18:00:00",""
"4348954","12.8","0.007","19.274","0.01","15.618","0.008","90","","97.622","0.009","90","","3819","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 F3 N3 O4 Pt S -","- C41 H42 F3 N3 O4 Pt S -","- C164 H168 F12 N12 O16 Pt4 S4 -","4","1","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.1039","0.054","","","0.1128","0.1368","","","","","","1","","","","has coordinates","233507","2020-10-21","18:00:00",""
"4348955","8.062","0.004","13.212","0.006","15.156","0.007","106.698","0.005","104.862","0.005","91.891","0.005","1484.6","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 Pt -","- C34 H33 N3 Pt -","- C68 H66 N6 Pt2 -","2","1","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.047","0.0393","","","0.09","0.0946","","","","","","1.018","","","","has coordinates","233507","2020-10-21","18:00:00",""
"4348958","11.0039","0.0006","45.083","0.003","11.3568","0.0007","90","","105.098","0.004","90","","5439.5","0.6","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 F12 N6 Ni O4 -","- C52 H62 F12 N6 Ni O4 -","- C208 H248 F48 N24 Ni4 O16 -","4","1","","Mori, Koya; Eguchi, Rumi; Karasawa, Satoru; Koga, Noboru","Diazopyridine‒Ni(ii) complexes exhibiting intra-chain ferromagnetic interaction after irradiation: formation of magnetic gel","Inorganic Chemistry Frontiers","2015","2","10","917","","10.1039/C5QI00109A","","","1.54187","CuKα","","","0.0762","","","","0.1895","","","","","","1.022","","","","has coordinates","233510","2020-10-21","18:00:00",""
"4348961","12.34","0.002","12.34","0.002","22.852","0.004","90","","90","","90","","3479.8","1","110","","110","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","FeTCNQ(4,4'-bpy)_aniline","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl aniline","","- C34 H26 Fe N8 -","- C34 H26 Fe N8 -","- C136 H104 Fe4 N32 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","","0.71073","MoKα","","0.0883","0.0772","","","0.2003","0.2258","","","","","","1.192","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348962","12.358","0.0006","12.358","0.0006","22.9288","0.0015","90","","90","","90","","3501.7","0.3","100","","100","","","","","","","","","4","I 4/m c m","-I 4 2c","140","FeTCNQ(4,4'-bpy)_benzene","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl benzene","","- C42 H32 Fe N6 -","- C42 H32 Fe N6 -","- C168 H128 Fe4 N24 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","x-ray","0.41328","","","0.0757","0.0638","","","0.1813","0.2258","","","","","","0.969","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348963","12.3673","0.0003","12.3673","0.0003","22.9031","0.0006","90","","90","","90","","3503.03","0.15","100","","100","","","","","","","","","4","I 4/m c m","-I 4 2c","140","Fe(TCNQ)(4,4'-bpy)_toluene","Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl toluene","","- C36 H28 Fe N6 -","- C36 H28 Fe N6 -","- C144 H112 Fe4 N24 -","4","0.125","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","x-ray","0.41328","","","0.0609","0.0592","","","0.1632","0.1676","","","","","","1.122","","","","has coordinates,has disorder","233513","2020-10-21","18:00:00",""
"4348964","7.3351","0.0015","8.8483","0.0018","11.466","0.002","82.2","0.03","89.3","0.03","68.41","0.03","685","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Fe(TCNQ)(DMF)2","Iron tetracyanoquinodimethane N,N-dimethylformamide","","- C24 H32 Fe N8 O4 -","- C24 H32 Fe N8 O4 -","- C24 H32 Fe N8 O4 -","1","0.5","","Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.","Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions","Inorganic Chemistry Frontiers","2015","2","10","904","","10.1039/C5QI00128E","","","0.71073","MoKα","","0.1059","0.0887","","","0.2517","0.268","","","","","","1.0525","","","","has coordinates","233513","2020-10-21","18:00:00",""
"4348966","13.9687","0.0006","13.0219","0.0006","24.2144","0.0011","90","","90.893","0.001","90","","4404","0.3","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.75 H33.5 N2 Ni3 O24 Yb -","- C28.75 H33.5 N2 Ni3 O24 Yb -","- C115 H134 N8 Ni12 O96 Yb4 -","4","1","","Feltham, Humphrey L. C.; Dhers, Sébastien; Rouzières, Mathieu; Clérac, Rodolphe; Powell, Annie K.; Brooker, Sally","A family of fourteen soluble stable macrocyclic [NiII3LnIII] heterometallic 3d‒4f complexes","Inorganic Chemistry Frontiers","2015","2","11","982","","10.1039/C5QI00130G","","","0.71073","MoKα","","0.0633","0.056","","","0.1492","0.1524","","","","","","1.169","","","","has coordinates,has disorder","233515","2020-10-21","18:00:00",""
"4348967","14.005","0.0011","13.0327","0.0011","24.2807","0.0019","90","","90.976","0.004","90","","4431.1","0.6","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Dy N2 Ni3 O24 -","- C30 H36 Dy N2 Ni3 O24 -","- C120 H144 Dy4 N8 Ni12 O96 -","4","1","","Feltham, Humphrey L. C.; Dhers, Sébastien; Rouzières, Mathieu; Clérac, Rodolphe; Powell, Annie K.; Brooker, Sally","A family of fourteen soluble stable macrocyclic [NiII3LnIII] heterometallic 3d‒4f complexes","Inorganic Chemistry Frontiers","2015","2","11","982","","10.1039/C5QI00130G","","","0.71073","MoKα","","0.0478","0.0448","","","0.1008","0.102","","","","","","1.161","","","","has coordinates","233515","2020-10-21","18:00:00",""
"4348969","15.4368","0.0013","18.1268","0.0007","13.4833","0.0008","90","","119.572","0.008","90","","3281.4","0.4","80","2","80","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H30 Cl3 Eu N8 O6 -","- C28 H30 Cl3 Eu N8 O6 -","- C112 H120 Cl12 Eu4 N32 O24 -","4","1","","Shu, Yu-Bo; Liu, Wei-Sheng","A bis(1H-pyridin-2-one)salen Eu(iii) complex for vapoluminescence sensing","Inorganic Chemistry Frontiers","2015","2","10","927","","10.1039/C5QI00134J","","","1.54178","CuKα","","0.0672","0.0601","","","0.1379","0.1437","","","","","","1.022","","","","has coordinates","233517","2020-10-21","18:00:00",""
"4348972","21.2466","0.0016","7.944","0.0006","15.8517","0.0012","90","","124.669","0.001","90","","2200.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H23 Ag Cl N7 O6 -","- C17 H23 Ag Cl N7 O6 -","- C68 H92 Ag4 Cl4 N28 O24 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.0185","0.0179","","","0.0442","0.0445","","","","","","1.049","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348973","28.682","0.017","7.981","0.005","29.94","0.018","90","","103.6","0.007","90","","6661","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ag Cl N9 O7 -","- C30 H16 Ag Cl N9 O7 -","- C240 H128 Ag8 Cl8 N72 O56 -","8","1","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.181","0.1321","","","0.3117","0.3464","","","","","","1.07","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348974","23.95","0.004","7.2064","0.0011","18.712","0.003","90","","123.58","0.003","90","","2690.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H16 Cl Cu N6 O4 -","- C18 H16 Cl Cu N6 O4 -","- C72 H64 Cl4 Cu4 N24 O16 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.0918","0.0792","","","0.2363","0.2507","","","","","","1.121","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348975","30.13","0.06","7.841","0.011","15.831","0.019","90","","121.48","","90","","3190","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C23 H25 Ag Cl N7 O5 -","- C23 H25 Ag Cl N7 O5 -","- C92 H100 Ag4 Cl4 N28 O20 -","4","0.5","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.1955","0.1449","","","0.3884","0.4073","","","","","","1.342","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348976","24.851","0.016","7.517","0.005","16.975","0.011","90","","130.638","0.006","90","","2406","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cl Cu N6 O4 -","- C16 H14 Cl Cu N6 O4 -","- C64 H56 Cl4 Cu4 N24 O16 -","4","1","","Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.","Isoreticular synthesis of 2D MOFs with rotating aryl rings","Inorganic Chemistry Frontiers","2015","2","11","1001","","10.1039/C5QI00135H","","","0.71073","MoKα","","0.1335","0.1092","","","0.2995","0.3255","","","","","","1.225","","","","has coordinates","233520","2020-10-21","18:00:00",""
"4348979","30.4012","0.0017","30.4012","0.0017","23.676","0.003","90","","90","","90","","21882","3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 Gd N5 O16 -","- C110 H48 Cu4 Gd N5 O16 -","- C880 H384 Cu32 Gd8 N40 O128 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0784","0.0644","","","0.1536","0.1623","","","","","","1.077","","","","has coordinates,has disorder","233523","2020-10-21","18:00:00",""
"4348980","30.3009","0.0019","30.3009","0.0019","23.5735","0.0015","90","","90","","90","","21644","2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C110 H128 Cu4 N5 O16 Tb -","- C110 H48 Cu4 N5 O16 Tb -","- C880 H384 Cu32 N40 O128 Tb8 -","8","1","","Richardson, Paul; Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Lorusso, Giulia; Evangelisti, Marco; Tang, Jinkui; Stamatatos, Theocharis C.","‘All three-in-one’: ferromagnetic interactions, single-molecule magnetism and magnetocaloric properties in a new family of [Cu4Ln] (LnIII = Gd, Tb, Dy) clusters","Inorganic Chemistry Frontiers","2015","2","10","945","","10.1039/C5QI00146C","","","0.71073","MoKα","","0.0788","0.0612","","","0.151","0.1641","","","","","","1.06","","","","has coordinates","233523","2020-10-21","18:00:00",""
"4348992","17.797","0.0004","18.4077","0.0006","18.4319","0.0005","61.52","0.003","66.702","0.003","78.02","0.002","4873.5","0.3","153","10","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C172 H188 Mn11 N15 O64 S18 Tb4 -","- C146 H144 Mn11 N2 O64 S18 Tb4 -","- C146 H144 Mn11 N2 O64 S18 Tb4 -","1","0.5","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","A thioether-decorated {Mn11Tb4} coordination cluster with slow magnetic relaxation","Inorganic Chemistry Frontiers","2015","2","12","1095","","10.1039/C5QI00172B","","","0.71073","MoKα","","0.1662","0.0839","","","0.2161","0.2961","","","","","","0.909","","","","has coordinates","233532","2020-10-21","18:00:00",""
"4350705","9.3661","0.0003","18.7809","0.0006","19.386","0.0006","116.409","0.003","94.878","0.003","92.986","0.003","3027.65","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 B F24 N5 O Rh -","- C58 H47 B F24 N5 O Rh -","- C116 H94 B2 F48 N10 O2 Rh2 -","2","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","","0.71073","MoKα","","0.0681","0.0495","","","0.1038","0.1117","","","","","","1.051","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350706","13.045","0.001","14.588","0.0014","17.4059","0.0011","104.723","0.007","105.186","0.007","102.973","0.008","2937.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 B F24 N5 O Rh -","- C58 H47 B F24 N5 O Rh -","- C116 H94 B2 F48 N10 O2 Rh2 -","2","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","x-ray","1.54178","CuKα","","0.1306","0.0803","","","0.1762","0.2151","","","","","","1.018","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350707","13.3809","0.0005","28.7207","0.0011","16.9649","0.0007","90","","105.369","0.004","90","","6286.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 B F24 N5 O Rh -","- C56 H43 B F24 N5 O Rh -","- C224 H172 B4 F96 N20 O4 Rh4 -","4","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","x-ray","0.71073","MoKα","","0.0751","0.0546","","","0.1448","0.1572","","","","","","1.04","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350708","14.26866","0.00015","17.1057","0.0002","24.6768","0.0003","90","","94.4576","0.001","90","","6004.78","0.12","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 B F24 I N5 O Rh -","- C57 H46 B F24 I N5 O Rh -","- C228 H184 B4 F96 I4 N20 O4 Rh4 -","4","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","","0.71073","MoKα","","0.0519","0.0446","","","0.1101","0.1141","","","","","","1.053","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350709","12.733","0.0004","15.5875","0.0004","17.0556","0.0005","100.337","0.002","97.165","0.002","113.343","0.003","2984.88","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56.5 H44 B Cl3 F24 N5 O Rh -","- C56.5 H44 B Cl3 F24 N5 O Rh -","- C113 H88 B2 Cl6 F48 N10 O2 Rh2 -","2","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","","0.71073","MoKα","","0.0571","0.0474","","","0.1126","0.1184","","","","","","1.037","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350710","19.2242","0.0002","19.2242","0.0002","37.5121","0.0008","90","","90","","120","","12006","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H36 N5 O Rh -","- C28 H36 N5 O Rh -","- C504 H648 N90 O18 Rh18 -","18","1","","Andrew, Rhiann E.; Chaplin, Adrian B.","Synthesis and reactivity of NHC-based rhodium macrocycles.","Inorganic chemistry","2015","54","1","312","322","10.1021/ic5024828","","x-ray","0.71073","MoKα","","0.0421","0.0374","","","0.0935","0.0958","","","","","","1.078","","","","has coordinates,has disorder","239992","2020-10-21","18:00:00",""
"4350711","11.608","0.004","12.092","0.004","13.533","0.005","76.222","0.016","73.431","0.016","67.712","0.016","1666.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 Cl2 Fe N7 O9 -","- C30 H31 Cl2 Fe N7 O9 -","- C60 H62 Cl4 Fe2 N14 O18 -","2","1","","Mitra, Mainak; Nimir, Hassan; Demeshko, Serhiy; Bhat, Satish S.; Malinkin, Sergey O.; Haukka, Matti; Lloret-Fillol, Julio; Lisensky, George C.; Meyer, Franc; Shteinman, Albert A.; Browne, Wesley R.; Hrovat, David A.; Richmond, Michael G.; Costas, Miquel; Nordlander, Ebbe","Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions.","Inorganic chemistry","2015","54","15","7152","7164","10.1021/ic5029564","","","0.71073","MoKα","","0.0738","0.0549","","","0.1585","0.17","","","","","","1.074","","","","has coordinates","239993","2020-10-21","18:00:00",""
"4350712","11.098","0.005","11.619","0.005","16.156","0.01","101.744","0.007","91.826","0.006","118.257","0.004","1776.6","1.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Dy Fe I N2 O2 Si2 -","- C30 H54 Dy Fe I N2 O2 Si2 -","- C60 H108 Dy2 Fe2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0699","0.053","","","0.1181","0.1296","","","","","","1.078","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350713","14.32","0.003","21.816","0.005","26.408","0.006","90","","95.561","0.003","90","","8211","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 Dy2 Fe2 K2 N4 Si4 -","- C84 H118 Dy2 Fe2 K2 N4 Si4 -","- C336 H472 Dy8 Fe8 K8 N16 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0446","0.0357","","","0.0793","0.0843","","","","","","1.033","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350714","14.349","0.004","21.88","0.006","26.449","0.008","90","","95.136","0.003","90","","8270","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 Fe2 Gd2 K2 N4 Si4 -","- C84 H118 Fe2 Gd2 K2 N4 Si4 -","- C336 H472 Fe8 Gd8 K8 N16 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0305","0.0252","","","0.0603","0.0633","","","","","","1.037","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350715","17.237","0.006","22.611","0.008","34.538","0.013","90","","90","","90","","13461","8","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C92 H158 Dy2 Fe2 K2 N4 O15 Si4 -","- C92 H158 Dy2 Fe2 K2 N4 O15 Si4 -","- C368 H632 Dy8 Fe8 K8 N16 O60 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0493","0.0376","","","0.0899","0.0937","","","","","","0.997","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350716","17.518","0.004","22.148","0.005","34.963","0.008","90","","90","","90","","13565","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C92 H157 Fe2 Gd2 K2 N4 O15 Si4 -","- C92 H157 Fe2 Gd2 K2 N4 O15 Si4 -","- C368 H628 Fe8 Gd8 K8 N16 O60 Si16 -","4","1","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0722","0.0559","","","0.1364","0.1455","","","","","","1.056","","","","has coordinates","239994","2020-10-21","18:00:00",""
"4350717","17.257","0.0019","22.701","0.003","34.573","0.004","90","","90","","90","","13544","3","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C120 H214 Er2 Fe2 K2 N4 O22 Si4 -","- C120 H214 Er2 Fe2 K2 N4 O22 Si4 -","- C480 H856 Er8 Fe8 K8 N16 O88 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0373","0.0316","","","0.0723","0.0747","","","","","","1.038","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350718","15.0037","0.0019","22.794","0.003","23.376","0.003","90","","97.019","0.0015","90","","7934.5","1.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C132 H220 Er4 Fe4 K4 N8 O5 Si8 -","- C132 H220 Er4 Fe4 K4 N8 O5 Si8 -","- C264 H440 Er8 Fe8 K8 N16 O10 Si16 -","2","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.1001","0.0817","","","0.1753","0.1834","","","","","","1.197","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350719","14.1819","0.0015","14.1819","0.0015","10.816","0.0011","90","","90","","90","","2175.4","0.4","296","2","296","2","","","","","","","","7","P 43","P 4cw","78","cwmwm03","","","- C19 H18 Cl2 Fe N3 O2 S -","- C19 H18 Cl2 Fe N3 O2 S -","- C76 H72 Cl8 Fe4 N12 O8 S4 -","4","1","","Cavell, Andrew C.; Hartley, Carolyn L.; Liu, Dan; Tribble, Connor S.; McNamara, William R.","Sulfinato iron(III) complex for electrocatalytic proton reduction.","Inorganic chemistry","2015","54","7","3325","3330","10.1021/ic5030394","","","0.71073","MoKα","","0.0574","0.0451","","","0.1008","0.1061","","","","","","1.106","","","","has coordinates","239995","2020-10-21","18:00:00",""
"4350801","14.681","0.005","12.152","0.005","18.122","0.005","90","0.005","113.895","0.005","90","0.005","2955.9","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cu F6 N3 O6 S4 -","- C27 H19 Cu F6 N3 O6 S4 -","- C108 H76 Cu4 F24 N12 O24 S16 -","4","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0688","0.0445","","","0.0967","0.1012","","","","","","1.004","","","","has coordinates","272313","2022-01-28","08:02:27",""
"4350802","12.745","0.004","14.512","0.004","15.804","0.005","90","","92.456","0.005","90","","2920.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd Cl2 N3 O10 S2 -","- C25 H19 Cd Cl2 N3 O10 S2 -","- C100 H76 Cd4 Cl8 N12 O40 S8 -","4","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0557","0.0411","","","0.1331","0.1496","","","","","","1.127","","","","has coordinates","272313","2022-01-28","08:02:27",""
"4350803","12.533","0.0006","15.3134","0.0008","15.5429","0.0008","90","","97.372","0.001","90","","2958.4","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl F3 N4 O6 S2 Zn -","- C29 H22 Cl F3 N4 O6 S2 Zn -","- C116 H88 Cl4 F12 N16 O24 S8 Zn4 -","4","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0418","0.0376","","","0.0971","0.1","","","","","","1.033","","","","has coordinates,has disorder","272313","2022-01-28","08:02:28",""
"4350804","9.0268","0.0006","9.2809","0.0006","10.3543","0.0006","106.013","0.001","104.896","0.001","111.633","0.001","709.84","0.08","294","2","294","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H23 Cl4 Co2 N3 O S2 -","- C26 H23 Cl4 Co2 N3 O S2 -","- C26 H23 Cl4 Co2 N3 O S2 -","1","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0368","0.0347","","","0.0917","0.0931","","","","","","1.004","","","","has coordinates,has disorder","272313","2022-01-28","08:02:28",""
"4350805","8.8561","0.0005","12.0837","0.0005","12.2241","0.0007","67.989","0.005","84.896","0.005","83.326","0.004","1203.12","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cl3 N2 S2 -","- C26 H20 Cl3 N3 S2 -","- C52 H40 Cl6 N6 S4 -","2","1","","Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei","Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes","Inorganic Chemistry Communications","2015","54","","21","24","10.1016/j.inoche.2015.01.029","","","0.71073","MoKα","","0.0592","0.0377","","","0.0899","0.0973","","","","","","0.788","","","","has coordinates","272313","2022-01-28","08:02:28",""
"4512408","20.904","0.005","21.12","0.005","10.519","0.002","90","","111.243","0.003","90","","4328.5","1.7","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","C60 . 2 S8 (alpha, 293 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","0.5","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0885","0.0754","","","0.2083","0.2218","","","","","","1.051","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512409","10.365","0.002","14.694","0.003","29","0.007","84.122","0.003","84.602","0.003","75.664","0.003","4245.9","1.6","90","2","90","2","","","","","","","","2","P -1","-P 1","2","C60 . 2 S8 (beta, 90 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","2","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0414","0.0362","","","0.0908","0.0938","","","","","","1.021","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512410","16.1733","0.0009","15.8931","0.0009","18.5781","0.001","90","","113.302","0.002","90","","4385.9","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 . 2 S8 (gamma, 293 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.086","0.0702","","","0.1969","0.2123","","","","","","1.043","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512411","16.1355","0.0006","15.7332","0.0006","18.3535","0.0007","90","","113.283","0.002","90","","4279.8","0.3","90","2","90","2","","","","","","","","2","P 1 c 1","P -2yc","7","C60 . 2 S8 (delta, 90 K)","","","- C60 S16 -","- C60 S16 -","- C240 S64 -","4","2","","Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.","New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs","Crystal Growth & Design","2015","15","1","404","","10.1021/cg501486x","","","0.71073","MoKα","","0.0274","0.0269","","","0.0728","0.0732","","","","","","1.046","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512412","4.7315","0.0012","45.263","0.012","7.929","0.002","90","","106.911","0.003","90","","1624.7","0.7","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl2 N4 O4 -","- C38 H32 Cl2 N4 O4 -","- C76 H64 Cl4 N8 O8 -","2","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0567","0.0493","","","0.1054","0.1086","","","","","","1.142","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512413","9.8384","0.0011","10.3962","0.0011","25.015","0.003","84.632","0.002","81.353","0.002","71.679","0.002","2398.4","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.1139","0.0583","","","0.1408","0.1669","","","","","","1.019","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512414","7.3302","0.0004","8.6992","0.0005","13.6719","0.0008","106.276","0.001","99.368","0.001","98.738","0.001","807.55","0.08","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N4 O4 -","- C40 H38 N4 O4 -","- C40 H38 N4 O4 -","1","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0476","0.0406","","","0.1088","0.1137","","","","","","1.05","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512415","7.7606","0.0005","9.7575","0.0006","20.0638","0.0012","98.293","0.001","92.423","0.001","104.594","0.001","1450.01","0.16","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 N4 O4 -","- C36 H30 N4 O4 -","- C72 H60 N8 O8 -","2","1","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0758","0.0438","","","0.096","0.1084","","","","","","1.017","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512416","26","0.004","6.7394","0.001","19.854","0.003","90","","111.386","0.002","90","","3239.4","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 F6 N6 O4 -","- C36 H26 F6 N6 O4 -","- C144 H104 F24 N24 O16 -","4","0.5","","Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects","Crystal Growth & Design","2015","15","1","228","","10.1021/cg5012633","","","0.71073","MoKα","","0.0567","0.0423","","","0.1026","0.1115","","","","","","1.031","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512417","7.59","0.003","11.339","0.005","15.138","0.006","76.868","0.014","89.863","0.013","75.754","0.013","1227.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H52 N10 O10 -","- C56 H52 N10 O10 -","- C56 H52 N10 O10 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1793","0.067","","","0.1546","0.1899","","","","","","0.897","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512418","8.435","0.002","10.432","0.003","13.287","0.004","81.612","0.007","75.381","0.007","87.175","0.007","1119.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 N10 O10 -","- C52 H44 N10 O10 -","- C52 H44 N10 O10 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.06","0.0426","","","0.1356","0.152","","","","","","1.12","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512419","10.741","0.003","11.454","0.003","14.658","0.004","96.553","0.008","97.07","0.008","111.233","0.008","1643.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H60 N10 O18 -","- C78 H60 N10 O18 -","- C78 H60 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1215","0.0662","","","0.1684","0.1937","","","","","","1.049","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512420","10.635","0.004","11.379","0.004","14.71","0.005","97.52","0.011","97.062","0.012","109.545","0.011","1636.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O18 -","- C62 H50 N10 O18 -","- C62 H50 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1557","0.0697","","","0.1689","0.1953","","","","","","0.831","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512421","10.651","0.004","11.362","0.004","14.732","0.005","96.914","0.01","96.252","0.01","110.223","0.01","1638.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H60 N10 O18 -","- C62 H50 N10 O18 -","- C62 H50 N10 O18 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.1908","0.0765","","","0.2057","0.2571","","","","","","0.85","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512422","10.625","0.003","11.428","0.003","14.773","0.004","97.149","0.008","96.088","0.007","110.626","0.007","1643.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H59 N10 O19 -","- C77 H59 N10 O19 -","- C77 H59 N10 O19 -","1","0.5","","Dey, Avishek; Bera, Saibal; Biradha, Kumar","Cocrystals and Salts of Pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) with Pyromellitic Acid: Aromatic Guest Inclusion and Separation via Benzimidazole‒Carboxylic Acid Heterosynthon","Crystal Growth & Design","2015","15","1","318","","10.1021/cg501380m","","","0.71073","MoKα","","0.078","0.0596","","","0.1889","0.2005","","","","","","1.431","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512423","15.516","0.0016","7.516","0.0008","12.331","0.0012","90","","92.523","0.001","90","","1436.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing","Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.","ACS combinatorial science","2015","17","1","24","31","10.1021/co500120b","","","0.71073","MoKα","","0.1259","0.0488","","","0.09","0.1047","","","","","","1.008","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512424","12.9044","0.0009","12.0994","0.0005","17.6179","0.001","90","","110.508","0.007","90","","2576.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N O4 -","- C29 H33 N O4 -","- C116 H132 N4 O16 -","4","1","","Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing","Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.","ACS combinatorial science","2015","17","1","24","31","10.1021/co500120b","","","0.71073","MoKα","","0.0636","0.0456","","","0.1073","0.1167","","","","","","1.022","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512425","29.862","0.005","29.862","0.005","29.862","0.005","90","","90","","90","","26629","8","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ni51.17 Sn103.63 Tb117 -","- Ni51.136 Sn103.574 Tb117 -","- Ni204.544 Sn414.296 Tb468 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0365","0.0353","","","0.1264","0.127","","","","","","3.492","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512426","29.823","0.004","29.823","0.004","29.823","0.004","90","","90","","90","","26525","6","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Dy117 Ni52.62 Sn112 -","- Dy117 Ni52.614 Sn112 -","- Dy467.998 Ni210.456 Sn448 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0364","0.0334","","","0.1051","0.1135","","","","","","2.641","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512427","30.07","0.004","30.07","0.004","30.07","0.004","90","","90","","90","","27189","6","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Gd117 Ni52.96 Sn107.44 -","- Gd117 Ni52.81 Sn107.428 -","- Gd468 Ni211.24 Sn429.712 -","4","0.0208333","","Reyes, Luis E.; McDougald, Roy N.; McCandless, Gregory T.; Khan, Mojammel; Young, David P.; Chan, Julia Y.","Eutectoid Flux Growth and Physical Properties of Single Crystal Ln117Ni54‒ySn112‒z(Ln = Gd‒Dy)","Crystal Growth & Design","2015","15","1","295","","10.1021/cg501364h","","","0.71073","MoKα","","0.0418","0.0376","","","0.129","0.1309","","","","","","2.539","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512428","14.596","0.003","18.269","0.004","19.118","0.004","85.26","0.03","74.4","0.03","68.06","0.03","4554","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H100 B3 La N10 O22 -","- C90 H100 B3 La N10 O22 -","- C180 H200 B6 La2 N20 O44 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.7","synchrotron","","0.0414","0.0398","","","0.116","0.1177","","","","","","1.035","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512429","14.7773","0.0009","15.2028","0.0009","23.987","0.0014","75.438","0.001","77.575","0.001","66.186","0.001","4732.2","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94.24 H109.89 B3 N11.41 O23.41 Yb -","- C94.239 H109.891 B3 N11.413 O23.413 Yb -","- C188.478 H219.782 B6 N22.826 O46.826 Yb2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0486","0.0401","","","0.1032","0.1092","","","","","","1.043","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512430","14.7857","0.001","15.1728","0.0011","23.9999","0.0017","75.508","0.001","77.676","0.001","66.182","0.001","4730.3","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C92.24 H105.21 B3 N10.74 O22.75 Y -","- C92.253 H105.257 B3 N10.751 O22.751 Y -","- C184.506 H210.514 B6 N21.502 O45.502 Y2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0878","0.0671","","","0.1981","0.2146","","","","","","1.04","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512431","14.8384","0.0016","15.1755","0.0016","24.032","0.003","75.638","0.001","77.766","0.001","66.201","0.001","4758.3","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94.26 H109.95 B3 N11.42 O23.42 Tb -","- C94.269 H109.961 B3 N11.423 O23.423 Tb -","- C188.538 H219.922 B6 N22.846 O46.846 Tb2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0458","0.0396","","","0.1051","0.1099","","","","","","1.038","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512432","11.896","0.005","28.247","0.011","24.6","0.01","90","","99.322","0.005","90","","8157","6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85.27 H88.53 B3 Eu N8.63 O20.63 -","- C85.266 H88.532 B3 Eu N8.633 O20.633 -","- C341.064 H354.128 B12 Eu4 N34.532 O82.532 -","4","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.0499","0.0362","","","0.0934","0.1009","","","","","","1.058","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512433","14.8047","0.0008","15.1935","0.0009","24.0208","0.0014","75.477","0.001","77.533","0.001","66.128","0.001","4742.9","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.41 H110.29 B3 Er N11.47 O23.47 -","- C94.413 H110.297 B3 Er N11.471 O23.471 -","- C188.826 H220.594 B6 Er2 N22.942 O46.942 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.045","0.0369","","","0.09","0.0951","","","","","","1.04","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512434","15.042","0.0017","15.2159","0.0017","23.798","0.003","77.562","0.001","76.708","0.001","65.607","0.001","4783","1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H96 B3 N10 O22 Y -","- C94 H96 B3 N10 O22 Y -","- C188 H192 B6 N20 O44 Y2 -","2","1","","Danjo, Hiroshi; Nakagawa, Toshi; Katagiri, Kosuke; Kawahata, Masatoshi; Yoshigai, Seiki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Formation of Lanthanide(III)-Containing Metallosupramolecular Arrays Induced by Tris(spiroborate) Twin Bowl","Crystal Growth & Design","2015","15","1","384","","10.1021/cg5014686","","","0.71073","MoKα","","0.1051","0.062","","","0.1723","0.1885","","","","","","1.022","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512435","11.563","0.005","10.35","0.005","12.463","0.005","90","","110.254","0.005","90","","1399.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 O3 Sn -","- C11 H16 N4 O3 Sn -","- C44 H64 N16 O12 Sn4 -","4","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71069","MoKα","","0.0274","0.0208","","","0.0467","0.0488","","","","","","1.068","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512436","10.4055","0.0013","12.6484","0.0016","17.386","0.002","77.482","0.002","89.515","0.003","89.422","0.003","2233.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 N8 O6 Sn2 -","- C40 H68 N8 O6 Sn2 -","- C80 H136 N16 O12 Sn4 -","2","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0888","0.078","","","0.1782","0.1858","","","","","","1.043","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512437","9.6511","0.0004","14.2607","0.0006","22.0464","0.001","96.442","0.001","100.312","0.001","103.215","0.001","2868.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 N10 O11 Sn2 -","- C55 H64 N10 O11 Sn2 -","- C110 H128 N20 O22 Sn4 -","2","1","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0855","0.0526","","","0.1353","0.1557","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512438","12.9349","0.0005","21.0223","0.0009","13.1337","0.0006","90","","90","","90","","3571.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl4 N10 O6 Sn -","- C28 H32 Cl4 N10 O6 Sn -","- C112 H128 Cl16 N40 O24 Sn4 -","4","0.5","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71073","MoKα","","0.0702","0.0628","","","0.1599","0.164","","","","","","1.274","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512439","7.073","0.005","11.034","0.005","12.475","0.005","114.821","0.005","92.83","0.005","99.652","0.005","863.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl4 N10 O4 Sn -","- C30 H34 Cl4 N10 O4 Sn -","- C30 H34 Cl4 N10 O4 Sn -","1","0.5","","Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli","Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures","Crystal Growth & Design","2015","15","1","247","","10.1021/cg501322w","","","0.71069","MoKα","","0.057","0.0535","","","0.1309","0.1341","","","","","","1.1","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512440","13.601","0.002","9.2479","0.0015","20.718","0.003","90","","92.771","0.002","90","","2602.9","0.7","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C136 H80 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0579","0.0501","","","0.1272","0.1354","","","","","","1.079","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512441","13.5656","0.001","9.2311","0.0005","20.7014","0.0016","90","","92.754","0.004","90","","2589.3","0.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C136 H80 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0548","0.0492","","","0.112","0.1158","","","","","","1.105","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512442","9.599","0.007","13.287","0.01","25.015","0.019","90","","90","","90","","3190","4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 S4 -","- C38 H28 S4 -","- C152 H112 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0917","0.0777","","","0.1649","0.1748","","","","","","1.141","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512443","10.553","0.003","11.34","0.003","16.568","0.006","83.481","0.013","89.45","0.015","64.275","0.001","1772.9","0.9","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H20 O4 -","- C34 H20 O4 -","- C102 H60 O12 -","3","1.5","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0614","0.0459","","","0.1018","0.11","","","","","","1.066","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512444","14.386","0.004","8.452","0.002","21.794","0.005","90","","116.994","0.014","90","","2361.2","1.1","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 O4 -","- C34 H20 O4 -","- C136 H80 O16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0563","0.046","","","0.1242","0.136","","","","","","1.063","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512445","8.5037","0.0018","13.244","0.002","14.277","0.003","62.458","0.008","80.781","0.011","74.581","0.01","1373.1","0.5","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H28 O4 -","- C38 H28 O4 -","- C76 H56 O8 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0582","0.045","","","0.102","0.111","","","","","","1.028","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512446","8.338","0.002","24.218","0.004","34.991","0.004","90","","91.43","0.03","90","","7064","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate 4.28-hydrate","","- C33 H54.26 N5 O16.28 -","- C33 H40.5 N5 O16.2838 -","- C264 H324 N40 O130.27 -","8","4","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2242","0.0964","","","0.1836","0.2227","","","","","","0.928","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512447","12.488","0.003","9.092","0.002","31.175","0.004","90","","97.39","0.03","90","","3510.2","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 0.5-solvate 2.125-hydrate","","- C33.5 H41.25 N5 O14.62 -","- C33.5 H41 N5.0005 O14.626 -","- C134 H164 N20.002 O58.504 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2166","0.0544","","","0.0798","0.1084","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512448","20.962","0.003","7.304","0.002","21.824","0.003","90","","114.79","0.03","90","","3033.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate brucine 11.5-hydrate","","- C56 H88.5 N7 O27.5 -","- C56 H84.002 N7 O27.501 -","- C112 H168.004 N14 O55.002 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Dielectrically Controlled Priority of Interactions in Molecular Recognition","Crystal Growth & Design","2015","15","1","358","","10.1021/cg501456n","","","0.71073","MoKα","","0.2028","0.0548","","","0.0642","0.0857","","","","","","0.766","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512449","9.0851","0.0005","12.8719","0.0004","12.9349","0.0006","100.258","0.003","90.572","0.004","93.606","0.004","1485.17","0.12","216","2","216","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 N2 O8 -","- C24 H46 N2 O8 -","- C48 H92 N4 O16 -","2","1","","Tang, Yuanyuan; Sun, Zhihua; Ji, Chengmin; Li, Lina; Zhang, Shuquan; Chen, Tianliang; Luo, Junhua","Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound","Crystal Growth & Design","2015","15","1","457","","10.1021/cg501529f","","","0.71073","MoKα","","0.1022","0.078","","","0.223","0.2459","","","","","","1.055","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512450","16.6386","0.0009","19.8615","0.001","9.0962","0.0005","90","","92.422","0.004","90","","3003.3","0.3","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C96 H184 N8 O32 -","8","1","","Tang, Yuanyuan; Sun, Zhihua; Ji, Chengmin; Li, Lina; Zhang, Shuquan; Chen, Tianliang; Luo, Junhua","Hydrogen-Bonded Displacive-Type Ferroelastic Phase Transition in a New Entangled Supramolecular Compound","Crystal Growth & Design","2015","15","1","457","","10.1021/cg501529f","","","0.71073","MoKα","","0.1059","0.0656","","","0.1632","0.188","","","","","","1.046","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512454","5.4051","0.0006","35.529","0.004","16.8799","0.0019","90","","99.541","0.008","90","","3196.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","2","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","1.54178","CuKα","","0.0808","0.063","","","0.1659","0.1835","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512455","5.1067","0.0002","11.928","0.0004","15.558","0.0005","90","","96.711","0.002","90","","941.19","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Weiss, Marcel; Peters, René","Catalytic Direct Dehydrogenative Cross-Couplings of C‒H (Pro)Nucleophiles and Allylic Alcohols without an Additional Oxidant","ACS Catalysis","2015","5","1","310","","10.1021/cs501495g","","","0.71073","MoKα","","0.0505","0.0364","","","0.075","0.0795","","","","","","1.062","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512456","12.878","0.017","15.68","0.02","19.97","0.03","90","","90","","90","","4032","10","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C176 H152 F32 N8 O32 -","8","2","","Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.","Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent","ACS Catalysis","2015","5","1","336","","10.1021/cs501744e","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0603","0.0605","","","","","","1.061","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512457","28.443","0.002","8.4569","0.0007","22.9631","0.0016","90","","107.39","0.009","90","","5271.1","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C22 H27.5 Cl2 N3.5 Ni O8 P -","- C176 H220 Cl16 N28 Ni8 O64 P8 -","8","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.0632","0.0574","","","0.1643","0.1696","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512458","8.7289","0.0007","8.7999","0.0007","13.9708","0.0011","93.47","0.007","106.608","0.007","93.681","0.007","1022.76","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 Cl2 N3 Ni O8 S -","- C15 H25 Cl2 N3 Ni O8 S -","- C30 H50 Cl4 N6 Ni2 O16 S2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.0489","0.0473","","","0.1251","0.1263","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512459","8.0156","0.0005","12.2115","0.0008","19.7215","0.0012","91.373","0.005","99.117","0.005","93.388","0.005","1901.6","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C30 H42 Cl4 N6 Ni2 O8 S2 -","- C60 H84 Cl8 N12 Ni4 O16 S4 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.5418","CuKα","","0.071","0.0637","","","0.1661","0.1709","","","","","","1.091","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512460","9.3883","0.0004","13.0308","0.0006","13.093","0.0006","79.943","0.004","89.364","0.004","73.953","0.004","1514.52","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl2 N3 Ni O9 P -","- C24 H36 Cl2 N3 Ni O9 P -","- C48 H72 Cl4 N6 Ni2 O18 P2 -","2","1","","Chen, Lingjing; Chen, Gui; Leung, Chi-Fai; Yiu, Shek-Man; Ko, Chi-Chiu; Anxolabéhère-Mallart, Elodie; Robert, Marc; Lau, Tai-Chu","Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands","ACS Catalysis","2015","5","1","356","","10.1021/cs501534h","","","1.54184","CUKα","","0.1195","0.1106","","","0.2796","0.2828","","","","","","1.114","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512461","23.711","","24.389","","25.303","","90","","90","","90","","14632.4","","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H61 La2 Mn N6 O53 V13 -","- C18 H42 La2 Mn N6 O53 V13 -","- C144 H336 La16 Mn8 N48 O424 V104 -","8","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0831","0.0567","","","0.1584","0.1772","","","","","","0.994","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512462","13.0427","0.0007","22.8795","0.0012","22.2207","0.0011","90","","97.357","0.001","90","","6576.3","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 La2 Mn N4 O62 V13 -","- C24 H16 La2 Mn N4 O62 V13 -","- C96 H64 La8 Mn4 N16 O248 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0403","0.0295","","","0.0773","0.0869","","","","","","1.04","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512463","13.021","0.003","22.787","0.005","22.153","0.004","90","","97.44","0.03","90","","6518","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Ce2 Mn N4 O62 V13 -","- C24 H16 Ce2 Mn N4 O62 V13 -","- C96 H64 Ce8 Mn4 N16 O248 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1021","0.0639","","","0.1258","0.1397","","","","","","1.034","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512464","14.379","0.003","22.686","0.005","23.782","0.005","89.45","0.03","80.52","0.03","77.84","0.03","7478","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7.5 H42.5 Ce2 Mn N2.5 O53 V13 -","- C7.5 H17.5 Ce2 Mn N2.5 O53 V13 -","- C30 H70 Ce8 Mn4 N10 O212 V52 -","4","2","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1119","0.0785","","","0.2068","0.2277","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512465","12.619","0.003","19.525","0.004","21.983","0.004","90","","95.07","0.03","90","","5395","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C3 H33 K2 Mn N Nd O51 V13 -","- C3 K2 Mn N Nd O51 V13 -","- C12 K8 Mn4 N4 Nd4 O204 V52 -","4","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0955","0.0659","","","0.1494","0.1625","","","","","","1.033","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512466","12.959","0.003","21.707","0.004","21.853","0.004","86.36","0.03","83.99","0.03","86.79","0.03","6094","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H41 Mn N1.5 O56.5 Pr1.5 V13 -","- C9 H6 Mn N1.5 O56.5 Pr1.5 V13 -","- C36 H24 Mn4 N6 O226 Pr6 V52 -","4","2","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.1345","0.0893","","","0.1948","0.2204","","","","","","0.914","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512467","12.6227","0.0008","24.6013","0.0016","32.699","0.002","90","","99.702","0.002","90","","10008.9","1.1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H76 Mn3 N26 O13 W2 -","- C76 H76 Mn3 N26 O13 W2 -","- C304 H304 Mn12 N104 O52 W8 -","4","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0602","0.0548","","","0.1377","0.139","","","","","","1.054","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512468","10.6761","0.0013","16.1012","0.0015","18.0131","0.0015","103.521","0.003","106.261","0.002","108.668","0.003","2632.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H68 Mn3 N40 O10 W2 -","- C76 H68 Mn3 N40 O10 W2 -","- C76 H68 Mn3 N40 O10 W2 -","1","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0522","0.0503","","","0.1238","0.1244","","","","","","1.072","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512469","13.6349","0.0012","34.8022","0.0013","12.2471","0.0011","90","","102.085","0.002","90","","5682.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H86 Mn3 N50 O8 W2 -","- C100 H86 Mn3 N50 O8 W2 -","- C200 H172 Mn6 N100 O16 W4 -","2","0.5","","Yang, Fei-Lin; Yuan, Ai-Hua; Zhou, Hu; Zhou, Hong-Bo; Yang, Dan; Song, You; Li, Yi-Zhi","Syntheses, Structures, and Magnetic Properties of Three Manganese(II)-Octacyanotungstate(V) Bimetallic Compounds with Linear Ligands","Crystal Growth & Design","2015","15","1","176","","10.1021/cg501128n","","","0.71073","MoKα","","0.0588","0.0565","","","0.1458","0.1468","","","","","","1.088","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512470","21.6854","0.0009","29.7276","0.0011","34.8286","0.0014","90","","96.342","0.001","90","","22315","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C138 H258 Mo24 N6 O98 P2 Zn8 -","- C138 H238 Mo24 N6 O92 P2 Zn8 -","- C552 H952 Mo96 N24 O368 P8 Zn32 -","4","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.128","0.0637","","","0.1097","0.133","","","","","","1.067","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512471","37.903","0.003","20.749","0.0016","24.389","0.002","90","","90","","90","","19181","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C60 H98 Mo12 N8 O43 P Zn4 -","- C60 H81 Mo12 N8 O43.5 P Zn4 -","- C480 H648 Mo96 N64 O348 P8 Zn32 -","8","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1792","0.0695","","","0.1598","0.1941","","","","","","1.001","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512472","26.48","0.003","26.845","0.003","27.075","0.003","71.282","0.002","68.629","0.003","63.698","0.002","15772","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H136 Mo12 N7 O50 P Zn4 -","- C20 H12.3333 Mo12 N4 O44 P Zn4 -","- C120 H74 Mo72 N24 O264 P6 Zn24 -","6","3","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1173","0.061","","","0.1485","0.1711","","","","","","0.915","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512473","26.362","0.015","15.478","0.01","27.341","0.018","90","","102.221","0.016","90","","10903","12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H138 Mo12 N7 O50 P Zn4 -","- C70 H124 Mo12 N7 O44 P Zn4 -","- C280 H496 Mo48 N28 O176 P4 Zn16 -","4","1","","Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne","Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands","Crystal Growth & Design","2015","15","1","449","","10.1021/cg501524a","","","0.71073","MoKα","","0.1561","0.0572","","","0.1165","0.1516","","","","","","1.027","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512474","7.3489","0.001","7.3489","0.001","12.642","0.004","90","","90","","120","","591.3","0.2","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","Na3Ba2B6O12F","","","- B6 Ba2 F Na3 O12 -","- B6 Ba2 F Na3 O12 -","- B12 Ba4 F2 Na6 O24 -","2","0.166667","","Zhang, Hui; Zhang, Min; Pan, Shilie; Yang, Zhihua; Wang, Zheng; Bian, Qiang; Hou, Xueling; Yu, Hongwei; Zhang, Fangfang; Wu, Kui; Yang, Feng; Peng, Qinjun; Xu, Zuyan; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Na3Ba2(B3O6)2F: Next Generation of Deep-Ultraviolet Birefringent Materials","Crystal Growth & Design","2015","15","1","523","","10.1021/cg5016912","","","0.71073","MoKα","","0.0128","0.0124","","","0.0285","0.0286","","","","","","1.226","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512475","31.263","0.005","25.383","0.005","26.217","0.005","90","","116.261","0.005","90","","18657","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Co9 N18 O50 -","- C108 H72 Co9 N18 O50 -","- C432 H288 Co36 N72 O200 -","4","0.5","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.5418","CuKα","","0.0771","0.0592","","","0.1501","0.1651","","","","","","0.938","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512476","12.653","0.005","25.497","0.005","28.551","0.005","90","0.005","90.945","0.005","90","0.005","9210","4","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C121 H92 Co9 N20 O44 -","- C121 H92 Co9 N20 O44 -","- C242 H184 Co18 N40 O88 -","2","0.5","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.5418","CuKα","","0.1104","0.0827","","","0.2245","0.2735","","","","","","1.035","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512477","31.1125","0.0017","25.3261","0.0017","12.9022","0.001","90","","113.28","0.007","90","","9338.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C120 H84 Co9 N18 O42 -","- C120 H84 Co9 N18 O42 -","- C240 H168 Co18 N36 O84 -","2","0.25","","Moushi, Eleni E.; Kourtellaris, Andreas; Spanopoulos, Ioannis; Manos, Manolis J.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A Microporous Co2+Metal Organic Framework with Single-Crystal to Single-Crystal Transformation Properties and High CO2Uptake","Crystal Growth & Design","2015","15","1","185","","10.1021/cg501141m","","","1.54184","CuKα","","0.0791","0.0613","","","0.1645","0.1816","","","","","","1.005","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512478","13.8588","0.0008","15.8192","0.0009","17.835","0.001","67.688","0.001","68.686","0.001","76.113","0.001","3346.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H32 Fe N6 O26 S4 U2 -","- C60 H32 Fe N6 O26 S4 U2 -","- C120 H64 Fe2 N12 O52 S8 U4 -","2","1","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0454","0.0299","","","0.0931","0.1243","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512479","16.4997","0.0008","17.2919","0.0008","18.0359","0.0009","90","","90","","90","","5145.8","0.4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 N6 Ni O16 S2 U2 -","- C50 H28 N6 Ni O16 S2 U2 -","- C200 H112 N24 Ni4 O64 S8 U8 -","4","0.5","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0737","0.0337","","","0.0741","0.0864","","","","","","0.975","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512480","12.9801","0.0008","34.096","0.002","16.3847","0.001","90","","94.923","0.001","90","","7224.6","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H44 Cl2 Cu2 N8 O21 U2 -","- C72 H44 Cl2 Cu2 N8 O21 U2 -","- C288 H176 Cl8 Cu8 N32 O84 U8 -","4","1","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0876","0.0406","","","0.0976","0.1292","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512481","12.42","0.003","18.132","0.004","16.188","0.003","90","","104.28","0.03","90","","3532.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N2 O16 S3 U2 -","- C30 H20 N2 O16 S3 U2 -","- C120 H80 N8 O64 S12 U8 -","4","0.5","","Li, Hao-Hong; Zeng, Xian-Hua; Wu, Hong-Yan; Jie, Xiang; Zheng, Shou-Tian; Chen, Zhi-Rong","Incorporating Guest Molecules into Honeycomb Structures Constructed from Uranium(VI)-Polycarboxylates: Structural Diversities and Photocatalytic Activities for the Degradation of Organic Dye","Crystal Growth & Design","2015","15","1","10","","10.1021/cg501252x","","","0.71073","MoKα","","0.0494","0.0304","","","0.0527","0.0569","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512482","5.67388","0.00032","5.67388","","8.0431","0.0008","90","","90","","90","","258.93","0.03","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.19 N0.2 O2.8 Sr Ta0.81 -","- Li0.193 N0.2 O2.8 Sr Ta0.807 -","- Li0.772 N0.8 O11.2 Sr4 Ta3.228 -","4","0.125","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512483","5.7216","0.0006","5.7216","","8.0923","0.001","90","","90","","90","","264.92","0.04","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- N0.2 Na0.19 O2.8 Sr Ta0.81 -","- N0.2 Na0.19113 O2.8 Sr Ta0.80887 -","- N0.8 Na0.76452 O11.2 Sr4 Ta3.23548 -","4","0.125","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.48","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512484","4.13059","0.00005","4.13059","","4.13059","","90","","90","","90","","70.4752","0.0009","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba N0.3 Na0.18 O2.7 Ta0.82 -","- Ba N0.297 Na0.183 O2.703 Ta0.817 -","- Ba N0.297 Na0.183 O2.703 Ta0.817 -","1","0.0208333","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.71","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512485","4.10778","0.00005","4.10778","","4.10778","","90","","90","","90","","69.3141","0.0008","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Li0.2 N0.19 O2.81 Ta0.8 -","- Ba Li0.201 N0.192 O2.808 Ta0.799 -","- Ba Li0.201 N0.192 O2.808 Ta0.799 -","1","0.0208333","","Kim, Young-Il; Paik, Younkee; Avdeev, Maxim","Intercalation Route to Complex Perovskites AM0.2Ta0.8O2.8N0.2(A = Sr, Ba; M = Li, Na): Neutron Diffraction and Nuclear Magnetic Resonance Study","Crystal Growth & Design","2015","15","1","53","","10.1021/cg500739s","powder diffraction","","","","","","","","","","","","","1.52","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512486","55.325","0.011","5.036","0.001","15.642","0.003","90","","98.42","0.03","90","","4311.1","1.5","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Copper(II) decanoate, polymorph C","catena((μ~3~-Decanoato-O,O,O')-(μ~2~-decanoato-O,O')-copper(ii))","","- C20 H38 Cu O4 -","- C20 H38 Cu O4 -","- C160 H304 Cu8 O32 -","8","1","","Ramos Riesco, M.; Martínez-Casado, F. J.; Cheda, J. A. Rodríguez; Redondo Yélamos, M. I.; Fernández-Martínez, A.; López-Andrés, S.","Study of the Polymorphism in Copper(II) Decanoate through Its Phase Diagram with Decanoic Acid, and Texture of the Columnar Thermotropic Liquid Crystal Developable Domains in This and Similar Systems","Crystal Growth & Design","2015","15","1","497","","10.1021/cg501572s","","","0.8","synchrotron","","0.0491","0.039","","","0.0963","0.107","","","","","","1.078","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512487","56.798","0.011","5.076","0.001","16.383","0.003","90","","102.78","0.03","90","","4606.3","1.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Copper(II) decanoate, polymorph C","catena((μ~3~-Decanoato-O,O,O')-(μ~2~-decanoato-O,O')-copper(ii))","","- C20 H38 Cu O4 -","- C20 H38 Cu O4 -","- C160 H304 Cu8 O32 -","8","1","","Ramos Riesco, M.; Martínez-Casado, F. J.; Cheda, J. A. Rodríguez; Redondo Yélamos, M. I.; Fernández-Martínez, A.; López-Andrés, S.","Study of the Polymorphism in Copper(II) Decanoate through Its Phase Diagram with Decanoic Acid, and Texture of the Columnar Thermotropic Liquid Crystal Developable Domains in This and Similar Systems","Crystal Growth & Design","2015","15","1","497","","10.1021/cg501572s","","","0.8","synchrotron","","0.0717","0.0505","","","0.1317","0.1442","","","","","","1.085","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512488","5.6681","0.0008","8.7484","0.0013","14.873","0.002","90","","95.446","0.003","90","","734.18","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B2 F8 N2 -","- C12 H14 B2 F8 N2 -","- C24 H28 B4 F16 N4 -","2","0.5","","Haynes, Keith M.; Perry, Collin M.; Rivas, Marlene; Golden, Teresa D.; Bazan, Antony; Quintana, Maria; Nesterov, Vladimir N.; Berhe, Seare A.; Rodríguez, Juan; Estrada, Walter; Youngblood, W. Justin","Templated electrodeposition and photocatalytic activity of cuprous oxide nanorod arrays.","ACS applied materials & interfaces","2015","7","1","830","837","10.1021/am507244q","","","0.71073","MoKα","","0.0504","0.0403","","","0.1051","0.1128","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512489","16.847","0.0003","13.0275","0.0002","16.3223","0.0012","90","","96.25","0.007","90","","3561","0.3","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br Fe N5 -","- C20 H16 Br Fe N5 -","- C160 H128 Br8 Fe8 N40 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0398","0.039","","","0.1091","0.1097","","","","","","1.099","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512490","8.4756","0.0002","8.8071","0.0003","18.6806","0.0013","99.732","0.007","90.796","0.006","112.598","0.008","1264.06","0.13","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H24 F3 Fe N5 O4 S -","- C25 H24 F3 Fe N5 O4 S -","- C50 H48 F6 Fe2 N10 O8 S2 -","2","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0788","0.0735","","","0.2118","0.2194","","","","","","1.155","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512491","10.7036","0.0002","12.1278","0.0002","12.2733","0.0009","66.351","0.005","73.133","0.005","69.747","0.005","1347.8","0.12","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F6 Fe N5 O6 S2 -","- C23 H19 F6 Fe N5 O6 S2 -","- C46 H38 F12 Fe2 N10 O12 S4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Regulation of Iron-Catalyzed Olefin Hydroboration by Ligand Modifications at a Remote Site","ACS Catalysis","2015","5","1","411","","10.1021/cs501820w","","","1.54178","CuKα","","0.0365","0.0362","","","0.0962","0.0965","","","","","","1.037","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512492","8.4502","0.0004","12.1807","0.0005","10.3745","0.0004","90","","105.125","0.004","90","","1030.85","0.08","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.078","0.0475","","","0.0754","0.0936","","","","","","1.04","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512493","9.3384","0.0003","12.6575","0.0004","9.0498","0.0003","90","","92.26","0.003","90","","1068.86","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0554","0.038","","","0.0661","0.0751","","","","","","1","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512494","7.02123","0.00016","11.402","0.0003","13.3817","0.0003","90","","96.785","0.002","90","","1063.78","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0592","0.0373","","","0.0737","0.0839","","","","","","1.049","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512495","8.45248","0.00018","12.269","0.0002","10.3536","0.0002","90","","105.542","0.002","90","","1034.44","0.04","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl2 O Pt S2 -","- C6 H12 Cl2 O Pt S2 -","- C24 H48 Cl8 O4 Pt4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","x-ray","0.71073","MoKα","","0.0352","0.0298","","","0.0664","0.0696","","","","","","1.023","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512496","9.41666","0.00018","12.6646","0.0002","9.03759","0.00016","90","","91.5297","0.0017","90","","1077.42","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pt S2 -","- C6 H12 Cl2 O Pt S2 -","- C24 H48 Cl8 O4 Pt4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0182","0.0153","","","0.0353","0.0365","","","","","","1.055","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512497","9.3451","0.0004","12.6701","0.0005","9.0724","0.0004","90","","92.424","0.004","90","","1073.24","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O Pd S2 -","- C6 H12 Cl2 O Pd S2 -","- C24 H48 Cl8 O4 Pd4 S8 -","4","1","","Tidey, Jeremiah P.; O'Connor, Alice E; Markevich, Alexander; Bichoutskaia, Elena; Cavan, Joseph J. P.; Lawrance, Geoffrey A.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J.","Epitaxial Retrieval of a Disappearing Polymorph.","Crystal growth & design","2015","15","1","115","123","10.1021/cg500967w","","","0.71073","MoKα","","0.0445","0.0332","","","0.0601","0.0673","","","","","","1.026","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512498","3.6787","0.0002","9.529","0.0006","13.7468","0.001","91.611","0.005","92.252","0.006","100.278","0.005","473.48","0.05","150.05","0.1","150.05","0.1","","","","","","","","3","P -1","-P 1","2","","ebdc","","- C10 H8 O5 -","- C10 H8 O5 -","- C20 H16 O10 -","2","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","","0.7107","MoKα","","0.1303","0.0624","","","0.1396","0.1798","","","","","","0.901","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512499","9.9878","0.0005","17.8249","0.0006","10.577","0.0004","90","","115.088","0.006","90","","1705.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","","0.7107","MoKα","","0.1031","0.06","","","0.1121","0.1294","","","","","","1.016","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512500","10.124","0.0004","15.0418","0.0005","15.048","0.0006","73.172","0.003","75.343","0.003","71.172","0.003","2043.59","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","2","","- C78 H54 N6 O30 Pb6 -","- C78 H54 N6 O30 Pb6 -","- C78 H54 N6 O30 Pb6 -","1","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0887","0.0596","","","0.1166","0.1298","","","","","","1.072","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512501","22.3063","0.0004","18.246","0.0003","21.5618","0.0004","90","","95.649","0.002","90","","8733.1","0.3","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3","","- C61 H27 Cu6 O41 -","- C61 H27 Cu6 O41 -","- C244 H108 Cu24 O164 -","4","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0776","0.057","","","0.1726","0.1871","","","","","","1.054","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512502","11.6687","0.0001","11.6687","0.0001","25.111","0.0004","90","","90","","90","","3419.08","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","4","","- C58 H58 N6 O23 Pb4 -","- C58 H58 N6 O23 Pb4 -","- C116 H116 N12 O46 Pb8 -","2","0.25","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0393","0.0313","","","0.0671","0.0698","","","","","","1.098","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4512503","11.1171","0.0003","14.9906","0.0006","24.3281","0.0008","90","","93.217","0.003","90","","4047.9","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5","","- C75.34 H71.02 N2 O34.66 Zn6 -","- C75.34 H71.02 N2 O34.66 Zn6 -","- C150.68 H142.04 N4 O69.32 Zn12 -","2","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.1476","0.0964","","","0.2168","0.2381","","","","","","1.154","","","","has coordinates,has disorder","204145","2020-10-21","18:00:00",""
"4512504","12.4341","0.0003","18.4339","0.0005","20.2073","0.0005","90","","106.189","0.001","90","","4448","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Gd2 H38 Mo10 O55 -","- Co2 Gd2 H28 Mo10 O55 -","- Co8 Gd8 H112 Mo40 O220 -","4","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0312","0.0291","","","0.0729","0.0741","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512505","12.4365","0.0003","18.4751","0.0005","20.2258","0.0005","90","","106.22","","90","","4462.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co2 H38 Mo10 O55 Tb2 -","- Co2 H28 Mo10 O55 Tb2 -","- Co8 H112 Mo40 O220 Tb8 -","4","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0253","0.0229","","","0.0556","0.0566","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512506","10.5138","0.0006","18.6574","0.0009","12.2419","0.0006","90","","114.168","0.002","90","","2190.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Gd H40 Mo10 N3 O50 -","- Co2 Gd H16 Mo10 N3 O50 -","- Co4 Gd2 H32 Mo20 N6 O100 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0225","0.0222","","","0.0551","0.0552","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512507","10.5165","0.0005","18.6213","0.0008","12.2525","0.0005","90","","114.066","0.001","90","","2190.85","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Tb -","- Co2 H14 Mo10 N3 O50 Tb -","- Co4 H28 Mo20 N6 O100 Tb2 -","2","1","","An, Haiyan; Hu, Ying; Wang, Lin; Zhou, Enlong; Fei, Fei; Su, Zhongmin","3D Racemic Microporous Frameworks and 3D Chiral Supramolecular Architectures Based on Evans‒Showell-Type Polyoxometalates Controlled by the Temperature","Crystal Growth & Design","2015","15","1","164","","10.1021/cg501125h","","","0.71073","MoKα","","0.0181","0.0177","","","0.0428","0.0429","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512508","12.975","0.0004","16.1618","0.0007","13.107","0.0005","90","","94.886","0.003","90","","2738.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H52 Br5.42 Cu5.42 N6 O -","- C52 H52 Br5.418 Cu5.418 N6 O -","- C104 H104 Br10.836 Cu10.836 N12 O2 -","2","1","","Jana, Subrata; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)","Crystal Growth & Design","2015","15","1","257","","10.1021/cg5013236","","","0.71073","MoKα","","0.0416","0.0331","","","0.0664","0.0689","","","","","","0.946","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512509","10.0229","0.0006","24.6728","0.0014","15.0813","0.0008","90","","98.3976","0.0019","90","","3689.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","S69","","","- C36 H39.75 Br2 Cu2 N4 O5.87 -","- C36 H39.746 Br2 Cu2 N4 O5.873 -","- C144 H158.984 Br8 Cu8 N16 O23.492 -","4","1","","Jana, Subrata; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II)","Crystal Growth & Design","2015","15","1","257","","10.1021/cg5013236","","","0.71073","MoKα","","0.0338","0.0242","","","0.052","0.0554","","","","","","1.037","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512510","12.089","0.0019","9.0476","0.0014","36.982","0.006","90","","91.534","0.002","90","","4043.5","1.1","177","2","177","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 N3 O7 P Re S -","- C39.999 H35.998 Cl1.998 F3 N3 O7 P Re S -","- C159.996 H143.992 Cl7.992 F12 N12 O28 P4 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","0.71073","MoKα","","0.0266","0.0214","","","0.0498","0.0522","","","","","","1.03","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512511","11.209","0.0004","11.6194","0.0004","37.5809","0.0014","90","","90","","90","","4894.6","0.3","183","","183","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H46 F3 N2 O7 P2 Re S -","- C55 H46 F3 N2 O7 P2 Re S -","- C220 H184 F12 N8 O28 P8 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","1.54178","CuKα","","0.0348","0.0329","","","0.0825","0.0843","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4512512","17.8016","0.0002","12.0498","0.0002","18.7953","0.0002","90","","117.63","0.001","90","","3571.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Co N3 Si -","- C37 H56 Co N3 Si -","- C148 H224 Co4 N12 Si4 -","4","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54178","CuKα","","0.0282","0.0257","","","0.0625","0.0638","","","","","","1.032","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512513","16.1764","0.0011","9.2233","0.0005","18.8751","0.0012","90","","92.623","0.002","90","","2813.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N2 -","- C31 H45 Co N2 -","- C124 H180 Co4 N8 -","4","0.5","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0809","0.0648","","","0.162","0.1766","","","","","","1.062","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512514","38.978","0.005","10.046","0.005","18.259","0.005","90","0.005","104.3","0.005","90","0.005","6928","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 Co N2 -","- C38 H57 Co N2 -","- C304 H456 Co8 N16 -","8","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0396","0.0327","","","0.0815","0.0856","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512515","11.086","0.005","19.096","0.005","16.774","0.005","90","","94.52","0.005","90","","3540","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Co N3 Si -","- C19 H22 Co N3 Si -","- C152 H176 Co8 N24 Si8 -","8","2","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","1.54184","CuKα","","0.1014","0.0698","","","0.1698","0.1918","","","","","","1.043","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512516","31.103","0.003","31.103","0.003","9.4729","0.0012","90","","90","","120","","7936.3","1.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H21 Cl Co N2 Si -","- C14 H21 Cl Co N2 Si -","- C252 H378 Cl18 Co18 N36 Si18 -","18","1","","Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.","High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands","ACS Catalysis","2015","5","2","622","","10.1021/cs501639r","","","0.71073","MoKα","","0.0431","0.0374","","","0.0901","0.0943","","","","","","1.04","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512517","5.1685","0.0004","5.5274","0.0003","12.422","0.004","90","","100.871","0.015","90","","348.51","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H11 N -","- C8 H11 N -","- C16 H22 N2 -","2","1","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.7107","MoKα","","0.048","0.0347","","","0.084","0.0932","","","","","","1.053","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512518","9.8263","0.0012","8.162","0.005","6.9926","0.0008","90","","90","","90","","560.8","0.4","294","0.5","294","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C6 H14 -","- C6 H14 -","- C24 H56 -","4","0.5","","Bąk, Joanna M.; Gajda, Roman; Woźniak, Krzysztof","New High Pressure Crystal Structures of 2,2-Dimethylbutane and 2,3-Dimethylaniline: Combined X-ray, Raman, and Theoretical Studies","Crystal Growth & Design","2015","15","1","45","","10.1021/cg500998g","","","0.56085","AgKα","","0.0768","0.0499","","","0.086","0.094","","","","","","1.16","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512519","10.568","0.006","12.031","0.005","13.327","0.005","116.71","0.02","105.63","0.03","96.82","0.03","1399.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N5 O9 P -","- C21 H36 N5 O9 P -","- C42 H72 N10 O18 P2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.0707","0.0554","","","0.1504","0.1601","","","","","","1.093","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512520","10.3496","0.0005","12.0188","0.0006","12.9829","0.0006","115.175","0.002","105.644","0.002","98.228","0.002","1344.4","0.12","117","2","117","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H72 N10 O17 P2 -","- C44 H72 N10 O17 P2 -","- C44 H72 N10 O17 P2 -","1","0.5","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.0469","0.0399","","","0.1057","0.1101","","","","","","1.074","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512521","10.555","0.007","12.005","0.007","13.366","0.006","108.71","0.03","113.68","0.03","98.42","0.04","1393.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H35 N5 O9 P -","- C21 H33 N5 O9 P -","- C42 H66 N10 O18 P2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","","","0.71073","MoKα","","0.1114","0.0629","","","0.1542","0.1717","","","","","","1.1","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512522","13.1287","0.0001","24.6784","0.0003","8.34752","0.00008","90","","100.658","0.0005","90","","2657.9","0.05","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H32 N5 O8 P -","- C20 H32 N5 O8 P -","- C80 H128 N20 O32 P4 -","4","1","","Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina","Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil","Crystal Growth & Design","2015","15","1","475","","10.1021/cg501542h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.8734","12.7","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512523","12.7519","0.0012","12.3485","0.001","8.4764","0.0008","90","","95.064","0.002","90","","1329.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0974","0.0528","","","0.1032","0.1178","","","","","","1.014","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512524","15.124","0.003","10.918","0.002","36.182","0.007","90","","102.063","0.004","90","","5842.6","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cd N12 O4 -","- C28 H26 Cd N12 O4 -","- C224 H208 Cd8 N96 O32 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.1214","0.0778","","","0.2125","0.2335","","","","","","1.063","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512525","8.95","0.005","10.672","0.005","11.648","0.005","116.158","0.005","93.181","0.005","104.923","0.005","946.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N14 O12 Zn2 -","- C30 H30 N14 O12 Zn2 -","- C30 H30 N14 O12 Zn2 -","1","0.5","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71069","MoKα","","0.0875","0.0609","","","0.1729","0.2377","","","","","","0.945","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512526","9.232","0.005","9.681","0.005","11.456","0.005","98.481","0.005","109.051","0.004","111.718","0.003","856.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Co2 N14 O2 -","- C32 H32 Cl2 Co2 N14 O2 -","- C32 H32 Cl2 Co2 N14 O2 -","1","0.5","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71069","MoKα","","0.0718","0.0459","","","0.1017","0.1192","","","","","","1.086","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512527","13.0605","0.0009","16.4911","0.0012","16.6975","0.0011","90","","90","","90","","3596.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cu N7 O6 -","- C15 H19 Cu N7 O6 -","- C120 H152 Cu8 N56 O48 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0867","0.0503","","","0.1284","0.1583","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512528","16.308","0.003","6.7933","0.0012","13.732","0.002","90","","110.445","0.004","90","","1425.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Ag N8 O7 -","- C7 H12 Ag N8 O7 -","- C28 H48 Ag4 N32 O28 -","4","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0838","0.052","","","0.1487","0.174","","","","","","1.03","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512529","13.869","0.0002","16.834","0.0002","16.985","0.0002","90","","90","","90","","3965.5","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H40 F4 N3 O P Ru -","- C45 H40 F4 N3 O P Ru -","- C180 H160 F16 N12 O4 P4 Ru4 -","4","1","","McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.","Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage","ACS Catalysis","2015","5","2","776","","10.1021/cs501644r","","","0.71073","MoKα","","0.0337","0.0279","","","0.061","0.0635","","","","","","1.063","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512530","9.65","0.006","17.27","0.012","18.274","0.012","99.057","0.011","90.485","0.009","106.122","0.01","2885","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Co3 N4 O14 -","- C44 H28 Co3 N4 O14 -","- C88 H56 Co6 N8 O28 -","2","1","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.71075","MoKα","","0.1626","0.0898","","","0.2159","0.2484","","","","","","0.989","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512531","11.3407","0.0005","11.3847","0.0009","13.1908","0.0007","88.868","0.006","69.339","0.005","85.726","0.005","1589.07","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.25 H22.5 Co2 N2 O12 -","- C27.25 H16 Co2 N2 O12 -","- C54.5 H32 Co4 N4 O24 -","2","1","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.71073","MoKα","","0.1518","0.1072","","","0.2674","0.2947","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512532","11.3517","0.0012","11.3956","0.001","13.2806","0.0012","90","","110.274","0.011","90","","1611.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H16 Co2 N2 O10 -","- C26 H16 Co2 N2 O10 -","- C52 H32 Co4 N4 O20 -","2","0.5","","Munn, Alexis S.; Amabilino, Silvia; Stevens, Thomas W.; Daniels, Luke M.; Clarkson, Guy J.; Millange, Franck; Lennox, Matthew J.; Düren, Tina; Bourelly, Sandrine; Llewellyn, Philip L.; Walton, Richard I.","Metal‒Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-N-oxide Co-ligands","Crystal Growth & Design","2015","15","2","891","","10.1021/cg501690b","","","0.7107","MoKα","","0.1554","0.0738","","","0.1089","0.1261","","","","","","0.962","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512533","9.4293","0.0019","14.566","0.003","20.591","0.004","74.05","0.03","84.79","0.03","87.1","0.03","2707","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N20 O7 S3 -","- C44 H32 N20 O7 S3 -","- C88 H64 N40 O14 S6 -","2","1","","Sun, Zhiyong; Li, Yangxue; Chen, Li; Jing, Xiabin; Xie, Zhigang","Fluorescent Hydrogen-Bonded Organic Framework for Sensing of Aromatic Compounds","Crystal Growth & Design","2015","15","2","542","","10.1021/cg501652r","","","0.71073","MoKα","","0.1605","0.0975","","","0.226","0.2608","","","","","","1.023","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512534","14.7979","0.0004","18.6413","0.0005","22.2879","0.0005","86.672","0.002","79.485","0.002","75.825","0.003","5860.3","0.3","130","3","130","3","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 N16 O13 Zn4 -","- C76 H52 N16 O13 Zn4 -","- C152 H104 N32 O26 Zn8 -","2","1","","Chen, Di-Ming; Xu, Na; Qiu, Xiao-Hang; Cheng, Peng","Functionalization of Metal‒Organic Framework via Mixed-Ligand Strategy for Selective CO2Sorption at Ambient Conditions","Crystal Growth & Design","2015","15","2","961","","10.1021/cg501758a","","","0.71073","MoKα","","0.0713","0.054","","","0.1564","0.1661","","","","","","1.06","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512535","7.9371","0.0016","15.359","0.003","14.644","0.003","90","","103.76","0.03","90","","1734","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H24 N6 O8 Zn -","- C36 H24 N6 O8 Zn -","- C72 H48 N12 O16 Zn2 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0995","0.0536","","","0.1362","0.1971","","","","","","1.153","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512536","12.411","0.0011","19.5709","0.0017","15.6611","0.0013","90","","90","","90","","3804","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H20 Cu N6 O8 -","- C36 H20 Cu N6 O8 -","- C144 H80 Cu4 N24 O32 -","4","0.5","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.1341","0.0919","","","0.2599","0.2763","","","","","","1.082","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512537","8.026","0.004","15.446","0.007","14.588","0.007","90","","103.873","0.008","90","","1755.7","1.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H25 Co N6 O8.5 -","- C36 H24 Co N6 O8.5 -","- C72 H48 Co2 N12 O17 -","2","1","","Yu, Lei; Hua, Xiu-Ni; Jiang, Xi-Jie; Qin, Lan; Yan, Xiao-Zhi; Luo, Lai-Hui; Han, Lei","Histidine-Controlled Homochiral and Ferroelectric Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","2","687","","10.1021/cg5013796","","","0.71073","MoKα","","0.0928","0.0692","","","0.1723","0.1902","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512538","40.979","0.004","40.979","0.004","16.064","0.003","90","","90","","120","","23362","5","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C25.75 H22.75 Cu2 I N5.25 O5.25 -","- C463.5 H409.5 Cu36 I18 N94.5 O94.5 -","18","1","","Wang, Jing; Luo, Jiahuan; Luo, Xiaolong; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of a Three-Dimensional Metal‒Organic Framework with Copper(I) Iodide and 4-(Pyrimidin-5-yl) Benzoic Acid: Controlled Uptake and Release of Iodine","Crystal Growth & Design","2015","15","2","915","","10.1021/cg501730q","","","0.71073","MoKα","","0.1321","0.0643","","","0.1602","0.1951","","","","","","0.974","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512539","6.219","0.0002","6.219","0.0002","37.1067","0.0011","90","","90","","120","","1242.87","0.07","296","2","296","2","","","","","","","","3","R -3 c","-R 3 2""c","167","Copper (I) Tantalum (V) Oxide (2/4/11)","","","- Cu2 O11 Ta4 -","- Cu2.01 O11 Ta4 -","- Cu12.06 O66 Ta24 -","6","","","King, Nacole; Sommer, Roger D.; Watkins-Curry, Pilanda; Chan, Julia Y.; Maggard, Paul A.","Synthesis, Structure, and Thermal Instability of the Cu2Ta4O11Phase","Crystal Growth & Design","2015","15","2","552","","10.1021/cg500987c","","x-ray","0.71073","MoKα","","0.0236","0.0236","","","0.0666","0.0666","","","","","","1.377","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512540","12.637","0.002","13.239","0.002","20.11","0.003","74.822","0.001","76.15","0.002","86.264","0.002","3152.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.7 H64.01 Cu6 N16 O14.7 -","- C49.7 H64.012 Cu6 N16 O14.7 -","- C99.4 H128.024 Cu12 N32 O29.4 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.0992","0.0569","","","0.108","0.1399","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512541","21.3303","0.001","13.9282","0.0007","18.8191","0.0008","90","","105.898","0.002","90","","5377.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H66 Cu3 N12 O14 -","- C47 H66 Cu3 N12 O14 -","- C188 H264 Cu12 N48 O56 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.0568","0.0452","","","0.1077","0.1177","","","","","","1.154","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512542","35.272","0.004","13.7758","0.0014","23.686","0.002","90","","90","","90","","11509","2","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C92 H88 Cu6 N26 O11 -","- C92 H88 Cu6 N26 O11 -","- C368 H352 Cu24 N104 O44 -","4","0.25","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1501","0.0727","","","0.1813","0.2451","","","","","","1.069","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512543","35.434","0.0011","13.446","0.0004","23.5802","0.0008","90","","90","","90","","11234.7","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H86.4 Cu6 N25.6 O14 -","- C90 H86.4 Cu6 N25.6 O14 -","- C360 H345.6 Cu24 N102.4 O56 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1392","0.0912","","","0.2299","0.2649","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512544","11.062","0.002","12.636","0.003","12.816","0.003","86.064","0.002","71.413","0.002","66.729","0.002","1556.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cu6 N16 O12 -","- C50 H56 Cu6 N16 O12 -","- C50 H56 Cu6 N16 O12 -","1","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.091","0.0482","","","0.1087","0.1241","","","","","","0.951","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512545","11.174","0.004","12.452","0.004","13.109","0.008","113.89","0.005","94.844","0.006","113.569","0.004","1461","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cu3 N8 O6 -","- C25 H26 Cu3 N8 O6 -","- C50 H52 Cu6 N16 O12 -","2","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.1303","0.0667","","","0.1531","0.1969","","","","","","0.979","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512546","12.705","0.006","17.071","0.008","19.391","0.01","90","","98.032","0.004","90","","4164","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cu3 N12 O7 -","- C38 H36 Cu3 N12 O7 -","- C152 H144 Cu12 N48 O28 -","4","1","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2°","Crystal Growth & Design","2015","15","3","1259","","10.1021/cg501647r","","","0.71073","MoKα","","0.2891","0.1282","","","0.2165","0.2843","","","","","","1.004","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512547","14.962","0.0012","15.011","0.0012","17.5963","0.0015","90","","98.092","0.001","90","","3912.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Mn2 N8 O8 -","- C44 H34 Mn2 N8 O8 -","- C176 H136 Mn8 N32 O32 -","4","1","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.041","0.0314","","","0.078","0.0841","","","","","","1.026","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512548","7.57","0.007","10.63","0.01","16.062","0.015","97.955","0.01","94.363","0.011","103.286","0.01","1238","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Mn N3.33 O6 -","- C18 H12 Mn N3.33333 O6 -","- C54 H36 Mn3 N10 O18 -","3","1.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.0693","0.0615","","","0.1627","0.169","","","","","","1.06","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512549","9.5561","0.0009","17.3966","0.0014","22.1223","0.0016","90","","112.042","0.003","90","","3408.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Mn3 N8 O24 -","- C72 H60 Mn3 N8 O24 -","- C144 H120 Mn6 N16 O48 -","2","0.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.1292","0.0544","","","0.097","0.124","","","","","","0.999","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512550","13.1418","0.0005","20.3611","0.0007","14.6089","0.0007","90","","110.305","0.006","90","","3666.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 Mn2 N8 O22 -","- C80 H60 Mn2 N8 O22 -","- C160 H120 Mn4 N16 O44 -","2","0.5","","Zhao, Ying; Chang, Xin-Hong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Five Mn(II) Coordination Polymers Based on 2,3′,5,5′-Biphenyl Tetracarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","2","966","","10.1021/cg501768f","","","0.71073","MoKα","","0.1409","0.0675","","","0.1438","0.1845","","","","","","1.007","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512551","12.4092","0.0002","4.6608","0.0001","11.8316","0.0002","90","","90","","90","","684.3","0.02","20","0.05","20","0.05","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Charge Density Analysis of 2,6-Dinitrophenol","Crystal Growth & Design","2015","15","2","875","","10.1021/cg5016725","","","0.71073","MoKα","","0.013","0.012","","","","0.012","","","","","","1.404","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512552","24.9643","0.0006","14.9519","0.0003","26.8128","0.0006","90","","119.084","0.0012","90","","8746.3","0.4","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C400 H464 N16 O32 -","16","2","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.1038","","","","0.3738","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512553","13.4479","0.0004","25.9325","0.0008","24.8064","0.0008","90","","100.924","0.0014","90","","8494.2","0.5","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 N2 O4 -","- C49 H56 N2 O4 -","- C392 H448 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.11","","","","0.3674","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512554","13.5129","0.0012","25.861","0.002","24.783","0.002","90","","100.788","0.004","90","","8507.5","1.2","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H56 N2 O4 -","- C49 H56 N2 O4 -","- C392 H448 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.124","","","","0.3746","","","","","","0.931","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512555","13.5015","0.0003","25.7288","0.0006","24.7927","0.0006","90","","100.818","0.0012","90","","8459.4","0.3","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 O4 -","- C48 H54 N2 O4 -","- C384 H432 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.1164","","","","0.2956","","","","","","1.421","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512556","13.419","","25.736","","24.798","","90","","100.684","","90","","8415.56","","213.1","","213.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 O4 -","- C48 H54 N2 O4 -","- C384 H432 N16 O32 -","8","1","","Sasaki, Toshiyuki; Ida, Yoko; Yuge, Tetsuharu; Yamamoto, Atsushi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Chirality Generation in Supramolecular Clusters: Analogues of Octacoordinated Polyhedrons","Crystal Growth & Design","2015","15","2","658","","10.1021/cg5013445","","","1.54187","CuKα","","","0.0725","","","","0.246","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512557","6.2822","0.0002","13.4037","0.0004","15.5274","0.0006","90","","93.563","0.003","90","","1304.95","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O8 -","- C12 H12 N2 O8 -","- C48 H48 N8 O32 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0453","0.038","","","0.1078","0.1141","","","","","","1.002","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512558","7.7932","0.0005","8.0164","0.0005","10.2555","0.0007","76.952","0.005","77.24","0.005","61.961","0.006","545.97","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C22 H20 N8 O6 -","2","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0417","0.036","","","0.0958","0.1004","","","","","","1.066","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512559","5.2384","0.0009","28.141","0.005","7.8234","0.0013","90","","91.938","0.014","90","","1152.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 O4 -","- C9 H11 N5 O4 -","- C36 H44 N20 O16 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0667","0.0519","","","0.1403","0.1547","","","","","","1.076","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512560","9.2881","0.0004","9.9444","0.0004","12.434","0.0005","95.507","0.004","106.56","0.004","90.488","0.004","1094.97","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","2","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0548","0.0428","","","0.1128","0.1216","","","","","","1.05","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512561","8.545","0.0009","10.4099","0.0009","11.0248","0.0011","64.251","0.009","83.081","0.008","86.219","0.007","876.77","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N6 O6 -","- C14 H22 N6 O6 -","- C28 H44 N12 O12 -","2","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Ganduri, Ramesh; Stephen, L. Devaraj; Perumalla, Sravankumar; Guru Row, Tayur N.","Differential Cocrystallization Behavior of Isomeric Pyridine Carboxamides toward Antitubercular Drug Pyrazinoic Acid","Crystal Growth & Design","2015","15","2","858","","10.1021/cg501642m","","","0.71073","MoKα","","0.0753","0.0504","","","0.135","0.1555","","","","","","1.052","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512562","9.9651","0.0007","5.0604","0.0004","7.2114","0.0005","90","","109.332","0.0009","90","","343.15","0.04","150","","150","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","","","- O10 Ti6 -","- O10 Ti6 -","- O20 Ti12 -","2","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.0148","","","","","","0.01487","0.02483","1.3629","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512563","9.9695","0.0007","5.0739","0.0003","7.1817","0.0005","90","","109.863","0.0006","90","","341.67","0.04","300","","300","","","","","","","","","2","I 1 2/c 1","-I 2yc","15","","","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.01547","","","","","","0.01545","0.03527","1.4279","","","","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512564","10.2338","0.0007","8.387","0.0004","18.4587","0.0014","90","","94.877","0.006","90","","1578.59","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O8 Zn -","- C13 H19 N O8 Zn -","- C52 H76 N4 O32 Zn4 -","4","1","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.0542","0.0436","","","0.121","0.1259","","","","","","1.202","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512565","9.9286","0.0005","16.0382","0.001","10.6658","0.0005","90","","101.588","0.004","90","","1663.77","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O16 Zn3 -","- C32 H34 N2 O16 Zn3 -","- C64 H68 N4 O32 Zn6 -","2","0.5","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.1014","0.048","","","0.1081","0.1419","","","","","","1.021","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512566","13.6546","0.0018","14.2126","0.0018","14.6377","0.0019","76.057","0.011","86.39","0.011","67.91","0.012","2553.4","0.6","173.05","0.1","173.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45.2 N2 O21.6 Zn5 -","- C36 H45.2 N2 O21.6 Zn5 -","- C72 H90.4 N4 O43.2 Zn10 -","2","1","","Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius","New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO","Crystal Growth & Design","2015","15","2","799","","10.1021/cg501604c","","","0.71073","MoKα","","0.1083","0.0617","","","0.1299","0.1445","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512567","7.0609","0.0003","13.0523","0.0006","15.6203","0.0008","90","","98.512","0.004","90","","1423.73","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27 N5 O4 -","- C36 H27 N5 O4 -","- C72 H54 N10 O8 -","2","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0493","0.0439","","","0.1278","0.1347","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512568","9.4259","0.0003","9.4259","0.0003","45.174","0.003","90","","90","","90","","4013.6","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C176 H176 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0539","0.0471","","","0.1351","0.1418","","","","","","1.034","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512569","7.8903","0.0007","11.6558","0.0008","20.221","0.002","90","","97.454","0.008","90","","1844","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 Br N3 O4.5 -","- C18.5 H16 Br N3 O4.5 -","- C74 H64 Br4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.107","0.0775","","","0.1773","0.2076","","","","","","1.039","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512570","8.1686","0.0005","11.767","0.0004","20.2208","0.0009","90","","98.256","0.005","90","","1923.48","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18.5 H16 I N3 O4.5 -","- C18.5 H16 I N3 O4.5 -","- C74 H64 I4 N12 O18 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0646","0.055","","","0.1384","0.1469","","","","","","1.048","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512571","9.1474","0.0003","9.1474","0.0003","45.447","0.002","90","","90","","90","","3802.8","0.2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H19 N3 O5 S -","- C20 H19 N3 O5 S -","- C160 H152 N24 O40 S8 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0766","0.0631","","","0.1561","0.1687","","","","","","1.026","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512572","8.8106","0.0003","9.3624","0.0003","24.5159","0.0007","90","","90","","90","","2022.28","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0761","0.0578","","","0.1729","0.1856","","","","","","1.071","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512573","8.6816","0.0003","9.268","0.0003","18.9183","0.0005","85.672","0.002","79.851","0.002","62.346","0.002","1327.17","0.08","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H29 N5 O6 -","- C27 H29 N5 O6 -","- C54 H58 N10 O12 -","2","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0583","0.0476","","","0.1172","0.1271","","","","","","1.068","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512574","8.3033","0.0006","14.3166","0.0009","27.1828","0.0015","90","","90.998","0.006","90","","3230.9","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H13 N3 O5 -","- C18 H13 N3 O5 -","- C144 H104 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0998","0.0658","","","0.1602","0.1938","","","","","","1.001","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512575","8.4504","0.0005","14.1551","0.0009","27.2253","0.0016","90","","92.716","0.005","90","","3252.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.25 H14 N3 O5 -","- C18.25 H14 N3 O5 -","- C146 H112 N24 O40 -","8","4","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.1736","0.0894","","","0.0929","0.1192","","","","","","1.006","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512576","11.2039","0.0004","16.661","0.0007","20.729","0.0009","90","","90","","90","","3869.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 N7 O14 S -","- C39 H37 N7 O14 S -","- C156 H148 N28 O56 S4 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0556","0.0433","","","0.1035","0.1143","","","","","","1.015","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512577","9.2737","0.0003","9.2737","0.0003","45.268","0.002","90","","90","","90","","3893.1","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C168 H160 N32 O40 -","8","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0715","0.0645","","","0.1497","0.1541","","","","","","0.997","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512578","9.1427","0.0004","20.8064","0.001","9.5488","0.0004","90","","101.925","0.004","90","","1777.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 N4 O7 -","- C18 H14 N4 O7 -","- C72 H56 N16 O28 -","4","2","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0548","0.0427","","","0.109","0.1193","","","","","","0.998","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512579","5.5225","0.0004","8.0712","0.0004","31.0578","0.0015","94.482","0.004","92.994","0.005","105.696","0.005","1324.76","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,7-dioctyloxy-[1]benzothieno[3,2,b]benzothiophene","","- C30 H40 O2 S2 -","- C30 H40 O2 S2 -","- C60 H80 O4 S4 -","2","1","","Jones, Andrew O. F.; Geerts, Yves H.; Karpinska, Jolanta; Kennedy, Alan R.; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele","Substrate-Induced Phase of a [1]Benzothieno[3,2-b]benzothiophene Derivative and Phase Evolution by Aging and Solvent Vapor Annealing.","ACS applied materials & interfaces","2015","7","3","1868","1873","10.1021/am5075908","","","0.71073","MoKα","","0.0939","0.0537","","","0.0918","0.104","","","","","","1.054","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512580","9.4861","0.0015","13.822","0.002","14.253","0.003","100.383","0.007","90.419","0.008","107.068","0.006","1753.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N2 O3 S2 -","- C41 H36 N2 O3 S2 -","- C82 H72 N4 O6 S4 -","2","1","","Baheti, Abhishek; Justin Thomas, K. R.; Li, Chun-Ting; Lee, Chuan-Pei; Ho, Kuo-Chuan","Fluorene-based sensitizers with a phenothiazine donor: effect of mode of donor tethering on the performance of dye-sensitized solar cells.","ACS applied materials & interfaces","2015","7","4","2249","2262","10.1021/am506149q","","","0.71073","MoKα","","0.2062","0.0719","","","0.1901","0.2585","","","","","","0.984","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512581","10.2863","0.0007","18.1078","0.0013","10.1523","0.0007","90","","94.602","0.004","90","","1884.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.0571","0.0391","","","0.0877","0.0948","","","","","","1.034","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512582","49.7851","0.0012","49.7851","0.0012","6.7498","0.0002","90","","90","","120","","14488.4","0.7","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C98.91 H133.82 O24.1 -","- C98.912 H133.824 O24.098 -","- C593.472 H802.944 O144.588 -","6","1","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.1303","0.0862","","","0.2079","0.2372","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512583","22.3255","0.001","22.3255","0.001","14.2555","0.0007","90","","90","","90","","7105.3","0.6","100","2","99.99","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C336 H416 O80 -","16","","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.0529","0.0445","","","0.1166","0.1231","","","","","","1.027","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512584","16.1973","0.0014","9.2551","0.0007","18.251","0.002","90","","90","","90","","2736","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H20 Cl N3 Ni -","- C12 H20 Cl N3 Ni -","- C96 H160 Cl8 N24 Ni8 -","8","2","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.056","0.0367","","","0.0595","0.0651","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512585","9.7694","0.0008","14.6639","0.0017","12.8939","0.0012","90","","100.806","0.007","90","","1814.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 Ni -","- C20 H25 N3 Ni -","- C80 H100 N12 Ni4 -","4","1","","Pérez García, Pablo M.; Ren, Peng; Scopelliti, Rosario; Hu, Xile","Nickel-Catalyzed Direct Alkylation of Terminal Alkynes at Room Temperature: A Hemilabile Pincer Ligand Enhances Catalytic Activity","ACS Catalysis","2015","5","2","1164","","10.1021/cs501502u","","","0.71073","MoKα","","0.0868","0.0566","","","0.1115","0.1242","","","","","","1.267","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512586","14.7034","0.0006","15.3502","0.0007","30.5317","0.0013","81.607","0.004","77.192","0.004","79.041","0.004","6558.1","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C144 H154 B2 Fe3 O13 P8 -","- C144 H134 B2 Fe3 O13 P8 -","- C288 H268 B4 Fe6 O26 P16 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1915","0.0928","","","0.2255","0.286","","","","","","0.988","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512587","11.3961","0.0004","11.8042","0.0004","14.9611","0.0004","88.014","0.002","81.462","0.002","63.904","0.003","1786.33","0.11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C42 H44 Fe P4 -","- C42 H44 Fe P4 -","- C84 H88 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.0467","0.0362","","","0.0882","0.0985","","","","","","0.976","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512588","11.6311","0.0004","12.2422","0.0004","18.0737","0.0003","104.224","0.003","98.681","0.003","106.392","0.003","2325.12","0.14","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H58 B F4 Fe N P4 -","- C49 H46 B F4 Fe N P4 -","- C98 H92 B2 F8 Fe2 N2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","1.54184","CuKα","","0.1261","0.1003","","","0.272","0.2994","","","","","","1.083","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512589","12.4918","0.0006","13.5351","0.0007","19.2058","0.0009","92.091","0.004","105.612","0.004","94.273","0.004","3113.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C66 H63 B Fe P4 -","- C66 H63 B Fe P4 -","- C132 H126 B2 Fe2 P8 -","2","1","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71073","MoKα","","0.08","0.0551","","","0.1512","0.1659","","","","","","1.028","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512590","33.6116","0.0014","14.8734","0.0008","20.7957","0.001","90","","105.833","0.004","90","","10001.7","0.9","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C103 H117 B4 F16 Fe2 N7 P8 -","- C103 H114 B4 F16 Fe2 N7 P8 -","- C412 H456 B16 F64 Fe8 N28 P32 -","4","0.5","","Bertini, Federica; Mellone, Irene; Ienco, Andrea; Peruzzini, Maurizio; Gonsalvi, Luca","Iron(II) Complexes of the Linearrac-Tetraphos-1 Ligand as Efficient Homogeneous Catalysts for Sodium Bicarbonate Hydrogenation and Formic Acid Dehydrogenation","ACS Catalysis","2015","5","2","1254","","10.1021/cs501998t","","x-ray","0.71069","MoKα","","0.1202","0.0771","","","0.2044","0.2393","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512591","16.1623","0.0009","17.5366","0.0011","13.8202","0.0008","90","","90","","90","","3917.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N4 O2 -","- C22 H24 N4 O2 -","- C176 H192 N32 O16 -","8","1","","Selvaraju, Manikandan; Sun, Chung-Ming","Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.","ACS combinatorial science","2015","17","3","182","189","10.1021/co500152s","","","0.71073","MoKα","","0.1011","0.0624","","","0.135","0.1773","","","","","","1.142","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512592","13.1619","0.0006","11.2406","0.0004","25.1656","0.0012","90","","101.799","0.002","90","","3644.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N3 O S -","- C18 H27 N3 O S -","- C144 H216 N24 O8 S8 -","8","2","","Selvaraju, Manikandan; Sun, Chung-Ming","Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.","ACS combinatorial science","2015","17","3","182","189","10.1021/co500152s","","","0.71073","MoKα","","0.0838","0.0458","","","0.1287","0.1678","","","","","","1.064","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512593","34.0574","0.0017","34.0574","0.0017","6.9475","0.0005","90","","90","","90","","8058.5","0.8","100","2","100","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C84.65 H64.98 F24 N8.33 P4 -","- C84.664 H64.996 F24 N8.332 P4 -","- C338.656 H259.984 F96 N33.328 P16 -","4","","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0881","0.0773","","","0.1879","0.1942","","","","","","1.13","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512594","35.4484","0.0013","10.5194","0.0004","29.0669","0.001","90","","109.864","0.002","90","","10194","0.7","100","2","99.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C98 H96 F36 N8 O16 P6 -","- C98 H96 F36 N8 O16 P6 -","- C392 H384 F144 N32 O64 P24 -","4","1","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0836","0.07","","","0.1825","0.1959","","","","","","1.035","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512595","7.3021","0.0003","13.6827","0.0005","39.2653","0.0013","90","","95.246","0.002","90","","3906.7","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H67 F24 N9 P4 -","- C86 H67 F24 N9 P4 -","- C172 H134 F48 N18 P8 -","2","0.5","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0643","0.0539","","","0.1372","0.145","","","","","","1.029","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512596","11.4221","0.0004","13.2531","0.0004","15.8643","0.0005","90","","99.1783","0.0014","90","","2370.76","0.13","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 F12 N4 P2 -","- C52 H52 F12 N4 P2 -","- C104 H104 F24 N8 P4 -","2","0.5","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","0.71073","MoKα","","0.0614","0.0474","","","0.1453","0.1624","","","","","","1.047","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512597","11.297","0.0011","9.6083","0.001","14.7567","0.0015","90","","91.536","0.009","90","","1601.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Ag4 N4 O9 -","- C12 H6 Ag4 N4 O9 -","- C48 H24 Ag16 N16 O36 -","4","0.5","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0469","0.0375","","","0.0917","0.097","","","","","","1.182","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512598","13.8475","0.0007","15.1719","0.0008","16.477","0.0008","75.798","0.004","81.449","0.004","63.074","0.005","2989.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Ag6 Gd2 N12 O33 -","- C36 H30 Ag6 Gd2 N12 O33 -","- C72 H60 Ag12 Gd4 N24 O66 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0581","0.044","","","0.1071","0.1161","","","","","","1.018","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512599","6.6739","0.0004","10.0822","0.0006","14.9383","0.0008","99.695","0.005","101.871","0.005","105.78","0.005","919.34","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag N4 O12 Tb -","- C12 H12 Ag N4 O12 Tb -","- C24 H24 Ag2 N8 O24 Tb2 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0475","0.0455","","","0.1244","0.1268","","","","","","1.046","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512600","6.663","0.0007","10.0416","0.0009","14.9312","0.0014","99.561","0.008","101.678","0.009","105.824","0.009","914.92","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Dy N4 O12 -","- C12 H12 Ag Dy N4 O12 -","- C24 H24 Ag2 Dy2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0488","0.0447","","","0.1139","0.1186","","","","","","1.049","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512601","6.641","0.002","10.095","0.003","14.902","0.005","99.44","0.03","101.82","0.03","106","0.03","913.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Ho N4 O12 -","- C12 H12 Ag Ho N4 O12 -","- C24 H24 Ag2 Ho2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.2387","0.1432","","","0.3284","0.4722","","","","","","1.054","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512602","6.6298","0.0004","10.0444","0.001","14.8892","0.0015","99.418","0.008","101.793","0.007","105.825","0.007","908.11","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Ag Er N4 O12 -","- C12 H12 Ag Er N4 O12 -","- C24 H24 Ag2 Er2 N8 O24 -","2","1","","Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming","Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","3","1249","","10.1021/cg501644z","","","0.71073","MoKα","","0.0993","0.0893","","","0.236","0.2489","","","","","","1.089","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512603","5.4494","0.001","7.0744","0.001","28.993","0.005","90.43","0.02","92.25","0.02","82.93","0.02","1108.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[C1C12triaz]I3","","","- C15 H30 I3 N3 O0 -","- C15 H30 I3 N3 -","- C30 H60 I6 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.151","0.1037","","","0.275","0.2906","","","","","","1.149","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512604","5.4934","0.0017","8.7114","0.0015","19.501","0.005","78.91","0.02","85.39","0.03","84.046","0.017","909.1","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]Br","","","- C15 H30 Br N3 -","- C15 H30 Br N3 -","- C30 H60 Br2 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.0483","0.0341","","","0.0763","0.0797","","","","","","0.901","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512605","5.6056","0.0006","8.907","0.001","19.523","0.003","79.8","0.02","83.5","0.02","81.78","0.02","945.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]I","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C30 H60 I2 N6 -","2","1","","Stappert, Kathrin; Ünal, Derya; Spielberg, Eike T.; Mudring, Anja-Verena","Influence of the Counteranion on the Ability of 1-Dodecyl-3-methyltriazolium Ionic Liquids to Form Mesophases","Crystal Growth & Design","2015","15","2","752","","10.1021/cg501564j","","","0.71073","MoKα","","0.0771","0.0448","","","0.0716","0.0825","","","","","","0.987","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512606","11.687","0.005","14.276","0.005","14.847","0.005","107.624","0.005","94.648","0.005","108.89","0.005","2189.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","- C66 H76 Cl2 Gd4 Mn2 N6 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0777","0.0461","","","0.1117","0.1193","","","","","","0.952","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512607","13.425","0.005","13.637","0.005","14.927","0.005","73.564","0.005","69.223","0.005","68.784","0.005","2344.1","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","- C82 H100 Cl2 Mn2 N14 O22 Tb4 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0831","0.0616","","","0.1607","0.2233","","","","","","1.145","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512608","13.241","0.005","14.275","0.005","14.89","0.005","103.847","0.005","110.331","0.005","101.321","0.005","2438.7","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","- C66 H76 Cl2 Dy4 Mn2 N6 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0365","0.0267","","","0.0698","0.0719","","","","","","1.025","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512609","13.327","0.005","13.649","0.005","14.848","0.005","73.807","0.005","69.316","0.005","69.002","0.005","2322.8","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","- C82 H100 Cl2 Ho4 Mn2 N14 O22 -","1","0.5","","Chakraborty, Amit; Bag, Prasenjit; Goura, Joydeb; Bar, Arun Kumar; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Chair-Shaped MnII2LnIII4(Ln = Gd, Tb, Dy, Ho) Heterometallic Complexes Assembled from a Tricompartmental Aminobenzohydrazide Ligand","Crystal Growth & Design","2015","15","2","848","","10.1021/cg501640y","","","0.71069","MoKα","","0.0457","0.0292","","","0.0608","0.0656","","","","","","1.019","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512610","9.9049","0.0006","10.7803","0.0008","13.9607","0.0009","107.848","0.006","101.55","0.005","104.173","0.006","1313.14","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 Cu N6 O9 -","- C22 H26 Cl2 Cu N6 O9 -","- C44 H52 Cl4 Cu2 N12 O18 -","2","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1022","0.057","","","0.1301","0.1391","","","","","","1.03","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512611","9.1591","0.0016","10.5151","0.0013","15.692","0.003","81.424","0.013","73.713","0.015","87.394","0.013","1434.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cd Cl2 N6 O10 -","- C23 H30 Cd Cl2 N6 O10 -","- C46 H60 Cd2 Cl4 N12 O20 -","2","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0697","0.0408","","","0.0777","0.0911","","","","","","1.015","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512612","20.955","0.014","15.726","0.011","8.128","0.007","90","","97.42","0.015","90","","2656","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cl2 N6 Ni O10 -","- C21 H26 Cl2 N6 Ni O10 -","- C84 H104 Cl8 N24 Ni4 O40 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1858","0.1096","","","0.2637","0.3011","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512613","14.888","0.003","11.648","0.002","14.253","0.003","90","","114.83","0.03","90","","2243.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N8 Ni O6 -","- C21 H20 N8 Ni O6 -","- C84 H80 N32 Ni4 O24 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0422","0.0359","","","0.1011","0.1066","","","","","","1.099","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512614","14.5503","0.0005","11.3288","0.0003","34.785","0.0013","90","","90","","90","","5733.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H52 Cl4 Cu2 N14 O16 -","- C52 H52 Cl4 Cu2 N14 O16 -","- C208 H208 Cl16 Cu8 N56 O64 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1055","0.084","","","0.2117","0.2259","","","","","","1.049","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512615","14.187","0.001","14.5672","0.0009","19.9189","0.0009","111.146","0.005","96.06","0.005","91.536","0.005","3808.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H140 Cd4 Cl8 N32 O40 -","- C126 H120 Cd4 Cl8 N32 O40 -","- C126 H120 Cd4 Cl8 N32 O40 -","1","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1199","0.0762","","","0.2244","0.2416","","","","","","1.025","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512616","11.5631","0.0004","17.4706","0.0006","17.6941","0.0006","90","","99.307","0.003","90","","3527.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl2 N8 Ni O9 -","- C32 H34 Cl2 N8 Ni O9 -","- C128 H136 Cl8 N32 Ni4 O36 -","4","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.0641","0.0558","","","0.1682","0.1795","","","","","","1.035","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512617","12.0107","0.0004","16.2421","0.0008","17.5907","0.0006","90","","98.536","0.004","90","","3393.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N10 Ni O8 -","- C32 H32 N10 Ni O8 -","- C128 H128 N40 Ni4 O32 -","4","1","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1451","0.086","","","0.2301","0.2557","","","","","","1.025","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512618","20.1049","0.0018","12.7575","0.0015","14.427","0.0012","90","","90","","90","","3700.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H20 N18 O10 Zn5 -","- C26 H20 N18 O10 Zn5 -","- C52 H40 N36 O20 Zn10 -","2","0.5","","Fu, Hong-Ru; Zhang, Jian","Flexible Porous Zinc‒Pyrazole‒Adenine Framework for Hysteretic Sorption of Light Hydrocarbons","Crystal Growth & Design","2015","15","3","1210","","10.1021/cg5016093","","","0.71073","MoKα","","0.0615","0.0503","","","0.1401","0.1471","","","","","","1.055","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512619","26.3712","0.0009","10.1433","0.0005","7.9013","0.0003","90","","90","","90","","2113.53","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexabromidorhodate(III) bromide monohydrate","","- C8 H26 Br7 N4 O Rh -","- C8 H26 Br7 N4 O Rh -","- C32 H104 Br28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0367","0.0203","","","0.0343","0.0359","","","","","","0.94","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512620","27.4238","0.0009","10.5512","0.0004","8.3875","0.0003","90","","90","","90","","2426.96","0.15","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Piperazine-1,4-diium hexaiodidorhodate(III) iodide monohydrate","","- C8 H26 I7 N4 O Rh -","- C8 H26 I7 N4 O Rh -","- C32 H104 I28 N16 O4 Rh4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.031","0.0196","","","0.0353","0.0373","","","","","","0.995","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512621","11.4831","0.0005","5.9049","0.0002","13.9367","0.0006","90","","108.393","0.004","90","","896.72","0.07","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Piperazine-1,4-diium dibromide monohydrate","","- C4 H14 Br2 N2 O -","- C4 H14 Br2 N2 O -","- C16 H56 Br8 N8 O4 -","4","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0243","0.0201","","","0.0471","0.0491","","","","","","1.105","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512622","6.5186","0.0003","7.495","0.0003","8.1312","0.0004","64.635","0.004","68.06","0.004","69.507","0.004","324.3","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium diiodide diiodine","","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","- C4 H12 I4 N2 -","1","0.5","","Bujak, Maciej","Efficient Diffusion-Controlled Ligand Exchange Crystal Growth of Isostructural Inorganic‒Organic Halogenidorhodates(III): The Missing Hexaiodidorhodate(III) Anion","Crystal Growth & Design","2015","15","3","1295","","10.1021/cg501694d","","","0.71073","MoKα","","0.0252","0.0226","","","0.0549","0.0569","","","","","","1.12","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512623","21.2314","0.0012","6.6965","0.0006","10.3708","0.0009","90","","103.438","0.004","90","","1434.1","0.2","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0827","0.078","","","0.1965","0.2054","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512624","21.1952","0.0013","6.681","0.0004","10.3392","0.0006","90","","103.813","0.003","90","","1421.74","0.15","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0777","0.0629","","","0.1483","0.1606","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512625","20.1876","0.0005","7.0488","0.0002","19.8165","0.0005","90","","90","","90","","2819.86","0.13","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C64 H136 B80 N8 O8 -","8","2","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0349","","","0.0908","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512626","10.3264","0.0005","6.7084","0.0003","10.3786","0.0005","90","","104.834","0.0011","90","","695","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0354","0.0354","","","0.1059","0.106","","","","","","1.145","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512627","10.3272","0.0009","6.7086","0.0008","10.3847","0.0008","90","","104.836","0.004","90","","695.48","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C16 H34 B20 N2 O2 -","2","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0427","0.037","","","0.0975","0.1016","","","","","","1.056","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512628","17.4673","0.0005","10.1711","0.0003","25.4393","0.0009","90","","99.234","0.0012","90","","4461","0.2","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C96 H204 B120 N12 O12 -","12","3","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.069","0.0505","","","0.1422","0.1582","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512629","6.9604","0.0006","8.9624","0.0008","21.6124","0.0019","90","","90","","90","","1348.2","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0381","0.0373","","","0.0984","0.0991","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512630","6.9607","0.0002","8.9631","0.0003","21.6081","0.0007","90","","90","","90","","1348.12","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0456","0.0452","","","0.1192","0.1199","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512631","11.1172","0.0006","7.088","0.0004","20.8811","0.0015","90","","95.55","0.004","90","","1637.69","0.17","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B10 I N O -","- C8 H16 B10 I N O -","- C32 H64 B40 I4 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.077","0.0466","","","0.1339","0.1601","","","","","","1.121","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512632","7.4141","0.0009","14.2828","0.0015","9.2478","0.0009","90","","90","","90","","979.29","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","0.71073","MoKα","","0.0762","0.0459","","","0.0818","0.0969","","","","","","1.078","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512633","13.827","0.002","7.142","0.004","23.804","0.003","90","","90.925","0.005","90","","2350.4","1.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","(est)(pfn)","estrone:perfluoronaphthalene 1:1","","- C28 H22 F8 O2 -","- C28 H22 F8 O2 -","- C112 H88 F32 O8 -","4","2","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.1668","0.0671","","","0.0999","0.1196","","","","","","0.909","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512634","7.349","0.0007","18.363","0.0018","18.6054","0.0018","90","","90","","90","","2510.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(phe)","beta-estradiol:phenanthrene 1:1","","- C32 H34 O2 -","- C32 H34 O2 -","- C128 H136 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0411","0.037","","","0.0966","0.0997","","","","","","1.053","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512635","7.395","0.008","18.402","0.019","18.563","0.019","90","","90","","90","","2526","5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bes)bhq)","beta-estradiol:benzo[h]quinoline 1:1","","- C31 H33 N O2 -","- C31 H33 N O2 -","- C124 H132 N4 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0452","0.0366","","","0.0861","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512636","7.4099","0.0004","15.8244","0.0009","19.9836","0.0012","90","","90","","90","","2343.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(dmn)","beta-estradiol:1,2-dimethylnaphthalene 1:1","","- C30 H36 O2 -","- C30 H36 O2 -","- C120 H144 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0414","0.0371","","","0.0898","0.0927","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512637","24.8834","0.0005","22.8378","0.0005","24.3802","0.0006","90","","105.497","0.007","90","","13351.1","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H65 Cr2 Mn2 N3 O37 -","- C53 H65 Cr2 Mn2 N3 O37 -","- C424 H520 Cr16 Mn16 N24 O296 -","8","2","","Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations","Crystal Growth & Design","2015","15","3","1186","","10.1021/cg501560z","","","0.71075","MoKα","","","0.0907","","","","0.2762","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512638","16.8907","0.0006","14.2315","0.0004","32.9968","0.001","90","","91.3408","0.0011","90","","7929.6","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43.5 Cr F Mn N O19 -","- C33 H43.5 Cr F Mn N O19 -","- C264 H348 Cr8 F8 Mn8 N8 O152 -","8","2","","Endo, Toru; Kubo, Kazuya; Yoshitake, Masashi; Noro, Shin-ichiro; Hoshino, Norihisa; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Three-Dimensional Architectures of [MnIICrIII(oxalate)3]−Complexes with Cage-Type Networks Surrounding Supramolecular Cations","Crystal Growth & Design","2015","15","3","1186","","10.1021/cg501560z","","","0.71075","MoKα","","0.1128","0.0588","","","0.1332","0.1566","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512639","6.7668","0.0001","18.7189","0.0003","8.5717","0.0006","90","","90","","90","","1085.75","0.08","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C20 H36 N8 O32 Sm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71075","MoKα","","0.0396","0.0323","","","0.0598","0.0726","","","","","","1.159","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512640","6.6667","0.0009","18.408","0.003","8.4468","0.0011","90","","90","","90","","1036.6","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C20 H36 Ho4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0237","0.0236","","","0.0596","0.0597","","","","","","1.161","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512641","6.6375","0.0004","18.2953","0.001","8.4058","0.0005","90","","90","","90","","1020.76","0.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C20 H36 N8 O32 Tm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0206","0.0204","","","0.0494","0.0495","","","","","","1.203","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512642","6.6174","0.0009","18.2","0.003","8.3777","0.0012","90","","90","","90","","1009","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C20 H36 Lu4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0334","0.0332","","","0.0873","0.0875","","","","","","1.143","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512643","11.2621","0.0011","7.1374","0.0007","6.5867","0.0006","90","","109.523","0.001","90","","499.01","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Y -","- C5 H9 N2 O8 Y -","- C10 H18 N4 O16 Y2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0312","0.0312","","","0.0797","0.0797","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512644","11.43","0.004","7.22","0.003","6.655","0.002","90","","109.912","0.004","90","","516.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C10 H18 N4 O16 Sm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0351","0.0332","","","0.0886","0.0889","","","","","","1.167","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512645","11.4164","0.0016","7.1985","0.001","6.6405","0.0009","90","","109.829","0.002","90","","513.37","0.12","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Eu N2 O8 -","- C5 H9 Eu N2 O8 -","- C10 H18 Eu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0252","0.0252","","","0.0638","0.0638","","","","","","1.03","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512646","11.38","0.004","7.182","0.002","6.628","0.002","90","","109.754","0.004","90","","509.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Gd N2 O8 -","- C5 H9 Gd N2 O8 -","- C10 H18 Gd2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0238","0.0238","","","0.0603","0.0603","","","","","","1.039","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512647","11.3379","0.001","7.1677","0.0006","6.608","0.0006","90","","109.69","0.001","90","","505.61","0.08","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tb -","- C5 H9 N2 O8 Tb -","- C10 H18 N4 O16 Tb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0326","0.0326","","","0.086","0.086","","","","","","1.076","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512648","11.2487","0.0009","7.1296","0.0006","6.5731","0.0005","90","","109.51","0.001","90","","496.89","0.07","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C10 H18 Ho2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0152","0.0152","","","0.0381","0.0381","","","","","","1.097","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512649","11.172","0.002","7.102","0.0015","6.539","0.0013","90","","109.472","0.002","90","","489.15","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C10 H18 N4 O16 Tm2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0177","0.0177","","","0.0438","0.0438","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512650","11.127","0.002","7.087","0.0015","6.5183","0.0014","90","","109.334","0.002","90","","485.03","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 N2 O8 Yb -","- C5 H9 N2 O8 Yb -","- C10 H18 N4 O16 Yb2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0522","0.0522","","","0.1361","0.1361","","","","","","1.08","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512651","11.081","0.003","7.0226","0.0018","6.485","0.0017","90","","109.129","0.004","90","","476.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C10 H18 Lu2 N4 O16 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0105","0.0105","","","0.0285","0.0285","","","","","","1.104","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512652","7.135","0.001","15.15","0.001","13.955","0.001","90","0.001","97.408","0.002","90","0.001","1495.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piroxicam","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Horstman, Elizabeth M.; Goyal, Sachit; Pawate, Ashtamurthy; Lee, Garam; Zhang, Geoff G. Z.; Gong, Yuchuan; Kenis, Paul J. A.","Crystallization Optimization of Pharmaceutical Solid Forms with X-ray Compatible Microfluidic Platforms","Crystal Growth & Design","2015","15","3","1201","","10.1021/cg5016065","","","0.72932","","","0.1506","0.1462","","","0.2483","0.2522","","","","","","0.796","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512653","12.8823","0.0017","7.2371","0.0008","12.9568","0.0017","90","","119.16","0.018","90","","1054.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-methyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.0731","0.0521","","","0.1507","0.1718","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512654","15.2675","0.0012","11.6921","0.0009","13.8153","0.001","90","","102.428","0.007","90","","2408.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.0819","0.0529","","","0.1365","0.1547","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512655","19.18","0.003","7.9406","0.0011","20.324","0.002","90","","107.147","0.013","90","","2957.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 N4 O2 -","- C35 H30 N4 O2 -","- C140 H120 N16 O8 -","4","0.5","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition","Crystal Growth & Design","2015","15","3","1430","","10.1021/cg501793v","","","0.71073","MoKα","","0.1401","0.0619","","","0.1214","0.1594","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512656","9.3775","0.0006","9.6247","0.0006","10.3197","0.0006","75.145","0.004","63.674","0.003","79.154","0.004","803.92","0.09","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cu N5 O4 -","- C14 H17 Cu N5 O4 -","- C28 H34 Cu2 N10 O8 -","2","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0687","0.0451","","","0.1165","0.132","","","","","","1.086","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512657","17.8116","0.0005","18.5505","0.0006","16.688","0.0005","90","","107.597","0.002","90","","5255.9","0.3","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H21.25 Cl2 Cu N9.25 O8 -","- C20 H21.25 Cl2 Cu N9.25 O8 -","- C160 H170 Cl16 Cu8 N74 O64 -","8","2","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0867","0.0501","","","0.1196","0.1426","","","","","","1.014","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512658","9.7533","0.0003","16.7961","0.0004","7.9741","0.0002","90","","111.478","0.001","90","","1215.58","0.06","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu2 I2 N4 -","- C8 H8 Cu2 I2 N4 -","- C32 H32 Cu8 I8 N16 -","4","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0269","0.0206","","","0.0418","0.0437","","","","","","1.031","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512659","15.0798","0.0006","15.0798","0.0006","15.0798","0.0006","90","","90","","90","","3429.2","0.2","296","2","296","","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 B2 Cu2 F8 N12 -","- C30 H30 B2 Cu2 F8 N12 -","- C120 H120 B8 Cu8 F32 N48 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.049","0.0386","","","0.0717","0.0767","","","","","","1.057","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512660","15.1915","0.001","15.1915","0.001","15.1915","0.001","90","","90","","90","","3505.9","0.4","296","2","296","","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H30 Cl2 Cu2 N12 O8 -","- C30 H30 Cl2 Cu2 N12 O8 -","- C120 H120 Cl8 Cu8 N48 O32 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.048","0.0398","","","0.0772","0.0814","","","","","","1.072","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512661","14.9","0.0005","14.9","0.0005","14.9","0.0005","90","","90","","90","","3307.95","0.19","296","2","296.15","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cu2 N14 O6 -","- C30 H30 Cu2 N13.98 O5.98 -","- C120 H120 Cu8 N55.92 O23.92 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0774","","","","","","1.056","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512662","11.2261","0.0005","11.5771","0.0005","14.337","0.0007","111.278","0.004","95.599","0.004","110.426","0.004","1572.58","0.15","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu2 N13 O8 -","- C26 H27 Cl2 Cu2 N13 O8 -","- C52 H54 Cl4 Cu4 N26 O16 -","2","1","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0304","0.0295","","","0.0755","0.0762","","","","","","1.054","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512663","15.0849","0.0002","15.0849","0.0002","15.0849","0.0002","90","","90","","90","","3432.63","0.08","120.01","0.1","120.01","0.1","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H29 B2 Cu2 F9 N12 -","- C30 H29.01 B2 Cu2 F8.99 N12 -","- C120 H116.04 B8 Cu8 F35.96 N48 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0556","0.0547","","","0.1562","0.1576","","","","","","1.06","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512664","13.3566","0.0002","26.8329","0.0005","12.1604","0.0002","90","","105.069","0.002","90","","4208.38","0.13","290.81","0.1","290.81","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu2 F12 N12 P2 -","- C36 H36 Cu2 F12 N12 P2 -","- C144 H144 Cu8 F48 N48 P8 -","4","0.5","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.54184","CuKα","","0.0344","0.0329","","","0.0864","0.0876","","","","","","1.106","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512665","15.1782","0.0003","15.1782","0.0003","15.1782","0.0003","90","","90","","90","","3496.72","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C30 H30 Cl2 Cu2 N12 O8 -","- C30 H30 Cl2 Cu2 N12 O8 -","- C120 H120 Cl8 Cu8 N48 O32 -","4","0.166667","","Ferguson, Jayne L.; Fitchett, Christopher M.","N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket","Crystal Growth & Design","2015","15","3","1280","","10.1021/cg5016803","","","1.5418","CuKα","","0.0387","0.0348","","","0.0903","0.0928","","","","","","1.058","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512666","7.1792","","8.8975","","4.8117","","90.281","","93.692","","102.185","","299.755","","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Co1.478 O9 V3 -","- Co1.47435 O9 V2.9328 -","- Co2.9487 O18 V5.8656 -","2","1","","Drees, Yvo; Agrestini, Stefano; Zaharko, Oksana; Komarek, Alexander Christoph","Floating Zone Single Crystal Growth of γ-CoV2O6with Substantially Enhanced Crystal Size and Quality","Crystal Growth & Design","2015","15","3","1168","","10.1021/cg5015303","","x-ray","0.71069","MoKα","","0.0209","0.0185","","","0.0498","0.0505","","","","1.8","1.8","1.76","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512667","13.066","0.009","13.642","0.009","16.025","0.011","82.01","0.007","85.328","0.007","79.875","0.007","2780","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 N6 O26 S2 Tb2 -","- C82 H92 N6 O26 S2 Tb2 -","- C82 H92 N6 O26 S2 Tb2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0916","0.0697","","","0.1638","0.1735","","","","","","0.95","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512668","13.008","0.002","13.602","0.003","15.96","0.003","81.863","0.002","85.156","0.002","79.801","0.002","2746.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 Gd2 N6 O26 S2 -","- C82 H92 Gd2 N6 O26 S2 -","- C82 H92 Gd2 N6 O26 S2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0809","0.0498","","","0.1148","0.1248","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512669","13.051","0.005","13.634","0.005","16.013","0.005","81.813","0.004","85.137","0.004","79.793","0.004","2770.4","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 Eu2 N6 O26 S2 -","- C82 H92 Eu2 N6 O26 S2 -","- C82 H92 Eu2 N6 O26 S2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0746","0.0564","","","0.1384","0.1464","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512670","10.8235","0.0009","11.5062","0.0009","17.3496","0.0014","89.269","0.007","88.734","0.007","79.065","0.007","2120.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 N O14 S3 -","- C39 H49 N O14 S3 -","- C78 H98 N2 O28 S6 -","2","1","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.1479","0.0815","","","0.1723","0.2206","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512671","28.39","0.002","6.4428","0.0005","16.4436","0.0013","90","","90.821","0.003","90","","3007.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O2 Pd -","- C37 H29 N3 O2 Pd -","- C148 H116 N12 O8 Pd4 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0519","0.0338","","","0.0939","0.1135","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512672","10.0139","0.0018","10.033","0.002","35.752","0.007","91.858","0.009","95.719","0.009","108.279","0.009","3386","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 N3 O2 Pd -","- C43 H33 N3 O2 Pd -","- C172 H132 N12 O8 Pd4 -","4","2","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0872","0.0499","","","0.1066","0.1254","","","","","","1.026","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512673","6.5511","0.0019","9.456","0.003","31.81","0.009","93.023","0.014","92.432","0.014","106.44","0.013","1884","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 N3 O2 Pd -","- C45 H35 N3 O2 Pd -","- C90 H70 N6 O4 Pd2 -","2","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.1622","0.1111","","","0.2813","0.3191","","","","","","1.103","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512674","28.23","0.013","6.498","0.003","16.353","0.008","90","","90.285","0.016","90","","3000","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O2 Pt -","- C37 H29 N3 O2 Pt -","- C148 H116 N12 O8 Pt4 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0482","0.0278","","","0.0688","0.1016","","","","","","1.137","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512675","21.956","0.003","10.0166","0.0011","33.5","0.004","90","","103.785","0.005","90","","7155.3","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86.5 H67 Cl N6 O4 Pt2 -","- C86.5 H67 Cl N6 O4 Pt2 -","- C346 H268 Cl4 N24 O16 Pt8 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0834","0.0446","","","0.1065","0.1347","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512676","6.9859","0.0003","8.9912","0.0004","15.1002","0.0007","73.049","0.002","81.912","0.002","82.561","0.002","894.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Br N3 O3 S -","- C17 H20 Br N3 O3 S -","- C34 H40 Br2 N6 O6 S2 -","2","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0226","0.0201","","","0.0566","0.0576","","","","","","1.102","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512677","9.3579","0.0002","13.4701","0.0003","14.2923","0.0004","88.8035","0.0012","81.1389","0.0012","78.233","0.0013","1742.56","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","2","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0457","0.034","","","0.0921","0.1005","","","","","","1.042","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512678","10.3503","0.0006","21.2485","0.0012","7.497","0.0004","90","","92.7326","0.0017","90","","1646.93","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.067","0.0444","","","0.1083","0.1215","","","","","","1.02","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512679","10.8848","0.0003","9.6003","0.0002","14.2172","0.0004","90","","108.411","0.0011","90","","1409.62","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.03","0.0268","","","0.0776","0.0801","","","","","","1.093","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512680","7.2339","0.0005","15.6981","0.0011","20.0319","0.0014","73.025","0.002","83.3904","0.0019","83.999","0.002","2155.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","2","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0878","0.0599","","","0.1363","0.1497","","","","","","1.062","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512681","18.2043","0.0008","38.6789","0.0017","8.0104","0.0004","90","","90","","90","","5640.3","0.4","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C224 H256 N32 O64 S16 -","16","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0358","0.0331","","","0.0844","0.0858","","","","","","1.094","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512682","15.4272","0.0002","29.416","0.0004","16.356","0.0002","90","","94.595","0.001","90","","7398.6","0.17","100","2","100","2","","","","","","","","4","I 2/c 1 1","-I 2yc","15","","","","- C24 H8 O14.5 Zn2.5 -","- C24 H11 O14.5 Zn2.5 -","- C192 H88 O116 Zn20 -","8","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0778","0.0652","","","0.1919","0.205","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512683","16.2364","0.0007","16.9453","0.001","18.8524","0.0007","114.997","0.005","90.916","0.003","113.54","0.005","4201.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H19 O24 Zn3.5 -","- C48 H19 O24 Zn3.5 -","- C96 H38 O48 Zn7 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0757","0.0533","","","0.1296","0.1385","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512684","12.4752","0.0007","15.3763","0.0009","17.9551","0.0012","69.517","0.006","75.565","0.005","86.284","0.005","3123.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H12 O19 Zn3 -","- C36 H12 O19 Zn3 -","- C72 H24 O38 Zn6 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.1035","0.0918","","","0.2509","0.265","","","","","","1.011","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512685","9.5137","0.0003","16.1134","0.0004","27.5845","0.0007","91.802","0.002","91.489","0.002","94.441","0.002","4212.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H20 O26 Zn4 -","- C48 H20 O26 Zn4 -","- C96 H40 O52 Zn8 -","2","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.0631","0.0575","","","0.1719","0.1757","","","","","","1.099","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512686","15.0872","0.0005","9.0103","0.0003","24.9822","0.0008","90","","98.24","0.003","90","","3361.03","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 O12 Zn2 -","- C24 H8 O12 Zn2 -","- C96 H32 O48 Zn8 -","4","1","","Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun","Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","3","1481","","10.1021/cg501828u","","","1.54184","CuKα","","0.073","0.0437","","","0.1073","0.1172","","","","","","0.989","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512687","9.9119","0.0016","12.19","0.002","15.309","0.003","69.158","0.002","85.313","0.003","74.516","0.003","1665.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Co N4 O5 -","- C34 H36 Co N4 O5 -","- C68 H72 Co2 N8 O10 -","2","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0967","0.0819","","","0.2219","0.2348","","","","","","1.089","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512688","11.3824","0.001","13.2476","0.0012","18.3587","0.0017","90","","95.487","0.002","90","","2755.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Co N4 O4 -","- C32 H32 Co N4 O4 -","- C128 H128 Co4 N16 O16 -","4","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0514","0.0422","","","0.1111","0.1179","","","","","","1.038","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512689","6.9275","0.0008","21.796","0.004","20.941","0.003","90","","91.218","0.01","90","","3161.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Co N4 O5 -","- C32 H30 Co N4 O5 -","- C128 H120 Co4 N16 O20 -","4","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0877","0.0579","","","0.1849","0.2214","","","","","","0.788","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512690","12.046","0.003","12.344","0.003","14.451","0.003","114.793","0.004","95.386","0.004","102.565","0.004","1862","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co2 N4 O8 -","- C42 H38 Co2 N4 O8 -","- C84 H76 Co4 N8 O16 -","2","1","","Manna, Paulami; Das, Samar K.","Perceptive Approach in Assessing Rigidity versus Flexibility in the Construction of Diverse Metal‒Organic Coordination Networks: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","3","1407","","10.1021/cg501787m","","","0.71073","MoKα","","0.0638","0.0595","","","0.1328","0.1351","","","","","","1.211","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512691","9.8389","0.0019","13.094","0.003","17.479","0.003","68.463","0.003","75.262","0.003","80.671","0.003","2019.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 N3 O7 S2 -","- C43 H45 N3 O7 S2 -","- C86 H90 N6 O14 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0551","0.0437","","","0.1078","0.1168","","","","","","1.026","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512692","10.0725","0.0007","12.7166","0.0008","17.3538","0.0011","111.334","0.001","96.367","0.001","101.77","0.001","1984.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H39 Br2 N3 O5 S2 -","- C41 H39 Br2 N3 O5 S2 -","- C82 H78 Br4 N6 O10 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.043","0.0356","","","0.093","0.0974","","","","","","1.052","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512693","27.226","0.004","20.765","0.003","31.191","0.004","90","","90","","90","","17634","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C664 H600 Cl24 N80 O128 S32 -","16","2","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.1251","0.0782","","","0.2096","0.2351","","","","","","1.025","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512694","9.986","0.003","54.639","0.016","31.711","0.01","90","","99.004","0.006","90","","17089","9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H47.5 F12 N1.5 O4 S2 -","- C30.5 H19.5 F12 N1.5 O4 S2 -","- C488 H312 F192 N24 O64 S32 -","16","2","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.2161","0.0839","","","0.1849","0.2269","","","","","","0.867","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512695","11.648","0.0018","13.432","0.002","15.472","0.002","105.643","0.002","109.855","0.002","98.858","0.003","2110.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 B F4 N3 O4 S2 -","- C43 H44 B F4 N3 O4 S2 -","- C86 H88 B2 F8 N6 O8 S4 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0604","0.0514","","","0.1367","0.1456","","","","","","1.025","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512696","14.727","0.004","15.082","0.004","21.992","0.006","83.367","0.005","89.98","0.005","84.521","0.005","4830","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H114 N6 O19 S6 -","- C98 H114 N6 O19 S6 -","- C196 H228 N12 O38 S12 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.2375","0.0931","","","0.1682","0.2351","","","","","","1.002","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512697","11.748","0.005","12.75","0.005","13.028","0.006","97.514","0.009","95.518","0.01","94.73","0.008","1916.8","1.4","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 N2 O4 S3 -","- C42 H42 N2 O4 S3 -","- C84 H84 N4 O8 S6 -","2","1","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.254","0.1223","","","0.2586","0.3246","","","","","","1.056","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512698","7.96","0.003","10.86","0.004","12.852","0.004","101.699","0.007","97.68","0.007","95.72","0.006","1068.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N4 O4 S2 -","- C48 H46 N4 O4 S2 -","- C48 H46 N4 O4 S2 -","1","0.5","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.0985","0.0611","","","0.1297","0.1538","","","","","","1.041","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512699","6.3546","0.0005","8.189","0.0006","11.3041","0.0009","77.928","0.002","82.174","0.003","89.557","0.002","569.74","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Au N4 S2 -","- C7 H9 Au N4 S2 -","- C14 H18 Au2 N8 S4 -","2","1","","Aoyagi, Noboru; Shinha, Yusuke; Ikeda-Ohno, Atsushi; Haga, Yoshinori; Shimojo, Kojiro; Brooks, Neil R.; Izuoka, Akira; Naganawa, Hirochika; Kimura, Takaumi; Binnemans, Koen","Photophysical Property ofcatena-Bis(thiocyanato)aurate(I) Complexes in Ionic Liquids","Crystal Growth & Design","2015","15","3","1422","","10.1021/cg501792m","","","0.71075","MoKα","","","0.0481","","","","0.1094","","","","","","1.499","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512700","6.3317","0.0006","8.1709","0.0008","11.3131","0.0009","77.949","0.003","82.181","0.002","89.668","0.003","566.92","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Au N4 S2 -","- C7 H9 Au N4 S2 -","- C14 H18 Au2 N8 S4 -","2","1","","Aoyagi, Noboru; Shinha, Yusuke; Ikeda-Ohno, Atsushi; Haga, Yoshinori; Shimojo, Kojiro; Brooks, Neil R.; Izuoka, Akira; Naganawa, Hirochika; Kimura, Takaumi; Binnemans, Koen","Photophysical Property ofcatena-Bis(thiocyanato)aurate(I) Complexes in Ionic Liquids","Crystal Growth & Design","2015","15","3","1422","","10.1021/cg501792m","","","0.71075","MoKα","","0.0933","0.0534","","","0.1271","0.1687","","","","","","0.89","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512701","54.076","0.004","15.3088","0.0006","16.0309","0.0006","90","","90","","90","","13271","1.2","100","","100","","","","","","","","","5","C m c 21","C 2c -2","36","Compound 3","[Me2NH2][Me4N]2[Zn4(5-HIPA)2(H-5-HIPA)2.5].3DMF","","- C46 H45.5 N3 O22.5 Zn4 -","- C46 H45.5 N3 O22.5 Zn4 -","- C368 H364 N24 O180 Zn32 -","8","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.2127","0.106","","","0.1868","0.2257","","","","","","0.969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512702","14.3288","0.0009","13.2643","0.0008","14.3563","0.001","90","","91.296","0.006","90","","2727.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridine","","","- C20 H22 N2 O10 Zn2 -","- C20 H22 N2 O10 Zn2 -","- C80 H88 N8 O40 Zn8 -","4","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.0639","0.0631","","","0.1706","0.1715","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512703","16.808","0.003","12.964","0.003","14.513","0.003","90","","108.46","0.03","90","","2999.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 4","","","- C20 H22 N2 O10 Zn2 -","- C20 H22 N2 O10 Zn2 -","- C80 H88 N8 O40 Zn8 -","4","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71073","MoKα","","0.0624","0.0577","","","0.1647","0.1689","","","","","","1.088","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512704","23.6519","0.0017","13.0546","0.0009","26.462","0.0019","90","","115.424","0.003","90","","7379.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N O11 Zn2 -","- C18 H14 N O11 Zn2 -","- C144 H112 N8 O88 Zn16 -","8","1","","Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.","Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate","Crystal Growth & Design","2015","15","3","1452","","10.1021/cg501808y","","","0.71075","MoKα","","0.1628","0.0993","","","0.2577","0.2899","","","","","","1.038","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512705","7.1529","0.0009","9.578","0.0012","10.6022","0.0014","111.166","0.001","105.862","0.002","90.91","0.002","646.23","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","coronene-(MeO)2TCNQ","","","- C38 H20 N4 O2 -","- C38 H20 N4 O2 -","- C38 H20 N4 O2 -","1","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0628","0.0395","","","0.0981","0.1075","","","","","","0.99","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512706","7.1218","0.0005","9.5682","0.0007","18.7393","0.0013","90","","92.752","0.001","90","","1275.48","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coronene-Me2TCNQ","","","- C38 H20 N4 -","- C38 H20 N4 -","- C76 H40 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0468","0.0409","","","0.1089","0.1134","","","","","","1.054","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512707","7.0039","0.0006","8.6312","0.0008","11.3183","0.001","109.504","0.001","104.794","0.001","90.131","0.001","620.69","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","coronene-F4TCNQ","","","- C36 H12 F4 N4 -","- C36 H12 F4 N4 -","- C36 H12 F4 N4 -","1","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.0374","0.0309","","","0.0864","0.0911","","","","","","1.066","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512708","10.8738","0.001","7.1375","0.0007","15.7691","0.0015","90","","106.534","0.001","90","","1173.26","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","coronene-TCNQ","","","- C36 H16 N4 -","- C36 H16 N4 -","- C72 H32 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Saito, Gunzi","Structure‒Property Relationship of Supramolecular Rotators of Coronene in Charge-Transfer Solids","Crystal Growth & Design","2015","15","3","1389","","10.1021/cg5017774","","","0.71073","MoKα","","0.044","0.0342","","","0.0883","0.0938","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512709","20.013","0.004","14.177","0.003","33.261","0.005","90","","117.343","0.009","90","","8383","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 N6 O8 Zn2 -","- C60 H42 N6 O8 Zn2 -","- C240 H168 N24 O32 Zn8 -","4","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.1584","0.0885","","","0.2268","0.2447","","","","","","0.947","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512710","11.7865","0.0019","16.716","0.003","52.892","0.008","90","","90","","90","","10421","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H42 Cd3 N5 O14 -","- C52 H42 Cd3 N5 O14 -","- C416 H336 Cd24 N40 O112 -","8","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.078","0.0689","","","0.1505","0.1549","","","","","","1.046","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512711","9.0216","0.0007","12.2722","0.0009","12.8688","0.001","83.241","0.001","70.771","0.001","75.626","0.002","1302.16","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N3 O4 Zn -","- C29 H21 N3 O4 Zn -","- C58 H42 N6 O8 Zn2 -","2","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.0441","0.0341","","","0.0826","0.0857","","","","","","1.041","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512712","33.445","0.004","18.132","0.002","25.069","0.003","90","","97.668","0.002","90","","15067","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H53 F12 N9 O13 Zn3 -","- C90 H53 F12 N9 O13 Zn3 -","- C720 H424 F96 N72 O104 Zn24 -","8","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.057","0.0426","","","0.1141","0.122","","","","","","1.064","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512713","11.7771","0.0005","18.4955","0.0007","25.375","0.0009","90","","105.146","0.002","90","","5335.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H34 Cd2 F8 N6 O8 -","- C60 H34 Cd2 F8 N6 O8 -","- C240 H136 Cd8 F32 N24 O32 -","4","1","","Wang, Zhong-Jie; Qin, Ling; Zhang, Xin; Chen, Jin-Xi; Zheng, He-Gen","Syntheses, Characterizations, Luminescent Properties, and Controlling Interpenetration of Five Metal‒Organic Frameworks Based on Bis(4-(pyridine-4-yl)phenyl)amine","Crystal Growth & Design","2015","15","3","1303","","10.1021/cg501708b","","","0.71073","MoKα","","0.0422","0.0338","","","0.0831","0.0863","","","","","","1.056","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512714","15.5077","0.0011","7.3367","0.0004","16.5357","0.001","90","","95.938","0.0016","90","","1871.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","<i>cis</i>Diiodidobis(8-aminoquinoline-κ^2^<i>N,N'</i>) cadmium(II)","","- C18 H16 Cd I2 N4 -","- C18 H16 Cd I2 N4 -","- C72 H64 Cd4 I8 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0338","0.0326","","","0.0876","0.0885","","","","","","1.061","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512715","8.0468","0.0008","10.9174","0.0011","23.914","0.003","90","","96.61","0.0013","90","","2086.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Br2 Mn N10 O2 -","- C45 H44 Br2 Mn N10 O2 -","- C90 H88 Br4 Mn2 N20 O4 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0736","0.0453","","","0.1014","0.1157","","","","","","1.022","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512716","15.35","0.003","7.2871","0.0015","16.305","0.003","90","","95.95","0.03","90","","1814","0.6","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 I2 Mn N4 -","- C18 H16 I2 Mn N4 -","- C72 H64 I8 Mn4 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0438","0.039","","","0.0993","0.1018","","","","","","1.077","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512717","8.9805","0.0007","12.9269","0.001","32.531","0.002","90","","90","","90","","3776.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19.75 Cl2 Cu N4 O2 -","- C18 H19.75 Cl2 Cu N4 O2 -","- C144 H158 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.1257","0.0674","","","0.1163","0.1278","","","","","","1.158","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512718","16.279","0.004","14.82","0.003","7.9174","0.0015","90","","91.875","0.008","90","","1909.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N6 O7 -","- C18 H18 Cu N6 O7 -","- C72 H72 Cu4 N24 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0886","0.0669","","","0.1795","0.1917","","","","","","1.085","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512719","8.4622","0.0007","14.4899","0.0013","32.093","0.003","90","","90","","90","","3935.1","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>Bis(thiocyananato-κ<i>N</i>)bis(8-aminoquinoline-κ^2^ <i>N,N'</i>)manganese(II)","","- C20 H16 Mn N6 S2 -","- C20 H16 Mn N6 S2 -","- C160 H128 Mn8 N48 S16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.051","0.036","","","0.0835","0.0936","","","","","","1.033","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512720","8.867","0.003","9.802","0.003","13.557","0.004","87.584","0.005","75.439","0.004","78.827","0.004","1118.8","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H2 F12 Hg3 S2 -","- C21 H2 F12 Hg3 S2 -","- C42 H4 F24 Hg6 S4 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0371","0.0276","","","0.0636","0.0677","","","","","","0.984","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512721","19.1438","0.0017","7.0883","0.0007","21.746","0.002","90","","115.736","0.001","90","","2658.2","0.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H4 F12 Hg3 S4 -","- C24 H4 F12 Hg3 S4 -","- C96 H16 F48 Hg12 S16 -","4","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0337","0.0298","","","0.0726","0.0742","","","","","","1.082","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512722","7.292","0.002","42.819","0.014","17.234","0.006","90","","93.743","0.004","90","","5370","3","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H4 F12 Hg3 S4 -","- C24 H4 F12 Hg3 S4 -","- C192 H32 F96 Hg24 S32 -","8","2","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.1563","0.0945","","","0.1738","0.1886","","","","","","1.195","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512723","7.476","0.002","13.463","0.004","16.074","0.005","76.545","0.004","83.377","0.004","82.796","0.004","1554.8","0.8","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H8 Cl2 F12 Hg3 S4 -","- C26 H8 Cl2 F12 Hg3 S4 -","- C52 H16 Cl4 F24 Hg6 S8 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0952","0.0565","","","0.0884","0.1001","","","","","","0.9912","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512724","7.686","0.003","11.779","0.004","17.472","0.006","83.635","0.004","83.177","0.004","85.072","0.004","1556.7","1","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F12 Hg3 Se4 -","- C28 H12 F12 Hg3 Se4 -","- C56 H24 F24 Hg6 Se8 -","2","1","","Castañeda, Raúl; Yakovenko, Andrey A.; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Structural Diversity in the Complexes of Trimeric Perfluoro-o-phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene","Crystal Growth & Design","2015","15","3","1022","","10.1021/cg501594t","","","0.71073","MoKα","","0.0571","0.0366","","","0.0729","0.0782","","","","","","0.939","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512725","27.313","0.018","22.017","0.014","15.836","0.011","90","","103.218","0.01","90","","9271","11","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H45 Cu5 N9 O20 -","- C36 H45 Cu5 N9 O20 -","- C144 H180 Cu20 N36 O80 -","4","0.5","","Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu","End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties","Crystal Growth & Design","2015","15","3","1526","","10.1021/acs.cgd.5b00018","","","0.71073","MoKα","","0.1587","0.0841","","","0.2728","0.2941","","","","","","1.012","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512726","22.741","0.002","22.741","0.002","30.38","0.003","90","","90","","120","","13606","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C39 H61 Cu4.5 N11 O21 -","- C39 H47 Cu4.5 N11 O21 -","- C234 H282 Cu27 N66 O126 -","6","1","","Deng, Mingli; Yang, Pan; Liu, Xiaofeng; Xia, Bing; Chen, Zhenxia; Ling, Yun; Weng, Linhong; Zhou, Yaming; Sun, Jinyu","End-End Connection Pattern of Trinuclear-Triangular Copper Cluster for Construction of Two Metal‒Organic Frameworks: Syntheses, Structures, Magnetic and Gas Adsorption Properties","Crystal Growth & Design","2015","15","3","1526","","10.1021/acs.cgd.5b00018","","","0.71073","MoKα","","0.1307","0.1025","","","0.2798","0.3073","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512727","13.0503","0.0004","11.4707","0.0003","18.8224","0.0005","90","","91.808","0.001","90","","2816.24","0.14","149","2","149","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 O6 -","- C36 H28 O6 -","- C144 H112 O24 -","4","1","","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity","Crystal Growth & Design","2015","15","3","1226","","10.1021/cg501620g","","","0.71073","MoKα","","0.0509","0.0412","","","0.1163","0.1268","","","","","","1.03","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512728","11.8212","0.0009","7.5692","0.0006","30.657","0.002","90","","90","","90","","2743.1","0.4","145","2","145","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity","Crystal Growth & Design","2015","15","3","1226","","10.1021/cg501620g","","","0.71073","MoKα","","0.1154","0.0931","","","0.1959","0.2074","","","","","","1.154","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512729","20.9435","0.0003","12.7617","0.0002","23.7998","0.0004","90","","90","","90","","6361.08","0.17","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H28 Mn N10 S2 -","- C30 H28 Mn N10 S2 -","- C240 H224 Mn8 N80 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0555","0.0402","","","0.0957","0.1047","","","","","","1.053","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512730","13.0536","0.0002","8.8996","0.00016","13.0916","0.00019","90","","97.418","0.0015","90","","1508.15","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Mn N10 O2 S2 -","- C28 H24 Mn N10 O2 S2 -","- C56 H48 Mn2 N20 O4 S4 -","2","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","1.54184","CuKα","","0.0302","0.0283","","","0.0691","0.0707","","","","","","0.951","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512731","11.045","0.002","19.751","0.004","9.314","0.0018","90","","95.508","0.01","90","","2022.5","0.7","170","2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Mn N14 O2 S2 -","- C36 H36 Mn N14 O2 S2 -","- C72 H72 Mn2 N28 O4 S4 -","2","0.5","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MOKα","","0.0454","0.0344","","","0.0887","0.0959","","","","","","1.074","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512732","7.4226","0.0014","10.1016","0.0019","14.561","0.003","100.639","0.009","95.29","0.009","92.487","0.01","1066.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Mn N6 O3 S2 -","- C17 H19 Mn N6 O3 S2 -","- C34 H38 Mn2 N12 O6 S4 -","2","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0487","0.0407","","","0.1067","0.1127","","","","","","1.018","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512733","8.788","0.005","24.442","0.013","9.41","0.005","90","","90.151","0.007","90","","2021.2","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Mn N14 O2 S2 -","- C34 H32 Mn N14 O2 S2 -","- C68 H64 Mn2 N28 O4 S4 -","2","0.5","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71075","MoKα","","0.0485","0.0447","","","0.1163","0.119","","","","","","1.084","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512734","7.5717","0.0002","21.0577","0.0005","36.3949","0.0009","90","","90","","90","","5802.9","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Mn N10 O3 S2 -","- C26 H22 Mn N10 O3 S2 -","- C208 H176 Mn8 N80 O24 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0772","0.0435","","","0.0981","0.1105","","","","","","1.018","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512735","12.4202","0.0006","13.843","0.0006","13.9603","0.0008","90","","115.446","0.006","90","","2167.4","0.2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 Cu2 N12 O10 -","- C42 H40 Cu2 N12 O10 -","- C84 H80 Cu4 N24 O20 -","2","1","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","","0.71073","MoKα","","0.0913","0.0602","","","0.1098","0.1228","","","","","","1.015","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512736","11.3128","0.0016","11.3128","0.0016","34.111","0.007","90","","90","","120","","3780.6","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H26 Cu N6 O9 -","- C20 H26 Cu N6 O9 -","- C120 H156 Cu6 N36 O54 -","6","0.5","","Guedes, Guilherme P.; Santos, Igor F.; Mercante, Luiza A.; Speziali, Nivaldo L.; Resende, Jackson A. L. C.; Bernardino, Alice M. R.; Andruh, Marius; Vaz, Maria G. F.","A New Quartz-like Metal‒Organic Framework Constructed from a Versatile Pyrazole-Based Spacer","Crystal Growth & Design","2015","15","3","1027","","10.1021/cg5018328","","x-ray","1.54184","CuKα","","0.0267","0.025","","","0.0668","0.068","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512737","8.2516","0.0003","8.6933","0.0002","8.9277","0.0003","98.4","0.003","113.166","0.003","92.397","0.002","578.98","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Br4 N2 S -","- C7 H6 Br4 N2 S -","- C14 H12 Br8 N4 S2 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","1.54184","CuKα","","0.0222","0.0221","","","0.0561","0.0562","","","","","","1.16","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512738","3.98635","0.00009","9.2709","0.0002","25.0901","0.0006","90","","90","","90","","927.26","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Br2 N S2 -","- C7 H5 Br2 N S2 -","- C28 H20 Br8 N4 S8 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","1.54184","CuKα","","0.0246","0.0237","","","0.0588","0.0596","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512739","8.5309","0.0005","11.7926","0.0007","13.1939","0.0008","69.389","0.002","81.045","0.002","83.723","0.002","1225.09","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.5 H8 Br2 Cl N S2 -","- C8.5 H8 Br2 Cl N S2 -","- C34 H32 Br8 Cl4 N4 S8 -","4","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","0.71073","MoKα","","0.0355","0.0282","","","0.0717","0.0745","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512740","14.522","0.007","7.817","0.002","10.619","0.013","90","","99.54","0.08","90","","1188.8","1.6","296","2","296","2","230000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.2783","0.0833","","","0.1472","0.2189","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512741","14.309","0.005","7.686","0.003","10.47","0.03","90","","99.85","0.09","90","","1135","3","296","2","296","2","600000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.197","0.0817","","","0.192","0.2659","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512742","14.205","0.004","7.6697","0.0019","10.318","0.018","90","","100.09","0.06","90","","1107","2","296","2","296","2","800000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3808","0.1066","","","0.2426","0.3805","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512743","14.196","0.005","7.638","0.003","10.32","0.02","90","","100.13","0.08","90","","1102","2","296","2","296","2","880000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1782","0.083","","","0.2124","0.2736","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512744","13.977","0.004","7.536","0.002","10.12","0.02","90","","100.3","0.08","90","","1049","2","296","2","296","2","1700000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1946","0.0995","","","0.2357","0.3053","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512745","13.9958","0.0017","7.514","0.0012","10.067","0.008","90","","100.41","0.03","90","","1041.3","0.9","296","2","296","2","1890000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.1908","0.1904","","","0.2196","0.2845","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512746","13.905","0.003","7.4574","0.0018","10.007","0.012","90","","100.21","0.05","90","","1021.2","1.3","296","2","296","2","2320000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3235","0.1193","","","0.2684","0.3759","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512747","13.865","0.002","7.4064","0.0015","9.977","0.01","90","","100.27","0.04","90","","1008.1","1","296","2","296","2","2650000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.3194","0.1185","","","0.2768","0.3898","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512748","13.779","0.003","7.324","0.0017","9.844","0.016","90","","100.28","0.06","90","","977.5","1.6","296","2","296","2","3460000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1915","0.1003","","","0.2351","0.2917","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512749","13.7397","0.0012","7.2685","0.0007","9.804","0.003","90","","100.195","0.007","90","","963.6","0.3","296","2","296","2","4000000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.56085","AgKα","","0.1693","0.1118","","","0.2593","0.3087","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512750","14.4847","0.0017","7.8321","0.001","10.4907","0.0014","90","","99.743","0.013","90","","1173","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","0.71073","MoKα","","0.0471","0.0424","","","0.1105","0.1149","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512751","14.5144","0.0005","7.8429","0.0002","10.5297","0.0004","90","","99.609","0.004","90","","1181.83","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0497","0.0451","","","0.1212","0.1254","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512752","14.5609","0.0005","7.857","0.0002","10.5867","0.0004","90","","99.563","0.004","90","","1194.34","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.053","0.0464","","","0.1256","0.1318","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512753","14.605","0.0006","7.8721","0.0003","10.6507","0.0004","90","","99.525","0.004","90","","1207.65","0.08","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0589","0.0484","","","0.1283","0.1371","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512754","14.6737","0.0016","7.895","0.0006","10.7345","0.0017","90","","99.541","0.013","90","","1226.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid","(R,S)-ibuprofen","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej","High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen","Crystal Growth & Design","2015","15","3","1512","","10.1021/cg5018888","","","1.54178","CuKα","","0.0698","0.0536","","","0.1374","0.1553","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512755","9.3767","0.0004","10.8827","0.0005","12.9208","0.0005","88.646","0.003","86.652","0.003","89.268","0.004","1315.78","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Cl12 N6 O20 U2 -","- C36 H22 Cl12 N6 O20 U2 -","- C36 H22 Cl12 N6 O20 U2 -","1","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.0364","0.0286","","","0.0551","0.0588","","","","","","1.008","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512756","9.5038","0.0005","11.1204","0.0006","13.0924","0.0006","89.259","0.004","86.419","0.004","88.384","0.005","1380.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Br12 N6 O20 U2 -","- C36 H22 Br12 N6 O20 U2 -","- C36 H22 Br12 N6 O20 U2 -","1","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.0305","0.0277","","","0.0661","0.068","","","","","","1.066","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512757","10.1711","0.0003","14.2894","0.0003","10.236","0.0003","90","","113.25","0.003","90","","1366.88","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O8 U -","- C12 H8 N2 O8 U -","- C48 H32 N8 O32 U4 -","4","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.034","0.0222","","","0.0589","0.0851","","","","","","1.046","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512758","7.737","0.0004","8.7775","0.0005","11.8091","0.0007","103.284","0.005","98.966","0.005","114.334","0.005","682.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 N O10 U -","- C8 H11 N O10 U -","- C16 H22 N2 O20 U2 -","2","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0606","0.0477","","","0.1098","0.1459","","","","","","1.136","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512759","7.2279","0.0018","7.615","0.003","13.593","0.003","90","","91.58","0.02","90","","747.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","1.54184","CuKα","","0.1247","0.1018","","","0.2877","0.3295","","","","","","1.177","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512760","10.8457","0.0004","10.4334","0.0003","14.6939","0.0004","90","","112.159","0.004","90","","1539.92","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C48 H24 Cl16 N8 O16 -","8","1","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0398","0.0347","","","0.0855","0.0892","","","","","","1.1","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512761","8.2621","0.0006","19.378","0.0015","21.87","0.02","90","","90","","90","","3501","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Cl4 N2 O5 U -","- C11 H6 Cl4 N2 O5 U -","- C88 H48 Cl32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0557","0.0445","","","0.1271","0.153","","","","","","1.183","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512762","8.3785","0.0003","19.437","0.0008","22.0629","0.001","90","","90","","90","","3593","0.3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C11 H6 Br4 N2 O5 U -","- C11 H6 Br4 N2 O5 U -","- C88 H48 Br32 N16 O40 U8 -","8","0.5","","Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun","Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution","Crystal Growth & Design","2015","15","3","1395","","10.1021/cg501783d","","","0.71073","MoKα","","0.0355","0.0285","","","0.0643","0.0682","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512763","24.642","0.011","11.524","0.005","7.871","0.004","90","","98.238","0.01","90","","2212.1","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.1225","0.0626","","","0.1506","0.183","","","","","","0.979","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512764","24.794","0.005","11.355","0.002","7.7615","0.0014","90","","97.727","0.002","90","","2165.3","0.7","151","2","151","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.0604","0.0517","","","0.1305","0.1374","","","","","","1.029","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512765","24.355","0.006","11.626","0.003","7.783","0.002","90","","98.371","0.003","90","","2180.3","1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Samigullina, Aida I.; Gubaidullin, Aidar T.","4-Benzoylamino-3-hydroxybutyric Acid, Historically First “Anomalous Racemate”: Reinvestigation","Crystal Growth & Design","2015","15","3","1362","","10.1021/cg5017615","","","0.71073","MoKα","","0.0367","0.0332","","","0.0778","0.0802","","","","","","1.032","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512766","9.9813","0.0004","22.0356","0.0008","8.7097","0.0003","90","","108.094","0.001","90","","1820.91","0.12","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F4 N O2 -","- C23 H13 F4 N O2 -","- C92 H52 F16 N4 O8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0365","0.0318","","","0.0848","0.0892","","","","","","1.035","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512767","5.9634","0.0016","8.768","0.002","11.076","0.003","99.846","0.003","105.527","0.003","101.235","0.004","531.8","0.2","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","4-[(2,3,5,6-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C26 H10 F8 N2 -","2","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0706","0.0409","","","0.1017","0.1194","","","","","","1.019","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512768","5.9023","0.0011","9.8718","0.0019","10.399","0.002","63.113","0.003","74.909","0.003","77.066","0.003","517.8","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[(2,3,4,5-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C26 H10 F8 N2 -","2","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0396","0.0344","","","0.0953","0.0992","","","","","","1.071","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512769","13.8283","0.0019","20.692","0.004","7.4577","0.001","90","","121.774","0.002","90","","1814.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cocrystal between 4H,4'H-octafluorobiphenyl and 4,4'-bipyridine","","- C22 H10 F8 N2 -","- C22 H10 F8 N2 -","- C88 H40 F32 N8 -","4","0.5","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0676","0.0475","","","0.132","0.1437","","","","","","1.058","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512770","5.97","0.002","21.499","0.008","8.325","0.003","90","","101.819","0.005","90","","1045.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2,3,4,5-tetrafluorophenyl)ethynyl]pyridine","","- C13 H5 F4 N -","- C13 H5 F4 N -","- C52 H20 F16 N4 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0808","0.05","","","0.1252","0.1449","","","","","","1.039","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512771","13.527","0.003","23.296","0.007","7.5729","0.0018","90","","123.553","0.003","90","","1988.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cocrystal between 4H,4'H-octafluorobiphenyl and 1,2-bis(4'-pyridyl)ethyne","","- C24 H10 F8 N2 -","- C24 H10 F8 N2 -","- C96 H40 F32 N8 -","4","0.5","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0828","0.0582","","","0.1823","0.1975","","","","","","1.126","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512772","9.9218","0.0009","22.347","0.002","8.706","0.0008","90","","108.145","0.001","90","","1834.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 F3 N O2 -","- C23 H14 F3 N O2 -","- C92 H56 F12 N4 O8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0863","0.067","","","0.181","0.1965","","","","","","1.074","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512773","13.59","0.0006","23.0149","0.001","7.498","0.0003","90","","122.641","0.001","90","","1974.79","0.15","99","2","99","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Cocrystal between 4H,4'H-octafluorobiphenyl and trans-1,2-bis(4-pyridyl)ethene","","- C24 H12 F8 N2 -","- C24 H12 F8 N2 -","- C96 H48 F32 N8 -","4","1","","Bosch, Eric; Bowling, Nathan P.; Darko, Jeffery","The Power of Nonconventional Phenyl C‒H···N Hydrogen Bonds: Supportive Crystal-Packing Force and Dominant Supramolecular Engineering Force","Crystal Growth & Design","2015","15","4","1634","","10.1021/cg5014076","","","0.71073","MoKα","","0.0323","0.0285","","","0.0738","0.0762","","","","","","1.028","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512774","12.744","0.0004","10.6327","0.0003","15.194","0.0005","79.084","0.003","91.039","0.003","112.735","0.003","1861.06","0.11","105","2","105","2","","","","","","","","3","P -1","-P 1","2","1-ph-105K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0616","0.0508","","","0.1484","0.1561","","","","","","1.083","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512775","12.7433","0.0003","10.6348","0.0004","15.201","0.0005","79.06","0.003","91.015","0.002","112.618","0.003","1863.6","0.11","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-ph-120K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0671","0.0533","","","0.1614","0.1735","","","","","","1.137","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512776","12.7476","0.0003","10.6387","0.0004","15.2324","0.0005","79.015","0.003","90.883","0.002","112.347","0.003","1871.93","0.11","150","2","2150","2","","","","","","","","3","P -1","-P 1","2","1-ph-150K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0637","0.0514","","","0.1547","0.1648","","","","","","1.077","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512777","12.7551","0.0005","10.6455","0.0004","15.2732","0.0006","78.946","0.003","90.609","0.003","111.831","0.004","1885.22","0.14","195","2","195","2","","","","","","","","3","P -1","-P 1","2","1-ph-195K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C42 H49 O14 -","- C42 H40 O6 -","- C84 H80 O12 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1003","0.0685","","","0.1939","0.2137","","","","","","1.079","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512778","6.3897","0.0005","10.6703","0.0007","15.2858","0.0007","78.915","0.005","89.737","0.005","110.743","0.01","953.44","0.13","241","2","241","2","","","","","","","","3","P -1","-P 1","2","1-ph-241K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane.phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C42 H40 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0738","0.0576","","","0.1769","0.1926","","","","","","1.073","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512779","6.3901","0.0008","10.7089","0.0013","15.3355","0.0014","78.851","0.01","88.9","0.009","109.848","0.016","964.4","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-ph-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, phenol","","- C48 H46 O7 -","- C42 H40 O6 -","- C42 H40 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0766","0.0582","","","0.1841","0.2001","","","","","","1.086","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512780","10.0427","0.0002","9.9362","0.0002","17.0473","0.0003","90","","89.858","0.002","90","","1701.08","0.06","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-115K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.552 O6 -","- C88 H87.104 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0413","0.0359","","","0.0872","0.0915","","","","","","1.051","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512781","10.0555","0.0002","9.9631","0.0002","17.0629","0.0004","90","","89.896","0.002","90","","1709.43","0.06","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-150K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.534 O6.002 -","- C88 H87.068 O12.004 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0451","0.0377","","","0.0922","0.098","","","","","","1.035","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512782","10.0719","0.0004","9.9812","0.0003","17.0625","0.0005","90","","89.976","0.003","90","","1715.29","0.1","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-185K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.544 O6 -","- C88 H87.088 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0612","0.0432","","","0.0962","0.1044","","","","","","1.041","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512783","10.0834","0.0003","10.0094","0.0003","17.0724","0.0004","90","","89.995","0.002","90","","1723.1","0.08","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-220K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.504 O6 -","- C88 H87.008 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0533","0.0395","","","0.0939","0.1013","","","","","","1.033","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512784","10.0929","0.0003","10.0317","0.0003","17.0959","0.0005","90","","90.04","0.003","90","","1730.94","0.09","255","2","255","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-255K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.448 O6 -","- C88 H86.896 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0496","0.0393","","","0.0953","0.1038","","","","","","1.033","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512785","10.1086","0.0003","10.0637","0.0003","17.1197","0.0006","90","","90.023","0.004","90","","1741.59","0.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-oc-2D-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C44 H43.374 O6 -","- C88 H86.748 O12 -","2","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0586","0.0434","","","0.1017","0.1129","","","","","","1.026","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512786","6.1632","0.0003","10.7711","0.0005","15.6073","0.0008","99.099","0.004","98.303","0.004","101.279","0.004","986.7","0.09","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-mc-120K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0621","0.0527","","","0.1598","0.1667","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512787","6.1775","0.0003","10.8049","0.0006","15.6264","0.0009","99.136","0.005","98.214","0.005","101.257","0.005","993.56","0.1","165","2","165","2","","","","","","","","3","P -1","-P 1","2","1-mc-165K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0686","0.0546","","","0.1662","0.1785","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512788","6.1919","0.0004","10.8293","0.0006","15.6534","0.001","99.198","0.005","98.123","0.005","101.221","0.005","1000.08","0.11","210","2","210","2","","","","","","","","3","P -1","-P 1","2","1-mc-210K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0731","0.0565","","","0.1783","0.1915","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512789","6.213","0.0004","10.8567","0.0006","15.6818","0.0009","99.23","0.005","98.051","0.005","101.221","0.005","1007.97","0.11","255","2","255","2","","","","","","","","3","P -1","-P 1","2","1-mc-255K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.079","0.0593","","","0.176","0.1899","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512790","6.2326","0.0003","10.8899","0.0007","15.7278","0.0011","99.286","0.005","97.955","0.005","101.21","0.005","1017.38","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-mc-298K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.3-methylphenol.ethylacetate","","- C48.9 H52 O7.7 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0852","0.0613","","","0.182","0.199","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512791","10.0301","0.001","10.2569","0.0012","10.8246","0.0017","112.504","0.013","117.532","0.013","95.44","0.009","860.7","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-120K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C43.104 H42.976 O5.872 -","- C43.104 H42.976 O5.872 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1124","0.0645","","","0.1381","0.1635","","","","","","1.024","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512792","10.0433","0.0008","10.306","0.001","10.8398","0.0011","112.454","0.009","117.403","0.009","95.683","0.007","867.4","0.2","165","2","165","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-165K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C43.076 H42.944 O5.868 -","- C43.076 H42.944 O5.868 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0797","0.0533","","","0.1204","0.1347","","","","","","1.037","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512793","10.0464","0.0009","10.3584","0.0011","10.8328","0.0012","112.492","0.01","117.244","0.01","95.864","0.008","871.7","0.2","210","2","210","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-210K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C42.922 H42.768 O5.846 -","- C42.922 H42.768 O5.846 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0915","0.0562","","","0.1286","0.1484","","","","","","1.036","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512794","10.0444","0.0006","10.4376","0.0008","10.8259","0.0008","112.518","0.007","117.072","0.007","96.24","0.005","876.59","0.16","255","2","210","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-255K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C41.732 H41.408 O5.676 -","- C41.732 H41.408 O5.676 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0979","0.068","","","0.1916","0.2152","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512795","10.04","0.0008","10.4946","0.0011","10.819","0.001","112.488","0.01","116.969","0.009","96.574","0.008","879.5","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-oc-1D-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane, 2-methylphenol","","- C44 H44 O6 -","- C41.172 H40.768 O5.596 -","- C41.172 H40.768 O5.596 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.1254","0.0852","","","0.2412","0.2794","","","","","","1.069","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512796","6.2587","0.0002","10.6139","0.0004","15.7308","0.0005","80.219","0.003","83.34","0.003","73.785","0.003","986.23","0.06","115","2","115","2","","","","","","","","3","P -1","-P 1","2","1-pc-115K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0465","0.0414","","","0.1172","0.1218","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512797","6.2709","0.0002","10.5996","0.0004","15.7476","0.0005","80.347","0.003","83.677","0.003","73.92","0.003","989.29","0.06","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1-pc-150K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0573","0.0488","","","0.1435","0.1503","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512798","6.2844","0.0002","10.5867","0.0004","15.7854","0.0005","80.554","0.003","84.113","0.003","74.179","0.003","994.88","0.06","185","2","185","2","","","","","","","","3","P -1","-P 1","2","1-pc-185K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0621","0.051","","","0.1506","0.1608","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512799","6.2958","0.0002","10.5688","0.0004","15.8183","0.0007","80.77","0.003","84.561","0.003","74.402","0.003","999.17","0.07","220","2","220","2","","","","","","","","3","P -1","-P 1","2","1-pc-220K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0671","0.0532","","","0.1609","0.1735","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512800","6.3095","0.0002","10.5564","0.0004","15.8575","0.0007","80.978","0.004","85.049","0.003","74.608","0.003","1004.61","0.07","255","2","255","2","","","","","","","","3","P -1","-P 1","2","1-pc-255K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0747","0.0575","","","0.1726","0.1878","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512801","6.326","0.0003","10.545","0.0005","15.9091","0.0006","81.21","0.003","85.722","0.003","74.966","0.004","1012.22","0.08","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-pc-298K","1,1,4,4,-tetrakis(4-hydroxyphenyl)cyclohexane.4-methylphenol.ethylacetate","","- C50.1 H52 O7.3 -","- C44 H44 O6 -","- C44 H44 O6 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0828","0.0581","","","0.172","0.1904","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512802","7.4245","0.0004","9.1185","0.0007","9.7082","0.0007","65.447","0.008","81.305","0.006","87.384","0.006","590.84","0.08","118","2","118","2","","","","","","","","3","P -1","-P 1","2","1-gf-118K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0502","0.0406","","","0.1007","0.1068","","","","","","1.059","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512803","7.433","0.0005","9.1346","0.0007","9.726","0.0007","65.509","0.008","81.163","0.006","87.357","0.006","593.71","0.08","154","2","154","2","","","","","","","","3","P -1","-P 1","2","1-gf-154K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0502","0.0394","","","0.0966","0.1024","","","","","","1.05","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512804","7.4305","0.0004","9.1357","0.0007","9.7242","0.0007","65.621","0.008","81.044","0.006","87.369","0.006","593.79","0.08","190","2","190","2","","","","","","","","3","P -1","-P 1","2","1-gf-190K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0529","0.0407","","","0.0985","0.1067","","","","","","1.041","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512805","7.4368","0.0005","9.1491","0.0007","9.7361","0.0008","65.702","0.008","80.946","0.006","87.395","0.006","596.1","0.09","226","2","226","2","","","","","","","","3","P -1","-P 1","2","1-gf-226K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0542","0.0411","","","0.0998","0.1086","","","","","","1.043","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512806","7.448","0.0005","9.1675","0.0008","9.7565","0.0008","65.783","0.008","80.844","0.006","87.403","0.006","599.66","0.09","262","2","262","2","","","","","","","","3","P -1","-P 1","2","1-gf-262K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0576","0.0433","","","0.1017","0.1102","","","","","","1.038","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512807","7.4471","0.0005","9.17","0.0007","9.7603","0.0008","65.866","0.008","80.746","0.006","87.396","0.006","600.2","0.09","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1-gf-298K","1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane","","- C30 H28 O4 -","- C30 H28 O4 -","- C30 H28 O4 -","1","0.5","","Saraswatula, Viswanadha G.; Saha, Binoy K.","Modulation of Thermal Expansion by Guests and Polymorphism in a Hydrogen Bonded Host","Crystal Growth & Design","2015","15","2","593","","10.1021/cg501178f","","","0.71073","MoKα","","0.0646","0.0442","","","0.1074","0.118","","","","","","1.056","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512808","20.603","0.003","8.7468","0.0015","9.7202","0.0016","90","","110.374","0.002","90","","1642.1","0.5","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H8 N4 O12 -","- C13.973 H8 N3.912 O12 -","- C55.892 H32 N15.648 O48 -","4","1","","Simon, Florent; Clevers, Simon; Gbabode, Gabin; Couvrat, Nicolas; Agasse-Peulon, Valérie; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Enhanced Second Harmonic Generation from an Organic Self-Assembled Eutectic Binary Mixture: A Case Study with 3-Nitrobenzoic and 3,5-Dinitrobenzoic Acids","Crystal Growth & Design","2015","15","2","946","","10.1021/cg5017565","","x-ray","0.71073","MoKα","","0.0403","0.0341","","","0.087","0.0934","","","","","","0.987","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512809","20.603","0.003","8.7468","0.0015","9.7202","0.0016","90","","110.374","0.002","90","","1642.1","0.5","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Simon, Florent; Clevers, Simon; Gbabode, Gabin; Couvrat, Nicolas; Agasse-Peulon, Valérie; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Enhanced Second Harmonic Generation from an Organic Self-Assembled Eutectic Binary Mixture: A Case Study with 3-Nitrobenzoic and 3,5-Dinitrobenzoic Acids","Crystal Growth & Design","2015","15","2","946","","10.1021/cg5017565","","x-ray","0.71073","MoKα","","0.0429","0.0376","","","0.1021","0.1068","","","","","","1.048","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512810","11.556","0.006","13.451","0.005","16.43","0.012","91","0.02","107","0.02","95.16","0.02","2430","2","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 Cu N2 -","- C6 H9 Cu N2 -","- C78 H117 Cu13 N26 -","13","6.5","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.1103","0.0751","","","0.1612","0.1879","","","","","","1.035","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512811","11.071","0.003","12.496","0.004","21.806","0.007","90","","92.817","0.006","90","","3013.1","1.6","303","2","303","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cu N2 -","- C6 H9 Cu N2 -","- C96 H144 Cu16 N32 -","16","4","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.0823","0.055","","","0.1133","0.1368","","","","","","1.03","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512812","22.204","0.007","22.204","0.007","22.204","0.007","90","","90","","90","","10947","6","303","2","303","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C8 H11 Cu N2 -","- C8.04 H11.04 Cu N2 -","- C385.92 H529.92 Cu48 N96 -","48","0.5","","Su, Yu-Jun; Cui, Yi-Lan; Wang, Yu; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Copper(I) 2-Isopropylimidazolate: Supramolecular Isomerism, Isomerization, and Luminescent Properties","Crystal Growth & Design","2015","15","4","1735","","10.1021/cg501737j","","","0.71073","MoKα","","0.0594","0.0522","","","0.1518","0.1653","","","","","","1.059","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512813","7.9202","0.0008","10.4378","0.0011","10.5434","0.0011","106.871","0.001","101.686","0.002","111.823","0.001","725.51","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim","5-(3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C28 H36 N8 O6 -","2","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","Tetramorphs of the Antibiotic Drug Trimethoprim: Characterization and Stability","Crystal Growth & Design","2015","15","4","1745","","10.1021/cg501772t","","","0.71073","MoKα","","0.0388","0.0374","","","0.1002","0.1017","","","","","","1.102","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512814","18.25","0.002","5.958","0.0007","12.7527","0.0014","90","","93.969","0.002","90","","1383.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim","5-(3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","Tetramorphs of the Antibiotic Drug Trimethoprim: Characterization and Stability","Crystal Growth & Design","2015","15","4","1745","","10.1021/cg501772t","","","0.71073","MoKα","","0.0428","0.0366","","","0.0939","0.0982","","","","","","1.045","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512815","9.2602","0.0007","20.7179","0.0014","14.2353","0.0011","90","","97.2","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(7PPh2NDPM1)2](BF4)2","","","- C58 H58 B2 F8 N2 Ni P4 -","- C58 H58 B2 F8 N2 Ni P4 -","- C116 H116 B4 F16 N4 Ni2 P8 -","2","0.5","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.085","0.0526","","","0.1277","0.1435","","","","","","1.019","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512816","10.3197","0.0002","13.2465","0.0003","19.7249","0.0005","94.91","0.001","101.046","0.001","109.554","0.001","2460.92","0.1","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C38 H44 B2 Cl4 F14 N2 Ni O4 P4 -","- C76 H88 B4 Cl8 F28 N4 Ni2 O8 P8 -","2","1","","Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.","Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo-Protonation Sites","ACS Catalysis","2015","5","4","2116","","10.1021/cs502132y","","","0.71073","MoKα","","0.1214","0.0725","","","0.1828","0.2114","","","","","","1.021","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512817","8.53","0.005","11.28","0.006","13.917","0.006","90","","112.75","0.03","90","","1234.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cu N O6 -","- C9 H5 Cu N O6 -","- C36 H20 Cu4 N4 O24 -","4","1","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.053","0.0455","","","0.1309","0.1383","","","","","","1.073","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512818","5.0687","0.0003","14.8844","0.0009","13.6533","0.0009","90","","94.173","0.001","90","","1027.34","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cu O9 -","- C7 H8 Cu O9 -","- C28 H32 Cu4 O36 -","4","1","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.0328","0.0249","","","0.0603","0.0637","","","","","","1.054","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512819","3.8359","0.0005","16.507","0.002","12.0057","0.0017","90","","92.883","0.002","90","","759.23","0.17","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 Ag2 O6 -","- C7 H2 Ag2 O6 -","- C28 H8 Ag8 O24 -","4","0.5","","Qu, Bo-Tao; Lai, Jian-Cheng; Liu, Sheng; Liu, Feng; Gao, Yan-Dong; You, Xiao-Zeng","Cu- and Ag-Based Metal‒Organic Frameworks with 4-Pyranone-2,6-dicarboxylic Acid: Syntheses, Crystal Structures, and Dielectric Properties","Crystal Growth & Design","2015","15","4","1707","","10.1021/cg501706t","","","0.71073","MoKα","","0.0263","0.0225","","","0.0531","0.0559","","","","","","1.121","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512820","10.0412","0.0005","14.4358","0.0007","11.1698","0.0006","90","","105.144","0.005","90","","1562.87","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridinium benzene-1,2,4,5-tetracarboxylate","","- C17 H14 N2 O6 S -","- C17 H14 N2 O6 S -","- C68 H56 N8 O24 S4 -","4","1","","Stevens, Joanna S.; Newton, Lauren K.; Jaye, Cherno; Muryn, Christopher A.; Fischer, Daniel A.; Schroeder, Sven L. M.","Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine‒Acid Salts and Co-crystals","Crystal Growth & Design","2015","15","4","1776","","10.1021/cg5018278","","","0.71073","MoKα","","0.0738","0.0509","","","0.1096","0.1262","","","","","","1.043","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512821","5.5761","0.0006","6.9604","0.0009","11.7649","0.0013","73.422","0.011","81.543","0.009","74.39","0.011","420.27","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine 1,2,3,4-butanetetracarboxylic acid","","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","- C18 H18 N2 O8 -","1","0.5","","Stevens, Joanna S.; Newton, Lauren K.; Jaye, Cherno; Muryn, Christopher A.; Fischer, Daniel A.; Schroeder, Sven L. M.","Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine‒Acid Salts and Co-crystals","Crystal Growth & Design","2015","15","4","1776","","10.1021/cg5018278","","","0.71073","MoKα","","0.0923","0.0595","","","0.1164","0.1409","","","","","","1.006","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512822","9.5673","0.0004","12.0514","0.0004","12.4802","0.0005","85.896","0.003","77.575","0.003","73.572","0.003","1347.8","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 B2 N2 O2 -","- C31 H32 B2 N2 O2 -","- C62 H64 B4 N4 O4 -","2","1","","Guo, Xi; Nelson, Amanda K.; Slebodnick, Carla; Santos, Webster L.","Regio- and Chemoselective Diboration of Allenes with Unsymmetrical Diboron: Formation of Vinyl and Allyl Boronic Acid Derivatives","ACS Catalysis","2015","","","2172","","10.1021/acscatal.5b00387","","x-ray","0.71073","MoKα","K-L~3~","0.0661","0.0485","","","0.1204","0.1344","","","","","","1.038","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512823","5.499","0.0004","9.3162","0.0009","21.4233","0.0013","90","","90","","90","","1097.51","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 Ag N3 O4 -","- C9 H8 Ag N3 O4 -","- C36 H32 Ag4 N12 O16 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0588","0.0403","","","0.0777","0.0885","","","","","","1.134","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512824","8.4116","0.0004","11.5062","0.0004","29.4257","0.0015","90","","94.295","0.004","90","","2840","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag2 F6 N4 O9 S2 -","- C20 H18 Ag2 F6 N4 O9 S2 -","- C80 H72 Ag8 F24 N16 O36 S8 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0994","0.0595","","","0.1334","0.1636","","","","","","1.018","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512825","10.9803","0.0018","15.495","0.003","12.646","0.002","90","","112.908","0.004","90","","1981.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Ag N5 O5 -","- C18 H16 Ag N5 O5 -","- C72 H64 Ag4 N20 O20 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.085","0.0386","","","0.0824","0.1032","","","","","","1.043","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512826","10.022","0.002","15.506","0.003","15.864","0.003","95.75","0.03","102.23","0.03","104.7","0.03","2299.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag F3 N4 O5 S -","- C19 H16 Ag F3 N4 O5 S -","- C76 H64 Ag4 F12 N16 O20 S4 -","4","2","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.1311","0.0733","","","0.1912","0.2387","","","","","","1.04","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512827","11.6416","0.0005","15.9955","0.0004","12.1545","0.0004","90","","113.13","0.005","90","","2081.39","0.15","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H16 Ag B F4 N4 O2 -","- C18 H16 Ag B F4 N4 O2 -","- C72 H64 Ag4 B4 F16 N16 O8 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0729","0.0441","","","0.1131","0.1277","","","","","","1.028","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512828","6.8566","0.0004","6.8566","0.0004","25.535","0.002","90","","90","","90","","1200.48","0.14","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","dibromoimidazole","4,5-dibromo-1H-imidazole","","- C3 H2 Br2 N2 -","- C3 H2 Br2 N2 -","- C24 H16 Br16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2279","0.0766","","","0.1659","0.2121","","","","","","0.888","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512829","6.8867","0.0004","6.8867","0.0004","28.275","0.003","90","","90","","90","","1340.99","0.18","296","","296.1","0.7","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","diiodoimidazole","4,5-diiodo-1H-imidazole","","- C3 H2 I2 N2 -","- C3 H2 I2 N2 -","- C24 H16 I16 N16 -","8","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2999","0.0803","","","0.1297","0.1923","","","","","","0.984","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512830","9.9264","0.0008","16.0761","0.0014","3.8161","0.0004","90","","90","","90","","608.96","0.1","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","trichloroimidazole","2,4,5-trichloro-1H-imidazole","","- C3 H Cl3 N2 -","- C3 H Cl3 N2 -","- C12 H4 Cl12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0393","0.0276","","","0.0495","0.0514","","","","","","1.067","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512831","10.1305","0.0005","16.7094","0.001","4.0483","0.0002","90","","90","","90","","685.27","0.06","296","0.1","296","0.1","","","","","","","","4","A m a 2","A 2 -2a","40","tribromoimidazole","2,4,5-tribromo-1H-imidazole","","- C3 H Br3 N2 -","- C3 H Br3 N2 -","- C12 H4 Br12 N8 -","4","0.5","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.0825","0.0401","","","0.0417","0.047","","","","","","1.001","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512832","9.4587","0.0004","22.0806","0.0007","14.0805","0.0005","90","","108.219","0.004","90","","2793.34","0.19","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","triiodoimidazole","2,4,5-triiodo-1H-imidazole","","- C3 H I3 N2 -","- C3 H I3 N2 -","- C36 H12 I36 N24 -","12","3","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.2209","0.071","","","0.1406","0.1983","","","","","","0.983","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512833","4.505","0.0002","19.0373","0.0007","14.2402","0.0008","90","","100.28","0.005","90","","1201.68","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-iodoimidazole:2,4-diiodoimidazole cocrystal","2-iodo-1H-imidazole:2,4-diiodo-1H-imidazole cocrystal","","- C6 H5 I3 N4 -","- C6 H5 I3 N4 -","- C24 H20 I12 N16 -","4","1","","Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej","Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles","Crystal Growth & Design","2015","15","4","1658","","10.1021/cg501561w","","","0.71073","MoKα","","0.094","0.0553","","","0.1395","0.1508","","","","","","1.095","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512834","6.8353","0.0016","32.355","0.004","16.896","0.0019","90","","90","","90","","3736.7","1.1","293","","293","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C52 H30 Fe3 N6 O10 -","- C52 H30 Fe3 N6 O10 -","- C104 H60 Fe6 N12 O20 -","2","0.125","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71069","MoKα","","0.1727","0.0942","","0.0783","0.0711","0.0698","","","","","","1.0607","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512835","16.677","0.0007","16.677","0.0007","16.5322","0.0013","90","","90","","90","","4598","0.5","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C56 H32 Fe3 N8 O8 -","- C56 H32 Fe3 N8 O8 -","- C112 H64 Fe6 N16 O16 -","2","0.0625","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71073","MoKα","","0.1386","0.102","","0.1591","0.1088","0.0997","","","","","","0.9257","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512836","16.6489","0.0009","16.6489","0.0009","25.194","0.003","90","","90","","90","","6983.4","1","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C34 H20 Fe1.5 N4 O4 -","- C34 H20 Fe1.5 N4 O4 -","- C136 H80 Fe6 N16 O16 -","4","0.125","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71073","MoKα","","0.1236","0.0851","","0.1125","0.0937","0.0932","","","","","","0.9906","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512837","7.4416","0.0005","24.8056","0.0016","30.314","0.002","90","","91.637","0.006","90","","5593.5","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H34 Cs Fe2 N5 O11 -","- C51 H34 Cs Fe2 N5 O11 -","- C204 H136 Cs4 Fe8 N20 O44 -","4","0.5","","Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas","Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity","Crystal Growth & Design","2015","15","4","1819","","10.1021/cg501855k","","","0.71069","MoKα","","0.1236","0.101","","0.1218","0.1042","0.1","","","","","","1.0806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512838","3.9543","0.0004","13.6225","0.0017","18.749","0.002","98.438","0.01","93.014","0.009","97.68","0.009","987.38","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tetramethyl 4,4'-(1,4-phenylene)bis(pyridine-2,6-dicarboxylate)","","- C9 H8 Br N O4 -","- C9 H8 Br N O4 -","- C36 H32 Br4 N4 O16 -","4","2","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.041","0.0325","","","0.0824","0.0871","","","","","","1.08","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512839","15.3907","0.0006","4.33847","0.00015","19.538","0.0008","90","","110.046","0.004","90","","1225.56","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diethyl 4-bromopyridine-2,6-dicarboxylate","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0229","0.0214","","","0.0568","0.0582","","","","","","1.052","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512840","11.4027","0.0004","4.51826","0.00015","27.8897","0.0011","90","","99.456","0.004","90","","1417.36","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Br N O4 -","- C13 H16 Br N O4 -","- C52 H64 Br4 N4 O16 -","4","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0376","0.0307","","","0.0765","0.0822","","","","","","1.05","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512841","6.658","0.0004","10.5799","0.0011","13.4275","0.0004","87.325","0.005","81.672","0.004","75.385","0.007","905.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O4 -","- C21 H16 Br1.002 N O4 -","- C42 H32 Br2.004 N2 O8 -","2","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.54184","CuKα","","0.098","0.0909","","","0.2754","0.2798","","","","","","1.071","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512842","6.7914","0.0004","10.0137","0.0007","10.9532","0.001","113.673","0.007","92.345","0.006","107.5","0.006","639.4","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","?tetraethyl 4,4'-(1,4-phenylene)bis(pyridine-2,6-dicarboxylate)","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","1","0.5","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.0392","0.0352","","","0.0921","0.0962","","","","","","1.04","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512843","9.6784","0.0006","10.093","0.0008","19.071","0.0019","88.546","0.007","85.079","0.007","82.955","0.006","1841.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N2 O8 -","- C48 H36 N2 O8 -","- C96 H72 N4 O16 -","2","1","","Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin","Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.","Crystal growth & design","2015","15","4","1697","1706","10.1021/cg5016934","","","1.5418","CuKα","","0.118","0.0604","","","0.107","0.132","","","","","","0.99","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512844","7.9254","0.0001","10.7452","0.0001","11.3467","0.0002","115.145","0.001","98.272","0.001","92.346","0.001","859.98","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O13 Pb2 -","- C36 H28 N4 O13 Pb2 -","- C36 H28 N4 O13 Pb2 -","1","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","1.54178","CuKα","","0.0429","0.0418","","","0.1","0.101","","","","","","1.07","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512845","19.713","0.0002","8.151","0.0001","9.7928","0.0001","90","","92.525","0.001","90","","1571.99","0.03","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O12 Pb3 -","- C12 H10 O12 Pb3 -","- C48 H40 O48 Pb12 -","4","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","1.54178","CuKα","","0.0549","0.0526","","","0.1231","0.1259","","","","","","1.055","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512846","9.955","0.01","21.03","0.004","7.925","0.009","90","","119.47","0.02","90","","1444","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Pb -","- C16 H8 N2 O4 Pb -","- C64 H32 N8 O16 Pb4 -","4","0.5","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","0.71073","MoKα","","0.0304","0.0286","","","0.0719","0.0732","","","","","","1.093","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512847","10.303","0.0002","25.2045","0.0004","10.3907","0.0001","90","","92.932","0.001","90","","2694.75","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H56 N6 O19 Pb3 -","- C51 H56 N6 O19 Pb3 -","- C102 H112 N12 O38 Pb6 -","2","1","","Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios","pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations","Crystal Growth & Design","2015","15","4","1666","","10.1021/cg501628d","","","0.71073","MoKα","","0.0341","0.0329","","","0.0808","0.0816","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512848","12.2113","0.0006","8.9422","0.0005","19.5495","0.0011","90","","90","","90","","2134.7","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0665","0.04","","","0.0715","0.0771","","","","","","1.039","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512849","13.9955","0.0008","5.0754","0.0003","15.783","0.0009","90","","110.209","0.004","90","","1052.09","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C44 H40 N8 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0822","0.0362","","","0.0538","0.0588","","","","","","1.019","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512850","4.1718","0.0002","10.9716","0.0004","14.1852","0.0005","88.491","0.003","86.54","0.003","81.432","0.002","640.76","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C30 H24 N4 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0549","0.038","","","0.0678","0.073","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512851","5.7381","0.0003","16.008","0.0007","28.0274","0.0013","90","","90","","90","","2574.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C120 H96 N16 O8 S8 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0595","0.046","","","0.1018","0.1112","","","","","","1.093","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512852","16.9742","0.0009","17.1155","0.0008","50.282","0.003","90","","90","","90","","14608","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H81 F12 Fe2 N9 O18 S4 -","- C58 H81 F12 Fe2 N9 O18 S4 -","- C464 H648 F96 Fe16 N72 O144 S32 -","8","2","","Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P.","EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes","ACS Catalysis","2015","5","5","2702","","10.1021/acscatal.5b00169","","x-ray","0.71073","MoKα","","0.0752","0.0644","","","0.1604","0.1657","","","","","","1.052","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512853","23.3983","0.0004","10.0341","0.0002","25.8291","0.0018","90","","108.545","0.008","90","","5749.3","0.5","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C272 H304 N16 O48 -","16","2","","Pfund, Laura Y.; Chamberlin, Brianna L.; Matzger, Adam J.","The Bioenhancer Piperine is at Least Trimorphic","Crystal Growth & Design","2015","15","5","2047","","10.1021/acs.cgd.5b00278","","","1.54178","CuKα","","0.0599","0.054","","","0.1496","0.1545","","","","","","1.12","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512854","9.4555","0.0015","12.671","0.002","13.141","0.002","89.372","0.007","83.024","0.008","70.301","0.007","1470.6","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 F3 N2 O4 S -","- C31 H27 F3 N2 O4 S -","- C62 H54 F6 N4 O8 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.2602","0.169","","","0.4462","0.4905","","","","","","1.644","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512855","10.6172","0.0005","12.7911","0.0007","14.6372","0.0007","102.793","0.004","106.868","0.003","96.17","0.004","1823.39","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H31 F3 N2 O3 S -","- C45 H31 F3 N2 O3 S -","- C90 H62 F6 N4 O6 S2 -","2","1","","Ghorai, Debasish; Choudhury, Joyanta","Rhodium(III)‒N-Heterocyclic Carbene-Driven Cascade C‒H Activation Catalysis","ACS Catalysis","2015","5","4","2692","","10.1021/acscatal.5b00243","","","0.71073","MoKα","","0.1744","0.1189","","","0.3443","0.4055","","","","","","1.337","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512856","12.301","0.005","5.883","0.002","8.098","0.003","90","","95.547","0.008","90","","583.3","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eisad02","","","- C12 H10 N2 Ni S2 -","- C12 H10 N2 Ni S2 -","- C24 H20 N4 Ni2 S4 -","2","0.5","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1129","0.0655","","","0.1376","0.1596","","","","","","1.036","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512857","8.3237","0.0012","11.0567","0.0016","15.928","0.002","92.197","0.003","99.883","0.003","94.145","0.003","1438.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","eisad03","","","- C20 H36 N2 Ni O4 S6 -","- C20 H36 N2 Ni O4 S6 -","- C40 H72 N4 Ni2 O8 S12 -","2","1","","Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard","Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water","ACS Catalysis","2015","5","3","1397","","10.1021/acscatal.5b00045","","","0.71073","MoKα","","0.1182","0.0839","","","0.2434","0.2689","","","","","","1.068","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512858","35.72","0.02","9.681","0.007","10.77","0.007","90","","94.95","0.05","90","","3710","4","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis(2-methyl-5-(4-hexyloxyphenyl)-3-thienyl)perfluorocyclopentene (beta-form)","","- C39 H42 F6 O2 S2 -","- C39 H42 F6 O2 S2 -","- C156 H168 F24 O8 S8 -","4","0.5","","Iwaihara, Chika; Kitagawa, Daichi; Kobatake, Seiya","Polymorphic Crystallization and Thermodynamic Phase Transition between the Polymorphs of a Photochromic Diarylethene","Crystal Growth & Design","2015","15","4","2017","","10.1021/acs.cgd.5b00196","","","0.71075","MoKα","","0.1281","0.0524","","","0.1328","0.1589","","","","","","0.842","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512859","39.469","0.005","12.6053","0.0017","11.4425","0.0015","90","","90","","90","","5692.9","1.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H31 Co N3 O8 S2 -","- C27 H18 Co N2 O5 S2 -","- C216 H144 Co8 N16 O40 S16 -","8","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0988","0.076","","","0.1575","0.1657","","","","","","1.114","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512860","19.7657","0.0008","19.7657","0.0008","11.8402","0.0009","90","","90","","120","","4006","0.4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C25 H25 Co N2 O8 S2 -","- C22 H18 Co N O7 S2 -","- C132 H108 Co6 N6 O42 S12 -","6","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.0477","0.0441","","","0.1195","0.122","","","","","","1.059","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512861","9.005","0.003","12.573","0.004","19.675","0.007","82.313","0.005","79.259","0.006","86.749","0.005","2167.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 Cd N2 O13 S4 -","- C40 H26 Cd N O9 S4 -","- C80 H52 Cd2 N2 O18 S8 -","2","1","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.089","0.0588","","","0.1539","0.165","","","","","","0.903","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512862","10.4489","0.0009","21.5552","0.0019","38.344","0.003","90","","90","","90","","8636.1","1.3","296","2","296","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C39 H35 Ba N O12 S4 -","- C34 H22 Ba O10 S4 -","- C272 H176 Ba8 O80 S32 -","8","0.5","","Chen, Bin; Lv, Zhong-Peng; Leong, Chanel F.; Zhao, Yue; D’Alessandro, Deanna M.; Zuo, Jing-Lin","Crystal Structures, Gas Adsorption, and Electrochemical Properties of Electroactive Coordination Polymers Based on the Tetrathiafulvalene-Tetrabenzoate Ligand","Crystal Growth & Design","2015","15","4","1861","","10.1021/acs.cgd.5b00014","","","0.71073","MoKα","","0.1043","0.0952","","","0.2258","0.2297","","","","","","1.191","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512863","18.7686","0.0006","15.2482","0.0005","6.90544","0.00025","90","","89.7367","0.0022","90","","1976.23","0.12","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H22 Cl8 O10 -","- C39 H22 Cl8 O10 -","- C78 H44 Cl16 O20 -","2","1","","Shivakumar, Kilingaru I.; Yan, Yuncheng; Hughes, Colan E.; Apperley, David C.; Harris, Kenneth D. M.; Sanjayan, Gangadhar J.","Exploiting Powder X-ray Diffraction to Establish the Solvent-Assisted Solid-State Supramolecular Assembly of Pillar[5]quinone","Crystal Growth & Design","2015","15","4","1583","","10.1021/acs.cgd.5b00277","powder diffraction","x-ray","1.5406","","","","","","","","","0.19725","","1.64","","","","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512864","19.281","0.0003","19.281","0.0003","25.7179","0.0009","90","","90","","120","","8279.9","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cd N8 O4 -","- C18 H10 Cd N8 O4 -","- C162 H90 Cd9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.079","0.0699","","","0.231","0.245","","","","","","1.144","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512865","19.2692","0.0003","19.2692","0.0003","24.45","0.0007","90","","90","","120","","7862.1","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H10 Cu N8 O4 -","- C18 H10 Cu N8 O4 -","- C162 H90 Cu9 N72 O36 -","9","0.5","","He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan","Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","4","2033","","10.1021/acs.cgd.5b00229","","","0.71073","MoKα","","0.0992","0.091","","","0.2763","0.2915","","","","","","1.286","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512866","7.8178","0.0007","14.4719","0.0012","18.6562","0.0016","67.602","0.006","78.49","0.007","82.794","0.007","1909.4","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N4 S Si2 -","- C40 H48 N4 S Si2 -","- C80 H96 N8 S2 Si4 -","2","1","","An, Cunbin; Zhou, Shoufa; Baumgarten, Martin","Condensed Derivatives of Thiadiazoloquinoxaline as Strong Acceptors","Crystal Growth & Design","2015","15","4","1934","","10.1021/acs.cgd.5b00105","","","0.71073","MoKα","","0.1478","0.0535","","","0.1114","0.1453","","","","","","0.878","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512867","10.3886","0.0008","10.3886","0.0008","23.2837","0.0018","90","","90","","120","","2176.2","0.3","100","","100","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C96 H120 O18 -","6","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.057","0.0386","","","0.0851","0.0918","","","","","","1.018","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512868","7.7968","0.0009","11.8457","0.0013","15.6772","0.0017","90","","90","","90","","1447.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.0325","0.0303","","","0.0785","0.08","","","","","","1.032","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512869","11.545","0.003","14.082","0.004","23.811","0.006","90","","90","","90","","3871.1","1.8","100","2","100","2","","","","","","","synthetic","3","P b c n","-P 2n 2ab","60","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl","","- C48 H50 O4 -","- C48 H50 O4 -","- C192 H200 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.0945","0.0618","","","0.155","0.1886","","","","","","1.09","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512870","11.118","0.005","13.77","0.006","14.464","0.006","92.828","0.009","96.746","0.008","107.279","0.008","2091.5","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclohexenone","","- C102 H108 O9 -","- C102 H108 O9 -","- C102 H108 O9 -","1","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1706","0.1049","","","0.2617","0.3711","","","","","","1.115","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512871","24.471","0.012","15.774","0.012","12.252","0.007","90","","92.565","0.016","90","","4725","5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-decalin","","- C58 H68 O4 -","- C58 H68 O4 -","- C232 H272 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1733","0.0921","","","0.2228","0.2914","","","","","","1.022","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512872","29.044","0.007","11.731","0.002","24.658","0.005","90","","92.399","0.005","90","","8394","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB-methoxybenzaldehyde","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-methoxybenzaldehyde","","- C52 H54 O5 -","- C52 H54 O5 -","- C416 H432 O40 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.0964","0.0652","","","0.1732","0.2367","","","","","","1.101","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512873","11.7393","0.0006","13.7204","0.0007","14.1348","0.0007","96.802","0.001","98.737","0.001","108.618","0.001","2098.35","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-dichlorobenzene","","- C51 H52 Cl O4 -","- C51 H52 Cl O4 -","- C102 H104 Cl2 O8 -","2","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.0991","0.053","","","0.1038","0.1201","","","","","","1.01","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512874","11.554","0.006","13.665","0.007","14.373","0.008","91.055","0.011","99.128","0.01","107.762","0.012","2128","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-hydroxybenzaldehyde","","- C103 H106 O10 -","- C103 H106 O10 -","- C103 H106 O10 -","1","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.2461","0.1162","","","0.2725","0.3955","","","","","","0.966","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512875","28.348","0.006","11.778","0.002","30.986","0.005","90","","101.909","0.006","90","","10123","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclododecene","","- C60 H74 O4 -","- C60 H74 O4 -","- C480 H592 O32 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.1959","0.1189","","","0.3251","0.3945","","","","","","1.201","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512876","26.616","0.003","14.999","0.0011","11.5435","0.0009","90","","102.608","0.002","90","","4497.2","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclooctane","","- C56 H66 O4 -","- C56 H66 O4 -","- C224 H264 O16 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1246","0.0802","","","0.2117","0.2769","","","","","","1.08","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512877","30.156","0.013","12.688","0.005","25.591","0.012","90","","115.696","0.018","90","","8823","7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-cyclohexanone","","- C54 H60 O5 -","- C54 H60 O5 -","- C432 H480 O40 -","8","1","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","x-ray","0.71073","MoKα","","0.2273","0.0913","","","0.2029","0.2896","","","","","","0.936","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512878","28.915","0.012","11.849","0.004","24.852","0.01","90","","91.715","0.014","90","","8511","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TB-transcinnamaldehyde","3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-transcinnamaldehyde","","- C105 H106 O9 -","- C105 H106 O9 -","- C420 H424 O36 -","4","0.5","","Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility","Crystal Growth & Design","2015","15","5","2129","","10.1021/cg501711t","","","0.71073","MoKα","","0.1905","0.1039","","","0.2649","0.3384","","","","","","1.034","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512879","4.6421","0.0012","9.923","0.003","14.773","0.004","106.135","0.004","93.894","0.004","91.467","0.004","651.5","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N8 O12 -","- C24 H16 N8 O12 -","- C24 H16 N8 O12 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0764","0.046","","","0.115","0.1264","","","","","","0.936","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512880","18.516","0.003","7.9896","0.0011","16.502","0.002","90","","118.946","0.002","90","","2136.3","0.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 Cd2 N0 O14 -","- C16 H16 Cd2 O14 -","- C64 H64 Cd8 O56 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.0406","0.0388","","","0.1255","0.1274","","","","","","1.166","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512881","10.7643","0.0004","11.1903","0.0005","11.8805","0.0006","101.006","0.004","110.549","0.004","99.779","0.004","1270.95","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30.8 Cu5 O26.4 -","- C32 H30.8 Cu5 O26.4 -","- C32 H30.8 Cu5 O26.4 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0454","0.0391","","","0.1076","0.1119","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512882","21.1595","0.0006","10.0443","0.0002","16.9449","0.0004","90","","100.237","0.002","90","","3544.01","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cd2 N4 O14 -","- C36 H32 Cd2 N4 O14 -","- C144 H128 Cd8 N16 O56 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0476","0.0375","","","0.0851","0.093","","","","","","1.057","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512883","7.6683","0.0005","41.941","0.003","7.8187","0.0006","90","","104.516","0.008","90","","2434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O12 Zn2 -","- C26 H20 N2 O12 Zn2 -","- C104 H80 N8 O48 Zn8 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0577","0.0431","","","0.092","0.1005","","","","","","1.047","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512884","10.0879","0.0007","11.3386","0.0008","28.2595","0.0016","89.39","0.005","81.837","0.005","87.109","0.006","3195.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H104 N12 Ni7 O52 -","- C124 H104 N12 Ni7 O52 -","- C124 H104 N12 Ni7 O52 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.078","0.0604","","","0.1461","0.1551","","","","","","1.075","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512885","37.359","0.002","7.7625","0.0002","22.3426","0.0007","90","","91.094","0.004","90","","6478.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N3 Ni1.5 O14 -","- C31 H29 N3 Ni1.5 O14 -","- C248 H232 N24 Ni12 O112 -","8","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71","MoKα","","0.0511","0.0412","","","0.0975","0.1045","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512886","8.7712","0.0005","22.9092","0.0017","32.3091","0.0014","76.589","0.005","89.49","0.004","82.229","0.006","6255.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H232 N48 Ni9 O90 -","- C240 H232 N48 Ni9 O90 -","- C240 H232 N48 Ni9 O90 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Wu, Yu; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Seven Coordination Polymers Derived from Semirigid Tetracarboxylic Acids and N-Donor Ligands: Topological Structures, Unusual Magnetic Properties, and Photoluminescences","Crystal Growth & Design","2015","15","5","2419","","10.1021/acs.cgd.5b00205","","","0.71073","MoKα","","0.142","0.0723","","","0.1254","0.162","","","","","","1.029","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512887","10.9158","0.001","13.3254","0.0014","13.534","0.0017","118.197","0.012","103.028","0.009","98.458","0.008","1614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N6 O11 Zn2 -","- C27 H31 N6 O11 Zn2 -","- C54 H62 N12 O22 Zn4 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0783","0.051","","","0.1486","0.1807","","","","","","0.866","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512888","12.1368","0.0004","14.4335","0.0006","22.7972","0.0007","90","","101.6","0.003","90","","3912","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0676","0.0456","","","0.1142","0.1266","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512889","12.886","0.0006","16.4783","0.0005","18.2541","0.0007","80.202","0.004","86.039","0.007","81.673","0.006","3775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 N18 O21 Zn3 -","- C64 H64 N18 O21 Zn3 -","- C128 H128 N36 O42 Zn6 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.086","0.0779","","","0.2385","0.2519","","","","","","1.035","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512890","10.3002","0.0006","14.1298","0.0011","14.8628","0.0013","90","","101.989","0.006","90","","2115.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N4 O6 Zn -","- C19 H24 N4 O6 Zn -","- C76 H96 N16 O24 Zn4 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.1075","0.0512","","","0.1259","0.1854","","","","","","1.045","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512891","10.0653","0.0005","11.3373","0.0009","11.7274","0.0007","117.625","0.007","92.949","0.005","102.78","0.006","1137.8","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N4 O6 Zn -","- C21 H28 N4 O6 Zn -","- C42 H56 N8 O12 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.0544","0.0439","","","0.1104","0.1204","","","","","","1.032","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512892","7.9583","0.0013","15.736","0.0016","20.212","0.002","90","","94.999","0.012","90","","2521.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O7 Zn -","- C22 H26 N4 O7 Zn -","- C88 H104 N16 O28 Zn4 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Xin; Yao, Yuan-Gen","Construction of a Series of Zn(II) Compounds with Different Entangle Motifs by Varying Flexible Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","5","2223","","10.1021/cg501879w","","","0.71073","MoKα","","0.1137","0.0767","","","0.1963","0.2264","","","","","","1.039","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512893","7.037","0.009","7.037","0.009","5.483","0.007","90","","90","","120","","235.1","0.5","295","2","295","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0282","0.0256","","","0.0579","0.0591","","","","","","1.104","","","","has coordinates","138058","2020-10-21","18:00:00",""
"4512894","5.8364","0.0003","11.1486","0.0004","19.6062","0.0008","90","","90","","90","","1275.73","0.1","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Mandal, Amal Kumar; Sreejith, Sivaramapanicker; He, Tingchao; Maji, Swarup Kumar; Wang, Xiao-Jun; Ong, Shi Li; Joseph, James; Sun, Handong; Zhao, Yanli","Three-photon-excited luminescence from unsymmetrical cyanostilbene aggregates: morphology tuning and targeted bioimaging.","ACS nano","2015","9","5","4796","4805","10.1021/nn507072r","","","0.71073","MoKα","","0.0381","0.0338","","","0.0849","0.0978","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512895","46.33","0.007","10.727","0.0015","23.714","0.003","90","","95.872","0.003","90","","11724","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H42 Co2 N4 O16 -","- C53 H42 Co2 N4 O16 -","- C424 H336 Co16 N32 O128 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0954","0.0466","","","0.1027","0.1086","","","","","","0.801","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512896","45.94","0.03","11.228","0.007","24.489","0.016","90","","98.809","0.012","90","","12483","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H112 Cd4 N11 O35 -","- C115 H98 Cd4 N11 O35 -","- C460 H392 Cd16 N44 O140 -","4","0.5","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0793","0.0659","","","0.1994","0.2104","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512897","46.352","0.013","10.619","0.003","23.508","0.007","90","","95.291","0.005","90","","11522","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 N4 Ni2 O16 -","- C53 H44 N4 Ni2 O16 -","- C424 H352 N32 Ni16 O128 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0894","0.0512","","","0.1025","0.1095","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512898","16.6278","0.0019","13.9706","0.0016","29.131","0.003","90","","94.532","0.002","90","","6746","1.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H40 Co2 F12 N4 O12 -","- C59 H40 Co2 F12 N4 O12 -","- C236 H160 Co8 F48 N16 O48 -","4","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.1004","0.0687","","","0.1896","0.2039","","","","","","0.953","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512899","21.6968","0.0019","18.675","0.0017","35.58","0.003","90","","99.472","0.002","90","","14220","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cd2 N6 O12 -","- C57 H50 Cd2 N6 O12 -","- C456 H400 Cd16 N48 O96 -","8","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0925","0.0582","","","0.1344","0.1441","","","","","","0.928","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512900","13.59","0.003","16.408","0.003","17.371","0.004","65.056","0.003","88.239","0.004","68.768","0.004","3239.5","1.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H43 Co2 N4 O18 S2 -","- C53 H43 Co2 N4 O18 S2 -","- C106 H86 Co4 N8 O36 S4 -","2","1","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.1202","0.0998","","","0.2084","0.2189","","","","","","1.04","","","","has coordinates","138065","2020-10-21","18:00:00",""
"4512901","17.033","0.004","9.182","0.002","23.177","0.004","90","","131.684","0.012","90","","2707.1","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H40 Co2 N6 O12 -","- C53 H40 Co2 N6 O12 -","- C106 H80 Co4 N12 O24 -","2","0.5","","Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei","Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids","Crystal Growth & Design","2015","15","5","2272","","10.1021/acs.cgd.5b00067","","","0.71073","MoKα","","0.0495","0.0385","","","0.1019","0.108","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512902","7.976","0.008","12.006","0.014","12.284","0.01","112.01","0.02","90.05","0.03","100.58","0.05","1068.9","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 La2 O14 -","- C12 H16 La2 O14 -","- C24 H32 La4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","x-ray","0.71073","MoKα","","0.079","0.0507","","","0.1343","0.1555","","","","","","0.944","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512903","10.3536","0.0013","14.9452","0.0014","16.4976","0.0019","90","","90","","90","","2552.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clotrimazole-p-Coumaric acid","Clotrimazole-p-Coumaric acid","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C124 H100 Cl4 N8 O12 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.1953","0.0749","","","0.1005","0.1257","","","","","","0.829","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4512904","6.304","0.004","6.663","0.004","10.724","0.006","90","","98.527","0.01","90","","445.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cu Dy2 O12 S2 -","- Cu Dy2 O12 S2 -","- Cu2 Dy4 O24 S4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0697","0.0495","","","0.1764","0.2584","","","","","","1.2","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512905","12.4943","0.0005","9.844","0.0004","26.5445","0.0013","90","","90","","90","","3264.8","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0935","0.0584","","","0.1272","0.1456","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512906","12.812","0.0013","9.9314","0.0013","27.185","0.003","90","","90","","90","","3459","0.7","420","1","420","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0865","0.05","","","0.1278","0.1527","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512907","13.5295","0.0006","9.0467","0.0003","26.8082","0.001","90","","90","","90","","3281.3","0.2","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H22 Fe N12 S2 -","- C38 H22 Fe N12 S2 -","- C152 H88 Fe4 N48 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song","Structural Distortion Controlled Spin-Crossover Behavior","Crystal Growth & Design","2015","15","6","2565","","10.1021/acs.cgd.5b00175","","","0.71073","MoKα","","0.0707","0.0468","","","0.11","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512908","22.197","0.002","16.1128","0.0014","15.4952","0.0014","90","","119.595","0.001","90","","4818.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 La N4 O11 S2 -","- C21.5 H19 La N4 O11 S2 -","- C172 H152 La8 N32 O88 S16 -","8","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0354","0.0282","","","0.0658","0.0694","","","","","","1.064","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512909","27.3816","0.0007","27.3816","0.0007","19.3573","0.0006","90","","90","","90","","14513.2","0.7","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C264 H348 Ag20 N0 O8 -","- C264 H348 Ag20 O8 -","- C528 H696 Ag40 O16 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1113","0.0541","","","0.1173","0.1368","","","","","","0.987","","","","has coordinates","138071","2020-10-21","18:00:00",""
"4512910","16.224","0.005","12.979","0.004","16.226","0.005","90","","100.056","0.01","90","","3364.2","1.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd2 N6 O9 -","- C26 H26 Cd2 N6 O9 -","- C104 H104 Cd8 N24 O36 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1352","0.0801","","","0.1946","0.2144","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512911","10.8417","0.0003","16.2903","0.0004","17.9497","0.0005","66.7233","0.0011","87.0069","0.001","85.0074","0.0016","2900.55","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","benperidol polymorph II","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one polymorph II","","- C22 H24 F N3 O2 -","- C22 H24 F N3 O2 -","- C132 H144 F6 N18 O12 -","6","3","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.1701","0.0765","","","0.1283","0.1616","","","","","","1.013","","","","has coordinates","138074","2020-10-21","18:00:00",""
"4512912","5.6964","0.0001","14.209","0.0002","15.9716","0.0002","81.479","0.001","82.263","0.001","79.158","0.001","1248.05","0.03","105","2","105","2","","","","","","","see text","5","P -1","-P 1","2","sulphamethizole","","","- C18 H22 N8 O8 S5 -","- C18 H22 N8 O8 S5 -","- C36 H44 N16 O16 S10 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.031","0.023","","","","0.024","","","","","","1.026","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4512913","23.2598","0.0014","19.1365","0.0008","11.8928","0.0007","90","","90","","90","","5293.6","0.5","291.45","0.1","291.45","0.1","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C40 H46 N O39 Tb3 -","- C40 H46 N O39 Tb3 -","- C160 H184 N4 O156 Tb12 -","4","0.5","","Wang, Wen; Yang, Jie; Wang, Rongming; Zhang, Liangliang; Yu, Jianfeng; Sun, Daofeng","Luminescent Terbium-Organic Framework Exhibiting Selective Sensing of Nitroaromatic Compounds (NACs)","Crystal Growth & Design","2015","15","6","2589","","10.1021/acs.cgd.5b00381","","x-ray","0.71073","MoKα","","0.0681","0.0572","","","0.1537","0.1641","","","","","","1.074","","","","has coordinates","138044","2020-10-21","18:00:00",""
"4512914","7.2813","0.0015","16.42","0.003","13.591","0.003","90","","90","","90","","1624.9","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O15 Si6 Th -","- Cs2 O15 Si6 Th -","- Cs8 O60 Si24 Th4 -","4","0.5","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.047","0.0391","","","0.0814","0.0867","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512915","7.3288","0.0015","12.235","0.002","17.51","0.004","98.97","0.03","90.97","0.03","106.44","0.03","1484.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- O30 Rb4 Si12 Th2 -","- O30 Rb4 Si12 Th2 -","- O60 Rb8 Si24 Th4 -","2","1","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0614","0.0322","","","0.059","0.0701","","","","","","0.75","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512916","11.794","0.002","8.5762","0.0017","22.099","0.004","90","","90","","90","","2235.3","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F2 K2 O10 Si4 Th -","- F2 K2 O10 Si4 Th -","- F16 K16 O80 Si32 Th8 -","8","1","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0488","0.0382","","","0.0893","0.0954","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512917","7.4738","0.0011","7.4738","0.0011","10.674","0.002","90","","90","","120","","516.35","0.14","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs2 O9 Si3 Th -","- Cs2 O9 Si3 Th -","- Cs4 O18 Si6 Th2 -","2","0.166667","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0294","0.0251","","","0.0563","0.059","","","","","","1.183","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512918","7.3064","0.001","7.3064","0.001","10.604","0.002","90","","90","","120","","490.24","0.13","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- O9 Rb2 Si3 Th -","- O9 Rb2 Si3 Th -","- O18 Rb4 Si6 Th2 -","2","0.166667","","Mann, J. Matthew; McMillen, Colin D.; Kolis, Joseph W.","Crystal Chemistry of Alkali Thorium Silicates Under Hydrothermal Conditions","Crystal Growth & Design","2015","15","6","2643","","10.1021/cg5017164","","","0.71073","MoKα","","0.0338","0.0305","","","0.0649","0.0664","","","","","","1.183","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512919","3.7276","0.0007","7.8853","0.0016","14.104","0.003","84.92","0.03","82.68","0.03","81.8","0.03","405.93","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 Mn N2 O4 -","- C10 H14 B2 Cl4 Mn N2 O4 -","- C10 H14 B2 Cl4 Mn N2 O4 -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0651","0.0583","","","0.1508","0.1555","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512920","3.803","0.0008","7.8592","0.0016","14.179","0.003","84.77","0.03","82.38","0.03","81.11","0.03","413.92","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0245","0.0224","","","0.0604","0.079","","","","","","1.256","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512921","9.0727","0.0018","9.5234","0.0019","10.835","0.002","79.53","0.03","65.87","0.03","71.62","0.03","809.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 Cu N2 O4 -","- C10 H14 B2 Cl4 Cu N2 O4 -","- C20 H28 B4 Cl8 Cu2 N4 O8 -","2","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0765","0.0527","","","0.1165","0.1251","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512922","20.949","0.004","7.4938","0.0015","14.998","0.003","90","","133.85","0.03","90","","1698","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","- C40 H56 B8 Cl16 N8 O16 Pd4 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0227","0.022","","","0.0497","0.05","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512923","6.9892","0.0015","9.0375","0.0018","14.408","0.003","95.14","0.02","103.63","0.02","107.873","0.013","828.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cd Cl4 N2 O4 -","- C10 H14 B2 Cd Cl4 N2 O4 -","- C20 H28 B4 Cd2 Cl8 N4 O8 -","2","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0276","0.025","","","0.0578","0.0592","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512924","13.863","0.003","3.7921","0.0008","20.094","0.004","90","","97.46","0.03","90","","1047.4","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C5 H9 B Cl3 Cu N O3 -","- C5 H9 B Cl3 Cu N O3 -","- C20 H36 B4 Cl12 Cu4 N4 O12 -","4","1","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0303","0.0301","","","0.0769","0.077","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512925","6.926","0.0014","7.9568","0.0016","8.297","0.0017","70.25","0.03","79.53","0.03","83.22","0.03","422.38","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","- C10 H14 B2 Cl4 N2 O4 Pd -","1","0.5","","Yahsi, Yasemin; Gungor, Elif; Kara, Hulya","Chlorometallate-Pyridinium Boronic Acid Salts for Crystal Engineering: Synthesis of One-, Two-, and Three-Dimensional Hydrogen Bond Networks","Crystal Growth & Design","2015","15","6","2652","","10.1021/cg501769b","","","0.71073","MoKα","","0.0273","0.0256","","","0.0681","0.0689","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512926","3.6697","0.0002","12.7871","0.0005","7.1036","0.0003","90","","93.258","0.005","90","","332.8","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H4 Cu2 N4 S -","- C3 H4 Cu2 N4 S -","- C6 H8 Cu4 N8 S2 -","2","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0846","0.058","","","0.1345","0.1527","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512927","9.0102","0.0002","10.8418","0.0003","19.2997","0.0005","90","","90","","90","","1885.33","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cu2 N6 S2 -","- C16 H16 Cu2 N6 S2 -","- C64 H64 Cu8 N24 S8 -","4","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0405","0.0293","","","0.0644","0.07","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512928","17.1154","0.0016","11.0711","0.0009","16.9068","0.0019","90","","119.192","0.013","90","","2796.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cu N3 S -","- C14 H12 Cu N3 S -","- C112 H96 Cu8 N24 S8 -","8","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.1706","0.0611","","","0.0817","0.1112","","","","","","0.965","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512929","9.1672","0.0003","11.6124","0.0005","11.9925","0.0004","93.991","0.003","107.265","0.003","108.568","0.004","1136.51","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Cu3 F4 N7 S2 -","- C17 H12 Cu3 F4 N7 S2 -","- C34 H24 Cu6 F8 N14 S4 -","2","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.1043","0.0453","","","0.1044","0.1188","","","","","","0.877","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512930","9.8502","0.0008","13.6853","0.0011","16.4912","0.0013","90","","90","","90","","2223.1","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","","Bae, Han Yong; Song, Choong Eui","Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes","ACS Catalysis","2015","5","6","3613","","10.1021/acscatal.5b00685","","","0.71073","MoKα","","0.0985","0.0635","","","0.16","0.1974","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512931","26.1417","0.0006","9.2708","0.0002","25.2635","0.0006","90","","107.854","0.001","90","","5827.9","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 I4 N6 O2 Sn -","- C54 H32 I4 N6 O2 Sn -","- C216 H128 I16 N24 O8 Sn4 -","4","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.048","0.0392","","","0.1017","0.1064","","","","","","1.059","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512932","12.5951","0.0007","14.0035","0.001","25.5337","0.0019","77.984","0.004","83.401","0.003","73.505","0.003","4216.1","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H74 I8 N16 O2 Sn Zn2 -","- C128 H74 I8 N16 O2 Sn Zn2 -","- C128 H74 I8 N16 O2 Sn Zn2 -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.1182","0.0746","","","0.1878","0.2014","","","","","","1.079","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512933","29.1636","0.0008","9.5465","0.0003","21.3518","0.0006","90","","100.586","0.0015","90","","5843.4","0.3","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C116 H80 I6 N24 O7 Sn2 -","- C116 H80 I6 N24 O7 Sn2 -","- C232 H160 I12 N48 O14 Sn4 -","2","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0812","0.0612","","","0.1346","0.1409","","","","","","1.093","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512934","6.3885","0.0003","22.3246","0.0016","28.971","0.002","90","","91.98","0.002","90","","4129.4","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 I2 N6 -","- C42 H24 I2 N6 -","- C168 H96 I8 N24 -","4","1","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.065","0.0411","","","0.0855","0.0909","","","","","","0.993","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512935","10.4991","0.0007","12.9238","0.0007","20.5966","0.0014","100.132","0.003","104.578","0.003","100.979","0.002","2580.5","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H30 Br2 I2 N8 O4 Sn -","- C54 H30 Br2 I2 N8 O4 Sn -","- C108 H60 Br4 I4 N16 O8 Sn2 -","2","1","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0814","0.0671","","","0.1891","0.1985","","","","","","1.046","","","","has coordinates","138049","2020-10-21","18:00:00",""
"4512936","11.2642","0.0007","12.6141","0.0007","13.3936","0.0008","80.256","0.003","79.612","0.003","67.802","0.002","1722.42","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H42 Br2 I2 N8 O12 Sn -","- C70 H42 Br2 I2 N8 O12 Sn -","- C70 H42 Br2 I2 N8 O12 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.0688","0.0537","","","0.1392","0.1461","","","","","","1.014","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512937","9.128","0.0006","12.0763","0.0007","14.3062","0.0009","95.817","0.002","93.651","0.002","95.135","0.002","1558.37","0.17","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H46 Br2 I2 N8 O10 Sn -","- C64 H46 Br2 I2 N8 O10 Sn -","- C64 H46 Br2 I2 N8 O10 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.1054","0.0661","","","0.1412","0.1652","","","","","","1.062","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512938","9.5779","0.0007","12.8239","0.001","13.6142","0.0012","81.994","0.003","87.205","0.003","88.339","0.003","1653.5","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H34 I2 N6 O10 Sn -","- C58 H34 I2 N6 O10 Sn -","- C58 H34 I2 N6 O10 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.079","0.0544","","","0.1435","0.1515","","","","","","1.099","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512939","9.0924","0.0003","13.8395","0.0005","15.4844","0.0007","76.065","0.002","82.58","0.003","72.433","0.001","1799.57","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H44 I2 N9 O14 S2 Sn -","- C72 H44 I2 N9 O14 S2 Sn -","- C72 H44 I2 N9 O14 S2 Sn -","1","0.5","","Titi, Hatem M.; Nandi, Goutam; Tripuramallu, Bharat Kumar; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Tetraarylporphyrins by Halogen Interactions. 3. Tin(L)2(A2B2-Porphyrin) Arrays Supported by Concerted Halogen and Hydrogen Bonding","Crystal Growth & Design","2015","15","6","3063","","10.1021/acs.cgd.5b00543","","","0.71073","MoKα","","0.061","0.0506","","","0.1236","0.1291","","","","","","1.078","","","","has coordinates,has disorder","138049","2020-10-21","18:00:00",""
"4512940","12.07","0.004","16.257","0.005","14.625","0.005","90","","91.229","0.004","90","","2869.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O7 S -","- C30 H37 N2 O7 S -","- C120 H148 N8 O28 S4 -","4","1","","Iwama, Sekai; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Case Study on the Interpretation of Crystal Structures Inducing Preferential Enrichment Based on the Graph Set Analysis of Hydrogen Bond Motifs","Crystal Growth & Design","2015","15","6","3052","","10.1021/acs.cgd.5b00499","","","0.71075","MoKα","","0.1087","0.0668","","","0.1481","0.1675","","","","","","0.955","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512941","13.672","0.003","14.846","0.004","16.641","0.004","102.543","0.003","102.772","0.003","103.852","0.0018","3065.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 I N2 O7.5 S -","- C30 H38 I N2 O7.5 S -","- C120 H152 I4 N8 O30 S4 -","4","2","","Iwama, Sekai; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Case Study on the Interpretation of Crystal Structures Inducing Preferential Enrichment Based on the Graph Set Analysis of Hydrogen Bond Motifs","Crystal Growth & Design","2015","15","6","3052","","10.1021/acs.cgd.5b00499","","","0.71075","MoKα","","0.105","0.0674","","","0.1356","0.1544","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512942","7.7025","0.0012","7.708","0.0011","16.958","0.003","78.06","0.004","88.605","0.004","82.113","0.004","975.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1049","0.0547","","","0.1467","0.1845","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512943","7.5962","0.0013","7.7187","0.0012","16.939","0.003","78.487","0.004","89.106","0.004","81.261","0.004","961.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H50 N2 Si2 -","- C42 H50 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1111","0.0584","","","0.1507","0.1849","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512944","7.614","0.004","7.647","0.004","16.876","0.008","78.31","0.009","88.812","0.009","82.064","0.009","953","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1667","0.0714","","","0.1739","0.2385","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512945","10.795","0.0002","12.6416","0.0004","14.6957","0.0004","65.979","0.003","89.9734","0.0019","71.994","0.002","1723.83","0.09","110","0.14","110","0.14","","","","","","","","6","P 1","P 1","1","","","","- C36 H52 Br Co N2 O2 -","- C36 H52 Br Co N2 O2 -","- C72 H104 Br2 Co2 N4 O4 -","2","2","","North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao","Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling","ACS Catalysis","2015","5","6","3398","","10.1021/acscatal.5b00235","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.081","0.0845","","","","","","1.025","","","","has coordinates,has disorder","154538","2020-10-21","18:00:00",""
"4512946","8.167","0.004","8.306","0.005","10.825","0.006","91.64","0.012","99.308","0.012","92.741","0.011","723.3","0.7","297","1","297","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C32 H24 F6 N2 O4 -","2","1","","Albaladejo, María José; Alonso, Francisco; González-Soria, María José","Synthetic and Mechanistic Studies on the Solvent-Dependent Copper-Catalyzed Formation of Indolizines and Chalcones","ACS Catalysis","2015","5","6","3446","","10.1021/acscatal.5b00417","","","0.71073","MoKα","","0.0805","0.0497","","","0.1452","0.1699","","","","","","1.008","","","","has coordinates,has disorder","140056","2020-10-21","18:00:00",""
"4512947","13.234","0.003","17.661","0.004","20.966","0.004","90","","93.12","0.03","90","","4893","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","- Bi4 Na20.72 O213.36 W36 Zn8 -","1","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0602","0.0401","","","0.0985","0.1096","","","","","","1.081","","","","has coordinates,has disorder","140058","2020-10-21","18:00:00",""
"4512948","16.187","0.003","19.43","0.004","14.641","0.003","90","","90","","90","","4604.8","1.6","120","2","120","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Bi2 Na4 O98.55 W18 Zn6 -","- Bi2 Na4 O98.56 W18 Zn6 -","- Bi4 Na8 O197.12 W36 Zn12 -","2","0.25","","Amanchi, Srinivasa Rao; Khenkin, Alexander M.; Diskin-Posner, Yael; Neumann, Ronny","Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity","ACS Catalysis","2015","5","6","3336","","10.1021/acscatal.5b00066","","","0.71073","MoKα","","0.0499","0.0423","","","0.1119","0.1153","","","","","","1.063","","","","has coordinates","140058","2020-10-21","18:00:00",""
"4512949","6.8275","0.0004","21.568","0.0013","11.9397","0.0007","90","","101.777","0.0017","90","","1721.17","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20.88 I N5 O1.44 -","- C15 H20 I N5 O1.437 -","- C60 H80 I4 N20 O5.748 -","4","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0302","0.0232","","","0.0507","0.0534","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512950","5.9981","0.0004","7.7485","0.0005","19.4519","0.0013","90","","93.6786","0.0018","90","","902.19","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N3 O -","- C17 H22 I N3 O -","- C34 H44 I2 N6 O2 -","2","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0621","0.0424","","","0.0941","0.1026","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512951","8.6169","0.0005","21.6556","0.0011","9.0042","0.0005","90","","114.328","0.0015","90","","1531.02","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I6 N4 -","- C20 H30 I6 N4 -","- C40 H60 I12 N8 -","2","0.5","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0397","0.0281","","","0.0655","0.0699","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512952","8.4187","0.0004","20.3266","0.0011","33.448","0.0016","90","","90","","90","","5723.7","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cd N4 O4 -","- C35 H24 Cd N4 O4 -","- C280 H192 Cd8 N32 O32 -","8","1","","Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping","Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water","Crystal Growth & Design","2015","15","6","2753","","10.1021/acs.cgd.5b00095","","","0.71073","MoKα","","0.0416","0.0281","","","0.0603","0.0649","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512953","12.9468","0.0007","8.8566","0.0005","15.9979","0.0007","90","","91.294","0.005","90","","1833.93","0.16","223","0.1","223","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C92 H72 N16 -","4","1","","Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping","Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water","Crystal Growth & Design","2015","15","6","2753","","10.1021/acs.cgd.5b00095","","","0.71073","MoKα","","0.107","0.0545","","","0.1351","0.1664","","","","","","0.873","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512954","29.258","0.002","8.142","0.0006","22.6504","0.0017","90","","126.293","0.001","90","","4349","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Cl2 N2 O8 -","- C48 H50 Cl2 N2 O8 -","- C192 H200 Cl8 N8 O32 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0495","0.0397","","","0.1027","0.109","","","","","","1.036","","","","has coordinates,has disorder","138039","2020-10-21","18:00:00",""
"4512955","29.465","0.002","8.1667","0.0006","22.2934","0.0015","90","","126.647","0.001","90","","4304.1","0.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 N2 O7 -","- C47 H42 Cl2 N2 O7 -","- C188 H168 Cl8 N8 O28 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0582","0.0422","","","0.1188","0.1337","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512956","29.546","0.004","8.2644","0.0011","22.337","0.003","90","","126.948","0.0017","90","","4359","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Cl2 N2 O8 -","- C48 H50 Cl2 N2 O8 -","- C192 H200 Cl8 N8 O32 -","4","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0928","0.0485","","","0.1316","0.182","","","","","","0.78","","","","has coordinates","138039","2020-10-21","18:00:00",""
"4512957","8.2867","0.0006","15.1896","0.0011","19.9602","0.0015","90","","93.196","0.001","90","","2508.5","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 F12 N2 O8 P2 S2 -","- C48 H54 F12 N2 O8 P2 S2 -","- C96 H108 F24 N4 O16 P4 S4 -","2","0.5","","Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki","Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts","Crystal Growth & Design","2015","15","6","2723","","10.1021/acs.cgd.5b00028","","","0.71073","MoKα","","0.0632","0.0515","","","0.1389","0.1488","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512958","17.6998","0.0005","20.0245","0.0006","34.7604","0.001","90","","98.459","0.001","90","","12186.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RsC3, bpea,EtOH, Water","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, Ethanol, water","","- C500 H552 N20 O98 -","- C500 H552 N20 O98 -","- C500 H552 N20 O98 -","1","0.25","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","1.54178","CuKα","","0.0995","0.0933","","","0.2745","0.283","","","","","","1.027","","","","has coordinates,has disorder","138040","2020-10-21","18:00:00",""
"4512959","14.1737","0.0012","16.3706","0.0014","26.37","0.002","97.489","0.001","95.991","0.001","102.901","0.001","5856.7","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC1, bpea, MeCN","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, acetonitrile","","- C67 H76.5 N5.5 O8 -","- C67 H76.5 N5.5 O8 -","- C268 H306 N22 O32 -","4","2","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","0.71073","MoKα","","0.0843","0.0528","","","0.1313","0.1496","","","","","","1.037","","","","has coordinates","152088","2020-10-21","18:00:00",""
"4512960","11.318","0.0017","14.446","0.002","27.016","0.004","90","","94.706","0.002","90","","4402.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RsC1, bpea, MeCN","C-Methylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, Acetonitrile","","- C52 H53 N4 O8 -","- C52 H53 N4 O8 -","- C208 H212 N16 O32 -","4","1","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","0.71073","MoKα","","0.1335","0.0583","","","0.124","0.1582","","","","","","0.979","","","","has coordinates","138040","2020-10-21","18:00:00",""
"4512961","26.9942","0.0008","18.3383","0.0005","19.1907","0.0005","90","","90","","90","","9499.9","0.5","100","2","100","2","","","","","","","","4","I b a 2","I 2 -2c","45","RsC3, bpea","C-propylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane","","- C56 H56 N4 O8 -","- C56 H56 N4 O8 -","- C448 H448 N32 O64 -","8","1","","Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Solvent-Induced Manipulation of Supramolecular Organic Frameworks","Crystal Growth & Design","2015","15","6","2781","","10.1021/acs.cgd.5b00148","","","1.54178","CuKα","","0.0581","0.0544","","","0.1574","0.1608","","","","","","1.122","","","","has coordinates","138040","2020-10-21","18:00:00",""
"4512962","7.979","0.002","12.095","0.003","12.297","0.004","111.681","0.011","89.932","0.016","100.158","0.012","1082.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 La2 O14 -","- C12 H12 La2 O14 -","- C24 H24 La4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.0717","0.0397","","","0.0943","0.0991","","","","","","0.822","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512963","7.8354","0.0007","12.0496","0.0016","12.2524","0.0016","112.015","0.005","89.967","0.007","99.921","0.007","1053.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Nd2 O14 -","- C12 H12 Nd2 O14 -","- C24 H24 Nd4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1571","0.0844","","","0.2266","0.2392","","","","","","0.969","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512964","7.705","0.0003","11.9893","0.0007","12.1828","0.0006","112.143","0.002","89.979","0.003","99.58","0.003","1025.48","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 Gd2 O14 -","- C12 H16 Gd2 O14 -","- C24 H32 Gd4 O28 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1661","0.1365","","","0.3542","0.3801","","","","","","1.121","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512965","10.2108","0.0005","13.7312","0.0007","14.7406","0.0009","90","","90","","90","","2066.73","0.19","293","2","293","2","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- C12 H22 La2 O17 -","- C12 H22 La2 O17 -","- C48 H88 La8 O68 -","4","0.5","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","x-ray","0.71073","MoKα","","0.0729","0.0412","","","0.0887","0.0927","","","","","","1.079","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512966","7.877","0.01","12.06","0.03","12.275","0.013","112.12","0.04","89.98","0.03","99.95","0.05","1061","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O14 Pr2 -","- C12 H14 O14 Pr2 -","- C24 H28 O28 Pr4 -","2","1","","D’Vries, Richard F.; Camps, Ihosvany; Ellena, Javier","Exploring the System Lanthanide/Succinate in the Formation of Porous Metal‒Organic Frameworks: Experimental and Theoretical Study","Crystal Growth & Design","2015","15","6","3015","","10.1021/acs.cgd.5b00426","","","0.71073","MoKα","","0.1415","0.1219","","","0.3554","0.3637","","","","","","1.501","","","","has coordinates","138042","2020-10-21","18:00:00",""
"4512967","6.321","0.002","6.693","0.002","10.757","0.004","90","","98.533","0.007","90","","450.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu H4 O12 S2 Tb2 -","- Cu H4 O12 S2 Tb2 -","- Cu2 H8 O24 S4 Tb4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0243","0.022","","","0.0557","0.0567","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512968","6.369","0.003","6.76","0.003","10.82","0.004","90","","98.6","0.009","90","","460.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu Eu2 H4 O12 S2 -","- Cu Eu2 H4 O12 S2 -","- Cu2 Eu4 H8 O24 S4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0225","0.0203","","","0.0551","0.0566","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512969","6.393","0.003","6.792","0.003","10.845","0.005","90","","98.616","0.009","90","","465.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu H4 O12 S2 Sm2 -","- Cu H4 O12 S2 Sm2 -","- Cu2 H8 O24 S4 Sm4 -","2","0.5","","Tang, Yingying; Cui, Meiyan; Guo, Wenbin; Zhang, Suyun; Yang, Ming; He, Zhangzhen","Syntheses, Structure, and Magnetic Properties of New 3d‒4f Heterometallic Hydroxysulfates Ln2Cu(SO4)2(OH)4(Ln = Sm, Eu, Tb, or Dy) with a Two-Dimensional Triangle Network","Crystal Growth & Design","2015","15","6","2742","","10.1021/acs.cgd.5b00057","","","0.71073","MoKα","","0.0269","0.0229","","","0.0582","0.0611","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512970","11.8471","0.0002","18.1104","0.0003","17.8499","0.0003","90","","90","","90","","3829.8","0.11","134.99","0.1","134.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H13 N5 O5 Zn -","- C20 H13 N5 O5 Zn -","- C160 H104 N40 O40 Zn8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","1.54184","CuKα","","0.088","0.082","","","0.242","0.2505","","","","","","1.048","","","","has coordinates,has disorder","138047","2020-10-21","18:00:00",""
"4512971","11.099","0.0002","12.1358","0.0002","16.4905","0.0002","90","","103.305","0.001","90","","2161.57","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O6 Zn -","- C22 H19 N5 O6 Zn -","- C88 H76 N20 O24 Zn4 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0424","0.0365","","","0.1114","0.1163","","","","","","1.078","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512972","8.534","0.0001","9.6573","0.0001","10.2602","0.0001","78.93","","75.695","0.001","76.4","0.001","788.315","0.015","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cd N3 O7 -","- C14 H16 Cd N3 O7 -","- C28 H32 Cd2 N6 O14 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0281","0.0274","","","0.0776","0.0781","","","","","","1.088","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512973","8.6453","0.0004","10.3129","0.0005","12.725","0.0006","109.491","0.002","95.535","0.002","97.425","0.002","1048.66","0.09","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N5 O5 -","- C22 H17 Cd N5 O5 -","- C44 H34 Cd2 N10 O10 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0561","0.0539","","","0.1429","0.1447","","","","","","1.099","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512974","8.6073","0.0001","10.209","0.0002","12.6781","0.0002","108.254","0.001","97.836","0.001","97.302","0.001","1030.9","0.03","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Mn N5 O5 -","- C22 H17 Mn N5 O5 -","- C44 H34 Mn2 N10 O10 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility","Crystal Growth & Design","2015","15","6","3024","","10.1021/acs.cgd.5b00432","","","0.71073","MoKα","","0.0943","0.092","","","0.2499","0.2521","","","","","","1.045","","","","has coordinates","138047","2020-10-21","18:00:00",""
"4512975","11.2182","0.0009","17.3265","0.001","11.2359","0.0008","90","","116.602","0.005","90","","1952.8","0.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co N4 O5 -","- C18 H20 Co N4 O5 -","- C72 H80 Co4 N16 O20 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1054","0.0574","","","0.1056","0.122","","","","","","0.827","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512976","10.34","0.005","12.798","0.005","19.845","0.005","90","0.005","99.722","0.005","90","0.005","2588.4","1.7","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C72 H80 Cd4 N16 O20 -","4","1","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0741","0.0508","","","0.1263","0.1407","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512977","19.9356","0.0006","19.9356","0.0006","50.3772","0.0013","90","","90","","120","","17339","0.9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Mn N8 O4 -","- C26 H30 Mn N8 O4 -","- C468 H540 Mn18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0891","0.0685","","","0.1525","0.1616","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512978","19.688","0.0015","19.688","0.0015","48.637","0.005","90","","90","","120","","16327","2","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 N8 Ni O4 -","- C26 H30 N8 Ni O4 -","- C468 H540 N144 Ni18 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.0885","0.0654","","","0.132","0.1412","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512979","19.791","0.006","19.791","0.006","48.771","0.015","90","","90","","120","","16544","9","140","2","140","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C26 H30 Co N8 O4 -","- C26 H30 Co N8 O4 -","- C468 H540 Co18 N144 O72 -","18","0.5","","Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies","Crystal Growth & Design","2015","15","6","2732","","10.1021/acs.cgd.5b00056","","","0.71073","MoKα","","0.1018","0.0668","","","0.1739","0.1912","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512980","6.8666","0.0008","11.9826","0.0011","35.436","0.003","90","","90","","90","","2915.7","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 Cl Hg N3 O -","- C11 H8 Br2 Cl Hg N3 O -","- C88 H64 Br16 Cl8 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.091","0.0871","","","0.1782","0.1921","","","","","","1.14","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512981","6.7633","0.0004","13.0955","0.0007","35.472","0.002","90","","90","","90","","3141.7","0.3","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C11 H7 Br2 Cl2 Hg N3 O -","- C11 H7 Br2 Cl2 Hg N3 O -","- C88 H56 Br16 Cl16 Hg8 N24 O8 -","8","","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.0837","0.0699","","","0.1588","0.166","","","","","","1.215","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4512982","12.367","0.003","12.398","0.003","19.467","0.005","73.74","0.003","85.023","0.003","60.828","0.003","2497.6","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propyl-pyrogallol[4]arene with anthracene","","","- C58 H64 N2 O12 -","- C58 H64 N2 O12 -","- C116 H128 N4 O24 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0881","0.0534","","","0.13","0.1476","","","","","","1.084","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512983","12.609","0.004","15.119","0.004","16.31","0.005","75.447","0.004","74.918","0.004","89.797","0.004","2899.5","1.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthracene","","","- C63 H82 O15 -","- C63 H82 O15 -","- C126 H164 O30 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1273","0.0928","","","0.2656","0.2863","","","","","","1.081","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512984","12.7344","0.0011","13.2047","0.0011","14.2578","0.0012","79.756","0.001","87.706","0.001","77.347","0.001","2302","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with acridine","","","- C52 H59 N O14 S -","- C52 H59 N O14 S -","- C104 H118 N2 O28 S2 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0803","0.0576","","","0.1534","0.1644","","","","","","1.108","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512985","12.376","0.003","12.39","0.003","19.456","0.005","72.87","0.003","84.455","0.003","60.803","0.003","2484.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with acridine","","","- C57 H63 N3 O12 -","- C57 H63 N3 O12 -","- C114 H126 N6 O24 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0859","0.0543","","","0.1406","0.1598","","","","","","1.035","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512986","12.5557","0.0009","15.1406","0.0011","16.5885","0.0012","75.979","0.001","73.215","0.001","89.712","0.001","2922","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with acridine","","","- C62 H81 N O15 -","- C62 H81 N O15 -","- C124 H162 N2 O30 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0844","0.0581","","","0.1482","0.1652","","","","","","1.049","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512987","12.0728","0.0002","18.6413","0.0003","25.0793","0.0004","106.891","0.001","99.571","0.001","99.528","0.001","5186.92","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.2 H140.2 N2 O39 -","- C112.2 H139.2 N2 O39 -","- C224.4 H278.4 N4 O78 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0804","0.074","","","0.2179","0.2269","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512988","12.1097","0.0007","12.1744","0.0007","20.6809","0.0015","79.141","0.002","75.948","0.003","63.826","0.002","2642.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with bromoanthracene","","","- C60 H63.5 Br1.5 O14 S -","- C60 H63.5 Br1.5 O14 S -","- C120 H127 Br3 O28 S2 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1211","0.0836","","","0.2048","0.2324","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512989","17.1188","0.0009","19.5418","0.001","20.4595","0.0011","103.841","0.003","95.487","0.003","115.156","0.002","5861.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with bromoanthracene","","","- C130 H146 Br3 O28 -","- C130 H146 Br3 O28 -","- C260 H292 Br6 O56 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.1563","0.1253","","","0.3521","0.3727","","","","","","1.068","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512990","12.524","0.002","15.636","0.003","16.677","0.003","76.865","0.002","70.362","0.002","87.31","0.002","2993.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with bromoanthracene","","","- C63 H83.04 Br O16.05 -","- C63 H81.044 Br O16.048 -","- C126 H162.088 Br2 O32.096 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0993","0.0861","","","0.2488","0.2626","","","","","","1.03","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512991","11.6471","0.0016","12.0998","0.0017","16.385","0.002","99.407","0.002","100.219","0.002","98.792","0.002","2202.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-methylpyrogallol[4]arene with anthraldehyde","","","- C50 H55 O16.5 -","- C50 H54.5 O16.5 -","- C100 H109 O33 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0613","0.0469","","","0.1262","0.1398","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512992","12.5813","0.0002","14.3539","0.0002","27.3466","0.0004","90","","90.797","0.001","90","","4938.06","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methylpyrogallol[4]arene with anthraldehyde","","","- C56 H68 O17 -","- C56 H66 O17 -","- C224 H264 O68 -","4","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0778","0.0756","","","0.2209","0.2229","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512993","12.3446","0.0009","12.3566","0.0009","17.4655","0.0012","88.6","0.001","72.767","0.001","60.859","0.001","2199.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with anthraldehyde","","","- C53 H53 N O13 -","- C53 H53 N O13 -","- C106 H106 N2 O26 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0495","0.0411","","","0.1119","0.1217","","","","","","1.055","","","","has coordinates","138057","2020-10-21","18:00:00",""
"4512994","12.1482","0.0007","12.1747","0.0007","17.8336","0.001","86.284","0.001","85.859","0.001","63.873","0.001","2360.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-ethylpyrogallol[4]arene with anthraldehyde","","","- C54 H62 O16 -","- C54 H58 O16 -","- C108 H116 O32 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.0645","0.0532","","","0.1463","0.1576","","","","","","1.06","","","","has coordinates,has disorder","138057","2020-10-21","18:00:00",""
"4512995","12.528","0.002","12.719","0.002","19.053","0.003","79.049","0.002","73.703","0.002","63.292","0.002","2595.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthraldehyde","","","- C59 H66 N2 O14.5 -","- C59 H63 N2 O14.5 -","- C118 H126 N4 O29 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1106","0.0822","","","0.2361","0.2622","","","","","","1.06","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512996","17.2462","0.0005","19.3561","0.0006","20.3195","0.0006","103.446","0.001","96.362","0.002","115.26","0.001","5793.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with anthraldehyde","","","- C133 H149.5 O31 -","- C133 H149.5 O31 -","- C266 H299 O62 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","1.54178","CuKα","","0.0958","0.0835","","","0.2393","0.2518","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512997","19.7677","0.0017","20.5845","0.0018","20.8045","0.0018","98.145","0.001","104.042","0.001","110.718","0.001","7436.1","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-hexylpyrogallol[4]arene with anthraldehyde","","","- C153.5 H215.5 O33 -","- C153.5 H215.5 O33 -","- C307 H431 O66 -","2","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.21","0.1043","","","0.3036","0.3868","","","","","","1.131","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4512998","10.358","0.004","23.029","0.009","23.208","0.009","90","","94.531","0.005","90","","5519","4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C59 H74 O20 -","- C59 H74 O20 -","- C236 H296 O80 -","4","1","","Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.","Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes","Crystal Growth & Design","2015","15","6","2958","","10.1021/acs.cgd.5b00385","","","0.71073","MoKα","","0.1777","0.0704","","","0.1551","0.206","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512999","6.9824","0.0007","6.9824","0.0007","5.4749","0.0006","90","","90","","120","","231.16","0.04","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0183","0.0183","","","0.0482","0.0482","","","","","","1.146","","","","has coordinates","138058","2020-10-21","18:00:00",""
"4513000","5.124","0.006","12.042","0.014","5.496","0.007","90","","111.647","0.014","90","","315.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0541","0.0431","","","0.1219","0.1303","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513001","5.0749","0.0008","6.1692","0.001","5.388","0.0008","90","","113.393","0.002","90","","154.82","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0235","0.0232","","","0.0633","0.0637","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513002","5.0855","0.0003","11.8018","0.0008","5.46","0.0004","90","","111.973","0.001","90","","303.89","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Jiang, Qi; Shtukenberg, Alexander G.; Ward, Michael D.; Hu, Chunhua","Non-Topotactic Phase Transformations in Single Crystals of β-Glycine","Crystal Growth & Design","2015","15","6","2568","","10.1021/acs.cgd.5b00187","","","0.71073","MoKα","","0.0307","0.0279","","","0.0776","0.0799","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513003","11.5654","0.0016","13.0337","0.0017","14.192","0.002","63.048","0.002","83.259","0.003","80.009","0.002","1876.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu4 O30 Sm2 -","- C34 H24 Cu4 O30 Sm2 -","- C68 H48 Cu8 O60 Sm4 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0407","0.0292","","","0.0836","0.1005","","","","","","1.119","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513004","9.87924","0.00019","12.1357","0.0003","12.7211","0.0003","116.174","0.002","96.5555","0.0018","92.0057","0.0018","1353.57","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu3 O21 Tb -","- C24 H21 Cu3 O21 Tb -","- C48 H42 Cu6 O42 Tb2 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0474","0.0433","","","0.1251","0.1276","","","","","","1.108","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513005","9.8558","0.0005","12.1424","0.0006","12.7113","0.0006","116.01","0.005","96.509","0.004","92.511","0.004","1350.85","0.13","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu3 Dy O21 -","- C24 H21 Cu3 Dy O21 -","- C48 H42 Cu6 Dy2 O42 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0448","0.0334","","","0.0678","0.0709","","","","","","1.001","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513006","11.5374","0.0004","12.9882","0.0004","14.0916","0.0005","62.648","0.004","83.193","0.003","80.362","0.003","1846.99","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu4 Eu2 O30 -","- C34 H24 Cu4 Eu2 O30 -","- C68 H48 Cu8 Eu4 O60 -","2","1","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","Two Types of Cu-Ln Heterometallic Coordination Polymers with 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2015","15","6","2883","","10.1021/acs.cgd.5b00327","","","0.71073","MoKα","","0.0488","0.0345","","","0.0695","0.0736","","","","","","1.049","","","","has coordinates","138059","2020-10-21","18:00:00",""
"4513007","7.00853","0.00019","14.2899","0.0004","14.7561","0.0005","109.521","0.003","92.258","0.002","101.047","0.002","1358.51","0.08","120","2","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br6 N8 O4 Re -","- C16 H22 Br6 N8 O4 Re -","- C32 H44 Br12 N16 O8 Re2 -","2","1","","Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.","Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts","Crystal Growth & Design","2015","15","6","2598","","10.1021/acs.cgd.5b00436","","","0.71073","MoKα","","0.0384","0.0291","","","0.0524","0.0555","","","","","","1.034","","","","has coordinates","138060","2020-10-21","18:00:00",""
"4513008","8.2613","0.0005","8.3131","0.0005","8.3431","0.0005","108.544","0.005","111.239","0.006","99.162","0.005","481.3","0.06","120.01","0.1","120","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 Br6 N4 O4 Re -","- C6 H16 Br6 N4 O4 Re -","- C6 H16 Br6 N4 O4 Re -","1","0.5","","Martínez-Lillo, José; Pedersen, Anders H.; Faus, Juan; Julve, Miguel; Brechin, Euan K.","Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts","Crystal Growth & Design","2015","15","6","2598","","10.1021/acs.cgd.5b00436","","","0.71073","MoKα","","0.0261","0.0233","","","0.0501","0.0515","","","","","","1.062","","","","has coordinates","138060","2020-10-21","18:00:00",""
"4513009","5.122","0.001","6.1827","0.0012","18.005","0.004","88.91","0.03","87.15","0.03","80.56","0.03","561.7","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H3 F13 O2 -","- C8 H3 F13 O2 -","- C16 H6 F26 O4 -","2","1","","Omorodion, Harrison; Twamley, Brendan; Platts, James A.; Baker, Robert J.","Further Evidence on the Importance of Fluorous‒Fluorous Interactions in Supramolecular Chemistry: A Combined Structural and Computational Study","Crystal Growth & Design","2015","15","6","2835","","10.1021/acs.cgd.5b00254","","","0.71073","MoKα","","0.0496","0.0479","","","0.1398","0.1415","","","","","","1.171","","","","has coordinates","138062","2020-10-21","18:00:00",""
"4513010","45.931","0.003","5.4147","0.0004","19.6834","0.0016","90","","108.222","0.005","90","","4649.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 F25 N3 -","- C16 H6 F25 N3 -","- C128 H48 F200 N24 -","8","1","","Omorodion, Harrison; Twamley, Brendan; Platts, James A.; Baker, Robert J.","Further Evidence on the Importance of Fluorous‒Fluorous Interactions in Supramolecular Chemistry: A Combined Structural and Computational Study","Crystal Growth & Design","2015","15","6","2835","","10.1021/acs.cgd.5b00254","","","1.54178","CuKα","","0.1013","0.0672","","","0.1736","0.1949","","","","","","1.04","","","","has coordinates","138062","2020-10-21","18:00:00",""
"4513011","16.3012","0.0002","16.5873","0.0002","17.1743","0.0002","90","","90","","90","","4643.81","0.1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H80 B24 N12 O79.23 V10 -","- C18 H80 B24 N12 O79.224 V10 -","- C36 H160 B48 N24 O158.448 V20 -","2","0.5","","Muñoz-Becerra, Karina; Hermosilla-Ibáñez, Patricio; Le Fur, Eric; Cador, Olivier; Paredes-García, Verónica; Spodine, Evgenia; Venegas-Yazigi, Diego","First Non-Centrosymmetric Deca-Vanadoborate with Borate Vacancies, Self-Assembled around a 1,3-Propanediammonium Cation","Crystal Growth & Design","2015","15","6","2561","","10.1021/acs.cgd.5b00102","","","0.71069","MoKα","","0.0689","0.0505","","","0.1359","0.1482","","","","","","1.051","","","","has coordinates","138063","2020-10-21","18:00:00",""
"4513012","8.0965","0.0002","20.7655","0.0008","8.645","0.0003","90","","99.261","0.003","90","","1434.52","0.08","293","","293","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0454","0.0412","","","0.1143","0.1179","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513013","8.2663","0.0004","13.2756","0.0006","16.3969","0.0007","80.078","0.004","77.538","0.004","87.524","0.004","1730.69","0.14","293","","293","","","","","","","","see text","5","P -1","-P 1","2","sulfamethizole:4-aminopyridine hemihydrate","","","- C14 H17 N6 O2.5 S2 -","- C14 H17 N6 O2.5 S2 -","- C56 H68 N24 O10 S8 -","4","2","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0684","0.0573","","","0.1561","0.171","","","","","","1.054","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4513014","9.3453","0.0004","10.8396","0.0004","18.5068","0.0008","90","","101.883","0.004","90","","1834.55","0.13","293","","293","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O4 S2 -","- C16 H17 N5 O4 S2 -","- C64 H68 N20 O16 S8 -","4","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0559","0.0483","","","0.1335","0.1439","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513015","5.7635","0.0003","14.2583","0.0006","16.1039","0.0008","81.266","0.004","81.295","0.004","79.045","0.004","1273.93","0.11","293","","293","","","","","","","","see text","5","P -1","-P 1","2","sulfamethizole sulfate","","","- C18 H22 N8 O8 S5 -","- C18 H22 N8 O8 S5 -","- C36 H44 N16 O16 S10 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0985","0.1027","","","","","","1.047","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4513016","5.8358","0.0005","14.2437","0.0014","16.2986","0.0017","81.747","0.008","81.388","0.008","79.17","0.008","1306.3","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 N8 O8 S4 Se -","- C18 H22 N8 O8 S4 Se -","- C36 H44 N16 O16 S8 Se2 -","2","1","","Thomas, Sajesh P.; Veccham, Srimukh Prasad K. P.; Farrugia, Louis J.; Guru Row, T. N.","“Conformational Simulation” of Sulfamethizole by Molecular Complexation and Insights from Charge Density Analysis: Role of Intramolecular S···O Chalcogen Bonding","Crystal Growth & Design","2015","15","5","2110","","10.1021/cg5016687","","","0.71073","MoKα","","0.089","0.0622","","","0.1365","0.1574","","","","","","1.0645","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513017","24.758","0.002","6.9874","0.0005","21.06","0.0012","90","","106.985","0.003","90","","3484.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O6 S2 -","- C32 H26 N4 O6 S2 -","- C128 H104 N16 O24 S8 -","4","0.5","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.0652","0.0469","","","0.1216","0.1308","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513018","13.1334","0.0003","22.787","0.0006","11.6864","0.0004","90","","104.874","0.001","90","","3380.21","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl2 N4 O6 S2 -","- C34 H30 Cl2 N4 O6 S2 -","- C136 H120 Cl8 N16 O24 S8 -","4","1","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.0578","0.0449","","","0.1104","0.1188","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513019","25.1534","0.0017","7.0022","0.0005","20.3283","0.0017","90","","106.073","0.003","90","","3440.4","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N6 O6 S2 -","- C36 H32 N6 O6 S2 -","- C144 H128 N24 O24 S8 -","4","0.5","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.15","0.0703","","","0.128","0.1607","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513020","16.3178","0.0006","22.6663","0.0011","11.7012","0.0008","90","","94.529","0.002","90","","4314.3","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O6 S2 -","- C32 H26 N4 O6 S2 -","- C128 H104 N16 O24 S8 -","4","1","","Suhonen, Aku; Morgan, Ian S.; Nauha, Elisa; Helttunen, Kaisa; Tuononen, Heikki M.; Nissinen, Maija","Effect of a Rigid Sulfonamide Bond on Molecular Folding: A Case Study","Crystal Growth & Design","2015","15","6","2602","","10.1021/acs.cgd.5b00424","","","1.54178","CuKα","","0.1211","0.0712","","","0.2113","0.2572","","","","","","1.0259","","","","has coordinates","171415","2020-10-21","18:00:00",""
"4513021","9.04","0.005","18.306","0.005","21.435","0.005","90","0.005","95.24","0.005","90","0.005","3532","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Eu4 H16 O44 P9 -","- Eu4 H16 O44 P9 -","- Eu16 H64 O176 P36 -","4","0.5","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0281","0.0257","","","0.0588","0.0601","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513022","8.965","0.005","18.187","0.005","21.316","0.005","90","0.005","95.672","0.005","90","0.005","3458","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Dy4 H16 O44 P9 -","- Dy4 H16 O44 P9 -","- Dy16 H64 O176 P36 -","4","0.5","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0424","0.0327","","","0.0731","0.0775","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513023","6.556","0.005","18.68","0.005","8.69","0.005","90","0.005","97.286","0.005","90","0.005","1055.6","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Gd H10 O13 P2 -","- Gd H10 O13 P2 -","- Gd4 H40 O52 P8 -","4","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Halder, Ritesh; Maji, Tapas Kumar; Chandrasekhar, Vadapalli","P‒C Bond Cleavage-Assisted Lanthanide Phosphate Coordination Polymers","Crystal Growth & Design","2015","15","6","2555","","10.1021/cg5017005","","","0.71069","MoKα","","0.0569","0.0546","","","0.1268","0.1287","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513024","23.59331","0.00044","13.84586","0.00028","6.80104","0.0001","90","","95.1952","0.0017","90","","2212.57","0.07","303","","303","","0","","0","","","","","6","P 1 21/a 1","-P 2yab","14","Thecotrichite","","","- C6 H21 Ca3 Cl N2 O18 -","- C6 Ca3 Cl N2 O18 -","- C24 Ca12 Cl4 N8 O72 -","4","1","","Wahlberg, Nanna; Runčevski, Tomče; Dinnebier, Robert E.; Fischer, Andrea; Eggert, Gerhard; Iversen, Bo B.","Crystal Structure of Thecotrichite, an Efflorescent Salt on Calcareous Objects Stored in Wooden Cabinets","Crystal Growth & Design","2015","15","6","2795","","10.1021/acs.cgd.5b00197","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.97277","","","","","","","has coordinates","287887","2023-11-30","13:27:20",""
"4513025","13.8342","0.0004","22.8608","0.0005","7.8578","0.0002","90","","90","","90","","2485.11","0.11","140","2","140","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C26 H33 N O6 -","- C26 H33 N O6 -","- C104 H132 N4 O24 -","4","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0552","0.0413","","","0.0908","0.0988","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513026","7.8582","0.0002","22.8598","0.0005","13.8341","0.0005","90","","90.02","0.003","90","","2485.11","0.12","140","2","140","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H66 N2 O12 -","- C52 H66 N2 O12 -","- C104 H132 N4 O24 -","2","0.5","","Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan","Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine","Crystal Growth & Design","2015","15","6","2817","","10.1021/acs.cgd.5b00251","","","0.71073","MoKα","","0.0928","0.0693","","","0.1558","0.197","","","","","","1.737","","","","has coordinates","138061","2020-10-21","18:00:00",""
"4513027","7.2425","0.0008","15.4541","0.0017","17.01","0.0018","90","","90","","90","","1903.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing","Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles","ACS Catalysis","2015","5","6","3700","","10.1021/acscatal.5b00680","","","0.71073","MoKα","","0.0515","0.0378","","","0.0836","0.0885","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513028","9.4814","0.0008","10.765","0.0009","13.9827","0.0011","111.406","0.002","92.343","0.002","99.301","0.002","1303.49","0.19","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H B Br3 F18 N6 Tl -","- C15 H B Br3 F18 N6 Tl -","- C30 H2 B2 Br6 F36 N12 Tl2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0451","0.042","","","0.1142","0.1165","","","","","","1.032","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513029","21.9569","0.0012","16.6067","0.001","17.0174","0.0009","90","","105.863","0.002","90","","5968.8","0.6","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H4 B Br3 Cu F18 N7 -","- C17 H4 B Br3 Cu F18 N7 -","- C136 H32 B8 Br24 Cu8 F144 N56 -","8","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0975","0.0611","","","0.1705","0.1895","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513030","9.5396","0.0011","12.6988","0.0015","12.9452","0.0016","100.867","0.003","94.371","0.003","98.592","0.003","1514","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H9 Ag B Br3 F18 N6 O -","- C19 H9 Ag B Br3 F18 N6 O -","- C38 H18 Ag2 B2 Br6 F36 N12 O2 -","2","1","","Gava, Riccardo; Olmos, Andrea; Noverges, Bárbara; Varea, Teresa; Álvarez, Eleuterio; Belderrain, Tomás R.; Caballero, Ana; Asensio, Gregorio; Pérez, Pedro J.","Discovering Copper for Methane C‒H Bond Functionalization","ACS Catalysis","2015","5","6","3726","","10.1021/acscatal.5b00718","","","0.71073","MoKα","","0.0912","0.0626","","","0.1352","0.2075","","","","","","1.081","","","","has coordinates","140055","2020-10-21","18:00:00",""
"4513031","5.1601","0.0005","7.4276","0.0005","8.5686","0.0007","81.465","0.004","86.299","0.006","78.209","0.005","317.72","0.05","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H11 N2 O2 -","- C4 H11 N2 O2 -","- C8 H22 N4 O4 -","2","1","","Zhou, Yating; Guo, Fang; Hughes, Colan E.; Browne, Duncan L.; Peskett, Thomas R.; Harris, Kenneth D. M.","Discovery of New Metastable Polymorphs in a Family of Urea Co-Crystals by Solid-State Mechanochemistry","Crystal Growth & Design","2015","15","6","2901","","10.1021/acs.cgd.5b00331","powder diffraction","x-ray","1.5406","","","","","","","","","0.1278","","1.44","","","","","","","has coordinates","138041","2020-10-21","18:00:00",""
"4513032","13.235","0.003","9.53","0.0019","30.364","0.006","90","","91.23","0.03","90","","3828.9","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 Cl4 Hg N2 O2.5 -","- C35.98 H44 Cl4 Hg N2 O2.59 -","- C143.92 H176 Cl16 Hg4 N8 O10.36 -","4","1","","Guo, Fang; Wang, Xu; Guan, Hong-yu; Yu, Hai-bin; Li, Lei; Chen, Shan-shan; Famulari, Antonino; Martí-Rujas, Javier","Tuning the Inclusion Properties and Solid-State Reactivity of Second Sphere Adducts Using Conformationally Flexible Bidentate Ligands","Crystal Growth & Design","2015","15","6","2842","","10.1021/acs.cgd.5b00272","","","0.71073","MoKα","","0.0657","0.0566","","","0.133","0.139","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513033","9.3246","0.0006","19.2529","0.0012","20.0677","0.0012","90","","91.49","0.002","90","","3601.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl4 Hg N3 O -","- C34 H41 Cl4 Hg N3 O -","- C136 H164 Cl16 Hg4 N12 O4 -","4","1","","Guo, Fang; Wang, Xu; Guan, Hong-yu; Yu, Hai-bin; Li, Lei; Chen, Shan-shan; Famulari, Antonino; Martí-Rujas, Javier","Tuning the Inclusion Properties and Solid-State Reactivity of Second Sphere Adducts Using Conformationally Flexible Bidentate Ligands","Crystal Growth & Design","2015","15","6","2842","","10.1021/acs.cgd.5b00272","","","1.54178","CuKα","","0.0239","0.0236","","","0.0636","0.064","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513034","12.1614","0.0016","8.1562","0.0011","16.023","0.002","90","","97.417","0.002","90","","1576","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang","Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties","Crystal Growth & Design","2015","15","7","3332","","10.1021/acs.cgd.5b00429","","","0.71073","MoKα","","0.0362","0.0337","","","0.0964","0.0991","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513035","21.224","0.0007","11.4366","0.0005","34.4862","0.001","90","","89.876","0.003","90","","8370.8","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 O4 -","- C48 H64 O4 -","- C384 H512 O32 -","8","2","","Liu, Kuojin; Qiu, Feng; Yang, Chongqing; Tang, Ruizhi; Fu, Yubin; Han, Sheng; Zhuang, Xiaodong; Mai, Yiyong; Zhang, Fan; Feng, Xinliang","Nonplanar Ladder-Type Polycyclic Conjugated Molecules: Structures and Solid-State Properties","Crystal Growth & Design","2015","15","7","3332","","10.1021/acs.cgd.5b00429","","","1.54178","CuKα","","0.2313","0.166","","","0.4079","0.477","","","","","","1.495","","","","has coordinates,has disorder","140064","2020-10-21","18:00:00",""
"4513036","6.238","0.002","8.098","0.002","18.502","0.004","78.4","0.03","86.55","0.03","78.71","0.03","897.6","0.4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.047","0.0442","","","0.1316","0.1349","","","","","","1.068","","","","has coordinates","152787","2020-10-21","18:00:00",""
"4513037","9.505","0.0019","18.014","0.004","11.178","0.002","90","","106.04","0.03","90","","1839.4","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C72 H88 Cu4 N8 O24 -","4","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.0476","0.044","","","0.1098","0.1119","","","","","","1.075","","","","has coordinates","152787","2020-10-21","18:00:00",""
"4513038","19.824","0.004","17.458","0.004","14.066","0.003","90","","114.58","0.03","90","","4427","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Cu N3 O6.5 -","- C21 H27 Cu N3 O6.5 -","- C168 H216 Cu8 N24 O52 -","8","1","","Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; Turner, David R.; Batten, Stuart R.","Modulating Porosity through Conformer-Dependent Hydrogen Bonding in Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","7","3417","","10.1021/acs.cgd.5b00502","","","0.7109","Synchrotron","","0.0672","0.0595","","","0.1722","0.1792","","","","","","1.032","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513039","15.794","0.005","41.582","0.005","17.323","0.005","90","0.005","101.674","0.005","90","0.005","11141","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H139 Co2 Gd4 N5 O29 -","- C86 H139 Co2 Gd4 N5 O29 -","- C344 H556 Co8 Gd16 N20 O116 -","4","1","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.0932","0.0715","","","0.1987","0.2232","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513040","15.791","0.005","21.888","0.005","17.177","0.005","90","0.005","99.201","0.005","90","0.005","5861","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C84 H138 Co2 N4 O29 Tb4 -","- C84 H138 Co2 N4 O29 Tb4 -","- C168 H276 Co4 N8 O58 Tb8 -","2","0.5","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.0789","0.049","","","0.1054","0.1174","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513041","15.711","0.005","41.655","0.005","17.212","0.005","90","0.005","100.778","0.005","90","0.005","11066","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H138 Co2 Dy4 N4 O29 -","- C84 H138 Co2 Dy4 N4 O29 -","- C336 H552 Co8 Dy16 N16 O116 -","4","1","","Goura, Joydeb; Chakraborty, Amit; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Hexanuclear 3d‒4f Neutral CoII2LnIII4Clusters: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2015","15","7","3157","","10.1021/acs.cgd.5b00588","","","0.71069","MoKα","","0.1058","0.0839","","","0.1764","0.1838","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513042","3.6371","0.0011","36.541","0.011","6.564","0.002","90","","94.998","0.003","90","","869.1","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2(Pyrazinamide).(4-nitrobenzoic acid)","","- C17 H15 N7 O6 -","- C17 H15 N7 O6 -","- C34 H30 N14 O12 -","2","1","","Abourahma, Heba; Shah, Dhaval D.; Melendez, Jesus; Johnson, Elizabeth J.; Holman, K. Travis","A Tale of Two Stoichiometrically Diverse Cocrystals","Crystal Growth & Design","2015","15","7","3101","","10.1021/acs.cgd.5b00357","","x-ray","0.71073","MoKα","","0.045","0.0388","","","0.084","0.0921","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513043","8.7507","0.0006","10.3497","0.0005","14.1618","0.0009","79.212","0.004","73.228","0.005","77.234","0.005","1187.17","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N4 O5 Ru S -","- C24 H20 N4 O5 Ru S -","- C48 H40 N8 O10 Ru2 S2 -","2","1","","Wang, Ying; Duan, Lele; Wang, Lei; Chen, Hong; Sun, Junliang; Sun, Licheng; Ahlquist, Mårten S. G.","Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex","ACS Catalysis","2015","5","7","3966","","10.1021/acscatal.5b00496","","","0.71073","MoKα","","0.0752","0.0559","","","0.1382","0.1471","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513044","9.25","0.003","10.543","0.003","21.668","0.006","84.919","0.007","89.766","0.007","81.66","0.007","2082.5","1.1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H57 Cl F N2 O3 P Ru -","- C45 H57 Cl F N2 O3 P Ru -","- C90 H114 Cl2 F2 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.057","","","","0.1536","","","","","","0.9","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513045","9.123","0.004","10.569","0.005","21.751","0.009","94.901","0.012","90.209","0.013","99.166","0.01","2062.6","1.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H57 F2 N2 O3 P Ru -","- C45 H57 F2 N2 O3 P Ru -","- C90 H114 F4 N4 O6 P2 Ru2 -","2","1","","Guidone, Stefano; Songis, Olivier; Falivene, Laura; Nahra, Fady; Slawin, Alexandra M. Z.; Jacobsen, Heiko; Cavallo, Luigi; Cazin, Catherine S. J.","Ruthenium Olefin Metathesis Catalysts Containing Fluoride","ACS Catalysis","2015","5","7","3932","","10.1021/acscatal.5b00219","","","0.71075","MoKα","","","0.0601","","","","0.1718","","","","","","0.852","","","","has coordinates","140054","2020-10-21","18:00:00",""
"4513046","25.482","0.007","12.452","0.004","16.03","0.005","90","","103.144","0.006","90","","4953","3","496","2","496","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H100 N4 O16 Zn4 -","- C116 H100 N4 O16 Zn4 -","- C232 H200 N8 O32 Zn8 -","2","0.5","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0796","0.0634","","","0.1601","0.167","","","","","","1.087","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513047","25.8026","0.0013","12.3472","0.0005","15.9123","0.0007","90","","105.476","0.002","90","","4885.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H96 F4 N4 O16 Zn4 -","- C116 H96 F4 N4 O16 Zn4 -","- C232 H192 F8 N8 O32 Zn8 -","2","0.5","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0659","0.0419","","","0.0902","0.098","","","","","","1.027","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513048","25.8026","0.0013","12.3472","0.0005","15.9123","0.0007","90","","105.476","0.002","90","","4885.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 F2 N2 O8 Zn2 -","- C58 H48 F2 N2 O8 Zn2 -","- C232 H192 F8 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.066","0.042","","","0.085","0.0915","","","","","","1.095","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513049","25.635","0.007","12.264","0.003","16.391","0.004","90","","104.731","0.004","90","","4984","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 F2 N2 O8 Zn2 -","- C58 H48 F2 N2 O8 Zn2 -","- C232 H192 F8 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0659","0.0467","","","0.1068","0.1144","","","","","","1.027","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513050","25.435","0.007","12.468","0.004","16.225","0.005","90","","102.559","0.007","90","","5022","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H50 N2 O8 Zn2 -","- C58 H50 N2 O8 Zn2 -","- C232 H200 N8 O32 Zn8 -","4","1","","Medishetty, Raghavender; Bai, Zhaozhi; Yang, Hui; Wong, Ming Wah; Vittal, Jagadese J.","Influence of Fluorine Substitution on the Unusual Solid-State [2 + 2] Photo-Cycloaddition Reaction between an Olefin and an Aromatic Ring","Crystal Growth & Design","2015","15","8","4055","","10.1021/acs.cgd.5b00664","","","0.71073","MoKα","","0.0592","0.0444","","","0.111","0.1177","","","","","","1.051","","","","has coordinates,has disorder","154555","2020-10-21","18:00:00",""
"4513051","10.8946","0.0004","13.5002","0.0005","15.8851","0.0006","91.327","0.002","90.019","0.002","90.977","0.002","2335.4","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C70 . 2 (C6Br6) . C7H8","","","- C83 H8 Br6 -","- C83 H8 Br6 -","- C166 H16 Br12 -","2","1","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.7749","synchrotron","","0.0509","0.0359","","","0.0977","0.105","","","","","","1.019","","","","has coordinates","137766","2020-10-21","18:00:00",""
"4513052","10.1941","0.0011","13.0528","0.0013","34.839","0.004","92.7676","0.0015","91.2288","0.0015","93.6104","0.0015","4619.7","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C70 . C6Br6 . C6H6","","","- C82 H6 Br6 -","- C82 H6 Br6 -","- C328 H24 Br24 -","4","2","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.7749","synchroton","","0.0776","0.0591","","","0.1648","0.1779","","","","","","1.018","","","","has coordinates,has disorder","137766","2020-10-21","18:00:00",""
"4513053","10.62","0.007","22.401","0.014","10.652","0.007","90","","92.62","0.009","90","","2531","3","90","2","90","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","C70 . 2 C6H2Br4 . CS2","","","- C83 H4 Br8 S2 -","- C83 H4 Br8 S2 -","- C166 H8 Br16 S4 -","2","0.5","","Ghiassi, Kamran B.; Wescott, Joseph; Chen, Susanne Y.; Balch, Alan L.; Olmstead, Marilyn M.","Waves of Halogen‒Halogen Bond Formation in the Cocrystallization of Hexabromobenzene and 1,2,4,5-Tetrabromobenzene with C70","Crystal Growth & Design","2015","15","5","2480","","10.1021/acs.cgd.5b00256","","","0.71073","MoKα","","0.0646","0.0524","","","0.1306","0.1367","","","","","","1.076","","","","has coordinates","137766","2020-10-21","18:00:00",""
"4513054","10.2006","0.0012","13.4104","0.0016","9.2068","0.0011","90","","92.497","0.002","90","","1258.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","b-mCyPU","1,3-bis(m-cyanophenyl)urea","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0937","0.0451","","","0.087","0.0959","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513055","14.978","0.002","10.0785","0.0014","18.541","0.003","90","","103.338","0.001","90","","2723.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-biscyano diphenyl urea/TPPO","","","- C33 H25 N4 O2 P -","- C33 H25 N4 O2 P -","- C132 H100 N16 O8 P4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0472","0.0418","","","0.1285","0.1321","","","","","","1.166","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513056","8.1587","0.0009","14.4326","0.0015","10.5651","0.0011","90","","90.124","0.001","90","","1244.1","0.2","100","","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","e-mCyPU","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","0.5","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0349","0.033","","","0.089","0.0907","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513057","5.021","0.004","15.393","0.011","8.631","0.006","90","","95.052","0.009","90","","664.5","0.8","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","mCyPU-H2O-II","N,N'-bis(3-Cyanophenyl)urea monohydrate","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.1892","0.0704","","","0.1318","0.1806","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513058","4.7645","0.0009","30.785","0.006","8.76","0.0017","90","","91.94","0.002","90","","1284.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","g-mCyPU","1,3-bis(m-cyanophenyl)urea","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Capacci-Daniel, Christina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Heyrana, Katrina; Khatri, Natasha M.; Solomos, Marina A.; Swift, Jennifer A.","Structural Diversity in 1,3-Bis(m-cyanophenyl)urea","Crystal Growth & Design","2015","15","5","2373","","10.1021/acs.cgd.5b00168","","","0.71073","MoKα","","0.0661","0.0453","","","0.1119","0.1285","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513059","16.98325","0.00054","8.4671","0.00024","7.93214","0.0002","90","","90","","90","","1140.63","0.06","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-cd(ii)","","- C11 H14 Cd N4 -","- C11 H14 Cd N4 -","- C44 H56 Cd4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513060","9.57055","0.0007","14.5579","0.0014","7.11071","0.0006","90","","118.259","0.0035","90","","872.64","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-(bis(4-pyrazolato)methane)-zn(ii)","","- C7 H6 N4 Zn -","- C7 H6 N4 Zn -","- C28 H24 N16 Zn4 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137776","2020-10-21","18:00:00",""
"4513061","8.89432","0.00075","12.1851","0.0017","7.28369","0.00091","90","","90","","90","","789.39","0.16","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","catena-(bis(4-pyrazolato)methane)-cu(ii)","","- C7 H6 Cu N4 -","- C7 H6 Cu N4 -","- C28 H24 Cu4 N16 -","4","0.25","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","204123","2020-10-21","18:00:00",""
"4513062","14.77452","0.00098","15.246","0.0011","9.30985","0.00069","90","","79.5039","0.0058","90","","2062","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","catena-(bis(4-pyrazolato)methane)-cd(ii)","","- C14 H12 Cd2 N8 -","- C14 H12 Cd2 N8 -","- C56 H48 Cd8 N32 -","4","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137778","2020-10-21","18:00:00",""
"4513063","17.9734","0.00043","17.21788","0.0004","7.95298","0.00035","90","","90","","90","","2461.16","0.14","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-bis-cu(i)","","- C11 H14 Cu2 N4 -","- C11 H14 Cu2 N4 -","- C88 H112 Cu16 N32 -","8","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137779","2020-10-21","18:00:00",""
"4513064","9.57312","0.00071","14.3834","0.0011","7.0945","0.00052","90","","117.792","0.0038","90","","864.18","0.12","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-(bis(4-pyrazolato)methane)-co(ii)","","- C7 H6 Co N4 -","- C7 H6 Co N4 -","- C28 H24 Co4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137780","2020-10-21","18:00:00",""
"4513065","15.21594","0.0004","9.06114","0.00031","7.75331","0.00024","90","","90","","90","","1068.98","0.06","298","","298","","","","","","","","","4","P c c 2","P 2 -2c","27","","catena-1,4-bis-4'-(3',5'-dimethyl-pyrazolato)biphenyl-cd(ii)","","- C22 H20 Cd N4 -","- C22 H20 Cd N4 O2 -","- C44 H40 Cd2 N8 O4 -","2","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513066","18.60188","0.00063","18.60188","0.00063","7.27449","0.00048","90","","90","","90","","2517.2","0.2","298","","298","","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","catena-1,4-bis-4'-(3',5'-dimethyl)-pyrazolato-benzene-co(ii)","","- C16 H16 Co N4 -","- C16 H16 Co N4 -","- C64 H64 Co4 N16 -","4","","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513067","9.25232","0.00063","9.25232","0.00063","13.4487","0.0012","90","","90","","90","","1151.28","0.15","298","","298","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-co(ii)","","- C11 H14 Co N4 -","- C11 H14 Co N4 -","- C44 H56 Co4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513068","8.594","0.0008","8.594","0.0008","12.4441","0.0005","90","","90","","120","","795.95","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 62 2 2","P 62 2 (0 0 4)","180","","Poly{ammonium[bis(mu-oxalato-k2O,O':k2O'',O''')scandate(III)]}","","- C4 H4 N O8 Sc -","- C4 H4 N O8 Sc -","- C12 H12 N3 O24 Sc3 -","3","0.25","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Wright, Paul A.; Sneddon, Scott; Ashbrook, Sharon E.","Exploiting Synthetic Conditions to Promote Structural Diversity within the Scandium(III)/Pyrimidine-4,6-dicarboxylate System","Crystal Growth & Design","2015","15","5","2352","","10.1021/acs.cgd.5b00154","","","0.71073","MoKα","","0.1142","0.1106","","","0.3226","0.3258","","","","","","1.147","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513069","10.1762","0.001","10.6463","0.0008","13.0417","0.0009","108.469","0.007","102.963","0.008","107.069","0.008","1200.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole-2,5-Dihydroxybenzoic acid","Clotrimazole-2,5-Dihydroxybenzoic acid","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C58 H46 Cl2 N4 O8 -","2","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.0775","0.0504","","","0.1116","0.1251","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513070","12.4974","0.0017","14.527","0.002","17.789","0.002","90","","96.028","0.002","90","","3211.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotrimazole-Caffeic acid-anisole","Clotrimazole-Caffeic acid-anisole","","- C39 H32 Cl N2 O5 -","- C39 H32 Cl N2 O5 -","- C156 H128 Cl4 N8 O20 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.084","0.0754","","","0.2285","0.2375","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513071","8.73","0.0009","9.6543","0.0009","13.2542","0.0013","74.48","0.009","84.281","0.008","85.466","0.008","1069.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole-Adipic acid","Clotrimazole-Adipic acid","","- C25 H22 Cl N2 O2 -","- C25 H22 Cl N2 O2 -","- C50 H44 Cl2 N4 O4 -","2","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.199","0.0585","","","0.0641","0.0831","","","","","","0.776","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4513072","12.0214","0.0014","13.8128","0.0016","15.9926","0.0018","90","","97.934","0.002","90","","2630.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Clotrimazole-2,4,6-Trihydroxybenzoic acid","Clotrimazole-2,4,6-Trihydroxybenzoic acid","","- C29 H23 Cl N2 O5 -","- C29 H23 Cl N2 O5 -","- C116 H92 Cl4 N8 O20 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.1542","0.0827","","","0.1378","0.1615","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513073","6.2423","0.0002","11.5747","0.0003","12.7785","0.0004","90","","101.78","0.003","90","","903.84","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C33 Polymorph I","","","- C9 H7 N S2 -","- C9 H7 N S2 -","- C36 H28 N4 S8 -","4","1","","Carletta, Andrea; Meinguet, Céline; Wouters, Johan; Tilborg, Anaëlle","Solid-State Investigation of Polymorphism and Tautomerism of Phenylthiazole-thione: A Combined Crystallographic, Calorimetric, and Theoretical Survey","Crystal Growth & Design","2015","15","5","2461","","10.1021/acs.cgd.5b00237","","","1.54184","CuKα","","0.0307","0.0276","","","0.0735","0.0767","","","","","","1.062","","","","has coordinates","137789","2020-10-21","18:00:00",""
"4513074","34.675","0.003","34.675","0.003","4.095","0.0004","90","","90","","120","","4264","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H7 N S2 -","- C9 H7 N S2 -","- C162 H126 N18 S36 -","18","1","","Carletta, Andrea; Meinguet, Céline; Wouters, Johan; Tilborg, Anaëlle","Solid-State Investigation of Polymorphism and Tautomerism of Phenylthiazole-thione: A Combined Crystallographic, Calorimetric, and Theoretical Survey","Crystal Growth & Design","2015","15","5","2461","","10.1021/acs.cgd.5b00237","","","0.71073","MoKα","","0.0637","0.046","","","0.1282","0.1408","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513075","8.3797","0.0003","10.5524","0.0003","13.0609","0.0004","81.4929","0.0012","84.0073","0.0013","75.1622","0.0012","1101.45","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N5 S -","- C12 H8 N5 S -","- C48 H32 N20 S4 -","4","2","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0575","0.0412","","","0.1024","0.1116","","","","","","1.015","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513076","11.384","0.0006","10.7358","0.0006","17.9318","0.0009","90","","98.461","0.003","90","","2167.7","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N6 S6 -","- C20 H12 N6 S6 -","- C80 H48 N24 S24 -","4","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0938","0.0462","","","0.0996","0.1146","","","","","","1.024","","","","has coordinates,has disorder","137792","2020-10-21","18:00:00",""
"4513077","9.3997","0.0012","4.2844","0.0005","14.2053","0.0016","90","","91.627","0.004","90","","571.85","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 N3 O S3 -","- C10 H7 N3 O S3 -","- C20 H14 N6 O2 S6 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0616","0.0419","","","0.0841","0.0925","","","","","","1.089","","","","has coordinates,has disorder","137793","2020-10-21","18:00:00",""
"4513078","6.4045","0.0003","7.617","0.0004","12.4324","0.0006","82.682","0.002","82.181","0.002","76.697","0.002","581.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 N5 O S -","- C12 H9 N5 O S -","- C24 H18 N10 O2 S2 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0785","0.0575","","","0.1618","0.1751","","","","","","1.06","","","","has coordinates","137794","2020-10-21","18:00:00",""
"4513079","9.9574","0.0003","12.1849","0.0003","16.3791","0.0004","110.482","0.0016","92.7861","0.0017","97.4104","0.0017","1836.67","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Br5 N12 S2 -","- C31 H27 Br5 N12 S2 -","- C62 H54 Br10 N24 S4 -","2","1","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0652","0.0347","","","0.0721","0.0805","","","","","","1.008","","","","has coordinates","137795","2020-10-21","18:00:00",""
"4513080","13.5657","0.0003","7.7176","0.0002","17.8819","0.0004","90","","100.79","0.0015","90","","1839.04","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br10 N10 S2 -","- C24 H20 Br10 N10 S2 -","- C48 H40 Br20 N20 S4 -","2","0.5","","Yutronkie, Nathan J.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","1,2,4,6-Thiatriazinyl Radicals and Dimers: Structural and Electronic Tuning through Heteroaromatic Substituent Modification","Crystal Growth & Design","2015","15","5","2524","","10.1021/acs.cgd.5b00296","","","0.71073","MoKα","","0.0653","0.0388","","","0.0957","0.108","","","","","","1.024","","","","has coordinates","137796","2020-10-21","18:00:00",""
"4513081","9.424","0.002","10.634","0.002","9.4807","0.0018","90","","98.611","0.016","90","","939.4","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Li2 N4 O4 -","- C16 H22 Li2 N4 O4 -","- C32 H44 Li4 N8 O8 -","2","1","","Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui","Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework","Crystal Growth & Design","2015","15","5","2550","","10.1021/acs.cgd.5b00358","","","0.71073","MoKα","","0.1795","0.0733","","","0.1364","0.1762","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513082","7.1555","0.0002","12.4238","0.0003","11.7575","0.0003","90","","91.782","0.001","90","","1044.72","0.05","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Li2 N2 O6 -","- C18 H24 Li2 N2 O6 -","- C36 H48 Li4 N4 O12 -","2","0.5","","Shimazu, Matthew S.; Zhao, Xiang; Huynh, Duc Minh; Bu, Xianhui","Charge-Complementary-Ligands Directed Assembly of a Lithium Dimer into a Three-Dimensional Porous Framework","Crystal Growth & Design","2015","15","5","2550","","10.1021/acs.cgd.5b00358","","","0.71073","MoKα","","0.0656","0.0546","","","0.1569","0.1671","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513083","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90","","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.834 N1.834 O4.166 -","- C16 H39.336 N7.336 O16.664 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0284","0.0268","","","0.0702","0.0711","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513084","5.5668","0.0009","11.706","0.002","9.7862","0.0017","90","","90.323","0.008","90","","637.71","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.65 N3.65 O8.35 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.032","0.0292","","","0.0736","0.0752","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513085","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90.12","0.008","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.633 N3.633 O8.367 -","- C16 H39.266 N7.266 O16.734 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0326","0.0296","","","0.074","0.0759","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513086","9.7862","0.0017","5.5668","0.0009","11.706","0.002","90","","90.048","0.009","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.8185 N1.8185 O4.1815 -","- C16 H39.274 N7.274 O16.726 -","4","2","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0334","0.0306","","","0.077","0.0788","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513087","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90.048","0.009","90.12","0.008","90.323","0.008","637.71","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.8265 N1.8265 O4.1735 -","- C16 H39.306 N7.306 O16.694 -","4","4","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0372","0.0323","","","0.0792","0.0822","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513088","9.779","0.002","11.699","0.002","5.5675","0.0012","90","","90","","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.823 N1.823 O4.177 -","- C16 H39.292 N7.292 O16.708 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0343","0.0328","","","0.0829","0.0838","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513089","5.5675","0.0012","9.779","0.002","11.699","0.002","90","","90.234","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.66 N3.66 O8.34 -","- C8 H19.652 N3.652 O8.348 -","- C16 H39.304 N7.304 O16.696 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0323","0.0295","","","0.074","0.0756","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513090","5.5675","0.0012","11.699","0.002","9.779","0.002","90","","90.215","0.01","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.63 N3.63 O8.37 -","- C8 H19.63 N3.63 O8.37 -","- C16 H39.26 N7.26 O16.74 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0363","","","0.0871","0.0889","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513091","9.779","0.002","5.5675","0.0012","11.699","0.002","90","","90.078","0.011","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H19.64 N3.64 O8.36 -","- C8 H19.644 N3.644 O8.356 -","- C16 H39.288 N7.288 O16.712 -","2","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0391","0.0362","","","0.0866","0.0885","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513092","5.5675","0.0012","9.779","0.002","11.699","0.002","90.078","0.011","90.234","0.01","90.215","0.01","636.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H39.27 N7.27 O16.73 -","- C16 H39.271 N7.271 O16.729 -","- C16 H39.271 N7.271 O16.729 -","1","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0362","0.0318","","","0.076","0.0788","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513093","8.1559","0.0011","11.6473","0.0011","14.3976","0.0016","110.607","0.002","101.531","0.002","93.725","0.001","1240.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 N4 O12 S2 Y -","- C21 H20 N4 O12 S2 Y -","- C42 H40 N8 O24 S4 Y2 -","2","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0808","0.0525","","","0.1067","0.122","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513094","9.6057","0.0012","22.766","0.003","11.7677","0.0015","90","","107.889","0.002","90","","2449","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N4 O11 S2 Y -","- C22 H14 N4 O11 S2 Y -","- C88 H56 N16 O44 S8 Y4 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0546","0.0442","","","0.1162","0.1242","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513095","12.8827","0.0009","8.2194","0.0006","23.9494","0.0016","90","","103.971","0.001","90","","2460.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 N4 O11 Pr S2 -","- C21 H11 N4 O11 Pr S2 -","- C84 H44 N16 O44 Pr4 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.037","0.0304","","","0.0692","0.0725","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513096","10.49","0.002","7.0119","0.0015","30.571","0.006","90","","96.552","0.003","90","","2234","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Ho2 N8 O20 S4 -","- C38 H30 Ho2 N8 O20 S4 -","- C76 H60 Ho4 N16 O40 S8 -","2","0.5","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0431","0.0389","","","0.0931","0.0957","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513097","10.4411","0.0008","6.9518","0.0006","30.305","0.002","90","","96.522","0.001","90","","2185.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H68 Er4 N16 O40 S8 -","- C76 H68 Er4 N16 O40 S8 -","- C76 H68 Er4 N16 O40 S8 -","1","0.25","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0354","0.0292","","","0.0613","0.0638","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513098","22.0274","0.0016","16.079","0.0016","15.3889","0.0012","90","","119.859","0.001","90","","4726.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 N8 O22 S4 Sm2 -","- C43 H34 N8 O22 S4 Sm2 -","- C172 H136 N32 O88 S16 Sm8 -","4","0.5","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0234","0.0212","","","0.0518","0.0531","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513099","22.1467","0.0018","16.1377","0.0013","15.4746","0.0013","90","","119.76","0.001","90","","4801.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H19 N4 O11 Pr S2 -","- C21.5 H19 N4 O11 Pr S2 -","- C172 H152 N32 O88 Pr8 S16 -","8","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0333","0.0273","","","0.0641","0.0674","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513100","9.7714","0.0008","22.9583","0.0017","11.5707","0.0009","90","","106.36","0.001","90","","2490.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 La N4 O11 S2 -","- C22 H18 La N4 O11 S2 -","- C88 H72 La4 N16 O44 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0385","0.0346","","","0.1206","0.1257","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513101","10.4285","0.0009","6.9527","0.0005","30.258","0.002","90","","96.426","0.001","90","","2180.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Dy N4 O10 S2 -","- C19 H17 Dy N4 O10 S2 -","- C76 H68 Dy4 N16 O40 S8 -","4","1","","Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin","Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand","Crystal Growth & Design","2015","15","5","2318","","10.1021/acs.cgd.5b00117","","","0.71073","MoKα","","0.0301","0.0252","","","0.0502","0.0523","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513102","6.589","0.003","7.514","0.003","9.181","0.004","66.435","0.005","82.25","0.006","79.808","0.006","409","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene Iodine","","- C10 H8 I4 N4 -","- C10 H8 I4 N4 -","- C10 H8 I4 N4 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0357","0.0332","","","0.0855","0.0876","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513103","6.6042","0.0011","8.0953","0.0014","13.127","0.002","106.487","0.003","98.862","0.003","95.887","0.003","656.95","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 3,5-dinitrobenzamide","","- C24 H18 N10 O10 -","- C24 H18 N10 O10 -","- C24 H18 N10 O10 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0597","0.0433","","","0.1223","0.1278","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513104","9.749","0.004","7.643","0.003","13.372","0.005","90","","109.464","0.005","90","","939.4","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridin-4-yl)diazene 1,2,4,5-benzenetetracarboxylic acid","","- C20 H14 N4 O8 -","- C20 H14 N4 O8 -","- C40 H28 N8 O16 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0718","0.0669","","","0.1662","0.1708","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513105","15.236","0.006","5.0195","0.0016","11.782","0.004","90","","112.679","0.005","90","","831.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-dibromdobenzene","","- C16 H8 Br2 F4 N4 -","- C16 H8 Br2 F4 N4 -","- C32 H16 Br4 F8 N8 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0603","0.0458","","","0.1062","0.1113","","","","","","0.948","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513106","8.059","0.004","9.776","0.004","10.885","0.004","94.425","0.005","106.298","0.005","113.321","0.006","738.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene Resorcinol","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.108","0.087","","","0.2343","0.246","","","","","","1.519","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513107","4.6825","0.0011","6.799","0.0015","23.173","0.005","90","","101.429","0.006","90","","723.1","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,2-di(pyridine-4-yl)diazene caynuric acid","","- C13 H11 N7 O3 -","- C13 H11 N7 O3 -","- C26 H22 N14 O6 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.1695","0.1158","","","0.2761","0.2973","","","","","","1.507","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513108","6.414","0.004","8.358","0.005","9.202","0.006","82.982","0.009","70.979","0.009","78.678","0.009","456.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H8 F4 I2 N4 -","- C16 H8 F4 I2 N4 -","- C16 H8 F4 I2 N4 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0368","0.0353","","","0.0946","0.0964","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513109","10.05","0.02","9.71","0.02","9","0.02","90","","100.22","0.04","90","","864","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(pyridine-4-yl)diazene 1,4-diiodotetrafluorobenzene","","- C16 H12 I2 N4 -","- C16 H12 I2 N4 -","- C32 H24 I4 N8 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0709","0.0668","","","0.165","0.1699","","","","","","1.34","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513110","5.3105","0.001","8.8507","0.0017","11.98","0.002","92.264","0.003","94.826","0.003","90.157","0.003","560.64","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(E)-1,2-di(pyridine-4-yl)diazene 1,6-diiodoperfluorohexane","","- C18 H10 F12 I2 N2 -","- C18 H10 F12 I2 N2 -","- C18 H10 F12 I2 N2 -","1","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0263","0.0253","","","0.0766","0.0774","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513111","8.6756","0.0014","6.7322","0.0011","19.923","0.003","90","","103.444","0.006","90","","1131.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C48 H40 N8 O12 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.0841","0.0723","","","0.1879","0.1981","","","","","","1.318","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513112","8.7577","0.0006","6.8083","0.0005","19.6624","0.0016","90","","105.338","0.007","90","","1130.61","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Ravat, Prince; SeethaLekshmi, Sunil; Biswas, Sharmita Nandy; Nandy, Purnendu; Varughese, Sunil","Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions","Crystal Growth & Design","2015","15","5","2389","","10.1021/acs.cgd.5b00183","","","0.71073","MoKα","","0.094","0.0437","","","0.0937","0.1071","","","","","","0.939","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513113","80.349","0.01","20.033","0.002","40.226","0.005","90","","112.804","0.001","90","","59688","12","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C264 H362 Ag22 N4 O18 -","- C264 H362 Ag22 N4 O18 -","- C2112 H2896 Ag176 N32 O144 -","8","1","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1355","0.082","","","0.2236","0.2687","","","","","","1.037","","","","has coordinates,has disorder","137827","2020-10-21","18:00:00",""
"4513114","21.6397","0.0016","41.645","0.003","41.752","0.003","90","","99.819","0.001","90","","37075","5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C320 H421 Ag21 O -","- C320 H421 Ag21 O -","- C1280 H1684 Ag84 O4 -","4","1","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.1195","0.0733","","","0.1832","0.2058","","","","","","1.034","","","","has coordinates,has disorder","137828","2020-10-21","18:00:00",""
"4513115","25.807","0.0009","25.807","0.0009","20.5657","0.001","90","","90","","90","","13696.8","0.9","150","2","150","2","","","","","","","","3","I -4","I -4","82","","","","- C256 H336 Ag16 -","- C256 H336 Ag16 -","- C512 H672 Ag32 -","2","0.25","","Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui","Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters","Crystal Growth & Design","2015","15","5","2505","","10.1021/acs.cgd.5b00286","","","0.71073","MoKα","","0.0912","0.0681","","","0.1889","0.2105","","","","","","1.041","","","","has coordinates,has disorder","137829","2020-10-21","18:00:00",""
"4513116","9.8182","0.0002","6.8037","0.0001","14.4194","0.001","90","","91.927","0.007","90","","962.67","0.07","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N16 O12 -","- C10 H6 N16 O12 -","- C20 H12 N32 O24 -","2","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0279","0.0268","","","0.0705","0.0713","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513117","9.6986","0.0002","7.2247","0.0001","11.4627","0.0008","90","","111.793","0.008","90","","745.78","0.07","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N14 O8 -","- C8 H4 N14 O8 -","- C16 H8 N28 O16 -","2","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0496","0.0434","","","0.0907","0.0963","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513118","7.5387","0.0002","7.8716","0.0002","7.9743","0.0006","75.469","0.005","76.759","0.005","73.514","0.005","432.84","0.04","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N18 O8 -","- C8 H8 N18 O8 -","- C8 H8 N18 O8 -","1","0.5","","Bennion, Jonathan C.; McBain, Andrew; Son, Steven F.; Matzger, Adam J.","Design and Synthesis of a Series of Nitrogen-Rich Energetic Cocrystals of 5,5′-Dinitro-2H,2H′-3,3′-bi-1,2,4-triazole (DNBT)","Crystal Growth & Design","2015","15","5","2545","","10.1021/acs.cgd.5b00336","","","1.54178","CuKα","","0.0438","0.0397","","","0.1123","0.1177","","","","","","1.116","","","","has coordinates","137832","2020-10-21","18:00:00",""
"4513119","9.5065","0.0008","9.5969","0.0008","11.3468","0.0009","101.917","0.001","108.179","0.001","95.805","0.001","946.95","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0712","0.0592","","","0.1528","0.1628","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513120","9.3609","0.001","10.1496","0.0011","10.7978","0.0012","70.359","0.001","81.101","0.001","63.085","0.001","861.54","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0615","0.0536","","","0.1601","0.1721","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513121","9.9458","0.0014","10.052","0.0014","10.5202","0.0015","78.222","0.002","68.714","0.002","81.881","0.002","956.8","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0557","0.045","","","0.1163","0.1252","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513122","9.1569","0.001","9.3909","0.001","28.384","0.003","90","","90","","90","","2440.8","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.1001","0.0456","","","0.0987","0.1283","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513123","8.3291","0.0007","9.2616","0.0008","24.507","0.002","90","","90","","90","","1890.5","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0507","0.0387","","","0.0966","0.1116","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513124","9.8643","0.0006","10.0722","0.0006","10.5475","0.0006","68.919","0.001","68.608","0.001","72.85","0.001","894.14","0.09","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C42 H42 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0473","0.0416","","","0.1139","0.1203","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513125","9.4778","0.0008","9.5824","0.0008","21.3616","0.0017","90","","95.225","0.001","90","","1932","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.06","0.0415","","","0.1035","0.1163","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513126","9.6906","0.0007","10.3503","0.0008","11.2066","0.0008","75.711","0.001","69.995","0.001","85.147","0.001","1023.53","0.13","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0554","0.0422","","","0.1133","0.1219","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513127","18.398","0.0011","13.5344","0.0008","18.976","0.0011","90","","108.007","0.001","90","","4493.7","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C216 H200 N8 O32 -","8","2","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0552","0.0406","","","0.1005","0.1094","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513128","6.3637","0.0005","12.4181","0.0009","14.4825","0.001","82.365","0.001","86.136","0.001","81.029","0.001","1119.18","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C54 H50 N2 O8 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0515","0.0413","","","0.1163","0.1306","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513129","8.5645","0.0008","10.2223","0.001","10.7797","0.0018","101.49","0.001","100.221","0.001","113.901","0.001","809.67","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0496","0.0442","","","0.1263","0.1322","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513130","25.558","0.002","5.7536","0.0006","18.2559","0.0018","90","","125.043","0.001","90","","2197.9","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0428","0.0363","","","0.0971","0.1023","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513131","16.919","0.003","19.726","0.004","18.066","0.004","90","","92.01","0.03","90","","6026","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Fe6 N4 O38 Y2 -","- C82 H152 Fe6 N4 O38 Y2 -","- C164 H304 Fe12 N8 O76 Y4 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.1434","0.0823","","","0.1842","0.2133","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513132","16.827","0.003","19.675","0.004","17.994","0.004","90","","92.11","0.03","90","","5953","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Fe6 Gd2 N4 O38 -","- C82 H152 Fe6 Gd2 N4 O38 -","- C164 H304 Fe12 Gd4 N8 O76 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0636","0.0488","","","0.118","0.1253","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513133","16.853","0.003","19.704","0.004","18.042","0.004","90","","92.08","0.03","90","","5987","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H152 Dy2 Fe6 N4 O38 -","- C82 H152 Dy2 Fe6 N4 O38 -","- C164 H304 Dy4 Fe12 N8 O76 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0728","0.0549","","","0.1236","0.131","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513134","16.929","0.003","19.741","0.004","18.083","0.004","90","","92.02","0.03","90","","6039","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H154 Fe6 N4 O38 Tb2 -","- C82 H154 Fe6 N4 O38 Tb2 -","- C164 H308 Fe12 N8 O76 Tb4 -","2","0.5","","Han, Song-De; Liu, Sui-Jun; Wang, Qing-Lun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Synthesis and Magnetic Properties of a Series of Octanuclear [Fe6Ln2] Nanoclusters","Crystal Growth & Design","2015","15","5","2253","","10.1021/acs.cgd.5b00024","","","0.71073","MoKα","","0.0887","0.0603","","","0.1283","0.1396","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513135","16.651","0.0016","9.5153","0.0007","18.0362","0.0013","90","","99.587","0.007","90","","2817.7","0.4","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","2","","Pfund, Laura Y.; Chamberlin, Brianna L.; Matzger, Adam J.","The Bioenhancer Piperine is at Least Trimorphic","Crystal Growth & Design","2015","15","5","2047","","10.1021/acs.cgd.5b00278","","","1.54187","CuKα","","0.0859","0.0588","","","0.1515","0.206","","","","","","1.2","","","","has coordinates","137835","2020-10-21","18:00:00",""
"4513136","13.7193","0.0004","51.6467","0.002","7.43071","0.0002","90","","90","","90","","5265.1","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","benperidol benzyl alcohol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one benzyl alcohol solvate","","- C29 H32 F N3 O3 -","- C29 H32 F N3 O3 -","- C232 H256 F8 N24 O24 -","8","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","powder diffraction","","1.54184","CuKα","","0.0787","","","","","","","","4.57","","","","","","","has coordinates","137836","2020-10-21","18:00:00",""
"4513137","5.565","0.0001","14.1256","0.0004","15.0478","0.0005","109.258","0.0013","90.9875","0.0013","100.071","0.002","1095.92","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","benperidol acetonitrile solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one acetonitrile solvate","","- C24 H27 F N4 O2 -","- C24 H27 F N4 O2 -","- C48 H54 F2 N8 O4 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.0696","0.046","","","0.1001","0.1126","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513138","5.4228","0.0003","14.6014","0.0008","14.8045","0.001","109.936","0.003","90.199","0.002","100.322","0.003","1081.5","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","benperidol ethyl acetate solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one ethyl acetate solvate","","- C24 H28 F N3 O3 -","- C24 H28 F N3 O3 -","- C48 H56 F2 N6 O6 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.113","0.0751","","","0.1734","0.1992","","","","","","1.03","","","","has coordinates","137838","2020-10-21","18:00:00",""
"4513139","11.0595","0.0003","9.3896","0.0002","20.4456","0.0006","90","","91.7206","0.0011","90","","2122.2","0.1","173","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F N3 O4 -","- C22 H28 F N3 O4 -","- C88 H112 F4 N12 O16 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71073","MoKα","","0.088","0.048","","0.297","0.196","0.196","","","1.36","1.243","1.243","1.219","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4513140","15.0684","0.0003","10.8602","0.0003","15.2555","0.0004","90","","117.635","0.0009","90","","2211.69","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benperidol ethanol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one ethanol solvate","","- C24 H30 F N3 O3 -","- C24 H30 F N3 O3 -","- C96 H120 F4 N12 O12 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.088","0.0543","","","0.124","0.1415","","","","","","1.028","","","","has coordinates","137840","2020-10-21","18:00:00",""
"4513141","36.7342","0.0007","5.58581","0.0001","23.6629","0.0005","90","","124.868","0.0008","90","","3983.71","0.14","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","benperidol hemihydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one hemihydrate","","- C22 H24 F N3 O2.5 -","- C22 H24 F N3 O2.5 -","- C176 H192 F8 N24 O20 -","8","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","powder diffraction","","1.54184","CuKα","","0.1203","","","","","","","","5.57","","","","","","","has coordinates","137841","2020-10-21","18:00:00",""
"4513142","15.1097","0.0004","10.72","0.0003","15.307","0.0005","90","","119.354","0.0013","90","","2161.04","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","benperidol methanol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one methanol solvate","","- C23 H28 F N3 O3 -","- C23 H28 F N3 O3 -","- C92 H112 F4 N12 O12 -","4","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","","","0.71069","MoKα","","0.1227","0.0644","","","0.164","0.1997","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513143","22.0954","0.0006","22.0954","0.0006","22.0954","0.0006","90","","90","","90","","10787.1","0.5","173","2","173","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C72 H72 B8 Cu6 N48 -","- C72 H72 B8 Cu6 N48 -","- C288 H288 B32 Cu24 N192 -","4","0.0416667","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1506","0.1083","","","0.3729","0.3998","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513144","18.9015","0.0002","18.9015","0.0002","31.6878","0.0006","90","","90","","90","","11321","0.3","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C216 H216 B8 Br Cu6 N48 O10 -","- C216 H168 B8 Br Cu6 N48 -","- C432 H336 B16 Br2 Cu12 N96 -","2","0.25","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","1.54178","CuKα","","0.1901","0.1245","","","0.3381","0.3768","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513145","20.1157","0.0005","20.1157","0.0005","59.6452","0.0018","90","","90","","120","","20901.5","1","173","2","173","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H72 B8 Cu6 I3 N48 -","- C72 H72 B8 Cu6 I3 N48 -","- C432 H432 B48 Cu36 I18 N288 -","6","0.333333","","Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian","Self-Assembly of Metal Boron Imidazolate Cages","Crystal Growth & Design","2015","15","5","2433","","10.1021/acs.cgd.5b00210","","","0.71073","MoKα","","0.1054","0.0659","","","0.1516","0.1692","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513146","7.6219","0.0004","9.3173","0.0005","10.5299","0.0006","65.05","0.006","85.345","0.004","66.686","0.005","619.33","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu2 N6 O -","- C24 H18 Cu2 N6 -","- C24 H18 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0385","0.0336","","","0.0884","0.0912","","","","","","1.065","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513147","7.9934","0.0006","8.3301","0.0007","10.115","0.0007","109.748","0.007","97.865","0.006","99.444","0.006","611.76","0.09","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cu2 N6 -","- C30 H18 Cu2 N6 -","- C30 H18 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0667","0.062","","","0.165","0.172","","","","","","1.125","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513148","7.7912","0.0005","9.5338","0.0007","9.9023","0.0004","93.423","0.005","95.079","0.004","111.742","0.006","677.12","0.08","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 Cu2 N6 -","- C34 H22 Cu2 N6 -","- C34 H22 Cu2 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0405","0.0378","","","0.1043","0.1069","","","","","","1.061","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513149","7.5063","0.0005","9.2925","0.0007","10.7697","0.0007","65.132","0.007","84.915","0.005","67.579","0.006","627.73","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(F4TCNQ)(2-picoline)2].MeCN","","","- C26 H17 Cu2 F4 N7 -","- C24 H14 Cu2 F4 N6 -","- C24 H14 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.034","0.03","","","0.0774","0.0791","","","","","","0.96","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513150","7.6593","0.0005","7.6693","0.0006","11.3462","0.0008","100.363","0.006","101.345","0.006","101.104","0.006","624.59","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(F4TCNQ)(2,6-lutidine)2]","","","- C26 H18 Cu2 F4 N6 -","- C26 H18 Cu2 F4 N6 -","- C26 H18 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0448","0.0375","","","0.0962","0.1008","","","","","","0.963","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513151","13.6794","0.0004","15.0604","0.0006","15.7902","0.0006","62.791","0.004","72.902","0.003","82.785","0.003","2765.1","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(PPh3)3]","","","- C66 H45 Cu2 F4 N4 P3 -","- C66 H45 Cu2 F4 N4 P3 -","- C132 H90 Cu4 F8 N8 P6 -","2","1","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0425","0.031","","","0.0699","0.0742","","","","","","0.898","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513152","19.5393","0.0004","7.3878","0.0001","23.8021","0.0005","90","","96.295","0.002","90","","3415.17","0.11","130.01","0.1","130.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 Cu2 N10 -","- C42 H26 Cu2 N10 -","- C168 H104 Cu8 N40 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0906","0.0843","","","0.2778","0.2814","","","","","","1.153","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513153","7.5403","0.0003","9.5112","0.0004","11.6339","0.0006","75.108","0.004","82.444","0.004","76.994","0.003","783.24","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu2 N8 O2 -","- C32 H20 Cu2 N8 O2 -","- C32 H20 Cu2 N8 O2 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0416","0.0401","","","0.1287","0.1305","","","","","","1.093","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513154","7.4366","0.0008","10.2836","0.0011","12.2532","0.0009","74.646","0.009","83.29","0.008","73.618","0.009","866.03","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","[Cu2(TCNQ)(phenanthroline)2].MeOH","","","- C37 H24 Cu2 N8 O -","- C37 H20 Cu2 N8 O -","- C37 H20 Cu2 N8 O -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0889","0.0851","","","0.2482","0.252","","","","","","1.116","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513155","25.521","0.004","9.907","0.0015","7.4027","0.0014","90","","90","","90","","1871.7","0.5","152.98","0.1","152.98","0.1","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C40 H40 Cu2 N8 O2 -","- C36 H28 Cu2 N8 -","- C72 H56 Cu4 N16 -","2","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0895","0.0671","","","0.1806","0.2095","","","","","","1.064","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513156","18.6921","0.0004","23.369","0.0006","22.3956","0.0006","90","","101.899","0.003","90","","9572.5","0.4","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 Cu6 N28 -","- C80 H120.44 Cu6 N28 -","- C320 H481.76 Cu24 N112 -","4","1","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0592","0.0412","","","0.1046","0.1195","","","","","","1.016","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513157","7.5552","0.0006","10.3372","0.0009","10.6344","0.001","66.564","0.009","82.474","0.007","78.086","0.007","744.51","0.12","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(quinoline)2].DMF","","","- C33 H21 Cu2 F4 N7 O -","- C30 H14 Cu2 F4 N6 -","- C30 H14 Cu2 F4 N6 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0339","0.0306","","","0.0854","0.0884","","","","","","1.079","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513158","10.2839","0.0005","17.1644","0.0007","11.0355","0.0007","90","","102.989","0.005","90","","1898.11","0.17","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cu2 N8 -","- C40 H56 Cu2 N8 -","- C80 H112 Cu4 N16 -","2","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0392","0.0323","","","0.0847","0.0894","","","","","","1.041","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513159","20.4237","0.0006","10.9154","0.0002","32.375","0.0007","90","","100.928","0.002","90","","7086.6","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu2(F4TCNQ)(PPh3)4]","","","- C84 H60 Cu2 F4 N4 P4 -","- C84 H60 Cu2 F4 N4 P4 -","- C336 H240 Cu8 F16 N16 P16 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","0.71073","MoKα","","0.0625","0.0536","","","0.1302","0.1335","","","","","","1.188","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513160","8.2544","0.0006","19.8024","0.0014","10.44","0.0007","90","","104.249","0.007","90","","1654","0.2","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cu2 N10 -","- C28 H38 Cu2 N10 -","- C56 H76 Cu4 N20 -","2","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0934","0.0715","","","0.1986","0.2149","","","","","","1.139","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513161","7.542","0.0015","13.738","0.003","16.532","0.003","90","","97.15","0.03","90","","1699.6","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cu2 N6 -","- C18 H12 Cu2 N6 -","- C72 H48 Cu8 N24 -","4","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","0.71073","Synchrotron","","0.0346","0.0337","","","0.0891","0.0896","","","","","","1.091","","","","has coordinates","137844","2020-10-21","18:00:00",""
"4513162","11.0071","0.0004","7.6667","0.0002","14.9346","0.0004","90","","103.846","0.003","90","","1223.68","0.07","250","0.1","250","0.1","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C34 H51 Cu2 N13 O8 -","- C20 H10 Cu2 N10 -","- C20 H10 Cu2 N10 -","1","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.0456","0.0415","","","0.1257","0.1296","","","","","","1.046","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513163","16.446","0.005","7.763","0.005","13.69","0.005","90","","94.214","0.005","90","","1743.1","1.4","130","2","130","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C30 H32 Br2 Cu2 N6 O2 S2 -","- C60 H64 Br4 Cu4 N12 O4 S4 -","2","0.25","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","x-ray","1.54184","CuKα","","0.031","0.0279","","","0.0708","0.0723","","","","","","1.106","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4513164","7.326","0.0007","9.4851","0.0011","12.2439","0.0011","75.849","0.008","80.341","0.007","77.374","0.009","799.13","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Cu2(F4TCNQ)(2,2'-bpy)2].2MeOH","","","- C34 H24 Cu2 F4 N8 O2 -","- C34 H16 Cu2 F4 N8 O2 -","- C34 H16 Cu2 F4 N8 O2 -","1","0.5","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.","New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers","Crystal Growth & Design","2015","15","5","2437","","10.1021/acs.cgd.5b00220","","","1.54184","CuKα","","0.054","0.0461","","","0.1245","0.1291","","","","","","1.044","","","","has coordinates,has disorder","137844","2020-10-21","18:00:00",""
"4513165","8.4004","0.0013","12.2217","0.0018","27.844","0.004","90","","92.11","0.003","90","","2856.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 N O6 S -","- C31 H37 N O6 S -","- C124 H148 N4 O24 S4 -","4","1","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.1247","0.0587","","","0.1269","0.1554","","","","","","1.01","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513166","8.2183","0.0008","12.4764","0.0012","27.31","0.003","90","","90.638","0.007","90","","2800.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N O6 S -","- C30 H35 N O6 S -","- C120 H140 N4 O24 S4 -","4","1","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.1973","0.0746","","","0.1693","0.2254","","","","","","0.973","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513167","15.1035","0.0003","9.3287","0.0002","34.9631","0.0006","90","","90","","90","","4926.16","0.17","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H33 N O6 S -","- C25 H33 N O6 S -","- C200 H264 N8 O48 S8 -","8","2","","Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee","Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts","Crystal Growth & Design","2015","15","7","3123","","10.1021/acs.cgd.5b00074","","","0.71073","MoKα","","0.0721","0.0561","","","0.1251","0.1334","","","","","","1.035","","","","has coordinates","140062","2020-10-21","18:00:00",""
"4513168","9.77","","17.33","","22.71","","90","","100.9","","90","","3775.75","","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H48 Co3 N10 O24 -","- C78 H48 Co3 N10 O24 -","- C156 H96 Co6 N20 O48 -","2","0.5","","Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel","Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior","Crystal Growth & Design","2015","15","7","3182","","10.1021/acs.cgd.5b00218","","","0.79474","synchrotron","","0.1304","0.1265","","","0.4527","0.4673","","","","","","2.403","","","","has coordinates","140075","2020-10-21","18:00:00",""
"4513169","9.465","0.007","12.581","0.009","18.98","0.014","90","","93.548","0.013","90","","2256","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Co2 N5 O15 -","- C15 H21 Co2 N5 O15 -","- C60 H84 Co8 N20 O60 -","4","1","","Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel","Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior","Crystal Growth & Design","2015","15","7","3182","","10.1021/acs.cgd.5b00218","","","0.71073","MoKα","","0.0896","0.0573","","","0.122","0.1367","","","","","","1.044","","","","has coordinates","140075","2020-10-21","18:00:00",""
"4513170","18.564","0.0017","10.2788","0.0009","31.583","0.003","90","","90.758","0.002","90","","6026","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H12 Na4 O40 S6 U4 -","- C36 H12 Na4 O40 S6 U4 -","- C144 H48 Na16 O160 S24 U16 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0915","0.0628","","","0.1691","0.187","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513171","8.485","0.0012","20.759","0.003","21.698","0.003","97.97","0.003","100.426","0.002","101.314","0.002","3625.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H36 N6 O31 S5 U4 -","- C60 H36 N6 O31 S5 U4 -","- C120 H72 N12 O62 S10 U8 -","2","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.1128","0.0684","","","0.1961","0.2164","","","","","","1.045","","","","has coordinates","140060","2020-10-21","18:00:00",""
"4513172","8.0279","0.0006","13.21","0.001","17.6516","0.0013","90","","91.59","0.001","90","","1871.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O6 S U -","- C18 H14 N2 O6 S U -","- C72 H56 N8 O24 S4 U4 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.085","0.0408","","","0.0738","0.0878","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513173","7.8324","0.0003","13.4801","0.0005","20.6453","0.0008","90","","94.145","0.001","90","","2174.06","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O7 S U -","- C18 H14 N2 O7 S U -","- C72 H56 N8 O28 S4 U4 -","4","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0672","0.0433","","","0.0833","0.0887","","","","","","1.255","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513174","7.707","0.002","36.226","0.011","33.863","0.01","90","","94.679","0.005","90","","9423","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H13 N O18.25 S3 U2 -","- C24 H13 N O18.25 S3 U2 -","- C192 H104 N8 O146 S24 U16 -","8","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.121","0.0655","","","0.1943","0.2314","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513175","11.4282","0.0011","20.119","0.002","20.412","0.002","81.576","0.001","77.945","0.001","78.047","0.001","4464","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H14.75 N2 O6.38 S U0.75 -","- C20.5 H14.75 N2 O6.375 S U0.75 -","- C164 H118 N16 O51 S8 U6 -","8","4","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.1325","0.0577","","","0.1403","0.1695","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513176","29.8727","0.0016","7.6518","0.0004","22.1924","0.0012","90","","122.867","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N3 O8 S1.5 U -","- C21 H12 N3 O8 S1.5 U -","- C168 H96 N24 O64 S12 U8 -","8","1","","Thangavelu, Sonia G.; Butcher, Ray J.; Cahill, Christopher L.","Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers","Crystal Growth & Design","2015","15","7","3481","","10.1021/acs.cgd.5b00549","","","0.71073","MoKα","","0.0232","0.0171","","","0.0336","0.0349","","","","","","1.041","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513177","9.7376","0.0019","15.325","0.003","22.994","0.005","90","","90","","90","","3431.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis trichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H17 Cl6 I4 -","- C28 H17 Cl6 I4 -","- C112 H68 Cl24 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0658","0.0427","","","0.1211","0.1714","","","","","","1.083","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513178","18.949","0.0013","10.3422","0.0007","17.9428","0.0012","90","","90","","90","","3516.3","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis carbon tetrachloride tetrakis-(4-iodophenyl)ethylene","","- C28 H16 Cl8 I4 -","- C28 H16 Cl8 I4 -","- C112 H64 Cl32 I16 -","4","0.5","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0506","0.031","","","0.0589","0.0668","","","","","","1.007","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513179","20.5197","0.0006","9.7865","0.0003","24.0043","0.0008","90","","91.598","0.001","90","","4818.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrakis-(4-bromophenyl) ethylene","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C208 H128 Br32 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0666","0.0425","","","0.105","0.1162","","","","","","1.047","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513180","9.3728","0.0019","14.762","0.003","21.871","0.004","90","","90","","90","","3026.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-bromophenyl)ethylene","","- C28 H22 Br4 I2 -","- C28 H22 Br4 I2 -","- C112 H88 Br16 I8 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0709","0.0584","","","0.1728","0.1963","","","","","","1.056","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513181","21.227","0.004","9.881","0.002","29.653","0.006","90","","103.04","0.03","90","","6059","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis diiodomethane bis tetrakis-(4-iodophenyl)ethylene","","- C27 H18 I6 -","- C27 H18 I6 -","- C216 H144 I48 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.1512","0.0653","","","0.1631","0.2724","","","","","","1.073","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513182","25.4217","0.0018","9.5847","0.0006","25.8099","0.0017","90","","103.462","0.001","90","","6116","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris diiodomethane bis tetrakis-(4-bromophenyl)ethylene","","- C27.5 H19 Br4 I3 -","- C27.5 H19 Br4 I3 -","- C220 H152 Br32 I24 -","8","2","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0696","0.0383","","","0.0832","0.0997","","","","","","1.056","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513183","9.3805","0.0004","15.3256","0.0006","21.0238","0.0008","90","","90","","90","","3022.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-bromophenyl)ethylene","","- C28 H20 Br4 Cl4 -","- C28 H20 Br4 Cl4 -","- C112 H80 Br16 Cl16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0477","0.0326","","","0.0622","0.0665","","","","","","1.02","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513184","9.5601","0.0019","15.112","0.003","22.597","0.005","90","","90","","90","","3264.6","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-iodophenyl) ethylene","","- C28 H22 I6 -","- C28 H22 I6 -","- C112 H88 I24 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.049","0.0335","","","0.0636","0.0706","","","","","","1.045","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513185","9.6916","0.0019","15.45","0.003","22.047","0.004","90","","90","","90","","3301.2","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H20 Cl4 I4 -","- C28 H20 Cl4 I4 -","- C112 H80 Cl16 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0784","0.0499","","","0.1441","0.2018","","","","","","1.146","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513186","11.185","0.0012","12.2337","0.0012","15.712","0.0016","87.763","0.002","85.343","0.002","75.988","0.002","2078.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H47 Cl F6 N2 P2 Ru -","- C49 H47 Cl F6 N2 P2 Ru -","- C98 H94 Cl2 F12 N4 P4 Ru2 -","2","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0814","0.0556","","","0.1081","0.1178","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513187","18.524","0.005","15.304","0.004","14.862","0.004","90","","98.269","0.006","90","","4169.4","1.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H47 Cl F6 N2 P2 Ru -","- C45 H47 Cl F6 N2 P2 Ru -","- C180 H188 Cl4 F24 N8 P8 Ru4 -","4","1","","Xie, Xiaoke; Huynh, Han Vinh","Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst","ACS Catalysis","2015","5","7","4143","","10.1021/acscatal.5b00588","","","0.71073","MoKα","","0.0419","0.0399","","","0.0915","0.0927","","","","","","1.008","","","","has coordinates","140051","2020-10-21","18:00:00",""
"4513188","14.0306","0.0003","14.0306","0.0003","28.178","0.0011","90","","90","","120","","4803.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C32 H42 Cd N4 O11 -","- C21 H9 Cd O7 -","- C126 H54 Cd6 O42 -","6","1","","Gong, Yun-Nan; Xie, Yong-Rong; Zhong, Di-Chang; Du, Zi-Yi; Lu, Tong-Bu","A Two-Fold Interpenetrating Porous Metal‒Organic Framework with a Large Solvent-Accessible Volume: Gas Sorption and Luminescent Properties","Crystal Growth & Design","2015","15","7","3119","","10.1021/acs.cgd.5b00634","","","1.54178","CuKα","","0.0793","0.0734","","","0.2015","0.2096","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513189","7.509","0.004","7.967","0.005","10.623","0.008","75.53","0.03","83.95","0.05","69.2","0.03","575.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C26 H16 N4 O10 -","2","1","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.049","0.03","","","","0.066","","","","","","1.26","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513190","18.94","0.02","5.029","0.006","6.071","0.008","90","","90","","90","","578.3","1.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C26 H16 N4 O10 -","2","0.5","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.025","0.023","","","","0.046","","","","","","1.033","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513191","20.98","0.13","5.03","0.03","12.85","0.07","90","","97.2","0.08","90","","1345","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C56 H40 N8 O32 -","8","1","","Thakur, Tejender S.; Singh, Shiv Shankar","Studying the Role of C═O···C═O, C═O···N‒O, and N‒O···N‒O Dipole‒Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study","Crystal Growth & Design","2015","15","7","3280","","10.1021/acs.cgd.5b00408","","","0.71075","MoKα","","0.03","0.022","","","","0.046","","","","","","1.167","","","","has coordinates","140061","2020-10-21","18:00:00",""
"4513192","16.582","0.002","18.022","0.003","22.278","0.003","90","","104.49","0.004","90","","6445.8","1.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound1","","","- C34 H24 Cl N6 -","- C34 H24 Cl N6 -","- C272 H192 Cl8 N48 -","8","1","","Mukherjee, Soumya; Desai, Aamod V.; Inamdar, Arif I.; Manna, Biplab; Ghosh, Sujit K.","Selective Detection of 2,4,6-Trinitrophenol (TNP) by a π-Stacked Organic Crystalline Solid in Water","Crystal Growth & Design","2015","15","7","3493","","10.1021/acs.cgd.5b00578","","","0.71073","MoKα","","0.2188","0.1144","","","0.3147","0.3621","","","","","","0.957","","","","has coordinates","152783","2020-10-21","18:00:00",""
"4513193","12.5143","0.0004","14.4007","0.0005","4.0339","0.0001","90","","90","","90","","726.97","0.04","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 La -","- Al8 Co2 La -","- Al32 Co8 La4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0161","0.0157","","","0.0363","0.0365","","","","","","1.232","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513194","12.472","0.0001","14.387","0.00015","4.022","0.0003","90","","90","","90","","721.69","0.05","298","2","298","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Ce Co2 -","- Al8 Ce Co2 -","- Al32 Ce4 Co8 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0314","0.0255","","","0.056","0.0592","","","","","","0.989","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513195","12.4602","0.0004","14.3743","0.0005","4.0101","0.0001","90","","90","","90","","718.24","0.04","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Pr -","- Al8 Co2 Pr -","- Al32 Co8 Pr4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.017","0.0138","","","0.0331","0.035","","","","","","1.047","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513197","12.4159","0.0006","14.3366","0.0007","3.9831","0.0002","90","","90","","90","","709","0.06","300","2","300","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Sm -","- Al8 Co2 Sm -","- Al32 Co8 Sm4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.031","0.0298","","","0.0751","0.0766","","","","","","1.081","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513198","12.411","0.001","14.426","0.0005","3.962","0.0005","90","","90","","90","","709.36","0.11","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al8 Co2 Yb -","- Al8 Co2 Yb -","- Al32 Co8 Yb4 -","4","0.5","","Watkins-Curry, Pilanda; Burnett, Joseph Vade; Samanta, Tapas; Young, David P.; Stadler, Shane; Chan, Julia Y.","Strategic Crystal Growth and Physical Properties of Single-Crystalline LnCo2Al8(Ln = La‒Nd, Sm, Yb)","Crystal Growth & Design","2015","15","7","3293","","10.1021/acs.cgd.5b00417","","","0.71073","MoKα","","0.0397","0.0281","","","0.0606","0.0649","","","","","","1.089","","","","has coordinates","152785","2020-10-21","18:00:00",""
"4513199","11.7783","0.0009","9.8847","0.0007","18.2783","0.0015","90","","108.294","0.003","90","","2020.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cd N3 O5 -","- C21 H14 Cd N3 O5 -","- C84 H56 Cd4 N12 O20 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.0728","0.0441","","","0.0768","0.084","","","","","","1.093","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513200","10.01","0.005","14.104","0.005","18.255","0.005","90","0.005","95.281","0.005","90","0.005","2566.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cd N3 O8 -","- C24 H17 Cd N3 O8 -","- C96 H68 Cd4 N12 O32 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.1502","0.0849","","","0.2104","0.2404","","","","","","1.142","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513201","5.9502","0.0003","9.9575","0.0005","16.4531","0.0009","74.197","0.002","84.359","0.002","89.099","0.002","933.38","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cd N4 O6 -","- C18 H14 Cd N4 O6 -","- C36 H28 Cd2 N8 O12 -","2","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.0507","0.0461","","","0.1297","0.1314","","","","","","1.256","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513202","22.317","0.005","9.927","0.005","31.901","0.005","90","0.005","109.521","0.005","90","0.005","6661","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H49 Cd2 N18 O12 -","- C66 H49 Cd2 N18 O12 -","- C264 H196 Cd8 N72 O48 -","4","1","","Singh, Divyendu; Nagaraja, C. M.","Auxiliary Ligand-Assisted Structural Variation of Cd(II) Metal‒Organic Frameworks Showing 2D →3D Polycatenation and Interpenetration: Synthesis, Structure, Luminescence Properties, and Selective Sensing of Trinitrophenol","Crystal Growth & Design","2015","15","7","3356","","10.1021/acs.cgd.5b00450","","","0.71073","MoKα","","0.116","0.0813","","","0.1702","0.182","","","","","","1.165","","","","has coordinates","140078","2020-10-21","18:00:00",""
"4513203","9.05","0.01","6.08","0.01","15.1","0.01","90","","101.67","0.01","90","","813.7","1.7","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0691","0.0509","","","0.1172","0.1224","","","","","","0.958","","","","has coordinates,has disorder","152784","2020-10-21","18:00:00",""
"4513204","6.5672","0.0006","14.5638","0.0013","8.2949","0.0008","90","","91.341","0.008","90","","793.14","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.1188","0.0915","","","0.2556","0.3402","","","","","","1.424","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513205","6.5739","0.0006","14.5868","0.0012","8.3126","0.0007","90","","91.506","0.008","90","","796.84","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo","Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21","Crystal Growth & Design","2015","15","7","3452","","10.1021/acs.cgd.5b00515","","","0.71073","MoKα","","0.0317","0.03","","","0.0741","0.0758","","","","","","1.068","","","","has coordinates","152784","2020-10-21","18:00:00",""
"4513206","8.4879","0.0003","13.2677","0.0003","14.2857","0.0005","90","","120.695","0.003","90","","1383.39","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N2 O4 S Zn -","- C12 H11 N2 O4 S Zn -","- C48 H44 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0282","0.0276","","","0.0721","0.0726","","","","","","1.083","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513207","8.588","","13.66","","12.433","","90","","92.08","","90","","1457.58","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O4 S Zn -","- C13 H13 N2 O4 S Zn -","- C52 H52 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0363","0.0305","","","0.0788","0.0813","","","","","","1.03","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513208","13.593","0.0001","15.407","0.0002","30.6","0.0001","90","","90","","90","","6408.48","0.1","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H15 N2 O4 S Zn -","- C14 H15 N2 O4 S Zn -","- C224 H240 N32 O64 S16 Zn16 -","16","2","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","x-ray","0.71073","MoKα","","0.0454","0.035","","","0.0838","0.0888","","","","","","1.042","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513209","14.2067","0.0013","16.6292","0.0014","14.7442","0.0014","90","","90.963","0.008","90","","3482.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N2 O4 S Zn -","- C14 H11 N2 O4 S Zn -","- C112 H88 N16 O32 S8 Zn8 -","8","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.1466","0.0962","","","0.2457","0.3","","","","","","1.011","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513210","14.187","0.0003","16.543","0.0004","14.759","0.0003","90","","90.686","0.001","90","","3463.62","0.13","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N2 O4 S Zn -","- C15 H13 N2 O4 S Zn -","- C120 H104 N16 O32 S8 Zn8 -","8","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.038","0.0291","","","0.0684","0.0728","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513211","10.151","","13.086","","13.062","","90","","94.93","","90","","1728.69","","145","2","145","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N2 O4 S Zn -","- C16 H15 N2 O4 S Zn -","- C64 H60 N8 O16 S4 Zn4 -","4","1","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0275","0.0252","","","0.069","0.0701","","","","","","1.045","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513212","11.686","","11.971","","14.314","","90","","90","","90","","2002.43","","150","2","150","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C20 H28 N4 O -","- C20 H28 N4 O -","- C80 H112 N16 O4 -","4","0.5","","Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel","A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers","Crystal Growth & Design","2015","15","7","3201","","10.1021/acs.cgd.5b00276","","","0.71073","MoKα","","0.0927","0.0856","","","0.1893","0.1923","","","","","","1.035","","","","has coordinates","141316","2020-10-21","18:00:00",""
"4513213","6.8722","0.0006","11.2171","0.0011","33.051","0.003","90","","90","","90","","2547.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O2 S2 -","- C34 H20 N2 O2 S2 -","- C136 H80 N8 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71073","MoKα","","0.1853","0.0746","","","0.079","0.1103","","","","","","0.962","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513214","6.8359","0.0003","15.6377","0.0009","22.493","0.0012","90","","90","","90","","2404.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 O2 S2 -","- C28 H18 N4 O2 S2 -","- C112 H72 N16 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71","MoKα","","0.1794","0.0946","","","0.2627","0.3166","","","","","","1.096","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513215","7.8373","0.0003","11.1807","0.0003","28.7574","0.0008","90","","90","","90","","2519.91","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 B Fe P -","- C32 H28 B Fe P -","- C128 H112 B4 Fe4 P4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.036","0.0316","","0.0368","0.0364","0.0364","","","","","","1.0497","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513216","8.4925","0.0003","18.0565","0.0005","21.7726","0.0007","90","","92.034","0.003","90","","3336.61","0.18","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 N -","- C20 H24.5 N -","- C160 H196 N8 -","8","4","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0984","0.0642","","0.0701","0.0507","0.0468","","","","","","1.1591","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513217","7.6079","0.0004","9.9255","0.0007","10.7036","0.0007","113.746","0.007","100.964","0.005","95.416","0.005","713.05","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H21 N -","- C18 H21 N -","- C36 H42 N2 -","2","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0678","0.0514","","0.062","0.0602","0.06","","","","","","1.0831","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513218","10.843","0.0004","12.6988","0.0004","15.1797","0.0005","90","","90","","90","","2090.14","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N O -","- C25 H29 Fe N O -","- C100 H116 Fe4 N4 O4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71073","MoKα","","0.036","0.0309","","0.033","0.0324","0.0323","","","","","","1.0256","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513219","14.5165","0.0002","14.5165","0.0002","37.1387","0.001","90","","90","","90","","7826.2","0.3","293","","293","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C43 H38 N O3.5 P Pd S -","- C43 H38 N O3.5 P Pd S -","- C344 H304 N8 O28 P8 Pd8 S8 -","8","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.0649","0.0523","","0.0505","0.0457","0.0442","","","","","","1.0811","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513220","21.1455","0.0019","12.7188","0.0012","17.8085","0.0016","90","","105.078","0.0016","90","","4624.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N6 O6 S2 -","- C30 H32 N6 O6 S2 -","- C180 H192 N36 O36 S12 -","6","1.5","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.1124","0.0502","","","0.1094","0.1387","","","","","","1.008","","","","has coordinates","140067","2020-10-21","18:00:00",""
"4513221","19.603","0.003","7.6017","0.001","19.639","0.003","90","","112.751","0.0017","90","","2698.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O6 S2 -","- C24 H28 N6 O6 S2 -","- C96 H112 N24 O24 S8 -","4","1","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.0542","0.0427","","","0.1014","0.1077","","","","","","1.044","","","","has coordinates,has disorder","140067","2020-10-21","18:00:00",""
"4513222","21.79","0.001","7.585","0.0003","16.3519","0.0007","90","","90","","90","","2702.6","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H28 N6 O6 S2 -","- C24 H28 N6 O6 S2 -","- C96 H112 N24 O24 S8 -","4","1","","Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks","Crystal Growth & Design","2015","15","7","3366","","10.1021/acs.cgd.5b00452","","","0.71073","MoKα","","0.0459","0.0353","","","0.0814","0.0872","","","","","","1.023","","","","has coordinates,has disorder","140067","2020-10-21","18:00:00",""
"4513223","6.32184","0.00007","10.11135","0.00008","6.50351","0.00004","90","","114.252","0.001","90","","379.031","0.006","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl H4 Na O2 -","- Cl H4 Na O2 -","- Cl4 H16 Na4 O8 -","4","1","","Bode, Arno A. C.; Pulles, Paul G. M.; Lutz, Martin; Poulisse, Ward J. M.; Jiang, Shanfeng; Meijer, Jan A. M.; van Enckevort, Willem J. P.; Vlieg, Elias","Sodium Chloride Dihydrate Crystals: Morphology, Nucleation, Growth, and Inhibition","Crystal Growth & Design","2015","15","7","3166","","10.1021/acs.cgd.5b00061","","","0.71073","MoKα","","0.0176","0.0156","","","0.0383","0.039","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513224","9.8949","0.0007","9.9056","0.0007","7.2865","0.0005","89.46","0.01","89.944","0.001","60.09","0.01","619.03","0.1","293","","293","","","","","","","","","3","P 1","P 1","1","","","","- Ge6 La9.68 O26.51 -","- Ge6 La9.675 O26.513 -","- Ge6 La9.675 O26.513 -","1","1","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity of Highly Grain-Aligned Polycrystalline Lanthanum Germanate Oxyapatite Grown by Reactive Diffusion between Solid La2GeO5and Gases [GeO + 1/2O2]","Crystal Growth & Design","2015","15","7","3435","","10.1021/acs.cgd.5b00509","","x-ray","0.71073","MoKα","","0.0382","0.0298","","","0.0333","0.0346","","","","1.66","1.66","1.6","","","","has coordinates","152786","2020-10-21","18:00:00",""
"4513225","7.4665","0.0004","11.9467","0.0005","12.0974","0.0007","90","","90","","90","","1079.09","0.1","173","","173","","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C10 H10 B F4 Fe -","- C10 H10 B F4 Fe -","- C40 H40 B4 F16 Fe4 -","4","0.25","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0495","0.0419","","0.1127","0.1018","0.1127","","","","","","1.0413","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513226","7.0121","0.0002","12.0018","0.0004","12.6356","0.0005","90","","94.0046","0.0019","90","","1060.79","0.06","120","","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H10 B F4 Fe -","- C10 H10 B F4 Fe -","- C40 H40 B4 F16 Fe4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0554","0.035","","0.0887","0.0806","0.0887","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513227","13.4125","0.0002","9.5318","0.0002","9.4855","0.0002","90","","93.2","0.001","90","","1210.79","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0941","0.0456","","0.1598","0.1119","0.1598","","","","","","0.9951","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513228","13.3922","0.0005","9.2457","0.0003","9.3076","0.0003","90","","96.84","0.002","90","","1144.27","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0611","0.0364","","0.0772","0.0679","0.0772","","","","","","0.9614","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513229","13.3462","0.0011","9.4447","0.0008","9.4076","0.0008","90","","92.987","0.002","90","","1184.22","0.17","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0546","0.0366","","0.1002","0.0795","0.1002","","","","","","1.0257","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513230","13.342","0.002","9.2108","0.0015","9.2723","0.0016","90","","96.812","0.004","90","","1131.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0546","0.0383","","0.084","0.0773","0.084","","","","","","0.9733","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513231","13.3215","0.0012","9.4269","0.0008","9.3913","0.0008","90","","92.977","0.002","90","","1177.77","0.18","240","","241","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 Fe P -","- C10 H10 F6 Fe P -","- C40 H40 F24 Fe4 P4 -","4","1","","Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M.","Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter","Crystal Growth & Design","2015","15","7","3407","","10.1021/acs.cgd.5b00487","","","0.71073","MoKα","","0.0539","0.0365","","0.1065","0.085","0.1065","","","","","","1.0596","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513232","17.0103","0.0019","17.0103","0.0019","77.059","0.008","90","","90","","90","","22297","4","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","1*AgNO3 in manuscript","","","- C52 H32 Ag2 N6 O6 Si -","- C52 H32 Ag2 N4 Si -","- C832 H512 Ag32 N64 Si16 -","16","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2567","0.2491","","","0.575","0.5771","","","","","","4.644","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513233","27.104","0.008","31.278","0.009","34.9","0.01","90","","92.1","0.006","90","","29567","15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1*Cu(NO3)2 in manuscript","","","- C52 H31 Cu N6 O6 Si -","- C52 H31 Cu N4 O2 Si -","- C416 H248 Cu8 N32 O16 Si8 -","8","1","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2011","0.1333","","","0.3787","0.4249","","","","","","1.292","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513234","33.224","0.003","21.0248","0.0017","8.4989","0.0007","90","","102.143","0.002","90","","5803.9","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1*Zn(OAc)2 in manuscript","","","- C60 H44 N4 O8 Si Zn2 -","- C60 H44 N4 O12 Si Zn2 -","- C240 H176 N16 O48 Si4 Zn8 -","4","0.5","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.1325","0.0661","","","0.1497","0.1798","","","","","","1.041","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513235","18.695","0.003","20.122","0.003","21.068","0.004","111.924","0.004","92.824","0.005","94.973","0.005","7296","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","1*Cu(OAc)2 in manuscript","","","- C120 H88 Cu4 N8 O16 Si2 -","- C120 H88 Cu4 N8 O16 Si2 -","- C240 H176 Cu8 N16 O32 Si4 -","2","1","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.2041","0.1051","","","0.2685","0.3275","","","","","","1.024","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513236","26.518","0.007","26.518","0.007","6.3122","0.0018","90","","90","","90","","4439","2","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","1 (first modification) in manuscript","","","- C56 H32 N4 Si -","- C56 H32 N4 Si -","- C224 H128 N16 Si4 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.1001","0.074","","","0.1859","0.1982","","","","","","1.222","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513237","9.0422","0.0006","29.432","0.002","15.6532","0.0011","90","","104.306","0.0019","90","","4036.6","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1 (second modification) in manuscript","","","- C52 H32 N4 Si -","- C52 H32 N4 Si -","- C208 H128 N16 Si4 -","4","2","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0981","0.0569","","","0.1191","0.1366","","","","","","1.013","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513238","14.5595","0.0019","14.5595","0.0019","22.373","0.003","90","","90","","90","","4742.6","1.1","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","3 in manuscript","","","- C44 H52 Si5 -","- C44 H52 Si5 -","- C176 H208 Si20 -","4","","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.098","0.0634","","","0.164","0.1869","","","","","","1.085","","","","has coordinates,has disorder","140066","2020-10-21","18:00:00",""
"4513239","13.491","0.002","13.491","0.002","6.7026","0.001","90","","90","","90","","1219.9","0.3","200","2","200","2","","","","","","","","3","I -4","I -4","82","4 in manuscript","","","- C32 H20 Si -","- C32 H20 Si -","- C64 H40 Si2 -","2","0.25","","Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.","Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand","Crystal Growth & Design","2015","15","7","3539","","10.1021/acs.cgd.5b00719","","","0.71073","MoKα","","0.0588","0.0454","","","0.0836","0.0911","","","","","","1.084","","","","has coordinates","140066","2020-10-21","18:00:00",""
"4513240","7.7529","0.0002","20.1808","0.0006","27.1449","0.0008","90","","90","","90","","4247.1","0.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","N-iodosuccinimide/pyridine","","","- C9 H9 I N2 O2 -","- C9 H9 I N2 O2 -","- C144 H144 I16 N32 O32 -","16","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.1161","0.0489","","","0.1074","0.1358","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513241","7.7617","0.0004","14.5317","0.0008","10.6247","0.0006","90","","108.296","0.003","90","","1137.79","0.11","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","N-iodo-succinimide/4-picoline","","","- C10 H11 I N2 O2 -","- C10 H11 I N2 O2 -","- C40 H44 I4 N8 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0673","0.034","","","0.0557","0.0634","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513242","6.449","0.0012","7.905","0.002","25.9495","0.0013","90","","90","","90","","1322.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-iodosuccinimide/4-dimethylaminopyridine","","","- C11 H14 I N3 O2 -","- C11 H14 I N3 O2 -","- C44 H56 I4 N12 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0814","0.0406","","","0.0625","0.0718","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513243","7.8317","0.0005","8.6483","0.0003","11.7431","0.0013","106.618","0.006","99.711","0.008","98.224","0.003","735.66","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-picoline","","","- C13 H11 I N2 O3 S -","- C13 H11 I N2 O3 S -","- C26 H22 I2 N4 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0422","0.0288","","","0.0635","0.0679","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513244","7.6973","0.0003","8.6302","0.0003","11.6836","0.0004","106.797","0.002","100.216","0.002","98.149","0.002","715.73","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-picoline","","","- C13 H11 I N2 O3 S -","- C13 H11 I N2 O3 S -","- C26 H22 I2 N4 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.032","0.0268","","","0.0723","0.0864","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513245","7.7751","0.0004","8.2011","0.0004","13.0199","0.0005","75.347","0.004","88.101","0.005","83.128","0.005","797.43","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-dimethylaminopyridine","","","- C14 H14 I N3 O3 S -","- C14 H14 I N3 O3 S -","- C28 H28 I2 N6 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0224","0.0184","","","0.044","0.0459","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513246","7.724","0.005","8.116","0.005","12.862","0.005","76.081","0.005","88.161","0.005","83.352","0.005","777.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","N-iodosaccharin/4-dimethylaminopyridine","","","- C14 H14 I N3 O3 S -","- C14 H14 I N3 O3 S -","- C28 H28 I2 N6 O6 S2 -","2","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0225","0.0207","","","0.0561","0.0695","","","","","","0.872","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513247","12.5102","0.0005","13.4656","0.0005","15.4021","0.0006","65.072","0.004","80.169","0.003","83.094","0.003","2314.94","0.17","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N10 O22 S4 -","- C36 H56 N10 O22 S4 -","- C72 H112 N20 O44 S8 -","2","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.0642","0.0544","","0.0579","0.0554","0.0554","","","","","","1.1075","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513248","16.6234","0.0009","14.1631","0.0008","20.9416","0.0011","90","","102.545","0.005","90","","4812.8","0.5","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 N12 Na O16.5 S4 -","- C42 H51 N12 Na O16.5 S4 -","- C168 H204 N48 Na4 O66 S16 -","4","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.1225","0.082","","0.1217","0.0955","0.0955","","","","","","1.0444","","","","has coordinates","289785","2024-02-12","08:29:28",""
"4513249","11.73","0.0005","30.0399","0.0011","14.0781","0.0007","90","","95.903","0.004","90","","4934.4","0.4","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N10 Na O20 S4 -","- C36 H40 N10 Na O20 S4 -","- C144 H160 N40 Na4 O80 S16 -","4","1","","Barboiu, Mihail; Dumitrescu, Dan; Petit, Eddy; Legrand, Yves-Marie; van der Lee, Arie","Crystallization-Driven Multicomponent Encapsulation of Coulombically Repulsive Guests","Crystal Growth & Design","2015","15","7","3525","","10.1021/acs.cgd.5b00596","","","0.71073","MoKα","","0.1489","0.1304","","0.1455","0.1347","0.1347","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513250","5.774","0.004","10.168","0.008","13.264","0.01","88.77","0.02","84.79","0.02","82.25","0.02","768.4","1","151","2","151","2","","","","","","","","6","P -1","-P 1","2","thiobenzamide & 1,4-diiodotetrafluorobenzene (1:1) cocrystal","","","- C13 H7 F4 I2 N S -","- C13 H7 F4 I2 N S -","- C26 H14 F8 I4 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0258","0.0207","","","0.043","0.0452","","","","","","1.023","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513251","6.2654","0.0005","10.9683","0.001","15.3237","0.0013","80.406","0.003","81.396","0.003","79.248","0.003","1012.44","0.15","300","2","300","2","","","","","","","","6","P -1","-P 1","2","thiobenzamide & 1,4-diiodotetrafluorobenzene (2:3) cocrystal","","","- C32 H14 F12 I6 N2 S2 -","- C32 H14 F12 I6 N2 S2 -","- C32 H14 F12 I6 N2 S2 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0431","0.0292","","","0.0721","0.0919","","","","","","1.097","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513252","8.1916","0.0004","8.6229","0.0004","9.6939","0.0005","97.908","0.001","93.295","0.001","112.073","0.001","624.05","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0382","0.0347","","","0.0917","0.0944","","","","","","1.192","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513253","10.4324","0.0007","5.448","0.0003","21.0125","0.0014","90","","102.34","0.002","90","","1166.67","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0297","0.0258","","","0.0507","0.0519","","","","","","0.953","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513254","7.9155","0.0004","11.2629","0.0006","15.2608","0.0009","69.617","0.001","81.552","0.001","76.408","0.001","1236.45","0.12","292","2","292","2","","","","","","","","6","P -1","-P 1","2","alpha form of 4-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0327","0.0239","","","0.0526","0.0568","","","","","","1.04","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513255","28.2332","0.0014","10.7096","0.0006","8.169","0.0004","90","","91.178","0.001","90","","2469.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","beta form of 4-methylthiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 S2 -","- C22 H18 F4 I2 N2 S2 -","- C88 H72 F16 I8 N8 S8 -","4","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0281","0.0227","","","0.0553","0.059","","","","","","1.064","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513256","10.746","0.003","6.183","0.0016","18.78","0.005","90","","98.107","0.007","90","","1235.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 O2 S2 -","- C22 H18 F4 I2 N2 O2 S2 -","- C44 H36 F8 I4 N4 O4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0348","0.0318","","","0.0844","0.0865","","","","","","1.064","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513257","6.7544","0.0008","9.9221","0.0012","18.4744","0.0018","90","","93.261","0.003","90","","1236.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (2:1) cocrystal","","","- C22 H18 F4 I2 N2 O2 S2 -","- C22 H18 F4 I2 N2 O2 S2 -","- C44 H36 F8 I4 N4 O4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0404","0.0294","","","0.051","0.0545","","","","","","1.012","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513258","5.846","0.001","13.27","0.002","20.334","0.004","71.991","0.004","83.885","0.004","79.176","0.004","1471.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4-methoxythiobenzamide & 1,4-diiodotetrafluorobenzene (4:3) cocrystal","","","- C50 H36 F12 I6 N4 O4 S4 -","- C50 H36 F12 I6 N4 O4 S4 -","- C50 H36 F12 I6 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0283","0.0268","","","0.0707","0.0716","","","","","","1.108","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513259","5.1924","0.0007","14.745","0.002","16.356","0.003","90","","98.258","0.005","90","","1239.3","0.3","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3-nitrothiobenzamide & 1,4-diiodotetrafluorobenzene (4:3) cocrystal","","","- C20 H12 F4 I2 N4 O4 S2 -","- C20 H12 F4 I2 N4 O4 S2 -","- C40 H24 F8 I4 N8 O8 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.039","0.0246","","","0.0617","0.0875","","","","","","1.282","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513260","6.2828","0.0003","10.9161","0.0005","12.9878","0.0006","110.556","0.001","96.205","0.001","102.901","0.001","795.83","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","2-fluorothiobenzamide & 1,4-diiodotetrafluorobenzene (1:1) cocrystal","","","- C13 H6 F5 I2 N S -","- C13 H6 F5 I2 N S -","- C26 H12 F10 I4 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0456","0.038","","","0.0817","0.0852","","","","","","0.911","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513261","4.2868","0.0004","13.6897","0.0013","25.474","0.003","105.469","0.002","91.027","0.002","96.835","0.002","1428.6","0.3","286","2","286","2","","","","","","","","7","P -1","-P 1","2","2-chlorothiobenzamide & 1,4 diiodotetrafluorobenzene (4:3) cocrystal","","","- C46 H24 Cl4 F12 I6 N4 S4 -","- C46 H24 Cl4 F12 I6 N4 S4 -","- C46 H24 Cl4 F12 I6 N4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0878","0.0394","","","0.119","0.181","","","","","","1.237","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513262","12.0308","0.0017","9.2912","0.0011","11.655","0.0016","90","","107.79","0.004","90","","1240.5","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-chlorothiobenzamide & 1,4 diiodotetrafluorobenzene (2:1) cocrystal","","","- C20 H12 Cl2 F4 I2 N2 S2 -","- C20 H12 Cl2 F4 I2 N2 S2 -","- C40 H24 Cl4 F8 I4 N4 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0413","0.0289","","","0.0701","0.0929","","","","","","1.161","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513263","13.7819","0.0016","7.0458","0.0008","11.6222","0.0012","90","","97.938","0.004","90","","1117.8","0.2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pyridine-2-carbothioamide & 1,4 diiodotetrafluorobenzene (2:1) cocrystal","","","- C18 H12 F4 I2 N4 S2 -","- C18 H12 F4 I2 N4 S2 -","- C36 H24 F8 I4 N8 S4 -","2","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Sinha, Abhijeet S.; Maguire, Anita R.; Lawrence, Simon E.","Investigating C═S···I Halogen Bonding for Cocrystallization with Primary Thioamides","Crystal Growth & Design","2015","15","7","3442","","10.1021/acs.cgd.5b00513","","","0.71073","MoKα","","0.0463","0.0337","","","0.1049","0.1152","","","","","","1.146","","","","has coordinates","140072","2020-10-21","18:00:00",""
"4513264","9.5135","0.0019","9.969","0.002","12.113","0.002","78.9","0.03","86.64","0.03","82.54","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N0 Ni2 O12 -","- C22 H16 Ni2 O12 -","- C44 H32 Ni4 O24 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.0701","0.059","","","0.141","0.1486","","","","","","1.087","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513265","9.495","0.0019","15.284","0.003","19.639","0.004","109.44","0.03","93.93","0.03","103.48","0.03","2580.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Co4 N2 O22 -","- C54 H28 Co4 N2 O19 -","- C108 H56 Co8 N4 O38 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.1114","0.0868","","","0.1982","0.2183","","","","","","0.968","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513266","9.87","0.002","10.291","0.002","12.654","0.003","111.95","0.03","99.96","0.03","90.86","0.03","1169.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Mn2 N0 O12 -","- C22 H16 Mn2 O12 -","- C44 H32 Mn4 O24 -","2","1","","Zhang, Lin; Liu, Lu; Huang, Chao; Han, Xiao; Guo, Li’an; Xu, Hong; Hou, Hongwei; Fan, Yaoting","Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on Terphenyl‒Tetracarboxylic Acid Ligand: Crystal Structures and Research of Magnetic Properties","Crystal Growth & Design","2015","15","7","3426","","10.1021/acs.cgd.5b00504","","","0.71073","MoKα","","0.0836","0.073","","","0.1807","0.194","","","","","","1.05","","","","has coordinates","140059","2020-10-21","18:00:00",""
"4513267","13.5102","0.0006","15.2418","0.0006","18.3238","0.0007","99.534","0.003","98.72","0.003","90.086","0.003","3676.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sulfamethizole-4-aminobenzamide cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4-Aminobenzamide","","- C16 H18 N6 O3 S2 -","- C16 H18 N6 O3 S2 -","- C128 H144 N48 O24 S16 -","8","4","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.1251","0.0943","","","0.2256","0.2399","","","","","","1.116","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513268","10.4481","0.0003","19.2259","0.0005","16.5666","0.0007","90","","90","","90","","3327.8","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Sulfamethizole-subericacid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-Octane-1,8-dioic acid","","- C26 H34 N8 O8 S4 -","- C26 H34 N8 O8 S4 -","- C104 H136 N32 O32 S16 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0574","0.044","","","0.0824","0.0865","","","","","","1.04","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513269","8.1754","0.0007","18.612","0.001","13.169","0.0011","90","","93.048","0.007","90","","2001","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfamethizole-bipyridine cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4,4-Dipyridyl","","- C19 H18 N6 O2 S2 -","- C19 H18 N6 O2 S2 -","- C76 H72 N24 O8 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0952","0.056","","","0.1041","0.116","","","","","","1.047","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513270","7.9915","0.0004","21.6918","0.0008","8.5756","0.0004","90","","95.737","0.004","90","","1479.13","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-adipic acid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-hexane-1,6-dioic acid","","- C12 H15 N4 O4 S2 -","- C12 H15 N4 O4 S2 -","- C48 H60 N16 O16 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0378","0.0291","","","0.0685","0.0714","","","","","","1.016","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513271","9.2097","0.0003","10.8241","0.0005","18.291","0.0007","90","","101.645","0.003","90","","1785.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfamethizole-4-aminobenzoicacid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-4-Aminobenzoicacid","","- C16 H17 N5 O4 S2 -","- C16 H17 N5 O4 S2 -","- C64 H68 N20 O16 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0384","0.0294","","","0.0718","0.0748","","","","","","1.022","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513272","8.1263","0.0005","19.7763","0.0007","12.0584","0.0007","90","","109.396","0.004","90","","1827.9","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-vanillic acid cocrystal","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-3-methoxy-4-hydroxy-benzoicacid","","- C17 H18 N4 O6 S2 -","- C17 H18 N4 O6 S2 -","- C68 H72 N16 O24 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.036","0.0292","","","0.0682","0.0707","","","","","","1.059","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513273","8.0559","0.0003","20.6543","0.0006","8.5539","0.0004","90","","99.903","0.003","90","","1402.07","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamethizole-mono-oxalate salt","4-Amino-N-methyl-3H-1,3,4-thiadiazol-2-ylidene-benzenesulfonamide-mono-oxalte","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","1","","Suresh, Kuthuru; Minkov, Vasily S.; Namila, Kranthi Kumar; Derevyannikova, Elizaveta; Losev, Evgeniy; Nangia, Ashwini; Boldyreva, Elena V.","Novel Synthons in Sulfamethizole Cocrystals: Structure‒Property Relations and Solubility","Crystal Growth & Design","2015","15","7","3498","","10.1021/acs.cgd.5b00587","","","0.71073","MoKα","","0.0406","0.0324","","","0.0759","0.0789","","","","","","1.034","","","","has coordinates","140063","2020-10-21","18:00:00",""
"4513274","22.584","0.003","22.584","0.003","21.75","0.005","90","","90","","120","","9607","3","290","2","290","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","AgBF4-eggcrate squeezed","Silver tetrafluoroborate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- tetramine 3:3:1 coordination polymer, 2-dimensional, with unknown solvent squeezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 B3 F12 N19 -","- C42 H45 Ag3 B3 F12 N19 -","- C252 H270 Ag18 B18 F72 N114 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.079","0.0485","","","0.1243","0.1407","","","","","","1.065","","","","has coordinates,has disorder","140076","2020-10-21","18:00:00",""
"4513275","22.5686","0.0005","22.5686","0.0005","22.2724","0.0005","90","","90","","120","","9824.4","0.4","297","2","297","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","1666 bm AgClO4-eggcrate squeezed","Silver perchlorate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- teramine 3:3:1 coordination polymer, 2-dimensional, with unknown solvent squeezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 Cl3 N19 O12 -","- C42 H45 Ag3 Cl3 N19 O12 -","- C252 H270 Ag18 Cl18 N114 O72 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.0843","0.064","","","0.2089","0.2277","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513276","22.891","0.01","22.891","","23.847","0.011","90","","90","","120","","10822","7","290","2","290","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","AgPF6-eggcrate squeezed","Silver hexafluorophosphate / 4-[di(pyrazol-1-yl)methyl]pyridine / hexamethylene- tetramine 3:3:1 coordination polymer, 2-dimensional, with mainly dimethyl formamide solvent queezed and not contained in chemical formula and quantities derived thereof.","","- C42 H45 Ag3 F18 N19 P3 -","- C42 H45 Ag3 F21 N19 P3 -","- C252 H270 Ag18 F126 N114 P18 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Mereiter, Kurt","Robust 2D Coordination Networks from a Two-Step Assembly Process with Predesigned Silver Cyclic Dimers and Hexamethylenetetramine","Crystal Growth & Design","2015","15","7","3321","","10.1021/acs.cgd.5b00428","","","0.71073","MoKα","","0.1264","0.0577","","","0.1526","0.1949","","","","","","0.895","","","","has coordinates","140076","2020-10-21","18:00:00",""
"4513277","8.0256","0.0003","4.57553","0.00011","9.142","0.002","90","","101.666","0.011","90","","328.77","0.07","293","2","293","2","100","1","100","1","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41414","","","0.0432","0.0392","","","0.0965","0.1055","","","","","","1.158","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513278","7.9853","0.0004","4.55112","0.00013","9","0.003","90","","102.014","0.013","90","","319.91","0.11","293","2","293","2","370000","50000","370000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0355","0.0327","","","0.0819","0.0891","","","","","","1.142","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513279","7.9615","0.0004","4.53586","0.00014","8.911","0.003","90","","102.155","0.014","90","","314.58","0.11","293","2","293","2","740000","50000","740000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0362","0.0338","","","0.0823","0.0897","","","","","","1.201","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513280","7.9216","0.0002","4.50673","0.00007","8.7646","0.0014","90","","102.548","0.007","90","","305.43","0.05","293","2","293","2","1420000","50000","1420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0464","0.0431","","","0.1123","0.119","","","","","","1.223","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513281","12.9231","0.0008","4.4816","0.0001","17.2952","0.0015","90","","143.48","0.004","90","","596.1","0.09","293","2","293","2","2080000","110000","2080000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0627","0.0481","","","0.1163","0.1375","","","","","","1.15","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513282","12.8439","0.0014","4.4632","0.0001","17.122","0.003","90","","143.381","0.008","90","","585.47","0.16","293","2","293","2","2590000","50000","2590000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0725","0.0646","","","0.1693","0.1879","","","","","","1.152","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513283","12.7203","0.0007","4.4269","0.0001","16.8699","0.0013","90","","143.284","0.004","90","","567.94","0.08","293","2","293","2","3750000","50000","3750000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0537","0.0452","","","0.1157","0.1312","","","","","","1.099","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513284","12.6524","0.0007","4.4082","0.0001","16.7237","0.0014","90","","143.209","0.004","90","","558.62","0.08","293","2","293","2","4540000","360000","4540000","360000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0603","0.0524","","","0.1371","0.1515","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513285","12.5859","0.0005","4.3845","0.0005","16.5934","0.0009","90","","143.183","0.003","90","","548.73","0.08","293","2","293","2","5140000","70000","5140000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0548","0.0488","","","0.124","0.1348","","","","","","1.105","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513286","12.727","0.01","13.0569","0.0007","16.455","0.017","90","","143.8","0.2","90","","1615","8","293","2","293","2","6080000","50000","6080000","50000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1724","0.1166","","","0.3573","0.4428","","","","","","1.19","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513287","12.655","0.01","12.9892","0.0007","16.282","0.018","90","","143.9","0.2","90","","1577","8","293","2","293","2","7230000","150000","7230000","150000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.188","0.1308","","","0.3774","0.4608","","","","","","1.2","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513288","12.599","0.011","12.9232","0.0007","16.142","0.018","90","","144.1","0.2","90","","1541","8","293","2","293","2","8510000","110000","8510000","110000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2006","0.1488","","","0.391","0.4672","","","","","","1.277","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513289","12.543","0.01","12.8595","0.0007","16.032","0.018","90","","144.2","0.2","90","","1513","8","293","2","293","2","9600000","70000","9600000","70000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As12 O18 -","- As12 O18 -","- As48 O72 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.2265","0.1702","","","0.4161","0.5026","","","","","","1.346","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513290","8.357","0.001","4.0889","0.0002","7.4","0.004","90","","106.9","0.03","90","","241.94","0.14","293","2","293","2","11680000","70000","11680000","70000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1383","0.1179","","","0.3061","0.3373","","","","","","1.18","","","","has coordinates,has disorder","154542","2020-10-21","18:00:00",""
"4513291","8.3494","0.001","4.0797","0.0002","7.388","0.005","90","","106.91","0.03","90","","240.78","0.17","293","2","293","2","11950000","50000","11950000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1184","0.1068","","","0.2565","0.2726","","","","","","1.089","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513292","8.3557","0.0017","4.0829","0.0003","7.385","0.007","90","","107.04","0.05","90","","240.9","0.2","293","2","293","2","11920000","50000","11920000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0784","0.0742","","","0.1966","0.2007","","","","","","1.113","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513293","8.3192","0.0009","4.0286","0.0002","7.298","0.003","90","","106.84","0.03","90","","234.1","0.11","293","2","293","2","14440000","50000","14440000","50000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0943","0.0867","","","0.2291","0.2406","","","","","","1.117","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513294","8.223","0.0007","3.9071","0.0002","7.13","0.003","90","","106.53","0.02","90","","219.61","0.1","293","2","293","2","21160000","110000","21160000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1016","0.0929","","","0.2382","0.245","","","","","","1.107","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513295","8.3873","0.0008","4.136","0.0002","7.49","0.004","90","","107.03","0.03","90","","248.43","0.14","293","2","293","2","9540000","110000","9540000","110000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0754","0.0694","","","0.1846","0.1919","","","","","","1.183","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513296","8.4114","0.0005","4.1895","0.0001","7.614","0.003","90","","107.025","0.019","90","","256.56","0.11","293","2","293","2","7420000","370000","7420000","370000","","","","2","P 1 21 1","P 2yb","4","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0874","0.0833","","","0.2236","0.2288","","","","","","1.139","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513297","12.588","0.003","4.3812","0.0002","16.593","0.004","90","","143.199","0.013","90","","548.2","0.3","293","2","293","2","4850000","100000","4850000","100000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.147","0.1208","","","0.3017","0.3232","","","","","","1.291","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513298","12.905","0.003","4.4711","0.0003","17.262","0.006","90","","143.483","0.019","90","","592.7","0.4","293","2","293","2","2310000","180000","2310000","190000","","","","2","P 1 21/a 1","-P 2yab","14","","","","- As4 O6 -","- As4 O6 -","- As16 O24 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1257","0.1066","","","0.2737","0.3006","","","","","","1.221","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513299","7.9307","0.0006","4.51054","0.00018","8.783","0.005","90","","102.53","0.02","90","","306.7","0.18","293","2","293","2","1300000","50000","1300000","50000","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.0966","0.085","","","0.2273","0.2471","","","","","","1.118","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513300","8.029","0.0006","4.57732","0.00016","9.141","0.005","90","","101.65","0.02","90","","329.02","0.18","293","2","293","2","100","1","100","1","","","","2","P 1 21/n 1","-P 2yn","14","","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz","Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide","Crystal Growth & Design","2015","15","8","3950","","10.1021/acs.cgd.5b00567","","x-ray","0.41427","","","0.1104","0.1051","","","0.2772","0.2894","","","","","","1.264","","","","has coordinates","154542","2020-10-21","18:00:00",""
"4513301","6.7215","0.0009","11.7132","0.0009","11.4928","0.0009","90","","95.001","0.01","90","","901.39","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.7 H8.7 N1.3 -","- C12.7 H8.7 N1.3 -","- C50.8 H34.8 N5.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.131","0.0792","","","0.148","0.1705","","","","","","1.131","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513302","9.2838","0.0006","5.9992","0.0004","8.421","0.0006","90","","102.487","0.001","90","","457.92","0.05","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 -","- C14 H10 -","- C28 H20 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0695","0.0482","","","0.1264","0.1382","","","","","","1.053","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513303","11.165","0.002","5.9216","0.0012","13.563","0.003","90","","100.022","0.009","90","","883","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13.02 H9.02 N0.99 -","- C13.01 H9.01 N0.99 -","- C52.04 H36.04 N3.96 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.3245","0.1433","","","0.315","0.388","","","","","","1.053","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513304","6.674","0.012","11.839","0.018","11.516","0.018","90","","93.86","0.03","90","","908","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.86 H8.86 N1.14 -","- C12.855 H8.855 N1.145 -","- C51.42 H35.42 N4.58 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1052","0.0554","","","0.1266","0.1541","","","","","","1.02","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513305","6.7268","0.0006","11.677","0.001","11.489","0.001","90","","95.374","0.002","90","","898.48","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.65 H8.65 N1.36 -","- C12.644 H8.644 N1.356 -","- C50.576 H34.576 N5.424 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0915","0.0519","","","0.1248","0.1487","","","","","","1.032","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513306","7.0842","0.0011","4.982","0.0007","12.617","0.002","90","","103.036","0.016","90","","433.82","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.13 H4.13 N0.87 -","- C6.13 H4.13 N0.87 -","- C24.52 H16.52 N3.48 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1283","0.0764","","","0.1422","0.1736","","","","","","1.026","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513307","11.183","0.005","5.9341","0.0012","13.59","0.004","90","","99.84","0.04","90","","888.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.4477","0.2058","","","0.3984","0.5748","","","","","","0.931","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513308","9.2763","0.0015","5.9882","0.001","8.403","0.0017","90","","102.54","0.02","90","","455.64","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6.99 H4.99 N0.01 -","- C6.99 H4.99 N0.01 -","- C27.96 H19.96 N0.04 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1196","0.0723","","","0.1567","0.199","","","","","","0.948","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513309","7.0733","0.0006","4.9761","0.0005","12.6164","0.0011","90","","103.035","0.009","90","","432.62","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.13 H4.13 N0.87 -","- C6.13 H4.13 N0.87 -","- C24.52 H16.52 N3.48 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0607","0.0505","","","0.1266","0.1352","","","","","","1.163","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513310","7.1057","0.0013","4.9933","0.0007","12.597","0.002","90","","102.771","0.019","90","","435.9","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.2 H4.2 N0.8 -","- C6.2 H4.2 N0.8 -","- C24.8 H16.8 N3.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1201","0.0679","","","0.1146","0.137","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513311","7.1465","0.0012","4.9932","0.0008","12.6435","0.0015","90","","102.737","0.014","90","","440.07","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.24 H4.24 N0.75 -","- C6.25 H4.25 N0.75 -","- C25 H17 N3 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1403","0.0838","","","0.1843","0.2248","","","","","","1.047","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513312","11.1747","0.0013","5.9288","0.0007","13.5675","0.0016","90","","99.79","0.004","90","","885.79","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13.05 H9.05 N0.95 -","- C13.05 H9.05 N0.95 -","- C52.2 H36.2 N3.8 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1832","0.0792","","","0.1186","0.148","","","","","","1.012","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513313","9.2627","0.0011","5.9923","0.0006","8.4088","0.0012","90","","102.608","0.014","90","","455.47","0.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 -","- C7 H5 -","- C28 H20 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0869","0.0628","","","0.124","0.1487","","","","","","1.096","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513314","6.6849","0.0008","11.8463","0.0011","11.5162","0.0011","90","","93.874","0.012","90","","909.9","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.84 H8.84 N1.16 -","- C12.84 H8.84 N1.16 -","- C51.36 H35.36 N4.64 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1389","0.0829","","","0.1495","0.1727","","","","","","1.161","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513315","7.0829","0.0017","4.9885","0.0012","12.565","0.003","90","","103.028","0.005","90","","432.53","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.3 H8.3 N1.7 -","- C12.3 H8.3 N1.7 -","- C24.6 H16.6 N3.4 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0816","0.0579","","","0.0981","0.1044","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513316","6.7378","0.0008","11.612","0.002","11.4552","0.0015","90","","96.012","0.011","90","","891.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.61 H8.61 N1.39 -","- C12.6 H8.6 N1.4 -","- C50.4 H34.4 N5.6 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1918","0.0734","","","0.1236","0.1724","","","","","","0.984","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513317","7.0768","0.0005","4.9901","0.0004","12.6004","0.001","90","","103.047","0.002","90","","433.48","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.1 H8.1 N1.9 -","- C12.096 H8.096 N1.904 -","- C24.192 H16.192 N3.808 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0928","0.0568","","","0.1377","0.1561","","","","","","1.033","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513318","6.7049","0.0008","11.8516","0.001","11.5564","0.0012","90","","94.113","0.01","90","","915.95","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12.8 H8.8 N1.2 -","- C12.81 H8.81 N1.19 -","- C51.24 H35.24 N4.76 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.1196","0.0723","","","0.1436","0.1716","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513319","9.2981","0.0019","5.9945","0.0018","8.408","0.003","90","","102.5","0.03","90","","457.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13.98 H9.98 N0.02 -","- C13.98 H9.98 N0.02 -","- C27.96 H19.96 N0.04 -","2","0.5","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.2139","0.0948","","","0.1639","0.223","","","","","","1.006","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513320","9.2689","0.0006","5.9954","0.0003","8.4104","0.0006","90","","102.478","0.007","90","","456.33","0.05","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 -","- C7 H5 -","- C28 H20 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0611","0.0521","","","0.1239","0.1332","","","","","","1.117","","","","has coordinates","154543","2020-10-21","18:00:00",""
"4513321","7.1148","0.0007","4.9875","0.0005","12.6219","0.0013","90","","102.96","0.01","90","","436.48","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.2 H4.2 N0.8 -","- C6.2 H4.2 N0.8 -","- C24.8 H16.8 N3.2 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0724","0.058","","","0.1326","0.1487","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513322","9.2837","0.0013","5.9932","0.0008","8.4219","0.0011","90","","102.529","0.015","90","","457.43","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6.97 H4.97 N0.03 -","- C6.97 H4.97 N0.03 -","- C27.88 H19.88 N0.12 -","4","1","","Lusi, Matteo; Vitorica-Yrezabal, Inigo J.; Zaworotko, Michael J.","Expanding the Scope of Molecular Mixed Crystals Enabled by Three Component Solid Solutions","Crystal Growth & Design","2015","15","8","4098","","10.1021/acs.cgd.5b00685","","","0.71073","MoKα","","0.0918","0.0617","","","0.13","0.1585","","","","","","1.035","","","","has coordinates,has disorder","154543","2020-10-21","18:00:00",""
"4513323","17.022","0.0003","30.157","0.0005","18.757","0.0003","90","","112.985","0.001","90","","8864.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71073","MoKα","","0.0652","0.0517","","","0.1376","0.1586","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513324","16.8892","0.0007","30.019","0.0012","18.7067","0.0009","90","","113.36","0.001","90","","8706.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 Co9 N56 O28 W6 -","- C124 H75 Co9 N56 O28 W6 -","- C248 H150 Co18 N112 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","","0.71075","MoKα","","0.1315","0.0684","","","0.1373","0.1836","","","","","","1.094","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513325","16.831","0.0007","29.8285","0.0011","18.631","0.0008","90","","113.688","0.001","90","","8565.5","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.1259","0.0735","","","0.137","0.1631","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513326","19.985","0.002","19.985","0.002","19.985","0.002","90","","90","","90","","7982","1.4","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- B4 H8.52 K2.67 Na1.33 O31.26 P6 V2 -","- B4 K2.66667 Na1.3334 O31.26 P6 V2 -","- B48 K32 Na16.0008 O375.12 P72 V24 -","12","0.5","","Sun, Wei; Huang, Ya-Xi; Nokhrin, Sergiy; Pan, Yuanming; Mi, Jin-Xiao","Hydrothermal Synthesis of Open-Framework Borophosphates with Tunable Micropore Sizes, Crystal Morphologies, and Thermal Stabilities","Crystal Growth & Design","2015","15","8","3594","","10.1021/cg5017438","","","0.71073","MoKα","","0.028","0.0275","","","0.0779","0.0783","","","","","","1.093","","","","has coordinates","154562","2020-10-21","18:00:00",""
"4513327","8.3471","0.0017","20.085","0.004","19.236","0.004","90","","91.51","0.03","90","","3223.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O7 Zn -","- C36 H30 N4 O7 Zn -","- C144 H120 N16 O28 Zn4 -","4","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.2036","0.0781","","","0.1373","0.2025","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513328","9.3717","0.0019","11.209","0.002","12.227","0.002","109.67","0.03","96.74","0.03","96.16","0.03","1186.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O6 Zn -","- C28 H22 N O6 Zn -","- C56 H44 N2 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.0459","0.0415","","","0.0883","0.0911","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513329","9.1199","0.0018","11.616","0.002","15.685","0.003","96.54","0.03","100.43","0.03","106.4","0.03","1543.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 N2 O6 Zn -","- C35 H30 N2 O6 Zn -","- C70 H60 N4 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1449","0.081","","","0.1211","0.1424","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513330","9.5318","0.0019","12.49","0.003","14.214","0.003","76.45","0.03","86.68","0.03","83.09","0.03","1632.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H62 N8 O12 Zn -","- C80 H62 N8 O12 Zn -","- C80 H62 N8 O12 Zn -","1","0.5","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1193","0.0953","","","0.2279","0.2445","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513331","8.7037","0.0017","16.355","0.003","18.856","0.005","90","","115.71","0.02","90","","2418.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O6 Zn -","- C26 H21 N4 O6 Zn -","- C104 H84 N16 O24 Zn4 -","4","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1064","0.0881","","","0.1666","0.1749","","","","","","1.226","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513332","9.8901","0.0008","11.0011","0.0007","11.9223","0.0011","82.982","0.006","77.657","0.007","65.772","0.007","1154.71","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N2 O6 Zn -","- C25 H23 N2 O6 Zn -","- C50 H46 N4 O12 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.0376","0.0325","","","0.0763","0.0796","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513333","9.8893","0.0009","12.2772","0.0011","15.8563","0.0016","75.014","0.008","76.456","0.008","82.337","0.007","1802.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N4 O11 Zn -","- C42 H30 N4 O11 Zn -","- C84 H60 N8 O22 Zn2 -","2","1","","Wang, Shu-Long; Hu, Fei-Long; Zhou, Ju-Ying; Zhou, Yan; Huang, Qin; Lang, Jian-Ping","Rigidity versus Flexibility of Ligands in the Assembly of Entangled Coordination Polymers Based on Bi- and Tetra Carboxylates and N-Donor Ligands","Crystal Growth & Design","2015","15","8","4087","","10.1021/acs.cgd.5b00642","","","0.71073","MoKα","","0.1559","0.0747","","","0.1374","0.1769","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513334","7.02064","0.00013","8.77851","0.00023","13.10841","0.00022","96.8928","0.0014","90.8323","0.0017","115.464","0.0018","722.15","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","Theophylline 4-aminobenzoic acid cocrystal","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C28 H30 N10 O8 -","2","1","","Fernandes, José A.; Sardo, Mariana; Mafra, Luís; Choquesillo-Lazarte, Duane; Masciocchi, Norberto","X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding","Crystal Growth & Design","2015","15","8","3674","","10.1021/acs.cgd.5b00279","powder diffraction","","1.5418","CuKa","","","","","","","","","","14.3","","","","","","","has coordinates","154554","2020-10-21","18:00:00",""
"4513335","10.4505","0.0005","12.4248","0.0005","17.995","0.0008","90","","99.758","0.003","90","","2302.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N9 O7 -","- C21 H23 N9 O7 -","- C84 H92 N36 O28 -","4","1","","Fernandes, José A.; Sardo, Mariana; Mafra, Luís; Choquesillo-Lazarte, Duane; Masciocchi, Norberto","X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding","Crystal Growth & Design","2015","15","8","3674","","10.1021/acs.cgd.5b00279","","","1.54178","CuKα","","0.0625","0.0461","","","0.1141","0.1244","","","","","","1.034","","","","has coordinates","154554","2020-10-21","18:00:00",""
"4513336","4.8741","0.0002","31.8905","0.001","8.1176","0.0006","90","","104.153","0.007","90","","1223.48","0.12","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(3-bromo-2-methylphenyl)anthranilic acid","N-(3-bromo-2-methylphenyl)anthranilic acid","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0968","0.0823","","","0.2215","0.2419","","","","","","1.024","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513337","3.8903","0.0001","22.1951","0.0004","14.3302","0.001","90","","94.991","0.007","90","","1232.66","0.1","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54178","CuKα","","0.0371","0.0339","","","0.0858","0.0892","","","","","","1.137","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513338","11.3655","0.0011","7.6045","0.0006","29.54","0.002","90","","95.385","0.007","90","","2541.8","0.4","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-(3-bromo-2-methylphenyl)anthranilic acid","N-(3-bromo-2-methylphenyl)anthranilic acid","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C112 H96 Br8 N8 O16 -","8","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1324","0.0857","","","0.1785","0.2109","","","","","","1.031","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513339","3.8066","0.0001","11.1261","0.0003","13.2491","0.0009","91.314","0.006","90.823","0.006","97.691","0.007","555.85","0.04","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0779","0.064","","","0.1827","0.1935","","","","","","1.157","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513340","4.0009","0.0001","8.6998","0.0002","16.337","0.0012","101.9","0.007","92.486","0.007","97.827","0.007","549.74","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C26 H20 Cl2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0478","0.0429","","","0.1161","0.1204","","","","","","1.148","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513341","8.7028","0.0001","17.8022","0.0003","23.3691","0.0016","105.718","0.007","91.757","0.007","103.664","0.007","3369.1","0.3","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C156 H120 Cl12 N12 O24 -","12","6","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1436","0.0458","","","0.1072","0.131","","","","","","0.966","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513342","11.7458","0.0003","7.41756","0.00013","26.4949","0.0005","90","","100.327","0.001","90","","2270.98","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0392","0.0368","","","0.1001","0.1018","","","","","","1.082","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513343","7.1535","0.0005","25.0556","0.0016","7.3743","0.001","90","","118.367","0.006","90","","1163","0.2","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-methylphenyl)anthranilic acid","N-(2-methylphenyl)anthranilic acid","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.0782","0.0636","","","0.1623","0.179","","","","","","1.164","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513344","3.8698","0.0001","11.1898","0.0005","13.2866","0.0009","90.577","0.006","91.09","0.006","98.171","0.007","569.35","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C26 H20 Br2 N2 O4 -","2","1","","López-Mejías, Vilmalí; Matzger, Adam J.","Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore","Crystal Growth & Design","2015","15","8","3955","","10.1021/acs.cgd.5b00570","","","1.54187","CuKα","","0.1432","0.1177","","","0.2744","0.3094","","","","","","0.995","","","","has coordinates","154564","2020-10-21","18:00:00",""
"4513345","8.947","0.006","10.051","0.003","11.786","0.003","103.92","0.05","93.69","0.03","117.43","0.03","894","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydro- chromeno[4,3-c]pyrazole","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.6","synchrotron","","0.0416","0.037","","","0.0928","0.0961","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513346","8.9469","0.0003","12.4892","0.0005","16.8658","0.0007","100.516","0.004","90.244","0.003","91.525","0.003","1852.19","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Methyl-4-phenyl-2,3,3a,4-tetrahydro-chromeno[4,3-c]pyrazol-3-yl)-benzonitrile","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","2","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","x-ray","1.54184","CuKα","","0.0449","0.0396","","","0.0992","0.1042","","","","","","1.041","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513347","5.9801","0.0001","21.5852","0.0006","30.3091","0.0009","90","","90","","90","","3912.35","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Methyl-4-phenyl-2,3,3a,4-terahydro-chromeno[4,3-c]pyrazol-3-yl)-phenol","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","1.54184","CuKα","","0.0435","0.0354","","","0.0909","0.0976","","","","","","0.945","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513348","8.882","0.001","10.347","0.001","12.847","0.003","112.895","0.001","107.41","0.03","68.403","0.001","994.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3-(4-chloro-phenyl)-2-methyl-4-phenyl-2,3,3a,4-tetrahydro-chromeno [4,3-c]pyrazole","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C46 H38 Cl2 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.6","synchrotron","","0.04","0.037","","","0.0956","0.0979","","","","","","1.023","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513349","11.7963","0.0003","6.181","0.0002","25.7363","0.0007","90","","100.795","0.002","90","","1843.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydro-chromeno [4,3-c]pyrazol-8-ol","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.71073","MoKα","","0.0811","0.0392","","","0.0747","0.0817","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513350","9.1712","0.0005","10.0227","0.0008","12.0716","0.0006","92.457","0.005","93.992","0.004","116.765","0.007","984.9","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(4-bromo-phenyl)-2-methyl-4phenyl-2,3,3a,4-tetrahydro-chromeno [4,30c]pyrazole","","- C23 H19 Br N2 O -","- C23 H19 Br N2 O -","- C46 H38 Br2 N4 O2 -","2","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","0.71073","MoKα","","0.0288","0.0257","","","0.0712","0.0716","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513351","5.3387","0.0019","7.7592","0.0012","20.428","0.005","82.056","0.017","87.16","0.02","79.09","0.02","822.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 Cl N2 O -","- C14 H29 Cl N2 O -","- C28 H58 Cl2 N4 O2 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0924","0.0692","","","0.2","0.2173","","","","","","1.122","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513352","5.3607","0.0002","7.7232","0.0002","20.4674","0.0006","82.1449","0.0012","87.2216","0.0012","78.9156","0.0012","823.56","0.04","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 Cl N2 O -","- C14 H29 Cl N2 O -","- C28 H58 Cl2 N4 O2 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.051","0.0372","","","0.0918","0.1003","","","","","","1.037","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513353","7.2807","0.0002","8.471","0.0002","43.0059","0.0011","85.046","0.0013","89.8188","0.0014","70.9453","0.0013","2496.8","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28.62 Cl N2 O0.95 -","- C14 H28.3333 Cl N2 O0.95 -","- C84 H170 Cl6 N12 O5.7 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.073","0.0531","","","0.1315","0.145","","","","","","1.027","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513354","7.344","0.006","8.508","0.007","43.39","0.04","84.77","0.05","89.32","0.05","70.73","0.05","2548","4","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28.63 Cl N2 O0.97 -","- C14 H28.3333 Cl N2 O0.966667 -","- C84 H170 Cl6 N12 O5.8 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0996","0.0499","","","0.1037","0.1231","","","","","","0.998","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513355","7.3494","0.0005","8.4551","0.0005","42.735","0.007","83.125","0.009","89","0.009","69.871","0.004","2474.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl N2 O0.5 -","- C14 H27 Cl N2 O0.5 -","- C84 H162 Cl6 N12 O3 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0939","0.0682","","","0.1771","0.206","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513356","7.3264","0.0018","8.371","0.002","42.879","0.016","82.9","0.007","89.106","0.011","69.909","0.008","2449.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H27.93 Cl N2 O0.47 -","- C14 H27 Cl N2 O0.483333 -","- C84 H162 Cl6 N12 O2.9 -","6","3","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.56085","AgKα","","0.1725","0.148","","","0.2968","0.3127","","","","","","1.169","","","","has coordinates,has disorder","154573","2020-10-21","18:00:00",""
"4513357","5.3513","0.0005","7.2152","0.0008","22.706","0.005","83.711","0.014","89.209","0.013","82.429","0.007","863.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33 Cl N2 O3 -","- C14 H33 Cl N2 O3 -","- C28 H66 Cl2 N4 O6 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0747","0.0463","","","0.0942","0.1065","","","","","","1.078","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513358","5.2844","0.0005","7.0547","0.0004","22.364","0.002","83.949","0.006","88.487","0.007","83.478","0.006","823.63","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33 Cl N2 O3 -","- C14 H33 Cl N2 O3 -","- C28 H66 Cl2 N4 O6 -","2","1","","Saouane, Sofiane; Fabbiani, Francesca P. A.","Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures","Crystal Growth & Design","2015","15","8","3875","","10.1021/acs.cgd.5b00494","","","0.71073","MoKα","","0.0737","0.0494","","","0.1206","0.1433","","","","","","1.107","","","","has coordinates","154573","2020-10-21","18:00:00",""
"4513359","7.8532","0.0004","18.8955","0.0008","22.8742","0.001","90","","90","","90","","3394.3","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C84 H170 Cl8 Cu8 N24 O42 -","4","1","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0774","0.0631","","","0.181","0.1922","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513360","10.1247","0.0003","10.3908","0.0003","10.4233","0.0006","96.318","0.002","102.64","0.002","115.983","0.001","934.96","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cu6 N12 O2 S6 -","- C22 H32 Cu6 N12 O2 S6 -","- C22 H32 Cu6 N12 O2 S6 -","1","0.5","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0322","0.0274","","","0.0753","0.0778","","","","","","1.073","","","","has coordinates","154560","2020-10-21","18:00:00",""
"4513361","11.7972","0.0006","13.8115","0.0007","10.667","0.0005","90","","98.116","0.002","90","","1720.64","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cu4 N10 O2 S4 -","- C24 H40 Cu4 N10 O2 S4 -","- C48 H80 Cu8 N20 O4 S8 -","2","0.5","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0507","0.0381","","","0.0961","0.1022","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513362","10.371","0.002","10.371","0.002","10.371","0.002","90","","90","","90","","1115.5","0.4","293","2","293","2","7710000","80000","7710000","80000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.1087","0.0884","","","0.171","0.1826","","","","","","1.164","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513363","9.941","0.003","9.941","0.003","9.941","0.003","90","","90","","90","","982.4","0.5","293","2","293","2","17590000","50000","17590000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0965","0.0839","","","0.2486","0.2562","","","","","","1.226","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513364","9.633","0.003","9.633","0.003","9.633","0.003","90","","90","","90","","893.9","0.5","293","2","293","2","29830000","50000","29830000","50000","","","","3","F d -3 m","-F 4vw 2vw 3","227","","","","- As4 He2 O6 -","- As4 He2 O6 -","- As32 He16 O48 -","8","","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0908","0.0717","","","0.2036","0.2212","","","","","","1.268","","","","has coordinates","154563","2020-10-21","18:00:00",""
"4513365","22.4474","0.001","15.6808","0.0008","17.7412","0.0014","90","","106.672","0.007","90","","5982.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cd N12 O14.5 -","- C52 H42 Cd N12 O14.5 -","- C208 H168 Cd4 N48 O58 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.1146","0.0744","","","0.1947","0.2387","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513366","21.6645","0.0007","16.7527","0.0005","19.1286","0.0008","90","","112.582","0.004","90","","6410.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd N14 O16 -","- C62 H58 Cd N14 O16 -","- C248 H232 Cd4 N56 O64 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.0834","0.0558","","","0.1497","0.1695","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513367","21.6201","0.001","16.8333","0.0006","19.1726","0.0008","90","","112.705","0.005","90","","6436.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64.5 Cd N14 O15.5 -","- C62 H56 Cd N14 O16.5 -","- C248 H224 Cd4 N56 O66 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.1499","0.0781","","","0.197","0.2544","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513368","15.456","0.002","33.898","0.004","17.976","0.004","90","","96.038","0.018","90","","9366","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd N6 O9.5 -","- C40 H29 Cd N6 O9.5 -","- C320 H232 Cd8 N48 O76 -","8","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71073","MoKα","","0.183","0.0885","","","0.2303","0.3097","","","","","","0.967","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513369","20.425","0.0007","16.723","0.0009","16.362","0.001","90","","102.987","0.005","90","","5445.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 N13 O13 Zn -","- C55 H42 N13 O14 Zn -","- C220 H168 N52 O56 Zn4 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71069","MoKα","","0.1399","0.0883","","","0.237","0.2795","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513370","22.686","0.005","16.143","0.005","18.092","0.005","90","0.005","108.233","0.005","90","0.005","6293","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 Cd0.14 Cu0.87 N12 O14.5 -","- C52 H42 Cd0.13 Cu0.87 N12 O15.5 -","- C208 H168 Cd0.52 Cu3.48 N48 O62 -","4","1","","Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties","Crystal Growth & Design","2015","15","8","3822","","10.1021/acs.cgd.5b00469","","","0.71069","MoKα","","0.1537","0.1004","","","0.2536","0.2988","","","","","","1.186","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513371","24.5191","0.0013","24.5191","0.0013","24.5191","0.0013","90","","90","","90","","14740.5","1.4","183","2","183","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C16 H96.2 O30.6 P -","- C16 H60 O30.608 P -","- C192 H720 O367.296 P12 -","12","0.25","","Kobori, Takayuki; Muromachi, Sanehiro; Yamasaki, Tatsuro; Takeya, Satoshi; Yamamoto, Yoshitaka; Alavi, Saman; Ohmura, Ryo","Phase Behavior and Structural Characterization of Ionic Clathrate Hydrate Formed with Tetra-n-butylphosphonium Hydroxide: Discovery of Primitive Crystal Structure","Crystal Growth & Design","2015","15","8","3862","","10.1021/acs.cgd.5b00484","","","0.7107","MoKα","","0.0734","0.0662","","","0.1883","0.2075","","","","","","1.079","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513372","20.3925","0.0016","30.31","0.002","19.4127","0.0015","90","","104.241","0.001","90","","11630.2","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C124 H154 O31 -","- C124 H152 O31 -","- C496 H608 O124 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","0.71073","MoKα","","0.1466","0.0707","","","0.181","0.2287","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513373","19.858","0.002","20.88","0.003","22.297","0.003","90.84","0.002","114.042","0.002","105.603","0.002","8050.4","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C183 H224 O29 -","- C183 H224 O29 -","- C366 H448 O58 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","0.71073","MoKα","","0.1459","0.0959","","","0.2689","0.3158","","","","","","1.048","","","","has coordinates,has disorder","154566","2020-10-21","18:00:00",""
"4513374","16.9687","0.0007","20.0883","0.0009","22.4387","0.001","101.325","0.003","90.098","0.003","95.339","0.003","7465.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C170 H199 N6 O30 -","- C169.998 H199 N6 O30 -","- C339.996 H398 N12 O60 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Selective Complexation in Three Component Cocrystals Composed of Pyrogallol[4]arene and Fluorescent Probes Pyrene and 1-(2-Pyridylazo)-2-naphthol","Crystal Growth & Design","2015","15","8","3992","","10.1021/acs.cgd.5b00609","","","1.54178","CuKα","","0.1494","0.1167","","","0.3195","0.3499","","","","","","1.325","","","","has coordinates,has disorder","154566","2020-10-21","18:00:00",""
"4513375","14.55","0.17","5.47","0.08","17.4","0.2","90","","90","","89","1.2","1385","3","300","","300","","","","","","","","","4","P 1 1 21","P 2c","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","4","","Yu, Dehong; Sun, Dehui; Avdeev, Maxim; Wu, Qian; Tian, Xiangxin; Gu, Qinfen; Tao, Xutang","New High-Pressure Polymorph of the Nonlinear Optical Crystal BaTeMo2O9","Crystal Growth & Design","2015","15","7","3110","","10.1021/acs.cgd.5b00421","powder diffraction","","0.6205","","","","","","","","","","","89.76","","","","","","","has coordinates","140962","2020-10-21","18:00:00",""
"4513376","13.719","0.006","14.024","0.007","16.39","0.008","67.008","0.008","76.671","0.008","84.904","0.009","2825","2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H63 N5 Nb6 O25 -","- C20 H63 N5 Nb6 O25 -","- C40 H126 N10 Nb12 O50 -","2","1","","Fullmer, Lauren B.; Mansergh, Ryan H.; Zakharov, Lev N.; Keszler, Douglas A.; Nyman, May","Nb2O5and Ta2O5Thin Films from Polyoxometalate Precursors: A Single Proton Makes a Difference","Crystal Growth & Design","2015","15","8","3885","","10.1021/acs.cgd.5b00508","","","","","","0.135","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513377","39.58","0.004","39.58","0.004","27.445","0.005","90","","90","","90","","42995","10","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H22 Cu2 O12 -","- C48 H22 Cu2 O12 -","- C384 H176 Cu16 O96 -","8","0.25","","Cai, Jianfeng; Yu, Jiancan; Wang, Hailong; Duan, Xing; Zhang, Qi; Wu, Chuande; Cui, Yuanjing; Yu, Yang; Wang, Zhiyu; Chen, Banglin; Qian, Guodong","A Noninterpenetrated Metal‒Organic Framework Built from an Enlarged Tetracarboxylic Acid for Small Hydrocarbon Separation","Crystal Growth & Design","2015","15","8","4071","","10.1021/acs.cgd.5b00675","","","0.71073","MoKα","","0.1712","0.0529","","","0.1434","0.1964","","","","","","0.975","","","","has coordinates","154547","2020-10-21","18:00:00",""
"4513378","13.0675","0.0007","11.2831","0.0008","19.3721","0.0014","90","","90.518","0.005","90","","2856.1","0.3","90","1","90","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 O -","- C11 H18 O -","- C132 H216 O12 -","12","3","","Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.","Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol","Crystal Growth & Design","2015","15","8","4149","","10.1021/acs.cgd.5b00764","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513379","20.4409","0.0014","11.9176","0.0014","14.9473","0.0011","90","","90","","90","","3641.3","0.6","139","","139","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C80 H40 N24 O32 Zn8 -","8","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng","Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene","Crystal Growth & Design","2015","15","8","3999","","10.1021/acs.cgd.5b00614","","","0.71073","MoKα","","0.0797","0.0549","","","0.1716","0.1866","","","","","","1.042","","","","has coordinates","154568","2020-10-21","18:00:00",""
"4513380","10.9484","0.0003","12.106","0.0004","14.7728","0.0005","90","","109.791","0.003","90","","1842.35","0.11","127.5","0.14","127.5","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Chen, Di-Ming; Ma, Xiao-Zhou; Shi, Wei; Cheng, Peng","Solvent-Induced Topological Diversity of Two Zn(II) Metal‒Organic Frameworks and High Sensitivity in Recyclable Detection of Nitrobenzene","Crystal Growth & Design","2015","15","8","3999","","10.1021/acs.cgd.5b00614","","","0.71073","MoKα","","0.0596","0.055","","","0.14","0.1421","","","","","","1.149","","","","has coordinates","154568","2020-10-21","18:00:00",""
"4513381","14.441","0.003","10.325","0.002","8.9596","0.0018","90","","96.25","0.03","90","","1328","0.5","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H18 N10 O4 Zn2 -","- C26 H18 N10 O4 Zn2 -","- C52 H36 N20 O8 Zn4 -","2","1","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0444","0.0399","","","0.0806","0.0952","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513382","9.912","0.002","12.884","0.003","14.024","0.003","90","","90","","90","","1791","0.7","298","2","298","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C28 H26 N12 O11 Zn4 -","- C28 H26 N12 O11 Zn4 -","- C56 H52 N24 O22 Zn8 -","2","0.25","","Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun","Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands","Crystal Growth & Design","2015","15","8","4020","","10.1021/acs.cgd.5b00637","","","0.71073","MoKα","","0.0278","0.0275","","","0.0754","0.0758","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513383","12.3687","0.0005","12.3687","0.0005","44.436","0.002","90","","90","","90","","6798","0.5","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-2A","","","- C72 H78 N4 O11 Ti2 -","- C72 H78 N4 O11 Ti2 -","- C288 H312 N16 O44 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0429","0.0389","","","0.1084","0.1112","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513384","19.0457","0.0003","19.0457","0.0003","41.0671","0.0011","90","","90","","120","","12900.9","0.4","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","(R,R,SN-R,R,SN)-Ti-4A","","","- C76 H78 N4 O11 Ti2 -","- C76 H78 N4 O11 Ti2 -","- C456 H468 N24 O66 Ti12 -","6","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1148","0.0641","","","0.1676","0.1808","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513385","11.5315","0.0009","19.176","0.0015","13.4627","0.0011","90","","98.481","0.003","90","","2944.4","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","(/l,R,R,SN-/l,R,R,SN)-1B","","","- C65 H61 Cl3 N4 O6 Ti2 -","- C65 H61 Cl3 N4 O6 Ti2 -","- C130 H122 Cl6 N8 O12 Ti4 -","2","1","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.1222","0.0657","","","0.1565","0.2103","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513386","12.2324","0.0004","12.2324","0.0004","45.9762","0.0016","90","","90","","90","","6879.5","0.4","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(R,R,SN-R,R,SN)-Ti-3A","","","- C68 H66 Br4 N4 O7 Ti2 -","- C68 H66 Br4 N4 O7 Ti2 -","- C272 H264 Br16 N16 O28 Ti8 -","4","0.5","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.042","0.0339","","","0.091","0.0934","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513387","13.8302","0.0005","15.4438","0.0005","16.7517","0.0006","108.353","0.001","90.647","0.001","116.089","0.001","3002.56","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","(/l,R,R,SN-/l,R,R,SN)-Ti-3B","","","- C64 H56 Br4 N4 O6 Ti2 -","- C64 H56 Br4 N4 O6 Ti2 -","- C128 H112 Br8 N8 O12 Ti4 -","2","2","","Talsi, Evgenii P.; Rybalova, Tatyana V.; Bryliakov, Konstantin P.","Isoinversion Behavior in the Enantioselective Oxidations of Pyridylmethylthiobenzimidazoles to Chiral Proton Pump Inhibitors on Titanium Salalen Complexes","ACS Catalysis","2015","5","8","4673","","10.1021/acscatal.5b01212","","","0.71073","MoKα","","0.0399","0.0314","","","0.086","0.0886","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513388","10.8994","0.0008","13.982","0.0011","18.0745","0.0015","90","","103.637","0.002","90","","2676.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.146","0.0668","","","0.1274","0.1413","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513389","10.8701","0.0009","14.2382","0.0012","18.8214","0.0016","90","","106.714","0.002","90","","2789.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N8 O5 -","- C27 H34 N8 O5 -","- C108 H136 N32 O20 -","4","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.1577","0.0645","","","0.1621","0.2043","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513390","31.235","0.009","11.605","0.002","13.897","0.003","90","","115.15","0.03","90","","4560","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N7 O3 -","- C24 H23 N7 O3 -","- C192 H184 N56 O24 -","8","1","","Chi, Yingnan; Xu, Wenting; Yang, Yan; Yang, Zhichao; Lv, Hongjin; Yang, Song; Lin, Zhengguo; Li, Jikun; Gu, Jingkai; Hill, Craig L.; Hu, Changwen","Three Candesartan Salts with Enhanced Oral Bioavailability","Crystal Growth & Design","2015","15","8","3707","","10.1021/acs.cgd.5b00297","","","0.71073","MoKα","","0.0964","0.0688","","","0.2072","0.2327","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513392","10.3943","0.0008","7.7222","0.0005","11.8976","0.001","90","","112.922","0.01","90","","879.57","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.038","0.0348","","","0.085","0.0878","","","","","","1.037","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513393","6.7394","0.0003","7.9886","0.0003","13.3084","0.001","90","","94.308","0.005","90","","714.48","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0628","0.0505","","","0.1105","0.1178","","","","","","1.047","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513394","6.8172","0.0008","7.9216","0.0009","12.594","0.002","90","","103.04","0.016","90","","662.58","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0483","0.0427","","","0.1127","0.1179","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513395","6.7343","0.0004","8.0362","0.0004","12.9186","0.0007","90","","100.314","0.006","90","","687.83","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C30 H26 Cl2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0329","0.0307","","","0.0782","0.0801","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513396","6.7098","0.0004","8.0495","0.0004","13.1003","0.0008","90","","98.867","0.006","90","","699.1","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C30 H26 Br2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.052","0.0446","","","0.1099","0.1178","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513397","6.7108","0.0004","7.9363","0.0004","13.241","0.0008","90","","98.269","0.006","90","","697.87","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.045","0.0397","","","0.0924","0.0967","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513398","6.974","0.0003","7.8282","0.0003","12.5581","0.0006","90","","105.511","0.005","90","","660.63","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C30 H26 F2 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0324","0.0303","","","0.0753","0.0773","","","","","","0.95","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513399","6.9705","0.0003","7.7622","0.0004","25.4745","0.0012","90","","90","","90","","1378.33","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0392","0.035","","","0.0773","0.08","","","","","","1.072","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513400","7.0276","0.0004","7.7445","0.0005","25.6078","0.0013","90","","90","","90","","1393.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0481","0.036","","","0.0834","0.0898","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513401","7.1806","0.0006","7.7128","0.0007","25.267","0.002","90","","90","","90","","1399.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.063","0.0422","","","0.0822","0.0965","","","","","","1.035","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513402","5.1707","0.0005","13.2714","0.0012","20.434","0.002","90","","90","","90","","1402.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0684","0.0474","","","0.0943","0.1043","","","","","","1.069","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513403","5.2563","0.0005","9.7698","0.0012","26.617","0.003","90","","90","","90","","1366.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0937","0.0653","","","0.1008","0.1095","","","","","","1.126","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513404","5.1883","0.0006","9.8853","0.001","27.403","0.003","90","","90","","90","","1405.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0624","0.0451","","","0.1012","0.1121","","","","","","0.898","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513405","20.316","0.0018","5.205","0.0003","13.5364","0.0014","90","","114.387","0.012","90","","1303.7","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C60 H52 F4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0406","0.0351","","","0.0854","0.0904","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513406","18.549","0.003","13.827","0.002","5.3162","0.0007","90","","90","","90","","1363.5","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0512","0.0448","","","0.1147","0.1213","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513407","5.4131","0.0002","13.2515","0.0006","18.5144","0.0009","90","","90","","90","","1328.07","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0418","0.0358","","","0.0995","0.1055","","","","","","1.064","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513408","5.2034","0.0001","9.7982","0.0002","26.4764","0.0005","90","","90","","90","","1349.87","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0334","0.0317","","","0.0825","0.084","","","","","","1.058","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513409","5.26","0.0003","9.7112","0.0005","26.707","0.002","90","","90","","90","","1364.22","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0517","0.0379","","","0.0768","0.0822","","","","","","1.004","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513410","5.232","0.0004","13.79","0.0013","18.6379","0.0017","90","","90","","90","","1344.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0544","0.0509","","","0.1474","0.1502","","","","","","1.171","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513411","8.2225","0.0004","5.7932","0.0003","14.5687","0.0006","90","","90.377","0.004","90","","693.96","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0321","0.0309","","","0.0802","0.0813","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513412","8.3299","0.0003","5.7214","0.0002","17.5391","0.0005","90","","91.143","0.003","90","","835.72","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0352","0.0329","","","0.0873","0.0892","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513413","8.6581","0.0007","5.1375","0.0003","15.7993","0.001","90","","100.982","0.007","90","","689.9","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0478","0.0427","","","0.1119","0.1221","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513414","25.096","0.002","5.6957","0.0004","20.3318","0.0015","90","","107.199","0.006","90","","2776.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0411","0.0362","","","0.0942","0.0989","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513417","13.0395","0.0003","17.6175","0.0004","8.4419","0.0002","90","","104.56","0.002","90","","1877.02","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N7 O3 -","- C20 H19 N7 O3 -","- C80 H76 N28 O12 -","4","1","","Li, Ai-Yan; Xu, Lin-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Solubility and Dissolution Rate Enhancement of Triamterene by a Cocrystallization Method","Crystal Growth & Design","2015","15","8","3785","","10.1021/acs.cgd.5b00439","","","1.54178","CuKα","","0.0551","0.0409","","","0.0932","0.1013","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513418","6.7826","0.0007","8.4877","0.0009","17.628","0.002","78.261","0.01","89.201","0.01","86.338","0.009","991.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N8 O4 S -","- C19 H18 N8 O4 S -","- C38 H36 N16 O8 S2 -","2","1","","Li, Ai-Yan; Xu, Lin-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Solubility and Dissolution Rate Enhancement of Triamterene by a Cocrystallization Method","Crystal Growth & Design","2015","15","8","3785","","10.1021/acs.cgd.5b00439","","","1.54178","CuKα","","0.077","0.0494","","","0.112","0.1326","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513419","10.2394","0.0003","37.7863","0.001","10.0731","0.0003","90","","97.144","0.001","90","","3867.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O14 Pb2 -","- C42 H42 N2 O14 Pb2 -","- C168 H168 N8 O56 Pb8 -","4","1","","Lee, Eunji; Kim, Younghoon; Heo, Jungseok; Park, Ki-Min","3D Metal‒Organic Framework Based on a Lower-Rim Acid-Functionalized Calix[4]arene: Crystal-to-Crystal Transformation upon Lattice Solvent Removal","Crystal Growth & Design","2015","15","8","3556","","10.1021/acs.cgd.5b00746","","","0.71073","MoKα","","0.0384","0.0314","","","0.0791","0.0817","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513420","17.6121","0.0016","36.855","0.003","10.0608","0.0009","90","","92.548","0.005","90","","6523.9","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 O24 Pb4 -","- C72 H56 O24 Pb4 -","- C288 H224 O96 Pb16 -","4","1","","Lee, Eunji; Kim, Younghoon; Heo, Jungseok; Park, Ki-Min","3D Metal‒Organic Framework Based on a Lower-Rim Acid-Functionalized Calix[4]arene: Crystal-to-Crystal Transformation upon Lattice Solvent Removal","Crystal Growth & Design","2015","15","8","3556","","10.1021/acs.cgd.5b00746","","","0.71073","MoKα","","0.2525","0.197","","","0.4201","0.4447","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513421","12.8995","0.0005","18.6577","0.0008","7.1839","0.0003","90","","90","","90","","1728.99","0.12","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua 4,4-bipyridyl-dicyanoacetatocobalt(II)","","- C16 H16 Co N4 O6 -","- C16 H16 Co N4 O6 -","- C64 H64 Co4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.029","0.0258","","","0.0743","0.0766","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513422","4.8966","0.0001","13.378","0.0004","17.6679","0.0005","90","","101.794","0.001","90","","1132.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di(mu-cyanoacetato)-mu-pyrazinecopper(II)","","- C10 H8 Cu N4 O4 -","- C10 H8 Cu N4 O4 -","- C40 H32 Cu4 N16 O16 -","4","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0731","0.0567","","","0.1378","0.1488","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513423","12.7963","0.0012","18.0945","0.0017","7.4363","0.0007","90","","90","","90","","1721.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","diaqua(4,4-bipyridyl)dicyanoacetatocopper(II)","","- C16 H16 Cu N4 O6 -","- C16 H16 Cu N4 O6 -","- C64 H64 Cu4 N16 O24 -","4","0.5","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0395","0.0347","","","0.0921","0.0958","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513424","9.6394","0.0007","10.0132","0.0007","10.2337","0.0007","97.073","0.002","91.002","0.002","117.107","0.001","869.55","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di(mu-cyanoacetato)(1,2-di(4-pyridyl)ethylene)copper(II)","","- C18 H14 Cu N4 O4 -","- C18 H14 Cu N4 O4 -","- C36 H28 Cu2 N8 O8 -","2","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0625","0.0467","","","0.1001","0.1064","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513425","23.9507","0.0012","11.7986","0.0006","14.5996","0.0008","90","","110.044","0.001","90","","3875.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di(mu-cyanoacetato)(1,2-di(4-pyridyl)ethylene)copper(II)monohydrate","","- C18 H14 Cu N4 O5 -","- C18 H14 Cu N4 O5 -","- C144 H112 Cu8 N32 O40 -","8","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.0405","0.0322","","","0.082","0.0864","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513426","8.1148","0.0003","10.2084","0.0003","12.339","0.0004","105.745","0.001","95.226","0.001","110.908","0.001","898.72","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di(mu-cyanoacetato)(1,2-bis(4-pyridyl)ethane)copper(II)","","- C18 H16 Cu N4 O4 -","- C18 H16 Cu N4 O4 -","- C36 H32 Cu2 N8 O8 -","2","1","","Suvanvapee, Porntiva; Boonmak, Jaursup; Klongdee, Fatima; Pakawatchai, Chaveng; Moubaraki, Boujemaa; Murray, Keith S.; Youngme, Sujittra","A Series of Cyanoacetato Copper(II) Coordination Polymers with VariousN,N′-Ditopic Spacers: Structural Diversity, Supramolecular Robustness, and Magnetic Properties","Crystal Growth & Design","2015","15","8","3804","","10.1021/acs.cgd.5b00453","","","0.71073","MoKα","","0.042","0.0331","","","0.0837","0.0882","","","","","","1.056","","","","has coordinates","154546","2020-10-21","18:00:00",""
"4513427","15.749","0.002","9.2252","0.0015","12.014","0.0018","90","","102.969","0.013","90","","1701","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Cl4 Cu2 N2 -","- C10 H8 Br2 Cl4 Cu2 N2 -","- C40 H32 Br8 Cl16 Cu8 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.","Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","8","3746","","10.1021/acs.cgd.5b00393","","","0.71073","MoKα","","0.0735","0.0532","","","0.1383","0.1528","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513428","7.4469","0.0015","15.272","0.003","9.1109","0.0018","90","","109.39","0.03","90","","977.4","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(2-BrPy)2Cu2Cl6]n","","","- C10 H8 Br2 Cl6 Cu3 N2 -","- C10 H8 Br2 Cl6 Cu3 N2 -","- C20 H16 Br4 Cl12 Cu6 N4 -","2","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.","Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers","Crystal Growth & Design","2015","15","8","3746","","10.1021/acs.cgd.5b00393","","","0.71073","MoKα","","0.0382","0.0299","","","0.066","0.0688","","","","","","1.051","","","","has coordinates","154548","2020-10-21","18:00:00",""
"4513429","22.6558","0.0014","22.6558","0.0014","6.4981","0.0005","90","","90","","120","","2888.5","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C10 H17 N3 O10 U -","- C10 H17 N3 O10 U -","- C60 H102 N18 O60 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0202","0.018","","","0.0413","0.0421","","","","","","1.101","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513430","14.714","0.002","14.714","0.002","9.165","0.002","90","","90","","120","","1718.4","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C7 H3 N O8 U -","- C7 H3 N O7.9999 U -","- C42 H18 N6 O47.9994 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0428","0.0307","","","0.0696","0.0748","","","","","","1.085","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513431","6.5215","0.001","12.771","0.002","13.063","0.002","110.962","0.005","90.309","0.005","98.608","0.005","1002.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H25 N3 O14 U -","- C10 H25 N3 O14 U -","- C20 H50 N6 O28 U2 -","2","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0466","0.0324","","","0.071","0.0757","","","","","","0.927","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513432","14.5783","0.0007","14.5783","0.0007","9.227","0.0006","90","","90","","120","","1698.26","0.16","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C7 H3 N O7.33 U -","- C7 H3 N O7.3332 U -","- C42 H18 N6 O43.9992 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0227","0.0198","","","0.051","0.0518","","","","","","1.125","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513433","22.5295","0.0008","22.5295","0.0008","6.5451","0.0002","90","","90","","120","","2877.07","0.17","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C11.33 H20 N3 O10.33 U -","- C11.3333 H20 N3 O10.3333 U -","- C68 H120 N18 O62 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0275","0.0233","","","0.0713","0.081","","","","","","1.137","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4513434","20.7471","0.0005","26.2764","0.0006","36.8943","0.0005","90","","90","","90","","20113.3","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C44 H26 Cd6 N12 O21 -","- C44 H26 Cd6 N12 O21 -","- C352 H208 Cd48 N96 O168 -","8","0.5","","Chen, Yuan; Li, Ziyin; Liu, Qing; Shen, Yangcan; Wu, Xiuzhen; Xu, Dandan; Ma, Xiuling; Wang, Lihua; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang","Microporous Metal‒Organic Framework with Lantern-like Dodecanuclear Metal Coordination Cages as Nodes for Selective Adsorption of C2/C1Mixtures and Sensing of Nitrobenzene","Crystal Growth & Design","2015","15","8","3847","","10.1021/acs.cgd.5b00473","","","1.54184","CuKα","","0.0705","0.0599","","","0.1646","0.1725","","","","","","1.058","","","","has coordinates,has disorder","154556","2020-10-21","18:00:00",""
"4513435","17.317","0.005","25.397","0.005","21.54","0.005","90","","94.431","0.005","90","","9445","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H48 Co2 N12 Na2 O31 Zn2 -","- C78 H48 Co2 N12 Na2 O31 Zn2 -","- C312 H192 Co8 N48 Na8 O124 Zn8 -","4","0.5","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.089","0.0797","","","0.2294","0.2389","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513436","21.277","0.005","24.814","0.005","20.774","0.005","90","0.005","113.662","0.005","90","0.005","10046","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Cd Co N6 Na O26 -","- C39 H24 Cd Co N6 Na O26 -","- C312 H192 Cd8 Co8 N48 Na8 O208 -","8","1","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.0608","0.0515","","","0.1506","0.1576","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513437","13.562","0.005","17.989","0.005","19.981","0.005","90","0.005","93.91","0.005","90","0.005","4863","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H46 Cd3 Co2 N12 O52 -","- C84 H46 Cd3 Co2 N12 O52 -","- C168 H92 Cd6 Co4 N24 O104 -","2","0.5","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.069","0.0614","","","0.1627","0.1676","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513438","15.029","0.0004","19.2206","0.0006","21.3862","0.0011","90","","118.363","0.003","90","","5436.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 Co N6 O30 Zn3 -","- C45 H29 Co N6 O30 Zn3 -","- C180 H116 Co4 N24 O120 Zn12 -","4","1","","Srivastava, Sumit; Aggarwal, Himanshu; Gupta, Rajeev","Three-Dimensional Heterometallic Coordination Networks: Syntheses, Crystal Structures, Topologies, and Heterogeneous Catalysis","Crystal Growth & Design","2015","15","8","4110","","10.1021/acs.cgd.5b00697","","","0.71073","MoKα","","0.0462","0.0417","","","0.1117","0.1143","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513439","12.3766","0.0018","16.424","0.002","28.578","0.004","90","","90","","90","","5809.1","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H47 N4 O7 -","- C54 H47 N4 O7 -","- C216 H188 N16 O28 -","4","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.1916","0.082","","","0.1624","0.1748","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513440","10.202","0.004","7.487","0.003","11.933","0.005","90","","100.922","0.007","90","","895","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.0716","0.0363","","","0.0556","0.0618","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513441","40.887","0.002","9.2404","0.0005","27.6197","0.0013","90","","131.709","0.002","90","","7790.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C352 H256 F48 N16 O48 S16 -","16","2","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.0722","0.044","","","0.1153","0.1494","","","","","","1.091","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513442","6.1068","0.0003","15.2343","0.0008","18.4646","0.001","90","","90","","90","","1717.81","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 B F4 N -","- C21 H16 B F4 N -","- C84 H64 B4 F16 N4 -","4","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.043","0.0354","","","0.1028","0.1317","","","","","","1.136","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513443","13.0833","0.0012","9.1095","0.0008","33.015","0.003","90","","91.371","0.002","90","","3933.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F6 N Sb -","- C21 H16 F6 N Sb -","- C168 H128 F48 N8 Sb8 -","8","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.03","0.0257","","","0.0674","0.0788","","","","","","1.202","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513444","17.9388","0.0013","9.2136","0.0006","26.536","0.002","90","","108.127","0.004","90","","4168.2","0.5","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H48 Co2 N4 O10 -","- C68 H48 Co2 N4 O10 -","- C136 H96 Co4 N8 O20 -","2","0.5","","Park, In-Hyeok; Medishetty, Raghavender; Lee, Hyeong-Hwan; Herng, Tun Seng; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Influence of Angular Dicarboxylate Ligand on the Structures of Single and Double Pillared-Layer Coordination Polymers of Co(II)","Crystal Growth & Design","2015","15","8","4156","","10.1021/acs.cgd.5b00766","","","0.71073","MoKα","","0.0972","0.0785","","","0.2128","0.2251","","","","","","1.065","","","","has coordinates,has disorder","154572","2020-10-21","18:00:00",""
"4513445","13.7327","0.0004","24.6637","0.0008","16.181","0.0005","90","","113.193","0.001","90","","5037.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Co2 N4 O13 -","- C54 H48 Co2 N4 O13 -","- C216 H192 Co8 N16 O52 -","4","1","","Park, In-Hyeok; Medishetty, Raghavender; Lee, Hyeong-Hwan; Herng, Tun Seng; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Influence of Angular Dicarboxylate Ligand on the Structures of Single and Double Pillared-Layer Coordination Polymers of Co(II)","Crystal Growth & Design","2015","15","8","4156","","10.1021/acs.cgd.5b00766","","","0.71073","MoKα","","0.0878","0.0527","","","0.1131","0.1275","","","","","","1.007","","","","has coordinates,has disorder","154572","2020-10-21","18:00:00",""
"4513446","9.578","0.009","14.436","0.01","22.027","0.015","90","","102.557","0.014","90","","2973","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N3 O6 S -","- C31 H33 N3 O6 S -","- C124 H132 N12 O24 S4 -","4","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.0681","0.0558","","","0.1672","0.1744","","","","","","1.149","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513447","11.7003","0.0006","12.38","0.0006","12.851","0.0006","117.078","0.002","98.813","0.003","97.312","0.003","1596.27","0.14","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 N4 O6 S -","- C33 H36 N4 O6 S -","- C66 H72 N8 O12 S2 -","2","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.0673","0.0515","","","0.1375","0.1518","","","","","","1.026","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513448","10.333","0.004","36.097","0.013","9.961","0.003","90","","112.768","0.012","90","","3426","2","302","2","302","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H43 N3 O7 S -","- C35 H43 N3 O7 S -","- C140 H172 N12 O28 S4 -","4","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.1224","0.0428","","","0.0833","0.1043","","","","","","0.914","","","","has coordinates","154558","2020-10-21","18:00:00",""
"4513449","7.6482","0.0014","13.398","0.003","16.798","0.003","78.765","0.008","86.517","0.008","75.06","0.009","1631.1","0.6","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 N4 O6 S -","- C33 H38 N4 O6 S -","- C66 H76 N8 O12 S2 -","2","1","","Llinas, Antonio; Barbas, Rafael; Font-Bardia, Mercè; Quayle, Michael J.; Velaga, Sitaram; Prohens, Rafel","Two New Polymorphic Cocrystals of Zafirlukast: Preparation, Crystal Structure, and Stability Relations","Crystal Growth & Design","2015","15","8","4162","","10.1021/acs.cgd.5b00744","","","0.71073","MoKα","","0.1904","0.0809","","","0.1904","0.2423","","","","","","1.028","","","","has coordinates,has disorder","154558","2020-10-21","18:00:00",""
"4513450","11.285","0.002","32.787","0.007","10.517","0.002","90","","98.979","0.004","90","","3843.6","1.3","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N12 O2 -","- C46 H38 N12 O2 -","- C184 H152 N48 O8 -","4","1","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1276","0.0683","","","0.1565","0.1816","","","","","","1.014","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513451","34.345","0.003","9.2471","0.0014","10.6446","0.001","90","","104.008","0.01","90","","3280.1","0.7","90","2","90.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 N10 -","- C40 H20 N10 -","- C160 H80 N40 -","4","0.5","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1098","0.0561","","","0.1101","0.1379","","","","","","1.03","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513452","16.324","0.003","6.872","0.0013","21.928","0.004","90","","101.657","0.003","90","","2409.1","0.8","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 N12 O2 -","- C46 H28 N10 -","- C92 H56 N20 -","2","0.5","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1416","0.0874","","","0.2565","0.2921","","","","","","1.012","","","","has coordinates,has disorder","170054","2020-10-21","18:00:00",""
"4513453","7.6989","0.0006","27.8771","0.0014","34.694","0.003","90","","90","","90","","7446.1","0.9","295","2","295.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C49 H31 N11 O -","- C46 H24 N10 -","- C368 H192 N80 -","8","1","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1629","0.0757","","","0.1596","0.1928","","","","","","0.972","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513454","15.9607","0.0008","15.9607","0.0008","5.4313","0.0001","90","","90","","90","","1383.59","0.1","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","","Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping","Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines","ACS Catalysis","2015","5","9","5026","","10.1021/acscatal.5b01283","","","0.71073","MoKα","","0.0375","0.0355","","","0.0914","0.0937","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513455","13.103","0.004","30.424","0.006","23.434","0.005","90","","101.392","0.005","90","","9158","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 Gd2 N20 O47 -","- C66 H68 Gd2 N20 O47 -","- C264 H272 Gd8 N80 O188 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0659","0.0502","","","0.1256","0.1387","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513456","22.907","0.005","15.215","0.005","25.128","0.005","90","","102.677","0.005","90","","8544","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Gd N8 O26 -","- C33 H34 Gd N8 O26 -","- C264 H272 Gd8 N64 O208 -","8","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71069","MoKα","","0.0585","0.0405","","","0.0906","0.0982","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513457","12.177","0.005","13.175","0.005","15.814","0.005","66.028","0.005","87.249","0.005","89.986","0.005","2315","1.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","- C51 H29 Cd4 N13 O45 -","1","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0648","0.0551","","","0.1271","0.133","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513458","13.46","0.005","17.872","0.005","12.446","0.005","90","","97.112","0.005","90","","2970.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cd N6 O12 -","- C27 H18 Cd N6 O12 -","- C108 H72 Cd4 N24 O48 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0819","0.0494","","","0.1276","0.1436","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513459","27.72","0.005","11.138","0.005","25.075","0.005","90","","107.568","0.005","90","","7381","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H32 Cd3 N16 O36 -","- C66 H32 Cd3 N16 O36 -","- C264 H128 Cd12 N64 O144 -","4","0.5","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0824","0.0517","","","0.1105","0.1294","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513460","25.837","0.004","10.8944","0.0015","9.5596","0.0014","90","","90.903","0.007","90","","2690.5","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H14 Cd N6 O13 -","- C26 H14 Cd N6 O13 -","- C104 H56 Cd4 N24 O52 -","4","1","","Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies","Crystal Growth & Design","2015","15","9","4526","","10.1021/acs.cgd.5b00784","","","0.71073","MoKα","","0.0588","0.0398","","","0.0727","0.0781","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513461","9.5379","0.0012","5.7387","0.0007","12.5211","0.0018","90","","109.146","0.015","90","","647.44","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1264","0.053","","","0.0936","0.1258","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513462","7.3446","0.0004","16.3851","0.001","11.1975","0.0007","90","","105.157","0.006","90","","1300.65","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0643","0.0456","","","0.1086","0.1208","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513463","19.367","0.003","7.1978","0.0008","19.4919","0.0016","90","","104.881","0.011","90","","2626","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C112 H120 N24 O16 -","8","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1559","0.1061","","","0.2861","0.3275","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513464","5.5336","0.0005","8.9229","0.0009","10.9447","0.0011","87.095","0.008","89.016","0.008","75.137","0.008","521.65","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0843","0.0516","","","0.1159","0.1369","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513465","11.4553","0.0007","11.594","0.0008","14.6223","0.001","68.15","0.006","76.81","0.006","74.391","0.006","1718.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.5 H18 N3 O6 -","- C16.5 H18 N3 O6 -","- C66 H72 N12 O24 -","4","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1025","0.0502","","","0.0905","0.1165","","","","","","1.002","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513466","8.8197","0.0006","21.18","0.0012","12.3153","0.001","90","","93.492","0.007","90","","2296.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","2","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1172","0.0573","","","0.1067","0.1341","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513467","5.66","0.0004","18.8049","0.0016","19.465","0.0013","90","","90","","90","","2071.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O4 -","- C21 H28 N4 O4 -","- C84 H112 N16 O16 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0957","0.0428","","","0.0723","0.087","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513468","13.9493","0.0009","8.3273","0.0004","16.944","0.0009","90","","113.288","0.007","90","","1807.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O2 S2 -","- C16 H17 N5 O2 S2 -","- C64 H68 N20 O8 S8 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0666","0.0432","","","0.107","0.1221","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513469","14.037","0.0008","16.2988","0.0006","16.698","0.0007","90","","90","","90","","3820.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O2 S -","- C18 H20 N6 O2 S -","- C144 H160 N48 O16 S8 -","8","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1046","0.0578","","","0.1183","0.1384","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513470","10.9623","0.0008","5.8715","0.0003","12.0212","0.0009","90","","116.754","0.009","90","","690.91","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C28 H26 N6 O6 S2 -","2","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0282","0.0258","","","0.0658","0.0678","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513471","12.1599","0.0015","7.1495","0.0011","13.5183","0.0014","90","","90.035","0.01","90","","1175.2","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N5 O3.5 -","- C10 H11 N5 O3.5 -","- C40 H44 N20 O14 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0634","0.0449","","","0.1102","0.1222","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513472","8.3865","0.0005","10.2168","0.0006","15.8771","0.0011","89.949","0.004","74.926","0.004","78.451","0.004","1285.11","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Mn N6 O4 -","- C26 H19 Mn N6 O4 -","- C52 H38 Mn2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.086","0.0568","","","0.1551","0.1765","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513473","8.388","0.0002","10.1041","0.0002","15.7252","0.0004","90.586","0.001","104.374","0.001","101.294","0.001","1263.61","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe N6 O4 -","- C26 H19 Fe N6 O4 -","- C52 H38 Fe2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0598","0.0396","","","0.0841","0.0919","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513474","8.3602","0.0002","10.0943","0.0002","15.6447","0.0004","91.023","0.001","104.254","0.001","101.386","0.001","1251.36","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N6 O4 -","- C26 H19 Co N6 O4 -","- C52 H38 Co2 N12 O8 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0542","0.0384","","","0.0876","0.0948","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513475","7.6059","0.0002","13.7196","0.0003","19.6777","0.0004","90","","91.954","0.001","90","","2052.17","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Mn N4 O4 -","- C22 H18 Mn N4 O4 -","- C88 H72 Mn4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.044","0.0356","","","0.0884","0.0926","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513476","7.6123","0.0003","13.5665","0.0005","19.6056","0.0008","90","","91.749","0.002","90","","2023.77","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe N4 O4 -","- C22 H18 Fe N4 O4 -","- C88 H72 Fe4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0562","0.038","","","0.0923","0.1011","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513477","7.6154","0.0002","13.4625","0.0003","19.6118","0.0004","90","","91.013","0.001","90","","2010.33","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.0418","0.0328","","","0.0805","0.0845","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513478","7.6373","0.0002","13.7679","0.0004","19.9752","0.0006","90","","92.039","0.002","90","","2099.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Mondal, Rajarshi; Colacio, Enrique; Ghoshal, Debajyoti","Two Series of Isostructural Coordination Polymers with Isomeric Benzenedicarboxylates and Different Azine Based N,N′-Donor Ligands: Syntheses, Characterization and Magnetic Properties","Crystal Growth & Design","2015","15","9","4427","","10.1021/acs.cgd.5b00741","","","0.71073","MoKα","","0.032","0.0255","","","0.0583","0.0612","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513479","11.585","0.003","13.311","0.003","14.923","0.004","106.874","0.003","107.017","0.003","99.008","0.003","2031.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Bi2 Cl12 N6 O6 -","- C78 H66 Bi2 Cl12 N6 O6 -","- C78 H66 Bi2 Cl12 N6 O6 -","1","0.5","","Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong","High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.","ACS applied materials & interfaces","2015","7","26","14493","14500","10.1021/acsami.5b03932","","","0.71073","MoKα","","0.0485","0.036","","","0.0844","0.0899","","","","","","0.85","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513480","11.582","0.01","13.318","0.012","14.951","0.013","106.738","0.01","106.793","0.01","99.103","0.01","2040","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Bi Cl6 N3 O3 -","- C39 H33 Bi Cl6 N3 O3 -","- C78 H66 Bi2 Cl12 N6 O6 -","2","1","","Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong","High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.","ACS applied materials & interfaces","2015","7","26","14493","14500","10.1021/acsami.5b03932","","","0.71073","MoKα","","0.0317","0.0256","","","0.0579","0.0594","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513481","7.3279","0.0003","7.3279","0.0003","12.4075","0.0005","90","","90","","120","","577","0.04","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 O12 Te W3 -","- Cs2 O12 Te W3 -","- Cs4 O24 Te2 W6 -","2","0.333333","","Zhao, Peng; Cong, Hengjiang; Tian, Xiangxin; Sun, Youxuan; Zhang, Chengqian; Xia, Shengqing; Gao, Zeliang; Tao, Xutang","Top-Seeded Solution Growth, Structure, Morphology, and Functional Properties of a New Polar Crystal — Cs2TeW3O12","Crystal Growth & Design","2015","15","9","4484","","10.1021/acs.cgd.5b00753","","","0.71073","MoKα","","0.0129","0.0124","","","0.0247","0.0248","","","","","","1.178","","","","has coordinates","154592","2020-10-21","18:00:00",""
"4513482","10.1382","0.0008","12.666","0.001","14.0264","0.0012","90","","90","","90","","1801.1","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C8.5 H11.5 Cl0.5 Li0.5 N1.5 O1.5 -","- C68 H92 Cl4 Li4 N12 O12 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0382","0.0295","","","0.082","0.0844","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513483","8.9345","0.0005","11.4411","0.0006","8.9682","0.0005","90","","102.958","0.0012","90","","893.39","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N2 Na O3 -","- C17 H20 Br N2 Na O3 -","- C34 H40 Br2 N4 Na2 O6 -","2","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0157","0.0151","","","0.0348","0.035","","","","","","1.101","","","","has coordinates","154585","2020-10-21","18:00:00",""
"4513484","13.2887","0.0004","12.705","0.0004","21.5048","0.0005","90","","90","","90","","3630.72","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H23 Cl Li N3 O3 -","- C17 H23 Cl Li N3 O3 -","- C136 H184 Cl8 Li8 N24 O24 -","8","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0445","0.0279","","","0.0686","0.0711","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513485","8.7475","0.0004","11.5399","0.0004","19.9285","0.0006","90","","93.602","0.003","90","","2007.71","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21.5 N3.5 Na O3 S -","- C19 H21.5 N3.5 Na O3 S -","- C76 H86 N14 Na4 O12 S4 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0394","0.0293","","","0.0825","0.0849","","","","","","1.11","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513486","7.7957","0.0002","11.9367","0.0003","18.6042","0.0005","90","","90","","90","","1731.21","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br Li N2 O3 -","- C17 H20 Br Li N2 O3 -","- C68 H80 Br4 Li4 N8 O12 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0138","0.0131","","","0.0336","0.0337","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513487","9.1636","0.0004","36.3601","0.0014","21.4472","0.001","90","","97.684","0.003","90","","7081.8","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Au N3 O2 -","- C38 H46 Au N3 O2 -","- C304 H368 Au8 N24 O16 -","8","2","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","Mechanistic Aspects of the Carboxylative Cyclization of Propargylamines and Carbon Dioxide Catalyzed by Gold(I) Complexes Bearing anN-Heterocyclic Carbene Ligand","ACS Catalysis","2015","5","9","5135","","10.1021/acscatal.5b01335","","","0.71075","MoKα","","","0.067","","","","0.14","","","","","","1","","","","has coordinates","160478","2020-10-21","18:00:00",""
"4513488","6.4078","0.0003","10.1634","0.0005","10.1735","0.0005","90","","106.246","0.002","90","","636.09","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O7 Zn -","- C10 H11 N O7 Zn -","- C20 H22 N2 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0285","0.0271","","","0.0689","0.0697","","","","","","1.132","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513489","9.8361","0.0008","7.3181","0.0007","10.8209","0.0008","90","","107.138","0.003","90","","744.32","0.11","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H14 N2 O8 Zn -","- C11 H14 N2 O8 Zn -","- C22 H28 N4 O16 Zn2 -","2","0.5","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0467","0.0411","","","0.1076","0.1108","","","","","","1.15","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513490","8.464","0.0004","10.1065","0.0005","11.0093","0.0005","89.985","0.002","67.875","0.003","70.639","0.002","814.66","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O8 Zn -","- C12 H16 N2 O8 Zn -","- C24 H32 N4 O16 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0429","0.0381","","","0.1008","0.105","","","","","","1.094","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513491","8.8542","0.0008","8.8835","0.0007","9.6729","0.0008","68.344","0.003","82.253","0.004","70.261","0.003","665.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O7 Zn -","- C11 H12 N2 O7 Zn -","- C22 H24 N4 O14 Zn2 -","2","1","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0706","0.0381","","","0.0761","0.0862","","","","","","0.99","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513492","22.7005","0.0011","11.3935","0.0005","24.8275","0.0016","90","","113.631","0.002","90","","5882.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 N10 O18 Zn3 -","- C58 H58 N10 O18 Zn3 -","- C232 H232 N40 O72 Zn12 -","4","0.5","","Karmakar, Anirban; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Solvent-Dependent Structural Variation of Zinc(II) Coordination Polymers and Their Catalytic Activity in the Knoevenagel Condensation Reaction","Crystal Growth & Design","2015","15","9","4185","","10.1021/acs.cgd.5b00948","","","0.71073","MoKα","","0.0574","0.0406","","","0.1017","0.1138","","","","","","1.039","","","","has coordinates","154577","2020-10-21","18:00:00",""
"4513493","6.5576","0.0004","9.715","0.0006","8.6358","0.0006","90","","90.579","0.004","90","","550.13","0.06","150","2","150","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","- C6 H8 F5 N21 Zn4 -","1","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0673","0.0557","","","0.1358","0.1467","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513494","29.371","0.01","6.645","0.002","17.375","0.006","90","","105.644","0.011","90","","3265.5","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H30 F10 Fe2 N26 Zn2 -","- C9 H30 F10 Fe2 N26 Zn2 -","- C36 H120 F40 Fe8 N104 Zn8 -","4","0.5","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.1978","0.1369","","","0.3516","0.3881","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513495","10.3201","0.0002","7.4194","0.0001","15.0123","0.0003","90","","90","","90","","1149.48","0.04","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C2 H16 F6 Fe N O4 Zn -","- C2 H16 F6 Fe N O4 Zn -","- C8 H64 F24 Fe4 N4 O16 Zn4 -","4","0.25","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0219","0.0185","","","0.054","0.0557","","","","","","1.275","","","","has coordinates","154578","2020-10-21","18:00:00",""
"4513496","13.2928","0.0006","6.57","0.0003","13.6461","0.0009","90","","119.069","0.003","90","","1041.64","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","- C14 H44 F12 Fe2.8 N34 Zn3.2 -","1","0.5","","Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent","Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem","Crystal Growth & Design","2015","15","9","4248","","10.1021/acs.cgd.5b00530","","","0.71073","MoKα","","0.0468","0.0399","","","0.0905","0.1006","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513497","10.2256","0.0008","13.2327","0.0009","15.2136","0.001","75.791","0.002","82.911","0.002","77.348","0.002","1941.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H14 Cl6 Cu F10 N5 O2 -","- C39 H14 Cl6 Cu F10 N5 O2 -","- C78 H28 Cl12 Cu2 F20 N10 O4 -","2","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0861","0.076","","","0.2091","0.2189","","","","","","1.073","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513498","13.6323","0.0004","13.187","0.0004","21.0645","0.0006","90","","105.96","0.001","90","","3640.78","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui","Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles","ACS Catalysis","2015","5","9","5145","","10.1021/acscatal.5b00666","","","0.71073","MoKα","","0.0816","0.0683","","","0.2017","0.2133","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513499","8.0795","0.001","12.189","0.0015","27.647","0.005","94.311","0.019","94.775","0.018","90.653","0.014","2705.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 Br N4 O -","- C26 H35 Br N4 O -","- C104 H140 Br4 N16 O4 -","4","2","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.16","0.0631","","","0.1253","0.1542","","","","","","0.744","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513500","14.98","0.002","8.487","0.0011","13.59","0.002","90","","107.124","0.002","90","","1651.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Br2 N6 -","- C32 H44 Br2 N6 -","- C64 H88 Br4 N12 -","2","0.5","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.0674","0.0431","","","0.0951","0.1255","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513501","6.854","0.005","8.234","0.006","27.248","0.018","90.876","0.009","90.872","0.009","109.433","0.007","1449.7","1.8","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 Br N4 O -","- C30 H43 Br N4 O -","- C60 H86 Br2 N8 O2 -","2","1","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.0632","0.0468","","","0.1163","0.1291","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513502","10.3616","0.0011","7.751","0.0009","35.652","0.004","90","","98.168","0.014","90","","2834.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Br N4 O -","- C28 H39 Br N4 O -","- C112 H156 Br4 N16 O4 -","4","1","","Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena","Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline Properties","Crystal Growth & Design","2015","15","9","4701","","10.1021/acs.cgd.5b01024","","","0.71073","MoKα","","0.1277","0.0633","","","0.1345","0.1693","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513503","18.1409","0.0006","16.0861","0.0006","12.4109","0.0004","90","","124.807","0.002","90","","2973.71","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Mn N6 O6 -","- C33 H28 Mn N6 O6 -","- C132 H112 Mn4 N24 O24 -","4","0.5","","Ho, Tzu-Yan; Huang, Sheng-Ming; Wu, Jing-Yun; Hsu, Kung-Chung; Lu, Kuang-Lieh","Direct Guest Exchange Induced Single-Crystal to Single-Crystal Transformation Accompanying Irreversible Crystal Expansion in Soft Porous Coordination Polymers","Crystal Growth & Design","2015","15","9","4266","","10.1021/acs.cgd.5b00565","","","0.71073","MoKα","","0.0408","0.0337","","","0.0782","0.0823","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513504","18.882","0.005","14.835","0.005","12.602","0.005","90","0.005","124.801","0.005","90","0.005","2898.6","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Mn N6 O7 -","- C30 H28 Mn N6 O7 -","- C120 H112 Mn4 N24 O28 -","4","0.5","","Ho, Tzu-Yan; Huang, Sheng-Ming; Wu, Jing-Yun; Hsu, Kung-Chung; Lu, Kuang-Lieh","Direct Guest Exchange Induced Single-Crystal to Single-Crystal Transformation Accompanying Irreversible Crystal Expansion in Soft Porous Coordination Polymers","Crystal Growth & Design","2015","15","9","4266","","10.1021/acs.cgd.5b00565","","","0.71073","MoKα","","0.1558","0.0668","","","0.1289","0.1564","","","","","","0.731","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513505","12.1651","0.0005","9.798","0.0004","20.6387","0.0007","90","","113.01","0.002","90","","2264.28","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Ag2 Cl2 N3 O5 S -","- C20 H17 Ag2 Cl2 N3 O5 S -","- C80 H68 Ag8 Cl8 N12 O20 S4 -","4","1","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.0319","0.0274","","","0.0709","0.0733","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513506","17.6418","0.0018","10.636","0.0011","22.861","0.002","90","","93.865","0.002","90","","4279.8","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cd Cl2 N3 O5 S -","- C20 H19 Cd Cl2 N3 O5 S -","- C160 H152 Cd8 Cl16 N24 O40 S8 -","8","1","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.0345","0.0268","","","0.0572","0.0594","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513507","15.2758","0.001","38.796","0.003","9.4218","0.0006","90","","90","","90","","5583.7","0.7","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C53 H50 Cl4 N8 O8 Pb S2 -","- C53 H50 Cl4 N8 O8 Pb S2 -","- C212 H200 Cl16 N32 O32 Pb4 S8 -","4","0.5","","Liu, Beibei; Lin, Xiaoling; Li, Hao; Li, Kaixuan; Huang, Hui; Bai, Liang; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Luminescent Coordination Polymers for Highly Sensitive Detection of Nitrobenzene","Crystal Growth & Design","2015","15","9","4355","","10.1021/acs.cgd.5b00648","","","0.71073","MoKα","","0.053","0.0321","","","0.0608","0.065","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513508","8.5907","0.0014","9.1624","0.0015","11.1998","0.0019","90","","96.915","0.005","90","","875.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C44 H32 N8 O4 -","2","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0627","0.0376","","","0.0916","0.1009","","","","","","1.038","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513509","12.595","0.004","11.22","0.004","19.45","0.007","90","","102.049","0.013","90","","2688","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag B F4 N6 O2 -","- C26 H22 Ag B F4 N6 O2 -","- C104 H88 Ag4 B4 F16 N24 O8 -","4","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0566","0.0532","","","0.1547","0.1572","","","","","","1.104","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513510","10.0345","0.0011","15.2852","0.0017","18.421","0.002","67.732","0.002","87.024","0.002","77.361","0.002","2549.8","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H104 Co3 N18 O32 -","- C102 H104 Co3 N18 O32 -","- C102 H104 Co3 N18 O32 -","1","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.08","0.0571","","","0.1659","0.1841","","","","","","1.103","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513511","10.2476","0.0008","11.7864","0.0007","14.2092","0.0008","74.78","0.002","76.188","0.002","69.718","0.002","1532.51","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd N4 O11 -","- C32 H26 Cd N4 O11 -","- C64 H52 Cd2 N8 O22 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0278","0.0235","","","0.0705","0.0893","","","","","","1.202","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513512","9.1475","0.0016","10.0916","0.0017","17.097","0.003","93.392","0.005","91.558","0.005","99.946","0.005","1550.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Co N5 O9 -","- C33 H27 Co N5 O9 -","- C66 H54 Co2 N10 O18 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0908","0.0789","","","0.2105","0.224","","","","","","1.042","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513513","16.117","0.005","8.978","0.002","22.39","0.006","90","","110.865","0.01","90","","3027.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 Co N5 O7 -","- C35 H31 Co N5 O7 -","- C140 H124 Co4 N20 O28 -","4","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.1523","0.083","","","0.1837","0.2213","","","","","","0.954","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513514","14.0183","0.0007","7.0259","0.0004","19.4666","0.001","90","","104.872","0.001","90","","1853.06","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd N2 O5 -","- C21 H16 Cd N2 O5 -","- C84 H64 Cd4 N8 O20 -","4","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0198","0.018","","","0.0481","0.0489","","","","","","1.054","","","","has coordinates","154590","2020-10-21","18:00:00",""
"4513515","6.7968","0.0017","9.143","0.002","11.838","0.003","100.727","0.005","96.444","0.004","96.517","0.004","711.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Co N4 O8 -","- C32 H28 Co N4 O8 -","- C32 H28 Co N4 O8 -","1","0.5","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.0354","0.033","","","0.0981","0.1081","","","","","","1.165","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513516","11.394","0.006","14.357","0.009","14.395","0.008","101.559","0.019","112.43","0.018","101.04","0.018","2037","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 N5 O10 Zn -","- C39 H31 N5 O10 Zn -","- C78 H62 N10 O20 Zn2 -","2","1","","Nath, Karabi; Husain, Ahmad; Dastidar, Parthasarathi","Metallogels and Silver Nanoparticles Generated from a Series of Transition Metal-Based Coordination Polymers Derived from a New Bis-pyridyl-bis-amide Ligand and Various Carboxylates","Crystal Growth & Design","2015","15","9","4635","","10.1021/acs.cgd.5b00911","","","0.71073","MoKα","","0.1582","0.0979","","","0.2748","0.3098","","","","","","1.076","","","","has coordinates,has disorder","154590","2020-10-21","18:00:00",""
"4513517","14.45","0.002","9.2033","0.0012","6.7339","0.0005","90","","92.836","0.008","90","","894.43","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl2 Fe N4 -","- C7 H5 Cl2 Fe N4 -","- C28 H20 Cl8 Fe4 N16 -","4","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0644","0.0535","","","0.1177","0.1221","","","","","","1.151","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513518","6.8424","0.0004","9.1998","0.0004","14.5135","0.001","79.457","0.005","89.008","0.006","88.406","0.004","897.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cl4 Fe2 N8 -","- C14 H10 Cl4 Fe2 N8 -","- C28 H20 Cl8 Fe4 N16 -","2","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0503","0.0346","","","0.0689","0.0784","","","","","","1.03","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513519","7.2793","0.0004","9.7479","0.0007","15.1562","0.0009","100.504","0.006","94.495","0.005","105.762","0.005","1008.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl3 Fe2 N8 O3 -","- C14 H15 Cl3 Fe2 N8 O3 -","- C28 H30 Cl6 Fe4 N16 O6 -","2","1","","Yao, Peng-Fei; Tao, Ye; Li, Hai-Ye; Qin, Xiao-Huan; Shi, Dong-Wei; Huang, Fu-Ping; Yu, Qing; Qin, Xing-Xing; Bian, He-Dong","A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","Crystal Growth & Design","2015","15","9","4394","","10.1021/acs.cgd.5b00724","","","0.7107","MoKα","","0.0402","0.031","","","0.0682","0.073","","","","","","1.049","","","","has coordinates","154575","2020-10-21","18:00:00",""
"4513520","11.553","0.006","19.825","0.003","25.184","0.004","90","","90","","90","","5768","3","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 I9 N6 O6 Pb3 -","- C30 I9 N6 O6 Pb3 -","- C120 I36 N24 O24 Pb12 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0826","0.0759","","","0.1901","0.1954","","","","","","1.0513","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513521","22.299","0.005","7.964","0.005","8.85","0.0017","90","","113.377","0.01","90","","1442.7","1","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Giti29","","","- C6 I3 N O2 Pb -","- C6 I3 N O2 Pb -","- C24 I12 N4 O8 Pb4 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0205","0.0203","","","0.0475","0.0476","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513522","4.637","0.0002","11.112","0.0009","13.46","0.001","71.462","0.003","80.868","0.005","84.288","0.005","648.33","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Giti22","","","- C2 I3 N4 O2 Pb -","- C2 I3 N4 O2 Pb -","- C4 I6 N8 O4 Pb2 -","2","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0608","0.0593","","","0.1543","0.1564","","","","","","1.093","","","","has coordinates","154583","2020-10-21","18:00:00",""
"4513523","21.194","0.0002","40.161","0.0006","8.023","0.0016","90","","90","","90","","6829","1.4","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","gitti12","","- C3.097 I1.548 N0.516 O0.774 Pb0.516 -","- C3.09677 I1.54839 N0.516129 O0.774194 Pb0.516129 -","- C96 I48 N16 O24 Pb16 -","31","1.9375","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0401","0.0374","","","0.1017","0.1034","","","","","","1.0303","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513524","7.5555","0.0002","18.9892","0.0004","11.4893","0.0003","90","","99.658","0.003","90","","1625.04","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0377","0.0354","","","0.1142","0.1165","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513525","7.5428","0.0002","18.9688","0.0005","11.5038","0.0004","90","","99.632","0.003","90","","1622.74","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 O23.5 Zn4 -","- C22 H14 O23.5 Zn4 -","- C44 H28 O47 Zn8 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0416","0.0381","","","0.1195","0.1234","","","","","","0.989","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513526","9.4464","0.0003","26.2464","0.0008","9.7686","0.0003","90","","117.108","0.004","90","","2155.91","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0365","0.0324","","","0.0857","0.0875","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513527","9.4565","0.001","26.2364","0.0018","9.7671","0.001","90","","117.169","0.014","90","","2155.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H35 Cd3 N4 O14.5 -","- C46 H34 Cd3 N4 O14.5 -","- C92 H68 Cd6 N8 O29 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0439","0.0411","","","0.1061","0.1084","","","","","","1.003","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513528","9.9455","0.0003","9.9455","0.0003","42.2668","0.0018","90","","90","","120","","3620.6","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0667","0.0604","","","0.1605","0.1658","","","","","","1.099","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513529","9.9361","0.0002","9.9361","0.0002","42.3479","0.0018","90","","90","","120","","3620.72","0.19","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H22 Cd1.5 N2 O7.5 -","- C24 H21 Cd1.5 N2 O7.5 -","- C144 H126 Cd9 N12 O45 -","6","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.0628","0.0593","","","0.1811","0.1867","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513530","11.3022","0.0005","20.8207","0.0005","12.242","0.0006","90","","116.513","0.005","90","","2577.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","0.71073","MoKα","","0.036","0.0309","","","0.0728","0.0757","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513531","11.3063","0.0007","20.8442","0.0009","12.2438","0.0009","90","","116.542","0.009","90","","2581.4","0.3","295.93","0.1","295.93","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H45 Cd4 N8 O20.5 -","- C46 H34 Cd4 N8 O20.5 -","- C92 H68 Cd8 N16 O41 -","2","1","","Xu, Zhong-Xuan; Xiao, Yu; Kang, Yao; Zhang, Lei; Zhang, Jian","Homochiral Cluster-Organic Frameworks Constructed from Enantiopure Lactate Derivatives","Crystal Growth & Design","2015","15","9","4676","","10.1021/acs.cgd.5b00958","","","1.54178","CuKα","","0.0495","0.0459","","","0.1231","0.1266","","","","","","0.991","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513532","16.0822","0.0019","5.7965","0.0011","32.892","0.004","90","","99.314","0.009","90","","3025.8","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O7 -","- C34 H34 N2 O7 -","- C136 H136 N8 O28 -","4","1","","Neurohr, Clémence; Marchivie, Mathieu; Lecomte, Sophie; Cartigny, Yohann; Couvrat, Nicolas; Sanselme, Morgane; Subra-Paternault, Pascale","Naproxen‒Nicotinamide Cocrystals: Racemic and Conglomerate Structures Generated by CO2Antisolvent Crystallization","Crystal Growth & Design","2015","15","9","4616","","10.1021/acs.cgd.5b00876","","","0.71073","MoKα","","0.1772","0.0802","","","0.1501","0.1848","","","","","","1.033","","","","has coordinates","154591","2020-10-21","18:00:00",""
"4513533","12.1783","0.0004","12.6524","0.0006","16.6968","0.0006","95.897","0.003","99.86","0.003","104.902","0.004","2420.19","0.18","267.48","0.1","267.48","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl12 N4 Ni O10 -","- C42 H26 Cl12 N4 Ni O10 -","- C84 H52 Cl24 N8 Ni2 O20 -","2","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","x-ray","0.71","MoKα","","0.0874","0.0584","","","0.1498","0.1713","","","","","","1.028","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513534","8.492","0.008","12.824","0.012","13.253","0.013","64.289","0.014","72.003","0.016","89.561","0.016","1223","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 Cl6 Cu N2 O5 -","- C21 H12 Cl6 Cu N2 O5 -","- C42 H24 Cl12 Cu2 N4 O10 -","2","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71","MoKα","","0.0789","0.0486","","","0.1136","0.1261","","","","","","1","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513535","12.316","0.003","13.288","0.003","29.13","0.006","90","","110.765","0.008","90","","4457.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 Cl12 Cu2 N3 O9 -","- C33 H18 Cl12 Cu2 N3 O9 -","- C132 H72 Cl48 Cu8 N12 O36 -","4","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71073","MoKα","","0.0992","0.0588","","","0.145","0.1621","","","","","","1.009","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513536","13.7798","0.0012","12.6363","0.0011","25.0522","0.0018","90","","114.451","0.004","90","","3971","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 Cl12 N2 O11 -","- C30 H20 Cd2 Cl12 N2 O11 -","- C120 H80 Cd8 Cl48 N8 O44 -","4","1","","Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Four Metal‒Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid","Crystal Growth & Design","2015","15","9","4198","","10.1021/acs.cgd.5b00164","","","0.71073","MoKα","","0.0347","0.0286","","","0.0725","0.0761","","","","","","1.035","","","","has coordinates","154582","2020-10-21","18:00:00",""
"4513537","14.431","0.005","15.645","0.005","18.541","0.005","87.253","0.005","72.501","0.005","63.291","0.005","3547.6","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H142 Cd4 Cl8 N56 O39 -","- C120 H124 Cd4 Cl8 N56 O39 -","- C120 H124 Cd4 Cl8 N56 O39 -","1","0.5","","Wu, Xue-Song; Liang, Jun; Hu, Xiao-Li; Wang, Xin-Long; Song, Bai-Qiao; Jiao, Yan-Qing; Su, Zhong-Min","Metal‒Organic Rotaxane Frameworks Assembly by Cucurbit[6]uril-Based Pseudorotaxanes and Mixed Ligands","Crystal Growth & Design","2015","15","9","4311","","10.1021/acs.cgd.5b00612","","","0.71069","MoKα","","0.0835","0.0564","","","0.1517","0.1708","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513538","6.2421","0.0002","10.1937","0.0003","12.9498","0.0003","108.616","0.002","91.868","0.002","95.517","0.002","775.52","0.04","120","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H21 Cl4 N5 O Pt2 -","- C4 H21 Cl4 N5 O Pt2 -","- C8 H42 Cl8 N10 O2 Pt4 -","2","1","","Dawn, Arnab; Andrew, Katherine S.; Yufit, Dmitry S.; Hong, Yuexian; Reddy, J. Prakasha; Jones, Christopher D.; Aguilar, Juan A.; Steed, Jonathan W.","Supramolecular Gel Control of Cisplatin Crystallization: Identification of a New Solvate Form Using a Cisplatin-Mimetic Gelator","Crystal Growth & Design","2015","15","9","4591","","10.1021/acs.cgd.5b00840","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","154588","2020-10-21","18:00:00",""
"4513539","11.5741","0.001","14.1549","0.0012","10.9185","0.0009","90","","102.234","0.001","90","","1748.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F6 N2 S Sb -","- C13 H10 Ag F6 N2 S Sb -","- C52 H40 Ag4 F24 N8 S4 Sb4 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.068","0.047","","","0.0847","0.095","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513540","10.282","0.003","16.864","0.005","13.621","0.004","90","","107.265","0.004","90","","2255.4","1.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Ag B F4 N3 O2 S3 -","- C20 H11 Ag B F4 N3 O2 S3 -","- C80 H44 Ag4 B4 F16 N12 O8 S12 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0505","0.0377","","","0.0709","0.0776","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513541","11.685","0.003","12.44","0.004","13.933","0.004","80.464","0.004","77.996","0.004","64.417","0.004","1780.2","0.9","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C21 H12 Ag F3 N2 O3 S4 -","- C21 H12 Ag F3 N2 O3 S4 -","- C63 H36 Ag3 F9 N6 O9 S12 -","3","3","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0433","0.039","","","0.1028","0.1083","","","","","","1.02","","","","has coordinates","154589","2020-10-21","18:00:00",""
"4513542","8.202","0.002","23.559","0.007","19.614","0.006","90","","92.1","0.004","90","","3787.5","1.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Ag B F4 P2 S2 -","- C41.31 H30 Ag B F4 P2 S2 -","- C165.24 H120 Ag4 B4 F16 P8 S8 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0925","0.0591","","","0.1131","0.1275","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513543","12.7731","0.0013","29.872","0.003","33.792","0.004","90","","90","","90","","12894","2","200","2","200","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C29 H12 Ag F3 N4 O3.45 S7 -","- C29 H12 Ag F3 N4 O3.47 S7 -","- C464 H192 Ag16 F48 N64 O55.52 S112 -","16","0.5","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0816","0.0674","","","0.1452","0.1489","","","","","","1.475","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513544","10.7643","0.0019","17.055","0.003","12.542","0.002","90","","103.638","0.003","90","","2237.6","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Ag B F4 N2 S3 -","- C21 H14 Ag B F4 N2 S3 -","- C84 H56 Ag4 B4 F16 N8 S12 -","4","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0638","0.0571","","","0.1159","0.1185","","","","","","1.192","","","","has coordinates,has disorder","154589","2020-10-21","18:00:00",""
"4513545","22.8411","0.0009","12.5825","0.0005","22.9745","0.001","90","","90","","90","","6602.8","0.5","250","2","250","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H12 Ag F6 N4 S6 Sb -","- C28 H12 Ag F6 N4 S6 Sb -","- C224 H96 Ag8 F48 N32 S48 Sb8 -","8","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0855","0.0477","","","0.0929","0.0968","","","","","","1.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513546","9.0317","0.0006","11.6572","0.0009","13.7558","0.0012","99.386","0.003","101.188","0.003","102.814","0.003","1352.82","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H33 B F2 I2 N2 O -","- C27 H33 B F2 I2 N2 O -","- C54 H66 B2 F4 I4 N4 O2 -","2","1","","Bell, Nia C.; Doyle, Samantha J.; Battistelli, Giulia; LeGuyader, Clare L. M.; Thompson, Matthew P.; Poe, Ambata M.; Rheingold, Arnold; Moore, Curtis; Montalti, Marco; Thayumanavan, S.; Tauber, Michael J.; Gianneschi, Nathan C.","Dye Encapsulation in Polynorbornene Micelles.","Langmuir : the ACS journal of surfaces and colloids","2015","31","35","9707","9717","10.1021/acs.langmuir.5b01822","","x-ray","0.71073","MoKα","","0.0346","0.0278","","","0.0676","0.0742","","","","","","1.053","","","","has coordinates,has disorder","160556","2020-10-21","18:00:00",""
"4513547","25.5951","0.0007","29.3619","0.0009","36.2011","0.0015","90","","109.597","0.002","90","","25630","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H336 N46 O59 P4 -","- C204 H336 N46 O59 P4 -","- C816 H1344 N184 O236 P16 -","4","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.391","0.135","","","0.293","0.3814","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513548","12.9811","0.0014","22.848","0.003","14.6435","0.0015","90","","103.82","0.006","90","","4217.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N10 O19 P2 S -","- C29 H44 N10 O19 P2 S -","- C116 H176 N40 O76 P8 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.1148","0.0678","","","0.1766","0.2006","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513549","11.606","0.009","26.1","0.02","13.323","0.01","90","","95.56","0.02","90","","4017","5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 F N11 O9 -","- C35 H50 F N11 O9 -","- C140 H200 F4 N44 O36 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Self-Assembly of a Tris(Urea) Receptor as Tetrahedral Cage for the Encapsulation of a Discrete Tetrameric Mixed Phosphate Cluster (H2PO4‒•HPO42‒)2","Crystal Growth & Design","2015","15","10","4993","","10.1021/acs.cgd.5b00926","","","0.71073","MoKα","","0.2002","0.0598","","","0.1163","0.1455","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513550","9.4803","0.0006","9.7605","0.0006","10.9327","0.0008","110.84","0.006","90.352","0.005","99.701","0.005","929.53","0.11","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Cl O4 -","- C20 H21 Cl O4 -","- C40 H42 Cl2 O8 -","2","1","","Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng","A New Low Melting-Point Polymorph of Fenofibrate Prepared via Talc Induced Heterogeneous Nucleation","Crystal Growth & Design","2015","15","10","5011","","10.1021/acs.cgd.5b00956","","","0.71073","MoKα","","0.1217","0.0653","","","0.149","0.1834","","","","","","1.016","","","","has coordinates","170044","2020-10-21","18:00:00",""
"4513551","13.197","0.003","13.197","0.003","7.5613","0.0019","90","","90","","90","","1316.9","0.5","173","2","173","2","","","","","","","","4","I -4","I -4","82","TPPA","","","- C105 H24 O32 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0504","0.0456","","","0.1017","0.1044","","","","","","1.061","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513552","17.265","0.002","17.265","0.002","7.181","0.002","90","","90","","90","","2140.5","0.7","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H48 O16 P4 Si -","- C32 H48 O16 P4 Si -","- C64 H96 O32 P8 Si2 -","2","0.25","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.0683","0.0502","","","0.1032","0.1106","","","","","","1.073","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513553","17.481","0.003","17.584","0.007","19.029","0.003","90","","113.18","0.01","90","","5377","3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O12 P4 Si -","- C48 H72 O12 P4 Si -","- C192 H288 O48 P16 Si4 -","4","1","","Schütrumpf, Alexandra; Kirpi, Erdoğan; Bulut, Aysun; Morel, Flavien L.; Ranocchiari, Marco; Lork, Enno; Zorlu, Yunus; Grabowsky, Simon; Yücesan, Gündoğ; Beckmann, Jens","Tetrahedral Tetraphosphonic Acids. New Building Blocks in Supramolecular Chemistry","Crystal Growth & Design","2015","15","10","4925","","10.1021/acs.cgd.5b00811","","","0.71073","MoKα","","0.1336","0.0814","","","0.2049","0.2443","","","","","","1.021","","","","has coordinates","170043","2020-10-21","18:00:00",""
"4513554","13.562","0.002","3.8415","0.0007","22.846","0.004","90","","93.241","0.007","90","","1188.3","0.3","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","4","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","2","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1729","0.0821","","","0.0884","0.1045","","","","","","1.123","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513555","3.7722","0.0018","19.907","0.009","16.748","0.009","90","","95.43","0.04","90","","1252","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4","","","- C15 H12 O6 -","- C15 H12 O6 -","- C60 H48 O24 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1117","0.0709","","","0.2029","0.2551","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513556","3.8097","0.0002","19.903","0.0011","16.2375","0.0008","90","","97.83","0.004","90","","1219.72","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4","","","- C15 H10 O5.5 -","- C15 H10 O5.572 -","- C60 H40 O22.288 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.1593","0.0602","","","0.1006","0.1334","","","","","","0.976","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513557","10.515","0.003","13.418","0.004","22.349","0.006","90","","94.899","0.004","90","","3141.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","1","","Mondal, Animesh; Mukhopadhyay, Chhanda","FeCl3-Catalyzed Combinatorial Synthesis of Functionalized Spiro[Indolo-3,10'-indeno [1,2-b]quinolin]-trione Derivatives.","ACS combinatorial science","2015","17","7","404","408","10.1021/acscombsci.5b00038","","","0.71073","MoKα","","0.1093","0.0608","","","0.151","0.1819","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513558","35.945","0.005","7.1685","0.001","24.167","0.003","90","","130.561","0.002","90","","4730.9","1.1","571","2","571","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1S,2R,3aS,4R,9aR)-ethyl 4-(tert-butyldimethylsilyloxy)-2-hydroxy-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylate","","- C23 H36 O5 Si -","- C23 H36 O5 Si -","- C184 H288 O40 Si8 -","8","1","","Chamakuri, Srinivas; Jogula, Srinvas; Arya, Prabhat","Regio- and Stereocontrolled Dieckmann Approach to Treprostinil-Inspired, Polycyclic Scaffold For Building Macrocyclic Diversity.","ACS combinatorial science","2015","17","8","437","441","10.1021/acscombsci.5b00076","","","0.71073","MoKα","","0.0943","0.062","","","0.157","0.1771","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513559","4.1385","0.0004","17.8868","0.0019","20.726","0.003","90","","90","","90","","1534.2","0.3","171","","171","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)indolizino[3,2-c]quinoline","","- C21 H13 Br N2 -","- C21 H13 Br N2 -","- C84 H52 Br4 N8 -","4","1","","Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon","When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.","ACS combinatorial science","2015","17","8","459","469","10.1021/acscombsci.5b00031","","","1.54178","CuKα","","0.1241","0.0951","","","0.2494","0.2696","","","","","","1.25","","","","has coordinates","153917","2020-10-21","18:00:00",""
"4513560","15.2676","0.0015","6.8912","0.0007","26.705","0.003","90","","95.223","0.01","90","","2798","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C120 H136 N8 O48 -","8","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.062","0.0497","","","0.1201","0.1293","","","","","","1.057","","","","has coordinates","153922","2020-10-21","18:00:00",""
"4513561","8.425","0.0005","11.0485","0.0005","11.9865","0.0005","95.465","0.004","97.045","0.004","103.775","0.004","1066.47","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N3 O11 -","- C22 H21 N3 O11 -","- C44 H42 N6 O22 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.0554","0.0476","","","0.1208","0.1268","","","","","","1.055","","","","has coordinates","153923","2020-10-21","18:00:00",""
"4513562","6.672","0.0005","9.7266","0.0005","12.2504","0.0006","75.448","0.004","77.839","0.005","76.928","0.005","739.51","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","","0.71073","MoKα","","0.0519","0.0426","","","0.1013","0.1067","","","","","","1.037","","","","has coordinates","153924","2020-10-21","18:00:00",""
"4513563","6.993","0.0007","12.7693","0.0008","15.8817","0.0015","89.049","0.006","89.901","0.008","81.41","0.007","1402.1","0.2","99.99","0.11","99.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","2","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","x-ray","0.71073","MoKα","","0.1383","0.0826","","","0.155","0.1799","","","","","","1.091","","","","has coordinates","153925","2020-10-21","18:00:00",""
"4513564","12.1306","0.0003","8.6404","0.0002","15.1096","0.0004","90","","110.143","0.003","90","","1486.82","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O6 S -","- C15 H16 N2 O6 S -","- C60 H64 N8 O24 S4 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Multicomponent Adducts of Pyridoxine: An Evaluation of the Formation of Eutectics and Molecular Salts","Crystal Growth & Design","2015","15","7","3474","","10.1021/acs.cgd.5b00546","","","0.71073","MoKα","","0.04","0.0376","","","0.0988","0.1007","","","","","","1.032","","","","has coordinates","153926","2020-10-21","18:00:00",""
"4513565","11.4489","0.0008","13.1094","0.0009","19.6876","0.0014","90","","90","","90","","2954.9","0.4","275","2","275","2","","","","","","","see text","3","P n n m","-P 2 2n","58","","","","- C11 H18 O -","- C11 H19.3333 O -","- C132 H232 O12 -","12","1.5","","Hassine, Bacem Ben; Negrier, Philippe; Barrio, María; Mondieig, Denise; Massip, Stéphane; Tamarit, Josep Ll.","Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol","Crystal Growth & Design","2015","15","8","4149","","10.1021/acs.cgd.5b00764","","","1.54187","CuKα","","0.1065","0.0689","","","0.1675","0.1815","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513566","11.0746","0.0002","11.0746","0.0002","11.0746","0.0002","90","","90","","90","","1358.26","0.04","293","2","293","2","100","1","100","1","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0262","0.0223","","","0.0564","0.0631","","","","","","1.339","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513567","11.01439","0.00013","11.01439","0.00013","11.01439","0.00013","90","","90","","90","","1336.23","0.03","293","2","293","2","70000","5","70000","5","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0253","0.0247","","","0.0623","0.0631","","","","","","1.402","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513568","10.90107","0.00012","10.90107","0.00012","10.90107","0.00012","90","","90","","90","","1295.41","0.02","293","2","293","2","49000","5000","49000","5000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0295","0.028","","","0.0621","0.0658","","","","","","1.267","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513569","10.75596","0.0001","10.75596","0.0001","10.75596","0.0001","90","","90","","90","","1244.36","0.02","293","2","293","2","1260000","60000","1260000","60000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0287","0.0279","","","0.0695","0.0707","","","","","","1.251","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513570","10.60074","0.00013","10.60074","0.00013","10.60074","0.00013","90","","90","","90","","1191.27","0.03","293","2","293","2","2460000","50000","2460000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0299","0.0261","","","0.0676","0.0686","","","","","","1.206","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513571","10.5186","0.0002","10.5186","0.0002","10.5186","0.0002","90","","90","","90","","1163.79","0.04","293","2","293","2","3280000","90000","3280000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0339","0.0284","","","0.0771","0.0818","","","","","","1.227","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513572","10.3877","0.0003","10.3877","0.0003","10.3877","0.0003","90","","90","","90","","1120.88","0.06","293","2","293","2","4640000","90000","4640000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0346","0.0333","","","0.0886","0.0903","","","","","","1.294","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513573","10.2876","0.0004","10.2876","0.0004","10.2876","0.0004","90","","90","","90","","1088.79","0.07","293","2","293","2","6010000","70000","6010000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0397","0.0378","","","0.0941","0.0959","","","","","","1.217","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513574","10.1821","0.0003","10.1821","0.0003","10.1821","0.0003","90","","90","","90","","1055.63","0.05","293","2","293","2","7710000","80000","7710000","80000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0343","0.0312","","","0.0749","0.0798","","","","","","1.195","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513575","10.0926","0.0004","10.0926","0.0004","10.0926","0.0004","90","","90","","90","","1028.04","0.07","293","2","293","2","9270000","90000","9270000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0345","0.0333","","","0.0811","0.0823","","","","","","1.201","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513576","10.0124","0.0004","10.0124","0.0004","10.0124","0.0004","90","","90","","90","","1003.72","0.07","293","2","293","2","11080000","50000","11080000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0316","0.0297","","","0.0737","0.0755","","","","","","1.256","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513577","9.9313","0.0004","9.9313","0.0004","9.9313","0.0004","90","","90","","90","","979.53","0.07","293","2","293","2","12960000","60000","12960000","60000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0311","0.0293","","","0.0628","0.0655","","","","","","1.248","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513578","9.8525","0.0003","9.8525","0.0003","9.8525","0.0003","90","","90","","90","","956.4","0.05","293","2","293","2","15160000","70000","15160000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.033","","","0.076","0.0766","","","","","","1.138","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513579","9.7729","0.0004","9.7729","0.0004","9.7729","0.0004","90","","90","","90","","933.41","0.07","293","2","293","2","17590000","50000","17590000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.0332","","","0.092","0.0933","","","","","","1.31","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513580","9.7082","0.0005","9.7082","0.0005","9.7082","0.0005","90","","90","","90","","914.99","0.08","293","2","293","2","20070000","90000","20070000","90000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.051","0.0475","","","0.128","0.1336","","","","","","1.297","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513581","9.6502","0.0004","9.6502","0.0004","9.6502","0.0004","90","","90","","90","","898.69","0.06","293","2","293","2","22270000","50000","22270000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0467","0.0448","","","0.1316","0.1327","","","","","","1.184","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513582","9.5895","0.0004","9.5895","0.0004","9.5895","0.0004","90","","90","","90","","881.84","0.06","293","2","293","2","25020000","70000","25020000","70000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0367","0.0341","","","0.0854","0.0883","","","","","","1.275","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513583","9.5367","0.0005","9.5367","0.0005","9.5367","0.0005","90","","90","","90","","867.35","0.08","293","2","293","2","27480000","50000","27480000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0534","0.0467","","","0.1171","0.1287","","","","","","1.318","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513584","9.4913","0.0005","9.4913","0.0005","9.4913","0.0005","90","","90","","90","","855.02","0.08","293","2","293","2","29830000","50000","29830000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0726","0.0584","","","0.1403","0.1676","","","","","","1.206","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513585","9.5962","0.0004","9.5962","0.0004","9.5962","0.0004","90","","90","","90","","883.69","0.06","293","2","293","2","24780000","50000","24780000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0415","0.0386","","","0.0813","0.0828","","","","","","1.332","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513586","9.7089","0.0004","9.7089","0.0004","9.7089","0.0004","90","","90","","90","","915.19","0.07","293","2","293","2","20040000","100000","20040000","100000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0368","0.0306","","","0.0705","0.0738","","","","","","1.277","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513587","9.8807","0.0004","9.8807","0.0004","9.8807","0.0004","90","","90","","90","","964.64","0.07","293","2","293","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.033","0.0296","","","0.0661","0.0716","","","","","","1.292","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513588","10.0509","0.0003","10.0509","0.0003","10.0509","0.0003","90","","90","","90","","1015.35","0.05","293","2","293","2","10130000","110000","10130000","110000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0263","0.0252","","","0.0622","0.0629","","","","","","1.132","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513589","10.3525","0.0003","10.3525","0.0003","10.3525","0.0003","90","","90","","90","","1109.52","0.06","293","2","293","2","5160000","50000","5160000","50000","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0238","0.0223","","","0.0599","0.0621","","","","","","1.275","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4513590","11.06422","0.00019","11.06422","0.00019","11.06422","0.00019","90","","90","","90","","1354.45","0.04","293","2","293","2","20000","5","20000","5","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0342","0.0303","","","0.0616","0.0669","","","","","","1.164","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4513591","11.0646","0.0002","11.0646","0.0002","11.0646","0.0002","90","","90","","90","","1354.59","0.04","293","2","293","2","100","1","100","1","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","arsenolite","","","- As4 O6 -","- As4 O6 -","- As32 O48 -","8","0.0416667","","Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz","Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He","Crystal Growth & Design","2015","15","8","3740","","10.1021/acs.cgd.5b00390","","x-ray","0.41427","","","0.0354","0.0313","","","0.0609","0.0636","","","","","","1.202","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4513592","16.9144","0.0006","29.9433","0.0009","18.654","0.0005","90","","113.636","0.001","90","","8655.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C124 H75 N56 Ni9 O28 W6 -","- C124 H75 N56 Ni9 O28 W6 -","- C248 H150 N112 Ni18 O56 W12 -","2","1","","Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters","Crystal Growth & Design","2015","15","8","3573","","10.1021/acs.cgd.5b00321","","x-ray","0.71075","MoKα","","0.0722","0.0515","","","0.1097","0.1226","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513593","8.6611","0.0017","5.208","0.0009","10.672","0.002","90","","110.561","0.006","90","","450.72","0.15","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine LT phase at 135K","Pyrrolidine - low temperature phase at 135K","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0673","0.0601","","","0.1721","0.1769","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513594","8.74","0.002","5.2169","0.0013","10.816","0.003","90","","110.284","0.008","90","","462.6","0.2","205","2","205","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine LT phase at 205K","Pyrrolidine - low temperature phase at 205K","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0611","0.053","","","0.1417","0.1498","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513595","5.3132","0.0006","10.6916","0.0015","16.268","0.002","90","","90","","90","","924.1","0.2","165","2","165","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 165K","Pyrrolidine - high temperature phase at 165K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0556","0.0502","","","0.1356","0.1405","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513596","5.3112","0.0005","10.7769","0.0013","16.432","0.002","90","","90","","90","","940.54","0.18","207","2","207","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 207K","Pyrrolidine - high temperature phase at 207K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0701","0.0551","","","0.1403","0.1532","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513597","19.2938","0.001","12.359","0.0006","8.6638","0.0004","90","","98.098","0.001","90","","2045.3","0.17","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrrolidine hemihydrate at 190K","Pyrrolidine hemihydrate at 190K","","- C8 H20 N2 O -","- C8 H20 N2 O -","- C64 H160 N16 O8 -","8","2","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0879","0.0642","","","0.1659","0.1896","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513598","7.7347","0.0007","8.094","0.0008","8.6976","0.0008","90","","103.683","0.003","90","","529.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 100K","Pyrrolidine hexahydrate - low temperature phase at 100K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0553","0.0488","","","0.144","0.1525","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513599","7.7773","0.0012","8.1088","0.0012","8.6962","0.0013","90","","103.605","0.004","90","","533.03","0.14","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 150K","Pyrrolidine hexahydrate - low temperature phase at 150K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0472","0.0434","","","0.1149","0.1184","","","","","","1.186","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513600","7.8605","0.0009","8.1447","0.0008","8.6837","0.001","90","","103.559","0.004","90","","540.45","0.1","190","2","190","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Pyrrolidine hexahydrate - LT phase at 190K","Pyrrolidine hexahydrate - low temperature phase at 190K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C8 H42 N2 O12 -","2","0.5","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0627","0.0556","","","0.1543","0.1641","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513601","12.9839","0.0019","10.3156","0.0015","8.2093","0.001","90","","90","","90","","1099.5","0.3","210","2","210","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 210K","Pyrrolidine hexahydrate - high temperature phase at 210K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0574","0.0545","","","0.14","0.1462","","","","","","1.124","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513602","13.044","0.002","10.3955","0.0016","8.225","0.0011","90","","90","","90","","1115.3","0.3","269","2","269","2","","","","","","","","4","C m c m","-C 2c 2","63","Pyrrolidine hexahydrate - HT phase at 269K","Pyrrolidine hexahydrate - high temperature phase at 269K","","- C4 H21 N O6 -","- C4 H21 N O6 -","- C16 H84 N4 O24 -","4","0.25","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.066","0.0645","","","0.1613","0.1636","","","","","","1.161","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513603","17.2166","0.0011","17.2166","0.0011","17.2166","0.0011","90","","90","","90","","5103.2","0.6","220","2","220","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","THF clathrate hydrate type sII","Tetrahydrofurane clathrate hydrate type sII","","- C4 H42 O18 -","- C4 H34 O18 -","- C32 H272 O144 -","8","0.0416667","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0493","0.0431","","","0.1263","0.1307","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513604","8.2121","0.0011","11.6294","0.0015","17.864","0.002","86.45","0.002","80.388","0.002","83.515","0.002","1669.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu3 N8 O5 -","- C28 H34 Cu3 N8 O5 -","- C56 H68 Cu6 N16 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1423","0.0717","","","0.1823","0.2208","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513605","12.872","0.003","12.975","0.003","13.308","0.003","119.156","0.003","94.785","0.003","110.309","0.003","1731.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu3 N8 O6 -","- C30 H40 Cu3 N8 O6 -","- C60 H80 Cu6 N16 O12 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1006","0.0577","","","0.1315","0.1539","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513606","8.1127","0.0004","11.868","0.0007","18.2365","0.0011","87.362","0.003","80.026","0.002","89.25","0.002","1727.45","0.17","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.2 H36.62 Cu3 N8 O5 -","- C31.2045 H36.612 Cu3 N8 O5 -","- C62.409 H73.224 Cu6 N16 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.062","0.0435","","","0.1329","0.1438","","","","","","1.061","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513607","12.486","0.008","12.753","0.008","13.882","0.009","62.927","0.006","65.953","0.007","70.069","0.007","1764","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 Cu3 N8 O6 -","- C31 H42 Cu3 N8 O6 -","- C62 H84 Cu6 N16 O12 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.1626","0.0937","","","0.2506","0.3121","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513608","10.97","0.007","12.495","0.008","13.287","0.008","86.549","0.006","73.839","0.006","68.911","0.005","1630.5","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Cu3 N7 O5 -","- C28 H40 Cu3 N7 O5 -","- C56 H80 Cu6 N14 O10 -","2","1","","Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio","Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3°","Crystal Growth & Design","2015","15","10","4854","","10.1021/acs.cgd.5b00661","","","0.71073","MoKα","","0.2332","0.1003","","","0.2416","0.3135","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513609","23.068","0.005","19.934","0.004","22.714","0.005","90","","115.85","0.03","90","","9400","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H88 Eu3 N13 O45 -","- C72 H48 Eu3 N13 O35 -","- C288 H192 Eu12 N52 O140 -","4","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Luminescent Coordination Polymer with Conjugated Lewis Acid Sites for the Detection of Organic Amines","Crystal Growth & Design","2015","15","10","5040","","10.1021/acs.cgd.5b01026","","","0.71073","MoKα","","0.0872","0.0706","","","0.1675","0.1775","","","","","","1.111","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513610","8.1602","0.0016","11.357","0.002","20.59","0.004","90","","90","","90","","1908.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0622","0.0502","","","0.1366","0.1478","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513611","6.0364","0.0009","17.033","0.003","10.4225","0.0016","90","","102.271","0.003","90","","1047.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0538","0.0395","","","0.0933","0.1006","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513612","31.955","0.003","65.386","0.002","12.957","0.0016","90","","90","","90","","27072","4","293","2","293","2","","","","","","","","7","F 2 2 2","F 2 2","22","","","","- C51 H51 Ba Fe2 N5 Na O17 -","- C48 H40 Ba Fe2 N4 Na O14 -","- C768 H640 Ba16 Fe32 N64 Na16 O224 -","16","1","","Wang, Hui-Hui; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Heterotrimetallic Organic Framework Assembled with FeIII/BaII/NaIand Schiff Base: Structure and Visible Photocatalytic Degradation of Chlorophenols","Crystal Growth & Design","2015","15","10","4986","","10.1021/acs.cgd.5b00925","","","0.71069","MoKα","","0.1077","0.0818","","","0.2332","0.2554","","","","","","1.026","","","","has coordinates","170041","2020-10-21","18:00:00",""
"4513613","10.1554","0.0006","11.9247","0.0008","17.3021","0.0013","102.199","0.005","103.875","0.005","103.151","0.004","1900.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N6 O14 -","- C38 H30 Cd2 N6 O14 -","- C76 H60 Cd4 N12 O28 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.1099","0.0534","","","0.1081","0.1271","","","","","","0.919","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513614","7.95","0.003","9.073","0.003","27.881","0.01","89.3","0.005","84.163","0.005","67.577","0.004","1848.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N6 O11 Zn2 -","- C40 H28 N6 O11 Zn2 -","- C80 H56 N12 O22 Zn4 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0926","0.0574","","","0.1318","0.1426","","","","","","1.046","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513615","10.1647","0.0008","10.2164","0.0008","11.8881","0.001","76.318","0.005","71.923","0.005","86.198","0.005","1140.27","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O7 Zn -","- C24 H18 N4 O7 Zn -","- C48 H36 N8 O14 Zn2 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0882","0.0534","","","0.1215","0.1362","","","","","","1.041","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513616","10.302","0.011","10.341","0.011","11.773","0.013","72.734","0.011","78.801","0.012","88.454","0.012","1174","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cd N4 O7 -","- C24 H20 Cd N4 O7 -","- C48 H40 Cd2 N8 O14 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0396","0.0324","","","0.0777","0.0807","","","","","","1.1","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513617","9.54","0.007","12.277","0.009","12.44","0.009","112.112","0.007","110.466","0.007","100.432","0.008","1179.7","1.5","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C48 H40 N8 O14 Zn2 -","2","1","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.0294","0.0266","","","0.0708","0.0722","","","","","","1.059","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513618","21.8715","0.0017","7.4843","0.0006","32.824","0.002","90","","94.418","0.005","90","","5357.1","0.7","230","2","230.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 Na O12 -","- C28 H18 N4 Na O12 -","- C224 H144 N32 Na8 O96 -","8","2","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","x-ray","0.71073","MoKα","","0.1391","0.0595","","","0.1624","0.1959","","","","","","0.986","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4513619","11.179","0.007","14.316","0.009","16.067","0.01","104.774","0.008","108.939","0.008","106.026","0.008","2163","2","213.15","","213.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 N16 O22 Zn4 -","- C96 H68 N16 O22 Zn4 -","- C96 H68 N16 O22 Zn4 -","1","0.5","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","x-ray","0.71073","MoKα","","0.12","0.0584","","","0.1296","0.1615","","","","","","0.962","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513620","21.981","0.007","8.284","0.002","19.472","0.005","90","","105","0.007","90","","3424.9","1.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N6 O10 Zn -","- C38 H26 N6 O10 Zn -","- C152 H104 N24 O40 Zn4 -","4","0.5","","Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi","New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels","Crystal Growth & Design","2015","15","10","5075","","10.1021/acs.cgd.5b01044","","","0.71073","MoKα","","0.065","0.0409","","","0.0966","0.1044","","","","","","1.006","","","","has coordinates","170778","2020-10-21","18:00:00",""
"4513621","10.983","0.003","11.817","0.003","18.748","0.006","75.62","0.006","87.482","0.007","64.662","0.006","2124.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C104 H84 N12 O16 -","4","2","","Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.","ACS combinatorial science","2015","17","10","623","630","10.1021/acscombsci.5b00093","","","0.71073","MoKα","","0.0631","0.0423","","","0.0961","0.1071","","","","","","1.02","","","","has coordinates","170032","2020-10-21","18:00:00",""
"4513622","8.1145","0.0012","14.457","0.002","15.454","0.003","69.4","0.004","79.555","0.004","83.787","0.004","1666.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H39 N5 O8 -","- C37 H39 N5 O8 -","- C74 H78 N10 O16 -","2","1","","Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.","ACS combinatorial science","2015","17","10","623","630","10.1021/acscombsci.5b00093","","","0.71073","MoKα","","0.1073","0.0605","","","0.1174","0.1356","","","","","","1.018","","","","has coordinates","170032","2020-10-21","18:00:00",""
"4513624","10.2311","0.0005","10.2311","0.0005","10.2311","0.0005","90","","90","","90","","1070.94","0.09","293","2","293","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K6 Na2 Si46 -","- K3.42 Na4.58 Si46 -","- K3.42 Na4.58 Si46 -","1","0.0208333","","Dong, Yongkwan; Nolas, George S.","Crystal Growth through Field-Assisted Electrochemical Redox and Ion-Exchange Reactions: A Case Study of K4.2Na3.8Si46Clathrate-I","Crystal Growth & Design","2015","15","10","4731","","10.1021/acs.cgd.5b00329","","","1.54178","CuKα","","0.0247","0.0222","","","0.0519","0.0532","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513625","10.2296","0.0004","10.2296","0.0004","10.2296","0.0004","90","","90","","90","","1070.47","0.07","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K2 Na6 Si46 -","- K4.188 Na3.812 Si46 -","- K4.188 Na3.812 Si46 -","1","0.0208333","","Dong, Yongkwan; Nolas, George S.","Crystal Growth through Field-Assisted Electrochemical Redox and Ion-Exchange Reactions: A Case Study of K4.2Na3.8Si46Clathrate-I","Crystal Growth & Design","2015","15","10","4731","","10.1021/acs.cgd.5b00329","","","1.54178","CuKα","","0.0181","0.0181","","","0.0503","0.0503","","","","","","1.362","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513626","9.049","0.003","11.126","0.003","14.542","0.003","67.951","0.01","77.3","0.013","81.602","0.013","1320.5","0.6","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 F12 N4 O8 S4 -","- C16 H14 F12 N4 O8 S4 -","- C32 H28 F24 N8 O16 S8 -","2","1","","Tahara, Hironobu; Furue, Yutaro; Suenaga, Chie; Sagara, Takamasa","A Dialkyl Viologen Ionic Liquid: X-ray Crystal Structure Analysis of Bis(trifluoromethanesulfonyl)imide Salts","Crystal Growth & Design","2015","15","10","4735","","10.1021/acs.cgd.5b00645","","","0.71075","MoKα","","","0.0555","","","","0.1161","","","","","","1.043","","","","has coordinates","170037","2020-10-21","18:00:00",""
"4513627","10.8769","0.0012","11.3208","0.0016","16.916","0.003","106.575","0.01","98.754","0.012","108.981","0.013","1817.6","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 F12 N4 O8 S4 -","- C25 H27 F12 N4 O8 S4 -","- C50 H54 F24 N8 O16 S8 -","2","1","","Tahara, Hironobu; Furue, Yutaro; Suenaga, Chie; Sagara, Takamasa","A Dialkyl Viologen Ionic Liquid: X-ray Crystal Structure Analysis of Bis(trifluoromethanesulfonyl)imide Salts","Crystal Growth & Design","2015","15","10","4735","","10.1021/acs.cgd.5b00645","","","0.71075","MoKα","","","0.053","","","","0.1458","","","","","","1.065","","","","has coordinates","170037","2020-10-21","18:00:00",""
"4513628","8.3688","0.0019","9.14","0.002","13.487","0.003","90","","100.234","0.004","90","","1015.2","0.4","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 -","- C16 H10 -","- C64 H40 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0881","0.046","","","0.1006","0.119","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513629","6.8822","0.0013","13.238","0.002","9.2058","0.0017","90","","106.261","0.003","90","","805.2","0.2","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F6 -","- C22 H10 F6 -","- C44 H20 F12 -","2","0.5","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0413","0.0352","","","0.0911","0.0951","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513630","9.1973","0.0012","13.6331","0.0018","14.3279","0.0015","90","","112.02","0.006","90","","1665.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0608","0.0468","","","0.1282","0.1385","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513631","9.155","0.003","13.793","0.004","13.924","0.005","91.993","0.005","105.843","0.006","90.323","0.006","1690.2","1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","2","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.1169","0.0753","","","0.1899","0.2154","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513632","12.267","0.0019","15.636","0.002","9.2024","0.0014","90","","97.593","0.003","90","","1749.6","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F5 I -","- C22 H10 F5 I -","- C88 H40 F20 I4 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0476","0.0367","","","0.0849","0.0901","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513633","11.9762","0.0014","15.3782","0.0017","9.7871","0.0011","90","","99.867","0.002","90","","1775.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0425","0.0311","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513634","14.458","0.004","8.874","0.002","17.339","0.003","90","","126.716","0.015","90","","1783.3","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","1","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.1096","0.0584","","","0.1292","0.1493","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513635","7.046","0.004","8.334","0.004","8.623","0.005","116.29","0.008","90.15","0.009","102.722","0.009","439.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","1","0.5","","Pang, Xue; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Phosphorescent π-Hole···π Bonding Cocrystals of Pyrene with Halo-perfluorobenzenes (F, Cl, Br, I)","Crystal Growth & Design","2015","15","10","4938","","10.1021/acs.cgd.5b00844","","","0.71073","MoKα","","0.0495","0.0422","","","0.095","0.0984","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513636","10.137","0.006","11.802","0.007","13.768","0.008","86.899","0.012","89.523","0.009","88.343","0.011","1644","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 N3 O19.5 P3 Zn3 -","- C17 H27 N8 O19.5 P3 Zn3 -","- C34 H54 N16 O39 P6 Zn6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids","Crystal Growth & Design","2015","15","10","5021","","10.1021/acs.cgd.5b00983","","","0.71073","MoKα","","0.113","0.0829","","","0.2081","0.2276","","","","","","1.091","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513637","15.444","0.008","17.895","0.01","8.979","0.005","90","","90","","90","","2482","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H29 N7 O14 P2 Zn2 -","- C14 H8 N7 O14 P2 Zn2 -","- C56 H32 N28 O56 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids","Crystal Growth & Design","2015","15","10","5021","","10.1021/acs.cgd.5b00983","","","0.71073","MoKα","","0.0697","0.0617","","","0.1548","0.1594","","","","","","1.195","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513638","19.4044","0.0006","19.4044","0.0006","39.924","0.003","90","","90","","90","","15032.6","1.3","173","2","173","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C48 H24 Cu2 N8 O56 P W12 -","- C48 H24 Cu2 N8 O56 P W12 -","- C192 H96 Cu8 N32 O224 P4 W48 -","4","0.125","","Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong","Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism","Crystal Growth & Design","2015","15","10","4952","","10.1021/acs.cgd.5b00857","","","0.71073","MoKα","","0.0619","0.0535","","","0.1568","0.1641","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513639","16.1091","0.0008","24.0118","0.0017","30.5833","0.0016","90","","96.215","0.005","90","","11760.4","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 Cu N6 O47 P W12 -","- C35 H37 Cu N6 O47 P W12 -","- C140 H148 Cu4 N24 O188 P4 W48 -","4","1","","Liao, Jian-Zhen; Wu, Xiao-Yuan; Yong, Jian-Ping; Zhang, Hai-Long; Yang, Wen-Bing; Yu, Rongmin; Lu, Can-Zhong","Anion−π Interaction-Directed Assembly of Polyoxometalate-Based Host‒Guest Compounds and Its Contribution to Photochromism","Crystal Growth & Design","2015","15","10","4952","","10.1021/acs.cgd.5b00857","","","1.54184","CuKα","","0.1605","0.0899","","","0.1921","0.2154","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513640","8.543","0.0011","12.8679","0.0016","14.3027","0.0018","66.316","0.001","74.6","0.001","71.094","0.001","1345.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-Bis(m-chlorodiphenylurea)/TPPO","","","- C31 H25 Cl2 N2 O2 P -","- C31 H25 Cl2 N2 O2 P -","- C62 H50 Cl4 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0319","0.0287","","","0.0798","0.0817","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513641","9.7142","0.0009","11.6676","0.0011","12.9154","0.0012","77.063","0.001","80.745","0.001","68.912","0.001","1325.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","m-chlorodiphenylurea /TPPO","","","- C31 H26 Cl N2 O2 P -","- C31 H26 Cl N2 O2 P -","- C62 H52 Cl2 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0471","0.0384","","","0.0969","0.1007","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513642","11.5017","0.0006","16.714","0.0009","15.4037","0.0008","90","","111.476","0.001","90","","2755.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","mNMePu TPPO","","","- C32 H28 N3 O4 P -","- C32 H28 N3 O4 P -","- C128 H112 N12 O16 P4 -","4","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0412","0.036","","","0.0951","0.0994","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513643","9.7475","0.0012","11.6042","0.0014","13.018","0.0015","77.883","0.002","80.275","0.002","69.372","0.002","1340.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","m-nitrodiphenyl urea : TPPO","","","- C31 H26 N3 O4 P -","- C31 H26 N3 O4 P -","- C62 H52 N6 O8 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.0521","0.0423","","","0.0939","0.0998","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513644","9.0796","0.0012","11.9729","0.0015","14.629","0.0018","66.121","0.001","81.015","0.001","83.584","0.001","1434.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3Bis(m-trifluorotolyldiphenylurea)/TPPO","","","- C33 H25 F6 N2 O2 P -","- C33 H25 F6 N2 O2 P -","- C66 H50 F12 N4 O4 P2 -","2","1","","Solomos, Marina A.; Mohammadi, Cameron; Urbelis, Jessica H.; Koch, Elizabeth S.; Osborne, Rochelle; Usala, Claire C.; Swift, Jennifer A.","Predicting Cocrystallization Based on Heterodimer Energies: The Case ofN,N′-Diphenylureas and Triphenylphosphine Oxide","Crystal Growth & Design","2015","15","10","5068","","10.1021/acs.cgd.5b01039","","","0.71073","MoKα","","0.04","0.0372","","","0.0964","0.0989","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513645","10.3006","0.0011","15.9958","0.0018","19.225","0.002","90","","90","","90","","3167.6","0.6","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","2","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1539","0.0621","","","0.1421","0.1785","","","","","","0.901","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513646","34.25","0.004","13.4692","0.0013","16.482","0.0016","90","","117.008","0.002","90","","6774.3","1.2","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N14 O13 Zn2 -","- C25 H25 N14 O13 Zn2 -","- C200 H200 N112 O104 Zn16 -","8","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.0977","0.0524","","","0.1043","0.1195","","","","","","0.99","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513647","36.018","0.003","36.018","0.003","21.452","0.002","90","","90","","120","","24101","4","290","2","290","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C120 H126 N30 O42 Zn6 -","- C120 H126 N30 O42 Zn6 -","- C720 H756 N180 O252 Zn36 -","6","0.166667","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1292","0.0905","","","0.2763","0.3167","","","","","","1.167","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513649","19.366","0.002","7.5362","0.0008","12.7737","0.0013","90","","97.854","0.001","90","","1846.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0269","0.024","","","0.0523","0.0539","","","","","","0.752","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513650","19.3363","0.0007","7.5375","0.0003","12.7658","0.0005","90","","97.841","0.001","90","","1843.19","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dibromido{(R)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Br2 N2 Pd -","- C20 H16 Br2 N2 Pd -","- C80 H64 Br8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0222","0.0194","","","0.037","0.0378","","","","","","0.898","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513651","19.328","0.003","7.4478","0.0013","12.577","0.002","90","","97.27","0.002","90","","1795.9","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis-dichlorido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)","","- C20 H16 Cl2 N2 Pd -","- C20 H16 Cl2 N2 Pd -","- C80 H64 Cl8 N8 Pd4 -","4","1","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0238","0.0219","","","0.0512","0.0525","","","","","","1.074","","","","has coordinates","194591","2020-10-21","18:00:00",""
"4513652","15.7679","0.0001","15.7679","0.0001","32.7215","0.0005","90","","90","","90","","8135.44","0.14","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","cis-dibromido(methyl-4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)palladium(II)","","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C14.75 H21.5 Br2 Cl1.5 N2 O4 Pd -","- C236 H344 Br32 Cl24 N32 O64 Pd16 -","16","2","","Böge, Matthias; Heck, Jürgen","One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System","Crystal Growth & Design","2015","15","11","5280","","10.1021/acs.cgd.5b00797","","","0.71073","MoKα","","0.0362","0.0298","","","0.0642","0.0666","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513653","13.4131","0.0008","13.4131","0.0008","12.342","0.003","90","","90","","90","","2220.5","0.6","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C120 H76 N8 -","2","0.125","","Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping","Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.","ACS applied materials & interfaces","2015","7","35","19718","19725","10.1021/acsami.5b05256","","","1.54184","CuKα","","0.0981","0.0705","","","0.2002","0.2201","","","","","","1.077","","","","has coordinates","159573","2020-10-21","18:00:00",""
"4513654","14.3503","0.0007","9.2413","0.0004","20.0339","0.0015","90","","107.231","0.006","90","","2537.6","0.3","150","0.14","150","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C120 H76 N8 -","2","0.5","","Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping","Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.","ACS applied materials & interfaces","2015","7","35","19718","19725","10.1021/acsami.5b05256","","","1.54178","CuKα","","0.2081","0.1498","","","0.3862","0.427","","","","","","1.206","","","","has coordinates","159574","2020-10-21","18:00:00",""
"4513655","7.2656","0.0008","15.5315","0.0016","12.533","0.0013","90","","93.44","0.002","90","","1411.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C56 H68 Cl4 N8 O12 -","4","1","","Egorova, Ksenia S.; Seitkalieva, Marina M.; Posvyatenko, Alexandra V.; Khrustalev, Victor N.; Ananikov, Valentine P.","Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding.","ACS medicinal chemistry letters","2015","6","11","1099","1104","10.1021/acsmedchemlett.5b00258","","","0.71073","MoKα","","0.1072","0.0752","","","0.1579","0.1696","","","","","","1.006","","","","has coordinates","170776","2020-10-21","18:00:00",""
"4513656","27.301","0.0018","8.7461","0.0005","10.8469","0.0007","90","","96.239","0.007","90","","2574.7","0.3","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.06","0.0438","","","0.086","0.0966","","","","","","1.05","","","","has coordinates","159576","2020-10-21","18:00:00",""
"4513657","12.1813","0.0006","12.9222","0.0005","16.9425","0.0007","90","","90","","90","","2666.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.0995","0.0553","","","0.1001","0.12","","","","","","1","","","","has coordinates","159577","2020-10-21","18:00:00",""
"4513658","7.2066","0.0003","9.6275","0.0003","9.8499","0.0003","84.696","0.002","74.028","0.002","81.042","0.002","648.12","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Handore, Kishor L.; Jadhav, Prakash D.; Hazra, Bibhabasu; Basu, Anirban; Reddy, D. Srinivasa","Total Syntheses and Biological Evaluation of (±)-Botryosphaeridione, (±)-Pleodendione, 4-epi-Periconianone B, and Analogues.","ACS medicinal chemistry letters","2015","6","11","1117","1121","10.1021/acsmedchemlett.5b00241","","","0.71073","MoKα","","0.0659","0.0513","","","0.1021","0.1081","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513659","8.2898","0.0008","9.0365","0.0008","15.8931","0.0016","84.845","0.008","84.909","0.008","74.567","0.008","1140.38","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N8 Si2 -","- C52 H54 N8 Si2 -","- C52 H54 N8 Si2 -","1","0.5","","An, Cunbin; Guo, Xin; Baumgarten, Martin","Highly Ordered Phenanthroline-Fused Azaacene","Crystal Growth & Design","2015","15","11","5240","","10.1021/acs.cgd.5b00701","","","0.71073","MoKα","","0.0987","0.0513","","","0.1185","0.1386","","","","","","0.981","","","","has coordinates,has disorder","170053","2020-10-21","18:00:00",""
"4513660","8.0609","0.0006","16.2948","0.0011","17.462","0.0012","70.798","0.005","85.053","0.006","82.202","0.006","2143.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Cl2 N6 S Si2 -","- C41 H50 Cl2 N6 S Si2 -","- C82 H100 Cl4 N12 S2 Si4 -","2","1","","An, Cunbin; Guo, Xin; Baumgarten, Martin","Highly Ordered Phenanthroline-Fused Azaacene","Crystal Growth & Design","2015","15","11","5240","","10.1021/acs.cgd.5b00701","","","1.54178","CuKα","","0.2024","0.1389","","","0.3076","0.3425","","","","","","1.805","","","","has coordinates,has disorder","170053","2020-10-21","18:00:00",""
"4513663","16.043","0.002","6.7774","0.001","27.121","0.004","90","","94.443","0.003","90","","2940","0.7","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 Ag N2 -","- C32 H42 Ag N2 -","- C128 H168 Ag4 N8 -","4","0.5","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.0847","0.0536","","","0.1523","0.1716","","","","","","1.026","","","","has coordinates,has disorder","170774","2020-10-21","18:00:00",""
"4513664","30.342","0.004","14.1754","0.0017","27.882","0.003","90","","98.13","0.002","90","","11872","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Ag F2 N3 O3 -","- C32 H40 Ag F2 N3 O3 -","- C512 H640 Ag16 F32 N48 O48 -","16","2","","Liu, Qilun; Yuan, Zheliang; Wang, Hao-yang; Li, Yang; Wu, Yichen; Xu, Tao; Leng, Xuebing; Chen, Pinhong; Guo, Yin-long; Lin, Zhenyang; Liu, Guosheng","Abnormal Mesoionic Carbene Silver Complex: Synthesis, Reactivity, and Mechanistic Insight on Oxidative Fluorination","ACS Catalysis","2015","5","11","6732","","10.1021/acscatal.5b01885","","","0.71073","MoKα","","0.1307","0.0561","","","0.1319","0.165","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513665","7.57","0.003","11.473","0.003","13.139","0.003","64.605","0.007","79.964","0.018","75.83","0.02","996.4","0.5","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 Se -","- C26 H16 N2 Se -","- C52 H32 N4 Se2 -","2","1","","Mondal, Sahidul; Konda, Maruthi; Kauffmann, Brice; Manna, Manoj K.; Das, Apurba K.","Effects of Donor and Acceptor Units Attached with Benzoselenadiazole: Optoelectronic and Self-Assembling Patterns","Crystal Growth & Design","2015","15","11","5548","","10.1021/acs.cgd.5b01179","","","1.54178","CuKα","","0.0839","0.0717","","","0.2257","0.2293","","","","","","1.033","","","","has coordinates","170049","2020-10-21","18:00:00",""
"4513666","13.979","0.002","7.2774","0.0013","32.707","0.006","90","","99.187","0.005","90","","3284.6","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 Se -","- C20 H16 N2 O2 Se -","- C160 H128 N16 O16 Se8 -","8","2","","Mondal, Sahidul; Konda, Maruthi; Kauffmann, Brice; Manna, Manoj K.; Das, Apurba K.","Effects of Donor and Acceptor Units Attached with Benzoselenadiazole: Optoelectronic and Self-Assembling Patterns","Crystal Growth & Design","2015","15","11","5548","","10.1021/acs.cgd.5b01179","","","1.54178","CuKα","","0.0343","0.0318","","","0.0829","0.0842","","","","","","1.124","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513667","7.3145","0.0012","12.604","0.0014","12.3506","0.0019","90","","106.747","0.016","90","","1090.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 I N2 -","- C25 H27 I N2 -","- C50 H54 I2 N4 -","2","1","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0314","0.026","","","0.0551","0.0568","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513668","12.3912","0.0015","7.216","0.0008","16.781","0.002","90","","92.145","0.011","90","","1499.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","- C29 H45 I N2 O S -","1","0.5","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.0715","0.0591","","","0.1677","0.1813","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513669","11.9049","0.0008","12.9122","0.0009","14.2096","0.0016","90","","92.885","0.01","90","","2181.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 I N2 O S -","- C23 H27 I N2 O S -","- C92 H108 I4 N8 O4 S4 -","4","1","","Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli","Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability","Crystal Growth & Design","2015","15","11","5560","","10.1021/acs.cgd.5b01216","","","0.71073","MoKα","","0.076","0.0632","","","0.1464","0.1527","","","","","","1.063","","","","has coordinates","170048","2020-10-21","18:00:00",""
"4513670","5.6056","0.0006","8.907","0.001","19.523","0.003","79.8","0.02","83.5","0.02","81.78","0.02","945.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]I","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C30 H60 I2 N6 -","2","1","","Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena","Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions","Crystal Growth & Design","2015","15","11","5388","","10.1021/acs.cgd.5b01023","","","0.71073","MoKα","","0.0771","0.0448","","","0.0716","0.0825","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513671","8.5428","0.0001","10.3685","0.0002","41.7163","0.0006","95.789","0.001","93.071","0.001","98.116","0.001","3630.76","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H63.25 N3 O4.25 S -","- C35 H63.328 N3 O4.164 S -","- C140 H253.312 N12 O16.656 S4 -","4","2","","Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja-Verena","Mesophase Stabilization in Ionic Liquid Crystals through Pairing Equally Shaped Mesogenic Cations and Anions","Crystal Growth & Design","2015","15","11","5388","","10.1021/acs.cgd.5b01023","","","1.54184","CuKα","","0.0414","0.0373","","","0.0983","0.1011","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513672","10.9329","0.0006","28.934","0.0013","15.0328","0.0007","90","","90.37","0.005","90","","4755.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co3 N2 O17 -","- C48 H32 Co3 N2 O17 -","- C192 H128 Co12 N8 O68 -","4","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.057","0.0438","","","0.1105","0.1205","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513673","33.24","0.003","11.4583","0.0006","16.7276","0.0009","90","","102.785","0.007","90","","6213.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H50 Co3 N6 O18 -","- C34 H25 Co1.5 N3 O9 -","- C272 H200 Co12 N24 O72 -","8","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0792","0.0536","","","0.1162","0.1331","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513674","8.8481","0.0009","12.215","0.003","15.904","0.002","85.741","0.015","75.085","0.01","76.445","0.013","1614.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Co2 N4 O10 -","- C37 H27 Co2 N4 O10 -","- C74 H54 Co4 N8 O20 -","2","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0784","0.0526","","","0.1082","0.1294","","","","","","1.033","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513675","11.7607","0.0017","11.8567","0.0017","13.6483","0.0016","99.178","0.011","104.016","0.011","114.946","0.014","1598.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Co3 N12 O16 -","- C37 H26 Co1.5 N6 O8 -","- C74 H52 Co3 N12 O16 -","2","1","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71073","MoKα","","0.0687","0.0494","","","0.1119","0.1304","","","","","","1.056","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513676","11.852","0.003","12.333","0.007","14.889","0.007","92.06","0.07","109.36","0.04","106.58","0.04","1947.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co3 N12 O14 -","- C92 H60 Co3 N12 O14 -","- C92 H60 Co3 N12 O14 -","1","0.5","","Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties","Crystal Growth & Design","2015","15","12","5781","","10.1021/acs.cgd.5b01124","","","0.71","MoKα","","0.124","0.0744","","","0.1762","0.2263","","","","","","1.041","","","","has coordinates","170779","2020-10-21","18:00:00",""
"4513677","10.0194","0.0008","14.8755","0.0012","33.308","0.002","90","","90","","90","","4964.3","0.6","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cr N O4 P -","- C25 H28 Cr N O4 P -","- C200 H224 Cr8 N8 O32 P8 -","8","2","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.079","0.0527","","","0.1137","0.1274","","","","","","1.021","","","","has coordinates,has disorder","173567","2020-10-21","18:00:00",""
"4513678","11.79138","0.00014","14.69577","0.00018","16.3394","0.0002","90","","94.4771","0.0011","90","","2822.71","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cr N O4 P -","- C29 H36 Cr N O4 P -","- C116 H144 Cr4 N4 O16 P4 -","4","1","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0853","","","","","","1.032","","","","has coordinates","173567","2020-10-21","18:00:00",""
"4513679","11.77","0.005","16.605","0.005","35.069","0.005","90","0.005","90","0.005","90","0.005","6854","4","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H38 Cl3 N P2 Pd S -","- C32 H38 Cl3 N P2 Pd S -","- C256 H304 Cl24 N8 P16 Pd8 S8 -","8","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0847","0.0505","","","0.1446","0.176","","","","","","1.096","","","","has coordinates","169971","2020-10-21","18:00:00",""
"4513680","12.1032","0.0005","15.8942","0.0005","16.1513","0.0007","90","","106.192","0.004","90","","2983.8","0.2","290","2","290","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H36 Cl N O P2 Pd -","- C31 H36 Cl N O P2 Pd -","- C124 H144 Cl4 N4 O4 P8 Pd4 -","4","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0469","0.0345","","","0.1019","0.1342","","","","","","1.053","","","","has coordinates","169972","2020-10-21","18:00:00",""
"4513681","7.8486","0.0013","9.7046","0.0016","10.4672","0.0019","104.171","0.01","110.512","0.01","107.425","0.01","655.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","4","","","- C15 H12 O6 -","- C15 H12 O6 -","- C30 H24 O12 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng","Insight into the Phase Transformation among Various Solid Forms of Baicalein","Crystal Growth & Design","2015","15","10","4959","","10.1021/acs.cgd.5b00858","","","0.71073","MoKα","","0.0692","0.0418","","","0.1132","0.1283","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513682","15.508","0.011","19.22","0.013","25.211","0.017","90","","90","","90","","7514","9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H40 N10 O15 Zn5 -","- C39 H40 N10 O15 Zn5 -","- C156 H160 N40 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1016","0.0551","","","0.1619","0.17","","","","","","0.892","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513683","15.585","0.004","19.237","0.005","25.305","0.007","90","","90","","90","","7587","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H48 N10 O22 Zn5 -","- C39 H48 N10 O22 Zn5 -","- C156 H192 N40 O88 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.2056","0.1067","","","0.2725","0.3441","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513684","15.4775","0.0009","19.1313","0.0012","25.544","0.0015","90","","90","","90","","7563.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N19 O19 Zn5 -","- C56 H83 N19 O19 Zn5 -","- C224 H332 N76 O76 Zn20 -","4","1","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0521","0.0435","","","0.1265","0.1333","","","","","","1.078","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513685","15.1796","0.0019","19.303","0.002","25.806","0.003","90","","90","","90","","7561.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H50 N10 O17 Zn5 -","- C45 H50 N10 O17 Zn5 -","- C180 H200 N40 O68 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.1257","0.0594","","","0.1515","0.1922","","","","","","1.051","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513686","15.578","0.008","19.131","0.01","25.039","0.014","90","","90","","90","","7462","7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H42 N10 O17.5 Zn5 -","- C39 H42 N10 O17.5 Zn5 -","- C156 H168 N40 O70 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0779","0.0573","","","0.1673","0.1817","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513687","15.4115","0.0016","19.185","0.002","25.471","0.003","90","","90","","90","","7531","1.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H41.5 N11.5 O15 Zn5 -","- C39 H41.5 N11.5 O15 Zn5 -","- C156 H166 N46 O60 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0753","0.0598","","","0.1889","0.2102","","","","","","1.133","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513688","15.1988","0.0013","19.2039","0.0016","25.754","0.002","90","","90","","90","","7517","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H44 N10 O15.5 Zn5 -","- C42 H44 N10 O15.5 Zn5 -","- C168 H176 N40 O62 Zn20 -","4","0.5","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0667","0.0516","","","0.1703","0.1885","","","","","","1.158","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513689","22.9097","0.001","6.891","0.0003","14.4132","0.0006","90","","106.62","0.004","90","","2180.36","0.17","100.02","0.13","100.02","0.13","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H14 Cd1.5 N2 O9 -","- C16 H14 Cd1.5 N2 O9 -","- C64 H56 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0446","0.0426","","","0.1122","0.1144","","","","","","1.008","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513690","22.8156","0.0011","6.9955","0.0004","14.4043","0.0007","90","","106.694","0.005","90","","2202.1","0.2","100.12","0.1","100.12","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H10 Cd1.5 N2 O9 -","- C16 H10 Cd1.5 N2 O9 -","- C64 H40 Cd6 N8 O36 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54184","CuKα","","0.0458","0.0422","","","0.1141","0.1185","","","","","","0.974","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513691","13.4617","0.0003","19.9956","0.0003","17.2734","0.0003","90","","110.777","0.002","90","","4347.19","0.15","99.99","0.18","99.99","0.18","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H77 Cd3 N10 O15 -","- C80 H77 Cd3 N10 O15 -","- C160 H154 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0493","0.047","","","0.1209","0.1239","","","","","","1.051","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513692","15.081","0.0005","14.538","0.0004","17.935","0.0005","90","","95.951","0.003","90","","3911","0.2","100","0.16","100","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 Cd3 N10 O15 -","- C64 H48 Cd3 N10 O15 -","- C128 H96 Cd6 N20 O30 -","2","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0594","0.0554","","","0.1465","0.1504","","","","","","1.065","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513693","15.8454","0.0012","20.9947","0.0015","13.9809","0.0007","90","","90","","90","","4651","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H23 Cd1.5 N4 O7 -","- C32 H23 Cd1.5 N4 O7 -","- C128 H92 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0542","0.0451","","","0.1267","0.1327","","","","","","0.883","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513694","15.7264","0.0006","20.8072","0.0011","13.9774","0.0006","90","","90","","90","","4573.7","0.4","293.05","0.1","293.05","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C31.5 H24 Cd1.5 N4 O7 -","- C126 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","1.54178","CuKα","","0.0717","0.0627","","","0.1689","0.1781","","","","","","1.056","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513695","15.9125","0.0003","20.9486","0.0004","13.9023","0.0002","90","","90","","90","","4634.26","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H24 Cd1.5 N4 O7 -","- C32 H24 Cd1.5 N4 O7 -","- C128 H96 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0393","0.0373","","","0.1245","0.1269","","","","","","1.085","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513696","15.9133","0.0008","20.9595","0.0009","13.9143","0.0006","90","","90","","90","","4640.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H25 Cd1.5 N4 O7 -","- C32 H25 Cd1.5 N4 O7 -","- C128 H100 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Xiao, Yu; Zhang, Lei; Zhang, Jian","A Series of Homochiral Helical Metal‒Organic Frameworks Based on Proline Derivatives","Crystal Growth & Design","2015","15","12","5901","","10.1021/acs.cgd.5b01359","","","0.71073","MoKα","","0.0574","0.0454","","","0.1157","0.1205","","","","","","1.071","","","","has coordinates","170780","2020-10-21","18:00:00",""
"4513697","17.5729","0.0018","7.8008","0.0008","14.8637","0.0015","90","","113.662","0.002","90","","1866.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lamotrigine cinnamic acid salt cocrystal","6-(2,3-dichlorophenyl)-1,2,4-trigine-3,5-dimine-(E)-3-phenylprop-2-enoic acid salt cocrystal","","- C18 H15 Cl2 N5 O2 -","- C18 H15 Cl2 N5 O2 -","- C72 H60 Cl8 N20 O8 -","4","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","0.71073","MoKα","","0.0522","0.0447","","","0.1194","0.1266","","","","","","1.048","","","","has coordinates,has disorder","170782","2020-10-21","18:00:00",""
"4513698","10.7918","0.0009","13.6805","0.0012","13.8215","0.0012","90","","110.504","0.001","90","","1911.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lamotrigine-vanilline cocrystal","6-(2,3-dichlorophenyl)-1,2,4-trigine-3,5-dimine-4-hydroxy-3-methoxybenzaldehyde","","- C17 H15 Cl2 N5 O3 -","- C17 H15 Cl2 N5 O3 -","- C68 H60 Cl8 N20 O12 -","4","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","0.71073","MoKα","","0.048","0.0428","","","0.1182","0.1238","","","","","","1.041","","","","has coordinates","170782","2020-10-21","18:00:00",""
"4513699","8.8408","0.0005","10.9916","0.0006","12.1332","0.0005","111.359","0.004","111.196","0.005","93.988","0.005","995.9","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","lamotriginium-salicylate acetonitrile solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-salicylate-acetonitrile solvate","","- C18 H16 Cl2 N6 O3 -","- C18 H16 Cl2 N6 O3 -","- C36 H32 Cl4 N12 O6 -","2","1","","Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R.","Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance","Crystal Growth & Design","2015","15","12","5816","","10.1021/acs.cgd.5b01187","","","1.54184","CuKα","","0.0715","0.0689","","","0.1992","0.2021","","","","","","1.078","","","","has coordinates","170782","2020-10-21","18:00:00",""
"4513700","5.3489","","6.6509","","17.1429","","85.8818","","82.6144","","88.9028","","603.207","","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","1","0.5","","Zhang, Qian-Chong; Takeda, Takashi; Hoshino, Norihisa; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Liquid Crystalline Phase Induced by Molecular Rotator and Dipole Fluctuation","Crystal Growth & Design","2015","15","12","5705","","10.1021/acs.cgd.5b00695","","","1.54187","CuKα","","0.1309","0.0952","","","0.2261","0.267","","","","","","0.947","","","","has coordinates","170781","2020-10-21","18:00:00",""
"4513701","5.3499","","6.6535","","17.1551","","85.881","","82.6239","","88.9109","","603.998","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N3 O2 -","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","1","0.5","","Zhang, Qian-Chong; Takeda, Takashi; Hoshino, Norihisa; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Liquid Crystalline Phase Induced by Molecular Rotator and Dipole Fluctuation","Crystal Growth & Design","2015","15","12","5705","","10.1021/acs.cgd.5b00695","","","1.54187","CuKα","","0.1116","0.0891","","","0.2275","0.2516","","","","","","0.954","","","","has coordinates","170781","2020-10-21","18:00:00",""
"4513719","16.054","0.003","5.3498","0.0006","20.105","0.003","90","","106.442","0.015","90","","1656.1","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C76 H80 O8 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","","","","0.27","","","","","","","","","","","","","","","has coordinates","170696","2020-10-21","18:00:00",""
"4513720","5.446","0.0004","16.8784","0.0017","19.1283","0.0014","90","","91.083","0.007","90","","1758","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.1683","0.073","","","0.0999","0.1413","","","","","","1.049","","","","has coordinates","170703","2020-10-21","18:00:00",""
"4513721","5.614","0.002","32.096","0.012","11.011","0.002","90","","101.47","0.03","90","","1944.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.0974","0.0671","","","0.1422","0.1654","","","","","","1.05","","","","has coordinates","170705","2020-10-21","18:00:00",""
"4513722","5.5396","0.0007","10.8167","0.0013","17.091","0.002","72.01","0.006","81.369","0.006","78.119","0.006","949","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C46 H40 O4 S2 -","2","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.1117","0.0703","","","0.2114","0.2258","","","","","","1.007","","","","has coordinates","170706","2020-10-21","18:00:00",""
"4513723","12.972","0.007","23.853","0.012","19.296","0.009","90","","101.487","0.009","90","","5851","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H10 N6 O6 Ru S3 -","- C21 H10 N6 O6 Ru S3 -","- C84 H40 N24 O24 Ru4 S12 -","4","1","","Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun","Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2015","7","50","27646","27653","10.1021/acsami.5b07364","","","0.71073","MoKα","","0.0851","0.0552","","","0.1168","0.1268","","","","","","0.927","","","","has coordinates","173566","2020-10-21","18:00:00",""
"4513724","31.67","0.005","22.718","0.005","22.929","0.005","90","0.005","130.767","0.005","90","0.005","12494","4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H40 N24 O24 Ru4 S12 -","- C84 H40 N24 O24 Ru4 S12 -","- C168 H80 N48 O48 Ru8 S24 -","2","0.5","","Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun","Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2015","7","50","27646","27653","10.1021/acsami.5b07364","","","0.7","synchrotron","","0.0876","0.0789","","","0.2266","0.2444","","","","","","1.045","","","","has coordinates,has disorder","173566","2020-10-21","18:00:00",""
"4513732","14.3719","0.0008","11.6958","0.0005","14.695","0.003","90","","94.89","0.008","90","","2461.1","0.5","100.3","","100.3","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H85 N3 O15 -","- C45 H85 N3 O15 -","- C90 H170 N6 O30 -","2","1","","Liang, Zuozhong; Wang, Yuan; Wang, Wei; Han, Xianglong; Chen, Jian-Feng; Xue, Chunyu; Zhao, Hong","Structural Correspondence of the Oriented Attachment Growth Mechanism of Crystals of the Pharmaceutical Dirithromycin.","Langmuir : the ACS journal of surfaces and colloids","2015","31","51","13802","13812","10.1021/acs.langmuir.5b02901","","","0.7107","MoKα","","0.06","0.051","","","0.1134","0.1201","","","","","","1.019","","","","has coordinates","173601","2020-10-21","18:00:00",""
"4513751","13.5231","0.0009","13.1489","0.0009","19.3467","0.0014","90","","90","","90","","3440.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ken4-153-9","toste82","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C176 H152 F8 N16 O8 -","8","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0371","0.0369","","","0.0946","0.0948","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513752","7.6084","0.0002","6.4312","0.0002","11.7689","0.0003","90","","103.627","0.001","90","","559.66","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","ken4-150-3","toste80","","- C12 H15 F N2 O -","- C12 H15 F N2 O -","- C24 H30 F2 N4 O2 -","2","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0258","0.0255","","","0.0685","0.0687","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513763","7.8557","0.0002","11.6834","0.0004","13.6223","0.0004","103.37","0.001","94.785","0.001","101.888","0.001","1178.97","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl F6 N3 P Rh -","- C19 H24 Cl F6 N3 P Rh -","- C38 H48 Cl2 F12 N6 P2 Rh2 -","2","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0352","0.0342","","","0.1044","0.1051","","","","","","1.129","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513764","15.666","0.003","7.2906","0.0013","21.328","0.004","90","","90","","90","","2436","0.8","160","2","160","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C20 H26 Cl F6 N3 O P Rh -","- C20 H26 Cl F6 N3 O P Rh -","- C80 H104 Cl4 F24 N12 O4 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.044","0.0352","","","0.0999","0.1197","","","","","","1.305","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513765","30.566","0.004","8.1625","0.0012","22.272","0.003","90","","98.215","0.006","90","","5499.7","1.3","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Cl F6 N4 P Rh -","- C25 H29 Cl F6 N4 P Rh -","- C200 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0412","0.0376","","","0.1065","0.1099","","","","","","1.065","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513766","28.458","0.002","12.7428","0.0012","13.1834","0.0012","90","","90","","90","","4780.8","0.7","140","2","140","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C160 H208 Cl8 F48 N24 P8 Rh8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.065","0.0531","","","0.1351","0.1419","","","","","","1.078","","","","has coordinates","206166","2020-10-21","18:00:00",""
"4513767","21.5542","0.001","21.5542","0.001","26.557","0.003","90","","90","","120","","10685","1.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H31 Cl N3 Rh -","- C23 H31 Cl N3 Rh -","- C414 H558 Cl18 N54 Rh18 -","18","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0498","0.0379","","","0.0838","0.0887","","","","","","1.095","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513768","16.0545","0.0003","7.2176","0.0001","24.4803","0.0004","90","","90","","90","","2836.65","0.08","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H36 Cl F6 N3 P Rh -","- C28 H36 Cl F6 N3 P Rh -","- C112 H144 Cl4 F24 N12 P4 Rh4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0282","0.0252","","","0.0558","0.0576","","","","","","1.058","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513769","15.136","0.004","8.965","0.004","32.085","0.01","90","","102","0.03","90","","4259","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F6 N3 P -","- C23 H18 F6 N3 P -","- C184 H144 F48 N24 P8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.2425","0.1696","","","0.4627","0.5002","","","","","","1.646","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513770","8.3203","0.0001","17.1518","0.0003","13.0268","0.0002","90","","96.731","0.001","90","","1846.22","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 N3 P -","- C19 H18 F6 N3 P -","- C76 H72 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0584","0.0467","","","0.1116","0.1203","","","","","","1.037","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513771","9.3435","0.0007","25.7949","0.0017","12.1804","0.0009","90","","95.655","0.005","90","","2921.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl2 F6 N3 P -","- C28 H28 Cl2 F6 N3 P -","- C112 H112 Cl8 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.2232","0.1026","","","0.2649","0.3817","","","","","","0.896","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513772","8.7885","0.0004","23.335","0.0011","11.5049","0.0006","90","","97.583","0.002","90","","2338.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F3 N3 O3 S -","- C22 H30 F3 N3 O3 S -","- C88 H120 F12 N12 O12 S4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0553","0.041","","","0.0973","0.106","","","","","","1.027","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513773","12.1221","0.0004","9.8286","0.0003","21.8422","0.0007","90","","93.81","0.002","90","","2596.6","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 F6 N4 P -","- C29 H23 F6 N4 P -","- C116 H92 F24 N16 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1129","0.0607","","","0.1441","0.1735","","","","","","1.038","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513774","8.0991","0.0011","11.7222","0.0017","22.981","0.003","90","","109.173","0.006","90","","2060.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F6 N3 P -","- C21 H24 F6 N3 P -","- C84 H96 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1126","0.0906","","","0.1636","0.1648","","","","","","4.872","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513775","13.3734","0.0007","11.2225","0.0006","15.731","0.0008","90","","114.074","0.003","90","","2155.6","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F6 N3 P -","- C22 H24 F6 N3 P -","- C88 H96 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0723","0.0535","","","0.1331","0.1451","","","","","","1.069","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513776","19.6256","0.0012","13.0146","0.0007","25.6519","0.0017","90","","90","","90","","6552","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 F6 N3 P -","- C37 H28 F6 N3 P -","- C296 H224 F48 N24 P8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1608","0.0927","","","0.2599","0.3079","","","","","","1.034","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513777","10.4464","0.0002","10.5483","0.0002","13.2843","0.0003","89.215","0.001","69.09","0.001","66.286","0.001","1237.45","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 F6 N3 P -","- C27 H24 F6 N3 P -","- C54 H48 F12 N6 P2 -","2","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0458","0.0366","","","0.0945","0.1017","","","","","","0.839","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513778","8.1489","0.0018","17.045","0.004","15.403","0.004","90","","101.334","0.012","90","","2097.7","0.9","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 F6 N3 P -","- C18 H26 F6 N3 P -","- C72 H104 F24 N12 P4 -","4","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.0841","0.0592","","","0.1058","0.1079","","","","","","3.03","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513785","7.5275","0.0002","13.3891","0.0004","13.8564","0.0004","90","","91.486","0.002","90","","1396.07","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 theophylline benzamide cocrystal Form I","1,3-dimethyl-7H-purine-2,6-dione benzamide complex","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.0915","0.0477","","","0.1125","0.1295","","","","","","1.026","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513786","7.6545","0.0013","8.3489","0.0014","8.954","0.0016","90.552","0.008","91.339","0.011","110.177","0.012","536.86","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1:1 theophylline acetamide cocrystal","1,3-dimethyl-7H-purine-2,6-dione acetamide complex","","- C9 H13 N5 O3 -","- C9 H13 N5 O3 -","- C18 H26 N10 O6 -","2","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.1294","0.0909","","","0.2189","0.2508","","","","","","1.122","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513787","4.4183","0.0001","14.3872","0.0006","19.3622","0.0009","90","","93.41","0.03","90","","1228.62","0.09","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 theophylline N,N-dimethylformamide cocrystal","1,3-dimethyl-7H-purine-2,6-dione N,N-dimethylformamide complex","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.0889","0.0545","","","0.1309","0.1504","","","","","","1.079","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513788","8.7314","0.0003","6.6582","0.0003","8.8996","0.0004","90","","98.546","0.002","90","","511.64","0.04","270","2","270","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1:1 theophylline formamide cocrystal Form I","1,3-dimethyl-7H-purine-2,6-dione methanamide complex","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","0.5","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.1169","0.0536","","","0.1319","0.1622","","","","","","0.996","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513789","6.6058","0.0013","8.7163","0.0017","8.8843","0.0018","81.34","0.03","87.63","0.03","87.47","0.03","504.9","0.18","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:1 theophylline formamide cocrystal Form II","1,3-dimethyl-7H-purine-2,6-dione methanamide complex","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.0835","0.057","","","0.1343","0.1538","","","","","","1.098","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513790","6.6316","0.0003","8.7905","0.0004","9.5955","0.0004","92.441","0.002","92.929","0.002","90.609","0.002","558.09","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:1 theophylline N-methylformamide cocrystal","1,3-dimethyl-7H-purine-2,6-dione N-methylformamide complex","","- C9 H13 N5 O3 -","- C9 H13 N5 O3 -","- C18 H26 N10 O6 -","2","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.1504","0.1168","","","0.2978","0.3293","","","","","","1.197","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513791","7.48","0.0002","7.6959","0.0002","12.7028","0.0004","86.113","0.002","75.93","0.002","68.995","0.002","662.02","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:1 theophylline pyrazinamide cocrystal Form II","1,3-dimethyl-7H-purine-2,6-dione pyrazine-2-carboxamide complex","","- C12 H13 N7 O3 -","- C12 H13 N7 O3 -","- C24 H26 N14 O6 -","2","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","","","0.71073","MoKα","","0.1064","0.0548","","","0.1138","0.1347","","","","","","1.023","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513792","13.4545","0.0015","13.288","0.0019","7.62149","0.0004","90","","90","","90","","1362.6","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","1:1 theophylline pyrazinamide cocrystal Form I","","","- C12 H13 N7 O3 -","- C12 H13 N7 O3 -","- C48 H52 N28 O12 -","4","1","","Eddleston, Mark D.; Arhangelskis, Mihails; Fábián, Laszlo; Tizzard, Graham J.; Coles, Simon J.; Jones, William","Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals","Crystal Growth & Design","2015","","","","","10.1021/acs.cgd.5b00905","powder diffraction","","1.5418","CuKα","","","","","","","","","0.01","5.235","","","","","","","has coordinates","171809","2020-10-21","18:00:00",""
"4513829","5.684","0.003","8.567","0.0006","6.8598","0.0008","90","","107.97","0.03","90","","317.74","0.18","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0414","0.0335","","","0.0855","0.0907","","","","","","1.082","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513830","5.521","0.012","8.3045","0.0005","6.716","0.002","90","","107.89","0.11","90","","293","0.7","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","","0.71073","MoKα","","0.0249","0.0235","","","0.0593","0.0601","","","","","","1.097","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513831","5.678","0.0009","8.6234","0.0015","6.9697","0.0011","90","","108.215","0.017","90","","324.16","0.1","100","","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0503","0.0473","","","0.1257","0.1276","","","","","","1.092","","","","has coordinates,has disorder","244843","2020-10-21","18:00:00",""
"4513832","5.694","0.0009","8.6422","0.0014","6.977","0.001","90","","108.275","0.016","90","","326.01","0.09","120","2","120","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0512","0.0485","","","0.1359","0.1378","","","","","","1.095","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513833","5.6991","0.0011","8.6352","0.0016","6.9739","0.0013","90","","108.17","0.02","90","","326.09","0.11","140","2","140","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0521","0.048","","","0.1174","0.12","","","","","","1.12","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513834","5.725","0.001","8.6801","0.0017","6.9895","0.0012","90","","108.21","0.02","90","","329.94","0.11","160","","160","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0479","0.0401","","","0.0918","0.0963","","","","","","1.086","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513835","5.7409","0.001","8.7209","0.0016","7.0062","0.0012","90","","108.314","0.019","90","","333","0.11","180","","180","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0737","0.0621","","","0.1677","0.1805","","","","","","1.09","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513836","5.7643","0.0011","8.7576","0.0019","7.0178","0.0014","90","","108.25","0.02","90","","336.45","0.12","200","","200","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","pinacolone","3,3-Dimethyl-2-butanone","","- C6 H12 O -","- C6 H12 O -","- C12 H24 O2 -","2","0.5","","Sobczak, Szymon; Katrusiak, Andrzej","Singularities in Molecular Conformation","Crystal Growth & Design","2015","15","11","5530","5534","10.1021/acs.cgd.5b01156","","x-ray","0.71073","MoKα","","0.0786","0.0646","","","0.1768","0.1896","","","","","","1.064","","","","has coordinates","244843","2020-10-21","18:00:00",""
"4513851","11.917055","0.000036","11.917055","0.000036","11.917055","0.000036","90","","90","","90","","1692.42","0.009","300","","300","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al40 Ce0.07 Lu23.83 O96 Y0.07 -","- Al40 Ce0.0792 Lu23.8416 O96 Y0.0792 -","- Al40 Ce0.0792 Lu23.8416 O96 Y0.0792 -","1","0.0104167","","V.V. Atuchin; N.F. Beisel; E.N. Galashov; E.M. Mandrik; M.S. Molokeev; A.P. Yelisseyev; A.A. Yusuf; Zhiguo Xia","Pressure-stimulated synthesis and luminescence properties of microcrystalline (Lu,Y)3Al5O12:Ce3+ garnet phosphors","ACS Applied Materials & Interfaces","2015","7","47","26235","26243","10.1021/acsami.5b08411","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.21","1.254","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4513852","12.012905","0.000029","12.012905","0.000029","12.012905","0.000029","90","","90","","90","","1733.58","0.007","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al10 Ce0.02 O24 Y5.98 -","- Al10 Ce0.0198 O24 Y5.9802 -","- Al40 Ce0.0792 O96 Y23.9208 -","4","0.0416667","","V.V. Atuchin; N.F. Beisel; E.N. Galashov; E.M. Mandrik; M.S. Molokeev; A.P. Yelisseyev; A.A. Yusuf; Zhiguo Xia","Pressure-stimulated synthesis and luminescence properties of microcrystalline (Lu,Y)3Al5O12:Ce3+ garnet phosphors","ACS Applied Materials & Interfaces","2015","7","47","26235","26243","10.1021/acsami.5b08411","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.14","1.341","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4516259","12.15","0.002","12.15","0.002","24.405","0.002","90","","90","","90","","3602.7","0.9","98","2","98","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H13 N7 O -","- C6 H13 N7 O -","- C96 H208 N112 O16 -","16","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.1","0.085","","","0.1756","0.1835","","","","","","1.016","","","","has coordinates","231213","2020-10-21","18:00:00",""
"4516260","12.2365","0.0008","12.2365","0.0008","24.574","0.003","90","","90","","90","","3679.5","0.6","100","2","100","2","","","","","","","","3","I 41","I 4bw","80","Melamine","","","- C13 H20 N12 -","- C13 H20 N12 -","- C104 H160 N96 -","8","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.1036","0.1025","","","0.1758","0.1954","","","","","","1.981","","","","has coordinates","231214","2020-10-21","18:00:00",""
"4516261","7.2789","0.0003","7.4799","0.0003","10.3316","0.0004","90","","108.495","0.004","90","","533.46","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","MA-1-H2O","","","- C3 H6 N6 -","- C3 H6 N6 -","- C12 H24 N24 -","4","1","","Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin","Solvent Dependent Structures of Melamine: Porous or Nonporous?","Crystal Growth & Design","2015","15","4","1871","","10.1021/acs.cgd.5b00039","","","0.71073","MoKα","","0.0869","0.0856","","","0.1802","0.1818","","","","","","1.769","","","","has coordinates","231215","2020-10-21","18:00:00",""
"4516262","9.709","0.016","18.44","0.03","16.53","0.03","90","","99.02","0.02","90","","2923","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Cl8 P2 Ru2 -","- C58 H60 Cl8 P2 Ru2 -","- C116 H120 Cl16 P4 Ru4 -","2","0.5","","Bacchi, Alessia; Bourne, Susan; Cantoni, Giulia; Cavallone, Silvia A. M.; Mazza, Simona; Mehlana, Gift; Pelagatti, Paolo; Righi, Lara","Reversible Guest Removal and Selective Guest Exchange with a Covalent Dinuclear Wheel-and-Axle Metallorganic Host Constituted by Half-Sandwich Ru(II) Wheels Connected by a Linear Diphosphine Axle","Crystal Growth & Design","2015","15","4","1876","","10.1021/acs.cgd.5b00059","","","0.71073","MoKα","","0.1838","0.0827","","","0.1879","0.2478","","","","","","1.016","","","","has coordinates","231216","2020-10-21","18:00:00",""
"4516263","13.443","0.002","19.383","0.003","13.671","0.002","90","","105.615","0.003","90","","3430.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Cl N O6.5 -","- C35.5 H53 Cl N O6.5 -","- C142 H212 Cl4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0342","0.0327","","0.0794","0.0787","0.0794","","","","","","0.9377","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516264","13.668","0.003","19.384","0.004","13.748","0.003","90","","106.219","0.003","90","","3497.4","1.3","90","","90","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 Br N O6.5 -","- C35.5 H53 Br N O6.5 -","- C142 H212 Br4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0369","0.03","","0.0754","0.0679","0.0754","","","","","","0.9225","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516265","14.028","0.005","19.233","0.006","14.064","0.005","90","","107.618","0.006","90","","3616","2","90","","90","","","","","","","","Synthesized","5","P 1 21 1","P 2yb","4","","","","- C35.5 H53 I N O6.5 -","- C35.5 H53 I N O6.5 -","- C142 H212 I4 N4 O26 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.028","0.0266","","0.0682","0.0664","0.0682","","","","","","0.8954","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4516266","13.963","0.004","18.833","0.005","14.46","0.004","90","","108.723","0.006","90","","3601.3","1.7","90","","90","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C35.5 H53 N2 O9.5 -","- C35.5 H53 N2 O9.5 -","- C142 H212 N8 O38 -","4","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0318","0.031","","0.0792","0.0789","0.0791","","","","","","0.9449","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516267","19.796","0.004","17.583","0.004","23.652","0.005","90","","90","","90","","8233","3","90","","90","","","","","","","","Synthesized","5","P n a 21","P 2c -2n","33","","","","- C34 H51 N O10 S -","- C34 H51 N O10 S -","- C272 H408 N8 O80 S8 -","8","2","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0605","0.0588","","0.1297","0.1293","0.1296","","","","","","0.9767","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516268","19.048","0.009","7.493","0.004","6.555","0.003","90","","99.826","0.008","90","","921.8","0.8","90","","90","","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O10 -","- C18 H22 O10 -","- C36 H44 O20 -","2","0.5","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0533","0.0469","","0.1178","0.1165","0.1172","","","","","","1.0329","","","","has coordinates,has disorder","231217","2020-10-21","18:00:00",""
"4516269","20.173","0.006","17.078","0.005","15.567","0.004","90","","107.768","0.006","90","","5107","3","90","","90","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 Br2 N2 O6 -","- C50 H86 Br2 N2 O6 -","- C200 H344 Br8 N8 O24 -","4","0.5","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0741","0.0523","","0.1417","0.1215","0.1417","","","","","","0.9675","","","","has coordinates","231217","2020-10-21","18:00:00",""
"4516270","7.283","0.004","9.504","0.004","10.849","0.005","73.032","0.01","83.365","0.011","86.632","0.01","713.2","0.6","90","","90","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C15 H19 N4 O3 -","- C15 H19 N4 O3 -","- C30 H38 N8 O6 -","2","1","","White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.","Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds","Crystal Growth & Design","2015","15","3","1540","","10.1021/acs.cgd.5b00062","","","0.71073","MoKα","","0.0462","0.0365","","0.1022","0.0912","0.1022","","","","","","0.9534","","","","has coordinates","231217","2020-10-21","18:00:00",""
"4516271","13.7171","0.0005","18.5012","0.0007","23.9413","0.0008","90","","90","","90","","6075.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Br4 O4 S4 -","- C28 H20 Br4 O4 S4 -","- C224 H160 Br32 O32 S32 -","8","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0366","","","","0.1047","","","","","","0.885","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516272","14.0426","0.0007","15.5862","0.0008","16.1438","0.0007","90","","92.0962","0.0015","90","","3531","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br4 O4 S4 -","- C32 H28 Br4 O4 S4 -","- C128 H112 Br16 O16 S16 -","4","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0437","","","","0.1376","","","","","","1.11","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516273","19.9445","0.0014","15.5065","0.001","17.0986","0.0011","90","","117.056","0.002","90","","4709.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Br4 O4 S4 -","- C44 H52 Br4 O4 S4 -","- C176 H208 Br16 O16 S16 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0317","","","","0.0763","","","","","","1.092","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516274","11.4552","0.0004","13.7098","0.0006","32.1984","0.001","90","","95.2444","0.0012","90","","5035.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Br4 O4 S4 -","- C48 H60 Br4 O4 S4 -","- C192 H240 Br16 O16 S16 -","4","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0389","","","","0.0827","","","","","","1.081","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516275","9.8299","0.0015","17.253","0.003","18.068","0.003","102.319","0.004","104.777","0.004","101.482","0.005","2788.5","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Br4 O4 S4 -","- C52 H68 Br4 O4 S4 -","- C104 H136 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0858","","","","0.2837","","","","","","1.144","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516276","9.9105","0.0005","18.2692","0.001","18.3716","0.0014","68.024","0.001","79.287","0.002","74.945","0.002","2964.1","0.3","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Br4 O4 S4 -","- C56 H76 Br4 O4 S4 -","- C112 H152 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","0.1219","0.0608","","","0.1424","0.2081","","","","","","1.141","","","","has coordinates,has disorder","231218","2020-10-21","18:00:00",""
"4516277","9.9154","0.0004","15.7592","0.0006","20.6523","0.0008","85.7936","0.0011","83.0114","0.0011","76.4902","0.0011","3111.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Br4 O4 S4 -","- C60 H84 Br4 O4 S4 -","- C120 H168 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0382","","","","0.0946","","","","","","1.048","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516278","9.846","0.0005","16.6008","0.0007","21.028","0.0008","91.888","0.001","96.1206","0.0014","105.843","0.0012","3280.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Br4 O4 S4 -","- C64 H92 Br4 O4 S4 -","- C128 H184 Br8 O8 S8 -","2","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0391","","","","0.0908","","","","","","1.083","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516279","7.7433","0.0013","5.3882","0.0009","17.039","0.003","90","","102.523","0.002","90","","694","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N4 O6 V2 -","- C8 H12 Cu N4 O6 V2 -","- C16 H24 Cu2 N8 O12 V4 -","2","0.5","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.033","0.0273","","","0.1322","0.1587","","","","","","1.034","","","","has coordinates","231219","2020-10-21","18:00:00",""
"4516280","13.106","0.003","13.106","0.003","13.634","0.006","90","","90","","90","","2341.9","1.3","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C16 H24 Cu N8 O6 V2 -","- C16 H24 Cu N8 O6 V2 -","- C64 H96 Cu4 N32 O24 V8 -","4","0.5","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.0596","0.0421","","","0.1193","0.1278","","","","","","1.055","","","","has coordinates","231220","2020-10-21","18:00:00",""
"4516281","10.8254","0.0003","16.3599","0.0004","12.9484","0.0003","90","","95.073","0.001","90","","2284.21","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N8 O6 V2 -","- C16 H24 Cu N8 O6 V2 -","- C64 H96 Cu4 N32 O24 V8 -","4","1","","Li, Jikun; Huang, Xianqiang; Yang, Song; Xu, Yanqing; Hu, Changwen","Controllable Synthesis, Characterization, and Catalytic Properties of Three Inorganic‒Organic Hybrid Copper Vanadates in the Highly Selective Oxidation of Sulfides and Alcohols","Crystal Growth & Design","2015","15","4","1907","","10.1021/acs.cgd.5b00086","","","0.71073","MoKα","","0.0331","0.0266","","","0.067","0.0703","","","","","","1.019","","","","has coordinates","231221","2020-10-21","18:00:00",""
"4516282","11.8","0.0007","15.889","0.0008","19.904","0.0011","76.442","0.005","73.057","0.005","76.388","0.005","3413.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H172 O26 Sn4 -","- C122 H142 O26 Sn4 -","- C122 H142 O26 Sn4 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71069","MoKα","","0.1983","0.0987","","","0.2532","0.3223","","","","","","1.166","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516283","12.041","0.0005","17.927","0.0008","18.197","0.0008","106.174","0.004","92.003","0.004","93.137","0.004","3761.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H172 O26 Sn4 -","- C122 H172 O26 Sn4 -","- C122 H172 O26 Sn4 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71069","MoKα","","0.1935","0.0963","","","0.244","0.3069","","","","","","1.149","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516284","20.9661","0.0012","15.8372","0.0009","23.0081","0.0015","90","","98.435","0.006","90","","7557.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C134 H204 O42 Sn12 -","- C134 H204 O42 Sn12 -","- C268 H408 O84 Sn24 -","2","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71073","MoKα","","0.157","0.067","","","0.1341","0.1729","","","","","","1.026","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516285","21.6371","0.001","26.1838","0.0014","26.204","0.002","112.705","0.007","106.067","0.007","105.892","0.005","11885.2","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C312 H306 O66 Sn6 -","- C312 H306 O66 Sn6 -","- C312 H306 O66 Sn6 -","1","0.5","","Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters","Crystal Growth & Design","2015","15","3","1546","","10.1021/acs.cgd.5b00099","","","0.71073","MoKα","","0.3519","0.1147","","","0.2104","0.3058","","","","","","0.971","","","","has coordinates","231222","2020-10-21","18:00:00",""
"4516286","13.557","0.001","17.2802","0.0015","19.7405","0.0016","89.109","0.006","83.989","0.006","73.423","0.005","4407.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 N24 O Zn -","- C56 H42 N24 O Zn -","- C112 H84 N48 O2 Zn2 -","2","1","","Yang, Wei; Li, Bin; Wang, Hailong; Alduhaish, Osamah; Alfooty, Khalid; Zayed, Mohie Aldin; Li, Peng; Arman, Hadi D.; Chen, Banglin","A Microporous Porphyrin-Based Hydrogen-Bonded Organic Framework for Gas Separation","Crystal Growth & Design","2015","15","4","2000","","10.1021/acs.cgd.5b00147","","","0.71073","MoKα","","0.1418","0.1056","","","0.2471","0.2647","","","","","","1.157","","","","has coordinates","231223","2020-10-21","18:00:00",""
"4516287","15.5906","0.0005","10.2509","0.0003","16.2604","0.0006","90","","102.576","0.003","90","","2536.35","0.15","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Co N8 S2 -","- C26 H16 Co N8 S2 -","- C104 H64 Co4 N32 S8 -","4","1","","Palion-Gazda, Joanna; Machura, Barbara; Lloret, Francesc; Julve, Miguel","Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains","Crystal Growth & Design","2015","15","5","2380","","10.1021/acs.cgd.5b00176","","","0.71073","MoKα","","0.0627","0.044","","","0.1063","0.1149","","","","","","1.05","","","","has coordinates","231224","2020-10-21","18:00:00",""
"4516288","15.6066","0.001","10.2064","0.0005","16.1781","0.0012","90","","102.902","0.007","90","","2511.9","0.3","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N8 Ni S2 -","- C26 H16 N8 Ni S2 -","- C104 H64 N32 Ni4 S8 -","4","1","","Palion-Gazda, Joanna; Machura, Barbara; Lloret, Francesc; Julve, Miguel","Ferromagnetic Coupling Through the End-to-End Thiocyanate Bridge in Cobalt(II) and Nickel(II) Chains","Crystal Growth & Design","2015","15","5","2380","","10.1021/acs.cgd.5b00176","","","0.71073","MoKα","","0.067","0.0416","","","0.0897","0.0974","","","","","","1.026","","","","has coordinates","231225","2020-10-21","18:00:00",""
"4516289","5.153","0.001","8.542","0.0017","24.237","0.005","91.77","0.03","95.21","0.03","103.89","0.03","1029.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","copper(II) nonanoate","'catena((m3-nonanoato-O,O,O')-(m2-nonanoato-O,O')-copper(ii))'","","- C18 H34 Cu O4 -","- C18 H34 Cu O4 -","- C36 H68 Cu2 O8 -","2","1","","Ramos Riesco, Miguel; Martínez-Casado, Francisco J.; Cheda, José A. Rodríguez; Redondo Yélamos, M. Isabel; da Silva, Iván; Plivelic, Tomás S.; López-Andrés, Sol; Ferloni, Paolo","New Advances in the One-Dimensional Coordination Polymer Copper(II) Alkanoates Series: Monotropic Polymorphism and Mesomorphism","Crystal Growth & Design","2015","15","4","2005","","10.1021/acs.cgd.5b00182","","","0.978","Synchrotron","","0.0441","0.0411","","","0.1135","0.1162","","","","","","1.063","","","","has coordinates","231226","2020-10-21","18:00:00",""
"4516290","41.5408","0.0009","41.5408","0.0009","41.5408","0.0009","90","","90","","90","","71684","3","293","2","293","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C135 H0 N54 O6 Zn15 -","- C135 N54 O6 Zn15 -","- C1080 N432 O48 Zn120 -","8","0.166667","","Wang, Fei; Fu, Hong-Ru; Zhang, Jian","Homochiral Metal‒Organic Framework with Intrinsic Chiral Topology and Helical Channels","Crystal Growth & Design","2015","15","4","1568","","10.1021/acs.cgd.5b00209","","","0.71073","MoKα","","0.0855","0.0669","","","0.1808","0.1931","","","","","","0.981","","","","has coordinates","231227","2020-10-21","18:00:00",""
"4516291","7.3455","0.0003","20.4878","0.0009","14.8292","0.0007","90","","103.606","0.001","90","","2169.06","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 B2 N2 O4 -","- C58 H42 B2 N2 O4 -","- C116 H84 B4 N4 O8 -","2","0.5","","Herrera-España, Angel D.; Campillo-Alvarado, Gonzalo; Román-Bravo, Perla; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo","Selective Isolation of Polycyclic Aromatic Hydrocarbons by Self-Assembly of a Tunable N→B Clathrate","Crystal Growth & Design","2015","15","4","1572","","10.1021/acs.cgd.5b00219","","","0.71073","MoKα","","0.0769","0.0458","","","0.0954","0.1252","","","","","","1.17","","","","has coordinates","231228","2020-10-21","18:00:00",""
"4516292","9.0771","0.0003","10.8773","0.0003","11.3414","0.0004","77.924","0.001","81.078","0.001","76.833","0.001","1059.41","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 B2 N2 O6 -","- C50 H44 B2 N2 O6 -","- C50 H44 B2 N2 O6 -","1","0.5","","Herrera-España, Angel D.; Campillo-Alvarado, Gonzalo; Román-Bravo, Perla; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo","Selective Isolation of Polycyclic Aromatic Hydrocarbons by Self-Assembly of a Tunable N→B Clathrate","Crystal Growth & Design","2015","15","4","1572","","10.1021/acs.cgd.5b00219","","","0.71073","MoKα","","0.0541","0.0446","","","0.1158","0.1231","","","","","","1.036","","","","has coordinates,has disorder","231229","2020-10-21","18:00:00",""
"4516293","13.1337","0.0012","5.7484","0.0005","12.8992","0.0011","90","","101.08","0.008","90","","955.71","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F4 I2 -","- C20 H10 F4 I2 -","- C40 H20 F8 I4 -","2","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.0512","0.0354","","","0.0606","0.068","","","","","","1.102","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516294","22.1118","0.0006","14.3288","0.0004","8.6508","0.0002","90","","90.657","0.002","90","","2740.7","0.12","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C104 H40 F32 I16 -","4","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.0792","0.0483","","","0.0793","0.0888","","","","","","1.144","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516295","13.25","0.0017","5.759","0.0007","12.6914","0.0019","90","","101.298","0.014","90","","949.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F2 I -","- C10 H6 F2 I -","- C40 H24 F8 I4 -","4","1","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.1961","0.0733","","","0.0964","0.1486","","","","","","1.019","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516296","22.549","0.005","14.166","0.005","8.65","0.005","90","0.005","91.442","0.005","90","0.005","2762","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H12 F8 I4 -","- C26 H12 F8 I4 -","- C104 H48 F32 I16 -","4","0.5","","d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara","Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals","Crystal Growth & Design","2015","15","4","2039","","10.1021/acs.cgd.5b00226","","","0.71073","MoKα","","0.1517","0.0622","","","0.0993","0.1381","","","","","","1.005","","","","has coordinates","231230","2020-10-21","18:00:00",""
"4516297","25.8071","0.0006","6.924","0.0002","12.2426","0.0003","90","","103.501","0.001","90","","2127.16","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(diphenylmethylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C104 H84 N12 O16 -","4","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0554","0.0417","","","0.1086","0.1178","","","","","","1.04","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516298","25.01","0.002","6.9708","0.0007","12.4779","0.0011","90","","90.949","0.006","90","","2175.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(bis(2-hydroxyphenyl)methylene)isonicotinohydrazide)_(salicyclic acid)","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.1532","0.1378","","","0.3928","0.4083","","","","","","1.767","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516299","9.9062","0.0002","12.0906","0.0003","12.4633","0.0003","113.536","0.001","113.077","0.001","96.297","0.001","1194.7","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(di-p-tolylmethylene)isonicotinohydrazide)_(salicyclic acid) Form I","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0587","0.046","","","0.1253","0.1373","","","","","","1.033","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516300","8.252","0.0003","11.2852","0.0004","12.9411","0.0005","77.516","0.002","85.88","0.002","82.91","0.002","1166.39","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(di-p-tolylmethylene)isonicotinohydrazide)_(salicylic acid) Form II","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C56 H50 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0578","0.0428","","","0.1115","0.1219","","","","","","1.023","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516301","6.6193","0.0002","12.3234","0.0003","14.418","0.0003","98.727","0.002","98.596","0.002","100.665","0.002","1123.17","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","((E)-N'-(phenyl(p-tolyl)methylene)isonicotinohydrazide)_(salicyclic acid),","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C54 H46 N6 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0735","0.0469","","","0.1187","0.1338","","","","","","1.028","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516302","7.0057","0.0004","11.5495","0.0007","15.6046","0.0009","87.598","0.004","82.792","0.004","72.85","0.003","1196.91","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","((E)-N'-((4-(dimethylamino)phenyl)(phenyl)methylene)isonicotinohydrazide)_ (salicylic acid)","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C56 H52 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.1158","0.0572","","","0.1289","0.1511","","","","","","0.878","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516303","9.2815","0.0003","11.7198","0.0003","12.2187","0.0003","94.405","0.001","110.971","0.002","113.076","0.002","1104.72","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C52 H44 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0719","0.0483","","","0.1252","0.1403","","","","","","1.009","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516304","7.8452","0.0003","10.7034","0.0004","13.1775","0.0005","90","","93.234","0.003","90","","1104.76","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N'-((4-aminophenyl)(phenyl)methylene)isonicotinohydrazide)_(salicylic acid)","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C52 H44 N8 O8 -","2","1","","Smith, Mark G.; Forbes, Roy P.; Lemmerer, Andreas","Covalent-Assisted Supramolecular Synthesis: Masking of Amides in Co-Crystal Synthesis using Benzophenone Derivatives","Crystal Growth & Design","2015","15","8","3813","","10.1021/acs.cgd.5b00462","","","0.71073","MoKα","","0.0998","0.0713","","","0.2024","0.228","","","","","","1.039","","","","has coordinates","231232","2020-10-21","18:00:00",""
"4516305","9.174","0.002","12.815","0.003","14.399","0.003","86.24","0.02","86.33","0.01","77.38","0.02","1646.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridyl)ethane-3,4-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","2","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0613","0.0515","","","0.1506","0.1596","","","","","","1.096","","","","has coordinates","231233","2020-10-21","18:00:00",""
"4516306","9.552","0.002","10.806","0.002","16.346","0.003","90","","102.34","0.02","90","","1648.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-pyridyl)ethane-2,4-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0605","0.0399","","","0.1051","0.1132","","","","","","1.078","","","","has coordinates","231234","2020-10-21","18:00:00",""
"4516307","7.7094","0.0007","10.51","0.001","11.0988","0.0012","113.937","0.01","105.773","0.009","92.455","0.007","778.92","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","sv151","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0779","0.0562","","","0.1721","0.187","","","","","","1.17","","","","has coordinates","231235","2020-10-21","18:00:00",""
"4516308","9.588","0.001","10.431","0.001","13.187","0.001","90","","123.94","0.05","90","","1094.2","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene - 2,3-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0631","0.0475","","","0.1264","0.1319","","","","","","1.05","","","","has coordinates","231236","2020-10-21","18:00:00",""
"4516309","3.811","0.001","10.342","0.003","10.844","0.003","65.84","0.03","85.83","0.03","89.45","0.03","388.8","0.2","298","2","298","2","","","","","","","","4","P 1","P 1","1","","1,2-bis(4-pyridyl)ethene-2,4-dihydroxybenzoic acid complex","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","1","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0531","0.0451","","","0.104","0.1088","","","","","","1.178","","","","has coordinates","231237","2020-10-21","18:00:00",""
"4516310","17.082","0.003","10.786","0.002","24.632","0.003","90","","133.72","0.07","90","","3280","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene-3,4-dihydroxybenzoic acid complex","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","2","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1512","0.0533","","","0.0939","0.119","","","","","","0.838","","","","has coordinates","231238","2020-10-21","18:00:00",""
"4516311","8.298","0.001","6.879","0.001","20.191","0.002","90","","98.3","0.08","90","","1140.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethene-2,6-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C52 H44 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0778","0.0431","","","0.0955","0.1265","","","","","","1.048","","","","has coordinates","231239","2020-10-21","18:00:00",""
"4516312","8.265","0.002","9.398","0.002","10.574","0.003","91.08","0.02","91.07","0.02","98.67","0.02","811.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridyl)ethane-2,3-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0486","0.0382","","","0.1087","0.128","","","","","","1.13","","","","has coordinates","231240","2020-10-21","18:00:00",""
"4516313","8.015","0.01","18.131","0.002","11.088","0.01","90","","90.5","0.1","90","","1611","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis(4-pyridyl)ethane-2,5-dihydroxybenzoic acid complex","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1256","0.041","","","0.0904","0.1436","","","","","","0.825","","","","has coordinates","231241","2020-10-21","18:00:00",""
"4516314","6.827","0.001","8.734","0.002","9.852","0.002","77.06","0.03","72.84","0.03","87.22","0.03","546.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4-pyridyl)ethene-2,5-dihydroxybenzoic acid complex","","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","- C26 H22 N2 O8 -","1","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.1199","0.0789","","","0.1962","0.2247","","","","","","1.059","","","","has coordinates","231242","2020-10-21","18:00:00",""
"4516315","8.325","0.001","6.947","0.001","19.916","0.002","90","","97.84","0.08","90","","1141.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-pyridyl)ethane-2,6-dihydroxybenzoic acid","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C52 H48 N4 O16 -","2","0.5","","Varughese, Sunil; Hoser, Anna A.; Jarzembska, Katarzyna N.; Pedireddi, V. R.; Woźniak, Krzysztof","Positional Isomerism and Conformational Flexibility Directed Structural Variations in the Molecular Complexes of Dihydroxybenzoic Acids","Crystal Growth & Design","2015","15","8","3832","","10.1021/acs.cgd.5b00471","","","0.71073","MoKα","","0.0817","0.0444","","","0.0998","0.1328","","","","","","1.039","","","","has coordinates","231243","2020-10-21","18:00:00",""
"4516316","13.004","0.003","14.526","0.003","15.719","0.003","96.334","0.011","111.829","0.01","112.19","0.01","2441.2","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 N12 Ni2 O16 -","- C40 H42 Cl2 N12 Ni2 O16 -","- C80 H84 Cl4 N24 Ni4 O32 -","2","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.","Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization","Crystal Growth & Design","2015","15","9","4318","","10.1021/acs.cgd.5b00616","","","0.71073","MoKα","","0.123","0.0685","","","0.1617","0.193","","","","","","1.019","","","","has coordinates,has disorder","231244","2020-10-21","18:00:00",""
"4516317","13.2562","0.0006","14.6172","0.0006","15.7489","0.0006","95.369","0.002","111.117","0.002","114.983","0.002","2468.99","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl2 Cu2 N12 O15 -","- C44 H42 Cl2 Cu2 N12 O15 -","- C88 H84 Cl4 Cu4 N24 O30 -","2","1","","Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M.","Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization","Crystal Growth & Design","2015","15","9","4318","","10.1021/acs.cgd.5b00616","","","0.71073","MoKα","","0.1667","0.0715","","","0.1342","0.1669","","","","","","1.021","","","","has coordinates,has disorder","231245","2020-10-21","18:00:00",""
"4516318","9.63","0.0004","10.0916","0.0004","11.7335","0.0006","87.958","0.004","67.638","0.004","68.181","0.004","971.53","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 N2 O13 Pr -","- C15 H8 N2 O13 Pr -","- C30 H16 N4 O26 Pr2 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0436","0.0409","","","0.1292","0.1355","","","","","","0.944","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516319","9.4381","0.0003","12.2437","0.0005","18.6387","0.0008","86.308","0.004","81.316","0.003","68.892","0.004","1986.17","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl N3 Nd2 O23 -","- C30 H34 Cl N3 Nd2 O23 -","- C60 H68 Cl2 N6 Nd4 O46 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0535","0.0419","","","0.0896","0.0946","","","","","","0.974","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516320","9.8876","0.0007","10.2189","0.0004","12.3454","0.0006","95.853","0.004","112.751","0.006","110.95","0.005","1031.64","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl Eu N O11 -","- C15 H19 Cl Eu N O11 -","- C30 H38 Cl2 Eu2 N2 O22 -","2","1","","Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.","Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2015","15","9","4331","","10.1021/acs.cgd.5b00625","","","0.71073","MoKα","","0.0628","0.0552","","","0.155","0.1622","","","","","","1.083","","","","has coordinates","231246","2020-10-21","18:00:00",""
"4516321","6.1688","0.0005","9.4614","0.0008","13.2542","0.001","71.37","0.004","77.094","0.003","76.917","0.004","704.4","0.1","268","2","268","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C22 H36 Cl2 N2 O8 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0609","0.0497","","","0.138","0.148","","","","","","1.061","","","","has coordinates,has disorder","231247","2020-10-21","18:00:00",""
"4516322","24.8495","0.0009","11.3672","0.0004","8.546","0.0003","90","","106.166","0.002","90","","2318.53","0.14","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl N O6 -","- C27 H22 Cl N O6 -","- C108 H88 Cl4 N4 O24 -","4","0.5","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0445","0.0371","","","0.0975","0.1029","","","","","","1.04","","","","has coordinates,has disorder","231248","2020-10-21","18:00:00",""
"4516323","11.2329","0.0002","11.9856","0.0002","12.5798","0.0003","90","","90","","90","","1693.66","0.06","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O3 -","- C15 H26 Cl N O3 -","- C60 H104 Cl4 N4 O12 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.037","0.032","","","0.0835","0.0865","","","","","","1.05","","","","has coordinates","231249","2020-10-21","18:00:00",""
"4516324","8.4357","0.0001","10.9612","0.0002","18.4019","0.0003","90","","90","","90","","1701.54","0.05","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O4 -","- C15 H26 Cl N O4 -","- C60 H104 Cl4 N4 O16 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0296","0.028","","","0.0739","0.0751","","","","","","1.039","","","","has coordinates","231250","2020-10-21","18:00:00",""
"4516325","10.0685","0.0002","13.5954","0.0002","16.5004","0.0002","113.934","0.001","105.063","0.001","91.573","0.001","1970.79","0.06","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cl3 N3 O16 -","- C36 H38 Cl3 N3 O16 -","- C72 H76 Cl6 N6 O32 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0461","0.0356","","","0.09","0.096","","","","","","1.043","","","","has coordinates,has disorder","231251","2020-10-21","18:00:00",""
"4516326","9.2424","0.0003","10.1573","0.0003","14.5934","0.0004","108.077","0.001","101.343","0.001","95.392","0.001","1259.16","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O9 -","- C24 H26 Cl2 N2 O9 -","- C48 H52 Cl4 N4 O18 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0419","0.0345","","","0.0903","0.1029","","","","","","1.103","","","","has coordinates,has disorder","231252","2020-10-21","18:00:00",""
"4516327","9.9534","0.001","10.7034","0.0011","12.9836","0.0013","81.478","0.004","74.616","0.003","74.498","0.003","1280.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cl N O10 -","- C24 H32 Cl N O10 -","- C48 H64 Cl2 N2 O20 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.048","0.0433","","","0.1125","0.1207","","","","","","1.069","","","","has coordinates","231253","2020-10-21","18:00:00",""
"4516328","26.2279","0.0006","13.688","0.0004","11.4604","0.0003","90","","101.941","0.001","90","","4025.34","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl N O8 -","- C18 H24 Cl N O8 -","- C144 H192 Cl8 N8 O64 -","8","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0457","0.0391","","","0.1122","0.1194","","","","","","1.023","","","","has coordinates","231254","2020-10-21","18:00:00",""
"4516329","8.5052","0.0012","10.144","0.0014","15.638","0.002","83.028","0.004","74.421","0.005","86.909","0.005","1289.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl N O6 -","- C26 H36 Cl N O6 -","- C52 H72 Cl2 N2 O12 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0432","0.0406","","","0.1031","0.1056","","","","","","1.063","","","","has coordinates","231255","2020-10-21","18:00:00",""
"4516330","12.4053","0.0003","6.7701","0.0002","14.9514","0.0003","90","","106.374","0.001","90","","1204.77","0.05","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0343","0.0297","","","0.0792","0.0823","","","","","","1.047","","","","has coordinates","231256","2020-10-21","18:00:00",""
"4516331","9.3111","0.0005","7.9191","0.0004","28.5924","0.0014","90","","99.185","0.002","90","","2081.24","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl N O7 -","- C18 H26 Cl N O7 -","- C72 H104 Cl4 N4 O28 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0399","0.035","","","0.0968","0.101","","","","","","1.037","","","","has coordinates,has disorder","231257","2020-10-21","18:00:00",""
"4516332","7.1511","0.0002","12.2664","0.0002","12.8326","0.0002","77.93","0.001","75.339","0.001","87.319","0.001","1064.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cl N O11 -","- C18 H26 Cl N O11 -","- C36 H52 Cl2 N2 O22 -","2","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0408","0.0361","","","0.0991","0.1032","","","","","","1.025","","","","has coordinates,has disorder","231258","2020-10-21","18:00:00",""
"4516333","8.36352","0.00005","16.48723","0.00011","6.71641","0.00005","90","","105.536","0.0004","90","","892.295","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.048","5.581","","","","","","","has coordinates","231259","2020-10-21","18:00:00",""
"4516334","7.84646","0.00008","17.33453","0.00017","6.75078","0.00007","90","","100.287","0.0006","90","","903.446","0.016","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.091","10.663","","","","","","","has coordinates","231260","2020-10-21","18:00:00",""
"4516335","8.35615","0.00005","17.03644","0.00011","6.87656","0.00005","90","","104.287","0.0004","90","","948.664","0.011","350","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium bromide","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.95336","Synchrotron","","","","","","","","","0.055","5.347","","","","","","","has coordinates","231261","2020-10-21","18:00:00",""
"4516336","7.99132","0.00006","16.45676","0.00013","6.68451","0.00006","90","","104.042","0.0005","90","","852.821","0.012","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-ethyl-2,3-dimethylimidazolium chloride","","","- C7 H13 Cl N2 -","- C7 H13 Cl N2 -","- C28 H52 Cl4 N8 -","4","1","","de Pedro, I.; García-Saiz, A.; Dupont, J.; Migowski, P.; Vallcorba, O.; Junquera, J.; Rius, J.; Rodríguez Fernández, J.","On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts","Crystal Growth & Design","2015","15","11","5207","","10.1021/acs.cgd.5b00633","powder diffraction","","0.82621","Synchrotron","","","","","","","","","0.057","8.499","","","","","","","has coordinates","231262","2020-10-21","18:00:00",""
"4516337","12.335","0.003","10.607","0.002","17.974","0.004","90","","106.33","0.03","90","","2256.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 N2 O -","- C31 H18 N2 O -","- C124 H72 N8 O4 -","4","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.1837","0.0701","","","0.1303","0.1708","","","","","","1.003","","","","has coordinates","231263","2020-10-21","18:00:00",""
"4516338","11.345","0.002","11.415","0.002","13.446","0.003","72.56","0.03","76.89","0.03","70.07","0.03","1546.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H25 N4 O -","- C41 H25 N4 O -","- C82 H50 N8 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.209","0.0956","","","0.182","0.2252","","","","","","1.042","","","","has coordinates","231264","2020-10-21","18:00:00",""
"4516339","11.176","0.002","11.394","0.002","13.466","0.003","72.83","0.03","78.68","0.03","69.39","0.03","1525.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N4 O2 -","- C38 H24 N4 O2 -","- C76 H48 N8 O4 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.212","0.0955","","","0.1585","0.1948","","","","","","1.059","","","","has coordinates","231265","2020-10-21","18:00:00",""
"4516340","11.306","0.002","11.395","0.002","13.377","0.003","72.38","0.03","76.89","0.03","69.92","0.03","1528.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Cl N4 O -","- C40 H22 Cl N4 O -","- C80 H44 Cl2 N8 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.457","0.1619","","","0.223","0.3138","","","","","","1.083","","","","has coordinates","231266","2020-10-21","18:00:00",""
"4516341","9.064","0.0018","11.721","0.002","16.445","0.003","99.43","0.03","105.49","0.03","91.66","0.03","1656","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H22 N6 O -","- C43 H22 N6 O -","- C86 H44 N12 O2 -","2","1","","Sun, Hao; Wang, Mingliang; Wei, Xiang; Zhang, Ruimin; Wang, Shengzhi; Khan, Arshad; Usman, Rabia; Feng, Qi; Du, Man; Yu, Fangfang; Zhang, Wei; Xu, Chunxiang","Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ","Crystal Growth & Design","2015","15","8","4032","","10.1021/acs.cgd.5b00656","","","0.71073","MoKα","","0.2235","0.1043","","","0.1856","0.2257","","","","","","1.115","","","","has coordinates","231267","2020-10-21","18:00:00",""
"4516342","11.7036","0.0007","9.502","0.0004","3.8171","0.0003","90","","90","","90","","424.49","0.05","280","0.1","280","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0505","0.0408","","","0.0992","0.1036","","","","","","1.097","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516343","11.687","0.004","9.497","0.003","3.7988","0.0013","90","","90","","90","","421.6","0.2","260","0.1","260","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1143","0.0572","","","0.1114","0.1409","","","","","","1.051","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516344","11.682","0.004","9.492","0.003","3.7897","0.0012","90","","90","","90","","420.2","0.2","250","0.1","250","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1053","0.0505","","","0.1007","0.1268","","","","","","1.033","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516345","11.666","0.004","9.487","0.003","3.785","0.0012","90","","90","","90","","418.9","0.2","240","0.1","240","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1072","0.0556","","","0.1181","0.1486","","","","","","1.079","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516346","11.66","0.003","9.479","0.003","3.7837","0.0012","90","","90","","90","","418.2","0.2","235","0.1","235","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1077","0.054","","","0.1032","0.1274","","","","","","1.009","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516347","11.66","0.003","9.48","0.003","3.7771","0.001","90","","90","","90","","417.5","0.2","230","0.1","230","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1001","0.0496","","","0.0877","0.1093","","","","","","1.068","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516348","11.664","0.003","9.479","0.003","3.7749","0.0011","90","","90","","90","","417.4","0.2","225","0.1","225","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0962","0.0495","","","0.0959","0.1199","","","","","","1.023","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516349","11.659","0.003","9.479","0.003","3.7704","0.001","90","","90","","90","","416.7","0.2","220","0.1","220","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0978","0.0558","","","0.1126","0.1334","","","","","","1.006","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516350","11.651","0.003","9.475","0.003","3.7623","0.001","90","","90","","90","","415.3","0.2","210","0.1","210","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.093","0.0484","","","0.0959","0.1165","","","","","","1.022","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516351","11.6379","0.0005","9.4709","0.0003","3.7529","0.00018","90","","90","","90","","413.65","0.03","200","0.1","200","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0329","0.0312","","","0.0872","0.088","","","","","","1.107","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516352","11.665","0.003","9.483","0.003","3.774","0.0012","90","","90","","90","","417.5","0.2","222.5","0.1","222.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1095","0.0566","","","0.1153","0.1424","","","","","","1.059","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516353","11.665","0.004","9.484","0.004","3.7782","0.0013","90","","90","","90","","418","0.3","227.5","0.1","227.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1161","0.0579","","","0.1077","0.1377","","","","","","1.073","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516354","11.673","0.005","9.484","0.004","3.7782","0.0011","90","","90","","90","","418.3","0.3","232.5","0.1","232.5","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1304","0.0638","","","0.1206","0.1655","","","","","","1.093","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516355","11.667","0.006","9.491","0.005","3.7874","0.0015","90","","90","","90","","419.4","0.4","245","0.1","245","0.1","","","100","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.1697","0.063","","","0.1161","0.1665","","","","","","1.034","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516356","11.699","0.002","9.5","0.0019","3.8295","0.0008","90","","90","","90","","425.61","0.14","295","2","295","2","","","320000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0708","0.0421","","","0.0806","0.0913","","","","","","1.087","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516357","11.574","0.002","9.4736","0.0019","3.7485","0.0007","90","","90","","90","","411.01","0.13","295","2","295","2","","","520000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0338","0.0277","","","0.0726","0.077","","","","","","1.123","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516358","11.463","0.002","9.445","0.0019","3.6821","0.0007","90","","90","","90","","398.65","0.13","295","2","295","2","","","710000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0419","0.0289","","","0.0332","0.0361","","","","","","1.102","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516359","11.443","0.009","9.437","0.007","3.682","0.002","90","","90","","90","","397.6","0.5","295","2","295","2","","","730000","","","","","3","P n a 21","P 2c -2n","33","pyrimidine","pyrimidine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0629","0.0393","","","0.0982","0.1108","","","","","","1.127","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516360","22.096","0.012","9.507","0.005","3.6415","0.0015","90","","90","","95.05","0.06","762","0.7","295","2","295","2","","","1020000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0517","0.0407","","","0.0649","0.0696","","","","","","1.194","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516361","22.069","0.012","9.51","0.004","3.6252","0.0008","90","","90","","95.13","0.04","757.8","0.5","295","2","295","2","","","1070000","","","","","3","P 1 1 21/a","-P 2ac","14","pyrimidine","pyrimidine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C32 H32 N16 -","8","2","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0852","0.0651","","","0.081","0.0876","","","","","","1.19","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516362","11.171","0.009","9.245","0.004","3.5885","0.0016","90","","90.39","0.08","90","","370.6","0.4","295","2","295","2","","","1260000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrimidine","pyrimidine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.0886","0.0649","","","0.1843","0.2122","","","","","","1.162","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516363","11.109","0.007","9.2258","0.0017","3.555","0.0018","90","","90.73","0.08","90","","364.3","0.3","295","2","295","2","","","1390000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrimidine","pyrimidine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","CH···N Bonds and Dynamics in Isostructural Pyrimidine Polymorphs","Crystal Growth & Design","2015","15","8","4039","","10.1021/acs.cgd.5b00657","","","0.71073","MoKα","","0.048","0.0392","","","0.0543","0.0574","","","","","","1.322","","","","has coordinates","231268","2020-10-21","18:00:00",""
"4516364","9.2605","0.0008","10.5797","0.0012","10.7704","0.0015","60.921","0.01","85.569","0.012","65.892","0.009","832","0.2","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O S2 -","- C20 H16 N2 O S2 -","- C40 H32 N4 O2 S4 -","2","1","","Pyziak, Mikołaj; Pyziak, Jadwiga; Hoffmann, Marcin; Kubicki, Maciej","Experimental and Theoretical Charge Density Studies of Chalcogen Bonding and Other Intermolecular Contacts in 4-[[4-(Methoxy)-3-quinolinyl]thio]-3-thiomethylquinoline","Crystal Growth & Design","2015","15","11","5223","","10.1021/acs.cgd.5b00676","","","0.71073","MoKα","","0.0668","0.0391","","","0.0269","0.069","","","","","","3.605","","","","has coordinates","231269","2020-10-21","18:00:00",""
"4516369","14.633","0.005","9.37","0.005","15.966","0.005","90","0.005","114.871","0.005","90","0.005","1986.1","1.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 N6 O8 S -","- C39 H54 N6 O8 S -","- C78 H108 N12 O16 S2 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1354","0.0674","","","0.0746","0.0896","","","","","","0.989","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516370","14.275","0.0002","9.6424","0.0005","16.008","0.002","90","","111.617","0.012","90","","2048.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H57 Cl N6 O8 -","- C38 H51 Cl N6 O8 -","- C76 H102 Cl2 N12 O16 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.214","0.0965","","","0.1375","0.1847","","","","","","1.015","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516371","14.3053","0.0007","9.7478","0.0004","15.847","0.0001","90","","111.404","0.007","90","","2057.38","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H55 Br N6 O7 -","- C38 H51 Br N6 O7 -","- C76 H102 Br2 N12 O14 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1214","0.0643","","","0.1023","0.1231","","","","","","1.016","","","","has coordinates","231271","2020-10-21","18:00:00",""
"4516372","14.3578","0.0007","9.4796","0.0004","15.9818","0.0013","90","","111.131","0.007","90","","2029","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H53 I N6 O6 -","- C38 H51 I N6 O6 -","- C76 H102 I2 N12 O12 -","2","1","","Fandaruff, Cinira; Chelazzi, Laura; Braga, Dario; Cuffini, Silvia Lucia; Silva, Marcos Antônio Segatto; Resende, Jackson A. L. C.; Dichiarante, Elena; Grepioni, Fabrizia","Isomorphous Salts of Anti-HIV Saquinavir Mesylate: Exploring the Effect of Anion-Exchange on Its Solid-State and Dissolution Properties","Crystal Growth & Design","2015","15","11","5233","","10.1021/acs.cgd.5b00696","","","0.71073","MoKα","","0.1721","0.084","","","0.207","0.2646","","","","","","1.02","","","","has coordinates,has disorder","231271","2020-10-21","18:00:00",""
"4516373","10.2719","0.0009","10.3488","0.0006","10.8229","0.0009","107.583","0.006","100.84","0.007","109.819","0.007","976.16","0.16","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O9 -","- C20 H21 N3 O9 -","- C40 H42 N6 O18 -","2","1","","Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu","Lenalidomide‒Gallic Acid Cocrystals with Constant High Solubility","Crystal Growth & Design","2015","15","10","4869","","10.1021/acs.cgd.5b00699","","","1.54184","CuKα","","0.0661","0.0496","","","0.1232","0.1365","","","","","","1.034","","","","has coordinates","231272","2020-10-21","18:00:00",""
"4516374","7.4961","0.0007","8.3257","0.0009","16.3618","0.0012","92.217","0.007","90.992","0.007","115.549","0.01","919.95","0.17","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O8 -","- C20 H19 N3 O8 -","- C40 H38 N6 O16 -","2","1","","Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu","Lenalidomide‒Gallic Acid Cocrystals with Constant High Solubility","Crystal Growth & Design","2015","15","10","4869","","10.1021/acs.cgd.5b00699","","","1.54184","CuKα","","0.0705","0.0438","","","0.0942","0.1093","","","","","","1.015","","","","has coordinates","231273","2020-10-21","18:00:00",""
"4516375","13.3","0.003","13.112","0.007","10.808","0.005","90","","101.28","0.04","90","","1848.4","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cu2 N6 O12 -","- C25 H18 Cu2 N6 O12 -","- C50 H36 Cu4 N12 O24 -","2","0.5","","Hernández-Maldonado, Arturo J.; Arrieta-Pérez, Rodinson R.; Primera-Pedrozo, José N.; Exley, Jason","Structure of a Porous Cu2(pzdc)2(bpp) (pzdc: Pyrazine-2,3-dicarboxylate, bpp: 1,3-Bis(4-pyridyl)propane) Coordination Polymer and Flexibility upon Concomitant Hysteretic CO2Adsorption","Crystal Growth & Design","2015","15","8","4123","","10.1021/acs.cgd.5b00728","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.26184","","12.88","","","","","","","has coordinates","231274","2020-10-21","18:00:00",""
"4516376","9.971","0.004","11.704","0.005","12.074","0.005","94.864","0.007","99.788","0.006","113.324","0.006","1256.9","0.9","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 N10 Ni O4 S4 -","- C50 H36 N10 Ni O4 S4 -","- C50 H36 N10 Ni O4 S4 -","1","0.5","","Kishore, Ravada; Tripuramallu, Bharat Kumar; Das, Samar K.","Significant Role of Supramolecular Interactions on Conformational Modulation of Flexible Organic Cation Receptors in a Metal-Bis(dithiolate) Coordination Complex Matrix","Crystal Growth & Design","2015","15","9","4459","","10.1021/acs.cgd.5b00750","","","0.71073","MoKα","","0.1054","0.058","","","0.1343","0.1536","","","","","","0.954","","","","has coordinates","231275","2020-10-21","18:00:00",""
"4516377","5.5144","0.0003","9.452","0.0005","13.404","0.0005","74.239","0.004","84.747","0.004","81.205","0.004","663.55","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C20 H42 N2 O8 -","2","1","","Khan, Tariq; Tang, Yuanyuan; Sun, Zhihua; Zhang, Shuquan; Asghar, Muhammad Adnan; Chen, Tianliang; Zhao, Sangen; Luo, Junhua","Dibutylammonium Hydrogen Oxalate: An Above-Room-Temperature Order‒Disorder Phase Transition Molecular Material","Crystal Growth & Design","2015","15","11","5263","","10.1021/acs.cgd.5b00758","","","0.71073","MoKα","","0.0563","0.0433","","","0.1055","0.1141","","","","","","1.089","","","","has coordinates","231276","2020-10-21","18:00:00",""
"4516378","17.868","0.002","5.5508","0.0003","14.4018","0.001","90","","112.102","0.011","90","","1323.4","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C40 H84 N4 O16 -","4","1","","Khan, Tariq; Tang, Yuanyuan; Sun, Zhihua; Zhang, Shuquan; Asghar, Muhammad Adnan; Chen, Tianliang; Zhao, Sangen; Luo, Junhua","Dibutylammonium Hydrogen Oxalate: An Above-Room-Temperature Order‒Disorder Phase Transition Molecular Material","Crystal Growth & Design","2015","15","11","5263","","10.1021/acs.cgd.5b00758","","","0.71073","MoKα","","0.1213","0.0833","","","0.2563","0.3008","","","","","","1.022","","","","has coordinates,has disorder","231277","2020-10-21","18:00:00",""
"4516379","27.538","0.004","27.538","0.004","20.139","0.004","90","","90","","120","","13226","4","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C63 H84 Cu7 I4 N11 O23 -","- C42 H27 Cu7 I4 N4 O15 -","- C168 H108 Cu28 I16 N16 O60 -","4","0.333333","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.1389","0.0509","","","0.1276","0.1485","","","","","","0.94","","","","has coordinates","231278","2020-10-21","18:00:00",""
"4516380","19.209","0.003","19.209","0.003","10.991","0.002","90","","90","","90","","4055.5","1.2","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C46 H56 Cu8 I4 N10 O23 -","- C40 H12 Cu8 I4 N8 O20 -","- C80 H24 Cu16 I8 N16 O40 -","2","0.125","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.0292","0.0264","","","0.0776","0.079","","","","","","1.036","","","","has coordinates,has disorder","231279","2020-10-21","18:00:00",""
"4516381","28.1563","0.0007","28.1563","0.0007","19.1585","0.0007","90","","90","","120","","13153.6","0.7","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H21 Cu7 I4 N3 O18 -","- C39 H21 Cu7 I4 N3 O17.65 -","- C156 H84 Cu28 I16 N12 O70.6 -","4","0.333333","","Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties","Crystal Growth & Design","2015","15","10","4901","","10.1021/acs.cgd.5b00791","","","0.71073","MoKα","","0.0602","0.0439","","","0.1289","0.136","","","","","","1.01","","","","has coordinates,has disorder","231280","2020-10-21","18:00:00",""
"4516382","10.24","0.005","13.772","0.006","16.7","0.006","90","","127.046","0.019","90","","1879.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd N2 O10 -","- C15 H20 Cd N2 O10 -","- C60 H80 Cd4 N8 O40 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Fu, Zhihua; Su, Yanqing; Xu, Gang","Porous Cadmium(II) Anionic Metal‒Organic Frameworks Based on Aromatic Tricarboxylate Ligands: Encapsulation of Protonated Flexible Bis(2-methylimidazolyl) Ligands and Proton Conductivity","Crystal Growth & Design","2015","15","9","4543","","10.1021/acs.cgd.5b00799","","","0.71073","MoKα","","0.1161","0.098","","","0.1612","0.1692","","","","","","1.237","","","","has coordinates","231281","2020-10-21","18:00:00",""
"4516383","13.926","0.006","16.59","0.007","16.181","0.007","90","","110.296","0.007","90","","3506","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N2 O14.5 -","- C36 H25 Cd2 N2 O14.5 -","- C144 H100 Cd8 N8 O58 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Fu, Zhihua; Su, Yanqing; Xu, Gang","Porous Cadmium(II) Anionic Metal‒Organic Frameworks Based on Aromatic Tricarboxylate Ligands: Encapsulation of Protonated Flexible Bis(2-methylimidazolyl) Ligands and Proton Conductivity","Crystal Growth & Design","2015","15","9","4543","","10.1021/acs.cgd.5b00799","","","0.71073","MoKα","","0.0587","0.0407","","","0.0827","0.0906","","","","","","1.09","","","","has coordinates","231282","2020-10-21","18:00:00",""
"4516384","15.183","0.007","15.207","0.008","15.218","0.008","89.263","0.019","78.254","0.015","66.414","0.01","3143","3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","- C112 H132 Eu2 N12 O28 Sm4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0608","0.0575","","","0.148","0.1523","","","","","","1.035","","","","has coordinates","231283","2020-10-21","18:00:00",""
"4516385","15.1243","0.0005","15.1725","0.0006","15.1882","0.0007","78.901","0.004","66.852","0.004","89.556","0.003","3135.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","- C112 H132 Eu2 N12 O28 Tb4 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.1024","0.09","","","0.2248","0.2408","","","","","","1.043","","","","has coordinates","231284","2020-10-21","18:00:00",""
"4516386","15.246","0.004","15.252","0.004","15.28","0.004","66.002","0.005","89.09","0.007","78.068","0.007","3166.6","1.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","- C112 H132 Eu6 N12 O28 -","1","1","","Wei, Yongqin; Wang, Gaoji; Wu, Kechen","First Eu(II)/Ln(III) Mixed Complex with High Oxidative Stability","Crystal Growth & Design","2015","15","11","5288","","10.1021/acs.cgd.5b00804","","","0.71073","MoKα","","0.0698","0.0672","","","0.1672","0.1699","","","","","","1.048","","","","has coordinates","231285","2020-10-21","18:00:00",""
"4516387","22.1353","0.0003","13.7831","0.0002","8.7343","0.0001","90","","92.025","0.001","90","","2663.11","0.06","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 O9 Pb -","- C9 H14 O9 Pb -","- C72 H112 O72 Pb8 -","8","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","1.54178","CuKα","","0.0418","0.038","","","0.0831","0.0864","","","","","","1.072","","","","has coordinates","231286","2020-10-21","18:00:00",""
"4516388","24.67","0.0004","43.4593","0.0008","17.0949","0.0003","90","","97.165","0.001","90","","18185","0.5","180","2","180","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C336 H380.6 N48 O130.3 Pb12 -","- C336 H216 N48 O130.3 Pb12 -","- C672 H432 N96 O260.6 Pb24 -","2","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","1.54187","CuKα","","0.0569","0.0544","","","0.1352","0.138","","","","","","1.029","","","","has coordinates","231287","2020-10-21","18:00:00",""
"4516389","12.8713","0.0003","13.7355","0.0004","12.872","0.0004","90","0.001","105.091","0.001","90","0.001","2197.21","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O11 Pb -","- C20 H22 N2 O11 Pb -","- C80 H88 N8 O44 Pb4 -","4","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","0.71073","MoKα","","0.0299","0.0238","","","0.0432","0.0452","","","","","","1.08","","","","has coordinates","231288","2020-10-21","18:00:00",""
"4516390","7.952","0.0002","8.1662","0.0002","8.7137","0.0002","72.38","0.001","66.27","0.001","73.574","0.001","485.23","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H4 O8 Pb2 -","- C8 H4 O8 Pb2 -","- C16 H8 O16 Pb4 -","2","1","","Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios","Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands","Crystal Growth & Design","2015","15","11","5310","","10.1021/acs.cgd.5b00861","","","0.71073","MoKα","","0.0234","0.0217","","","0.0528","0.0537","","","","","","1.14","","","","has coordinates","231289","2020-10-21","18:00:00",""
"4516391","12.381","0.002","13.598","0.002","16.349","0.003","100.944","0.004","109.738","0.004","97.658","0.004","2484.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F3 N O3 -","- C32 H22 F3 N O3 -","- C128 H88 F12 N4 O12 -","4","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0564","0.0441","","","0.1082","0.1139","","","","","","1.068","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516392","14.6828","0.0013","9.638","0.0008","17.5477","0.0015","90","","100.688","0.002","90","","2440.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C128 H100 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.058","0.0412","","","0.0901","0.0972","","","","","","0.976","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516393","7.9995","0.0012","19.124","0.003","15.191","0.002","90","","90","","90","","2324","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H22 F N O3 -","- C31 H22 F N O3 -","- C124 H88 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0463","0.0435","","","0.111","0.1126","","","","","","1.08","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516394","14.53","0.002","9.5628","0.0015","17.641","0.003","90","","100.683","0.003","90","","2408.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O3 -","- C32 H25 N O3 -","- C128 H100 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0534","0.0409","","","0.1019","0.1079","","","","","","1.049","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516395","12.143","0.0009","7.6745","0.0005","17.9084","0.0013","90","","92.807","0.002","90","","1666.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0514","0.0441","","","0.1062","0.1105","","","","","","1.032","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516396","10.773","0.0014","7.7574","0.001","18.008","0.002","90","","95.4","0.003","90","","1498.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0432","0.0393","","","0.0954","0.0985","","","","","","1.033","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516397","11.0251","0.0016","11.979","0.0018","12.0044","0.0018","81.529","0.003","63.707","0.003","71.683","0.003","1349.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H22 Br Cl1.5 D0.5 N O3 -","- C31.4995 H22.4995 Br Cl1.4985 N O3 -","- C62.999 H44.999 Br2 Cl2.997 N2 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0574","0.0493","","","0.1173","0.122","","","","","","1.038","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516398","9.2013","0.0013","11.9564","0.0017","12.7583","0.0018","67.182","0.003","80.328","0.003","74.476","0.003","1243.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl2 N3 O3 -","- C29 H23 Cl2 N3 O3 -","- C58 H46 Cl4 N6 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0509","0.0439","","","0.1072","0.1118","","","","","","1.034","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516399","9.6779","0.0008","9.7233","0.0008","15.3703","0.0012","87.907","0.002","86.025","0.002","63.842","0.002","1295.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O5 -","- C33 H26 N2 O5 -","- C66 H52 N4 O10 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0658","0.0418","","","0.0881","0.0959","","","","","","0.958","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516400","29.9603","0.0012","29.9603","0.0012","14.0693","0.0011","90","","90","","120","","10936.9","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C468 H342 N18 O72 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0614","0.047","","","0.1287","0.1362","","","","","","1.011","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516401","9.4119","0.0019","12.09","0.002","12.896","0.003","64.551","0.003","81.025","0.003","76.83","0.003","1287.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.75 H22.75 Cl2.25 N2 O3 -","- C29.748 H22.748 Cl2.244 N2 O3 -","- C59.496 H45.496 Cl4.488 N4 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0729","0.0596","","","0.1601","0.1699","","","","","","1.014","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516402","10.5608","0.0008","6.4181","0.0005","19.8406","0.0014","90","","90.419","0.002","90","","1344.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0567","0.0455","","","0.1158","0.1217","","","","","","1.064","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516403","11.924","0.002","14.177","0.003","16.742","0.003","90","","90","","90","","2830.2","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 F N O3 -","- C40 H26 F N O3 -","- C160 H104 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0386","0.033","","","0.0747","0.0766","","","","","","1.028","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516404","17.7048","0.0017","15.0244","0.0015","14.9507","0.0014","90","","113.124","0.003","90","","3657.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.054","0.0394","","","0.092","0.0978","","","","","","1.043","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516405","27.901","0.005","13.66","0.002","12.465","0.002","90","","110.734","0.003","90","","4443.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C224 H168 N24 O24 -","8","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0624","0.0462","","","0.1061","0.1128","","","","","","1.025","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516406","10.3368","0.001","11.1632","0.0011","12.0626","0.0011","115.035","0.002","98.76","0.002","94.132","0.002","1231.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33.5 H27 N O3 -","- C33.5 H27 N O3 -","- C67 H54 N2 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0565","0.047","","","0.1208","0.1272","","","","","","1.033","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516407","9.8055","0.001","13.4551","0.0013","15.5005","0.0015","67.404","0.002","88.581","0.002","83.35","0.002","1874.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H23 Cl9 D3 N O4 -","- C37 H23 Cl9 D3 N O4 -","- C74 H46 Cl18 D6 N2 O8 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0649","0.0551","","","0.1463","0.1527","","","","","","1.04","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516408","36.166","0.002","36.166","0.002","9.4155","0.0011","90","","90","","120","","10665.3","1.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C594 H414 N18 O36 -","18","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.1057","0.0434","","","0.0587","0.0695","","","","","","0.794","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516409","9.1631","0.0004","11.6035","0.0005","14.0377","0.0007","97.493","0.002","90.267","0.002","112.057","0.001","1369.16","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H26 N2 O3 -","- C39 H26 N2 O3 -","- C78 H52 N4 O6 -","2","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","x-ray","0.71073","MoKα","","0.0455","0.0383","","","0.0947","0.0991","","","","","","1.022","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516410","21.161","0.002","17.4083","0.0016","16.53","0.0015","90","","111.823","0.002","90","","5652.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 N2 O3 -","- C41 H26 N2 O3 -","- C328 H208 N16 O24 -","8","2","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.067","0.0541","","","0.126","0.133","","","","","","1.062","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516411","7.9417","0.0005","18.8238","0.0011","15.5691","0.0009","90","","90","","90","","2327.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0774","0.0782","","","","","","1.062","","","","has coordinates,has disorder","231291","2020-10-21","18:00:00",""
"4516412","20.0486","0.0004","20.0486","0.0004","71.773","0.0017","90","","90","","120","","24983.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H296 Cu20 In32 N64 S78 -","- C54 Cu20 In32 N36 S78 -","- C162 Cu60 In96 N108 S234 -","3","0.166667","","Zhao, Xiao-Wei; Qian, Li-Wen; Su, Hu-Chao; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie","Co-assembled T4-Cu4In16S35 and Cubic Cu12S8 Clusters: A Crystal Precursor for Near-Infrared Absorption Material","Crystal Growth & Design","2015","15","12","5749","","10.1021/acs.cgd.5b00960","","","0.71073","MoKα","","0.1148","0.0751","","","0.1604","0.1754","","","","","","1.091","","","","has coordinates","231292","2020-10-21","18:00:00",""
"4516413","13.4195","0.0009","13.5573","0.0008","16.1853","0.0008","90","","109.174","0.002","90","","2781.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Cl2 Hg N3 O2 -","- C23 H39 Cl2 Hg N3 O2 -","- C92 H156 Cl8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0535","0.0362","","","0.0801","0.0872","","","","","","1.005","","","","has coordinates","231293","2020-10-21","18:00:00",""
"4516414","16.5303","0.0014","11.5036","0.0007","14.1773","0.0011","90","","100.657","0.003","90","","2649.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Hg2 I4 N6 O4 -","- C38 H62 Hg2 I4 N6 O4 -","- C76 H124 Hg4 I8 N12 O8 -","2","0.5","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.061","0.0366","","","0.0879","0.0996","","","","","","1.01","","","","has coordinates","231294","2020-10-21","18:00:00",""
"4516415","33.187","0.008","8.2084","0.0018","23.606","0.006","90","","113.992","0.012","90","","5875","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Hg2 I4 N6 O4 -","- C46 H78 Hg2 I4 N6 O4 -","- C184 H312 Hg8 I16 N24 O16 -","4","0.5","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0657","0.0428","","","0.1007","0.1084","","","","","","1.093","","","","has coordinates","231295","2020-10-21","18:00:00",""
"4516416","13.321","0.002","13.535","0.002","16.036","0.003","90","","109.171","0.009","90","","2730.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Br2 Hg N3 O2 -","- C23 H39 Br2 Hg N3 O2 -","- C92 H156 Br8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0557","0.0485","","","0.1224","0.1261","","","","","","1.057","","","","has coordinates","231296","2020-10-21","18:00:00",""
"4516417","14.552","0.0008","7.715","0.0019","36.234","0.005","90","","90","","90","","4067.9","1.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H31 N3 O2 -","- C19 H31 N3 O2 -","- C152 H248 N24 O16 -","8","2","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.1418","0.0981","","","0.2579","0.2879","","","","","","1.022","","","","has coordinates","231297","2020-10-21","18:00:00",""
"4516418","7.243","0.0008","11.3025","0.0012","17.7426","0.0018","80.61","0.004","83.799","0.002","73.323","0.004","1369.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl4 Hg2 N3 O2 -","- C19 H31 Cl4 Hg2 N3 O2 -","- C38 H62 Cl8 Hg4 N6 O4 -","2","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0701","0.0541","","","0.147","0.1564","","","","","","1.265","","","","has coordinates","231298","2020-10-21","18:00:00",""
"4516419","15.681","0.004","10.788","0.003","14.561","0.004","90","","99.877","0.007","90","","2426.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Br2 Hg N3 O2 -","- C19 H31 Br2 Hg N3 O2 -","- C76 H124 Br8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0509","0.0347","","","0.0662","0.0702","","","","","","0.95","","","","has coordinates","231299","2020-10-21","18:00:00",""
"4516420","12.399","0.004","12.399","0.004","51.391","0.015","90","","90","","120","","6842","4","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H10 N0 O10 Zn2 -","- C23 H10 O10 Zn2 -","- C138 H60 O60 Zn12 -","6","1","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.0994","0.0695","","","0.1737","0.191","","","","","","0.606","","","","has coordinates","231300","2020-10-21","18:00:00",""
"4516421","29.524","0.014","11.342","0.005","23.007","0.011","90","","90","","90","","7704","6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C53 H35 Cd4 N3 O24 -","- C53 H35 Cd4 N3 O24 -","- C212 H140 Cd16 N12 O96 -","4","0.5","","Li, Jiang; Yang, Guo-Ping; Wei, Shi-Long; Gao, Rui-Cheng; Bai, Nan-Nan; Wang, Yao-Yu","Two Microporous Metal‒Organic Frameworks with Suitable Pore Size Displaying the High CO2/CH4 Selectivity","Crystal Growth & Design","2015","15","11","5382","","10.1021/acs.cgd.5b00997","","","0.71073","MoKα","","0.1102","0.057","","","0.1555","0.1748","","","","","","0.895","","","","has coordinates,has disorder","231300","2020-10-21","18:00:00",""
"4516422","10.2865","0.0002","11.2102","0.0003","14.1646","0.0003","110.297","0.001","91.049","0.001","97.396","0.001","1515.72","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen'","","- C40 H26 O2 S4 -","- C40 H26 O2 S4 -","- C80 H52 O4 S8 -","2","1","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0382","0.0328","","","0.0868","0.0896","","","","","","1.062","","","","has coordinates","231301","2020-10-21","18:00:00",""
"4516423","8.3313","0.0002","10.0446","0.0003","12.0894","0.0003","68.703","0.002","76.808","0.002","87.818","0.002","916.61","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 O4 S4 -","- C44 H38 O4 S4 -","- C44 H38 O4 S4 -","1","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0467","0.0378","","","0.0821","0.0852","","","","","","1.088","","","","has coordinates,has disorder","231302","2020-10-21","18:00:00",""
"4516424","10.3085","0.0004","8.6898","0.0003","23.6723","0.001","90","","99.378","0.002","90","","2092.19","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol pyrrolidine disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0547","0.0466","","","0.1322","0.1366","","","","","","1.053","","","","has coordinates","231303","2020-10-21","18:00:00",""
"4516425","10.0685","0.0003","8.4189","0.0003","23.9505","0.0008","90","","98.982","0.001","90","","2005.29","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol acetone disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0776","0.074","","","0.1887","0.1904","","","","","","1.085","","","","has coordinates","231304","2020-10-21","18:00:00",""
"4516426","12.2921","0.0003","6.4611","0.0001","25.126","0.0006","90","","96.924","0.001","90","","1980.97","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen dimethyl formamide disolvate'","","- C46 H40 N2 O4 S4 -","- C46 H40 N2 O4 S4 -","- C92 H80 N4 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0411","0.0325","","","0.086","0.0897","","","","","","1.061","","","","has coordinates","231305","2020-10-21","18:00:00",""
"4516427","10.1001","0.0003","8.4594","0.0002","23.9058","0.0006","90","","98.695","0.001","90","","2019.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol dimethyl sulfoxide disolvate'","","- C36 H22 O2 S4 -","- C36 H22 O2 S4 -","- C72 H44 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0399","0.0376","","","0.0959","0.097","","","","","","1.048","","","","has coordinates,has disorder","231306","2020-10-21","18:00:00",""
"4516428","13.8602","0.0004","13.4898","0.0004","20.883","0.0005","90","","102.707","0.001","90","","3808.89","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol dimethyl formamide disolvate'","","- C42 H36 N2 O4 S4 -","- C42 H36 N2 O4 S4 -","- C168 H144 N8 O16 S16 -","4","1","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0523","0.0437","","","0.108","0.113","","","","","","1.084","","","","has coordinates","231307","2020-10-21","18:00:00",""
"4516429","12.3347","0.0005","8.9162","0.0003","18.2149","0.0007","90","","92.373","0.002","90","","2001.53","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen 1,4-dioxane disolvate'","","- C48 H42 O6 S4 -","- C48 H42 O6 S4 -","- C96 H84 O12 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0667","0.0469","","","0.1179","0.1261","","","","","","1.077","","","","has coordinates,has disorder","231308","2020-10-21","18:00:00",""
"4516430","12.5432","0.0006","6.0919","0.0002","25.1916","0.0011","90","","103.126","0.002","90","","1874.65","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'1,1,4,4-Tetra(benzo[b]thien-2-yl)but-2-yne-1,4-diol n-butanol disolvate'","","- C44 H42 O4 S4 -","- C44 H42 O4 S4 -","- C88 H84 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0574","0.0385","","","0.0899","0.0959","","","","","","1.056","","","","has coordinates,has disorder","231309","2020-10-21","18:00:00",""
"4516431","9.8871","0.0003","10.0446","0.0003","12.0267","0.0003","72.707","0.001","85.37","0.001","64.566","0.001","1028.35","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen pyrrolidine disolvate'","","- C48 H44 N2 O2 S4 -","- C48 H44 N2 O2 S4 -","- C48 H44 N2 O2 S4 -","1","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0408","0.0379","","","0.0982","0.1","","","","","","1.043","","","","has coordinates,has disorder","231310","2020-10-21","18:00:00",""
"4516432","10.5048","0.0005","9.6623","0.0004","20.7737","0.0008","90","","100.769","0.002","90","","2071.41","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen diethylamine disolvate'","","- C48 H48 N2 O2 S4 -","- C48 H48 N2 O2 S4 -","- C96 H96 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0849","0.047","","","0.0962","0.1086","","","","","","1.015","","","","has coordinates,has disorder","231311","2020-10-21","18:00:00",""
"4516433","10.8926","0.0002","9.8674","0.0002","17.8703","0.0004","90","","93.377","0.001","90","","1917.39","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1,4-Bis[di(benzo[b]thien-2-yl)hydroxymethyl]benzen acetone disolvate'","","- C46 H38 O4 S4 -","- C46 H38 O4 S4 -","- C92 H76 O8 S8 -","2","0.5","","Katzsch, Felix; Gruber, Tobias; Weber, Edwin","Crystalline Inclusion of Wheel-and-Axle Diol Hosts Featuring Benzo[b]thiophene Units as a Lateral Construction Element","Crystal Growth & Design","2015","15","10","5047","","10.1021/acs.cgd.5b01034","","","0.71073","MoKα","","0.0613","0.0564","","","0.1358","0.139","","","","","","1.059","","","","has coordinates,has disorder","231312","2020-10-21","18:00:00",""
"4516434","9.4309","0.0006","10.9803","0.0007","19.8098","0.0012","88.367","0.001","89.747","0.001","83.393","0.001","2036.9","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br8 Co Cu5 N6 -","- C30 H24 Br8 Co Cu5 N6 -","- C60 H48 Br16 Co2 Cu10 N12 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.077","0.0423","","","0.1275","0.1423","","","","","","1.046","","","","has coordinates","231313","2020-10-21","18:00:00",""
"4516435","13.766","0.002","28.086","0.005","15.412","0.003","90","","90","","90","","5958.8","1.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu7 I11 N8 Ru2 -","- C40 H32 Cu7 I11 N8 Ru2 -","- C160 H128 Cu28 I44 N32 Ru8 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.066","0.0608","","","0.1804","0.1858","","","","","","1.092","","","","has coordinates","231314","2020-10-21","18:00:00",""
"4516436","26.4739","0.0012","14.9139","0.0007","14.1172","0.0007","90","","99.82","0.001","90","","5492.2","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cu9 I12 N6 -","- C32 H30 Cu9 I12 N6 -","- C128 H120 Cu36 I48 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0438","0.032","","","0.0777","0.0829","","","","","","1.004","","","","has coordinates","231315","2020-10-21","18:00:00",""
"4516437","13.5177","0.0012","13.8827","0.0013","23.867","0.002","90","","90","","90","","4478.9","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Co Cu5 I7 N6 -","- C30 H24 Co Cu5 I7 N6 -","- C120 H96 Co4 Cu20 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0567","0.0505","","","0.1464","0.1503","","","","","","1.138","","","","has coordinates","231316","2020-10-21","18:00:00",""
"4516438","13.4901","0.0012","13.8822","0.0012","23.859","0.002","90","","90","","90","","4468.1","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 I7 N6 Ni -","- C30 H24 Cu5 I7 N6 Ni -","- C120 H96 Cu20 I28 N24 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0467","0.0413","","","0.115","0.1184","","","","","","1.116","","","","has coordinates","231317","2020-10-21","18:00:00",""
"4516439","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","296","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0519","0.0423","","","0.1126","0.1198","","","","","","1.05","","","","has coordinates","231318","2020-10-21","18:00:00",""
"4516440","14.2597","0.0007","14.2597","0.0007","31.7534","0.0016","90","","90","","120","","5591.7","0.5","296","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Cu6 I11 K Mn2 N12 -","- C60 H48 Cu6 I11 K0.999 Mn2 N12 -","- C180 H144 Cu18 I33 K2.997 Mn6 N36 -","3","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0405","0.0371","","","0.0933","0.0958","","","","","","1.028","","","","has coordinates","231319","2020-10-21","18:00:00",""
"4516441","13.699","0.0009","28.1382","0.0018","15.4525","0.001","90","","90","","90","","5956.4","0.7","293","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Cu9 I11 N8 -","- C40 H32 Cu9 I11 N8 -","- C160 H128 Cu36 I44 N32 -","4","0.5","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.052","0.0424","","","0.113","0.1201","","","","","","1.053","","","","has coordinates","231320","2020-10-21","18:00:00",""
"4516442","13.4104","0.0009","13.792","0.001","23.7344","0.0016","90","","90","","90","","4389.8","0.5","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 Fe I7 N6 -","- C30 H24 Cu5 Fe I7 N6 -","- C120 H96 Cu20 Fe4 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0534","0.0456","","","0.1319","0.1376","","","","","","1.037","","","","has coordinates","231321","2020-10-21","18:00:00",""
"4516443","5.3064","0.0012","9.9344","0.0016","14.382","0.002","92.733","0.013","99.956","0.016","93.509","0.016","744","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H22 N4 O4 S -","- C11 H22 N4 O4 S -","- C22 H44 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.2396","0.0655","","","0.1026","0.1405","","","","","","1.016","","","","has coordinates","231322","2020-10-21","18:00:00",""
"4516444","13.129","0.002","5.1895","0.0008","11.809","0.002","90","","108.34","0.01","90","","763.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 N8 O4 S2 -","- C8 H18 N8 O4 S2 -","- C16 H36 N16 O8 S4 -","2","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.086","0.0361","","","0.0586","0.0723","","","","","","1","","","","has coordinates","231323","2020-10-21","18:00:00",""
"4516445","5.413","0.0011","10.624","0.002","12.271","0.003","69.95","0.03","84.72","0.03","85.73","0.03","659.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N4 O4 S -","- C9 H18 N4 O4 S -","- C18 H36 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1049","0.048","","","0.0935","0.1111","","","","","","1.051","","","","has coordinates","231324","2020-10-21","18:00:00",""
"4516446","14.115","0.002","4.888","0.001","14.301","0.002","90","","95.54","0.01","90","","982.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N8 O6 S2 -","- C10 H26 N8 O6 S2 -","- C20 H52 N16 O12 S4 -","2","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.145","0.0459","","","0.0729","0.0967","","","","","","1.002","","","","has coordinates","231325","2020-10-21","18:00:00",""
"4516447","4.0633","0.0004","11.8739","0.0013","15.4615","0.0015","69.99","0.01","86.541","0.008","89.414","0.008","699.62","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O4 S -","- C10 H20 N4 O4 S -","- C20 H40 N8 O8 S2 -","2","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.2006","0.0677","","","0.1003","0.1382","","","","","","1.004","","","","has coordinates","231326","2020-10-21","18:00:00",""
"4516448","26.1189","0.0012","4.0778","0.0002","15.4735","0.0007","90","","119.509","0.004","90","","1434.26","0.13","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H16 N8 O4 S2 -","- C7 H16 N8 O4 S2 -","- C28 H64 N32 O16 S8 -","4","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1148","0.0431","","","0.0625","0.0803","","","","","","1","","","","has coordinates","231327","2020-10-21","18:00:00",""
"4516449","10.381","0.002","16.044","0.003","14.255","0.003","90","","108.6","0.03","90","","2250.2","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N8 O8 S2 -","- C14 H28 N8 O8 S2 -","- C56 H112 N32 O32 S8 -","4","1","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.1614","0.0432","","","0.0365","0.0448","","","","","","1","","","","has coordinates","231328","2020-10-21","18:00:00",""
"4516450","22.814","0.001","9.1161","0.0004","10.6126","0.0004","90","","107.504","0.004","90","","2104.95","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 N8 O4 S2 -","- C14 H30 N8 O4 S2 -","- C56 H120 N32 O16 S8 -","4","0.5","","Janczak, Jan","Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids","Crystal Growth & Design","2015","15","10","5097","","10.1021/acs.cgd.5b01049","","","0.71073","MoKα","","0.0768","0.0352","","","0.0715","0.0945","","","","","","1.001","","","","has coordinates","231329","2020-10-21","18:00:00",""
"4516451","12.2259","0.0005","23.8611","0.0011","4.647","0.0002","90","","90","","90","","1355.64","0.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0531","0.0406","","","0.0859","0.0914","","","","","","1.026","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516452","7.2575","0.0003","8.1541","0.0003","16.1939","0.0006","103.278","0.002","90.896","0.002","114.302","0.002","843.48","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 Ag Cl N2 O4 S -","- C16 H12 Ag Cl N2 O4 S -","- C32 H24 Ag2 Cl2 N4 O8 S2 -","2","1","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0267","0.0243","","","0.0598","0.0608","","","","","","1.052","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516453","23.266","0.0006","8.018","0.0002","15.588","0.0005","90","","130.161","0.002","90","","2222.31","0.13","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag2 F6 N2 O4 S -","- C20 H12 Ag2 F6 N2 O4 S -","- C80 H48 Ag8 F24 N8 O16 S4 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0193","0.0176","","","0.0459","0.0466","","","","","","1.065","","","","has coordinates,has disorder","231330","2020-10-21","18:00:00",""
"4516454","20.9049","0.0004","14.6808","0.0003","14.2515","0.0003","90","","108.043","0.001","90","","4158.71","0.15","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C68 H56 Ag3 Cl8 F18 N8 P3 S4 -","- C68 H56 Ag3 Cl8 F18 N8 P3 S4 -","- C136 H112 Ag6 Cl16 F36 N16 P6 S8 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.0587","0.0394","","","0.0903","0.1012","","","","","","1.017","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516455","9.8559","0.0002","14.1444","0.0004","16.2582","0.0005","90","","94.878","0.002","90","","2258.28","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu2 Hg I4 N2 S -","- C16 H12 Cu2 Hg I4 N2 S -","- C64 H48 Cu8 Hg4 I16 N8 S4 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, Ki-Min; Lee, Shim Sung","Anion-Directed Coordination Networks of a Flexible S-Pivot Ligand and Anion Exchange in the Solid State","Crystal Growth & Design","2015","15","11","5427","","10.1021/acs.cgd.5b01050","","","0.71073","MoKα","","0.033","0.0275","","","0.0589","0.0614","","","","","","1.038","","","","has coordinates","231330","2020-10-21","18:00:00",""
"4516456","15.186","0.003","20.183","0.003","21.725","0.004","90","","102.707","0.003","90","","6496","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Cr2 O14 Sn4 -","- C54 H88 Cr2 O14 Sn4 -","- C216 H352 Cr8 O56 Sn16 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.1191","0.0778","","","0.1695","0.192","","","","","","1.042","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516457","11.267","0.005","11.793","0.005","11.808","0.005","98.599","0.005","108.484","0.005","93.685","0.005","1460.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cr2 O10 Sn -","- C28 H28 Cr2 O10 Sn -","- C56 H56 Cr4 O20 Sn2 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.0956","0.0644","","","0.1476","0.1663","","","","","","0.981","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516458","11.415","0.005","12.17","0.005","15.433","0.005","89.68","0.005","73.644","0.005","89.977","0.005","2057.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cr2 O12 Sn2 -","- C36 H48 Cr2 O12 Sn2 -","- C72 H96 Cr4 O24 Sn4 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.1018","0.0917","","","0.1987","0.205","","","","","","1.19","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516459","9.9186","0.0014","10.343","0.002","12.9428","0.0018","107.696","0.003","91.561","0.003","118.564","0.002","1087.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cr O7 Sn2 -","- C17 H22 Cr O7 Sn2 -","- C34 H44 Cr2 O14 Sn4 -","2","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0522","0.0486","","","0.1202","0.1219","","","","","","1.186","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516460","18.317","0.007","10.15","0.004","25.277","0.013","90","","110.942","0.011","90","","4389","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cr O7 Sn2 -","- C17 H22 Cr O7 Sn2 -","- C136 H176 Cr8 O56 Sn16 -","8","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.1034","0.0673","","","0.164","0.1853","","","","","","1.047","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516461","13.856","0.001","10.3151","0.0008","20.5239","0.0015","90","","96.626","0.001","90","","2913.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cr N2 O7 Sn2 -","- C27 H30 Cr N2 O7 Sn2 -","- C108 H120 Cr4 N8 O28 Sn8 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0231","0.0203","","","0.0478","0.0489","","","","","","1.082","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516462","13.193","0.005","18.567","0.005","18.021","0.005","90","","93.435","0.005","90","","4406","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cr O9 Sn2 -","- C48 H40 Cr O9 Sn2 -","- C192 H160 Cr4 O36 Sn8 -","4","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0385","0.0274","","","0.0595","0.0633","","","","","","1.038","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516463","9.836","0.005","10.743","0.005","14.063","0.005","109.941","0.005","100.146","0.005","96.279","0.005","1351.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn4 O22 Sn4 -","- C44 H40 Mn4 O22 Sn4 -","- C44 H40 Mn4 O22 Sn4 -","1","0.5","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.0267","0.0224","","","0.0525","0.054","","","","","","1.091","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516464","7.073","0.005","10.244","0.005","16.376","0.005","98.435","0.005","91.365","0.005","93.543","0.005","1170.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Mn2 O16 Sn4 -","- C34 H46 Mn2 O16 Sn4 -","- C34 H46 Mn2 O16 Sn4 -","1","0.5","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71069","MoKα","","0.0484","0.0293","","","0.0613","0.0676","","","","","","1.038","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516465","19.1276","0.0008","20.9557","0.0009","35.3447","0.0016","90","","90","","90","","14167.3","1.1","100","2","100","","","","","","","","","3","I m m m","-I 2 2","71","","","","- N20 O172 U32.71 -","- N20 O172 U32.705 -","- N40 O344 U65.41 -","2","0.125","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1275","0.0782","","","0.2145","0.2468","","","","","","1.037","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516466","26.2761","0.0008","20.471","0.0006","29.2307","0.0009","90","","101.039","0.002","90","","15432.2","0.8","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- N42 O222 U44.53 -","- N42 O222 U44.534 -","- N84 O444 U89.068 -","2","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1027","0.0646","","","0.1805","0.2346","","","","","","1.146","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516467","27.9494","0.0011","19.9702","0.0008","10.7251","0.0004","90","","98.271","0.001","90","","5924","0.4","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C10 N10 O48 U5 -","- C10 N10 O48 U5 -","- C40 N40 O192 U20 -","4","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0286","0.0242","","","0.0687","0.0709","","","","","","1.074","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516468","32.8783","0.0006","46.6442","0.0009","54.0834","0.001","90","","90","","90","","82941","3","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C60 N152 O360 U60 -","- C60 N152 O360 U60 -","- C240 N608 O1440 U240 -","4","0.125","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1526","0.0727","","","0.1967","0.2481","","","","","","1.078","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516469","30.761","0.004","22.674","0.003","20.944","0.003","90","","122.231","0.003","90","","12357","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 N11.27 O41.9 U5 -","- C10 N11.272 O41.896 U5 -","- C80 N90.176 O335.168 U40 -","8","1","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0558","0.0364","","","0.1122","0.1255","","","","","","1.148","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516470","20.5052","0.0013","20.5052","0.0013","24.701","0.0016","90","","90","","90","","10385.9","1.1","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- N26 O148 U28.25 -","- N26 O148 U28.248 -","- N52 O296 U56.496 -","2","0.25","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.057","0.0457","","","0.1181","0.1254","","","","","","1.065","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516471","8.0403","0.0011","13.565","0.002","14.163","0.002","109.825","0.007","105.333","0.007","102.263","0.007","1321.5","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 N6 O24 U2 -","- C8 N6 O24 U2 -","- C16 N12 O48 U4 -","2","1","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0439","0.0279","","","0.0648","0.0707","","","","","","1.039","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516472","13.9505","0.0008","17.0655","0.0009","19.0417","0.0011","90","","90","","90","","4533.3","0.4","296","2","296.15","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C8 N9 O37 U5 -","- C8 N9 O37 U5 -","- C32 N36 O148 U20 -","4","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1051","0.0653","","","0.1458","0.1603","","","","","","1.149","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516473","5.0179","0.0001","28.8971","0.0006","12.9362","0.0003","90","","98.757","0.002","90","","1853.92","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-di(2-phenyl-1H-imidazol-4-yl)benzene","","- C24 H18 N4 -","- C24 H18 N4 -","- C96 H72 N16 -","4","1","","Latosińska, Jolanta Natalia; Latosińska, Magdalena; Maurin, Jan Krzysztof; Kazimierczuk, Zygmunt","Impact of Aromatic Ring Count on the Ability to Participate in Attractive Interactions. Crystal Structure (X-ray) and Solid State Computational (DFT/QTAIM/RDS/Hirshfeld-surfaces) Study of 1,4-di(2-phenyl-1H-imidazol-4-yl)benzene. A Potential Nanotechnology Intrinsic Component","Crystal Growth & Design","2015","15","11","5464","","10.1021/acs.cgd.5b01104","","","1.54178","CuKα","","0.0867","0.0642","","","0.1912","0.2063","","","","","","1.048","","","","has coordinates","231333","2020-10-21","18:00:00",""
"4516474","18.997","0.004","24.852","0.006","27.646","0.006","90","","104.45","0.01","90","","12639","5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]- [tetrakis{mu-(thymine-1-acetato-KO:KO´)}aqua(dimethylformamide)dicopper(II)] (1/1)-unknown solvate","","- C65 H79 Cu4 N19 O36 -","- C65 H79 Cu4 N19 O36 -","- C260 H316 Cu16 N76 O144 -","4","1","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.1142","0.077","","","0.2187","0.2365","","","","","","0.966","","","","has coordinates","231334","2020-10-21","18:00:00",""
"4516475","13.4524","0.0004","11.3654","0.0003","16.6721","0.0004","90","","94.674","0.002","90","","2540.55","0.12","293","2","296","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]-dimethylformamide (1/2)","","- C40 H44 Cu2 N12 O20 -","- C40 H44 Cu2 N12 O20 -","- C80 H88 Cu4 N24 O40 -","2","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0568","0.0498","","","0.1517","0.1589","","","","","","1.058","","","","has coordinates","231334","2020-10-21","18:00:00",""
"4516476","9.4516","0.0009","13.4558","0.0012","14.2802","0.0011","64.204","0.003","89.82","0.003","79.094","0.003","1599.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/6)","","- C44 H76 Cu2 N8 O24 S8 -","- C44 H40 Cu2 N8 O24 S8 -","- C44 H40 Cu2 N8 O24 S8 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.1104","0.0779","","","0.2049","0.228","","","","","","1.049","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516477","11.199","0.0003","15.5475","0.0005","15.6884","0.0005","80.724","0.002","74.622","0.001","71.103","0.002","2483.35","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylacetamide)dicopper(II)]-dimethylacetamide (1/1)","","- C40 H55 Cu2 N11 O19 -","- C40 H46 Cu2 N11 O19 -","- C80 H92 Cu4 N22 O38 -","2","1","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0626","0.0475","","","0.1359","0.1562","","","","","","1.145","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516478","9.3071","0.0002","10.7239","0.0002","11.2475","0.0002","81.814","0.001","65.581","0.001","83.654","0.001","1010.1","0.03","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[bis{mu-(thymine-1-acetato-KO:KO´)}bis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylformamide)dicopper(II)]","","- C32 H38 Cu2 N10 O18 -","- C32 H38 Cu2 N10 O18 -","- C32 H38 Cu2 N10 O18 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.054","0.0479","","","0.1413","0.1474","","","","","","1.129","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516479","9.4621","0.0005","11.1133","0.0004","12.304","0.0005","65.178","0.002","78.605","0.002","89.604","0.002","1146.94","0.09","296","2","296","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","[tetrakis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/2)","","- C32 H44 Cu2 N8 O20 S4 -","- C32 H44 Cu2 N8 O20 S4 -","- C32 H44 Cu2 N8 O20 S4 -","1","0.5","","Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar","Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases","Crystal Growth & Design","2015","15","11","5485","","10.1021/acs.cgd.5b01110","","","0.71073","MoKα","","0.0825","0.0557","","","0.1555","0.1881","","","","","","1.122","","","","has coordinates,has disorder","231334","2020-10-21","18:00:00",""
"4516480","11.6891","0.0013","6.1604","0.0007","8.8738","0.0012","90","","106.424","0.006","90","","612.92","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.1098","0.1094","","0.1365","0.1365","","","","10.38","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516481","11.1238","0.0005","6.1919","0.0003","8.9149","0.0005","90","","100.563","0.004","90","","603.63","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H13 N2 O4 -","- C12 H13 N2 O4 -","- C24 H26 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","x-ray","1.5418","CuKα","","0.0983","0.0973","","0.1045","0.1044","","","","4.42","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516482","11.6892","0.0013","6.1603","0.0007","8.8732","0.0012","90","","106.419","0.006","90","","612.89","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-D-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0872","0.0871","","","0.1095","0.1095","","","11.55","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516483","11.1237","0.0005","6.1915","0.0003","8.9145","0.0005","90","","100.561","0.004","90","","603.56","0.05","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cyclo(L-Tyrosine-L-Alanine) hydrate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C24 H32 N4 O8 -","2","1","","Jeziorna, Agata; Stopczyk, Karolina; Skorupska, Ewa; Luberda-Durnas, Katarzyna; Oszajca, Marcin; Lasocha, Wiesław; Górecki, Marcin; Frelek, Jadwiga; Potrzebowski, Marek J.","Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies","Crystal Growth & Design","2015","15","10","5138","","10.1021/acs.cgd.5b01121","powder diffraction","","1.5418","CuKα","","0.0645","0.0643","","","0.0865","0.0865","","","6.29","","","","","","","has coordinates","231335","2020-10-21","18:00:00",""
"4516484","12.1116","0.0018","11.2257","0.0015","14.8557","0.0018","90","","94.573","0.005","90","","2013.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.1173","0.0517","","","0.104","0.1278","","","","","","0.992","","","","has coordinates","231336","2020-10-21","18:00:00",""
"4516485","10.9669","0.0005","11.6578","0.0006","15.8105","0.0008","90.949","0.002","106.494","0.001","94.68","0.002","1930.06","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","2","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.0581","0.04","","","0.0979","0.1092","","","","","","1.022","","","","has coordinates","231337","2020-10-21","18:00:00",""
"4516486","27.545","0.002","12.0217","0.001","13.7703","0.001","90","","118.646","0.004","90","","4001.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C168 H136 N24 O32 S8 -","8","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.1344","0.0578","","","0.1065","0.132","","","","","","1.024","","","","has coordinates","231338","2020-10-21","18:00:00",""
"4516487","7.4491","0.0006","14.2402","0.0011","18.3131","0.0016","87.191","0.006","84.895","0.005","77.08","0.005","1885.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C84 H68 N12 O16 S4 -","4","2","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.153","0.0564","","","0.1033","0.1313","","","","","","0.988","","","","has coordinates","231339","2020-10-21","18:00:00",""
"4516488","8.3554","0.0007","10.0022","0.0008","12.7955","0.001","67.259","0.004","80.749","0.004","86.833","0.004","973.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-[(E)-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}iminio)methyl] naphthalen-2-olate","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C42 H34 N6 O8 S2 -","2","1","","Tahir, Muhammad Nawaz; Shafiq, Zahid; Shad, Hazoor Ahmad; Zia-ur-Rehman,; Karim, Abdul; Naseer, Muhammad Moazzam","Polymorphism in a Sulfamethoxazole Derivative: Coexistence of Five Polymorphs in Methanol at Room Temperature","Crystal Growth & Design","2015","15","10","4750","","10.1021/acs.cgd.5b01126","","","0.71073","MoKα","","0.0891","0.047","","","0.1138","0.1336","","","","","","1.021","","","","has coordinates","231340","2020-10-21","18:00:00",""
"4516489","10.5579","0.001","9.5156","0.0009","19.3079","0.0019","90","","93.088","0.001","90","","1936.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(coronene)2F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Yoshida, Yukihiro; Kumagai, Yoshihide; Mizuno, Motohiro; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Saito, Gunzi","Improved Dynamic Properties of Charge-Transfer-Type Supramolecular Rotor Composed of Coronene and F4TCNQ","Crystal Growth & Design","2015","15","11","5513","","10.1021/acs.cgd.5b01138","","","0.71073","MoKα","","0.0469","0.0366","","","0.0908","0.0958","","","","","","1.09","","","","has coordinates","231341","2020-10-21","18:00:00",""
"4516490","14.8175","0.0015","25.123","0.002","16.457","0.002","90","","112.148","0.005","90","","5674.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 N2 O5 Zn -","- C25 H16 N2 O5 Zn -","- C200 H128 N16 O40 Zn8 -","8","1","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Makhloufi, Gamall; Janiak, Christoph","Effects of Extending the π-Electron System of Pillaring Linkers on Fluorescence Sensing of Aromatic Compounds in Two Isoreticular Metal‒Organic Frameworks","Crystal Growth & Design","2015","15","11","5543","","10.1021/acs.cgd.5b01175","","","0.71073","MoKα","","0.0438","0.0307","","","0.0724","0.0761","","","","","","1.064","","","","has coordinates","231342","2020-10-21","18:00:00",""
"4516491","12.2042","0.0002","13.5361","0.0003","14.7","0.0003","90","","90","","90","","2428.4","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C96 H80 N16 O48 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0344","0.0318","","","0.0918","0.0932","","","","","","1.13","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516492","12.0878","0.0003","6.8242","0.0001","15.8918","0.0003","90","","108.299","0.003","90","","1244.62","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O8 -","- C12 H10 N2 O8 -","- C48 H40 N8 O32 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0411","0.0389","","","0.0924","0.0936","","","","","","1.071","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516493","9.492","0.0002","9.1828","0.0003","23.0451","0.0005","90","","94.702","0.002","90","","2001.92","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9.5 H10 N O5.5 -","- C9.5 H10 N O5.5 -","- C76 H80 N8 O44 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.031","0.0296","","","0.0765","0.0772","","","","","","1.145","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516494","8.0161","0.0003","9.1719","0.0003","9.6595","0.0003","74.079","0.003","86.251","0.003","70.884","0.003","645.06","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O5 S -","- C11 H12 N4 O5 S -","- C22 H24 N8 O10 S2 -","2","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0297","0.0282","","","0.0805","0.0815","","","","","","1.149","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516495","16.1825","0.0006","5.4983","0.0002","14.0206","0.0005","90","","98.007","0.002","90","","1235.34","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C52 H64 N4 O8 S4 -","2","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0792","0.0545","","","0.1074","0.1158","","","","","","1.099","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516496","18.6134","0.0003","10.6685","0.0002","23.1955","0.0004","90","","90","","90","","4606.09","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C31 H36 Cl2 Cu4 I4 N4 O4 S2 -","- C124 H144 Cl8 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0568","0.0454","","","0.1191","0.128","","","","","","1.094","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516497","18.5914","0.0003","10.5881","0.0002","23.0469","0.0004","90","","90","","90","","4536.73","0.14","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C31 H39 Cl3 Cu4 I4 N4 O4 S2 -","- C124 H156 Cl12 Cu16 I16 N16 O16 S8 -","4","0.5","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0429","0.029","","","0.0539","0.0582","","","","","","1.029","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516498","10.5077","0.0003","23.0532","0.0005","18.4486","0.0004","90","","90.4753","0.001","90","","4468.76","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Cu4 I4 N4 O4 S2 -","- C34 H43 Cu4 I4 N4 O4 S2 -","- C136 H172 Cu16 I16 N16 O16 S8 -","4","1","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0719","0.046","","","0.0839","0.0892","","","","","","1.088","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516499","9.0974","0.0002","20.2078","0.0005","22.1236","0.0006","90","","98.234","0.0006","90","","4025.24","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cu4 I4 N4 O4 S2 -","- C30 H38 Cu4 I4 N4 O4 S2 -","- C120 H152 Cu16 I16 N16 O16 S8 -","4","1","","Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho","Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers","Crystal Growth & Design","2015","15","11","5183","","10.1021/acs.cgd.5b01199","","","0.71073","MoKα","","0.0198","0.0171","","","0.0368","0.0377","","","","","","1.074","","","","has coordinates","231344","2020-10-21","18:00:00",""
"4516500","7.763","0.001","5.0161","0.0006","8.7526","0.0011","90","","115.232","0.003","90","","308.31","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Li2 O4 -","- C6 H4 Li2 O4 -","- C12 H8 Li4 O8 -","2","0.5","","Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.","Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate","Crystal Growth & Design","2015","15","11","5555","","10.1021/acs.cgd.5b01213","","","0.71073","MoKα","","0.0439","0.0392","","","0.1045","0.1094","","","","","","1.068","","","","has coordinates","231346","2020-10-21","18:00:00",""
"4516501","10.765","0.002","3.9739","0.0007","11.261","0.002","90","","117.978","0.002","90","","425.43","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 K2 O4 -","- C6 H4 K2 O4 -","- C12 H8 K4 O8 -","2","0.5","","Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J.","Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate","Crystal Growth & Design","2015","15","11","5555","","10.1021/acs.cgd.5b01213","","","0.71073","MoKα","","0.0382","0.0372","","","0.1183","0.1205","","","","","","1.096","","","","has coordinates","231347","2020-10-21","18:00:00",""
"4516502","13.801","0.005","7.407","0.003","14.537","0.006","90","","97.369","0.006","90","","1473.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0509","0.0422","","","0.1053","0.111","","","","","","1.038","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516503","8.197","0.003","6.208","0.002","26.752","0.009","90","","92.374","0.004","90","","1360.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0612","0.0437","","","0.0939","0.1026","","","","","","1.055","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516504","8.6605","0.0018","8.2623","0.0017","36.966","0.008","90","","90","","90","","2645.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.1015","0.0592","","","0.1305","0.1475","","","","","","1.051","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516505","13.882","0.002","7.4417","0.0013","15.134","0.003","90","","96.588","0.002","90","","1553.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate dioxane solvate'","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0599","0.0485","","","0.1234","0.1312","","","","","","1.045","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516506","13.87","0.004","7.451","0.002","15.204","0.004","90","","96.399","0.004","90","","1561.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate benzene solvate'","","- C19 H16 N O4 -","- C19 H16 N O4 -","- C76 H64 N4 O16 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.1196","0.0617","","","0.1418","0.1678","","","","","","1.037","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516507","13.935","0.001","7.41","0.0005","14.532","0.0011","90","","97.066","0.001","90","","1489.15","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate Methanol solvate'","","- C16.25 H14.25 N O4.25 -","- C16.25 H14.25 N O4.25 -","- C65 H57 N4 O17 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0581","0.0465","","","0.1231","0.1311","","","","","","1.045","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516508","5.39","0.003","8.68","0.004","25.258","0.012","90","","95.143","0.007","90","","1176.9","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(4-benzylpyridinium) carboxy-propynoate","","- C14 H12 N O2 -","- C14 H12 N O2 -","- C56 H48 N4 O8 -","4","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.0671","0.0444","","","0.1082","0.1199","","","","","","1.036","","","","has coordinates,has disorder","231348","2020-10-21","18:00:00",""
"4516509","25.981","0.005","6.5254","0.0013","21.043","0.004","90","","107.372","0.003","90","","3404.8","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl N3 O5 S -","- C17 H15 Cl N3 O5 S -","- C136 H120 Cl8 N24 O40 S8 -","8","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0382","0.0339","","","0.0746","0.0763","","","","","","1.159","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516510","11.4746","0.0002","9.663","0.0002","16.1003","0.0003","90","","101.215","0.001","90","","1751.1","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl N3 O5 S -","- C17 H15 Cl N3 O5 S -","- C68 H60 Cl4 N12 O20 S4 -","4","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0319","0.0303","","","0.077","0.0786","","","","","","1.059","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516511","10.2035","0.0002","14.0538","0.0003","15.1873","0.0003","107.16","0.001","107.305","0.001","91.432","0.001","1971.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Cl2 N7 O10 S2 -","- C39 H34 Cl2 N7 O10 S2 -","- C78 H68 Cl4 N14 O20 S4 -","2","1","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0557","0.0475","","","0.0667","0.0673","","","","","","2.563","","","","has coordinates,has disorder","231349","2020-10-21","18:00:00",""
"4516512","8.5913","0.0002","12.9773","0.0003","17.6723","0.0004","84.436","0.001","84.939","0.001","75.455","0.001","1894.01","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cl N4 O5 S -","- C17 H17 Cl N4 O5 S -","- C68 H68 Cl4 N16 O20 S4 -","4","2","","Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.","Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism","Crystal Growth & Design","2015","15","12","5858","","10.1021/acs.cgd.5b01240","","","0.71073","MoKα","","0.0499","0.0419","","","0.084","0.0871","","","","","","1.117","","","","has coordinates","231349","2020-10-21","18:00:00",""
"4516513","6.6411","0.0002","6.9162","0.0002","9.0495","0.0002","90","","94.697","0.001","90","","414.26","0.02","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-malic acid urea addition compound","'(S)-(-)-hydroxysuccinic acid urea addition compound'","","- C5 H10 N2 O6 -","- C5 H10 N2 O6 -","- C10 H20 N4 O12 -","2","1","","Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna","Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids","Crystal Growth & Design","2015","15","11","5578","","10.1021/acs.cgd.5b01253","","","0.71073","MoKα","","0.021","0.019","","","","0.025","","","","","","1.904","","","","has coordinates","231350","2020-10-21","18:00:00",""
"4516514","5.0451","0.0001","12.3754","0.0002","6.8563","0.0001","90","","96.289","0.001","90","","425.498","0.013","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxalic acid urea addition compound","'ethanedioic acid urea addition compound'","","- C4 H10 N4 O6 -","- C4 H10 N4 O6 -","- C8 H20 N8 O12 -","2","0.5","","Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna","Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids","Crystal Growth & Design","2015","15","11","5578","","10.1021/acs.cgd.5b01253","","","0.71073","MoKα","","0.036","0.024","","","","0.02","","","","","","1.217","","","","has coordinates","231351","2020-10-21","18:00:00",""
"4516515","6.3949","0.0002","6.3949","0.0002","57.5399","0.0018","90","","90","","90","","2353.08","0.13","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H14 F10 N2 O3 -","- C26 H14 F10 N2 O3 -","- C104 H56 F40 N8 O12 -","4","0.5","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0477","0.043","","","0.1057","0.1078","","","","","","1.135","","","","has coordinates,has disorder","231352","2020-10-21","18:00:00",""
"4516516","5.766","0.0012","9.081","0.0018","10.927","0.002","70.74","0.03","85.15","0.03","81.57","0.03","533.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H6 F5 N -","- C13 H6 F5 N -","- C26 H12 F10 N2 -","2","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0636","0.0446","","","0.1162","0.1286","","","","","","1.024","","","","has coordinates","231353","2020-10-21","18:00:00",""
"4516517","16.6858","0.0006","4.7557","0.0002","17.1322","0.0006","90","","90.634","0.002","90","","1359.4","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F8 I2 N2 O5 -","- C26 H18 F8 I2 N2 O5 -","- C52 H36 F16 I4 N4 O10 -","2","0.5","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0296","0.0231","","","0.0584","0.0627","","","","","","1.04","","","","has coordinates,has disorder","231354","2020-10-21","18:00:00",""
"4516518","9.199","0.0018","10.765","0.002","11.907","0.002","90","","108.31","0.03","90","","1119.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl F4 N -","- C13 H6 Cl F4 N -","- C52 H24 Cl4 F16 N4 -","4","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0488","0.0367","","","0.0979","0.1066","","","","","","1.007","","","","has coordinates","231355","2020-10-21","18:00:00",""
"4516519","10.0782","0.0003","12.6478","0.0004","9.6673","0.0003","90","","108.784","0.001","90","","1166.63","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl F4 N O -","- C13 H6 Cl F4 N O -","- C52 H24 Cl4 F16 N4 O4 -","4","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0424","0.0325","","","0.0885","0.0948","","","","","","1.032","","","","has coordinates","231356","2020-10-21","18:00:00",""
"4516520","25.4609","0.001","7.0954","0.0003","15.6162","0.0008","90","","117.609","0.003","90","","2499.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Br F4 N O1.5 -","- C13 H7 Br F4 N O1.5 -","- C104 H56 Br8 F32 N8 O12 -","8","1","","Shirman, Tanya; Boterashvili, Meital; Orbach, Meital; Freeman, Dalia; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.","Finding the Perfect Match: Halogen vs Hydrogen Bonding","Crystal Growth & Design","2015","15","10","4756","","10.1021/acs.cgd.5b01260","","","0.71073","MoKα","","0.0296","0.0241","","","0.06","0.062","","","","","","1.043","","","","has coordinates","231357","2020-10-21","18:00:00",""
"4516521","10.4825","0.0014","18.658","0.002","10.1195","0.0013","90","","95.977","0.002","90","","1968.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 I3 N6 O4 -","- C10 H19 I3 N6 O4 -","- C40 H76 I12 N24 O16 -","4","1","","Vellé, Alba; Cebollada, Andrea; Ruiz, Silvia; Fonseca Guerra, Célia; Sanz Miguel, Pablo J.","Crystallographic and Computational Study on Cationic Triply Hydrogen-Bonded Nucleobases without Direct Anionic Stabilization","Crystal Growth & Design","2015","15","12","5873","","10.1021/acs.cgd.5b01272","","","0.71073","MoKα","","0.0558","0.0376","","","0.0932","0.1043","","","","","","0.981","","","","has coordinates","231358","2020-10-21","18:00:00",""
"4516522","10.6022","0.0003","9.5918","0.0003","19.3072","0.0005","90","","93.101","0.001","90","","1960.55","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0648","0.0616","","","0.1705","0.1726","","","","","","1.059","","","","has coordinates","231359","2020-10-21","18:00:00",""
"4516523","21.6173","0.0006","6.9678","0.0002","18.3594","0.0005","90","","104.494","0.003","90","","2677.37","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Coronene F4TCNQ acetonitrile","","","- C38 H15 F4 N5 -","- C38 H15 F4 N5 -","- C152 H60 F16 N20 -","4","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0441","0.0341","","","0.1014","0.1138","","","","","","0.898","","","","has coordinates,has disorder","231360","2020-10-21","18:00:00",""
"4516524","10.57","0.0003","9.5634","0.0003","19.3061","0.0006","90","","93.102","0.001","90","","1948.7","0.1","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0545","0.0522","","","0.1399","0.1416","","","","","","1.028","","","","has coordinates","231361","2020-10-21","18:00:00",""
"4516525","10.5429","0.0005","9.536","0.0004","19.3078","0.0009","90","","93.082","0.001","90","","1938.34","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0475","0.0463","","","0.1245","0.1255","","","","","","1.049","","","","has coordinates","231362","2020-10-21","18:00:00",""
"4516526","10.6384","0.0002","9.6194","0.0002","19.3119","0.0004","90","","93.066","0.001","90","","1973.45","0.07","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0752","0.0706","","","0.199","0.2025","","","","","","1.09","","","","has coordinates","231363","2020-10-21","18:00:00",""
"4516527","10.7153","0.0004","9.6687","0.0004","19.3435","0.0008","90","","92.856","0.002","90","","2001.56","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0967","0.0906","","","0.2692","0.2767","","","","","","1.105","","","","has coordinates","231364","2020-10-21","18:00:00",""
"4516528","10.6777","0.0003","9.6459","0.0003","19.3207","0.0006","90","","92.997","0.001","90","","1987.23","0.1","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0861","0.08","","","0.2258","0.2307","","","","","","1.108","","","","has coordinates","231365","2020-10-21","18:00:00",""
"4516529","21.7569","0.0013","7.0651","0.0004","18.5431","0.001","90","","103.924","0.004","90","","2766.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Coronene F4TCNQ acetonitrile","","","- C38 H15 F4 N5 -","- C38 H15 F4 N5 -","- C152 H60 F16 N20 -","4","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0517","0.0369","","","0.1127","0.1296","","","","","","0.934","","","","has coordinates,has disorder","231366","2020-10-21","18:00:00",""
"4516530","10.0086","0.0004","4.6651","0.0002","15.5437","0.0006","90","","106.576","0.003","90","","695.59","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Coronene","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0573","0.0454","","","0.1272","0.134","","","","","","1.131","","","","has coordinates,has disorder","231367","2020-10-21","18:00:00",""
"4516531","9.06021","0.00018","11.41494","0.00018","10.5969","0.0002","90","","100.271","0.0018","90","","1078.39","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","methanesulfonamide: 18-crown-6","","- C14 H34 N2 O10 S2 -","- C14 H34 N2 O10 S2 -","- C28 H68 N4 O20 S4 -","2","0.5","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0297","0.0274","","","0.071","0.0734","","","","","","1.0508","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516532","17.5382","0.0003","8.96058","0.00015","19.9529","0.0003","90","","101.259","0.0014","90","","3075.3","0.09","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","p-toluenesulfonamide 18-crown-6 complex","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C104 H168 N8 O40 S8 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0382","0.0342","","","0.0881","0.0907","","","","","","1.055","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516533","8.3069","0.0005","16.5244","0.0008","15.5695","0.0007","90","","95.397","0.005","90","","2127.7","0.19","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","18-crown-6: benzene sulfonamide 1:1 cocrystal","","- C18 H31 N O8 S -","- C18 H31 N O8 S -","- C72 H124 N4 O32 S4 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0993","0.0584","","","0.1002","0.1167","","","","","","1.017","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516534","9.5021","0.0003","14.5233","0.0005","9.8682","0.0003","90","","94.627","0.003","90","","1357.39","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O5 S -","- C12 H19 N O5 S -","- C48 H76 N4 O20 S4 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","x-ray","0.71073","MoKα","","0.0768","0.0491","","","0.1001","0.111","","","","","","1.035","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516535","16.4214","0.0005","9.4791","0.0003","19.097","0.0005","90","","105.823","0.003","90","","2860","0.15","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N2 O10 S2 -","- C24 H38 N2 O10 S2 -","- C96 H152 N8 O40 S8 -","4","1","","Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.","Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides","Crystal Growth & Design","2015","15","12","5892","","10.1021/acs.cgd.5b01316","","","0.71073","MoKα","","0.0615","0.0419","","","0.0929","0.1066","","","","","","1.039","","","","has coordinates","231368","2020-10-21","18:00:00",""
"4516536","11.8953","0.0009","13.1283","0.001","22.3913","0.0018","77.037","0.005","89.771","0.004","69.057","0.004","3171.3","0.4","299","2","299","2","","","","","","","","6","P -1","-P 1","2","Cu complex","","","- C61 H44 Cu2 N6 O12 P4 -","- C61 H44 Cu2 N6 O12 P4 -","- C122 H88 Cu4 N12 O24 P8 -","2","1","","Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ","Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces","Crystal Growth & Design","2015","15","12","5665","","10.1021/acs.cgd.5b01319","","","0.71073","MoKα","","0.0742","0.051","","","0.1351","0.1439","","","","","","1.102","","","","has coordinates","231369","2020-10-21","18:00:00",""
"4516537","14.1943","0.0009","23.6474","0.0014","25.3309","0.0015","90","","105.595","0.001","90","","8189.5","0.9","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76.5 Cu2 N6 O29.25 P8 -","- C80 H76.5 Cu2 N6 O29.25 P8 -","- C320 H306 Cu8 N24 O117 P32 -","4","1","","Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ","Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces","Crystal Growth & Design","2015","15","12","5665","","10.1021/acs.cgd.5b01319","","x-ray","0.71073","MoKα","","0.0518","0.0404","","","0.1008","0.1072","","","","","","1.038","","","","has coordinates,has disorder","231370","2020-10-21","18:00:00",""
"4516538","7.2698","0.0013","20.125","0.004","18.948","0.003","90","","90","","90","","2772.2","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H27 Cu3 N5 O16 S -","- C21 H17 Cu3 N5 O16 S -","- C84 H68 Cu12 N20 O64 S4 -","4","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.1958","0.0662","","","0.1399","0.1799","","","","","","0.815","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516539","24.083","0.015","7.345","0.004","13.568","0.007","90","","121.785","0.014","90","","2040","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cu N4 O6 -","- C22 H18 Cu N4 O6 -","- C88 H72 Cu4 N16 O24 -","4","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.0733","0.0581","","","0.1411","0.1492","","","","","","1.679","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516540","13.129","0.005","19.681","0.007","10.247","0.004","90","","91.348","0.007","90","","2647","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N5 O10 -","- C25 H17 Co N5 O10 -","- C100 H68 Co4 N20 O40 -","4","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.0892","0.0529","","","0.1382","0.158","","","","","","0.905","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516541","10.259","0.003","12.726","0.004","12.728","0.006","110.367","0.013","102.914","0.014","108.996","0.009","1362.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O11 -","- C26 H18 Co N4 O11 -","- C52 H36 Co2 N8 O22 -","2","1","","Banerjee, Kaustuv; Roy, Sandipan; Kotal, Moumita; Biradha, Kumar","Coordination Polymers Containing Tubular, Layered, and Diamondoid Networks: Redox, Luminescence, and Electron Paramagnetic Resonance Activities","Crystal Growth & Design","2015","15","11","5604","","10.1021/acs.cgd.5b01329","","","0.71073","MoKα","","0.2898","0.0853","","","0.1199","0.1416","","","","","","0.961","","","","has coordinates","231371","2020-10-21","18:00:00",""
"4516542","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C30 H38 Br1.5 N O4 -","- C30 H38 Br1.5 N O4 -","- C240 H304 Br12 N8 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1054","0.0957","","0.204","0.2004","0.204","","","","","","0.9539","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4516543","15.3023","0.0019","35.513","0.004","12.0386","0.0015","90","","90","","90","","6542.1","1.4","90","","90","","","","","","","","synthesized","5","P n m a","-P 2ac 2n","62","","","","- C34 H48 Br1.5 N1.5 O4 -","- C34 H48 Br1.5 N1.5 O4 -","- C272 H384 Br12 N12 O32 -","8","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.1537","0.1414","","0.3218","0.3173","0.3218","","","","","","0.969","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516544","15.71","0.004","8.607","0.002","18.326","0.006","90","","110.784","0.005","90","","2316.7","1.1","90","","90","","","","","","","","synthesized","5","C 1 2 1","C 2y","5","","","","- C23 H37 Br N O2 -","- C23 H37 Br N O2 -","- C92 H148 Br4 N4 O8 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0397","0.03","","0.0763","0.0686","0.0763","","","","","","0.8908","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516545","12.069","0.0007","12.069","0.0007","10.8286","0.0006","90","","90","","90","","1577.3","0.16","90","","90","","","","","","","","synthesized","3","P 43","P 4cw","78","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0441","0.0402","","0.109","0.1038","0.109","","","","","","0.9162","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516546","9.696","0.002","31.604","0.008","9.801","0.002","90","","101.57","0.008","90","","2942.3","1.1","90","","90","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C64 H97 N3 O8 -","- C64 H97 N3 O8 -","- C128 H194 N6 O16 -","2","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","1.54178","CuKα","","0.044","0.0428","","0.1136","0.1108","0.1127","","","","","","1.0285","","","","has coordinates,has disorder","231372","2020-10-21","18:00:00",""
"4516547","8.36","0.003","41.236","0.013","18.139","0.006","90","","90","","90","","6253","4","90","","90","","","","","","","","synthesized","4","P n m a","-P 2ac 2n","62","","","","- C62 H94 N2 O8 -","- C62 H94 N2 O8 -","- C248 H376 N8 O32 -","4","0.5","","White, Nicholas G.; MacLachlan, Mark J.","Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene","Crystal Growth & Design","2015","15","11","5629","","10.1021/acs.cgd.5b01342","","","0.71073","MoKα","","0.0585","0.0544","","0.1213","0.12","0.1212","","","","","","0.9785","","","","has coordinates","231372","2020-10-21","18:00:00",""
"4516548","8.8168","0.0009","8.9397","0.0009","16.8959","0.0016","78.816","0.008","78.074","0.008","68.557","0.009","1202.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Cl2 Cu3 N10 O3 -","- C17 H20 Cl2 Cu3 N10 O3 -","- C34 H40 Cl4 Cu6 N20 O6 -","2","1","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.1046","0.077","","","0.2122","0.2324","","","","","","1.104","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4516549","11.3022","0.0003","13.1824","0.0004","15.4119","0.0004","65.155","0.003","76.631","0.002","88.938","0.002","2019.18","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H17 Cl4 Cu2 O12.5 -","- C8 H12 Cl4 Cu2 O12.5 -","- C32 H48 Cl16 Cu8 O50 -","4","2","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0542","0.0343","","","0.0854","0.0939","","","","","","1.063","","","","has coordinates","231374","2020-10-21","18:00:00",""
"4516550","8.49653","0.00009","16.08972","0.00015","12.88024","0.00014","90","","109.025","0.0012","90","","1664.63","0.03","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 Cu4 N8 O12 -","- C22 H30 Cl2 Cu4 N8 O12 -","- C44 H60 Cl4 Cu8 N16 O24 -","2","0.5","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0338","0.0296","","","0.0889","0.0909","","","","","","1.022","","","","has coordinates","231375","2020-10-21","18:00:00",""
"4516551","5.0783","0.0002","7.5176","0.0004","9.9479","0.0004","73.15","0.004","83.485","0.004","77.841","0.004","354.76","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 Cu N4 O4 -","- C10 H12 Cl2 Cu N4 O4 -","- C10 H12 Cl2 Cu N4 O4 -","1","0.5","","Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca","Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction","Crystal Growth & Design","2015","15","12","5910","","10.1021/acs.cgd.5b01365","","x-ray","0.71073","MoKα","","0.0314","0.0272","","","0.0635","0.0659","","","","","","1.048","","","","has coordinates","231376","2020-10-21","18:00:00",""
"4516552","15.0506","0.0006","15.0506","0.0006","55.721","0.002","90","","90","","90","","12622","0.8","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 La3 N8 O46 -","- C120 H72 La3 N8 O46 -","- C480 H288 La12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0635","0.0502","","","0.097","0.1012","","","","","","1.077","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516553","15.0749","0.001","15.0749","0.001","55.646","0.007","90","","90","","90","","12646","2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C120 H91 Ce3 N8 O46 -","- C120 H72 Ce3 N8 O46 -","- C480 H288 Ce12 N32 O184 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0394","0.0368","","","0.0894","0.0905","","","","","","1.093","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516554","14.9573","0.0009","14.9573","0.0009","55.69","0.003","90","","90","","90","","12459","1.3","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Sm3 -","- C122 H77 N8 O45 Sm3 -","- C488 H308 N32 O180 Sm12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.034","0.0326","","","0.0717","0.0722","","","","","","1.14","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516555","14.9044","0.001","14.9044","0.001","55.8","0.004","90","","90","","90","","12395.5","1.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Eu3 N8 O45 -","- C122 H85 Eu3 N8 O45 -","- C488 H340 Eu12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0316","0.0304","","","0.0657","0.0661","","","","","","1.171","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516556","14.9247","0.0008","14.9247","0.0008","55.654","0.006","90","","90","","90","","12396.7","1.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd3 N8 O45 -","- C122 H77 Gd3 N8 O45 -","- C488 H308 Gd12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0439","0.0424","","","0.0938","0.0944","","","","","","1.19","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516557","14.9043","0.0007","14.9043","0.0007","55.841","0.005","90","","90","","90","","12404.4","1.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 N8 O45 Tb3 -","- C122 H77 N8 O45 Tb3 -","- C488 H308 N32 O180 Tb12 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0414","0.0394","","","0.0891","0.0898","","","","","","1.139","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516558","14.9189","0.0005","14.9189","0.0005","55.485","0.004","90","","90","","90","","12349.5","1.1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Dy3 N8 O45 -","- C122 H77 Dy3 N8 O45 -","- C488 H308 Dy12 N32 O180 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0592","0.0539","","","0.1223","0.1243","","","","","","1.133","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516559","14.8679","0.0016","14.8679","0.0016","55.353","0.006","90","","90","","90","","12236","2","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce2.27 N8 O45 Tb0.73 -","- C120 H72 Ce2.27 N8 O45 Tb0.73 -","- C480 H288 Ce9.08 N32 O180 Tb2.92 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","x-ray","0.71073","MoKα","","0.0793","0.0548","","","0.1137","0.122","","","","","","1.052","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516560","14.9095","0.0006","14.9095","0.0006","55.729","0.004","90","","90","","90","","12388.2","1.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C122 H93 Gd0.36 N8 O45 Tb2.64 -","- C122 H77 Gd0.36 N8 O45 Tb2.64 -","- C488 H308 Gd1.44 N32 O180 Tb10.56 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.047","0.0378","","","0.0748","0.077","","","","","","1.018","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516561","14.9837","0.0007","14.9837","0.0007","55.753","0.005","90","","90","","90","","12517.2","1.4","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C120 H89 Ce1.41 Gd0.27 N8 O45 Tb1.32 -","- C120 H72 Ce1.41 Gd0.27 N8 O44.999 Tb1.32 -","- C480 H288 Ce5.64 Gd1.08 N32 O179.996 Tb5.28 -","4","0.5","","Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.","Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence","Crystal Growth & Design","2015","15","11","5637","","10.1021/acs.cgd.5b01387","","","0.71073","MoKα","","0.0478","0.0411","","","0.0975","0.0998","","","","","","1.068","","","","has coordinates,has disorder","231377","2020-10-21","18:00:00",""
"4516562","10.9665","0.0007","8.1909","0.0004","25.0237","0.0014","90","","91.593","0.005","90","","2246.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Co0.33 N6 O13 Pb2.67 -","- C18 H8 Co0.33 N6 O13 Pb2.67 -","- C72 H32 Co1.32 N24 O52 Pb10.68 -","4","1","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0756","0.0548","","","0.1002","0.1073","","","","","","1.166","","","","has coordinates,has disorder","231378","2020-10-21","18:00:00",""
"4516563","9.2624","0.0009","12.0268","0.0009","13.943","0.0008","90","","90","","90","","1553.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N2 O5 Pb -","- C6 H4 N2 O5 Pb -","- C48 H32 N16 O40 Pb8 -","8","1","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0542","0.0351","","","0.0738","0.0847","","","","","","1.036","","","","has coordinates","231379","2020-10-21","18:00:00",""
"4516564","11.5601","0.001","8.4327","0.0007","11.7917","0.001","90","","126.307","0.0008","90","","926.32","0.14","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cl2 N4 O10 Pb2 -","- C12 H10 Cl2 N4 O10 Pb2 -","- C24 H20 Cl4 N8 O20 Pb4 -","2","0.25","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0262","0.0256","","","0.0677","0.0679","","","","","","1.107","","","","has coordinates","231380","2020-10-21","18:00:00",""
"4516565","18.4486","0.0011","19.2044","0.0012","31.3758","0.0018","90","","90","","90","","11116.3","1.2","174","2","174","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C33 H37 N2 O8 Zn2 -","- C33 H37 N2 O8 Zn2 -","- C264 H296 N16 O64 Zn16 -","8","1","","Nguyen, Edward T.; Zhao, Xiang; Ta, Daniel; Nguyen, Phuong-Lan; Bu, Xianhui","Comparative Study of In Situ and Presynthesized X-Pillar Ligand in Self-Assembly of Homochiral Porous Frameworks","Crystal Growth & Design","2015","15","12","5939","","10.1021/acs.cgd.5b01412","","","0.71073","MoKα","","0.0735","0.0556","","","0.1371","0.144","","","","","","0.984","","","","has coordinates","231381","2020-10-21","18:00:00",""
"4516566","11.4286","0.0008","12.8633","0.001","17.841","0.0013","110.488","0.004","104.772","0.004","91.007","0.004","2359.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H34 Cd N4 O7 -","- C59 H34 Cd N4 O7 -","- C118 H68 Cd2 N8 O14 -","2","1","","Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar","Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing","Crystal Growth & Design","2015","16","1","82","","10.1021/acs.cgd.5b01448","","","0.71073","MoKα","","0.0964","0.0504","","","0.116","0.1419","","","","","","0.884","","","","has coordinates","231382","2020-10-21","18:00:00",""
"4516567","22.88","0.0005","17.8769","0.0004","17.9672","0.0004","90","","113.907","0.001","90","","6718.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H52 Cd2 N4 O9 -","- C84 H52 Cd2 N4 O9 -","- C336 H208 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar","Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing","Crystal Growth & Design","2015","16","1","82","","10.1021/acs.cgd.5b01448","","","0.71073","MoKα","","0.0825","0.0419","","","0.093","0.1101","","","","","","1.006","","","","has coordinates","231382","2020-10-21","18:00:00",""
"4516568","30.469","0.003","3.81","0.0004","11.0387","0.001","90","","99.714","0.009","90","","1263.1","0.2","305","0.1","305","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase I","","- C4 H4 N2 -","- C4 H4 N2 -","- C48 H48 N24 -","12","3","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.1646","0.1193","","","0.3241","0.3603","","","","","","1.072","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516569","11.263","0.012","3.831","0.002","11.086","0.012","90","","116.93","0.13","90","","426.5","0.8","315","0.1","315","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.2481","0.0643","","","0.0598","0.0957","","","","","","0.904","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516570","11.252","0.003","3.8312","0.0011","11.074","0.004","90","","117.15","0.04","90","","424.8","0.3","310","0.1","310","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0692","0.0436","","","0.0971","0.1089","","","","","","1.045","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516571","11.239","0.004","3.8173","0.0007","11.06","0.003","90","","116.79","0.04","90","","423.6","0.3","305","0.1","305","0.1","","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrazine","pyrazine phase II","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0957","0.072","","","0.2095","0.2397","","","","","","1.057","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516572","9.333","0.0019","5.848","0.0012","3.7735","0.0008","90","","90","","90","","205.96","0.07","295","2","295","2","","","620000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0458","0.0346","","","0.0872","0.096","","","","","","1.204","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516573","9.312","0.013","5.835","0.009","3.743","0.006","90","","90","","90","","203.4","0.5","295","2","295","2","","","690000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.1027","0.079","","","0.0818","0.0888","","","","","","1.342","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516574","9.301","0.0019","5.735","0.0011","3.712","0.0007","90","","90","","90","","198","0.07","295","2","295","2","","","860000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0737","0.0619","","","0.0847","0.0883","","","","","","1.332","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516575","9.307","0.009","5.706","0.006","3.623","0.003","90","","90","","90","","192.4","0.3","295","2","295","2","","","1080000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0368","0.0317","","","0.0587","0.0611","","","","","","1.193","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516576","9.313","0.014","5.683","0.013","3.583","0.004","90","","93.1","0.11","90","","189.4","0.6","295","2","295","2","","","1160000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0765","0.0657","","","0.1024","0.1069","","","","","","1.22","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516577","9.267","0.014","5.516","0.009","3.544","0.004","90","","94.91","0.13","90","","180.5","0.5","295","2","295","2","","","1750000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0561","0.0396","","","0.0785","0.0836","","","","","","1.299","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516578","9.265","0.011","5.433","0.007","3.479","0.004","90","","96.15","0.14","90","","174.1","0.4","295","2","295","2","","","2390000","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazine","pyrazine phase IV","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.5","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0487","0.0293","","","0.0445","0.0499","","","","","","1.242","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516601","6.8546","0.0006","7.0142","0.0006","10.762","0.0008","87.65","0.005","82.614","0.005","72.056","0.005","488.18","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 O7 Sr -","- C9 H6 O7 Sr -","- C18 H12 O14 Sr2 -","2","1","","Usman, Muhammad; Mendiratta, Shruti; Batjargal, Sainbileg; Haider, Golam; Hayashi, Michitoshi; Rao Gade, Narsinga; Chen, Jenq-Wei; Chen, Yang-Fang; Lu, Kuang-Lieh","Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework.","ACS applied materials & interfaces","2015","7","41","22767","22774","10.1021/acsami.5b07228","","","0.71073","MoKα","","0.0713","0.0689","","","0.1818","0.1829","","","","","","1.094","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4516602","14.7776","0.0013","12.4094","0.0011","29.9554","0.0018","90","","115.572","0.003","90","","4955.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 N3 O11 Zn2 -","- C35 H39 N3 O11 Zn2 -","- C140 H156 N12 O44 Zn8 -","4","1","","Li, Liangjun; Xue, Haitao; Wang, Ying; Zhao, Pinhui; Zhu, Dandan; Jiang, Min; Zhao, Xuebo","Solvothermal Metal Metathesis on a Metal-Organic Framework with Constricted Pores and the Study of Gas Separation.","ACS applied materials & interfaces","2015","7","45","25402","25412","10.1021/acsami.5b07953","","","0.71073","MoKα","","0.0591","0.0463","","","0.1357","0.1428","","","","","","1.042","","","","has coordinates,has disorder","239399","2020-10-21","18:00:00",""
"4516658","10.073","0.003","10.958","0.003","25.373","0.006","100.784","0.005","100.991","0.005","90.485","0.005","2697.9","1.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O -","- C17 H16 O -","- C136 H128 O8 -","8","4","","Qin, Guiping; Chen, Xiangning; Yang, Lei; Huang, Hanmin","Copper-Catalyzed α-Benzylation of Enones via Radical-Triggered Oxidative Coupling of Two C‒H Bonds","ACS Catalysis","2015","5","5","2882","","10.1021/acscatal.5b00310","","","0.71073","MoKα","","0.1306","0.0517","","","0.1051","0.1397","","","","","","0.998","","","","has coordinates","239435","2020-10-21","18:00:00",""
"4516659","10.6111","0.0008","9.3941","0.0007","19.1315","0.0015","90","","91.384","0.001","90","","1906.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F3 N4 O7 -","- C15 H19 F3 N4 O7 -","- C60 H76 F12 N16 O28 -","4","1","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0532","0.0424","","","0.1089","0.1169","","","","","","1.003","","","","has coordinates","239436","2020-10-21","18:00:00",""
"4516660","15.896","0.003","8.7193","0.0014","25.283","0.004","90","","90","","90","","3504.3","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H15 Cl F3 N O5 -","- C17 H15 Cl F3 N O5 -","- C136 H120 Cl8 F24 N8 O40 -","8","2","","Huang, Lin; Lin, Jin-Shun; Tan, Bin; Liu, Xin-Yuan","Alkene Trifluoromethylation-Initiated Remote α-Azidation of Carbonyl Compounds toward Trifluoromethyl γ-Lactam and Spirobenzofuranone-Lactam","ACS Catalysis","2015","5","5","2826","","10.1021/acscatal.5b00311","","","0.71073","MoKα","","0.0499","0.0418","","","0.1156","0.1221","","","","","","1.04","","","","has coordinates","239437","2020-10-21","18:00:00",""
"4516661","15.5297","0.0005","15.5297","0.0005","24.1564","0.0011","90","","90","","120","","5045.3","0.3","150","","150","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C55 H40 Cl3 O3 P3 Si3 -","- C55 H40 Cl3 O3 P3 Si3 -","- C220 H160 Cl12 O12 P12 Si12 -","4","0.333333","","Iwai, Tomohiro; Konishi, Shota; Miyazaki, Tatsuya; Kawamorita, Soichiro; Yokokawa, Natsumi; Ohmiya, Hirohisa; Sawamura, Masaya","Silica-Supported Triptycene-Type Phosphine. Synthesis, Characterization, and Application to Pd-Catalyzed Suzuki‒Miyaura Cross-Coupling of Chloroarenes","ACS Catalysis","2015","5","12","7254","","10.1021/acscatal.5b00904","","","0.71075","MoKα","","","0.0461","","","","0.1077","","","","","","1.139","","","","has coordinates","239438","2020-10-21","18:00:00",""
"4516662","33.581","0.002","10.1257","0.0002","19.1334","0.0004","90","","101.527","0.007","90","","6374.7","0.5","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 Cl N5 P Ru -","- C38 H31 Cl N5 P Ru -","- C304 H248 Cl8 N40 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0283","0.028","","","0.0728","0.0731","","","","","","1.04","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516663","31.847","0.002","12.7757","0.0002","25.6211","0.0005","90","","117.055","0.008","90","","9283.7","0.9","85","2","85","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C44.5 H38 Cl F6 N5 O6 P Ru S2 -","- C356 H304 Cl8 F48 N40 O48 P8 Ru8 S16 -","8","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0518","0.0487","","","0.1415","0.1436","","","","","","1.101","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516664","9.4999","0.0002","10.3978","0.0002","18.4333","0.0013","79.884","0.006","84.512","0.006","68.604","0.005","1667.97","0.14","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H33 F3 N5 O P Ru -","- C40 H33 F3 N5 O P Ru -","- C80 H66 F6 N10 O2 P2 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0248","0.0242","","","0.0642","0.0647","","","","","","1.066","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516665","11.5459","0.0002","20.4778","0.0004","18.8418","0.0013","90","","104.485","0.007","90","","4313.2","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl N5 P2 Ru -","- C54 H42 Cl N5 P2 Ru -","- C216 H168 Cl4 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0225","0.0223","","","0.0551","0.0552","","","","","","1.039","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516666","11.8598","0.0002","13.6537","0.0003","16.6403","0.0012","89.614","0.006","87.952","0.006","69.915","0.005","2529","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Cl N5 P2 Ru -","- C56 H46 Cl N5 P2 Ru -","- C112 H92 Cl2 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0295","0.0289","","","0.0696","0.07","","","","","","1.027","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516667","23.8181","0.0017","11.25","0.0002","20.994","0.002","90","","115.986","0.009","90","","5056.7","0.7","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl N5 O3.5 P2 Ru -","- C60 H54 Cl N5 O3.5 P2 Ru -","- C240 H216 Cl4 N20 O14 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0763","0.0706","","","0.1914","0.1993","","","","","","1.11","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516668","21.7779","0.0004","23.4319","0.0016","9.6235","0.0002","90","","90","","90","","4910.8","0.4","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H49 Cl4 N5 P2 Ru -","- C57 H49 Cl4 N5 P2 Ru -","- C228 H196 Cl16 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0855","0.0793","","","0.2204","0.2324","","","","","","1.129","","","","has coordinates","239439","2020-10-21","18:00:00",""
"4516669","13.7897","0.0003","15.8415","0.0003","19.6154","0.0014","71.991","0.005","73.73","0.005","81.086","0.006","3900.9","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H81 N10 P2 Ru2 -","- C97 H81 N10 P2 Ru2 -","- C194 H162 N20 P4 Ru4 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.1001","0.0869","","","0.2298","0.2419","","","","","","1.103","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516670","9.0716","0.0009","12.721","0.0007","15.6504","0.0017","93.195","0.006","103.235","0.009","93.102","0.002","1751.2","0.3","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl F6 N5 P2 Ru -","- C38 H32 Cl F6 N5 P2 Ru -","- C76 H64 Cl2 F12 N10 P4 Ru2 -","2","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Mechanism of N,N,N-Amide Ruthenium(II) Hydride Mediated Acceptorless Alcohol Dehydrogenation: Inner-Sphere β-H Elimination versus Outer-Sphere Bifunctional Metal‒Ligand Cooperativity","ACS Catalysis","2015","5","9","5468","","10.1021/acscatal.5b00952","","","1.54178","CuKα","","0.0231","0.023","","","0.0592","0.0593","","","","","","1.056","","","","has coordinates,has disorder","239439","2020-10-21","18:00:00",""
"4516671","12.5021","0.0003","13.6073","0.0003","19.1227","0.0004","90","","108.373","0.002","90","","3087.32","0.12","123","1","123","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B Cu F4 N4 O3 P -","- C34 H25 B Cu F4 N4 O3 P -","- C136 H100 B4 Cu4 F16 N16 O12 P4 -","4","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","0.71073","MoKα","","0.0437","0.036","","","0.0852","0.0894","","","","","","1.06","","","","has coordinates,has disorder","239440","2020-10-21","18:00:00",""
"4516672","10.5194","0.0005","11.305","0.0006","12.8486","0.0006","64.026","0.005","86.154","0.004","63.035","0.005","1207.7","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","- C42 H28 Cl10 N4 O6 P2 Pd2 -","1","0.5","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54184","CuKα","","0.0293","0.0258","","","0.0644","0.066","","","","","","1.056","","","","has coordinates","239441","2020-10-21","18:00:00",""
"4516673","30.0446","0.0006","11.56203","0.00018","24.6258","0.0004","90","","90","","90","","8554.4","0.3","122.99","0.16","122.99","0.16","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C47 H35 B Cl2 Cu F4 N4 O3 P -","- C376 H280 B8 Cl16 Cu8 F32 N32 O24 P8 -","8","1","","Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver","[Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions","ACS Catalysis","2015","5","9","5186","","10.1021/acscatal.5b01071","","","1.54178","CuKα","","0.0597","0.0461","","","0.1099","0.118","","","","","","1.034","","","","has coordinates,has disorder","239442","2020-10-21","18:00:00",""
"4516674","11.3913","0.0005","26.6073","0.0012","13.8664","0.0007","90","","103.752","0.005","90","","4082.3","0.3","102","1","102","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Fe Li N2 O Si2 -","- C44 H56 Fe Li N2 O Si2 -","- C176 H224 Fe4 Li4 N8 O4 Si8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0976","0.0703","","","0.1221","0.1311","","","","","","1.144","","","","has coordinates,has disorder","239443","2020-10-21","18:00:00",""
"4516675","14.14","0.0009","13.3999","0.0009","16.5218","0.001","90","","112.094","0.002","90","","2900.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Fe N2 O3 P -","- C35 H33 Fe N2 O3 P -","- C140 H132 Fe4 N8 O12 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0564","0.0387","","","0.122","0.1352","","","","","","1.026","","","","has coordinates","239444","2020-10-21","18:00:00",""
"4516676","16.7305","0.0015","14.4122","0.0007","17.4229","0.0008","90","","93.471","0.006","90","","4193.4","0.5","106.2","0.2","106.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 Fe N2 P -","- C56 H53 Fe N2 P -","- C224 H212 Fe4 N8 P4 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.1173","0.0785","","","0.1558","0.1723","","","","","","1.102","","","","has coordinates","239445","2020-10-21","18:00:00",""
"4516677","16.9958","0.0007","10.2025","0.0005","17.6294","0.0007","90","","90","","90","","3056.9","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H33 Fe N5 -","- C38 H33 Fe N5 -","- C152 H132 Fe4 N20 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0442","0.0348","","","0.0782","0.0818","","","","","","1.021","","","","has coordinates","239446","2020-10-21","18:00:00",""
"4516678","17.2377","0.0005","17.2377","0.0005","27.3182","0.0008","90","","90","","90","","8117.3","0.4","100","","100","","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C368 H416 F24 Fe8 N16 Na4 O28.7 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","- C368 H416 F24 Fe8 N16 Na4 O28.704 P4 -","1","0.0625","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.0687","0.0464","","","0.1234","0.1429","","","","","","1.09","","","","has coordinates,has disorder","239447","2020-10-21","18:00:00",""
"4516679","19.5314","0.0005","9.7274","0.0002","13.93","0.0004","90","","99.058","0.002","90","","2613.55","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 Fe N2 -","- C32 H24 Cl2 Fe N2 -","- C128 H96 Cl8 Fe4 N8 -","4","1","","Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg","Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application","ACS Catalysis","2015","5","10","6230","","10.1021/acscatal.5b01416","","","0.71073","MoKα","","0.067","0.0367","","","0.0868","0.0982","","","","","","1.057","","","","has coordinates","239448","2020-10-21","18:00:00",""
"4516680","10.8375","0.0013","14.8073","0.0018","27.377","0.003","90","","90","","90","","4393.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Fe N2 O4 Ti -","- C46 H64 Fe N2 O4 Ti -","- C184 H256 Fe4 N8 O16 Ti4 -","4","1","","Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.","Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide","ACS Catalysis","2015","5","10","6057","","10.1021/acscatal.5b01434","","","0.71073","MoKα","","0.0524","0.045","","","0.1217","0.1311","","","","","","0.941","","","","has coordinates","239449","2020-10-21","18:00:00",""
"4516681","6.1162","0.0019","15.02","0.005","17.666","0.006","90","","96.537","0.005","90","","1612.3","0.9","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1,1,2-tetrafluorohepta-2,5-diene","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Ichitsuka, Tomohiro; Fujita, Takeshi; Ichikawa, Junji","Nickel-Catalyzed Allylic C(sp3)‒F Bond Activation of Trifluoromethyl Groups via β-Fluorine Elimination: Synthesis of Difluoro-1,4-dienes","ACS Catalysis","2015","5","10","5947","","10.1021/acscatal.5b01463","","","0.71073","MoKα","","0.1027","0.0537","","","0.1001","0.1179","","","","","","1.01","","","","has coordinates","239450","2020-10-21","18:00:00",""
"4516682","10.9711","0.0009","7.3155","0.0006","19.9974","0.0017","90","","93.418","0.002","90","","1602.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H30 Cl2 N2 O4 S -","- C35 H30 Cl2 N2 O4 S -","- C70 H60 Cl4 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0424","0.0396","","","0.1058","0.1085","","","","","","1.033","","","","has coordinates","239451","2020-10-21","18:00:00",""
"4516683","7.7705","0.001","22.437","0.003","11.0377","0.0015","90","","105.525","0.002","90","","1854.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.066","0.0605","","","0.1514","0.1578","","","","","","1.046","","","","has coordinates","239452","2020-10-21","18:00:00",""
"4516684","11.9029","0.001","15.3015","0.0013","19.0001","0.0016","85.692","0.002","79.538","0.002","67.684","0.002","3148.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 S -","- C35 H28 Cl2 N2 O4 S -","- C140 H112 Cl8 N8 O16 S4 -","4","2","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.1284","0.0589","","","0.1317","0.1645","","","","","","0.987","","","","has coordinates,has disorder","239453","2020-10-21","18:00:00",""
"4516685","9.3454","0.001","9.7516","0.001","14.35","0.0015","92.675","0.002","101.306","0.002","115.481","0.002","1144.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C48 H52 N4 O8 S2 -","2","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.0749","0.0546","","","0.1424","0.1563","","","","","","1.009","","","","has coordinates","239454","2020-10-21","18:00:00",""
"4516686","10.3652","0.0008","10.371","0.0008","28.86","0.002","90","","90","","90","","3102.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 O4 S -","- C34 H28 Cl2 N2 O4 S -","- C136 H112 Cl8 N8 O16 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.079","0.0539","","","0.1246","0.1391","","","","","","1.015","","","","has coordinates","239455","2020-10-21","18:00:00",""
"4516687","8.8035","0.0002","14.912","0.0003","17.9438","0.0005","90","","90","","90","","2355.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","","Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia","Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters","ACS Catalysis","2015","5","11","6524","","10.1021/acscatal.5b01793","","","1.54178","CuKα","","0.0372","0.0326","","","0.0799","0.087","","","","","","1.071","","","","has coordinates","239456","2020-10-21","18:00:00",""
"4516688","15.6832","0.0007","11.3541","0.0005","16.787","0.0007","90","","92.189","0.001","90","","2987.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 N4 Pd2 S4 -","- C66 H68 N4 Pd2 S4 -","- C132 H136 N8 Pd4 S8 -","2","0.5","","Degtyareva, Evgeniya S.; Burykina, Julia V.; Fakhrutdinov, Artem N.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd-NHC Catalytic System for the Efficient Atom-Economic Synthesis of Vinyl Sulfides from Tertiary, Secondary, or Primary Thiols","ACS Catalysis","2015","5","12","7208","","10.1021/acscatal.5b01815","","","0.71073","MoKα","","0.0479","0.0349","","","0.0759","0.0818","","","","","","1.021","","","","has coordinates","239457","2020-10-21","18:00:00",""
"4516689","8.233","0.004","13.912","0.006","15.188","0.007","90","","90","","90","","1739.6","1.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H15 P S -","- C22 H15 P S -","- C88 H60 P4 S4 -","4","1","","Unoh, Yuto; Satoh, Tetsuya; Hirano, Koji; Miura, Masahiro","Rhodium(III)-Catalyzed Direct Coupling of Arylphosphine Derivatives with Heterobicyclic Alkenes: A Concise Route to Biarylphosphines and Dibenzophosphole Derivatives","ACS Catalysis","2015","5","11","6634","","10.1021/acscatal.5b01896","","","0.71075","MoKα","","","0.0372","","","","0.0953","","","","","","1.098","","","","has coordinates","239458","2020-10-21","18:00:00",""
"4516690","9.6451","0.0002","25.6279","0.0005","10.7472","0.0002","90","","102.565","0.001","90","","2592.91","0.09","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 F3 I O3 S -","- C24 H32 F3 I O3 S -","- C96 H128 F12 I4 O12 S4 -","4","1","","Berzina, Beatrise; Sokolovs, Igors; Suna, Edgars","Copper-Catalyzed para-Selective C‒H Amination of Electron-Rich Arenes","ACS Catalysis","2015","5","11","7008","","10.1021/acscatal.5b01992","","","0.71073","MoKα","","0.0798","0.0594","","","0.1303","0.1377","","","","","","1.126","","","","has coordinates","239459","2020-10-21","18:00:00",""
"4516691","11.4773","0.0005","13.0681","0.0005","18.2775","0.0008","70.951","0.001","80.767","0.001","78.887","0.001","2528.57","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H32 B F24 N3 Ni O2 -","- C50 H32 B F24 N3 Ni O2 -","- C100 H64 B2 F48 N6 Ni2 O4 -","2","1","","Escobar, Manuel A.; Trofymchuk, Oleksandra S.; Rodriguez, Barbara E.; Lopez-Lira, Claudia; Tapia, Ricardo; Daniliuc, Constantin; Berke, Heinz; Nachtigall, Fabiane M.; Santos, Leonardo S.; Rojas, Rene S.","Lewis Acid Enhanced Ethene Dimerization and Alkene Isomerization—ESI-MS Identification of the Catalytically Active Pyridyldimethoxybenzimidazole Nickel(II) Hydride Species","ACS Catalysis","2015","5","12","7338","","10.1021/acscatal.5b02003","","","0.71073","MoKα","","0.0561","0.0412","","","0.0933","0.101","","","","","","1.029","","","","has coordinates,has disorder","239460","2020-10-21","18:00:00",""
"4516692","11.1326","0.0005","28.0168","0.0014","13.6059","0.0006","90","","96.8149","0.0016","90","","4213.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","- C124 H186 F24 Ir4 N12 O25 S8 -","1","0.25","","Kim, Hyunwoo; Chang, Sukbok","Iridium-Catalyzed Direct C‒H Amination with Alkylamines: Facile Oxidative Insertion of Amino Group into Iridacycle","ACS Catalysis","2015","5","11","6665","","10.1021/acscatal.5b02165","","","0.71073","MoKα","","0.0728","0.0413","","","0.0939","0.1036","","","","","","1.022","","","","has coordinates,has disorder","239461","2020-10-21","18:00:00",""
"4516693","9.4911","0.0004","9.8015","0.0003","12.0673","0.0005","90","","103.604","0.004","90","","1091.09","0.07","300.79","0.1","300.79","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Li, Dan; Wang, Linqing; Yang, Dongxu; Zhang, Bangzhi; Wang, Rui","Catalytic Desymmetrization of meso-Aziridines with Benzofuran-2(3H)-Ones Employing a Simple In Situ-Generated Magnesium Catalyst","ACS Catalysis","2015","5","12","7432","","10.1021/acscatal.5b02177","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1351","0.1407","","","","","","1.12","","","","has coordinates","239462","2020-10-21","18:00:00",""
"4516745","13.839","0.004","13.839","0.004","24.216","0.009","90","","90","","90","","4638","3","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C44 H60 Cl3 Co N6 O4 -","- C44 H60 Cl3 Co N6 O4 -","- C176 H240 Cl12 Co4 N24 O16 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","0.71073","MoKα","","0.0501","0.0442","","","0.1171","0.122","","","","","","1.059","","","","has coordinates,has disorder","239504","2020-10-21","18:00:00",""
"4516746","13.8725","0.0007","13.8725","0.0007","24.3173","0.0013","90","","90","","90","","4679.8","0.4","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C44.88 H61.54 Cl3 Co N6 O3.88 -","- C44.88 H61.52 Cl3 Co N6 O3.88 -","- C179.52 H246.08 Cl12 Co4 N24 O15.52 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.051","0.0407","","","0.0841","0.0871","","","","","","1.071","","","","has coordinates,has disorder","239505","2020-10-21","18:00:00",""
"4516747","12.0877","0.0006","25.0985","0.0014","16.8235","0.0008","90","","90.887","0.003","90","","5103.4","0.5","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H146 Cl6 Co2 N12 O25 -","- C84 H146 Cl6 Co2 N12 O25 -","- C168 H292 Cl12 Co4 N24 O50 -","2","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.0807","0.0746","","","0.1791","0.183","","","","","","1.149","","","","has coordinates","239506","2020-10-21","18:00:00",""
"4516799","19.66","0.0008","12.3532","0.0005","21.83","0.0009","90","","97.852","0.003","90","","5252","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 N Ni O3 P S -","- C27 H34 N Ni O3 P S -","- C216 H272 N8 Ni8 O24 P8 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54184","CuKα","","0.0405","0.0368","","","0.1038","0.1075","","","","","","1.083","","","","has coordinates","239547","2020-10-21","18:00:00",""
"4516800","20.2492","0.0005","8.0522","0.0002","31.5344","0.0006","90","","90","","90","","5141.7","0.2","100","","100.04","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(SO2)-FI2-OMe2","","- C28 H25 N O5 S -","- C30 H31 N O6 S -","- C240 H248 N8 O48 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.045","0.0412","","","0.1016","0.104","","","","","","1.105","","","","has coordinates","239549","2020-10-21","18:00:00",""
"4516801","14.3837","0.0007","20.8951","0.0009","34.7537","0.0016","93.299","0.002","100.959","0.003","99.89","0.002","10058.3","0.8","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","FI2-CF3SO2-Ni2","","- C60 H60.6667 F12 N2 Ni2 O4 P2 S -","- C60 H60.3333 F12 N2 Ni2 O4 P2 S -","- C360 H362 F72 N12 Ni12 O24 P12 S6 -","6","3","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","x-ray","1.54178","CuKα","","0.1336","0.1077","","","0.3238","0.3486","","","","","","1.337","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4516802","8.1727","0.0003","15.1478","0.0005","20.3994","0.0007","86.808","0.002","78.729","0.002","74.828","0.001","2390.35","0.15","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","(CF3,SO2)FI-Ni2","","- C50 H34 F12 N2 O4 S -","- C50 H34 F12 N2 O4 S -","- C100 H68 F24 N4 O8 S2 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","0.71073","MoKα","","0.1495","0.0997","","","0.3008","0.3207","","","","","","1.107","","","","has coordinates,has disorder","239551","2020-10-21","18:00:00",""
"4516803","11.6834","0.0004","14.3669","0.0005","18.298","0.0005","90.487","0.002","98.374","0.002","107.462","0.002","2894.18","0.17","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","Ni2-FI(SO2)","","- C52 H64 N2 Ni2 O6 P2 S2 -","- C52 H64 N2 Ni2 O6 P2 S2 -","- C104 H128 N4 Ni4 O12 P4 S4 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.0472","0.0407","","","0.1157","0.1217","","","","","","1.076","","","","has coordinates,has disorder","239552","2020-10-21","18:00:00",""
"4516815","4.7861","0.0007","5.9851","0.0009","7.9546","0.0011","83.224","0.012","75.23","0.011","84.63","0.012","218.31","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H6 Br N -","- C11 H6 Br N -","- C11 H6 Br N -","1","0.5","","Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael","Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.","ACS nano","2015","9","4","4508","4526","10.1021/acsnano.5b01109","","","0.71073","MoKα","","0.1279","0.1273","","","0.3192","0.3193","","","","","","1.411","","","","has coordinates,has disorder","265220","2021-05-14","09:56:33",""
"4516816","18.518","0.0016","6.151","0.0003","8.6436","0.0008","90","","90.291","0.007","90","","984.53","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N O -","- C11 H8 Br N O -","- C44 H32 Br4 N4 O4 -","4","1","","Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael","Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.","ACS nano","2015","9","4","4508","4526","10.1021/acsnano.5b01109","","","0.71073","MoKα","","0.0496","0.0476","","","0.1221","0.1253","","","","","","1.047","","","","has coordinates","265220","2021-05-14","09:56:42",""
"7031671","10.1258","0.0009","11.5049","0.0011","12.799","0.0019","111.827","0.006","108.21","0.006","95.805","0.005","1274.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B N9 O Pb S8 -","- C13 H14 B N9 O Pb S8 -","- C26 H28 B2 N18 O2 Pb2 S16 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0153","0.015","","","0.0354","0.0356","","","","","","1.047","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031672","9.93379","0.00019","12.2627","0.0003","12.4372","0.0003","65.316","0.002","83.1389","0.0017","66.8959","0.0019","1264.4","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 B2 N4 Pb S8 -","- C16 H20 B2 N4 Pb S8 -","- C32 H40 B4 N8 Pb2 S16 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.7107","MoKα","","0.0165","0.0146","","","0.0321","0.0327","","","","","","1.085","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031673","12.354","0.005","16.814","0.006","9.0073","0.0018","90","","90","","90","","1871","1.1","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C14 H12 N6 O6 Pb S2 -","- C14 H12 N6 O6 Pb S2 -","- C56 H48 N24 O24 Pb4 S8 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0519","0.027","","","0.045","0.0515","","","","","","1.016","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031674","25.8252","0.0002","20.757","0.0002","15.896","0.0002","90","","90.06","0.0006","90","","8521.1","0.15","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H80 N20 O16 Pb2 S8 -","- C72 H76 N20 O16 Pb2 S8 -","- C288 H304 N80 O64 Pb8 S32 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0506","0.0317","","","0.073","0.0823","","","","","","1.017","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031675","17.9942","0.0007","6.3605","0.0002","13.1333","0.0005","90","","90","","90","","1503.13","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H4 N4 O4 Pb S -","- C2 H4 N4 O4 Pb S -","- C16 H32 N32 O32 Pb8 S8 -","8","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","1.54178","CuKα","","0.0198","0.0195","","","0.055","0.0553","","","","","","1.195","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031676","10.543","0.0011","10.543","0.0011","11.767","0.0006","90","","90","","90","","1308","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H20 N14 O6 Pb S4 -","- C12 H20 N14 O6 Pb S4 -","- C24 H40 N28 O12 Pb2 S8 -","2","0.25","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.013","0.013","","","0.0284","0.0284","","","","","","0.965","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031677","4.0517","0.0001","24.3412","0.0007","10.7681","0.0004","90","","93.9769","0.0017","90","","1059.43","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H7 N8 O Pb2 S8 -","- C9 H7 N8 O Pb2 S8 -","- C18 H14 N16 O2 Pb4 S16 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.71073","MoKα","","0.0449","0.0386","","","0.0924","0.0964","","","","","","1.013","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031678","13.3192","0.0004","11.742","0.0004","7.726","0.00019","90","","93.931","0.002","90","","1205.46","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 Pb S4 -","- C6 H6 N4 Pb S4 -","- C24 H24 N16 Pb4 S16 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","1.5418","CuKα","","0.0458","0.0404","","","0.1095","0.1131","","","","","","1.095","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031679","8.94447","0.00019","4.92209","0.00008","23.5863","0.0005","90","","92.5552","0.0018","90","","1037.37","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N8 Pb S2 -","- C4 H6 N8 Pb S2 -","- C16 H24 N32 Pb4 S8 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.7107","MoKα","","0.0387","0.0357","","","0.09","0.0943","","","","","","1.121","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031680","19.9345","0.0003","7.34785","0.00013","24.3982","0.0004","90","","90","","90","","3573.74","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 Pb S4 -","- C18 H12 N2 Pb S4 -","- C144 H96 N16 Pb8 S32 -","8","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.7107","MoKα","","0.0228","0.0208","","","0.0437","0.0444","","","","","","1.187","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031809","6.9226","0.0004","9.2809","0.0008","11.0038","0.0009","85.511","0.007","87.997","0.006","77.091","0.007","686.88","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 N2 O4 Pt -","- C30 H22 Cl2 N2 O4 Pt -","- C30 H22 Cl2 N2 O4 Pt -","1","0.5","","Fabijańska, Małgorzata; Studzian, Kazimierz; Szmigiero, Leszek; Rybarczyk-Pirek, Agnieszka J; Pfitzner, Arno; Cebula-Obrzut, Barbara; Smolewski, Piotr; Zyner, Elżbieta; Ochocki, Justyn","trans-Platinum(II) complex of 3-aminoflavone - synthesis, X-ray crystal structure and biological activities in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","938","947","10.1039/c4dt01501k","","","1.54178","CuKα","","0.0347","0.0309","","","0.0742","0.0811","","","","","","1.144","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7032518","22.832","0.0016","10.6765","0.0007","26.086","0.0018","90","","102.255","0.001","90","","6214","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 Ce N2 O4 Se2 -","- C66 H88 Ce N2 O4 Se2 -","- C264 H352 Ce4 N8 O16 Se8 -","4","0.5","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0434","0.0271","","","0.0544","0.0601","","","","","","1.058","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032519","26.492","0.003","10.2565","0.001","30.459","0.003","90","","113.142","0.001","90","","7610.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H120 Hf O9 Se2 -","- C60 H88 Hf O5 Se2 -","- C240 H352 Hf4 O20 Se8 -","4","0.5","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0329","0.0272","","","0.0685","0.0699","","","","","","1.071","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032520","10.6511","0.0019","20.51","0.004","17.812","0.003","90","","104.68","0.002","90","","3764.1","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 O6 Se2 Th -","- C78 H112 O6 Se2 Th -","- C156 H224 O12 Se4 Th2 -","2","1","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0373","0.0272","","","0.0505","0.0532","","","","","","0.92","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032521","13.523","0.003","14.612","0.003","15.959","0.003","92.097","0.002","94.557","0.002","101.358","0.002","3077.5","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H88 O4 Se2 Ti -","- C63 H88 O4 Se2 Ti -","- C126 H176 O8 Se4 Ti2 -","2","1","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0451","0.0317","","","0.0741","0.0789","","","","","","1.039","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032522","26.458","0.004","10.2668","0.0017","30.39","0.007","90","","113.026","0.002","90","","7597","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H120 O9 Se2 Zr -","- C60 H88 O5 Se2 Zr -","- C240 H352 O20 Se8 Zr4 -","4","0.5","","Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R.","Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2693","2702","10.1039/c4dt01798f","","","0.71073","MoKα","","0.0673","0.0502","","","0.1392","0.147","","","","","","1.093","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032560","11.703","0.006","12.445","0.007","16.362","0.008","102.022","0.006","93.925","0.004","111.88","0.007","2134.7","1.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cd Cl2 N6 O9 -","- C47 H36 Cd Cl2 N6 O9 -","- C94 H72 Cd2 Cl4 N12 O18 -","2","1","","Mikata, Yuji; Kizu, Asako; Konno, Hideo","TQPHEN (N,N,N',N'-tetrakis(2-quinolylmethyl)-1,2-phenylenediamine) derivatives as highly selective fluorescent probes for Cd2+.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","104","109","10.1039/c4dt02177k","","","0.7107","MoKα","","","0.0391","","","","0.1029","","","","","","1.059","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032561","11.6363","0.0018","12.2449","0.0019","16.549","0.003","101.217","0.0013","94.8706","0.0012","113.201","0.0012","2091.5","0.6","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cl2 N6 O9 Zn -","- C47 H36 Cl2 N6 O9 Zn -","- C94 H72 Cl4 N12 O18 Zn2 -","2","1","","Mikata, Yuji; Kizu, Asako; Konno, Hideo","TQPHEN (N,N,N',N'-tetrakis(2-quinolylmethyl)-1,2-phenylenediamine) derivatives as highly selective fluorescent probes for Cd2+.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","104","109","10.1039/c4dt02177k","","","0.7107","MoKα","","","0.0412","","","","0.1143","","","","","","1.051","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032612","9.5782","0.0019","12.778","0.003","18.945","0.004","107.49","0.03","99.21","0.03","97.89","0.03","2140.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Eu N4 O11 -","- C30 H29 Eu N4 O11 -","- C60 H58 Eu2 N8 O22 -","2","1","","Wen, Rong-Mei; Han, Song-De; Ren, Guo-Jian; Chang, Ze; Li, Yun-Wu; Bu, Xian-He","A flexible zwitterion ligand based lanthanide metal-organic framework for luminescence sensing of metal ions and small molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10914","10917","10.1039/c4dt02445a","","","0.71073","MoKα","","0.0795","0.0575","","","0.124","0.1306","","","","","","1.032","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032687","9.359","0.002","17.329","0.003","21.126","0.004","112.474","0.014","93.934","0.018","90.274","0.018","3156.8","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H46 Li2 N4 O2 S2 -","- C26 H46 Li2 N4 O2 S2 -","- C104 H184 Li8 N16 O8 S8 -","4","2","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.1357","0.0987","","","0.2546","0.2823","","","","","","1.037","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032688","19.731","0.003","9.3082","0.0011","19.687","0.003","90","","112.117","0.016","90","","3349.7","0.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Li2 N4 O2 S2 -","- C28 H50 Li2 N4 O2 S2 -","- C112 H200 Li8 N16 O8 S8 -","4","1","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","1.54184","CuKα","","0.152","0.0996","","","0.2687","0.3157","","","","","","0.976","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032689","18.1825","0.001","10.4665","0.0004","19.3943","0.0009","90","","100.665","0.005","90","","3627.1","0.3","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Li2 N4 O2 S2 -","- C30 H54 Li2 N4 O2 S2 -","- C120 H216 Li8 N16 O8 S8 -","4","0.5","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.0763","0.0484","","","0.0949","0.1028","","","","","","1.007","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032690","32.7559","0.0017","14.9684","0.0008","19.0716","0.0011","90","","96.636","0.004","90","","9288.2","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Li2 N4 O3 S2 -","- C42 H64 Li2 N4 O3 S2 -","- C336 H512 Li16 N32 O24 S16 -","8","1","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.1185","0.0587","","","0.1424","0.1628","","","","","","0.812","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032691","8.9651","0.0006","11.9261","0.0007","13.2831","0.0009","90","","100.343","0.006","90","","1397.13","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.0334","0.0267","","","0.068","0.0693","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032692","11.2113","0.0004","6.4407","0.0003","24.169","0.0009","90","","108.848","0.003","90","","1651.63","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C80 H72 O8 S4 -","4","1","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.0327","0.0284","","","0.0776","0.0793","","","","","","1.061","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032693","8.6995","0.0003","11.456","0.0006","20.8029","0.0009","90","","105.316","0.003","90","","1999.61","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O2 S -","- C26 H22 O2 S -","- C104 H88 O8 S4 -","4","1","","Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk","Lithiated sulfoxides: α-sulfinyl functionalized carbanions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5323","5330","10.1039/c4dt02238f","","","0.71073","MoKα","","0.0428","0.0295","","","0.0709","0.074","","","","","","0.926","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032716","6.1281","0.0003","15.9681","0.001","17.311","0.0008","90","","90","","90","","1693.95","0.16","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin","Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","568","577","10.1039/c4dt02112f","","","0.71073","MoKα","","0.0367","0.0311","","","0.0772","0.0799","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032717","11.9341","0.0006","12.2074","0.0005","15.0211","0.0008","90","","105.791","0.004","90","","2105.75","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O5 U -","- C20 H24 N2 O5 U -","- C80 H96 N8 O20 U4 -","4","1","","Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin","Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","568","577","10.1039/c4dt02112f","","","0.71073","MoKα","","0.0289","0.0233","","","0.0533","0.0555","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032765","9.5189","0.0007","10.9327","0.001","11.5197","0.001","84.048","0.004","81.976","0.004","86.335","0.004","1179.2","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","MM67","","","- C21 H24 I2 N P Pt -","- C21 H24 I2 N P Pt -","- C42 H48 I4 N2 P2 Pt2 -","2","1","","Medrano, Angeles; Dennis, Stephen M.; Alvarez-Valdés, Amparo; Perles, Josefina; McGregor Mason, Tracey; Quiroga, Adoracion G.","Synthesis, cytotoxicity, DNA interaction and cell cycle studies of trans-diiodophosphine Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3557","3562","10.1039/c4dt02392g","","","0.71073","","","0.0394","0.0281","","","0.0924","0.1129","","","","","","1","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032778","16.6843","0.0005","8.3034","0.0003","16.354","0.0004","90","","103.31","0.0016","90","","2204.77","0.12","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O -","- C30 H21 N3 O -","- C120 H84 N12 O4 -","4","1","","Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari","Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","254","267","10.1039/c4dt02728k","","","0.71073","MoKα","","0.0546","0.0401","","","0.0968","0.1054","","","","","","1.047","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032779","11.213","0.0003","13.354","0.0004","19.9336","0.0007","79.993","0.0016","87.9424","0.0018","65.3545","0.0016","2669.42","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H42 F6 Fe N6 O8 S2 -","- C62 H42 F6 Fe N6 O8 S2 -","- C124 H84 F12 Fe2 N12 O16 S4 -","2","1","","Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari","Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","254","267","10.1039/c4dt02728k","","","0.71073","MoKα","","0.0935","0.0556","","","0.1082","0.1257","","","","","","1.015","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032780","9.065","0.0003","13.7517","0.0007","23.0439","0.0009","84.22","0.004","79.057","0.003","87.837","0.004","2805.5","0.2","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C63.83 H47.83 Cl2.34 N7.83 O10 Zn -","- C63.832 H47.832 Cl2.336 N7.832 O10 Zn -","- C127.664 H95.664 Cl4.672 N15.664 O20 Zn2 -","2","1","","Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari","Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","254","267","10.1039/c4dt02728k","","","1.54184","CuKα","","0.076","0.0612","","","0.1667","0.1829","","","","","","1.033","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032781","13.9688","0.0002","17.2312","0.0002","25.2477","0.0004","102.22","0.0007","99.7574","0.0007","109.505","0.0008","5405","0.14","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H44.25 Cd Cl2 N6.75 O10 -","- C61.5 H44.25 Cd Cl2 N6.75 O10 -","- C246 H177 Cd4 Cl8 N27 O40 -","4","2","","Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari","Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","254","267","10.1039/c4dt02728k","","","0.71073","MoKα","","0.0798","0.0526","","","0.113","0.1277","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032782","10.96168","0.00015","23.2974","0.0004","25.7681","0.0005","90","","99.2317","0.0015","90","","6495.39","0.19","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 I N3 O Pt -","- C34 H32 Cl2 I N3 O Pt -","- C272 H256 Cl16 I8 N24 O8 Pt8 -","8","2","","Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari","Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","254","267","10.1039/c4dt02728k","","","1.54184","CuKα","","0.0631","0.057","","","0.1424","0.147","","","","","","1.086","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032783","13.982","0.0002","8.1795","0.0001","24.0881","0.0004","90","","104.419","0.001","90","","2668.08","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 F6 N5 O3 P Re -","- C27 H21 F6 N5 O3 P Re -","- C108 H84 F24 N20 O12 P4 Re4 -","4","1","","Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S.","Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","41","45","10.1039/c4dt03077j","","","1.54178","CuKα","","0.0263","0.0263","","","0.0654","0.0654","","","","","","1.08","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032784","27.917","0.016","12.514","0.007","32.083","0.017","90","","94.01","0.009","90","","11181","11","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H56 F24 N16 O8 P4 Re4 -","- C88 H56 F24 N16 O8 P4 Re4 -","- C352 H224 F96 N64 O32 P16 Re16 -","4","0.5","","Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S.","Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","41","45","10.1039/c4dt03077j","","","1.54178","CuKα","","0.1474","0.0916","","","0.2344","0.2646","","","","","","0.949","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032785","22.3102","0.0012","10.539","0.0009","19.3846","0.0015","90","","90","","90","","4557.8","0.6","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H34 B Cu4 N11 O S3 W -","- C26 H34 B Cu4 N11 O S3 W -","- C104 H136 B4 Cu16 N44 O4 S12 W4 -","4","0.5","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0956","0.0729","","","0.1755","0.1878","","","","","","1.048","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032786","29.866","0.006","10.387","0.002","13.906","0.003","90","","90","","90","","4313.9","1.5","223","2","223","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C21 H29 B Cu4 N10 O S3 W -","- C21 H29 B Cu4 N10 O S3 W -","- C84 H116 B4 Cu16 N40 O4 S12 W4 -","4","0.5","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0649","0.0518","","","0.1345","0.142","","","","","","1.152","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032787","17.767","0.004","17.553","0.004","18.214","0.004","90","","108.49","0.03","90","","5387","2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H57 B Cu4 N14 O S3 W -","- C45 H57 B Cu4 N14 O S3 W -","- C180 H228 B4 Cu16 N56 O4 S12 W4 -","4","1","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0944","0.0795","","","0.2062","0.2153","","","","","","1.192","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032788","13.35","0.003","13.418","0.003","13.621","0.003","60.97","0.03","83.08","0.03","80.95","0.03","2104.1","1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H72 B2 Cu8 N22 O4 S6 W2 -","- C48 H72 B2 Cu8 N22 O4 S6 W2 -","- C48 H72 B2 Cu8 N22 O4 S6 W2 -","1","0.5","","Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping","Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","130","137","10.1039/c4dt02725f","","","0.71073","MoKα","","0.0894","0.0701","","","0.1689","0.1862","","","","","","1.001","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032797","9.4451","0.001","30.53","0.003","9.7188","0.0011","90","","95.311","0.003","90","","2790.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Al2 N6 O40 U2 -","- C36 H68 Al2 N6 O40 U2 -","- C72 H136 Al4 N12 O80 U4 -","2","0.5","","Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z.","Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2597","2605","10.1039/c4dt02442g","","","0.71073","MoKα","","0.0396","0.0252","","","0.048","0.0524","","","","","","1.055","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032798","8.793","0.0008","10.6713","0.0009","14.5554","0.0013","78.605","0.003","85.842","0.003","86.569","0.003","1333.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Al2 N2 O45 Sr2 U2 -","- C26 H26 Al2 N2 O45 Sr2 U2 -","- C26 H26 Al2 N2 O45 Sr2 U2 -","1","0.5","","Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z.","Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2597","2605","10.1039/c4dt02442g","","","0.71073","MoKα","","0.0502","0.0417","","","0.1104","0.1166","","","","","","1.08","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032799","9.2106","0.0006","9.8799","0.0007","15.1866","0.001","84.12","0.002","88.101","0.002","83.115","0.002","1364.49","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H52 Fe2 Mg N4 O43 U2 -","- C32 H52 Fe2 Mg N4 O43 U2 -","- C32 H52 Fe2 Mg N4 O43 U2 -","1","0.5","","Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z.","Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2597","2605","10.1039/c4dt02442g","","","0.71073","MoKα","","0.0429","0.0346","","","0.0795","0.0836","","","","","","1.067","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032800","8.1422","0.0013","11.376","0.002","14.798","0.003","84.551","0.006","89.29","0.006","77.814","0.006","1333.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Fe2 N6 O36 U2 -","- C36 H60 Fe2 N6 O36 U2 -","- C36 H60 Fe2 N6 O36 U2 -","1","0.5","","Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z.","Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2597","2605","10.1039/c4dt02442g","","","0.71073","MoKα","","0.058","0.0353","","","0.0644","0.0715","","","","","","1.013","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032801","11.2951","0.0008","11.6508","0.0009","14.0541","0.0011","77.664","0.003","71.186","0.003","66.255","0.002","1595","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H84 Fe4 N8 O52 U2 -","- C32 H84 Fe4 N8 O52 U2 -","- C32 H84 Fe4 N8 O52 U2 -","1","0.5","","Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z.","Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2597","2605","10.1039/c4dt02442g","","","0.71073","MoKα","","0.0453","0.0385","","","0.0948","0.0981","","","","","","1.102","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032802","11.6115","0.0007","13.4918","0.0009","14.9171","0.001","87.203","0.005","75.689","0.006","70.567","0.006","2134","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 Cl N6 Ni O6 P2 -","- C46 H43 Cl N6 Ni O6 P2 -","- C92 H86 Cl2 N12 Ni2 O12 P4 -","2","1","","Walg, Simon P.; Schmidt, Alexandra D.; Schmitz, Marcus; Farsadpour, Saeid; Lang, Johannes; Niebergall, Mark; Sun, Yu; Roesky, Peter W.; Niedner-Schatteburg, Gereon; Thiel, Werner R.","P,C-bond cleavage in the ligand sphere of a nickel(II) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1317","1322","10.1039/c4dt02158d","","","1.54184","CuKα","","0.0599","0.0516","","","0.131","0.1386","","","","","","1.028","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032803","14.44","0.003","23.641","0.004","15.858","0.003","90","","109.184","0.005","90","","5112.9","1.7","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H84 N18 O6 Zn3 -","- C120 H84 N18 O6 Zn3 -","- C240 H168 N36 O12 Zn6 -","2","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.134","0.068","","","0.1643","0.1942","","","","","","0.947","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032804","12.9164","0.0017","10.2951","0.0014","14.24","0.002","90","","113.82","0.003","90","","1732.3","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.35 H29.38 N6 O2.35 Zn -","- C40.346 H29.384 N6 O2.346 Zn -","- C80.692 H58.768 N12 O4.692 Zn2 -","2","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.0521","0.0407","","","0.0948","0.1001","","","","","","1.095","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032805","9.168","0.003","17.701","0.007","19.845","0.008","90","","90","","90","","3221","2","141","2","141","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 N6 O2 Zn -","- C40 H28 N6 O2 Zn -","- C160 H112 N24 O8 Zn4 -","4","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.0619","0.0363","","","0.1052","0.1215","","","","","","1.033","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032806","9.0309","0.0008","17.766","0.0015","20.1395","0.0018","90","","90","","90","","3231.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 Cd N6 O2 -","- C40 H28 Cd N6 O2 -","- C160 H112 Cd4 N24 O8 -","4","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.1045","0.0821","","","0.2069","0.2338","","","","","","1.073","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032807","30.7574","0.0016","30.7574","0.0016","12.1006","0.0012","90","","90","","120","","9913.7","1.2","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C60 H42 Cd2 N9 O3 -","- C60 H42 Cd2 N9 O3 -","- C360 H252 Cd12 N54 O18 -","6","","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.0354","0.0278","","","0.0815","0.0854","","","","","","1.051","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032808","19.524","0.004","10.049","0.002","25.359","0.005","90","","95.409","0.004","90","","4953.2","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd6 N4 O29 -","- C96 H72 Cd6 N4 O29 -","- C192 H144 Cd12 N8 O58 -","2","0.25","","Zhang, Chuanqi; Sun, Libo; Yan, Yan; Li, Jiyang; Song, Xiaowei; Liu, Yunling; Liang, Zhiqiang","A luminescent cadmium metal-organic framework for sensing of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","230","236","10.1039/c4dt02227k","","","0.71073","MoKα","","0.1487","0.0704","","","0.1698","0.205","","","","","","1.013","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032814","9.6073","0.0002","13.5295","0.0003","10.0002","0.0002","90","","102.206","0.001","90","","1270.46","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl4 Ga P S -","- C24 H20 Cl4 Ga P S -","- C48 H40 Cl8 Ga2 P2 S2 -","2","1","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.0169","0.0161","","","0.04","0.0402","","","","","","1.057","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032815","8.4039","0.0003","15.0539","0.0005","35.2907","0.0011","90","","90.01","","90","","4464.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 F6 P Sb Se -","- C18 H32 F6 P Sb Se -","- C144 H256 F48 P8 Sb8 Se8 -","8","2","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.0244","0.0231","","","0.0615","0.0621","","","","","","1.219","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7032816","8.299","0.0006","17.4242","0.0013","15.3765","0.0012","90","","90","","90","","2223.5","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H32 F6 P S Sb -","- C18 H32 F6 P S Sb -","- C72 H128 F24 P4 S4 Sb4 -","4","0.5","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.1729","0.1274","","","0.2614","0.2782","","","","","","1.206","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032817","9.6355","0.0004","13.5694","0.0005","10.0151","0.0004","90","","102.248","0.002","90","","1279.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl4 Ga P Se -","- C24 H20 Cl4 Ga P Se -","- C48 H40 Cl8 Ga2 P2 Se2 -","2","1","","Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.","Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","110","118","10.1039/c4dt02253j","","","0.71073","MoKα","","0.0502","0.0365","","","0.0761","0.0814","","","","","","1.038","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032818","7.461","0.00015","13.0861","0.0003","14.1346","0.0003","85.6977","0.0018","80.5574","0.0017","82.6405","0.0018","1348.07","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Cl2 N4 O2 Pt S -","- C24 H34 Cl2 N4 O2 Pt S -","- C48 H68 Cl4 N8 O4 Pt2 S2 -","2","1","","Stafford, Verity S.; Suntharalingam, Kogularamanan; Shivalingam, Arun; White, Andrew J. P.; Mann, David J.; Vilar, Ramon","Syntheses of polypyridyl metal complexes and studies of their interaction with quadruplex DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3686","3700","10.1039/c4dt02910k","","","1.54184","CuKα","","0.034","0.0295","","","0.0729","0.0748","","","","","","1.054","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032819","14.9174","0.0004","15.4884","0.0005","18.5245","0.0005","69.026","0.003","81.075","0.002","63.677","0.003","3582","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H42 Cl5 N7 O3.5 Zn2.5 -","- C27.5 H38 Cl5 N7 O3.5 Zn2.5 -","- C110 H152 Cl20 N28 O14 Zn10 -","4","2","","Stafford, Verity S.; Suntharalingam, Kogularamanan; Shivalingam, Arun; White, Andrew J. P.; Mann, David J.; Vilar, Ramon","Syntheses of polypyridyl metal complexes and studies of their interaction with quadruplex DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3686","3700","10.1039/c4dt02910k","","","1.54184","CuKα","","0.0475","0.0378","","","0.1039","0.1087","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032820","38.832","0.004","14.0405","0.0008","13.7761","0.001","90","","101.09","0.009","90","","7370.8","1","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Cl4 Cu2 N7 O7.5 -","- C26 H35 Cl3 Cu2 N7 O -","- C208 H280 Cl24 Cu16 N56 O8 -","8","1","","Stafford, Verity S.; Suntharalingam, Kogularamanan; Shivalingam, Arun; White, Andrew J. P.; Mann, David J.; Vilar, Ramon","Syntheses of polypyridyl metal complexes and studies of their interaction with quadruplex DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3686","3700","10.1039/c4dt02910k","","","1.54184","CuKα","","0.1086","0.0779","","","0.23","0.2702","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032838","39.334","0.0004","19.8329","0.0002","16.0292","0.0002","90","","98.418","0.001","90","","12369.8","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H168 Fe2 N24 O33 -","- C96 H48 Fe2 N8 O17 -","- C384 H192 Fe8 N32 O68 -","4","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren Karmele; Larrea, Edurne S.; Iglesias, Marta; Lezama, Luis; Arriortua, María Isabel","Heterogeneous catalytic properties of unprecedented μ-O-[FeTCPP]2 dimers (H2TCPP = meso-tetra(4-carboxyphenyl)porphyrin): an unusual superhyperfine EPR structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","213","222","10.1039/c4dt02250e","","","1.54184","CuKα","","0.0788","0.0608","","","0.1867","0.2025","","","","","","1.063","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032839","8.6779","0.0001","12.8594","0.0002","20.8423","0.0004","92.886","0.001","99.177","0.001","109.519","0.002","2150.66","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","complex_1_chloride","chloro(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)","","- C42 H75 Cl Si2 Th -","- C42 H75 Cl Si2 Th -","- C84 H150 Cl2 Si4 Th2 -","2","1","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","","0.71073","MoKα","","0.0628","0.0464","","","0.0992","0.1055","","","","","","1.036","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032840","8.705","0.0004","12.5835","0.0006","18.14","0.0008","89.126","0.002","83.109","0.002","71.906","0.003","1874.63","0.15","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","complex_2_iodide","iodo(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)","","- C36 H63 I Si2 Th -","- C36 H63 I Si2 Th -","- C72 H126 I2 Si4 Th2 -","2","1","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","","0.71073","MoKα","","0.0533","0.0414","","","0.0975","0.1026","","","","","","1.033","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032841","12.283","0.003","13.356","0.003","15.689","0.003","65.93","0.03","67.92","0.03","72.3","0.03","2142.8","1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","complex_3_carbonate","(mu-carbonato)bis{(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)}","","- C43.5 H71 O1.5 Si2 Th -","- C43.5 H71 O1.5 Si2 Th -","- C87 H142 O3 Si4 Th2 -","2","1","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","","0.71073","MoKα","","0.0329","0.0277","","","0.0605","0.0624","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032842","12.3722","0.0005","13.3983","0.0004","15.7276","0.0007","65.525","0.002","67.618","0.002","72.722","0.002","2163.84","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","complex_4_oxalate","(mu-oxalato)bis{(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)}","","- C88 H142 O4 Si4 Th2 -","- C88 H142 O4 Si4 Th2 -","- C88 H142 O4 Si4 Th2 -","1","0.5","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","x-ray","0.71073","MoKα","","0.0475","0.0345","","","0.0673","0.0716","","","","","","1.031","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032843","13.017","0.0002","17.3983","0.0003","20.0305","0.0003","82.3334","0.0009","75.2024","0.0009","69.8092","0.0007","4111.28","0.12","173","","173.15","","","","","","","","synthesis as described","4","P -1","-P 1","2","complex_5_benzyl","benzyl(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)","","- C43 H70 Si2 Th -","- C43 H70 Si2 Th -","- C172 H280 Si8 Th4 -","4","2","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","x-ray","0.71073","MoKα","","0.058","0.0339","","","0.0677","0.0869","","","","","","1.119","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032844","11.9293","0.0004","13.9229","0.0006","14.3584","0.0005","95.881","0.003","113.241","0.003","113.851","0.003","1904.24","0.16","173","","173","","","","","","","","","5","P -1","-P 1","2","complex_8_formate","bis(mu-formato)bis{(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV)}","","- C37 H64 O2 Si2 Th -","- C37 H64 O2 Si2 Th -","- C74 H128 O4 Si4 Th2 -","2","1","","Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark","Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2588","2596","10.1039/c4dt02362e","","x-ray","0.71073","MoKα","","0.0508","0.0376","","","0.0852","0.0907","","","","","","1.082","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032845","28.1919","0.0017","19.72","0.001","11.8904","0.0008","90","","111.14","0.002","90","","6165.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H48 N24 O24 Pb5 -","- C37 H30 N22 O21 Pb5 -","- C148 H120 N88 O84 Pb20 -","4","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.0728","0.0626","","","0.1732","0.1793","","","","","","1.06","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032846","7.8443","0.0004","22.1845","0.0013","21.7657","0.0013","90","","90.842","0.002","90","","3787.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N14 O11 Pb2 -","- C22 H16 N12 O8 Pb2 -","- C88 H64 N48 O32 Pb8 -","4","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.0862","0.0526","","","0.1172","0.1269","","","","","","1.047","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032847","7.752","0.0003","7.8081","0.0003","11.2756","0.0005","85.184","0.002","86.853","0.002","67.114","0.001","626.36","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O8 Pb2 -","- C20 H16 N12 O8 Pb2 -","- C20 H16 N12 O8 Pb2 -","1","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.022","0.0214","","","0.054","0.0544","","","","","","1.166","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032848","7.6846","0.0004","8.025","0.0004","10.1201","0.0005","102.495","0.002","99.181","0.002","112.272","0.003","543.33","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N8 O10 Pb2 -","- C14 H16 N8 O10 Pb2 -","- C14 H16 N8 O10 Pb2 -","1","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.0192","0.0187","","","0.0458","0.0462","","","","","","1.19","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032849","7.6487","0.0005","12.27","0.0007","18.3447","0.0012","81.365","0.002","87.259","0.002","73.959","0.002","1635.82","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N7 O5 Pb -","- C12 H13 N7 O5 Pb -","- C48 H52 N28 O20 Pb4 -","4","2","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.0504","0.0384","","","0.1015","0.1102","","","","","","1.141","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7032850","14.468","0.003","13.261","0.002","19.861","0.004","90","","90.964","0.007","90","","3810","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H35.5 N14.5 O11.5 Pb2 -","- C20 H18 N12 O9 Pb2 -","- C80 H72 N48 O36 Pb8 -","4","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, structure and catalytic application of lead(II) complexes in cyanosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","268","280","10.1039/c4dt02316a","","","0.71073","MoKα","","0.0573","0.0429","","","0.1037","0.1095","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032851","5.725","0.0003","12.106","0.0007","16.413","0.001","90","","90","","90","","1137.53","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0476","0.037","","","0.0768","0.0797","","","","","","1.01","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032852","9.312","0.0004","16.405","0.0008","24.142","0.0011","90","","90","","90","","3688","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C136 H144 Cu8 N16 O40 -","8","2","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0709","0.0631","","","0.1607","0.1646","","","","","","1.083","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032853","9.056","0.001","7.533","0.001","12.17","0.001","90","","90.01","0.004","90","","830.22","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl Cu N3 O2 -","- C17 H16 Cl Cu N3 O2 -","- C34 H32 Cl2 Cu2 N6 O4 -","2","1","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0322","0.0297","","","0.0702","0.0713","","","","","","1.038","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032857","10.085","0.0004","12.956","0.0005","16.0513","0.0006","90","","104.918","0.001","90","","2026.59","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-diamminetetrachloroplatinum(IV) tris(dimethylformamide)","","- C9 H27 Cl4 N5 O3 Pt -","- C9 H27 Cl4 N5 O3 Pt -","- C36 H108 Cl16 N20 O12 Pt4 -","4","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0143","0.013","","","0.0301","0.0305","","","","","","1.086","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032858","21.974","0.003","12.4","0.0014","17.573","0.002","90","","112.003","0.002","90","","4439.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis,cis,trans-diamminedichlorodiiodoplatinum(IV) dimethylformamide","","- C9 H27 Cl2 I2 N5 O3 Pt -","- C9 H27 Cl2 I2 N5 O3 Pt -","- C72 H216 Cl16 I16 N40 O24 Pt8 -","8","2","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0325","0.0263","","","0.0652","0.0689","","","","","","1.077","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032859","8.0456","0.0005","10.211","0.0006","10.2604","0.0006","98.438","0.001","104.454","0.001","106.933","0.001","758.64","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","cis,trans-Diamminedichlorocyclobutanedicarboxylatoplatinum(IV)dimethylformamide solvate","","- C9 H19 Cl2 N3 O5 Pt -","- C9 H19 Cl2 N3 O5 Pt -","- C18 H38 Cl4 N6 O10 Pt2 -","2","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0138","0.0127","","","0.031","0.0315","","","","","","1.064","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032860","8.1817","0.0004","9.5209","0.0005","11.4203","0.0005","108.009","0.001","107.49","0.001","95.406","0.001","789.55","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","cis,trans-diamminedibromo(1,1-cyclobutanedicarboxylato)platinum(IV) dimethylformamide","","- C9 H19 Br2 N3 O5 Pt -","- C9 H19 Br2 N3 O5 Pt -","- C18 H38 Br4 N6 O10 Pt2 -","2","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0197","0.0188","","","0.0512","0.0516","","","","","","1.134","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032861","13.0123","0.0011","13.2677","0.0011","13.388","0.002","94.816","0.002","100.174","0.002","118.65","0.001","1958","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(mu-amido)amminecyclobutanedicarboxylatoiodoplatinum(IV)tris(dimethylformamide) diethylether","","- C25 H53 I2 N7 O12 Pt2 -","- C25 H53 I2 N7 O12 Pt2 -","- C50 H106 I4 N14 O24 Pt4 -","2","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0335","0.0227","","","0.0452","0.0488","","","","","","1.031","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032862","11.548","0.002","10.8403","0.0019","18.077","0.003","90","","93.38","0.003","90","","2259","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-diamminetetrachloroplatinum(IV) tris(dimethylformamide) hemi(diethylether)","","- C11 H27 Cl4 N5 O3.5 Pt -","- C11 H27 Cl4 N5 O3.5 Pt -","- C44 H108 Cl16 N20 O14 Pt4 -","4","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.029","0.0212","","","0.0426","0.0453","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032863","9.5555","0.0012","10.4647","0.0013","10.0797","0.0012","90","","109.763","0.002","90","","948.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","cis-diamminetetrachloroplatinum(IV) tris(bimethylsulfoxide)","","- C6 H24 Cl4 N2 O3 Pt S3 -","- C6 H24 Cl4 N2 O3 Pt S3 -","- C12 H48 Cl8 N4 O6 Pt2 S6 -","2","0.5","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0154","0.0139","","","0.0314","0.0322","","","","","","1.052","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032864","6.0601","0.0003","9.5144","0.0004","11.3376","0.0005","97.405","0.001","99.999","0.001","91.296","0.001","637.73","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis,trans-diamminedihydroxo(1,1-cyclobutanedicaboxylato)platinum(IV) trihydrate","","- C6 H20 N2 O9 Pt -","- C6 H20 N2 O9 Pt -","- C12 H40 N4 O18 Pt2 -","2","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0148","0.0138","","","0.0342","0.0347","","","","","","1.049","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032865","6.5922","0.0005","11.0012","0.0008","18.9288","0.0013","90","","97.361","0.001","90","","1361.44","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","fac-triamminetribromoplatinum(IV) bromide dimethylformamide solvate","","- C3 H16 Br4 N4 O Pt -","- C3 H16 Br4 N4 O Pt -","- C12 H64 Br16 N16 O4 Pt4 -","4","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0177","0.0153","","","0.0322","0.0327","","","","","","1.106","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032866","6.3996","0.0014","10.711","0.002","18.334","0.004","90","","96.665","0.003","90","","1248.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","fac-triamminetrichloroplatinum(IV) chloride mono(dimethylformamide)","","- C3 H16 Cl4 N4 O Pt -","- C3 H16 Cl4 N4 O Pt -","- C12 H64 Cl16 N16 O4 Pt4 -","4","1","","Johnstone, Timothy C.; Alexander, Sarah M.; Wilson, Justin J.; Lippard, Stephen J.","Oxidative halogenation of cisplatin and carboplatin: synthesis, spectroscopy, and crystal and molecular structures of Pt(IV) prodrugs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","119","129","10.1039/c4dt02627f","","","0.71073","MoKα","","0.0456","0.0325","","","0.0674","0.0728","","","","","","1.073","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032867","9.927","0.009","11.073","0.01","11.197","0.011","90.23","0.03","90.84","0.03","112.89","0.03","1133.7","1.8","123","2","123","2","","","","","","","","8","P 1","P 1","1","","","","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","- C46 H46 Cl2 Cu F6 N2 O2 P3 -","1","1","","Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro","Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","411","418","10.1039/c4dt03176h","","","0.7107","MoKα","","0.0823","0.0558","","","","0.138","","","","","","1.032","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032868","11.3979","0.0007","21.1386","0.0011","25.6198","0.0016","90","","90","","90","","6172.7","0.6","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H52 Cu F6 N2 O2 P3 -","- C67 H52 Cu F6 N2 O2 P3 -","- C268 H208 Cu4 F24 N8 O8 P12 -","4","1","","Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro","Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","411","418","10.1039/c4dt03176h","","","0.7107","MoKα","","0.0797","0.0737","","","","0.2188","","","","","","1.06","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032869","26.799","0.003","26.799","0.003","15.7884","0.0018","90","","90","","120","","9819.9","1.9","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C216 H240 N96 O140 S8 Zn8 -","- C216 H240 N96 O140 S8 Zn8 -","- C216 H240 N96 O140 S8 Zn8 -","1","0.166667","","Dutta, Ranjan; Akhuli, Bidyut; Ghosh, Pradyut","Encapsulation of [(SO4)4(H2O)12](8-) clusters in a metal organic framework of pyridyl functionalized cyanuric acid based tris-urea.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15075","15078","10.1039/c4dt02877e","","","0.71073","MoKα","","0.0859","0.0712","","","0.2638","0.2759","","","","","","1.17","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032870","12.4885","0.0008","12.5016","0.0009","12.9772","0.0009","66.933","0.002","69.943","0.002","68.825","0.002","1689.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Mg N24 O28 S -","- C54 H60 Mg N24 O28 S -","- C54 H60 Mg N24 O28 S -","1","0.5","","Dutta, Ranjan; Akhuli, Bidyut; Ghosh, Pradyut","Encapsulation of [(SO4)4(H2O)12](8-) clusters in a metal organic framework of pyridyl functionalized cyanuric acid based tris-urea.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15075","15078","10.1039/c4dt02877e","","","0.71073","MoKα","","0.1","0.0769","","","0.2351","0.2593","","","","","","1.654","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032871","12.725","0.002","15.628","0.003","18.643","0.003","75.44","0.006","70.622","0.006","86.483","0.006","3384.1","1","100","","100","2","","","","","","","","8","P -1","-P 1","2","[Fe(k3-P,N,P-PNP-Et)(k2-P,N-PNP-Et)Cl]BPhMe4.3THF","2c.3THF ‒ [Fe(k^3^-P,N,P-PNP-Et)(k^2^-P,N-PNP-Et)Cl].BPh^Me^~4~.3THF","","- C66 H102 B Cl Fe N6 O3.16 P4 -","- C66 H102 B Cl Fe N6 O3.162 P4 -","- C132 H204 B2 Cl2 Fe2 N12 O6.324 P8 -","2","1","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","","0.71073","MoKα","","0.062","0.0459","","","0.1112","0.1236","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032872","12.778","0.005","15.546","0.006","18.79","0.007","75.954","0.007","70.741","0.007","86.697","0.008","3417","2","100","","100","","","","","","","","","8","P -1","-P 1","2","[Fe(k3-P,N,P-PNP-Et)(k2-P,N-PNP-Et)Br]BPhMe4.3THF","2d.3THF ‒ [Fe(k^3^-P,N,P-PNP-Et)(k^2^-P,N-PNP-Et)Br]BPh^Me^~4~.3THF","","- C66 H102 B Br Fe N6 O3 P4 -","- C66 H102 B Br Fe N6 O3 P4 -","- C132 H204 B2 Br2 Fe2 N12 O6 P8 -","2","1","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","x-ray","0.71073","MoKα","","0.0599","0.0436","","","0.1036","0.111","","","","1.53","1.53","1.42","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032873","14.5198","0.0017","21.308","0.003","15.1462","0.0018","90","","99.71","0.004","90","","4618.9","1","100","","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","3 [Fe(k3-P,N,P-PNPMe-Ph)(k2-P,N-PNNHMe-Ph)Cl]BF4","3 – [Fe(k^3^-P,N,P-PNPMe-Ph)(k^2^-P,N-PN^NHMe^-Ph)Cl]BF~4~","","- C50 H49 B Cl F4 Fe N6 P3 -","- C50 H49 B Cl F4 Fe N6 P3 -","- C200 H196 B4 Cl4 F16 Fe4 N24 P12 -","4","1","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands–the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","x-ray","0.71073","MoKα","","0.0487","0.0319","","","0.0868","0.0976","","","","1.63","1.63","1.63","","","","has coordinates","288070","2023-12-06","12:57:16",""
"7032874","15.1224","0.0002","15.1224","0.0002","30.8856","0.0006","90","","90","","90","","7063.13","0.19","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","5b.solv [Fe(k3-P,N,P-PNP-Ph)2](Cl)2.solv 1610","5b.solv ‒ [Fe(k^3^-P,N,P-PNP-Ph)~2~](Cl)~2~.solv","","- C58 H50 Cl2 Fe N6 P4 -","- C58 H50 Cl2 Fe N6 P4 -","- C232 H200 Cl8 Fe4 N24 P16 -","4","0.25","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","","0.71073","MoKα","","0.0278","0.0259","","","0.0692","0.0707","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032875","13.4039","0.0008","16.9467","0.0009","20.9385","0.0013","78.058","0.004","80.833","0.004","68.818","0.003","4320.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","5a*6.5THF [Fe(k3-PNP-bipol)2](CF3SO3)2*6.5THF 1681","5a.6.5THF ‒ [Fe(k^3^-PNP-bipol)~2~](CF~3~SO~3~)~2~.6.5THF","","- C86 H94 F6 Fe N6 O20.5 P4 S2 -","- C85.974 H90 F6 Fe N6 O20.73 P4 S1.974 -","- C171.948 H180 F12 Fe2 N12 O41.46 P8 S3.948 -","2","1","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","","0.71073","MoKα","","0.1353","0.113","","","0.2895","0.3093","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7032876","13.6764","0.0017","18.291","0.002","16.39","0.002","90","","98.886","0.002","90","","4050.8","0.8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","5d.2(Me2CO) [Fe(k3-P,N,P-PNP-Me)2](CF3SO3)2.(Me2CO)2","5d.2(Me2CO) ‒ [Fe(k^3^-P,N,P-PNP-Me)~2~](CF~3~SO~3~)~2~.(Me~2~CO)~2~","","- C26 H46 F6 Fe N6 O8 P4 S2 -","- C26 H46 F6 Fe N6 O8 P4 S2 -","- C104 H184 F24 Fe4 N24 O32 P16 S8 -","4","0.5","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","","0.71073","MoKα","","0.0525","0.046","","","0.1237","0.1277","","","","","","1.032","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032877","13.3977","0.0013","14.1994","0.0014","21.6176","0.0019","93.677","0.003","105.861","0.003","117.314","0.003","3427.4","0.6","293","","293","","","","","","","","","7","P -1","-P 1","2","5c*0.5EtOEt [Fe(k3-P,N,P-PNP-Et)2](BPh4)2*0.5EtOEt","5c.0.5EtOEt – [Fe(k^3^-P,N,P-PNP-Et)~2~](BPh~4~)~2~.0.5EtOEt","","- C76 H95 B2 Fe N6 O0.5 P4 -","- C76 H95 B2 Fe N6 O0.5 P4 -","- C152 H190 B4 Fe2 N12 O P8 -","2","1","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands–the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","x-ray","0.71073","MoKα","","0.0489","0.0328","","","0.087","0.0939","","","","1.61","1.61","1.53","","","","has coordinates","288070","2023-12-06","12:57:31",""
"7032878","15.178","0.0006","21.4529","0.0009","16.2363","0.0006","90","","90","","90","","5286.7","0.4","100","","100","","","","","","","","","8","C c c b :1","C 2 2 -1ac","68","","","","- C40 H78 B2 F8 Fe N6 O2 P4 -","- C40 H78 B2 F8 Fe N6 O2 P4 -","- C160 H312 B8 F32 Fe4 N24 O8 P16 -","4","","","Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","281","294","10.1039/c4dt02866j","","x-ray","0.71073","MoKα","","0.0588","0.04","","","0.1036","0.1117","","","","1.74","1.74","1.63","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032879","14.9686","0.0007","13.8792","0.0008","14.7047","0.0007","90","","118.759","0.003","90","","2678.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Cl O P2 Pt S -","- C25 H37 Cl O P2 Pt S -","- C100 H148 Cl4 O4 P8 Pt4 S4 -","4","1","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Dual ligand-based fluorescence and phosphorescence emission at room temperature from platinum thioxanthonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3974","3987","10.1039/c4dt02410a","","","0.71073","MoKα","","0.0432","0.0378","","","0.0905","0.0931","","","","","","1.066","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032880","7.4046","0.0005","12.8787","0.0009","14.4893","0.001","83.228","0.006","78.081","0.006","78.527","0.005","1320.66","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 N O P2 Pt S -","- C26 H37 N O P2 Pt S -","- C52 H74 N2 O2 P4 Pt2 S2 -","2","1","","Geist, Fabian; Jackel, Andrej; Winter, Rainer F.","Dual ligand-based fluorescence and phosphorescence emission at room temperature from platinum thioxanthonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3974","3987","10.1039/c4dt02410a","","","0.71073","MoKα","","0.0432","0.0351","","","0.0768","0.0791","","","","","","1.099","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032881","8.646","0.0013","8.669","0.0011","27.921","0.003","90","","97.352","0.009","90","","2075.5","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 F6 P Ru -","- C22 H23 F6 P Ru -","- C88 H92 F24 P4 Ru4 -","4","1","","Rioja, Matias; Hamon, Paul; Roisnel, Thierry; Sinbandhit, Sourisak; Fuentealba, Mauricio; Letelier, Karina; Saillard, Jean-Yves; Vega, Andrés; Hamon, Jean-René","[(η(5)-C5Me5)Ru](+) fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","316","329","10.1039/c4dt02736a","","x-ray","0.71073","MoKα","","0.1089","0.0716","","","0.18","0.197","","","","","","0.956","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032882","7.7855","0.0003","8.5249","0.0004","17.6313","0.0007","88.288","0.001","79.379","0.001","87.063","0.001","1148.39","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H25 F6 P Ru -","- C26 H25 F6 P Ru -","- C52 H50 F12 P2 Ru2 -","2","1","","Rioja, Matias; Hamon, Paul; Roisnel, Thierry; Sinbandhit, Sourisak; Fuentealba, Mauricio; Letelier, Karina; Saillard, Jean-Yves; Vega, Andrés; Hamon, Jean-René","[(η(5)-C5Me5)Ru](+) fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","316","329","10.1039/c4dt02736a","","x-ray","0.71073","MoKα","","0.0242","0.0233","","","0.0598","0.0604","","","","","","1.106","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032883","8.494","0.0004","11.0658","0.0006","12.69","0.0007","84.451","0.003","88.341","0.003","78.305","0.003","1162.48","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H25 F6 P Ru -","- C26 H25 F6 P Ru -","- C52 H50 F12 P2 Ru2 -","2","1","","Rioja, Matias; Hamon, Paul; Roisnel, Thierry; Sinbandhit, Sourisak; Fuentealba, Mauricio; Letelier, Karina; Saillard, Jean-Yves; Vega, Andrés; Hamon, Jean-René","[(η(5)-C5Me5)Ru](+) fragments ligated to polyaromatic hydrocarbons: an experimental and computational approach to pathways for haptotropic migration.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","316","329","10.1039/c4dt02736a","","x-ray","0.71073","MoKα","","0.103","0.0953","","","0.2348","0.2389","","","","","","1.253","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032889","15.427","0.005","11.379","0.004","24.293","0.008","90","","91.044","0.007","90","","4264","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl6 I5 N8 Pd2 -","- C28 H22 Cl6 I4 N8 Pd2 -","- C112 H88 Cl24 I16 N32 Pd8 -","4","0.5","","Maity, Ramananda; van der Meer, Margarethe; Sarkar, Biprajit","Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","46","49","10.1039/c4dt03239j","","","0.71073","MoKα","","0.0627","0.0521","","","0.1266","0.1309","","","","","","1.203","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7032890","9.6689","0.0016","13.324","0.002","22.043","0.004","80.049","0.003","80.289","0.003","71.545","0.004","2633.4","0.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 Cl3 I6 N12 Pd3 -","- C37 H43 Cl3 I6 N12 Pd3 -","- C74 H86 Cl6 I12 N24 Pd6 -","2","1","","Maity, Ramananda; van der Meer, Margarethe; Sarkar, Biprajit","Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","46","49","10.1039/c4dt03239j","","","0.71073","MoKα","","0.0837","0.0708","","","0.1539","0.1598","","","","","","1.199","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032891","15.1846","0.0008","12.8825","0.0006","24.7885","0.0013","90","","99.168","0.002","90","","4787.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 I6 N9 Pd3 -","- C36 H39 I6 N9 Pd3 -","- C144 H156 I24 N36 Pd12 -","4","1","","Maity, Ramananda; van der Meer, Margarethe; Sarkar, Biprajit","Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","46","49","10.1039/c4dt03239j","","","0.71073","MoKα","","0.0434","0.0278","","","0.0468","0.0504","","","","","","1.035","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032892","17.409","0.005","18.998","0.005","24.863","0.005","90","","90","","90","","8223","4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C82 H68 N16 O21 Zn3 -","- C82 H67.5 N16 O21 Zn3 -","- C328 H270 N64 O84 Zn12 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; An, Li-Tao; Shao, Kui-Zhan; Su, Zhong-Min","A novel [4 + 3] interpenetrated net containing 7-fold interlocking pseudo-helical chains and exceptional catenane-like motifs.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2844","2851","10.1039/c4dt02808b","","","0.71069","MoKα","","0.0822","0.0522","","","0.1237","0.1402","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7032893","11.682","0.007","17.097","0.01","12.553","0.007","90","","103.143","0.011","90","","2442","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Cl N2 -","- C25 H37 Cl N2 -","- C100 H148 Cl4 N8 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.1199","0.0791","","","0.1945","0.2263","","","","","","1.032","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032894","10.4915","0.0007","12.16","0.0008","13.879","0.0009","68.813","0.001","68.158","0.001","75.069","0.002","1516.83","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 Cl2 N3 Pd -","- C27 H39 Cl2 N3 Pd -","- C54 H78 Cl4 N6 Pd2 -","2","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.0451","0.0342","","","0.0814","0.0845","","","","","","1.045","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032895","12.857","0.005","21.354","0.005","23.497","0.005","90","0.005","90","0.005","90","0.005","6451","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl5 N3 Pd -","- C29 H42 Cl5 N3 Pd -","- C232 H336 Cl40 N24 Pd8 -","8","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71069","MoKα","","0.048","0.038","","","0.0971","0.1194","","","","","","1.169","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032896","10.2658","0.0018","14.678","0.003","36.568","0.006","90","","97.918","0.003","90","","5457.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H77 Cl4 N5 Pd -","- C54 H77 Cl4 N5 Pd -","- C216 H308 Cl16 N20 Pd4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.075","0.0532","","","0.1376","0.1849","","","","","","1.058","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032897","11.3947","0.0006","12.3625","0.0006","19.4057","0.0009","90","","98.382","0.001","90","","2704.4","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 B2 F8 N6 Pd -","- C54 H78 B2 F8 N6 Pd -","- C108 H156 B4 F16 N12 Pd2 -","2","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.0394","0.0297","","","0.0661","0.0702","","","","","","1.049","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032898","11.417","0.005","12.755","0.005","19.529","0.005","90","0","97.614","0","90","0","2818.8","1.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 B2 F8 N6 Pd -","- C56 H82 B2 F8 N6 Pd -","- C112 H164 B4 F16 N12 Pd2 -","2","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.0777","0.0413","","","0.083","0.1028","","","","","","1.046","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032899","10.4943","0.0018","21.691","0.004","12.734","0.002","90","","90.428","0.003","90","","2898.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 F12 N6 P2 Pd -","- C54 H78 F12 N6 P2 Pd -","- C108 H156 F24 N12 P4 Pd2 -","2","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.0827","0.0725","","","0.2024","0.2164","","","","","","1.09","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032900","11.37","0.002","13.036","0.003","19.856","0.004","90","","96.279","0.003","90","","2925.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 F12 N6 P2 Pd -","- C56 H82 F12 N6 P2 Pd -","- C112 H164 F24 N12 P4 Pd2 -","2","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71073","MoKα","","0.0833","0.0661","","","0.1783","0.1977","","","","","","1.089","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032902","7.1357","0.0009","10.0365","0.0013","12.659","0.0016","92.57","0.002","104.792","0.002","105.483","0.002","838.51","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Fe N O5 -","- C18 H11 Fe N O5 -","- C36 H22 Fe2 N2 O10 -","2","1","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0332","0.0308","","","0.08","0.0818","","","","","","1.061","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032903","10.5432","0.0004","15.2269","0.0005","12.0419","0.0004","90","","91.721","0.001","90","","1932.34","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Fe N O5 -","- C22 H13 Fe N O5 -","- C88 H52 Fe4 N4 O20 -","4","1","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0448","0.0349","","","0.0868","0.0934","","","","","","1.017","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032904","9.1323","0.0006","10.4497","0.0007","11.6044","0.0008","87.7","0.001","82.514","0.001","69.343","0.001","1027.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Fe N O4 -","- C24 H15 Fe N O4 -","- C48 H30 Fe2 N2 O8 -","2","1","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0414","0.033","","","0.0698","0.0737","","","","","","0.945","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032905","15.2083","0.0008","6.545","0.0003","21.7516","0.0012","90","","90","","90","","2165.12","0.19","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","2","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0808","0.0563","","","0.1249","0.1431","","","","","","1.024","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032906","6.492","0.004","21.091","0.013","9.629","0.006","90","","102.311","0.01","90","","1288.1","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 I N O -","- C15 H10 I N O -","- C60 H40 I4 N4 O4 -","4","1","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0548","0.0415","","","0.0973","0.1033","","","","","","1.063","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032907","13.943","0.0015","12.7966","0.0014","7.3613","0.0008","90","","98.394","0.002","90","","1299.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N O -","- C16 H10 F3 N O -","- C64 H40 F12 N4 O4 -","4","1","","Rosas-Sánchez, Alfredo; Toscano, Rubén A; López-Cortés, José G; Ortega-Alfaro, M Carmen","An expedient approach to synthesize fluorescent 3-substituted 4H-quinolizin-4-ones via (η(4)-vinylketene)-Fe(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","578","590","10.1039/c4dt03021d","","","0.71073","MoKα","","0.0929","0.0536","","","0.1076","0.1223","","","","","","1.037","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032908","9.5189","0.0004","31.1912","0.0012","15.2281","0.0007","90","","106.939","0.002","90","","4325.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N6 O4 Zr -","- C46 H62 N6 O4 Zr -","- C184 H248 N24 O16 Zr4 -","4","1","","Chuang, Hui-Ju; Ko, Bao-Tsan","Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","598","607","10.1039/c4dt02774d","","","0.71073","MoKα","","0.0986","0.0776","","","0.2122","0.2232","","","","","","1.023","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032909","10.6166","0.0007","21.7128","0.0013","22.4253","0.0014","105.216","0.004","98.526","0.004","95.426","0.004","4884.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N6 O4 Zr -","- C49 H62 N6 O4 Zr -","- C196 H248 N24 O16 Zr4 -","4","2","","Chuang, Hui-Ju; Ko, Bao-Tsan","Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","598","607","10.1039/c4dt02774d","","","0.71073","MoKα","","0.1766","0.0992","","","0.2525","0.2959","","","","","","1.01","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7032910","10.755","0.0003","13.5703","0.0005","15.8579","0.0006","105.254","0.003","93.273","0.003","99.663","0.003","2188.71","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N8 O2 Zr -","- C44 H60 N8 O2 Zr -","- C88 H120 N16 O4 Zr2 -","2","1","","Chuang, Hui-Ju; Ko, Bao-Tsan","Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","598","607","10.1039/c4dt02774d","","","0.71073","MoKα","","0.0539","0.0393","","","0.0836","0.0899","","","","","","1.021","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032911","15.3623","0.0006","16.4184","0.0007","16.5697","0.0007","102.383","0.004","113.997","0.004","109.584","0.004","3284.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H92 N10 O3 Zr -","- C68 H92 N10 O3 Zr -","- C136 H184 N20 O6 Zr2 -","2","1","","Chuang, Hui-Ju; Ko, Bao-Tsan","Facilely synthesized benzotriazole phenolate zirconium complexes as versatile catalysts for copolymerization of carbon dioxide with cyclohexene oxide and lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","598","607","10.1039/c4dt02774d","","","0.71073","MoKα","","0.0723","0.0539","","","0.1257","0.1367","","","","","","1.002","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032912","12.582","0.003","18.775","0.004","21.716","0.007","90","","116.95","0.02","90","","4573","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co4 N5 O3 S10 -","- C40 H29 Co4 N5 O3 S10 -","- C160 H116 Co16 N20 O12 S40 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.0645","0.0452","","","0.081","0.0871","","","","","","1.087","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032913","7.6972","0.0015","9.965","0.002","12.372","0.003","94.89","0.03","96.17","0.03","110.77","0.03","874.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N4 Ni3 O2 S10 -","- C30 H22 N4 Ni3 O2 S10 -","- C30 H22 N4 Ni3 O2 S10 -","1","0.5","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.0574","0.0487","","","0.1194","0.124","","","","","","1.062","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032914","9.5006","0.0019","16.608","0.003","20.842","0.004","90","","98.14","0.03","90","","3255.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N4 Ni4 S10 -","- C27 H16 N4 Ni4 S10 -","- C108 H64 N16 Ni16 S40 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.1356","0.0983","","","0.1813","0.1949","","","","","","1.184","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032915","13.969","0.003","25.511","0.005","15.81","0.007","90","","120.22","0.02","90","","4868","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 N8 Ni4 S8 -","- C52 H32 N8 Ni4 S8 -","- C208 H128 N32 Ni16 S32 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.1845","0.0875","","","0.1106","0.1329","","","","","","1.074","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032916","15.384","0.003","15.673","0.003","25.018","0.005","90","","103.45","0.03","90","","5867","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N6 Ni6 O2 S15 -","- C42 H24 N6 Ni6 S15 -","- C168 H96 N24 Ni24 S60 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.084","0.0508","","","0.1208","0.1381","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032917","18.737","0.002","18.737","0.002","18.737","0.002","90","","90","","90","","6578.1","1.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C42 H30 Co4 N13 O4 S6 -","- C42 H30 Co4 N13 O4 S6 -","- C168 H120 Co16 N52 O16 S24 -","4","0.333333","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.0617","0.0562","","","0.1318","0.1345","","","","","","1.183","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032918","10.426","0.002","18.052","0.004","19.622","0.006","90","","118.48","0.02","90","","3246.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N8 Ni2 O2 S4 -","- C30 H28 N8 Ni2 O2 S4 -","- C120 H112 N32 Ni8 O8 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.1113","0.0602","","","0.0902","0.1029","","","","","","1.056","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032919","18.546","0.003","18.546","0.003","29.647","0.006","90","","90","","120","","8831","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C47 H54 N12 Ni5 O7 S6 -","- C44 H35.94 N12 Ni5 O2 S6 -","- C264 H215.64 N72 Ni30 O12 S36 -","6","0.166667","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","560","567","10.1039/c4dt03109a","","","0.71073","MoKα","","0.061","0.0548","","","0.1328","0.136","","","","","","1.22","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032920","13.7646","0.0009","15.249","0.002","15.6263","0.0009","83.004","0.007","86.889","0.005","77.038","0.007","3171.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H140 Mo6 N16 O23 Ru2 -","- C102 H140 Mo6 N16 O23 Ru2 -","- C102 H140 Mo6 N16 O23 Ru2 -","1","0.5","","Heussner, Kirsten; Peuntinger, Katrin; Rockstroh, Nils; Rau, Sven; Streb, Carsten","Cluster-controlled dimerisation in supramolecular ruthenium photosensitizer-polyoxometalate systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","330","337","10.1039/c4dt03017f","","","0.71073","MoKα","","0.0746","0.0512","","","0.1204","0.1303","","","","","","1.048","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032921","23.524","0.005","18.492","0.004","19.764","0.004","90","","113.388","0.004","90","","7891","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Mo6 N12 O19 Ru2 -","- C58 H48 Mo6 N12 O19 Ru2 -","- C232 H192 Mo24 N48 O76 Ru8 -","4","0.5","","Heussner, Kirsten; Peuntinger, Katrin; Rockstroh, Nils; Rau, Sven; Streb, Carsten","Cluster-controlled dimerisation in supramolecular ruthenium photosensitizer-polyoxometalate systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","330","337","10.1039/c4dt03017f","","","0.71073","MoKα","","0.0552","0.0395","","","0.1082","0.1138","","","","","","1.056","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032922","16.2245","0.0013","16.8188","0.0018","20.5684","0.0017","73.816","0.008","89.37","0.006","86.799","0.008","5381.7","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H116 Mo5 N14 O25 P2 Ru -","- C82 H116 Mo5 N14 O25 P2 Ru -","- C164 H232 Mo10 N28 O50 P4 Ru2 -","2","1","","Heussner, Kirsten; Peuntinger, Katrin; Rockstroh, Nils; Rau, Sven; Streb, Carsten","Cluster-controlled dimerisation in supramolecular ruthenium photosensitizer-polyoxometalate systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","330","337","10.1039/c4dt03017f","","","0.71073","MoKα","","0.0728","0.0438","","","0.1011","0.1109","","","","","","1.062","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032923","13.1588","0.0005","7.68","0.0002","21.6873","0.0007","90","","106.382","0.0017","90","","2102.73","0.12","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 Br0.5 Cl1.5 Fe N2 O P2 -","- C15 H32 Br0.5 Cl1.5 Fe N2 O P2 -","- C60 H128 Br2 Cl6 Fe4 N8 O4 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Exploring the decomposition pathways of iron asymmetric transfer hydrogenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12119","12127","10.1039/c4dt02799j","","","0.71073","MoKα","","0.0669","0.0435","","","0.1047","0.1162","","","","","","1.019","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032924","8.4983","0.0002","21.6914","0.0008","17.3708","0.0006","90","","93.653","0.001","90","","3195.63","0.18","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 F6 Fe N2 O P3 Ru -","- C25 H44 F6 Fe N2 O P3 Ru -","- C100 H176 F24 Fe4 N8 O4 P12 Ru4 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Exploring the decomposition pathways of iron asymmetric transfer hydrogenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12119","12127","10.1039/c4dt02799j","","","0.71073","MoKα","","0.0843","0.0531","","","0.1228","0.1391","","","","","","1.01","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032925","10.3749","0.0004","11.565","0.0004","16.1355","0.0007","106.437","0.002","101.679","0.002","92.517","0.002","1807.88","0.12","150","2","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H55 B Fe N2 O P2 -","- C39 H55 B Fe N2 O P2 -","- C78 H110 B2 Fe2 N4 O2 P4 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Exploring the decomposition pathways of iron asymmetric transfer hydrogenation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12119","12127","10.1039/c4dt02799j","","","0.71073","MoKα","","0.0654","0.0461","","","0.117","0.1298","","","","","","1.047","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032926","12.9828","0.001","11.5064","0.0009","13.0127","0.001","90","","115.424","0.001","90","","1755.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N4 Nd O11 Zn -","- C12 H13 N4 Nd O11 Zn -","- C48 H52 N16 Nd4 O44 Zn4 -","4","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0578","0.0526","","","0.1412","0.1446","","","","","","1.097","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032927","24.1912","0.0011","9.1774","0.0004","19.0096","0.0009","90","","113.911","0.001","90","","3858.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Ho N4 O12.5 Zn -","- C12 H16 Ho N4 O12.5 Zn -","- C96 H128 Ho8 N32 O100 Zn8 -","8","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0441","0.0407","","","0.1068","0.1094","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032928","24.2346","0.0014","9.1735","0.0005","19.0739","0.0011","90","","114.153","0.001","90","","3869.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Er N4 O12.5 Zn -","- C12 H16 Er N4 O12.5 Zn -","- C96 H128 Er8 N32 O100 Zn8 -","8","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0327","0.0301","","","0.0846","0.0867","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032929","24.1744","0.0013","9.1789","0.0005","18.9734","0.001","90","","114.05","0.001","90","","3844.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N4 O12.5 Yb Zn -","- C12 H16 N4 O12.5 Yb Zn -","- C96 H128 N32 O100 Yb8 Zn8 -","8","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0272","0.0248","","","0.0719","0.0733","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032930","24.339","0.003","9.1443","0.0012","19.064","0.002","90","","114.655","0.001","90","","3856.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Co N4 O12.5 Tb -","- C12 H16 Co N4 O12.5 Tb -","- C96 H128 Co8 N32 O100 Tb8 -","8","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0608","0.0412","","","0.097","0.1101","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032931","24.3237","0.0017","9.1523","0.0006","19.0813","0.0013","90","","114.625","0.001","90","","3861.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Co Dy N4 O12 -","- C12 H15 Co Dy N4 O12 -","- C96 H120 Co8 Dy8 N32 O96 -","8","1","","Feng, Xun; Feng, Yu-Quan; Chen, Jun Jing; Ng, Seik-Weng; Wang, Li-Ya; Guo, Jin-Zhong","Reticular three-dimensional 3d-4f frameworks constructed through substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic properties study.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","804","816","10.1039/c4dt02047b","","","0.71073","MoKα","","0.0485","0.0423","","","0.124","0.1286","","","","","","1.101","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032932","10.1581","0.0003","8.0485","0.0002","15.1612","0.0004","90","","109.362","0.003","90","","1169.44","0.06","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N2 Pd S2 -","- C26 H22 Cl2 N2 Pd S2 -","- C52 H44 Cl4 N4 Pd2 S4 -","2","0.5","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0519","0.0353","","","0.0689","0.0743","","","","","","1.032","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032933","9.9826","0.0003","15.5847","0.0004","8.2241","0.0002","90","","105.269","0.003","90","","1234.31","0.06","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N2 Pd S2 -","- C28 H26 Cl2 N2 Pd S2 -","- C56 H52 Cl4 N4 Pd2 S4 -","2","0.5","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0376","0.0301","","","0.064","0.0669","","","","","","1.07","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032934","10.4334","0.0002","11.1888","0.0003","13.1883","0.0003","78.881","0.002","87.795","0.002","62.256","0.002","1334.66","0.06","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cl4 N P Pd S -","- C26 H22 Cl4 N P Pd S -","- C52 H44 Cl8 N2 P2 Pd2 S2 -","2","1","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0414","0.0344","","","0.083","0.0868","","","","","","1.042","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032935","8.4526","0.0011","10.4377","0.0014","12.96","0.0017","97.823","0.002","97.519","0.002","97.248","0.002","1110.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cl2 N2 P2 Pd S2 -","- C50 H40 Cl2 N2 P2 Pd S2 -","- C50 H40 Cl2 N2 P2 Pd S2 -","1","0.5","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0475","0.0401","","","0.0876","0.0906","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032936","10.8921","0.0007","19.5111","0.0012","11.2482","0.0007","90","","97.91","0.001","90","","2367.7","0.3","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 N P Pd S -","- C26 H22 Cl2 N P Pd S -","- C104 H88 Cl8 N4 P4 Pd4 S4 -","4","1","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0414","0.0364","","","0.0783","0.0804","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032937","10.8975","0.0007","19.6147","0.0013","11.2702","0.0008","90","","97.995","0.001","90","","2385.6","0.3","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 N P Pt S -","- C26 H22 Cl2 N P Pt S -","- C104 H88 Cl8 N4 P4 Pt4 S4 -","4","1","","Filip, I. H.; Gál, E; Lupan, I.; Perde-Schrepler, M; Lönnecke, P; Surducan, M.; Găină, L I; Hey-Hawkins, E; Silaghi-Dumitrescu, L","Tuning the coordination properties of phenothiazine by regioselective introduction of diphenylphosphanyl groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","615","629","10.1039/c4dt02665a","","","0.71073","MoKα","","0.0409","0.0358","","","0.072","0.0739","","","","","","1.162","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032942","11.1671","0.0007","10.855","0.0005","17.3739","0.0007","90","","119.731","0.004","90","","1828.81","0.18","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl2 N2 Sb -","- C17 H21 Cl2 N2 Sb -","- C68 H84 Cl8 N8 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor","Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","395","400","10.1039/c4dt02692f","","","0.71073","MoKα","","0.0295","0.0214","","","0.0504","0.0574","","","","","","1.139","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032943","19.8552","0.0004","8.2449","0.0003","14.0093","0.0006","90","","130.412","0.004","90","","1746.19","0.15","150","1","150","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14.5 H23 Cl3 N3 Sb -","- C14.5 H23 Cl3 N3 Sb -","- C58 H92 Cl12 N12 Sb4 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor","Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","395","400","10.1039/c4dt02692f","","","0.71073","MoKα","","0.0172","0.0162","","","0.0419","0.0427","","","","","","1.146","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7032944","8.702","0.0005","20.6791","0.0014","12.148","0.0007","90","","132.669","0.005","90","","1607.3","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Bi Cl2 N3 -","- C14 H22 Bi Cl2 N3 -","- C56 H88 Bi4 Cl8 N12 -","4","1","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor","Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","395","400","10.1039/c4dt02692f","","","0.71073","MoKα","","0.0474","0.0419","","","0.0964","0.0995","","","","","","1.216","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032945","8.68","0.0007","26.242","0.002","16.636","0.0012","90","","113.379","0.008","90","","3478.3","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Cl4 N3 Sb -","- C11 H20 Cl4 N3 Sb -","- C88 H160 Cl32 N24 Sb8 -","8","2","","Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor","Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","395","400","10.1039/c4dt02692f","","","0.71073","MoKα","","0.0368","0.0313","","","0.0707","0.074","","","","","","1.18","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032946","9.121","0.005","28.247","0.005","9.246","0.005","90","","93.306","0.005","90","","2378.2","1.9","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl F6 Ir N4 P -","- C20 H27 Cl F6 Ir N4 P -","- C80 H108 Cl4 F24 Ir4 N16 P4 -","4","1","","Hohloch, Stephan; Kaiser, Selina; Duecker, Fenja Leena; Bolje, Aljoša; Maity, Ramananda; Košmrlj, Janez; Sarkar, Biprajit","Catalytic oxygenation of sp3 ""C-H"" bonds with Ir(III) complexes of chelating triazoles and mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","686","693","10.1039/c4dt02879a","","","0.71069","MoKα","","0.0605","0.0399","","","0.0823","0.089","","","","","","1.092","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032947","37.887","0.005","8.061","0.005","20.793","0.005","90","","111.38","0.005","90","","5913","4","140","2","140","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H120 Cl16 F24 Ir4 N24 O P4 -","- C80 H120 Cl16 F24 Ir4 N24 O P4 -","- C160 H240 Cl32 F48 Ir8 N48 O2 P8 -","2","0.25","","Hohloch, Stephan; Kaiser, Selina; Duecker, Fenja Leena; Bolje, Aljoša; Maity, Ramananda; Košmrlj, Janez; Sarkar, Biprajit","Catalytic oxygenation of sp3 ""C-H"" bonds with Ir(III) complexes of chelating triazoles and mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","686","693","10.1039/c4dt02879a","","","0.71069","MoKα","","0.0673","0.0429","","","0.0931","0.1053","","","","","","1.058","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032948","7.6814","0.0014","12.408","0.002","16.186","0.003","78.662","0.004","85.451","0.004","72.021","0.004","1438.4","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H33 Cl3 F6 Ir N6 P -","- C21 H33 Cl3 F6 Ir N6 P -","- C42 H66 Cl6 F12 Ir2 N12 P2 -","2","1","","Hohloch, Stephan; Kaiser, Selina; Duecker, Fenja Leena; Bolje, Aljoša; Maity, Ramananda; Košmrlj, Janez; Sarkar, Biprajit","Catalytic oxygenation of sp3 ""C-H"" bonds with Ir(III) complexes of chelating triazoles and mesoionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","686","693","10.1039/c4dt02879a","","","0.71073","MoKα","","0.059","0.0446","","","0.1128","0.1389","","","","","","1.16","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032949","29.3602","0.0005","61.334","0.002","26.7917","0.0003","90","","98.955","0.001","90","","47657.8","1.8","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C242 H235.5 Er F27 Ga2 N68.5 O27 S9 -","- C160 H130 Er F18 Ga2 N33.5 O18.5 S6 -","- C1280 H1040 Er8 F144 Ga16 N268 O148 S48 -","8","2","","Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2529","2540","10.1039/c4dt02336f","","","1.54184","CuKα","","0.1816","0.13","","","0.2972","0.3162","","","","","","1.444","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7032950","26.4289","0.0003","26.4289","0.0003","36.9113","0.0004","90","","90","","120","","22327.9","0.4","100","2","100","2","","","","","","","","8","P -3 1 m","-P 3 2","162","","","","- C192 H220 Cr Er F18 N50 O18 S6 -","- C108 H90 Cr Er N24 -","- C432 H360 Cr4 Er4 N96 -","4","0.333333","","Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2529","2540","10.1039/c4dt02336f","","","0.8231","synchrotron","","0.062","0.0445","","","0.1195","0.1248","","","","","","0.974","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032951","37.7598","0.0017","10.7635","0.0003","21.245","0.0006","90","","104.773","0.004","90","","8349.1","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H48 Dy3 Fe2 N9 O26.5 -","- C21.5 H48 Dy3 Fe2 N9 O26.5 -","- C172 H384 Dy24 Fe16 N72 O212 -","8","1","","Li, Han; Shi, Wei; Niu, Zheng; Zhou, Jing-Min; Xiong, Gang; Li, Lei-Lei; Cheng, Peng","Remarkable Ln(III)3Fe(III)2 clusters with magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","468","471","10.1039/c4dt02871f","","","0.71073","MoKα","","0.0518","0.0421","","","0.1006","0.1082","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032952","37.7638","0.0012","10.7465","0.0004","21.224","0.0008","90","","104.809","0.004","90","","8327.2","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H48 Fe2 Gd3 N9 O26.5 -","- C21.5 H48 Fe2 Gd3 N9 O26.5 -","- C172 H384 Fe16 Gd24 N72 O212 -","8","1","","Li, Han; Shi, Wei; Niu, Zheng; Zhou, Jing-Min; Xiong, Gang; Li, Lei-Lei; Cheng, Peng","Remarkable Ln(III)3Fe(III)2 clusters with magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","468","471","10.1039/c4dt02871f","","","0.71073","MoKα","","0.0569","0.0374","","","0.0688","0.0772","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032953","12.4693","0.0007","13.2851","0.0007","13.1755","0.0007","112.301","0.0011","105.397","0.0012","97.7284","0.0012","1877.97","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","compound 1","","","- C28 H36 N6 O12 Zn -","- C28 H30 N6 O12.198 Zn -","- C56 H60 N12 O24.396 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh","Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","62","65","10.1039/c4dt02169j","","","0.71073","MoKα","","0.1023","0.087","","","0.2423","0.2544","","","","","","1.104","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032954","12.565","0.0008","13.2721","0.0009","13.2881","0.0009","111.994","0.0014","107.553","0.0014","97.9667","0.0015","1878.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","compound 2","","","- C32.5 H36 N6 O12 Zn -","- C32.5 H36 N6 O12 Zn -","- C65 H72 N12 O24 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh","Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","62","65","10.1039/c4dt02169j","","","0.71073","MoKα","","0.1007","0.0768","","","0.2112","0.2267","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032955","12.4881","0.0008","13.2558","0.0008","13.2738","0.0008","112.019","0.0015","107.453","0.0015","98.2194","0.0016","1860.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C60 H70 N12 O22 Zn2 -","- C60 H68 N12 O22 Zn2 -","- C60 H68 N12 O22 Zn2 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh","Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","62","65","10.1039/c4dt02169j","","","0.71073","MoKα","","0.0908","0.071","","","0.1987","0.2117","","","","","","1.099","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032956","21.341","0.005","6.9041","0.0014","21.272","0.004","90","","103.3","0.03","90","","3050.2","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O6 -","- C34 H30 N6 O6 -","- C136 H120 N24 O24 -","4","0.5","","Liu, Jian-Jun; Hong, Yu-Jian; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Lone pair-π interaction-induced generation of non-interpenetrated and photochromic cuboid 3-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","653","658","10.1039/c4dt03124e","","","0.71073","MoKα","","0.0943","0.0603","","","0.16","0.1797","","","","","","1.042","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032957","19.702","0.004","19.702","0.004","7.4311","0.0015","90","","90","","90","","2884.5","1","113","2","113","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C6 H1.45 F0.75 N O Si0.13 Zn0.13 -","- C6.02 H1.46 F0.75 N O Si0.125 Zn0.125 -","- C48.16 H11.68 F6 N8 O8 Si Zn -","8","0.5","","Liu, Jian-Jun; Hong, Yu-Jian; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Lone pair-π interaction-induced generation of non-interpenetrated and photochromic cuboid 3-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","653","658","10.1039/c4dt03124e","","","0.71073","MoKα","","0.0642","0.0641","","","0.2035","0.2038","","","","","","1.076","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032958","19.739","0.003","19.739","0.003","7.4768","0.0015","90","","90","","90","","2913.2","0.9","113","2","113","2","","","","","","","","8","P 4/m m m","-P 4 2","123","","","","- C6 H3 F0.75 I0.2 N O Si0.13 Zn0.13 -","- C6 H3 F0.75 I0.205 N O Si0.125 Zn0.125 -","- C48 H24 F6 I1.64 N8 O8 Si Zn -","8","0.5","","Liu, Jian-Jun; Hong, Yu-Jian; Guan, Ying-Fang; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Lone pair-π interaction-induced generation of non-interpenetrated and photochromic cuboid 3-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","653","658","10.1039/c4dt03124e","","","0.71073","MoKα","","0.11","0.1088","","","0.3423","0.3465","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032959","13.138","0.002","14.569","0.002","14.778","0.002","61.985","0.002","87.646","0.002","87.263","0.002","2493.8","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Mo24 N12 Na2 O83 P2 Zn8 -","- C32 H28 Mo24 N12 Na2 O83 P2 Zn8 -","- C32 H28 Mo24 N12 Na2 O83 P2 Zn8 -","1","0.5","","Miao, Hao; Hu, Gonghao; Guo, Jiuyu; Wan, Hongxiang; Mei, Hua; Zhang, Yu; Xu, Yan","Syntheses, structures and properties of two new organic-inorganic hybrid materials based on ε-Zn Keggin units {ε-PMo(V)8Mo(VI)4O(40-x)(OH)(x)Zn4}.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","694","700","10.1039/c4dt02993c","","","0.71073","MoKα","","0.074","0.0425","","","0.1058","0.1161","","","","","","1.024","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032960","13.571","0.003","23.527","0.004","18.041","0.003","90","","106.486","0.002","90","","5523.4","1.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Mo12 N9 O42 P Zn4 -","- C24 H21 Mo12 N9 O42 P Zn4 -","- C96 H84 Mo48 N36 O168 P4 Zn16 -","4","1","","Miao, Hao; Hu, Gonghao; Guo, Jiuyu; Wan, Hongxiang; Mei, Hua; Zhang, Yu; Xu, Yan","Syntheses, structures and properties of two new organic-inorganic hybrid materials based on ε-Zn Keggin units {ε-PMo(V)8Mo(VI)4O(40-x)(OH)(x)Zn4}.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","694","700","10.1039/c4dt02993c","","","0.71073","MoKα","","0.0952","0.0492","","","0.0981","0.1105","","","","","","1.004","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032961","9.6223","0.0008","9.0222","0.0008","10.1966","0.0013","90","","100.638","0.006","90","","870","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 B9 Co -","- C10 H24 B9 Co -","- C20 H48 B18 Co2 -","2","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","1.54184","CuKα","","0.086","0.0592","","","0.1252","0.1503","","","","","","1.125","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032962","8.3422","0.0004","11.7052","0.0006","13.3262","0.001","85.485","0.005","86.826","0.005","76.377","0.004","1259.82","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H42 B8 Co2 -","- C20 H42 B8 Co2 -","- C40 H84 B16 Co4 -","2","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","0.71073","MoKα","","0.1161","0.0643","","","0.1342","0.1642","","","","","","1.045","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032963","8.7762","0.0002","18.3446","0.0005","20.7153","0.0006","90","","93.051","0.002","90","","3330.35","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 B6 Co2 Fe2 O6 -","- C26 H40 B6 Co2 Fe2 O6 -","- C104 H160 B24 Co8 Fe8 O24 -","4","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","0.71073","MoKα","","0.0429","0.0343","","","0.0884","0.0947","","","","","","1.045","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032964","9.5232","0.0002","19.2392","0.0005","11.2114","0.0003","90","","112.862","0.001","90","","1892.77","0.08","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H33 B3 Co2 O11 Ru4 -","- C31 H33 B3 Co2 O11 Ru4 -","- C62 H66 B6 Co4 O22 Ru8 -","2","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","0.71073","MoKα","","0.0303","0.0259","","","0.0557","0.058","","","","","","1.022","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032965","10.456","0.0003","21.0575","0.0006","11.1328","0.0002","90","","109.322","0.001","90","","2313.12","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 B Ir2 O4 -","- C20 H30 B Ir2 O4 -","- C80 H120 B4 Ir8 O16 -","4","1","","Barik, Subrat Kumar; Roy, Dipak Kumar; Ghosh, Sundargopal","Chemistry of group 9 dimetallaborane analogues of octaborane(12).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","669","676","10.1039/c4dt03027c","","","0.71073","MoKα","","0.0486","0.0364","","","0.0945","0.102","","","","","","1.01","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032966","29.511","0.005","29.511","0.005","9.591","0.004","90","","90","","120","","7234","3","296","2","296","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H32 Fe3 Mn3 N18 O4 -","- C42 H30 Fe3 Mn3 N18 O3 -","- C252 H180 Fe18 Mn18 N108 O18 -","6","","","Zhuang, Peng-Fei; Liu, Tao; Xie, Xian-Hui; He, Cheng; Duan, Chun-Ying","A cyano-bridged tubular coordination polymer with dominant ferromagnetic interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","464","467","10.1039/c4dt02056a","","","0.71073","MoKα","","0.0738","0.0494","","","0.1188","0.1278","","","","","","1.051","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032967","12.089","0.003","15.277","0.003","18.575","0.004","90","","97.53","0.003","90","","3400.9","1.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H2LDIP","","- C32 H40 Cl3 N3 S2 -","- C32 H40 Cl3 N3 S2 -","- C128 H160 Cl12 N12 S8 -","4","1","","Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki","Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1017","1022","10.1039/c4dt03128h","","","0.7107","MoKα","","","0.0846","","","","0.1941","","","","","","1.074","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032968","12.5723","0.0019","15.106","0.003","18.852","0.003","87.16","0.004","84.309","0.004","87.522","0.004","3555.6","1.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","[Fe(H2LDIP)2](2Br)","","- C68 H96 Br2 Fe N6 O3 S4 -","- C68 H96 Br2 Fe N6 O3 S4 -","- C136 H192 Br4 Fe2 N12 O6 S8 -","2","1","","Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki","Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1017","1022","10.1039/c4dt03128h","","","0.7107","MoKα","","","0.0568","","","","0.1459","","","","","","1.035","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032969","18.161","0.002","15.2047","0.0016","20.041","0.003","90","","111.436","0.0011","90","","5151.2","1.1","153","","153","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","[Fe(NHC)(LDPM)]","","- C121 H127 Fe N5 S2 -","- C121 H127 Fe N5 S2 -","- C242 H254 Fe2 N10 S4 -","2","0.5","","Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki","Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1017","1022","10.1039/c4dt03128h","","","0.7107","MoKα","","","0.0552","","","","0.1556","","","","","","1.079","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032970","8.5316","0.0001","17.3689","","23.9404","0.0002","73.322","0.004","84.257","0.004","79.592","0.004","3338.06","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","[Fe(NO)2(LDPM)]","","- C78 H67 Cl2 Fe N5 O2 S2 -","- C78 H67 Cl2 Fe N5 O2 S2 -","- C156 H134 Cl4 Fe2 N10 O4 S4 -","2","1","","Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki","Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1017","1022","10.1039/c4dt03128h","","","0.7107","MoKα","","","0.052","","","","0.1453","","","","","","1.052","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032971","10.7","0.005","22.813","0.005","24.357","0.005","90","0.005","98.046","0.005","90","0.005","5887","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N8 O10 Sn4 -","- C120 H132 N8 O10 Sn4 -","- C240 H264 N16 O20 Sn8 -","2","0.5","","Zhao, Xuesong; Liu, Jie; Wang, Hui; Zou, Yan; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Synthesis, crystal structures and two-photon absorption properties of triphenylamine cyanoacetic acid derivative and its organooxotin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","701","709","10.1039/c4dt02251c","","","0.71069","MoKα","","0.1359","0.0685","","","0.1614","0.194","","","","","","1.037","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032972","11.388","0.005","18.873","0.005","17.688","0.005","90","0.005","90","0.005","90","0.005","3802","2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C43 H37 N3 O3 Sn -","- C43 H32 N3 O3 Sn -","- C172 H128 N12 O12 Sn4 -","4","1","","Zhao, Xuesong; Liu, Jie; Wang, Hui; Zou, Yan; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Synthesis, crystal structures and two-photon absorption properties of triphenylamine cyanoacetic acid derivative and its organooxotin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","701","709","10.1039/c4dt02251c","","","0.71069","MoKα","","0.046","0.0375","","","0.1038","0.1136","","","","","","1.065","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032973","18.952","0.003","32.449","0.005","22.172","0.003","90","","100.486","0.002","90","","13407","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H168 N8 O8 Sn4 -","- C136 H160.5 N8 O8 Sn4 -","- C544 H642 N32 O32 Sn16 -","4","1","","Zhao, Xuesong; Liu, Jie; Wang, Hui; Zou, Yan; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Synthesis, crystal structures and two-photon absorption properties of triphenylamine cyanoacetic acid derivative and its organooxotin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","701","709","10.1039/c4dt02251c","","","0.71073","MoKα","","0.1084","0.0602","","","0.1838","0.2096","","","","","","1.03","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032974","25.202","0.005","13.227","0.005","21.533","0.005","90","0.005","123.633","0.005","90","0.005","5976","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H70 Cu6 N12 O88 P2 W22 -","- C34 H50 Cu6 N12 O78 P2 W22 -","- C68 H100 Cu12 N24 O156 P4 W44 -","2","0.25","","Tian, Ai-xiang; Ning, Ya-li; Ying, Jun; Hou, Xue; Li, Tian-jiao; Wang, Xiu-li","Three multi-nuclear clusters and one infinite chain induced by a pendant 4-butyl-1H-pyrazole ligand for modification of Keggin anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","386","394","10.1039/c4dt02821j","","","0.71069","MoKα","","0.0556","0.0395","","","0.1191","0.1296","","","","","","0.836","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032975","17.1085","0.0006","21.8112","0.0008","12.977","0.0005","90","","101.288","0.001","90","","4748.8","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cu2.5 Mo11.5 N4 O45 P -","- C14 H22 Cu2.5 Mo11.5 N4 O45 P -","- C56 H88 Cu10 Mo46 N16 O180 P4 -","4","1","","Tian, Ai-xiang; Ning, Ya-li; Ying, Jun; Hou, Xue; Li, Tian-jiao; Wang, Xiu-li","Three multi-nuclear clusters and one infinite chain induced by a pendant 4-butyl-1H-pyrazole ligand for modification of Keggin anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","386","394","10.1039/c4dt02821j","","","0.71073","MoKα","","0.0517","0.0353","","","0.1138","0.1288","","","","","","0.926","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032976","12.053","0.005","12.552","0.005","19.682","0.005","83.81","0.005","85.037","0.005","77.963","0.005","2888.9","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H33 Ag3 N6 O44 Si W12 -","- C17 H25 Ag3 N6 O40 Si W12 -","- C34 H50 Ag6 N12 O80 Si2 W24 -","2","1","","Tian, Ai-xiang; Ning, Ya-li; Ying, Jun; Hou, Xue; Li, Tian-jiao; Wang, Xiu-li","Three multi-nuclear clusters and one infinite chain induced by a pendant 4-butyl-1H-pyrazole ligand for modification of Keggin anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","386","394","10.1039/c4dt02821j","","","0.71069","MoKα","","0.1174","0.0719","","","0.1671","0.1854","","","","","","0.978","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032977","11.928","0.005","12.117","0.005","18.608","0.005","94.672","0.005","107.07","0.005","110.939","0.005","2348.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H56 Ag5 Mo24 N8 O86 P2 -","- C28 H44 Ag5 Mo24 N8 O86 P2 -","- C28 H44 Ag5 Mo24 N8 O86 P2 -","1","0.5","","Tian, Ai-xiang; Ning, Ya-li; Ying, Jun; Hou, Xue; Li, Tian-jiao; Wang, Xiu-li","Three multi-nuclear clusters and one infinite chain induced by a pendant 4-butyl-1H-pyrazole ligand for modification of Keggin anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","386","394","10.1039/c4dt02821j","","","0.71069","MoKα","","0.0404","0.033","","","0.0894","0.093","","","","","","0.982","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032978","9.0297","0.0005","10.6379","0.0006","40.142","0.002","90","","92.521","0.002","90","","3852.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Cl4 Ir O2 P2 S -","- C41 H39 Cl4 Ir O2 P2 S -","- C164 H156 Cl16 Ir4 O8 P8 S4 -","4","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.0441","0.0359","","","0.0709","0.0733","","","","","","1.134","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032979","14.7866","0.0007","17.6171","0.0008","30.571","0.0015","90","","90","","90","","7963.7","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H41 Ir N4 O2 P2 -","- C47 H41 Ir N4 O2 P2 -","- C376 H328 Ir8 N32 O16 P16 -","8","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.0371","0.0267","","","0.0627","0.0732","","","","","","1.119","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032980","13.2294","0.0006","22.1241","0.001","14.3469","0.0007","90","","98.5169","0.001","90","","4152.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.21 H39.41 Cl2.41 Ir N4 O3 P2 -","- C42.203 H39.406 Cl2.406 Ir N4 O3 P2 -","- C168.812 H157.624 Cl9.624 Ir4 N16 O12 P8 -","4","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.052","0.0437","","","0.1036","0.1079","","","","","","1.056","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032981","15.0395","0.0006","20.7656","0.0009","14.4577","0.0006","90","","99.821","0.0009","90","","4449","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H53 Ir N4 O3 P2 -","- C48 H53 Ir N4 O3 P2 -","- C192 H212 Ir4 N16 O12 P8 -","4","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.0448","0.0345","","","0.0892","0.0979","","","","","","1.149","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032982","11.6481","0.0005","21.5974","0.001","16.3516","0.0007","90","","101.474","0.0011","90","","4031.3","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 Cl2 Ir N4 O3 P2 -","- C43 H41 Cl2 Ir N4 O3 P2 -","- C172 H164 Cl8 Ir4 N16 O12 P8 -","4","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.06","0.0399","","","0.0745","0.0816","","","","","","1.012","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032983","12.3478","0.001","12.8587","0.0011","15.8042","0.0013","96.292","0.002","109.712","0.002","114.102","0.002","2065.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H88 Ir2 N8 Na2 O10 P4 -","- C86 H88 Ir2 N8 Na2 O10 P4 -","- C86 H88 Ir2 N8 Na2 O10 P4 -","1","0.5","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.0416","0.0345","","","0.067","0.0699","","","","","","1.01","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032984","11.9933","0.0011","15.2025","0.0013","19.8114","0.0017","105.282","0.001","101.371","0.002","107.542","0.001","3168.6","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H72 As2 Ho4 K13 Li O118 W18 -","- C16 H8 As2 Ho4 K13 O118 W18 -","- C16 H8 As2 Ho4 K13 O118 W18 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.0671","0.0483","","","0.1185","0.1294","","","","","","1.02","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032985","11.9777","0.0011","15.1643","0.0014","19.7826","0.0018","105.243","0.001","101.407","0.001","107.654","0.002","3149.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H72 As2 Er4 K13 Li O118 W18 -","- C16 H8 As2 Er4 K13 O118 W18 -","- C16 H8 As2 Er4 K13 O118 W18 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.0491","0.0401","","","0.099","0.104","","","","","","1.044","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032986","11.939","0.003","16.657","0.004","17.412","0.004","98.755","0.004","99.642","0.004","90.097","0.004","3372.7","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H90 As2 K9 Li O125 Tm4 W18 -","- C16 H8 As2 K9 O114 Tm4 W18 -","- C16 H8 As2 K9 O114 Tm4 W18 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.0702","0.0524","","","0.1416","0.1546","","","","","","1.03","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032987","11.8725","0.0007","16.5529","0.0009","17.2796","0.001","98.693","0.001","99.748","0.001","90.177","0.001","3307","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H86 As2 K9 Li O123 W18 Yb4 -","- C16 H8 As2 K9 O114 W18 Yb4 -","- C16 H8 As2 K9 O114 W18 Yb4 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.06","0.0461","","","0.1185","0.127","","","","","","1.037","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032988","11.879","0.003","16.555","0.004","17.28","0.004","98.673","0.004","99.747","0.004","90.172","0.004","3309.5","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H86 As2 K9 Li Lu4 O123 W18 -","- C16 H8 As2 K9 Lu4 O114 W18 -","- C16 H8 As2 K9 Lu4 O114 W18 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.0631","0.048","","","0.1269","0.1371","","","","","","1.036","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032989","11.9045","0.0012","16.618","0.0017","17.4108","0.0017","98.786","0.002","99.42","0.002","90.08","0.002","3356.8","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H92 As2 K9 Li O126 W18 Y4 -","- C16 H8 As2 K9 O114 W18 Y4 -","- C16 H8 As2 K9 O114 W18 Y4 -","1","0.5","","Wang, Yuan; Sun, Xiaopeng; Li, Suzhi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis and magnetic properties of tartrate-bridging rare-earth-containing polytungstoarsenate aggregates from an adaptive precursor [As2W19O67(H2O)](14-).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","733","738","10.1039/c4dt01703j","","","0.71073","MoKα","","0.0845","0.0554","","","0.1484","0.1669","","","","","","1.027","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032990","28.3724","0.0011","28.3724","0.0011","59.4801","0.0018","90","","90","","120","","41466","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C300 H204 N24 O54 Pd6 S6 -","- C300 H204 N24 O54 Pd6 S6 -","- C900 H612 N72 O162 Pd18 S18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.132","0.0898","","","0.224","0.2398","","","","","","0.944","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032991","45.1264","0.0007","45.1264","0.0007","27.6353","0.0004","90","","90","","120","","48736.7","1.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C288 H192 N48 O24 Pd6 -","- C288 H192 N48 O24 Pd6 -","- C864 H576 N144 O72 Pd18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.1268","0.0549","","","0.1279","0.1348","","","","","","1.036","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032992","45.2042","0.0007","45.2042","0.0007","27.6805","0.0004","90","","90","","120","","48984.9","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C291 H183 N36 O36 Pd6 -","- C291 H183 N36 O36 Pd6 -","- C873 H549 N108 O108 Pd18 -","3","0.166667","","Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang","Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","787","794","10.1039/c4dt02408g","","","0.71073","MoKα","","0.1942","0.0626","","","0.1531","0.1843","","","","","","0.852","","","","has coordinates,has disorder","180035","2020-10-21","18:00:00",""
"7032993","9.2449","0.0018","23.135","0.005","13.238","0.003","90","","106.95","0.03","90","","2708.4","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H80 N4 S2 Si6 Yb2 -","- C42 H80 N4 S2 Si6 Yb2 -","- C84 H160 N8 S4 Si12 Yb4 -","2","0.5","","Li, Jianfeng; Hao, Jingjun; Cui, Chunming","Reactivity of ytterbium(II) silylamide supported by a pyrrolyl-cyclopentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","767","772","10.1039/c4dt03008g","","","0.71073","MoKα","","0.0369","0.031","","","0.0584","0.061","","","","","","1.107","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032994","12.621","0.003","13.59","0.003","19.916","0.004","90","","95.21","0.03","90","","3401.9","1.3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N O Si Yb -","- C37 H51 N O Si Yb -","- C148 H204 N4 O4 Si4 Yb4 -","4","1","","Li, Jianfeng; Hao, Jingjun; Cui, Chunming","Reactivity of ytterbium(II) silylamide supported by a pyrrolyl-cyclopentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","767","772","10.1039/c4dt03008g","","","0.71073","MoKα","","0.0294","0.0254","","","0.0576","0.0593","","","","","","1.058","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032995","13.088","0.003","15.696","0.003","8.9682","0.0018","90","","91.92","0.03","90","","1841.3","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N4 Si2 Yb2 -","- C38 H52 N4 Si2 Yb2 -","- C76 H104 N8 Si4 Yb4 -","2","0.5","","Li, Jianfeng; Hao, Jingjun; Cui, Chunming","Reactivity of ytterbium(II) silylamide supported by a pyrrolyl-cyclopentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","767","772","10.1039/c4dt03008g","","","0.71073","MoKα","","0.0638","0.0491","","","0.132","0.1472","","","","","","0.962","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032996","8.209","0.0005","9.1718","0.0006","20.3772","0.0017","90","","90","","90","","1534.23","0.19","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cu N3 O2 -","- C17 H19 Cu N3 O2 -","- C68 H76 Cu4 N12 O8 -","4","1","","Bhattacharyya, Anik; Ghosh, Biswa Nath; Herrero, Santiago; Rissanen, Kari; Jiménez-Aparicio, Reyes; Chattopadhyay, Shouvik","Formation of a novel ferromagnetic end-to-end cyanate bridged homochiral helical copper(II) Schiff base complex via spontaneous symmetry breaking.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","493","497","10.1039/c4dt03166k","","","0.71073","MoKα","","0.0334","0.0311","","","0.0688","0.0715","","","","","","1.049","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032997","7.6474","0.0015","17.448","0.004","6.9242","0.0014","90","","90","","90","","923.9","0.3","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Br3 Cd N S -","- C3 H4 Br3 Cd N S -","- C12 H16 Br12 Cd4 N4 S4 -","4","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10614","10620","10.1039/c4dt02875a","","","0.71073","MoKα","","0.0405","0.0352","","","0.0778","0.0802","","","","","","1.037","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032998","7.528","0.003","17.448","0.01","6.884","0.005","90","","90","","90","","904.2","0.9","163","2","163","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Br3 Cd N S -","- C3 H4 Br3 Cd N S -","- C12 H16 Br12 Cd4 N4 S4 -","4","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10614","10620","10.1039/c4dt02875a","","","0.71073","MoKα","","0.0481","0.042","","","0.099","0.1026","","","","","","1.024","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032999","17.468","0.004","7.484","0.005","6.882","0.004","90","","90.53","0.04","90","","899.6","0.8","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3 H4 Br3 Cd N S -","- C3 H4 Br3 Cd N S -","- C12 H16 Br12 Cd4 N4 S4 -","4","0.5","","Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Phase transitions and dielectric properties of a hexagonal ABX3 perovskite-type organic-inorganic hybrid compound: [C3H4NS][CdBr3].","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10614","10620","10.1039/c4dt02875a","","","0.71073","MoKα","","0.0817","0.0623","","","0.1497","0.1599","","","","","","1.015","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033000","17.2078","0.0005","17.2078","0.0005","17.2078","0.0005","60.523","0.001","60.523","0.001","60.523","0.001","3645.55","0.19","120","2","120","2","","","","","","","","5","R -3 :R","-P 3*","148","(MeClamp)Mo . 3 C6H6","κ7-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]molybdenum(VI) tribenzene solvate","","- C81 H96 Mo N4 O3 -","- C81 H96 Mo N4 O3 -","- C162 H192 Mo2 N8 O6 -","2","0.333333","","Marshall-Roth, Travis; Brown, Seth N.","Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","677","685","10.1039/c4dt02936d","","","0.71073","MoKα","","0.036","0.0308","","","0.0826","0.0874","","","","","","0.969","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033001","20.1764","0.0012","46.334","0.003","12.7362","0.0007","90","","94.734","0.004","90","","11865.9","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(MeClamp)Mo . CH3CN","κ7-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]molybdenum(VI) acetonitrile solvate","","- C65 H81 Mo N5 O3 -","- C65 H81 Mo N5 O3 -","- C520 H648 Mo8 N40 O24 -","8","2","","Marshall-Roth, Travis; Brown, Seth N.","Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate).","Dalton transactions (Cambridge, England : 2003)","2015","44","2","677","685","10.1039/c4dt02936d","","","0.71073","MoKα","","0.1305","0.0574","","","0.1137","0.14","","","","","","0.986","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033002","48.798","0.01","16.05","0.003","33.44","0.007","90","","120.22","0.03","90","","22631","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cadmium complex","","- C156 H192 Cd2 N16 O16.12 -","- C156 H192 Cd2 N16 O16.12 -","- C624 H768 Cd8 N64 O64.48 -","4","0.5","","Sreenivasu Mummidivarapu, V. V.; Hinge, Vijaya Kumar; Rao, Chebrolu Pulla","Interaction of a dinuclear fluorescent Cd(II) complex of calix[4]arene conjugate with phosphates and its applicability in cell imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1130","1141","10.1039/c4dt01726a","","","0.71073","MoKα","","0.1091","0.0931","","","0.2735","0.2892","","","","","","1.025","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033003","33.44","0.09","16.05","0.04","43.09","0.01","90","","101.89","0.05","90","","22631","8","100","2","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C156 H196 Cd2 N16 O16 -","- C156 H196 Cd2 N16 O16 -","- C624 H784 Cd8 N64 O64 -","4","0.5","","Sreenivasu Mummidivarapu, V. V.; Hinge, Vijaya Kumar; Rao, Chebrolu Pulla","Interaction of a dinuclear fluorescent Cd(II) complex of calix[4]arene conjugate with phosphates and its applicability in cell imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1130","1141","10.1039/c4dt01726a","","","0.71075","MoKα","","0.1149","0.0976","","","0.2982","0.3148","","","","","","1.049","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033004","12.618","0.005","11.279","0.005","19.871","0.005","90","","122.834","0.015","90","","2376.2","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Mg2 N4 -","- C54 H72 Mg2 N4 -","- C108 H144 Mg4 N8 -","2","0.5","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.0633","0.046","","","0.1064","0.1166","","","","","","1.047","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033005","12.896","0.005","16.81","0.005","18.609","0.005","90","","105.741","0.005","90","","3883","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Mg2 N4 -","- C42 H56 Mg2 N4 -","- C168 H224 Mg8 N16 -","4","1","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.0527","0.0415","","","0.1043","0.1121","","","","","","1.078","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033006","20.441","0.005","11.399","0.005","27.842","0.005","90","","90","","90","","6487","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H50 Mg N4 -","- C32 H50 Mg N4 -","- C256 H400 Mg8 N32 -","8","1","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.2029","0.0939","","","0.2485","0.2439","","","","","","1.059","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033007","17.809","0.005","19.577","0.005","17.603","0.005","90","","98.479","0.005","90","","6070","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H94 Mg N4 -","- C73 H94 Mg N4 -","- C292 H376 Mg4 N16 -","4","0.5","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.0557","0.0462","","","0.1276","0.1356","","","","","","0.945","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033008","11.569","0.005","12.971","0.005","16.674","0.005","100.146","0.005","93.771","0.005","100.24","0.005","2411.6","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 Mg N6 -","- C54 H72 Mg N6 -","- C108 H144 Mg2 N12 -","2","1","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.0903","0.0925","","","0.1705","0.2408","","","","","","0.915","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033009","15.311","0.005","16.053","0.005","18.041","0.005","90","","92.921","0.005","90","","4428","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Mg N4 -","- C50 H64 Mg N4 -","- C200 H256 Mg4 N16 -","4","1","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.0897","0.0822","","","0.2295","0.2497","","","","","","1.024","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033010","11.523","0.005","12.684","0.005","15.762","0.005","79.062","0.005","73.256","0.005","67.014","0.005","2023.1","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H116 Mg2 N4 O2 -","- C94 H116 Mg2 N4 O2 -","- C94 H116 Mg2 N4 O2 -","1","0.5","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.1286","0.0688","","","0.1703","0.2386","","","","","","1.155","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033012","9.902","0.002","11.171","0.002","14.512","0.003","90","","100.402","0.004","90","","1578.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N8 O8 S Zn2 -","- C8 H12 N8 O8 S Zn2 -","- C32 H48 N32 O32 S4 Zn8 -","4","1","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.0276","0.0239","","","0.068","0.0705","","","","","","1.076","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033013","9.948","0.0014","10.1981","0.0014","12.8656","0.0018","90","","106.089","0.002","90","","1254.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cd N8 -","- C8 H4 Cd N8 -","- C32 H16 Cd4 N32 -","4","1","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.0436","0.0384","","","0.1117","0.1144","","","","","","1.085","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033014","7.4092","0.0019","26.697","0.006","10.1452","0.0019","90","","130.725","0.012","90","","1520.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N16 O14 S2 Zn3 -","- C16 H22 N16 O14 S2 Zn3 -","- C32 H44 N32 O28 S4 Zn6 -","2","0.5","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.1007","0.0531","","","0.134","0.2001","","","","","","1.06","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033015","12.288","0.002","7.6477","0.0014","20.84","0.004","90","","99.119","0.004","90","","1933.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Co N16 O2 -","- C16 H14 Co N16 O2 -","- C64 H56 Co4 N64 O8 -","4","0.5","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.0608","0.0425","","","0.099","0.1271","","","","","","1.07","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033016","18.341","0.004","18.341","0.004","17.503","0.005","90","","90","","90","","5888","2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Co2 N16 O2 -","- C16 H12 Co2 N16 O2 -","- C128 H96 Co16 N128 O16 -","8","1","","Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu","Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1110","1119","10.1039/c4dt03129f","","","0.71073","MoKα","","0.0537","0.0376","","","0.0879","0.0919","","","","","","0.965","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033017","8.526","0.003","11.951","0.003","12.272","0.004","69.55","0.02","87.64","0.03","80.07","0.03","1153.8","0.7","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Fe N2 P -","- C23 H37 Fe N2 P -","- C46 H74 Fe2 N4 P2 -","2","1","","Ogawa, Takahiko; Suzuki, Tatsuya; Hein, Nicholas M.; Pick, Fraser S.; Fryzuk, Michael D.","Cleavage of an aryl carbon-nitrogen bond of a phosphazido iron(II) complex promoted by hydride metathesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","54","57","10.1039/c4dt03136a","","","0.71073","MoKα","","0.0393","0.0313","","","0.0794","0.0852","","","","","","1.05","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033018","8.4137","0.001","12.3149","0.0014","16.0458","0.0019","68.433","0.002","80.379","0.002","83.219","0.003","1521.5","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H47 N4 P -","- C31 H47 N4 P -","- C62 H94 N8 P2 -","2","1","","Ogawa, Takahiko; Suzuki, Tatsuya; Hein, Nicholas M.; Pick, Fraser S.; Fryzuk, Michael D.","Cleavage of an aryl carbon-nitrogen bond of a phosphazido iron(II) complex promoted by hydride metathesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","54","57","10.1039/c4dt03136a","","","0.71073","MoKα","","0.0438","0.0372","","","0.0976","0.1026","","","","","","1.032","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033019","9.742","0.002","10.616","0.002","19.454","0.005","74.814","0.005","79.099","0.005","84.049","0.005","1903.5","0.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H31 K0.5 N2 O P0.5 -","- C19.5 H31 K0.5 N2 O P0.5 -","- C78 H124 K2 N8 O4 P2 -","4","2","","Ogawa, Takahiko; Suzuki, Tatsuya; Hein, Nicholas M.; Pick, Fraser S.; Fryzuk, Michael D.","Cleavage of an aryl carbon-nitrogen bond of a phosphazido iron(II) complex promoted by hydride metathesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","54","57","10.1039/c4dt03136a","","","0.71073","MoKα","","0.0765","0.0625","","","0.158","0.1637","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033020","17.547","0.005","10.262","0.005","20.588","0.005","90","","90","","90","","3707","2","90","","90","","","","","","","","","7","P c a 21","P 2c -2ac","29","","[NpN3]FeBr(THF)","","- C35 H54 Br Fe N4 O P -","- C35 H54 Br Fe N4 O P -","- C140 H216 Br4 Fe4 N16 O4 P4 -","4","1","","Ogawa, Takahiko; Suzuki, Tatsuya; Hein, Nicholas M.; Pick, Fraser S.; Fryzuk, Michael D.","Cleavage of an aryl carbon-nitrogen bond of a phosphazido iron(II) complex promoted by hydride metathesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","54","57","10.1039/c4dt03136a","","","0.71069","MoKα","","0.0712","0.0472","","","0.1014","0.1105","","","","","","1.022","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033021","14.741","0.005","16.229","0.005","24.658","0.005","104.005","0.005","97.732","0.005","92.583","0.005","5653","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Gd7 N25 O41 -","- C78 H72 Gd7 N25 O41 -","- C156 H144 Gd14 N50 O82 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Synthesis, structure, and magnetism of non-planar heptanuclear lanthanide(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1142","1149","10.1039/c4dt01603c","","","0.71069","MoKα","","0.1349","0.0724","","","0.1537","0.1694","","","","","","1.031","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033022","15.215","0.005","16.425","0.005","24.769","0.005","104.849","0.005","94.612","0.005","95.967","0.005","5914","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 N25 O41 Tb7 -","- C78 H72 N25 O41 Tb7 -","- C156 H144 N50 O82 Tb14 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Synthesis, structure, and magnetism of non-planar heptanuclear lanthanide(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1142","1149","10.1039/c4dt01603c","","","0.71069","MoKα","","0.0934","0.0703","","","0.1771","0.1882","","","","","","1.115","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033023","14.813","0.005","16.161","0.005","24.41","0.005","104.542","0.005","97.034","0.005","92.794","0.005","5595","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Dy7 N25 O41 -","- C78 H72 Dy7 N25 O41 -","- C156 H144 Dy14 N50 O82 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Synthesis, structure, and magnetism of non-planar heptanuclear lanthanide(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1142","1149","10.1039/c4dt01603c","","","0.71069","MoKα","","0.0996","0.0616","","","0.143","0.1535","","","","","","1.085","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033024","15.285","0.005","16.379","0.005","24.769","0.005","105.328","0.005","93.576","0.005","96.95","0.005","5908","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Ho7 N25 O41 -","- C78 H72 Ho7 N25 O41 -","- C156 H144 Ho14 N50 O82 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Synthesis, structure, and magnetism of non-planar heptanuclear lanthanide(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1142","1149","10.1039/c4dt01603c","","","0.71069","MoKα","","0.07","0.0524","","","0.1436","0.1548","","","","","","1","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033025","14.963","0.005","16.133","0.005","24.357","0.005","104.8","0.005","96.154","0.005","93.3","0.005","5630","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Er7 N25 O41 -","- C78 H72 Er7 N25 O41 -","- C156 H144 Er14 N50 O82 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Synthesis, structure, and magnetism of non-planar heptanuclear lanthanide(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1142","1149","10.1039/c4dt01603c","","","0.71069","MoKα","","0.1266","0.0755","","","0.1674","0.1809","","","","","","1.108","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033026","5.3801","0.001","8.141","0.0015","10.1367","0.0019","73.807","0.008","83.716","0.008","73.693","0.007","408.98","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","Lanthanum methylphosphonate","","- C4 H16 La2 O12 P4 -","- C4 H16 La2 O12 P4 -","- C4 H16 La2 O12 P4 -","1","0.5","","Mutelet, B.; Boudin, S.; Pérez, O; Rueff, J. M.; Labbé, C; Jaffrès, P A","La1-xLnxH(O3PCH3)2 (Ln = Tb, Eu; 0 < x ≤ 1): an organic-inorganic hybrid with lanthanide chains and tunable luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1186","1192","10.1039/c4dt02643h","","x-ray","0.71069","MoKα","","0.0629","0.0473","","","0.0591","0.0611","","","","1.37","1.37","1.28","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033027","16.236","0.005","10.705","0.005","21.821","0.005","90","0.005","107.244","0.005","90","0.005","3622","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N10 Ni3 O4 -","- C38 H32 N10 Ni3 O4 -","- C152 H128 N40 Ni12 O16 -","4","1","","Das, Lakshmi Kanta; Gómez-García, Carlos J; Ghosh, Ashutosh","Influence of the central metal ion in controlling the self-assembly and magnetic properties of 2D coordination polymers derived from [(NiL)2M](2+) nodes (M = Ni, Zn and Cd) (H2L = salen-type di-Schiff base) and dicyanamide spacers.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1292","1302","10.1039/c4dt02823f","","","0.71073","MoKα","","0.045","0.03","","","0.0715","0.0778","","","","","","1.017","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033028","16.713","0.005","10.748","0.005","21.986","0.005","90","0.005","109.293","0.005","90","0.005","3728","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cd N10 Ni2 O4 -","- C38 H32 Cd N10 Ni2 O4 -","- C152 H128 Cd4 N40 Ni8 O16 -","4","1","","Das, Lakshmi Kanta; Gómez-García, Carlos J; Ghosh, Ashutosh","Influence of the central metal ion in controlling the self-assembly and magnetic properties of 2D coordination polymers derived from [(NiL)2M](2+) nodes (M = Ni, Zn and Cd) (H2L = salen-type di-Schiff base) and dicyanamide spacers.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1292","1302","10.1039/c4dt02823f","","","0.71073","MoKα","","0.0358","0.0311","","","0.0811","0.0855","","","","","","1.059","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033029","14.9315","0.0007","19.8367","0.0009","12.5335","0.0006","90","","90","","90","","3712.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H32 N10 Ni2 O4 Zn -","- C38 H32 N10 Ni2 O4 Zn -","- C152 H128 N40 Ni8 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Gómez-García, Carlos J; Ghosh, Ashutosh","Influence of the central metal ion in controlling the self-assembly and magnetic properties of 2D coordination polymers derived from [(NiL)2M](2+) nodes (M = Ni, Zn and Cd) (H2L = salen-type di-Schiff base) and dicyanamide spacers.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1292","1302","10.1039/c4dt02823f","","","0.71073","MoKα","","0.0375","0.0268","","","0.0641","0.0696","","","","","","1.066","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033030","10.2956","0.0007","11.69","0.0008","13.6363","0.0009","106.886","0.001","98.239","0.001","94.427","0.001","1541.95","0.18","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Dy N10 O8 S4 -","- C54 H87 Dy N10 O8 S4 -","- C54 H87 Dy N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0533","0.0523","","","0.1322","0.1335","","","","","","1.049","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033031","10.409","0.003","11.756","0.003","13.65","0.004","106.55","0.005","98.526","0.006","94.961","0.006","1568.8","0.8","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C53 H85 Dy N10 O8 S4 -","- C53 H85 Dy N10 O8 S4 -","- C53 H85 Dy N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0931","0.0722","","","0.1737","0.1941","","","","","","1.026","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033032","10.297","0.001","11.6829","0.0011","13.5696","0.0013","106.808","0.002","98.496","0.002","94.203","0.002","1533.9","0.3","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0508","0.0507","","","0.131","0.1313","","","","","","1.034","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033033","10.2833","0.0008","11.6475","0.0008","13.6139","0.001","106.8","0.001","98.131","0.001","94.398","0.001","1533.4","0.2","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","- C54 H87 Ho N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.0546","0.0534","","","0.1284","0.1298","","","","","","1.03","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033034","10.2722","0.0008","11.6628","0.0009","13.4833","0.0011","106.821","0.001","98.773","0.001","94.062","0.001","1516.8","0.2","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H87 Er N10 O8 S4 -","- C54 H87 Er N10 O8 S4 -","- C54 H87 Er N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.067","0.0649","","","0.165","0.1693","","","","","","1.043","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033035","10.2345","0.0006","11.6666","0.0007","13.5492","0.0008","107.027","0.001","98.881","0.001","94.118","0.001","1516.57","0.16","185","2","185","2","","","","","","","","6","P 1","P 1","1","","","","- C53 H85 Er N10 O8 S4 -","- C53 H85 Er N10 O8 S4 -","- C53 H85 Er N10 O8 S4 -","1","1","","Lin, Shuang-Yan; Wang, Chao; Zhao, Lang; Wu, Jianfeng; Tang, Jinkui","Chiral mononuclear lanthanide complexes and the field-induced single-ion magnet behaviour of a Dy analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","223","229","10.1039/c4dt02889a","","","0.71073","MoKα","","0.06","0.0577","","","0.132","0.1344","","","","","","1.017","","","","has coordinates","287936","2023-12-01","15:19:01",""
"7033036","10.013","0.0004","18.617","0.0008","21.2365","0.0008","90","","91.844","0.002","90","","3956.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cadmiumfurnaedicarboxylate","","","- C30 H27 Cd3 N4 O20 -","- C30 H27 Cd3 N4 O20 -","- C120 H108 Cd12 N16 O80 -","4","1","","Asha, K. S.; Kavyasree, P. R.; George, Anu; Mandal, Sukhendu","The role of solvents in framework dimensionality and their effect on band gap energy.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1009","1016","10.1039/c4dt01678e","","","0.71073","MoKα","","0.0865","0.067","","","0.174","0.1869","","","","","","1.084","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033037","9.4327","0.0002","10.1954","0.0002","11.2452","0.0002","63.983","0.001","73.212","0.001","83.22","0.001","930.39","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","cadmiumfurandicarboxylate","","","- C14 H14 Cd1.5 N O11 -","- C14 H14 Cd1.5 N O11 -","- C28 H28 Cd3 N2 O22 -","2","1","","Asha, K. S.; Kavyasree, P. R.; George, Anu; Mandal, Sukhendu","The role of solvents in framework dimensionality and their effect on band gap energy.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1009","1016","10.1039/c4dt01678e","","","0.71073","MoKα","","0.0639","0.0635","","","0.1395","0.1396","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033038","14.0877","0.0016","13.1032","0.0014","19.028","0.002","90","","90","","90","","3512.5","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn2(adc)2(bpma)2(H2O)2]","","","- C34 H34 Mn2 N6 O10 -","- C34 H34 Mn2 N6 O10 -","- C136 H136 Mn8 N24 O40 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Ancillary ligand assisted self-assembly of coordination architectures of Mn(II): the effect of the N-alkyl group on a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1203","1210","10.1039/c4dt03005b","","","0.71073","MoKα","","0.0448","0.0363","","","0.0989","0.1137","","","","","","0.982","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033039","7.8454","0.0003","22.3677","0.0008","9.5853","0.0003","90","","93.491","0.002","90","","1678.94","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn2(adc)2(bpea)2]n","","","- C36 H34 Mn2 N6 O8 -","- C36 H34 Mn2 N6 O8 -","- C72 H68 Mn4 N12 O16 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Ancillary ligand assisted self-assembly of coordination architectures of Mn(II): the effect of the N-alkyl group on a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1203","1210","10.1039/c4dt03005b","","","0.71073","MoKα","","0.0754","0.0424","","","0.0931","0.1076","","","","","","0.974","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033040","20.332","0.002","10.0941","0.0011","32.682","0.004","90","","96.688","0.002","90","","6661.8","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H28 N4 O4 Zn -","- C41 H28 N4 O4 Zn -","- C328 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen","A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1412","1419","10.1039/c4dt02811b","","","0.71073","MoKα","","0.0855","0.0664","","","0.1812","0.1966","","","","","","1.038","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033041","13.6179","0.0009","14.7639","0.001","33.973","0.002","90","","90","","90","","6830.4","0.8","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C82 H58 Co2 N8 O9 -","- C82 H58 Co2 N8 O9 -","- C328 H232 Co8 N32 O36 -","4","0.5","","Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen","A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1412","1419","10.1039/c4dt02811b","","","0.71073","MoKα","","0.073","0.0614","","","0.1856","0.1896","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033042","17.676","0.004","8.814","0.003","24.121","0.004","90","","93.01","0.004","90","","3752.8","1.7","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cu N6 O9 -","- C33 H30 Cu N6 O9 -","- C132 H120 Cu4 N24 O36 -","4","1","","Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen","A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1412","1419","10.1039/c4dt02811b","","","0.71073","MoKα","","0.0608","0.0485","","","0.1144","0.1166","","","","","","0.956","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033043","15.169","0.0009","15.453","0.0009","16.4504","0.0008","67.469","0.002","80.559","0.002","61.982","0.007","3143.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H90 N10 O47 Zn6 -","- C114 H102 N10 O47 Zn6 -","- C114 H102 N10 O47 Zn6 -","1","0.5","","Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen","A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1412","1419","10.1039/c4dt02811b","","","0.71073","MoKα","","0.0717","0.0593","","","0.1539","0.1573","","","","","","1.017","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033044","7.7428","0.0014","12.863","0.002","20.288","0.004","90","","92.172","0.003","90","","2019.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","1","","Safonova, Evgeniya A.; Martynov, Alexander G.; Zolotarevskii, Viktor I.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Design of UV-Vis-NIR panchromatic crown-phthalocyanines with controllable aggregation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1366","1378","10.1039/c4dt02759k","","","0.71073","MoKα","","0.0884","0.0475","","","0.1127","0.1359","","","","","","1.011","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033045","10.4767","0.0014","11.6728","0.0016","12.9373","0.0018","91.5","0.004","106.143","0.003","115.291","0.003","1354.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cl4 Mg O8 -","- C22 H26 Cl4 Mg O8.004 -","- C44 H52 Cl8 Mg2 O16.008 -","2","1","","Men, Guangwen; Chen, Chunrong; Zhang, Shitong; Liang, Chunshuang; Wang, Ying; Deng, Mengyu; Shang, Hongxing; Yang, Bing; Jiang, Shimei","A real-time fluorescent sensor specific to Mg(2+): crystallographic evidence, DFT calculation and its use for quantitative determination of magnesium in drinking water.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2755","2762","10.1039/c4dt03068k","","","0.71073","MoKα","","0.0922","0.0539","","","0.1456","0.1657","","","","","","1.045","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033046","10.2017","0.0008","10.1819","0.001","16.4706","0.0015","90","","104.582","0.005","90","","1655.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N3 O4 S V -","- C17 H12 N3 O4 S V -","- C68 H48 N12 O16 S4 V4 -","4","1","","Maurya, Mannar R.; Chaudhary, Nikita; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, João","Oxidovanadium(IV) and dioxidovanadium(V) complexes of hydrazones of 2-benzoylpyridine and their catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1211","1232","10.1039/c4dt02474e","","","0.71073","MoKα","","0.0899","0.0601","","","0.15","0.1682","","","","","","1.073","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7033047","10.2637","0.0012","22.806","0.003","8.1173","0.0009","90","","105.364","0.007","90","","1832.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H17 N4 O5.5 V -","- C18.5 H17 N4 O5.5 V -","- C74 H68 N16 O22 V4 -","4","1","","Maurya, Mannar R.; Chaudhary, Nikita; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, João","Oxidovanadium(IV) and dioxidovanadium(V) complexes of hydrazones of 2-benzoylpyridine and their catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1211","1232","10.1039/c4dt02474e","","","0.71073","MoKα","","0.1257","0.0652","","","0.1601","0.2028","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033048","8.3281","0.0006","9.658","0.0008","22.01","0.002","81.235","0.006","87.348","0.006","68.383","0.005","1626.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 N3 O3 S V -","- C17 H12 N3 O3 S V -","- C68 H48 N12 O12 S4 V4 -","4","2","","Maurya, Mannar R.; Chaudhary, Nikita; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, João","Oxidovanadium(IV) and dioxidovanadium(V) complexes of hydrazones of 2-benzoylpyridine and their catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1211","1232","10.1039/c4dt02474e","","","0.71073","MoKα","","0.0865","0.0502","","","0.1259","0.153","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033049","14.6312","0.0005","8.2122","0.0003","14.4503","0.0005","90","","110.765","0.002","90","","1623.48","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 O3 V -","- C18 H13 N4 O3 V -","- C72 H52 N16 O12 V4 -","4","1","","Maurya, Mannar R.; Chaudhary, Nikita; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, João","Oxidovanadium(IV) and dioxidovanadium(V) complexes of hydrazones of 2-benzoylpyridine and their catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1211","1232","10.1039/c4dt02474e","","","0.71073","MoKα","","0.0881","0.0698","","","0.1837","0.2035","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033050","13.0806","0.001","20.3096","0.0016","13.8023","0.0011","90","","113.754","0.002","90","","3356.1","0.5","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Cl2 I Ir N5 -","- C36 H35 Cl2 I Ir N5 -","- C144 H140 Cl8 I4 Ir4 N20 -","4","1","","Gupta, Suraj K.; Choudhury, Joyanta","Templating an N-heterocyclic carbene (NHC)-cyclometalated Cp*Ir(III)-based oxidation precatalyst on a pendant coordination platform: assessment of the oxidative behavior via electrochemical, spectroscopic and catalytic probes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1233","1239","10.1039/c4dt03161j","","","0.71073","MoKα","","0.0246","0.0237","","","0.0621","0.0628","","","","","","1.02","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033051","7.6771","0.0016","10.1854","0.0017","20.076","0.004","90","","99.451","0.009","90","","1548.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F2 N2 O -","- C19 H13 B F2 N2 O -","- C76 H52 B4 F8 N8 O4 -","4","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.1768","0.0507","","","0.1144","0.1957","","","","","","0.936","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033052","7.9845","0.0012","14.683","0.002","15.599","0.002","102.511","0.004","92.422","0.007","92.278","0.005","1781.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 B F2 N2 O -","- C21 H17 B F2 N2 O -","- C84 H68 B4 F8 N8 O4 -","4","2","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.1472","0.0722","","","0.1694","0.2202","","","","","","0.937","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033053","9.9254","0.0004","15.5842","0.0005","24.9184","0.001","90","","90","","90","","3854.4","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B F2 N2 O -","- C23 H21 B F2 N2 O -","- C184 H168 B8 F16 N16 O8 -","8","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.0676","0.0465","","","0.1338","0.1583","","","","","","1.089","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033054","9.6279","0.0019","18.412","0.003","24.12","0.005","90","","90","","90","","4275.7","1.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H25 B F2 N2 O -","- C25 H25 B F2 N2 O -","- C200 H200 B8 F16 N16 O8 -","8","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.1535","0.0603","","","0.1224","0.1621","","","","","","0.92","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033055","11.8174","0.0018","10.004","0.0015","15.2107","0.0019","90","","98.682","0.007","90","","1777.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B Cl2 F2 N2 O -","- C19 H11 B Cl2 F2 N2 O -","- C76 H44 B4 Cl8 F8 N8 O4 -","4","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.085","0.058","","","0.1383","0.1632","","","","","","1.091","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033056","12.05","0.003","9.965","0.003","15.29","0.004","90","","100.226","0.005","90","","1806.8","0.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B Br2 F2 N2 O -","- C19 H11 B Br2 F2 N2 O -","- C76 H44 B4 Br8 F8 N8 O4 -","4","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.1115","0.0517","","","0.0939","0.1124","","","","","","0.988","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033057","10.334","0.0006","34.337","0.002","9.4266","0.0003","90","","106.526","0.003","90","","3206.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Ag N7 O5 -","- C29 H36 Ag N7 O5 -","- C116 H144 Ag4 N28 O20 -","4","1","","Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1388","1396","10.1039/c4dt02604g","","","0.71073","MoKα","","0.0473","0.0408","","","0.0915","0.0941","","","","","","1.062","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033058","16.377","0.004","17.142","0.005","9.573","0.003","90","","93.614","0.008","90","","2682.1","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 N12 O4 -","- C58 H70 N12 O4 -","- C116 H140 N24 O8 -","2","0.5","","Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1388","1396","10.1039/c4dt02604g","","","0.71073","MoKα","","0.0769","0.0533","","","0.1737","0.201","","","","","","1.026","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033059","17.614","0.003","11.581","0.002","31.048","0.006","90","","90","","90","","6333","2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H36 Ag2 N8 O8 -","- C29 H36 Ag2 N8 O8 -","- C232 H288 Ag16 N64 O64 -","8","2","","Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1388","1396","10.1039/c4dt02604g","","","0.71073","MoKα","","0.0708","0.0506","","","0.126","0.139","","","","","","1.042","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033060","10.8117","0.0006","21.4389","0.0013","14.063","0.0006","90","","118.699","0.003","90","","2859.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Ag N7 O5 -","- C29 H36 Ag N7 O5 -","- C116 H144 Ag4 N28 O20 -","4","1","","Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1388","1396","10.1039/c4dt02604g","","","0.71073","MoKα","","0.0473","0.039","","","0.0926","0.0997","","","","","","1.032","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033061","15.2602","0.0006","16.4953","0.0006","19.51","0.0007","90","","92.256","0.002","90","","4907.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H76 Eu2 F18 N12 Na2 O17 -","- C90 H74 Eu2 F18 N12 Na2 O17 -","- C180 H148 Eu4 F36 N24 Na4 O34 -","2","0.5","","Bruno, Sofia M.; Ananias, Duarte; Paz, Filipe A Almeida; Pillinger, Martyn; Valente, Anabela A.; Carlos, Luís D; Gonçalves, Isabel S","Crystal structure and temperature-dependent luminescence of a heterotetranuclear sodium-europium(III) β-diketonate complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","488","492","10.1039/c4dt02301c","","","0.71073","MoKα","","0.122","0.0675","","","0.1474","0.1777","","","","","","1.149","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033062","9.6821","0.0006","16.7879","0.001","14.9185","0.0009","90","","102.098","0.001","90","","2371","0.2","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N4 O2 -","- C10 H20 N4 O2 -","- C80 H160 N32 O16 -","8","2","","Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1170","1177","10.1039/c4dt02954b","","","0.71073","MoKα","","0.0754","0.0499","","","0.1162","0.1282","","","","","","1.03","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033063","8.8291","0.0004","20.5803","0.001","17.8396","0.0008","90","","94.187","0.001","90","","3232.9","0.3","173","","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H44 Ag Cl N4 O5 -","- C31 H42 Ag Cl N4 O5 -","- C124 H168 Ag4 Cl4 N16 O20 -","4","2","","Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1170","1177","10.1039/c4dt02954b","","","0.71073","MoKα","","0.0354","0.033","","","0.0899","0.0964","","","","","","1.076","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033064","10.6718","0.0006","15.139","0.0009","23.2571","0.0011","90","","116.497","0.002","90","","3362.7","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Ag F10 N4 O P -","- C32 H42 Ag F10 N4 O P -","- C128 H168 Ag4 F40 N16 O4 P4 -","4","1","","Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1170","1177","10.1039/c4dt02954b","","","0.71073","MoKα","","0.0341","0.0314","","","0.0822","0.0857","","","","","","1.051","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033065","19.0094","0.001","9.2229","0.0005","22.745","0.0012","90","","113.513","0.001","90","","3656.6","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Ag Cl4 F6 N4 O4 -","- C32 H37 Ag Cl4 F6 N4 O4 -","- C128 H148 Ag4 Cl16 F24 N16 O16 -","4","1","","Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1170","1177","10.1039/c4dt02954b","","","0.71073","MoKα","","0.0403","0.0329","","","0.0857","0.0965","","","","","","1.13","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033066","9.046","0.003","11.876","0.004","14.006","0.005","90","","108.792","0.004","90","","1424.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N4 O4 -","- C15 H10 Cu N4 O4 -","- C60 H40 Cu4 N16 O16 -","4","1","","Yu, Wei-Bin; He, Qing-Ya; Ma, Xiu-Fang; Shi, Hua-Tian; Wei, Xianwen","A new copper species based on an azo-compound utilized as a homogeneous catalyst for water oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","351","358","10.1039/c4dt03097d","","","0.71073","MoKα","","0.1065","0.0538","","","0.141","0.1754","","","","","","0.922","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033067","9.0963","0.0006","13.5005","0.0009","17.6543","0.0013","80.412","0.006","76.114","0.006","70.938","0.006","1980.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 Ca Cl N0 O2 Si0 -","- C18 H29 Ca Cl O2 -","- C72 H116 Ca4 Cl4 O8 -","4","2","","Blom, Burgert; Klatt, Günter; Gallego, Daniel; Tan, Gengwen; Driess, Matthias","Unprecedented silicon(II)→calcium complexes with N-heterocyclic silylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","639","644","10.1039/c4dt03148b","","","1.54178","CuKα","","0.0653","0.0504","","","0.1267","0.1379","","","","","","1.103","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033068","10.7411","0.0001","14.4017","0.0001","27.9573","0.0002","90","","90","","90","","4324.72","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H66 Ca N2 O Si -","- C45 H66 Ca N2 O Si -","- C180 H264 Ca4 N8 O4 Si4 -","4","1","","Blom, Burgert; Klatt, Günter; Gallego, Daniel; Tan, Gengwen; Driess, Matthias","Unprecedented silicon(II)→calcium complexes with N-heterocyclic silylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","639","644","10.1039/c4dt03148b","","","1.54178","CuKα","","0.0314","0.0309","","","0.0853","0.0857","","","","","","1.034","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033069","9.9184","0.0001","14.1228","0.0001","23.6163","0.0003","90","","101.909","0.001","90","","3236.87","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H44 Ca O -","- C36.5 H44 Ca O -","- C146 H176 Ca4 O4 -","4","1","","Blom, Burgert; Klatt, Günter; Gallego, Daniel; Tan, Gengwen; Driess, Matthias","Unprecedented silicon(II)→calcium complexes with N-heterocyclic silylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","639","644","10.1039/c4dt03148b","","","1.54178","CuKα","","0.0521","0.0513","","","0.1442","0.1445","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033070","23.711","0.005","8.9025","0.0018","33.427","0.007","90","","90","","90","","7056","3","293.15","","293.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C32 H42 Cu N14 O7 -","- C32 H42 Cu N14 O7 -","- C256 H336 Cu8 N112 O56 -","8","0.5","","Liu, Lu; Wu, Dongqing; Zhao, Bei; Han, Xiao; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Copper(II) coordination polymers: tunable structures and a different activation effect of hydrogen peroxide for the degradation of methyl orange under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1406","1411","10.1039/c4dt02440k","","","0.71073","MoKα","","0.0935","0.0741","","","0.162","0.1752","","","","","","1.07","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033071","7.9002","0.0016","10.02","0.002","13.153","0.003","101.72","0.03","93.69","0.03","91.54","0.03","1016.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Cu(btmx)2(Cl)2]5H2O}n","","","- C32 H50 Cl2 Cu N12 O5 -","- C32 H44 Cl2 Cu N12 O2 -","- C32 H44 Cl2 Cu N12 O2 -","1","0.5","","Liu, Lu; Wu, Dongqing; Zhao, Bei; Han, Xiao; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Copper(II) coordination polymers: tunable structures and a different activation effect of hydrogen peroxide for the degradation of methyl orange under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1406","1411","10.1039/c4dt02440k","","","0.71073","MoKα","","0.0881","0.0664","","","0.1679","0.1835","","","","","","1.055","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033072","13.328","0.003","14.147","0.003","9.6681","0.0019","90","","101.46","0.03","90","","1786.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Cu(btmx)(Cl)2]n","","","- C16 H20 Cl2 Cu N6 -","- C16 H20 Cl2 Cu N6 -","- C64 H80 Cl8 Cu4 N24 -","4","1","","Liu, Lu; Wu, Dongqing; Zhao, Bei; Han, Xiao; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Copper(II) coordination polymers: tunable structures and a different activation effect of hydrogen peroxide for the degradation of methyl orange under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1406","1411","10.1039/c4dt02440k","","","0.71073","MoKα","","0.0865","0.0772","","","0.1502","0.1566","","","","","","1.011","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033073","10.747","0.002","11.215","0.002","12.347","0.003","103.63","0.03","109.84","0.03","91.01","0.03","1352.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cl6 N4 Ni2 O8 -","- C50 H54 Cl6 N4 Ni2 O8 -","- C50 H54 Cl6 N4 Ni2 O8 -","1","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.1217","0.0703","","","0.1758","0.2028","","","","","","1.003","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033074","13.7366","0.0007","11.945","0.0006","14.3878","0.0007","90","","108.08","0.001","90","","2244.24","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H52 N4 Ni2 O8 -","- C48 H52 N4 Ni2 O8 -","- C96 H104 N8 Ni4 O16 -","2","1","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.0414","0.0371","","","0.0899","0.0922","","","","","","1.043","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033075","8.428","0.0008","11.7109","0.001","13.9731","0.0013","113.575","0.002","91.422","0.002","93.09","0.002","1260.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 N4 Ni2 O4 -","- C56 H68 N4 Ni2 O4 -","- C56 H68 N4 Ni2 O4 -","1","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.0943","0.0649","","","0.1287","0.1431","","","","","","1.002","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033076","27.029","0.006","13.321","0.003","25.424","0.005","90","","111.358","0.003","90","","8525","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H80 Cl2 N8 Ni O16 -","- C76 H80 Cl2 N8 Ni O16 -","- C304 H320 Cl8 N32 Ni4 O64 -","4","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.1363","0.0826","","","0.2385","0.2701","","","","","","0.999","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033077","10.5962","0.0006","7.4665","0.0004","19.8942","0.0011","90","","90.365","0.001","90","","1573.93","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 -","- C38 H40 N4 -","- C76 H80 N8 -","2","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.063","0.0503","","","0.1385","0.1483","","","","","","1.048","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033078","10.68","0.009","9.276","0.007","16.587","0.013","90","","99.173","0.014","90","","1622","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 O4 -","- C38 H40 N4 O4 -","- C76 H80 N8 O8 -","2","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.1476","0.0697","","","0.1499","0.1846","","","","","","1.036","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033079","8.4801","0.0006","10.2051","0.0007","11.4803","0.0008","83.63","0.002","85.344","0.002","80.261","0.002","971.17","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H56 N4 -","- C46 H56 N4 -","- C46 H56 N4 -","1","0.5","","Ohno, Keiji; Nagasawa, Akira; Fujihara, Takashi","Dinuclear nickel(II) complexes with 2,5-diamino-1,4-benzoquinonediimine ligands as precatalysts for the polymerization of styrene: electronic and steric substituent effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","368","376","10.1039/c4dt02858a","","","0.71073","MoKα","","0.0757","0.0655","","","0.1815","0.1922","","","","","","1.051","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033080","12.8373","0.0002","12.8373","0.0002","12.8373","0.0002","90","","90","","90","","2115.54","0.06","293.15","","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ba Mn9 O26 V6 -","- Ba Mn9 O26 V6 -","- Ba4 Mn36 O104 V24 -","4","0.166667","","Guo, Wenbin; He, Zhangzhen; Tang, Yingying; Zhang, Suyun; Yang, Ming; Cheng, Wendan","BaMn9(II)(VO4)6(OH)2: a homospin ferrimagnet with a broken spinel-lattice of B-sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6363","6367","10.1039/c4dt02930e","","","0.71073","MoKα","","0.0273","0.0273","","","0.0758","0.0759","","","","","","1.326","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033081","9.59","0.0005","10.3214","0.0006","13.7988","0.0009","90","","90","","90","","1365.84","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4.5 H14 Al B5 N2 O10 -","- C4.5 Al B5 N2 O10 -","- C18 Al4 B20 N8 O40 -","4","1","","Wei, Li; Wang, Guo-Ming; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Series of open-framework aluminoborates containing [B5O10] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1420","1426","10.1039/c4dt02632b","","","0.71073","MoKα","","0.0537","0.0503","","","0.1275","0.1296","","","","","","0.905","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033082","13.1857","0.0006","13.2861","0.0005","17.3296","0.0007","90","","90","","90","","3035.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H Al B5 N3 O10 -","- C5 Al B5 N3 O10 -","- C40 Al8 B40 N24 O80 -","8","1","","Wei, Li; Wang, Guo-Ming; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Series of open-framework aluminoborates containing [B5O10] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1420","1426","10.1039/c4dt02632b","","","0.71073","MoKα","","0.0772","0.0672","","","0.1799","0.1872","","","","","","0.941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033083","13.4808","0.0005","25.9908","0.001","17.5035","0.0007","90","","104.029","0.002","90","","5949.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(DPFN)2][NO3]2","","","- C66.5 H54 F4 Mn N14 O8 -","- C64 H48 F4 Mn N14 O7 -","- C256 H192 F16 Mn4 N56 O28 -","4","1","","Davenport, T. C.; Tilley, T. D.","Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12244","12255","10.1039/c4dt02727b","","","0.71073","MoKα","","0.0661","0.0466","","","0.1163","0.1248","","","","","","1.116","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033084","13.6956","0.0016","15.6624","0.0018","21.613","0.003","82.38","0.001","73.241","0.001","64.529","0.001","4007.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co2(u-Cl)2Cl(CH3OH)(DPFN)]2[CoCl4]","","","- C33.875 H34 Cl5 Co2.5 F2 N6 O3.125 -","- C33.875 H34 Cl5 Co2.5 F2 N6 O3.125 -","- C135.5 H136 Cl20 Co10 F8 N24 O12.5 -","4","2","","Davenport, T. C.; Tilley, T. D.","Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12244","12255","10.1039/c4dt02727b","","","0.71073","MoKα","","0.0692","0.0502","","","0.1378","0.1529","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033085","11.8504","0.0005","13.35","0.0006","23.8878","0.001","97.747","0.002","93.565","0.002","102.721","0.002","3636.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ni2(u-Cl)2Cl(CH3OH)(DPFN)][Cl]","","","- C34.25 H37 Cl4 F2 N6 Ni2 O4.25 -","- C31 H23.5 Cl4 F2 N6 Ni2 O -","- C124 H94 Cl16 F8 N24 Ni8 O4 -","4","2","","Davenport, T. C.; Tilley, T. D.","Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12244","12255","10.1039/c4dt02727b","","","0.71073","MoKα","","0.0927","0.0598","","","0.1405","0.1515","","","","","","1.097","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033086","15.1594","0.0006","21.5153","0.0008","43.7045","0.0017","90","","90","","90","","14254.6","1","100","2","100","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","[Cu4(u-Cl)6(DPFN)2][Cl]2","","","- C70 H64 Cl8 Cu4 F4 N12 O4 -","- C70.02 H64.16 Cl8 Cu4 F4 N12 O4.02 -","- C560.16 H513.28 Cl64 Cu32 F32 N96 O32.16 -","8","0.25","","Davenport, T. C.; Tilley, T. D.","Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12244","12255","10.1039/c4dt02727b","","","0.71073","MoKα","","0.0754","0.0488","","","0.1318","0.1526","","","","","","1.066","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033087","21.1143","0.0019","14.753","0.0013","23.299","0.002","90","","106.175","0.001","90","","6970.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu2(u-OH)(u-OH2)(DPFN)(NO3)][NO3]2","","","- C30 H29 Cu2 F2 N9 O14 -","- C30 H29 Cu2 F2 N9 O14 -","- C240 H232 Cu16 F16 N72 O112 -","8","1","","Davenport, T. C.; Tilley, T. D.","Dinuclear first-row transition metal complexes with a naphthyridine-based dinucleating ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12244","12255","10.1039/c4dt02727b","","","0.71073","MoKα","","0.0222","0.0206","","","0.0549","0.0558","","","","","","1.053","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033088","13.565","0.009","16.584","0.011","18.065","0.012","63.652","0.007","76.183","0.007","83.562","0.008","3536","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Co10_azide","Co10","","- C104 H100 Co10 N70 O15 -","- C104 H94 Co10 N70 O15 -","- C104 H94 Co10 N70 O15 -","1","0.5","","Zhang, Yuan-Zhu; Gao, Song; Sato, Osamu","In situ tetrazole templated chair-like decanuclear azido-cobalt(II) SMM containing both tetra- and octa-hedral Co(II) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","480","483","10.1039/c4dt03211j","","","0.71073","MoKα","","0.1183","0.0636","","","0.1651","0.1952","","","","","","1.011","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033089","9.9182","0.0003","10.2993","0.0004","10.3745","0.0004","90.141","0.003","107.571","0.003","92.782","0.003","1008.96","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 K2 O3 S7 -","- C8 H18 K2 O3 S7 -","- C16 H36 K4 O6 S14 -","2","1","","Camp, Clément; Cooper, Oliver; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","CS2 activation at uranium(iii) siloxide ate complexes: the effect of a Lewis acidic site.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2650","2656","10.1039/c4dt02585g","","","0.71073","MoKα","","0.0806","0.0472","","","0.0708","0.08","","","","","","1.023","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033090","23.321","0.003","10.1497","0.0005","21.907","0.003","90","","127.579","0.019","90","","4109.5","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 K2 N O12 S4 -","- C31 H53 K2 N O12 S4 -","- C124 H212 K8 N4 O48 S16 -","4","0.5","","Camp, Clément; Cooper, Oliver; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","CS2 activation at uranium(iii) siloxide ate complexes: the effect of a Lewis acidic site.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2650","2656","10.1039/c4dt02585g","","","0.71073","MoKα","","0.1109","0.0611","","","0.1339","0.1557","","","","","","1.034","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033091","14.8483","0.0006","17.9359","0.0008","25.5598","0.0012","81.725","0.004","85.15","0.003","76.692","0.004","6545.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H188 K2 O28 S3 Si4 U -","- C101 H188 K2 O28 S3 Si4 U -","- C202 H376 K4 O56 S6 Si8 U2 -","2","1","","Camp, Clément; Cooper, Oliver; Andrez, Julie; Pécaut, Jacques; Mazzanti, Marinella","CS2 activation at uranium(iii) siloxide ate complexes: the effect of a Lewis acidic site.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2650","2656","10.1039/c4dt02585g","","","0.71073","MoKα","","0.1344","0.0919","","","0.2028","0.2231","","","","","","1.07","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033092","12.419","0.0004","13.6062","0.0006","20.6569","0.0006","90","","90","","90","","3490.5","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Se3 Sn Y -","- C8 H24 N5 O Se3 Sn Y -","- C64 H192 N40 O8 Se24 Sn8 Y8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0677","0.057","","","0.1457","0.1524","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033093","12.45","0.002","13.617","0.002","21.005","0.004","90","","90","","90","","3561","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Pr Se3 Sn -","- C8 H24 N5 O Pr Se3 Sn -","- C64 H192 N40 O8 Pr8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0615","0.05","","","0.1595","0.1741","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033094","12.4132","0.0003","13.5901","0.0004","20.6722","0.0006","90","","90","","90","","3487.33","0.17","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Dy N5 O Se3 Sn -","- C8 H24 Dy N5 O Se3 Sn -","- C64 H192 Dy8 N40 O8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0658","0.057","","","0.1444","0.1506","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033095","12.4182","0.001","13.6053","0.0011","20.6357","0.0017","90","","90","","90","","3486.5","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Er N5 O Se3 Sn -","- C8 H24 Er N5 O Se3 Sn -","- C64 H192 Er8 N40 O8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0858","0.0702","","","0.1938","0.2337","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033096","12.399","0.003","13.518","0.004","20.504","0.006","90","","90","","90","","3436.7","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Se3 Sn Tm -","- C8 H24 N5 O Se3 Sn Tm -","- C64 H192 N40 O8 Se24 Sn8 Tm8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0661","0.0626","","","0.1559","0.1581","","","","","","1.144","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033097","28.236","0.011","28.236","0.011","10.94","0.005","90","","90","","90","","8722","6","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H104 Cl4 N20 O8 Se10 Sn4 Y4 -","- C32 H96 Cl4 N20 O4 Se10 Sn4 Y4 -","- C128 H384 Cl16 N80 O16 Se40 Sn16 Y16 -","4","0.25","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0565","0.047","","","0.1336","0.1392","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033098","28.239","0.0002","28.239","0.0002","11.038","0.0002","90","","90","","90","","8802.16","0.18","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H104 Cl4 Dy4 N20 O8 Se10 Sn4 -","- C32 H96 Cl4 Dy4 N20 O4 Se10 Sn4 -","- C128 H384 Cl16 Dy16 N80 O16 Se40 Sn16 -","4","0.25","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0405","0.0295","","","0.0641","0.0676","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033099","28.1622","0.0003","28.1622","0.0003","11.0089","0.0003","90","","90","","90","","8731.3","0.3","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H104 Cl4 Er4 N20 O8 Se10 Sn4 -","- C32 H96 Cl4 Er4 N20 O4 Se10 Sn4 -","- C128 H384 Cl16 Er16 N80 O16 Se40 Sn16 -","4","0.25","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.03","0.0244","","","0.0606","0.063","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033100","28.208","0.0003","28.208","0.0003","11.0142","0.0003","90","","90","","90","","8763.9","0.3","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H104 Cl4 N20 O8 Se10 Sn4 Tm4 -","- C32 H96 Cl4 N20 O4 Se10 Sn4 Tm4 -","- C128 H384 Cl16 N80 O16 Se40 Sn16 Tm16 -","4","0.25","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0388","0.0301","","","0.0735","0.0773","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033101","15.745","0.002","26.506","0.004","27.765","0.004","86.976","0.004","84.139","0.004","88.302","0.004","11507","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H252 Mo24 N6 O92 P2 Zn8 -","- C150 H229 Mo24 N6 O92 P2 Zn8 -","- C300 H458 Mo48 N12 O184 P4 Zn16 -","2","1","","Dong, Bao-Xia; Chen, Lu; Zhang, Shi-Yang; Ge, Jun; Song, Liang; Tian, Hui; Teng, Yun-Lei; Liu, Wen-Long","The first tritopic bridging ligand 1,3,5-tris(4-carboxyphenyl)-benzene (H3BTB) functionalized porous polyoxometalate-based metal-organic framework (POMOF): from design, synthesis to electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1435","1440","10.1039/c4dt02486a","","","0.71073","MoKα","","0.1209","0.0882","","","0.2129","0.2279","","","","","","1.037","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033102","10.124","0.003","16.991","0.006","21.418","0.007","90","","104.82","0.007","90","","3562","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(4,4,4-trifluoro-1-(2-furyl)-1,3-butanedionate) mono(2,2-bipyridine)erbium(III)","","- C34 H20 Er F9 N2 O9 -","- C34 H20 Er F9 N2 O9 -","- C136 H80 Er4 F36 N8 O36 -","4","1","","Silva, M. Ramos; Martín-Ramos, P; Coutinho, J. T.; Pereira, L. C. J.; Lavín, V; Martín, I R; Silva, P. S. Pereira; Martín-Gil, J","Slow magnetic relaxation mechanisms in erbium SIMs.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1264","1272","10.1039/c4dt02767a","","","0.71073","MoKα","","0.1101","0.0474","","","0.0916","0.1133","","","","","","0.954","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033103","9.7918","0.0007","9.9454","0.0007","12.7361","0.0009","84.216","0.004","76.642","0.005","64.07","0.004","1085.25","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N2 O8 U -","- C18 H20 Cl N2 O8 U -","- C36 H40 Cl2 N4 O16 U2 -","2","1","","Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry","Coordination polymers of uranium(iv) terephthalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2639","2649","10.1039/c4dt02343a","","","0.71073","MoKα","","0.0328","0.0272","","","0.0582","0.0597","","","","","","1.054","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033104","17.4025","0.0003","9.9887","0.0002","25.5946","0.0005","90","","98.568","0.001","90","","4399.41","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl N2 O8 U -","- C18 H20 Cl N2 O8 U -","- C144 H160 Cl8 N16 O64 U8 -","8","1","","Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry","Coordination polymers of uranium(iv) terephthalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2639","2649","10.1039/c4dt02343a","","","0.71073","MoKα","","0.0608","0.0327","","","0.0601","0.0661","","","","","","1.139","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033105","15.26","0.0007","11.4841","0.0005","13.4499","0.0006","90","","101.49","0.002","90","","2309.82","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 O10 U -","- C22 H22 N2 O10 U -","- C88 H88 N8 O40 U4 -","4","0.5","","Falaise, Clément; Assen, Ayalew; Mihalcea, Ionut; Volkringer, Christophe; Mesbah, Adel; Dacheux, Nicolas; Loiseau, Thierry","Coordination polymers of uranium(iv) terephthalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2639","2649","10.1039/c4dt02343a","","","0.71073","MoKα","","0.0251","0.0196","","","0.0451","0.047","","","","","","1.066","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033106","8.5902","0.0003","16.4831","0.0006","25.1988","0.0011","90","","95.684","0.002","90","","3550.4","0.2","140","","140","","","","","","","","","6","C 1 c 1","C -2yc","9","","NiLBr","","- C16 H23 Br Ni O3 S2 -","- C16 H23 Br Ni O3 S2 -","- C128 H184 Br8 Ni8 O24 S16 -","8","2","","Peterson, Sonja M.; Helm, Monte L.; Appel, Aaron M.","Nickel complexes of a binucleating ligand derived from an SCS pincer.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","747","752","10.1039/c4dt02718c","","","0.71073","MoKα","","0.0426","0.03","","","0.0459","0.0486","","","","","","0.959","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033107","8.0944","0.0006","9.0875","0.0006","19.2405","0.0013","88.473","0.003","85.212","0.003","71.11","0.003","1334.39","0.16","140","2","140.15","","","","","","","","","9","P -1","-P 1","2","","[Ni(L)(mu-Br)Li]N(OTf)2","","- C18 H23 Br F6 Li N Ni O7 S4 -","- C18 H23 Br F6 Li N Ni O7 S4 -","- C36 H46 Br2 F12 Li2 N2 Ni2 O14 S8 -","2","1","","Peterson, Sonja M.; Helm, Monte L.; Appel, Aaron M.","Nickel complexes of a binucleating ligand derived from an SCS pincer.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","747","752","10.1039/c4dt02718c","","","0.71073","MoKα","","0.0555","0.038","","","0.0824","0.0899","","","","","","1.03","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033108","14.4784","0.0015","13.8157","0.0015","19.3044","0.0019","90","","104.539","0.002","90","","3737.8","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 Ca2 N5 O15 S2 -","- C27 H37 Ca2 N5 O15 S2 -","- C108 H148 Ca8 N20 O60 S8 -","4","0.5","","Zhao, Shu-Na; Song, Xue-Zhi; Zhu, Min; Meng, Xing; Wu, Lan-Lan; Song, Shu-Yan; Wang, Cheng; Zhang, Hong-Jie","Assembly of three coordination polymers based on a sulfonic-carboxylic ligand showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","948","954","10.1039/c4dt02870h","","","0.71073","MoKα","","0.1033","0.0528","","","0.1059","0.1259","","","","","","1.039","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033109","13.3226","0.0004","16.3848","0.0005","6.9437","0.0002","90","","90","","90","","1515.73","0.08","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C13 H16 Cd N2 O7 S -","- C13 H15 Cd N2 O7 S -","- C52 H60 Cd4 N8 O28 S4 -","4","0.5","","Zhao, Shu-Na; Song, Xue-Zhi; Zhu, Min; Meng, Xing; Wu, Lan-Lan; Song, Shu-Yan; Wang, Cheng; Zhang, Hong-Jie","Assembly of three coordination polymers based on a sulfonic-carboxylic ligand showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","948","954","10.1039/c4dt02870h","","","0.71073","MoKα","","0.034","0.0326","","","0.1047","0.106","","","","","","1.11","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033110","8.6325","0.0009","12.8807","0.0014","14.7075","0.0016","90","","93.76","0.002","90","","1631.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cu N4 O14 S2 -","- C24 H34 Cu N4 O14 S2 -","- C48 H68 Cu2 N8 O28 S4 -","2","0.5","","Zhao, Shu-Na; Song, Xue-Zhi; Zhu, Min; Meng, Xing; Wu, Lan-Lan; Song, Shu-Yan; Wang, Cheng; Zhang, Hong-Jie","Assembly of three coordination polymers based on a sulfonic-carboxylic ligand showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","948","954","10.1039/c4dt02870h","","","0.71073","MoKα","","0.0876","0.052","","","0.127","0.1481","","","","","","1.064","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033111","10.8721","0.0005","21.4823","0.0012","16.2937","0.0008","90","","109.318","0.003","90","","3591.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 B F15 Te -","- C42 H20 B F15 Te -","- C168 H80 B4 F60 Te4 -","4","1","","Tsao, Fu An; Stephan, Douglas W.","1,1-Carboboration to tellurium-boron intramolecular frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","71","74","10.1039/c4dt03241a","","","0.71073","MoKα","","0.0426","0.0272","","","0.0508","0.0553","","","","","","1.015","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033112","14.3384","0.0015","19.7349","0.0018","12.5751","0.0013","90","","96.781","0.004","90","","3533.4","0.6","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H14 B F15 I2 Te -","- C34 H14 B F15 I2 Te -","- C136 H56 B4 F60 I8 Te4 -","4","1","","Tsao, Fu An; Stephan, Douglas W.","1,1-Carboboration to tellurium-boron intramolecular frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","71","74","10.1039/c4dt03241a","","","0.71073","MoKα","","0.0268","0.0246","","","0.0533","0.0547","","","","","","1.169","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033113","10.8865","0.0007","20.8896","0.0017","16.4939","0.0013","90","","104.061","0.003","90","","3638.6","0.5","149","2","149","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H20 B F15 O Te -","- C41 H20 B F15 O Te -","- C164 H80 B4 F60 O4 Te4 -","4","1","","Tsao, Fu An; Stephan, Douglas W.","1,1-Carboboration to tellurium-boron intramolecular frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","71","74","10.1039/c4dt03241a","","","0.71073","MoKα","","0.0349","0.0247","","","0.0518","0.0556","","","","","","1.001","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033114","47.5913","0.0018","12.0866","0.0004","18.8343","0.0007","90","","109.133","0.002","90","","10235.4","0.7","147","2","147","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H79 Cl F3 N3 P2 Ru -","- C53 H79 Cl F3 N3 P2 Ru -","- C424 H632 Cl8 F24 N24 P16 Ru8 -","8","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","1.54178","CuKα","","0.0456","0.0349","","","0.0763","0.0811","","","","","","1.017","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033115","28.9283","0.001","10.7995","0.0003","36.2924","0.0011","90","","102.431","0.002","90","","11072.3","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H58 Cl N3 P2 Ru -","- C64 H58 Cl N3 P2 Ru -","- C512 H464 Cl8 N24 P16 Ru8 -","8","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","0.71073","MoKα","","0.0619","0.04","","","0.081","0.0868","","","","","","1.066","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033116","11.4773","0.0004","13.5733","0.0005","16.1112","0.0006","88.1","0.002","84.383","0.001","68.53","0.001","2324.49","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Cl3 N3 O P2 Ru -","- C53.251 H44 Cl3.502 N3 P2 Ru -","- C106.502 H88 Cl7.004 N6 P4 Ru2 -","2","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","0.71073","MoKα","","0.0492","0.0391","","","0.1015","0.1081","","","","","","1.059","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033117","34.0795","0.0014","12.2507","0.0005","14.5298","0.0006","90","","90","","90","","6066.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C73 H74 Cl N3 P2 Ru -","- C73 H74 Cl N3 P2 Ru -","- C292 H296 Cl4 N12 P8 Ru4 -","4","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","0.71073","MoKα","","0.0636","0.0416","","","0.0794","0.0868","","","","","","1.013","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033118","12.6848","0.0005","22.3649","0.0009","19.0808","0.0006","90","","92.208","0.002","90","","5409.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H82 Cl N3 O0 P2 Ru -","- C52 H82 Cl N3 P2 Ru -","- C208 H328 Cl4 N12 P8 Ru4 -","4","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2712","2723","10.1039/c4dt03156c","","","0.71073","MoKα","","0.0577","0.0395","","","0.0892","0.0946","","","","","","1.054","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033119","14.89","0.003","14.976","0.003","15.484","0.003","64.46","0.03","77.29","0.03","63.9","0.03","2795.8","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H126 Cl2 N2 Nd2 O42 Ti10 -","- C76 H120 Cl2 N2 Nd2 O42 Ti10 -","- C76 H120 Cl2 N2 Nd2 O42 Ti10 -","1","0.5","","Wang, Sheng; Su, Hu-Chao; Yu, Lan; Zhao, Xiao-Wei; Qian, Li-Wen; Zhu, Qin-Yu; Dai, Jie","Fluorescence and energy transfer properties of heterometallic lanthanide-titanium oxo clusters coordinated with anthracenecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1882","1888","10.1039/c4dt02968b","","","0.71073","MoKα","","0.1509","0.0786","","","0.1185","0.1466","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033120","14.6136","0.0008","14.7178","0.0008","15.054","0.0008","64.86","0.0015","78.173","0.0015","64.315","0.0014","2640.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H126 Cl2 Eu2 N2 O42 Ti10 -","- C76 H122 Cl2 Eu2 N2 O42 Ti10 -","- C76 H122 Cl2 Eu2 N2 O42 Ti10 -","1","0.5","","Wang, Sheng; Su, Hu-Chao; Yu, Lan; Zhao, Xiao-Wei; Qian, Li-Wen; Zhu, Qin-Yu; Dai, Jie","Fluorescence and energy transfer properties of heterometallic lanthanide-titanium oxo clusters coordinated with anthracenecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1882","1888","10.1039/c4dt02968b","","","0.71073","MoKα","","0.0632","0.0401","","","0.09","0.1045","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033121","15.092","0.003","17.568","0.004","18.631","0.004","90","","91.72","0.03","90","","4937.5","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H124 Cl2 Nd2 O42 Ti10 -","- C62 H108 Cl2 Nd2 O42 Ti10 -","- C124 H216 Cl4 Nd4 O84 Ti20 -","2","0.5","","Wang, Sheng; Su, Hu-Chao; Yu, Lan; Zhao, Xiao-Wei; Qian, Li-Wen; Zhu, Qin-Yu; Dai, Jie","Fluorescence and energy transfer properties of heterometallic lanthanide-titanium oxo clusters coordinated with anthracenecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1882","1888","10.1039/c4dt02968b","","","0.71073","MoKα","","0.0943","0.0759","","","0.1289","0.1381","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033122","6.3313","0.0006","33.114","0.004","7.5538","0.0006","90","","93.4","0.006","90","","1580.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sc-pydc-1D","","- C14 H11 N2 O10 Sc -","- C14 H11 N2 O10 Sc -","- C56 H44 N8 O40 Sc4 -","4","1","","Cao, Yu; Zhu, Ziqian; Xu, Jianing; Wang, Li; Sun, Jiayin; Chen, Xiaobo; Fan, Yong","Sc₂(pydc)₂ unit based 1D, 2D and 3D metal-organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1942","1947","10.1039/c4dt03221g","","","0.71073","MoKα","","0.1154","0.0774","","","0.1815","0.2027","","","","","","1.114","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033123","12.817","0.004","27.839","0.008","8.017","0.002","90","","95.42","0.02","90","","2847.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sc-pydc-2D","","- C21 H17 N3 O21 Sc2 -","- C21 H17 N3 O21 Sc2 -","- C84 H68 N12 O84 Sc8 -","4","1","","Cao, Yu; Zhu, Ziqian; Xu, Jianing; Wang, Li; Sun, Jiayin; Chen, Xiaobo; Fan, Yong","Sc₂(pydc)₂ unit based 1D, 2D and 3D metal-organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1942","1947","10.1039/c4dt03221g","","","0.71073","MoKα","","0.1129","0.0641","","","0.1604","0.1836","","","","","","0.975","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033124","23.2465","0.0009","23.2465","0.0009","10.239","0.0003","90","","90","","120","","4791.9","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Sc-pydc-3D","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C126 H90 N36 O144 Sc18 -","18","1","","Cao, Yu; Zhu, Ziqian; Xu, Jianing; Wang, Li; Sun, Jiayin; Chen, Xiaobo; Fan, Yong","Sc₂(pydc)₂ unit based 1D, 2D and 3D metal-organic frameworks as heterogeneous Lewis acid catalysts for cyanosilylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1942","1947","10.1039/c4dt03221g","","","0.71073","MoKα","","0.0846","0.0769","","","0.1886","0.1924","","","","","","1.206","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033125","10.9379","0.0007","13.6742","0.0009","11.1977","0.0008","90","","114.184","0.001","90","","1527.82","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 B2 Co N8 -","- C28 H48 B2 Co N8 -","- C56 H96 B4 Co2 N16 -","2","0.5","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.0821","0.0463","","","0.077","0.087","","","","","","1.057","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033126","30.413","0.002","17.3135","0.0012","19.958","0.0014","90","","113.39","0.001","90","","9645.4","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 Co N8 -","- C28 H48 B2 Co N8 -","- C336 H576 B24 Co12 N96 -","12","3","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.103","0.0582","","","0.1257","0.147","","","","","","1.016","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033127","29.1539","0.001","17.0356","0.0006","20.1403","0.0007","90","","105.24","0.001","90","","9651","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 B2 Co N8 -","- C28 H48 B2 Co N8 -","- C336 H576 B24 Co12 N96 -","12","3","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.1117","0.0602","","","0.1577","0.184","","","","","","1.012","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033128","30.159","0.004","17.138","0.002","19.392","0.003","90","","112.3","0.002","90","","9273","2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H48 B2 Fe N8 -","- C28 H48 B2 Fe N8 -","- C336 H576 B24 Fe12 N96 -","12","3","","Liu, Yuan-Zhong; Wang, Jing; Zhao, Yue; Chen, Lei; Chen, Xue-Tai; Xue, Zi-Ling","Four-coordinate Co(II) and Fe(II) complexes with bis(N-heterocyclic carbene)borate and their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","908","911","10.1039/c4dt02537g","","","0.71073","MoKα","","0.0377","0.0339","","","0.0846","0.0867","","","","","","1.005","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7033129","19.814","0.008","14.508","0.006","11.457","0.005","90","","95.492","0.007","90","","3278","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N2 O2 S2 -","- C39 H36 N2 O2 S2 -","- C156 H144 N8 O8 S8 -","4","1","","Ganapathi, Emandi; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis and specific fluoride binding properties of expanded dithiacalixphyrins.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2763","2770","10.1039/c4dt03215b","","","0.71075","MoKα","","0.0875","0.0802","","","0.2163","0.2238","","","","","","1.066","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033130","10.0497","0.0001","19.9849","0.0003","19.7712","0.0002","90","","90","","90","","3970.89","0.08","150","2","150","2","","","","","","","","5","P m n b","-C 2c 2","63","","","","- C15 H12 N O39 Zr6 -","- C15 H12 N O39 Zr6 -","- C60 H48 N4 O156 Zr24 -","4","0.5","","Liang, Weibin; Babarao, Ravichandar; Murphy, Michael J.; D'Alessandro, Deanna Michelle","The First Example of a Zirconium-Oxide Based Metal-Organic Framework Constructed from Monocarboxylate Ligands","Dalton Transactions","2015","44","4","1516","1519","10.1039/C4DT03183K","","","1.54178","CuKα","","0.0572","0.0546","","","0.1687","0.1729","","","","","","1.064","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033131","21.383","0.005","18.94","0.005","9.587","0.002","90","","94.379","0.008","90","","3871.3","1.6","298","2","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H38 N10 O13 Zn2 -","- C36 H38 N10 O13 Zn2 -","- C144 H152 N40 O52 Zn8 -","4","1","","Duan, Li-Na; Dang, Qin-Qin; Han, Cai-Yun; Zhang, Xian-Ming","An interpenetrated bioactive nonlinear optical MOF containing a coordinated quinolone-like drug and Zn(II) for pH-responsive release.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1800","1804","10.1039/c4dt02672a","","","0.71073","MoKα","","0.0634","0.0475","","","0.1081","0.1121","","","","","","0.97","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033132","11.7067","0.0002","15.4042","0.0004","22.2277","0.0008","90","","91.038","0.003","90","","4007.72","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Hg2 N10 O9 -","- C38 H40 Hg2 N10 O9 -","- C152 H160 Hg8 N40 O36 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Rai, Dhirendra K.; Dota, Krithika; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Mathur, Deepak; Mathur, Pradeep","Varying coordination modes of amide ligand in group 12 Hg(II) and Cd(II) complexes: synthesis, crystal structure and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1933","1941","10.1039/c4dt02111h","","","0.71073","MoKα","","0.032","0.0284","","","0.0676","0.0705","","","","","","1.098","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033133","18.6169","0.0003","13.9789","0.0002","32.2083","0.0007","90","","90","","90","","8382","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H80 Cd3 Cl6 N20 O14 -","- C76 H80 Cd3 Cl6 N20 O14 -","- C304 H320 Cd12 Cl24 N80 O56 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Rai, Dhirendra K.; Dota, Krithika; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Mathur, Deepak; Mathur, Pradeep","Varying coordination modes of amide ligand in group 12 Hg(II) and Cd(II) complexes: synthesis, crystal structure and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1933","1941","10.1039/c4dt02111h","","","1.5418","CuKα","","0.0704","0.0692","","","0.1924","0.1939","","","","","","1.053","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033134","5.4515","0.0002","5.4515","0.0002","23.1283","0.0008","90","","90","","120","","595.26","0.04","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","sodium calcium barium phosphate","Trisodium Monocalcium Dibarium Triphosphorous Dodecaoxygen","","- Ba2 Ca Na3 O12 P3 -","- Ba2 Ca Na3 O12 P3 -","- Ba4 Ca2 Na6 O24 P6 -","2","0.333333","","Kim, Minsung; Kobayashi, Makoto; Kato, Hideki; Yamane, Hisanori; Sato, Yasushi; Kakihana, Masato","Crystal structures and luminescence properties of Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and Na₃Ba₂Ca(PO₄)₃.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1900","1904","10.1039/c4dt03024a","","","0.71075","MoKα","","0.0388","0.0286","","","0.0659","0.0744","","","","","","1.204","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7033135","5.4474","0.0004","5.4474","0.0004","7.3624","0.0005","90","","90","","120","","189.2","0.02","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","sodium calcium barium phosphate","disodium monocalcium monobarium phosphate","","- Ba Ca Na2 O8 P2 -","- Ba Ca Na2 O8 P2 -","- Ba Ca Na2 O8 P2 -","1","0.0833333","","Kim, Minsung; Kobayashi, Makoto; Kato, Hideki; Yamane, Hisanori; Sato, Yasushi; Kakihana, Masato","Crystal structures and luminescence properties of Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and Na₃Ba₂Ca(PO₄)₃.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1900","1904","10.1039/c4dt03024a","","","0.71075","MoKα","","0.0168","0.0168","","","0.0408","0.0408","","","","","","1.154","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7033136","12.9211","0.0007","16.9306","0.001","15.0031","0.0009","90","","108.261","0.002","90","","3116.8","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F6 N5 O2 P Ru -","- C33 H26 F6 N5 O2 P Ru -","- C132 H104 F24 N20 O8 P4 Ru4 -","4","1","","Ertl, Cathrin D.; Ris, Daniel P.; Meier, Stefan C.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sticking and patching: tuning and anchoring cyclometallated ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1557","1570","10.1039/c4dt02797c","","","1.54178","CuKα","","0.0276","0.0248","","","0.0642","0.0664","","","","","","1.047","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033137","10.6299","0.001","13.1587","0.0012","14.0271","0.0013","82.634","0.003","73.46","0.003","75.358","0.003","1816.4","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H29 F6 N6 O2 P Ru -","- C35 H29 F6 N6 O2 P Ru -","- C70 H58 F12 N12 O4 P2 Ru2 -","2","1","","Ertl, Cathrin D.; Ris, Daniel P.; Meier, Stefan C.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sticking and patching: tuning and anchoring cyclometallated ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1557","1570","10.1039/c4dt02797c","","","1.54178","CuKα","","0.0377","0.0376","","0.0587","0.0576","0.0571","","","","","","1.1954","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033138","9.1746","0.0006","13.7422","0.0009","13.9635","0.0009","77.596","0.002","75.777","0.002","81.75","0.002","1659.04","0.19","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 F6 N5 P Ru S -","- C35 H32 F6 N5 P Ru S -","- C70 H64 F12 N10 P2 Ru2 S2 -","2","1","","Ertl, Cathrin D.; Ris, Daniel P.; Meier, Stefan C.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sticking and patching: tuning and anchoring cyclometallated ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1557","1570","10.1039/c4dt02797c","","","1.54178","CuKα","","0.025","0.0243","","","0.0618","0.0622","","","","","","1.043","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033139","17.8559","0.0014","16.5326","0.0013","19.4749","0.0015","90","","94.917","0.002","90","","5727.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H120 Cl12 Cu8 N8 P4 -","- C110 H120 Cl12 Cu8 N8 P4 -","- C220 H240 Cl24 Cu16 N16 P8 -","2","0.5","","Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Copper(i), silver(i) and gold(i) complexes of N-heterocyclic carbene-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4449","4454","10.1039/c4dt03285c","","","0.71073","MoKα","","0.0557","0.0375","","","0.0983","0.1099","","","","","","1.036","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033140","17.9942","0.0016","16.6328","0.0015","19.7649","0.0018","90","","94.399","0.002","90","","5898.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H120 Ag8 Cl12 N8 P4 -","- C110 H120 Ag8 Cl12 N8 P4 -","- C220 H240 Ag16 Cl24 N16 P8 -","2","0.5","","Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Copper(i), silver(i) and gold(i) complexes of N-heterocyclic carbene-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4449","4454","10.1039/c4dt03285c","","","0.71073","MoKα","","0.0564","0.0392","","","0.1212","0.138","","","","","","1.013","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033141","14.2115","0.0011","11.7065","0.0009","16.6136","0.0013","90","","98.04","0.0019","90","","2736.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Au2 Cl2 N2 P -","- C27 H29 Au2 Cl2 N2 P -","- C108 H116 Au8 Cl8 N8 P4 -","4","1","","Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Copper(i), silver(i) and gold(i) complexes of N-heterocyclic carbene-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4449","4454","10.1039/c4dt03285c","","","0.71073","MoKα","","0.0506","0.0348","","","0.0838","0.0905","","","","","","1.057","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033142","17.9154","0.0014","16.5873","0.0013","19.6521","0.0016","90","","94.218","0.002","90","","5824.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H120 Br8 Cl4 Cu8 N8 P4 -","- C110 H120 Br8 Cl4 Cu8 N8 P4 -","- C220 H240 Br16 Cl8 Cu16 N16 P8 -","2","0.5","","Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Copper(i), silver(i) and gold(i) complexes of N-heterocyclic carbene-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4449","4454","10.1039/c4dt03285c","","","0.71073","MoKα","","0.0824","0.056","","","0.1451","0.1695","","","","","","1.041","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033143","10.255","0.002","11.959","0.002","19.404","0.004","76.3","0.03","85.99","0.03","70.33","0.03","2177","0.9","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H48 Cl4 Cu4 N2 O8 P2 -","- C34 H48 Cl4 Cu4 N2 O8 P2 -","- C68 H96 Cl8 Cu8 N4 O16 P4 -","2","1","","Ghalib, Mohammed; Könczöl, László; Nyulászi, László; Palm, Gottfried J.; Schulzke, Carola; Heinicke, Joachim W.","π-Excess aromatic σ²-P ligands: synthesis and structure of an unprecedented μ²-P-1,3-benzazaphosphole bridged tetranuclear copper(I) acetate complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1769","1774","10.1039/c4dt03072a","","","0.71073","MoKα","","0.0482","0.0333","","","0.1022","0.1173","","","","","","0.798","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7033144","12.5725","0.0007","10.0053","0.0003","18.5969","0.0009","90","","105.747","0.002","90","","2251.54","0.18","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 S2 Si -","- C26 H24 S2 Si -","- C104 H96 S8 Si4 -","4","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","","0.71073","MoKα","","0.0985","0.0455","","","0.0917","0.1074","","","","","","0.973","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033145","8.9705","0.0002","13.1314","0.0005","12.961","0.0005","90","","92.088","0.002","90","","1525.73","0.09","183","2","183","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H22 Fe2 O6 S2 Si -","- C32 H22 Fe2 O6 S2 Si -","- C64 H44 Fe4 O12 S4 Si2 -","2","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","","0.71073","MoKα","","0.0446","0.0328","","","0.0669","0.0714","","","","","","1.017","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033146","11.1625","0.0002","17.4213","0.0005","19.7848","0.0005","98.998","0.002","100.977","0.002","102.728","0.002","3604.34","0.16","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H64 Fe4 O12 P2 S4 Si2 -","- C68 H62 Fe4 O12 P2 S4 Si2 -","- C136 H124 Fe8 O24 P4 S8 Si4 -","2","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","","0.71073","MoKα","","0.0992","0.0776","","","0.1478","0.1582","","","","","","1.281","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033147","9.4944","0.0005","28.8784","0.0016","13.4812","0.0007","90","","91.57","0.003","90","","3694.9","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Fe2 O4 P2 S2 Si -","- C36 H38 Fe2 O4 P2 S2 Si -","- C144 H152 Fe8 O16 P8 S8 Si4 -","4","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","","0.71073","MoKα","","0.1431","0.0919","","","0.1599","0.1849","","","","","","1.116","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033148","11.4702","0.0005","11.9426","0.0005","29.2444","0.0014","90","","94.382","0.004","90","","3994.3","0.3","170","2","170","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cl2 Fe2 O4 P2 S2 Si -","- C37 H40 Cl2 Fe2 O4 P2 S2 Si -","- C148 H160 Cl8 Fe8 O16 P8 S8 Si4 -","4","1","","Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang","A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1690","1699","10.1039/c4dt03223c","","x-ray","0.71073","MoKα","","0.0885","0.0482","","","0.0969","0.1068","","","","","","0.938","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7033149","10.357","0.002","12.82","0.003","13.113","0.003","101.036","0.004","105.588","0.004","100.777","0.004","1592.8","0.6","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","[(C5H3N(CH2P(tBu)2)2)Ir(H)2(py)]BF4","","- C26 H43 Cl2 F3 O7 P2 Pt S -","- C26 H43 Cl2 F3 O7 P2 Pt S -","- C52 H86 Cl4 F6 O14 P4 Pt2 S2 -","2","1","","Holmes, Arthur J.; Rayner, Peter J.; Cowley, Michael J.; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.","The reaction of an iridium PNP complex with parahydrogen facilitates polarisation transfer without chemical change.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1077","1083","10.1039/c4dt03088e","","","0.71073","MoKα","","0.0327","0.0284","","","0.0627","0.0649","","","","","","1.021","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033150","16.938","0.003","6.959","0.0011","23","0.003","90","","131.788","0.008","90","","2021.4","0.6","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H29 B18 Fe O -","- C8 H29 B18 Fe O -","- C32 H116 B72 Fe4 O4 -","4","2","","Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey","Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1571","1584","10.1039/c4dt03015j","","","0.71073","MoKα","","0.0796","0.0598","","","0.141","0.1535","","","","","","1.016","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033151","10.4813","0.0008","16.4726","0.0013","23.1236","0.0019","71.221","0.002","85.257","0.002","83.086","0.002","3748.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H38 B18 Fe N O2 -","- C12 H38 B18 Fe N O2 -","- C72 H228 B108 Fe6 N6 O12 -","6","3","","Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey","Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1571","1584","10.1039/c4dt03015j","","","0.71073","MoKα","","0.1474","0.0563","","","0.0907","0.1114","","","","","","0.911","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033152","13.3551","0.0004","18.8652","0.0006","12.7661","0.0004","90","","106.649","0.001","90","","3081.54","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 B18 Cl2 Fe N O3 -","- C13 H42 B18 Fe N O3 -","- C52 H168 B72 Fe4 N4 O12 -","4","1","","Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey","Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1571","1584","10.1039/c4dt03015j","","","0.71073","MoKα","","0.0509","0.0385","","","0.1016","0.1065","","","","","","1.008","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033153","12.2119","0.0004","13.9471","0.0005","15.173","0.0005","72.62","0.002","81.392","0.002","69.815","0.002","2311.68","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H56 B18 Cl3 Fe O P2 -","- C35.5 H56 B18 Cl3 Fe O P2 -","- C71 H112 B36 Cl6 Fe2 O2 P4 -","2","1","","Lobanova, Irina; Kosenko, Irina; Laskova, Julia; Ananyev, Ivan; Druzina, Anna; Godovikov, Ivan; Bregadze, Vladimir I.; Qi, Shicheng; Leśnikowski, Zbigniew J; Semioshkin, Andrey","Synthesis and the structure of 8-tetrahydrofuronium and 8-tetrahydropyronium derivatives of iron bis(dicarbollide)(-I) and their cleavage reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1571","1584","10.1039/c4dt03015j","","","1.54178","CuKα","","0.0567","0.0453","","","0.1238","0.1341","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033154","12.1319","0.0006","12.1588","0.0008","12.5189","0.0008","82.798","0.002","69.275","0.002","68.558","0.002","1607.6","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C68 H56 Br4 Fe2 N10 O14 -","2","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.0726","0.0481","","","0.1113","0.1227","","","","","","1.006","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033155","12.0359","0.0007","12.1457","0.0007","12.4988","0.0007","83.175","0.003","69.4","0.003","68.733","0.003","1593.75","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C68 H56 Br4 Fe2 N10 O14 -","2","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.0826","0.0462","","","0.095","0.1075","","","","","","1.022","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033156","12.5977","0.0005","13.7134","0.0006","19.9391","0.0009","90.838","0.002","107.328","0.002","100.883","0.002","3219.9","0.2","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C136 H112 Br8 Fe4 N20 O28 -","4","2","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.1057","0.0504","","","0.0915","0.1119","","","","","","0.956","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033157","12.0805","0.001","12.1194","0.001","12.4856","0.0011","83.11","0.005","69.235","0.004","68.622","0.005","1591.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C68 H56 Br4 Fe2 N10 O14 -","2","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.0792","0.0424","","","0.083","0.0951","","","","","","0.958","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033158","12.5767","0.0006","13.6774","0.0008","19.9247","0.0011","90.818","0.003","107.363","0.003","100.947","0.003","3202.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C136 H112 Br8 Fe4 N20 O28 -","4","2","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.1175","0.0549","","","0.1007","0.1242","","","","","","0.957","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033159","12.5838","0.0006","13.701","0.0007","19.9499","0.0009","90.858","0.002","107.36","0.002","100.806","0.002","3215.4","0.3","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C136 H112 Br8 Fe4 N20 O28 -","4","2","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.1022","0.0493","","","0.0932","0.1128","","","","","","0.953","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033160","12.6135","0.0011","13.7534","0.0013","19.9632","0.0015","90.999","0.004","107.339","0.004","100.541","0.004","3240.5","0.5","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C136 H112 Br8 Fe4 N20 O28 -","4","2","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.1252","0.0544","","","0.0985","0.123","","","","","","0.962","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033161","12.0223","0.0005","12.3163","0.0006","12.7577","0.0005","80.991","0.002","69.414","0.002","69.182","0.002","1651.88","0.13","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Fe N5 O7 -","- C34 H28 Br2 Fe N5 O7 -","- C68 H56 Br4 Fe2 N10 O14 -","2","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Jameson, Guy N. L.","Abrupt two-step and symmetry breaking spin crossover in an iron(iii) complex: an exceptionally wide [LS-HS] plateau.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15079","15082","10.1039/c4dt03184a","","","0.71073","MoKα","","0.1225","0.0499","","","0.1027","0.1292","","","","","","0.897","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033162","17.0085","0.0007","9.0804","0.0005","17.7985","0.0009","90","","92.882","0.002","90","","2745.4","0.2","150","2","150","2","","","","","","","toluene","4","C 1 2/c 1","-C 2yc","15","[GaH3(7Dipp)]","","","- C29 H45 Ga N2 -","- C29 H45 Ga N2 -","- C116 H180 Ga4 N8 -","4","0.5","","Leverett, Anthony R.; McKay, Alasdair I.; Cole, Marcus L.","The stabilization of gallane and indane by a ring expanded carbene.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","498","500","10.1039/c4dt03489a","","x-ray","0.71073","MoKα","","0.038","0.0341","","","0.0929","0.0947","","","","","","1.082","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033163","15.8412","0.0007","18.6259","0.0007","23.2271","0.0012","90","","90","","90","","6853.3","0.5","150","2","150","2","","","","","","","THF","6","P b c a","-P 2ac 2ab","61","[InBr3(7Dipp)].THF","","","- C33 H50 Br3 In N2 O -","- C33 H50 Br3 In N2 O -","- C264 H400 Br24 In8 N16 O8 -","8","1","","Leverett, Anthony R.; McKay, Alasdair I.; Cole, Marcus L.","The stabilization of gallane and indane by a ring expanded carbene.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","498","500","10.1039/c4dt03489a","","x-ray","0.71073","MoKα","","0.0642","0.0309","","","0.0463","0.0526","","","","","","1.004","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033164","11.614","0.005","12.122","0.005","23.23","0.005","83.501","0.005","86.396","0.005","84.963","0.005","3232","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H15 Ag4 N21 O44 Si W12 -","- C27 H15 Ag4 N21 O44 Si W12 -","- C54 H30 Ag8 N42 O88 Si2 W24 -","2","1","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng; Yu, Lian","Structure refinement and photocatalytic properties of porous POMCPs by selecting the isomerous PYTTZ.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1948","1954","10.1039/c4dt02960g","","","0.7107","MoKα","","0.0665","0.0508","","","0.109","0.1188","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033165","11.446","0.005","12.3","0.005","25.541","0.005","79.495","0.005","78.656","0.005","87.706","0.005","3466","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H15 Ag4 N21 O43 Si W12 -","- C27 H15 Ag4 N21 O43 Si W12 -","- C54 H30 Ag8 N42 O86 Si2 W24 -","2","1","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng; Yu, Lian","Structure refinement and photocatalytic properties of porous POMCPs by selecting the isomerous PYTTZ.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1948","1954","10.1039/c4dt02960g","","","0.7107","MoKα","","0.0978","0.0824","","","0.2185","0.2408","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033166","11.1124","0.0014","23.284","0.003","18.304","0.002","90","","101.943","0.005","90","","4633.5","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 In5 N6 Se9.93 -","- C27 H51 In5 N6 Se9.9266 -","- C108 H204 In20 N24 Se39.7064 -","4","1","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.0511","0.0414","","0.0533","0.0451","0.0439","","","","","","1.0762","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033167","10.9401","0.0008","12.9893","0.0009","18.1462","0.0012","105.196","0.003","100.004","0.003","109.565","0.003","2245.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H51 In5 N6 Se9.26 -","- C27 H51 In5 N6 Se9.256 -","- C54 H102 In10 N12 Se18.512 -","2","1","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.1144","0.061","","0.1151","0.0628","0.0572","","","","","","1.1316","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033168","35.936","0.003","21.7994","0.0015","10.4921","0.0007","90","","91.201","0.003","90","","8217.5","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 In10 N14 Se21 -","- C42 H84 In10 N14 Se21 -","- C168 H336 In40 N56 Se84 -","4","1","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.1222","0.0807","","0.0999","0.0767","0.0721","","","","","","1.1126","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033169","15.123","0.002","20.189","0.002","12.1666","0.0016","90","","98.459","0.006","90","","3674.3","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 In5 N6 Na Se9 -","- C18 H38 In5 N6 Na Se9 -","- C72 H152 In20 N24 Na4 Se36 -","4","0.5","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.0482","0.0304","","0.0434","0.0305","0.0289","","","","","","1.0912","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033170","10.3062","0.0003","13.4581","0.0004","10.5966","0.0003","90","","96.145","0.002","90","","1461.32","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H10 In7 N3 Se12 -","- C2 H10 In7 N3 Se12 -","- C4 H20 In14 N6 Se24 -","2","1","","Ewing, S. J.; Vaqueiro, P.","Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1592","1600","10.1039/c4dt02819h","","","0.71073","MoKα","","0.0492","0.0358","","0.0547","0.0364","0.0344","","","","","","0.9972","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033171","9.7209","0.0004","16.6776","0.0007","17.4452","0.0007","90","","105.202","0.002","90","","2729.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Ag N3 O3 S2 -","- C29 H24 Ag N3 O3 S2 -","- C116 H96 Ag4 N12 O12 S8 -","4","1","","Prakash, Om; Joshi, Hemant; Kumar, Umesh; Sharma, Alpesh K.; Singh, Ajai K.","Acridine based (S,N,S) pincer ligand: designing silver(I) complexes for the efficient activation of A³ (aldehyde, alkyne and amine) coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1962","1968","10.1039/c4dt02813a","","","0.71073","MoKα","","0.0619","0.0414","","","0.1016","0.1115","","","","","","1.04","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033172","8.4602","0.0017","18.321","0.004","16.881","0.004","90","","93.979","0.004","90","","2610.2","1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22.5 Ag N2.5 O3 S2 -","- C28 H22.5 Ag N2.5 O3 S2 -","- C112 H90 Ag4 N10 O12 S8 -","4","2","","Prakash, Om; Joshi, Hemant; Kumar, Umesh; Sharma, Alpesh K.; Singh, Ajai K.","Acridine based (S,N,S) pincer ligand: designing silver(I) complexes for the efficient activation of A³ (aldehyde, alkyne and amine) coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1962","1968","10.1039/c4dt02813a","","","0.71073","MoKα","","0.0543","0.0404","","","0.08","0.0845","","","","","","1.001","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7033173","9.2431","0.0002","9.0085","0.0002","15.7722","0.0003","90","","95.397","0.002","90","","1307.47","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,1-Tris(pyrid-2-yl)ethane","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0405","0.036","","","0.0864","0.0899","","","","","","1.045","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033174","12.0918","0.001","12.7748","0.0008","14.8314","0.0011","90","","112.518","0.009","90","","2116.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,1,1-tris(pyrid-2-yl)ethane]iron(II) diperchlorate tetrakis-acetonitrile solvate","","- C42 H42 Cl2 Fe N10 O8 -","- C42 H42 Cl2 Fe N10 O8 -","- C84 H84 Cl4 Fe2 N20 O16 -","2","0.5","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0785","0.0583","","","0.1364","0.1532","","","","","","1.042","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033175","12.3122","0.0005","12.7314","0.0004","14.6894","0.0006","90","","112.295","0.005","90","","2130.45","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,1,1-tris(pyrid-2-yl)ethane]cobalt(II) diperchlorate tetrakis-acetonitrile solvate","","- C42 H42 Cl2 Co N10 O8 -","- C42 H42 Cl2 Co N10 O8 -","- C84 H84 Cl4 Co2 N20 O16 -","2","0.5","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0606","0.0448","","","0.1044","0.115","","","","","","1.053","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033176","10.9979","0.0002","10.833","0.0002","19.3354","0.0003","90","","92.345","0.001","90","","2301.7","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,1,1-tris(pyrid-2-yl)ethane]cobalt(III) triperchlorate tetrakis-acetonitrile solvate","","- C42 H42 Cl3 Co N10 O12 -","- C42 H42 Cl3 Co N10 O12 -","- C84 H84 Cl6 Co2 N20 O24 -","2","0.5","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0344","0.031","","","0.077","0.0791","","","","","","1.027","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033177","17.1489","0.0004","13.842","0.0003","15.2436","0.0003","90","","95.216","0.002","90","","3603.47","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1,1,1-tri(pyrid-2-yl)ethane]cobalt(III) triperchlorate hydrate","","- C34 H32 Cl3 Co N6 O13 -","- C34 H32 Cl3 Co N6 O13 -","- C136 H128 Cl12 Co4 N24 O52 -","4","1","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0679","0.0539","","","0.1347","0.1461","","","","","","1.035","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033178","9.0049","0.0002","18.4245","0.0003","10.6172","0.0002","90","","112.445","0.002","90","","1628.07","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,1,1-Tris(pyrid-2-yl)ethane]dichloropalladium(II)","","- C17 H15 Cl2 N3 Pd -","- C17 H15 Cl2 N3 Pd -","- C68 H60 Cl8 N12 Pd4 -","4","1","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0254","0.0245","","","0.0636","0.0642","","","","","","1.107","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033179","9.1661","0.0002","10.486","0.0003","16.6632","0.0005","99.769","0.002","104.448","0.002","100.675","0.002","1484.36","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[1,1,1-tris(pyrid-2-yl)ethane]silver(I) nitrate","","- C34 H30 Ag N7 O3 -","- C34 H30 Ag N7 O3 -","- C68 H60 Ag2 N14 O6 -","2","1","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0263","0.0244","","","0.0583","0.0599","","","","","","1.043","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033180","15.7416","0.0002","12.5216","0.0002","17.9084","0.0003","90","","93.379","0.001","90","","3523.79","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Iodo-[1,1,1-tris(pyrid-2-yl)ethane]copper(I) hemi-acetonitrile solvate","","- C18 H16.5 Cu I N3.5 -","- C18 H16.5 Cu I N3.5 -","- C144 H132 Cu8 I8 N28 -","8","1","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0325","0.0321","","","0.0783","0.0784","","","","","","1.353","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033181","38.0784","0.001","12.2951","0.0003","20.3333","0.0005","90","","116.027","0.002","90","","8554.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[iodo/hydroxo(carbonato)-bis-{1,1,1-tris(pyrid-2-yl)ethane}- dicopper(II)] triiodocuprate(I) tetrakis-dimethylformamide solvate hydrate (2/0.4)","","- C82 H89.92 Cu5 I3.88 N16 O11.52 -","- C82 H88 Cu5 I3.88 N16 O11.52 -","- C328 H352 Cu20 I15.52 N64 O46.08 -","4","0.5","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","1.54184","CuKα","","0.0691","0.0465","","","0.1016","0.1127","","","","","","1.018","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033182","10.6195","0.0003","25.6995","0.0007","14.7591","0.0004","90","","103.014","0.003","90","","3924.53","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Carbonato-[1,1,1-tris(pyrid-2-yl)ethane]copper(II) hydrate","","- C18 H23.5 Cu N3 O7.25 -","- C18 H23.5 Cu N3 O7.25 -","- C144 H188 Cu8 N24 O58 -","8","4","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0507","0.041","","","0.0794","0.0859","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033183","12.9173","0.0008","13.3786","0.0011","11.6292","0.0007","90","","103.06","0.006","90","","1957.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Bis[1,1,1-tris(pyrid-2-yl)ethane]copper(II) diiodide octa-hydrate","","- C34 H46 Cu I2 N6 O8 -","- C34 H46 Cu I2 N6 O8 -","- C68 H92 Cu2 I4 N12 O16 -","2","0.25","","Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.","Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1060","1069","10.1039/c4dt02824d","","","0.71073","MoKα","","0.0644","0.0493","","","0.1039","0.1198","","","","","","1.064","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033184","11.4772","0.0008","8.7255","0.0006","15.469","0.001","90","","107.041","0.001","90","","1481.12","0.17","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N4 O6 -","- C12 H12 Cu N4 O6 -","- C48 H48 Cu4 N16 O24 -","4","1","","Draksharapu, Apparao; Boersma, Arnold J.; Leising, Miriam; Meetsma, Auke; Browne, Wesley R.; Roelfes, Gerard","Binding of copper(ii) polypyridyl complexes to DNA and consequences for DNA-based asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3647","3655","10.1039/c4dt02733g","","","0.71073","MoKα","","0.0363","0.0298","","","0.0728","0.0758","","","","","","1.041","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033185","33.8194","0.0006","14.7155","0.0002","15.5146","0.0003","90","","108.585","0.001","90","","7318.5","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 F18 N10 O19 P3 Ru2 -","- C52 H46 F18 N10 O19 P3 Ru2 -","- C208 H184 F72 N40 O76 P12 Ru8 -","4","0.5","","Patel, Jully; Majee, Karunamay; Ahma Combining Dot Below D, Ejaz; Tanaka, Koji; Padhi, Sumanta Kumar","[Ru(V)(NCN-Me)(bpy)([double bond, length as m-dash]O)](3+) Mediates efficient C-H bond oxidation from NADH analogs in aqueous media rather than water oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","920","923","10.1039/c4dt02827a","","","0.71073","MoKα","","0.1052","0.0788","","","0.1685","0.2005","","","","","","1.052","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033186","24.707","0.002","10.3202","0.0008","24.74","0.002","90","","99.361","0.004","90","","6224.2","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 F6 I N5 P Ru -","- C26 H21 F6 I N5 P Ru -","- C208 H168 F48 I8 N40 P8 Ru8 -","8","1","","Patel, Jully; Majee, Karunamay; Ahma Combining Dot Below D, Ejaz; Tanaka, Koji; Padhi, Sumanta Kumar","[Ru(V)(NCN-Me)(bpy)([double bond, length as m-dash]O)](3+) Mediates efficient C-H bond oxidation from NADH analogs in aqueous media rather than water oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","920","923","10.1039/c4dt02827a","","","0.71073","MoKα","","0.0689","0.0681","","","0.1533","0.1536","","","","","","1.009","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033187","15.246","0.016","14.096","0.012","15.181","0.015","90","","119.227","0.014","90","","2847","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 F6.64 N4 P -","- C36 H26 F6.6425 N4 P -","- C144 H104 F26.57 N16 P4 -","4","0.5","","Patel, Jully; Majee, Karunamay; Ahma Combining Dot Below D, Ejaz; Tanaka, Koji; Padhi, Sumanta Kumar","[Ru(V)(NCN-Me)(bpy)([double bond, length as m-dash]O)](3+) Mediates efficient C-H bond oxidation from NADH analogs in aqueous media rather than water oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","920","923","10.1039/c4dt02827a","","","0.71075","MoKα","","0.1374","0.0923","","","0.2398","0.2686","","","","","","0.9162","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033188","9.6878","0.0004","17.3589","0.0007","17.8512","0.0008","90","","101.515","0.0011","90","","2941.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Irpq2acac","","- C37 H30 Ir N3 O2 -","- C37 H30 Ir N3 O2 -","- C148 H120 Ir4 N12 O8 -","4","1","","Zhou, Yuyang; Li, Wanfei; Yu, Linpo; Liu, Yang; Wang, Xiaomei; Zhou, Ming","Highly efficient electrochemiluminescence from iridium(III) complexes with 2-phenylquinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1858","1865","10.1039/c4dt02809k","","","0.71073","MoKα","","0.0186","0.0169","","","0.0413","0.042","","","","","","1.072","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033189","31.483","0.003","20.15","0.0017","10.3174","0.0008","90","","106.166","0.002","90","","6286.4","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H35.5 N1.5 Na O4.5 Rh S -","- C28 H29 N1.5 Na O4.5 Rh S -","- C224 H232 N12 Na8 O36 Rh8 S8 -","8","1","","Matsinha, Leah C.; Mapolie, Selwyn F.; Smith, Gregory S.","Recoverable and recyclable water-soluble sulphonated salicylaldimine Rh(I) complexes for 1-octene hydroformylation in aqueous biphasic media.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1240","1248","10.1039/c4dt02740j","","","0.71073","MoKα","","0.1186","0.0555","","","0.1371","0.1657","","","","","","0.988","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033190","10.594","0.0008","10.7589","0.0009","13.1841","0.0011","107.263","0.002","106.136","0.002","90.37","0.001","1372","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Co6 N48 -","- C36 H24 Co6 N48 -","- C36 H24 Co6 N48 -","1","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping; Gao, En-Qing","3D Co(II) coordination polymer with ferrimagnetic-like layers based on azide and tetrazolate bridges showing slow magnetic dynamics.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","511","514","10.1039/c4dt03332a","","","0.71073","MoKα","","0.1684","0.1043","","","0.2501","0.2902","","","","","","0.902","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033191","13.7981","0.0001","13.0813","0.0001","22.1996","0.0003","90","","91.0696","0.0005","90","","4006.26","0.07","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Au N4 O3 P S -","- C19 H14 Au N4 O3 P S -","- C152 H112 Au8 N32 O24 P8 S8 -","8","1","","Serebryanskaya, Tatiyana V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Schur, Julia; Frias, Corazon; Prokop, Aram; Ott, Ingo","Gold(I) thiotetrazolates as thioredoxin reductase inhibitors and antiproliferative agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1161","1169","10.1039/c4dt03105a","","","0.71073","MoKα","","0.0283","0.021","","","0.0484","0.0505","","","","","","1.004","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033192","12.1507","0.0016","12.4163","0.0016","18.597","0.002","87.084","0.01","83.453","0.01","84.328","0.011","2771.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H166 Mn4 O20 S4 -","- C108 H158 Mn4 O20 S4 -","- C108 H158 Mn4 O20 S4 -","1","0.5","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","1.54178","CuKα","","0.1898","0.0903","","","0.2195","0.2614","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033193","12.6063","0.0005","12.8277","0.0004","19.4569","0.0007","107.436","0.003","107.941","0.003","91.075","0.003","2834.38","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H166 Mn4 O22 S6 -","- C106 H165 Mn4 O22 S6 -","- C106 H165 Mn4 O22 S6 -","1","0.5","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.1131","0.0656","","","0.1705","0.1847","","","","","","0.96","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033194","11.9244","0.0003","13.7635","0.0004","20.6536","0.0006","77.57","0.002","74.825","0.002","76.351","0.002","3136.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H166 Mn4 N4 O18 S8 -","- C112 H166 Mn4 N4 O18 S8 -","- C112 H166 Mn4 N4 O18 S8 -","1","0.5","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.1132","0.0679","","","0.1908","0.2055","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033195","11.7551","0.0004","20.5583","0.0007","21.0755","0.0007","88.406","0.003","86.173","0.003","86.9","0.003","5072.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H137.5 Mn4 N2.5 O14 S4 -","- C101 H137.5 Mn4 N2.5 O14 S4 -","- C202 H275 Mn8 N5 O28 S8 -","2","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.1315","0.0508","","","0.0841","0.0939","","","","","","0.784","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033196","25.2966","0.0003","12.6094","0.0001","34.4646","0.0004","90","","90","","90","","10993.3","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C101 H137.78 Ca2 Mn2 N7 O15.39 S8 -","- C101 H137 Ca2 Mn2 N7 O15.4 S8 -","- C404 H548 Ca8 Mn8 N28 O61.6 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.0637","0.0522","","","0.1372","0.1409","","","","","","1.038","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033197","16.5399","0.0016","17.1006","0.0016","22.1927","0.0019","72.088","0.008","82.292","0.008","85.576","0.008","5914.5","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H130 Ca2 Mn2 N6 O14 S8 -","- C98 H130 Ca2 Mn2 N6 O14 S8 -","- C196 H260 Ca4 Mn4 N12 O28 S16 -","2","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","1.54178","CuKα","","0.1427","0.0976","","","0.2536","0.2758","","","","","","0.921","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033198","34.7547","0.0004","17.0086","0.0002","19.4792","0.0003","90","","99.044","0.001","90","","11371.6","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C104 H146 Ca2 Mn N8 O16 S8 -","- C104 H146 Ca2 Mn N8 O16 S8 -","- C416 H584 Ca8 Mn4 N32 O64 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","0.71073","MoKα","","0.0668","0.0449","","","0.0921","0.0962","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033199","16.8316","0.0005","19.3323","0.0004","34.4393","0.0009","90","","90","","90","","11206.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8 -","- C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8 -","- C410.6 H571.4 Ca8 Mn4 N30.2 O62.2 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","1.54178","CuKα","","0.0969","0.0745","","","0.1841","0.2044","","","","","","0.992","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033200","10.825","0.002","11.204","0.002","15.079","0.003","93.14","0.03","108.64","0.03","114.81","0.03","1534.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 Fe2 N6 O2 -","- C64 H96 Fe2 N6 O2 -","- C64 H96 Fe2 N6 O2 -","1","0.5","","Fohlmeister, Lea; Vignesh, Kuduva R.; Winter, Florian; Moubaraki, Boujemaa; Rajaraman, Gopalan; Pöttgen, Rainer; Murray, Keith S.; Jones, Cameron","Neutral diiron(III) complexes with Fe₂(μ-E)₂ (E = O, S, Se) core structures: reactivity of an iron(I) dimer towards chalcogens.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1700","1708","10.1039/c4dt03081h","","","0.7107","Synchrotron","","0.048","0.0393","","","0.0946","0.0985","","","","","","1.066","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033201","10.5693","0.0006","11.0058","0.0005","15.709","0.0009","70.277","0.003","70.682","0.003","69.339","0.003","1562.3","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 Fe2 N6 S2 -","- C64 H96 Fe2 N6 S2 -","- C64 H96 Fe2 N6 S2 -","1","0.5","","Fohlmeister, Lea; Vignesh, Kuduva R.; Winter, Florian; Moubaraki, Boujemaa; Rajaraman, Gopalan; Pöttgen, Rainer; Murray, Keith S.; Jones, Cameron","Neutral diiron(III) complexes with Fe₂(μ-E)₂ (E = O, S, Se) core structures: reactivity of an iron(I) dimer towards chalcogens.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1700","1708","10.1039/c4dt03081h","","","0.71073","MoKα","","0.0805","0.055","","","0.1112","0.1195","","","","","","1.123","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033202","10.64","0.002","11.02","0.002","15.8","0.003","70.48","0.03","70.7","0.03","69.44","0.03","1586.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 Fe2 N6 Se2 -","- C64 H96 Fe2 N6 Se2 -","- C64 H96 Fe2 N6 Se2 -","1","0.5","","Fohlmeister, Lea; Vignesh, Kuduva R.; Winter, Florian; Moubaraki, Boujemaa; Rajaraman, Gopalan; Pöttgen, Rainer; Murray, Keith S.; Jones, Cameron","Neutral diiron(III) complexes with Fe₂(μ-E)₂ (E = O, S, Se) core structures: reactivity of an iron(I) dimer towards chalcogens.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1700","1708","10.1039/c4dt03081h","","","0.7108","Synchrotron","","0.0323","0.0313","","","0.0789","0.0795","","","","","","1.047","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033203","14.156","0.008","15.315","0.009","5.219","0.003","90","","90","","90","","1131.5","1.1","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H2 Au N4 S4 -","- C8 H2 Au N4 S4 -","- C32 H8 Au4 N16 S16 -","4","0.5","","Fujita, Wataru","Ferromagnetic ordering in the organic radical cation salt BBDTA·Au(CN)2 at 8.2 K.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","903","907","10.1039/c4dt03208j","","","0.71075","MoKα","","","0.0255","","","","0.0585","","","","","","1.024","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033204","7.9728","0.0017","8.7556","0.0019","9.748","0.002","66.953","0.002","88.29","0.002","73.131","0.002","596.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Dysprosium iminodiacetato nitrate hydrate","","- C4 H10 Dy N3 O12 -","- C4 H10 Dy N3 O12 -","- C8 H20 Dy2 N6 O24 -","2","1","","Polido Legaria, Elizabeth; Topel, Seda Demirel; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Molecular insights into the selective action of a magnetically removable complexone-grafted adsorbent.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1273","1282","10.1039/c4dt03096f","","","0.71073","MoKα","","0.046","0.0456","","","0.1219","0.1223","","","","","","1.057","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033205","18.835","0.008","9.133","0.004","19.034","0.008","90","","90","","90","","3274","2","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","lanthanum iminodiacetato nitrate iminodiacetate","","- C12 H38 La2 N6 O31 -","- C12 H37 La2 N6 O31 -","- C48 H148 La8 N24 O124 -","4","0.25","","Polido Legaria, Elizabeth; Topel, Seda Demirel; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Molecular insights into the selective action of a magnetically removable complexone-grafted adsorbent.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1273","1282","10.1039/c4dt03096f","","","0.71073","MoKα","","0.0595","0.0321","","","0.0679","0.074","","","","","","1.032","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033206","13.4441","0.0002","13.4441","0.0002","49.8415","0.001","90","","90","","120","","7801.6","0.2","103","2","103","2","","","","","","","","6","P 65","P 65","170","","","","- C56 H59 I O4 P2 Pd -","- C56 H59 I O4 P2 Pd -","- C336 H354 I6 O24 P12 Pd6 -","6","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","MoKα","","0.0274","0.0259","","","0.0547","0.0553","","","","","","1.07","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033207","10.4536","0.0004","17.2754","0.0006","24.473","0.0009","90","","90","","90","","4419.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pd -","- C43 H41 Cl3 O8 P2 Pd -","- C172 H164 Cl12 O32 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","MoKα","","0.0605","0.0415","","","0.0776","0.088","","","","","","1.013","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033208","10.751","0.002","5.8887","0.0008","19.552","0.003","90","","103.361","0.009","90","","1204.3","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","","","0.1106","0.0648","","","0.1045","0.1236","","","","","","0.99","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033209","5.6363","0.0004","12.4972","0.0011","18.9559","0.0017","103.051","0.006","96.273","0.005","102.019","0.005","1254.98","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","","","0.0775","0.0502","","","0.1138","0.1272","","","","","","1.043","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033210","9.0898","0.0003","10.2902","0.0003","13.0414","0.0004","80.2999","0.0011","89.0859","0.0011","64.1607","0.001","1079.91","0.06","","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl3 F N4 -","- C24 H16 Cl3 F N4 -","- C48 H32 Cl6 F2 N8 -","2","1","","Elguraish, Ismail; Zhu, Kelong; Hernandez, Leslie A.; Amarne, Hazem; Luo, Jingwei; Vukotic, V. Nicholas; Loeb, Stephen J.","Assembly of a M4L4 ""folded-cube"" using a T-shaped, right-angled ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","898","902","10.1039/c4dt03198a","","","1.54178","CuKα","","0.0579","0.0537","","","0.151","0.1578","","","","","","1.0513","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033211","18.484","0.004","54.534","0.011","18.076","0.004","90","","103.4","0.03","90","","17725","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H67.33 Mo6 N10.67 O32.83 Zn -","- C49.96 H37.98 Mo6 N8.66 O28.33 Zn -","- C399.68 H303.84 Mo48 N69.28 O226.64 Zn8 -","8","1","","Liu, Jian-Jun; Wang, Yao; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Photogeneration of two reduction-active charge-separated states in a hybrid crystal of polyoxometalates and naphthalene diimides.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","484","487","10.1039/c4dt03029j","","","0.71073","MoKα","","0.115","0.1003","","","0.2996","0.3179","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033212","8.0564","0.0016","13.093","0.003","16.894","0.003","90","","97.39","0.03","90","","1767.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl6 I2 N2 -","- C10 H8 Cl6 I2 N2 -","- C40 H32 Cl24 I8 N8 -","4","1","","Shaw, Andrew J. M.; Corbo, Robert; Wilson, David J. D.; Dutton, Jason L.","A 2,2'-bipyridine coordination complex of [ICl2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15083","15087","10.1039/c4dt03549f","","","0.71073","MoKα","","0.0273","0.0228","","","0.0536","0.0557","","","","","","1.044","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033213","11.666","0.002","7.9147","0.0016","13.981","0.003","90","","97.62","0.03","90","","1279.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl2 I N2 -","- C10 H9 Cl2 I N2 -","- C40 H36 Cl8 I4 N8 -","4","1","","Shaw, Andrew J. M.; Corbo, Robert; Wilson, David J. D.; Dutton, Jason L.","A 2,2'-bipyridine coordination complex of [ICl2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15083","15087","10.1039/c4dt03549f","","","0.71073","MoKα","","0.0264","0.0226","","","0.0495","0.0515","","","","","","1.082","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033214","14.863","0.003","8.7539","0.0018","18.783","0.004","90","","108.06","0.03","90","","2323.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H35 Cl4 I N -","- C16 H35 Cl4 I N -","- C64 H140 Cl16 I4 N4 -","4","1","","Shaw, Andrew J. M.; Corbo, Robert; Wilson, David J. D.; Dutton, Jason L.","A 2,2'-bipyridine coordination complex of [ICl2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15083","15087","10.1039/c4dt03549f","","","0.71073","MoKα","","0.0579","0.0401","","","0.0974","0.1049","","","","","","1.037","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033215","13.6005","0.0005","13.6005","0.0005","11.9425","0.0003","90","","90","","120","","1913.09","0.11","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C39 H36 Mo N6 O3 S3 -","- C39 H36 Mo N6 O3 S3 -","- C78 H72 Mo2 N12 O6 S6 -","2","0.333333","","Sengupta, Dolan; Gangopadhyay, Snigdha; Drew, Michael G. B.; Gangopadhyay, Pijush Kanti","Thiohydrazide complexes of molybdenum and their relevance to reduction of dinitrogen to ammonia.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1323","1331","10.1039/c4dt01945h","","","0.71073","MoKα","","0.0582","0.0423","","","0.0888","0.097","","","","","","1.013","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033216","7.7621","0.0003","31.6938","0.0014","12.2898","0.0005","90","","90","","90","","3023.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Mo N6 O4 S3 -","- C27 H27 Mo N6 O4 S3 -","- C108 H108 Mo4 N24 O16 S12 -","4","1","","Sengupta, Dolan; Gangopadhyay, Snigdha; Drew, Michael G. B.; Gangopadhyay, Pijush Kanti","Thiohydrazide complexes of molybdenum and their relevance to reduction of dinitrogen to ammonia.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1323","1331","10.1039/c4dt01945h","","","0.71073","MoKα","","0.0969","0.0706","","","0.1716","0.1801","","","","","","1.027","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7033217","7.2719","0.0004","8.8902","0.0007","10.5788","0.0007","68.497","0.007","87.429","0.005","71.028","0.006","599.59","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Mo2 N2 O9 S3 -","- C18 H20 Mo2 N2 O9 S3 -","- C18 H20 Mo2 N2 O9 S3 -","1","0.5","","Sengupta, Dolan; Gangopadhyay, Snigdha; Drew, Michael G. B.; Gangopadhyay, Pijush Kanti","Thiohydrazide complexes of molybdenum and their relevance to reduction of dinitrogen to ammonia.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1323","1331","10.1039/c4dt01945h","","","0.71073","MoKα","","0.036","0.0316","","","0.0809","0.0832","","","","","","0.762","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033218","11.3481","0.0007","16.8174","0.0011","14.9469","0.001","90","","106.564","0.001","90","","2734.2","0.3","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br N3 Pt -","- C32 H26 Br N3 Pt -","- C128 H104 Br4 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","0.71073","MoKα","","0.049","0.0328","","","0.0886","0.0932","","","","","","0.956","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033219","11.2555","0.0002","16.6139","0.0002","14.7861","0.0003","90","","107.167","0.003","90","","2641.78","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N3 Pt -","- C32 H26 Cl N3 Pt -","- C128 H104 Cl4 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","0.71073","MoKα","","0.0523","0.0345","","","0.0571","0.0647","","","","","","1.051","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033220","10.03668","0.0001","32.6946","0.0002","11.23058","0.00011","90","","112.991","0.0011","90","","3392.54","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cl2 N3 Pt -","- C41 H33 Cl2 N3 Pt -","- C164 H132 Cl8 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","1.5418","CuKα","","0.0417","0.0407","","","0.091","0.0915","","","","","","1.072","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033221","11.1357","0.0003","17.1603","0.0004","14.9407","0.0004","90","","105.474","0.003","90","","2751.56","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Br N3 Pt -","- C34 H26 Br N3 Pt -","- C136 H104 Br4 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","0.7107","MoKα","","0.0428","0.038","","","0.1626","0.1682","","","","","","0.976","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033222","11.4645","0.0002","10.03648","0.00015","18.1023","0.0003","90","","103.23","0.0016","90","","2027.62","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N3 Pt -","- C22 H22 Cl N3 Pt -","- C88 H88 Cl4 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","0.71073","MoKα","","0.0301","0.0265","","","0.0666","0.0691","","","","","","1.064","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033223","11.255","0.0002","14.2139","0.0003","15.1471","0.0004","90","","106.113","0.002","90","","2328","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl N3 Pt -","- C28 H24 Cl N3 Pt -","- C112 H96 Cl4 N12 Pt4 -","4","1","","Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.","Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7152","7162","10.1039/c4dt03106g","","","0.71073","MoKα","","0.0408","0.027","","","0.0532","0.058","","","","","","1.065","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033224","8.5706","0.0017","9.7965","0.0019","15.534","0.004","85.46","0.02","78.36","0.02","74.18","0.02","1228.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu2 N4 O7 -","- C24 H22 Cu2 N4 O7 -","- C48 H44 Cu4 N8 O14 -","2","1","","Bikas, Rahman; Aleshkevych, Pavlo; Hosseini-Monfared, Hassan; Sanchiz, Joaquín; Szymczak, Ritta; Lis, Tadeusz","Synthesis, structure, magnetic properties and EPR spectroscopy of a copper(II) coordination polymer with a ditopic hydrazone ligand and acetate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1782","1789","10.1039/c4dt03060e","","","0.71073","MoKα","","0.041","0.0349","","","0.1048","0.1067","","","","","","1.138","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033225","17.266","0.004","28.026","0.006","23.327","0.005","90","","106.97","0.03","90","","10796","4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[CrIII4DyIII4F4(OMe)1.12(OH)2.88(O2CPh)8(mdea)4]","","","- C78.75 H101 Cr4 Dy4 F4 N4 O30.25 -","- C78.75 H94.75 Cr4 Dy4 F4 N4 O30.25 -","- C315 H379 Cr16 Dy16 F16 N16 O121 -","4","1","","Langley, Stuart K.; Forsyth, Craig M.; Moubaraki, Boujemaa; Murray, Keith S.","A fluoride bridged {Cr(III)4Dy(III)4} single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","912","915","10.1039/c4dt03100h","","","0.71079","synchrotron","","0.0713","0.0534","","","0.1482","0.1563","","","","","","1.045","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033226","5.1659","0.0004","16.9904","0.001","12.269","0.0008","90","","93.238","0.005","90","","1075.14","0.13","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Ul Islam, Rafique; Taher, Abu; Choudhary, Meenakshi; Witcomb, Michael J.; Mallick, Kaushik","A polymer supported Cu(I) catalyst for the 'click reaction' in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1341","1349","10.1039/c4dt02962c","","","1.54178","CuKα","","0.057","0.0369","","","0.0737","0.0811","","","","","","1.079","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033227","9.3678","0.0005","11.1675","0.0006","13.9177","0.0007","70.867","0.005","83.835","0.004","69.788","0.005","1290.84","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 Cd2 N10 O12 -","- C58 H38 Cd2 N10 O12 -","- C58 H38 Cd2 N10 O12 -","1","0.5","","Jiao, Shu-Yan; Li, Kun; Zhang, Wei; Liu, Yan-Hong; Huang, Zeng; Yu, Xiao-Qi","Cd(II)-terpyridine-based complex as a ratiometric fluorescent probe for pyrophosphate detection in solution and as an imaging agent in living cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1358","1365","10.1039/c4dt03022b","","x-ray","1.54184","CuKα","","0.0461","0.0446","","","0.1135","0.1155","","","","","","1.045","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033228","7.7883","0.0005","15.5419","0.001","14.6518","0.0009","90","","101.984","0.003","90","","1734.87","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N8 O2 -","- C20 H14 N8 O2 -","- C80 H56 N32 O8 -","4","1","","Hurley, Nicholas J.; Rawson, Jeremy M.; Pilkington, Melanie","3,3'-di(pyrazinamoyl)-2,2'-bipyridine: rational ligand design for the self-assembly of a 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1866","1874","10.1039/c4dt03220a","","","0.71073","MoKα","","0.1105","0.0954","","","0.2013","0.2146","","","","","","1.425","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033229","10.1126","0.0016","12.3344","0.0019","14.39","0.002","94.368","0.006","101.891","0.004","112.023","0.004","1604.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 Cl2 Cu6 N16 O19 -","- C54 H52 Cl2 Cu6 N16 O19 -","- C54 H52 Cl2 Cu6 N16 O19 -","1","0.5","","Hurley, Nicholas J.; Rawson, Jeremy M.; Pilkington, Melanie","3,3'-di(pyrazinamoyl)-2,2'-bipyridine: rational ligand design for the self-assembly of a 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1866","1874","10.1039/c4dt03220a","","","0.71073","MoKα","","0.1607","0.1096","","","0.218","0.2575","","","","","","1.214","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033230","20.74985","0.00019","10.42825","0.00008","17.69608","0.00016","90","","102.442","0.0009","90","","3739.23","0.06","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33.57 H34.13 B2 Cu F8 N6 O6 -","- C33.56 H33.68 B2 Cu F8 N6 O6 -","- C134.24 H134.72 B8 Cu4 F32 N24 O24 -","4","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","1.5418","CuKα","","0.083","0.0803","","","0.2317","0.2343","","","","","","1.05","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033231","20.7553","0.0003","10.309","0.00012","17.8036","0.0002","90","","103.278","0.0013","90","","3707.54","0.08","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 B2 Cu F8 N6 O7 -","- C33 H38 B2 Cu F8 N6 O7 -","- C132 H152 B8 Cu4 F32 N24 O28 -","4","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.7107","MoKα","","0.0556","0.0434","","","0.0991","0.1055","","","","","","1.042","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033232","10.538","0.005","15.04","0.007","27.068","0.014","90","","99.311","0.008","90","","4234","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.68 H48.73 B2 F8 Fe N6 O7.68 -","- C38.684 H48.736 B2 F8 Fe N6 O7.684 -","- C154.736 H194.944 B8 F32 Fe4 N24 O30.736 -","4","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.71073","MoKα","","0.0809","0.0589","","","0.1608","0.1757","","","","","","1.043","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033233","13.353","0.006","13.488","0.006","13.681","0.006","61.283","0.007","69.065","0.014","68.674","0.011","1962.1","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cl2 Fe N7 O16 -","- C36 H42 Cl2 Fe N7 O16 -","- C72 H84 Cl4 Fe2 N14 O32 -","2","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.71073","MoKα","","0.0646","0.0429","","","0.103","0.1152","","","","","","1.033","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033234","8.40726","0.00019","14.6959","0.0003","15.2169","0.0004","79.632","0.002","84.43","0.002","76.8063","0.0018","1797.49","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Cl2 Fe N6 O5 -","- C33 H34 Cl1.97 Fe N6 O5 -","- C66 H68 Cl3.94 Fe2 N12 O10 -","2","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.7107","MoKα","","0.0775","0.0659","","","0.1307","0.1346","","","","","","1.21","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033235","20.546","0.002","15.8473","0.0017","23.647","0.002","90","","104.361","0.012","90","","7458.8","1.3","200","2","200","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H76 Cl6 Mn3 N12 O13 -","- C69 H76 Cl6 Mn3 N12 O13 -","- C276 H304 Cl24 Mn12 N48 O52 -","4","1","","Comba, Peter; Rudolf, Henning; Wadepohl, Hubert","Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2724","2736","10.1039/c4dt03262d","","x-ray","0.71073","MoKα","","0.1033","0.0473","","","0.1073","0.119","","","","","","0.795","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7033236","8.6031","0.0005","8.5338","0.0005","13.3805","0.0008","90","","106.795","0.001","90","","940.46","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Cu10 N32 O20 S4 -","- C8 H12 Cu10 N32 O20 S4 -","- C8 H12 Cu10 N32 O20 S4 -","1","0.25","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0263","0.0228","","","0.0515","0.0532","","","","","","1.018","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033237","11.6119","0.0006","8.6116","0.0005","8.8761","0.0005","90","","90","","90","","887.58","0.09","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5.4 H9.6 Cl2 Cu3 N16 O1.4 -","- C5.4 H9.6 Cl2 Cu3 N16 O1.4 -","- C10.8 H19.2 Cl4 Cu6 N32 O2.8 -","2","0.25","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0369","0.0342","","","0.0982","0.1026","","","","","","1.211","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033238","6.7311","0.0007","7.4805","0.001","9.6521","0.001","90","","90","","90","","486","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0289","0.0263","","","0.0571","0.058","","","","","","1.066","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033239","12.3275","0.0003","12.3275","0.0003","12.5415","0.0007","90","","90","","120","","1650.56","0.11","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C3 H4.33 Cl0.33 Cu1.67 N12 O1.33 -","- C3 H3 Cl0.33 Cu1.66667 N12 O1.33733 -","- C18 H18 Cl1.98 Cu10 N72 O8.024 -","6","0.5","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0651","0.0575","","","0.1247","0.129","","","","","","1.166","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033240","13.9645","0.0012","17.4923","0.0014","18.6694","0.0018","90","","107.017","0.003","90","","4360.7","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cl N4 O2 P Ru -","- C48 H56 Cl N4 O2 P Ru -","- C192 H224 Cl4 N16 O8 P4 Ru4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.0502","0.0338","","","0.0764","0.0836","","","","","","1.019","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033241","14.687","0.002","16.729","0.002","24.285","0.003","90","","101.749","0.008","90","","5841.8","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H80 Cl N4 O2 P Ru -","- C63 H80 Cl N4 O2 P Ru -","- C252 H320 Cl4 N16 O8 P4 Ru4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.0889","0.0479","","","0.1058","0.1244","","","","","","1.01","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033242","8.8552","0.0011","11.862","0.0015","19.312","0.003","80.115","0.007","89.229","0.006","69.025","0.006","1863.5","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H50 Cl F N4 O2 Ru S -","- C38 H50 Cl F N4 O2 Ru S -","- C76 H100 Cl2 F2 N8 O4 Ru2 S2 -","2","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.0785","0.0486","","","0.1044","0.1172","","","","","","1.032","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033243","8.7968","0.0003","11.7375","0.0004","19.4493","0.0007","79.242","0.002","88.387","0.001","68.968","0.001","1839.81","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H49 Cl N4 O2 Ru S -","- C38 H49 Cl N4 O2 Ru S -","- C76 H98 Cl2 N8 O4 Ru2 S2 -","2","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.0818","0.048","","","0.0966","0.1107","","","","","","1.024","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033244","25.516","0.0018","8.8783","0.0006","38.627","0.003","90","","90","","90","","8750.5","1.1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H55 Cl N4 O2 Ru S -","- C40 H55 Cl N4 O2 Ru S -","- C320 H440 Cl8 N32 O16 Ru8 S8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.1231","0.0655","","","0.124","0.1399","","","","","","1.082","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033245","13.166","0.003","34.112","0.007","10.078","0.002","90","","90","","90","","4526.2","1.7","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H43 Eu N8 O15 -","- C44 H33 Eu N8 O11 -","- C176 H132 Eu4 N32 O44 -","4","0.5","","Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin","Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1955","1961","10.1039/c4dt02048k","","","0.71073","MoKα","","0.1498","0.0764","","","0.1858","0.2236","","","","","","1.005","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033246","13.138","0.003","33.947","0.007","10.013","0.002","90","","90","","90","","4465.8","1.6","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H43 Er N8 O15 -","- C44 H33 Er N8 O10 -","- C176 H132 Er4 N32 O40 -","4","0.5","","Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin","Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1955","1961","10.1039/c4dt02048k","","","0.71073","MoKα","","0.0735","0.0466","","","0.1221","0.1367","","","","","","1.07","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033247","9.826","0.002","11.358","0.002","11.609","0.002","66.07","0.03","84.95","0.03","78.63","0.03","1161","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N5 O6 -","- C25 H25 N5 O6 -","- C50 H50 N10 O12 -","2","1","","Zhu, Yu; Wang, Yanmei; Liu, Pan; Xia, Changkun; Wu, Yunlong; Lu, Xiaoqing; Xie, Jimin","Two chelating-amino-functionalized lanthanide metal-organic frameworks for adsorption and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1955","1961","10.1039/c4dt02048k","","","0.71073","MoKα","","0.0583","0.0442","","","0.1092","0.1176","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033248","19.3418","0.0006","20.3706","0.0005","25.5215","0.0007","90","","97.939","0.002","90","","9959.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H72 Cu3 F18 N24 P3 -","- C81 H72 Cu3 F18 N24 P3 -","- C324 H288 Cu12 F72 N96 P12 -","4","0.5","","Liu, Bo; Ma, Xueji; Wu, Feifei; Chen, Wanzhi","Simple synthesis of neutral and cationic Cu-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1836","1844","10.1039/c4dt02986k","","","0.71073","MoKα","","0.0945","0.0703","","","0.1771","0.1884","","","","","","1.029","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033249","23.3578","0.0014","12.8016","0.0006","17.0511","0.0009","90","","116.39","0.007","90","","4567.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Cu2 F12 N10 P2 -","- C38 H50 Cu2 F12 N10 P2 -","- C152 H200 Cu8 F48 N40 P8 -","4","0.5","","Liu, Bo; Ma, Xueji; Wu, Feifei; Chen, Wanzhi","Simple synthesis of neutral and cationic Cu-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1836","1844","10.1039/c4dt02986k","","","0.71073","MoKα","","0.0752","0.0566","","","0.1425","0.1579","","","","","","0.994","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033250","8.0418","0.0007","7.8054","0.0006","26.761","0.002","90","","102.099","0.004","90","","1642.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 Cu2 N6 O14 -","- C22 H30 Cl2 Cu2 N6 O14 -","- C44 H60 Cl4 Cu4 N12 O28 -","2","0.5","","Santra, Ramesh Chandra; Ganguly, Durba; Singh, Jyotsna; Mukhopadhyay, Kasturi; Das, Saurabh","A study on the formation of the nitro radical anion by ornidazole and its significant decrease in a structurally characterized binuclear Cu(II)-complex: impact in biology.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1992","2000","10.1039/c4dt03362k","","","0.71073","MoKα","","0.0134","0.0133","","","0.0464","0.0469","","","","","","1.112","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033251","16.0685","0.0017","14.6258","0.0012","9.3457","0.0009","90","","117.798","0.008","90","","1942.9","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Mg N3 O5 -","- C20 H14 Mg N3 O5 -","- C80 H56 Mg4 N12 O20 -","4","0.5","","Gao, Yanfei; Zhang, Xueqiong; Sun, Wei; Liu, Zhiliang","A robust microporous metal-organic framework as a highly selective and sensitive, instantaneous and colorimetric sensor for Eu³⁺ ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1845","1849","10.1039/c4dt02752c","","","0.71073","MoKα","","0.0787","0.0654","","","0.1958","0.2148","","","","","","1.073","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033252","9.404","0.002","9.566","0.002","23.669","0.005","95.622","0.012","93.532","0.012","113.85","0.01","1926","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H57 N5 O3 Zr -","- C35 H57 N5 O3 Zr -","- C70 H114 N10 O6 Zr2 -","2","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.0696","0.0579","","","0.1586","0.1671","","","","","","1.061","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033253","12.9434","0.0004","13.0067","0.0004","13.2036","0.0004","78.088","0.002","79.204","0.001","78.61","0.002","2107.1","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H70 N6 O2 Zr -","- C43 H70 N6 O2 Zr -","- C86 H140 N12 O4 Zr2 -","2","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.0606","0.0369","","","0.0745","0.0796","","","","","","1.012","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033254","22.458","0.004","14.207","0.002","23.79","0.004","90","","90","","90","","7590","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H54 N6 O Zr -","- C38 H54 N6 O Zr -","- C304 H432 N48 O8 Zr8 -","8","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.1988","0.1042","","","0.1912","0.2266","","","","","","1.129","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033255","9.2892","0.0003","15.7009","0.0005","10.0808","0.0003","90","","114.068","0.002","90","","1342.45","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N5 O Zr -","- C29 H41 N5 O Zr -","- C58 H82 N10 O2 Zr2 -","2","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.035","0.0287","","","0.0615","0.0635","","","","","","1.01","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033256","19.1789","0.0013","22.2219","0.0015","20.174","0.0013","90","","91.993","0.001","90","","8592.8","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C148 H126 Br10 Cl8 Na2 O36 Sb14 Te6 -","- C148 H118 Br10 Cl8 Na2 O36 Sb14 Te6 -","- C296 H236 Br20 Cl16 Na4 O72 Sb28 Te12 -","2","0.5","","Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan","Assembling anionic Sb(v)/(iii) containing polyoxostibonates stabilized by triphenyltellurium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6358","6362","10.1039/c4dt03319a","","","0.71073","MoKα","","0.0868","0.0554","","","0.1335","0.1503","","","","","","1.03","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033257","16.709","0.002","16.711","0.002","19.386","0.002","90","","90.193","0.002","90","","5413","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H104 O16 Sb8 Te4 -","- C120 H100 O16 Sb8 Te4 -","- C240 H200 O32 Sb16 Te8 -","2","0.5","","Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan","Assembling anionic Sb(v)/(iii) containing polyoxostibonates stabilized by triphenyltellurium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6358","6362","10.1039/c4dt03319a","","","0.71073","MoKα","","0.0495","0.0442","","","0.1032","0.1061","","","","","","1.123","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033258","10.0016","0.0011","10.2378","0.0011","19.241","0.002","80.038","0.001","84.446","0.001","61.917","0.001","1711.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Fe6","","","- C72 H48 Cl12 Fe6 N12 -","- C72 H48 Cl12 Fe6 N12 -","- C72 H48 Cl12 Fe6 N12 -","1","0.5","","Qin, Lei; Zhang, Zhong; Zheng, Zhiping; Speldrich, Manfred; Kögerler, Paul; Xue, Wei; Wang, Bao-Ying; Chen, Xiao-Ming; Zheng, Yan-Zhen","Dynamic magnetism of an iron(II)-chlorido spin chain and its hexametallic segment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1456","1464","10.1039/c4dt02599g","","","0.71073","MoKα","","0.0393","0.0354","","","0.0866","0.0883","","","","","","1.148","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033259","12.1607","0.0013","14.9974","0.0017","14.0496","0.0016","90","","90.071","0.001","90","","2562.3","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 F6 N6 O3 P Re -","- C23 H16 F6 N6 O3 P Re -","- C92 H64 F24 N24 O12 P4 Re4 -","4","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.0385","0.0247","","","0.0493","0.0539","","","","","","1.021","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033260","9.2488","0.0013","22.212","0.003","14.293","0.002","90","","91.906","0.002","90","","2934.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl2 F3 N6 O6 Re S -","- C23 H18 Cl2 F3 N6 O6 Re S -","- C92 H72 Cl8 F12 N24 O24 Re4 S4 -","4","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.0533","0.0422","","","0.1042","0.11","","","","","","1.085","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033261","20.7999","0.0012","11.1806","0.0005","26.1866","0.0014","90","","99.901","0.005","90","","5999.1","0.6","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Cl3 D F6 N6 O4 P Re -","- C25 H16 Cl3 D F6 N6 O4 P Re -","- C200 H128 Cl24 D8 F48 N48 O32 P8 Re8 -","8","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.1115","0.0548","","","0.0876","0.0969","","","","","","0.937","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033262","23.0576","0.0009","16.6963","0.0005","15.9749","0.0006","90","","97.077","0.004","90","","6103.1","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl3 F6 N6 O4 P Re -","- C23 H17 Cl3 F6 N6 O4 P Re -","- C184 H136 Cl24 F48 N48 O32 P8 Re8 -","8","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.0771","0.0598","","","0.1206","0.1263","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033263","18.0672","0.0006","9.848","0.0002","16.8781","0.0006","90","","114.201","0.004","90","","2739.12","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F6 N6 O5 P Re -","- C25 H18 F6 N6 O5 P Re -","- C100 H72 F24 N24 O20 P4 Re4 -","4","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.0599","0.036","","","0.0914","0.096","","","","","","0.967","","","","has coordinates","194003","2020-10-21","18:00:00",""
"7033264","10.6468","0.0001","13.1055","0.0001","19.448","0.0001","90","","91.955","0.001","90","","2712.03","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F6 N6 O5 P Re -","- C23 H18 F6 N6 O5 P Re -","- C92 H72 F24 N24 O20 P4 Re4 -","4","1","","Werrett, Melissa V.; Huff, Gregory S.; Muzzioli, Sara; Fiorini, Valentina; Zacchini, Stefano; Skelton, Brian W.; Maggiore, Antonio; Malicka, Joanna M.; Cocchi, Massimo; Gordon, Keith C.; Stagni, Stefano; Massi, Massimiliano","Methylated Re(i) tetrazolato complexes: photophysical properties and Light Emitting Devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8379","8393","10.1039/c4dt03228d","","","0.71073","MoKα","","0.034","0.0197","","","0.0392","0.04","","","","","","0.874","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033265","13.159","0.003","21.825","0.005","11.63","0.002","90","","111.039","0.003","90","","3117.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 B10 N S -","- C9 H17 B10 N S -","- C72 H136 B80 N8 S8 -","8","2","","Xu, Bin; Wang, Yin-Ping; Yao, Zi-Jian; Jin, Guo-Xin","Metal-induced B-H bond activation: reactions between half-sandwich Ir and Rh complexes with carboranylthioamide.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1530","1533","10.1039/c4dt03624g","","","0.71073","MoKα","","0.0848","0.053","","","0.1516","0.1743","","","","","","1.037","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033266","11.0619","0.0005","12.3967","0.0006","21.8454","0.0011","90","","91.673","0.001","90","","2994.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 B10 Ir N2 S -","- C26 H35 B10 Ir N2 S -","- C104 H140 B40 Ir4 N8 S4 -","4","1","","Xu, Bin; Wang, Yin-Ping; Yao, Zi-Jian; Jin, Guo-Xin","Metal-induced B-H bond activation: reactions between half-sandwich Ir and Rh complexes with carboranylthioamide.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1530","1533","10.1039/c4dt03624g","","","0.71073","MoKα","","0.0298","0.0201","","","0.0546","0.0585","","","","","","1.061","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033267","10.4066","0.0008","12.2023","0.001","13.2217","0.0011","71.889","0.001","85.155","0.001","67.032","0.001","1468","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 B10 N2 Rh S -","- C26 H35 B10 N2 Rh S -","- C52 H70 B20 N4 Rh2 S2 -","2","1","","Xu, Bin; Wang, Yin-Ping; Yao, Zi-Jian; Jin, Guo-Xin","Metal-induced B-H bond activation: reactions between half-sandwich Ir and Rh complexes with carboranylthioamide.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1530","1533","10.1039/c4dt03624g","","","0.71073","MoKα","","0.0733","0.0692","","","0.2064","0.2157","","","","","","1.114","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033268","9.557","0.002","28.87","0.007","10.398","0.002","90","","95.087","0.004","90","","2857.6","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 B10 Cl N Rh S -","- C22 H38 B10 Cl N Rh S -","- C88 H152 B40 Cl4 N4 Rh4 S4 -","4","1","","Xu, Bin; Wang, Yin-Ping; Yao, Zi-Jian; Jin, Guo-Xin","Metal-induced B-H bond activation: reactions between half-sandwich Ir and Rh complexes with carboranylthioamide.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1530","1533","10.1039/c4dt03624g","","","0.71073","MoKα","","0.1336","0.0758","","","0.1825","0.2136","","","","","","1.073","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033269","12.955","0.002","16.894","0.003","25.673","0.005","90","","100.016","0.004","90","","5533.2","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B12 Cl2 F4 N4 -","- C51 H64 B12 Cl2 F4 N4 -","- C204 H256 B48 Cl8 F16 N16 -","4","1","","Jin, Guo Fan; Cho, Yang-Jin; Wee, Kyung-Ryang; Hong, Seong Ahn; Suh, Il-Hwan; Son, Ho-Jin; Lee, Jong-Dae; Han, Won-Sik; Cho, Dae Won; Kang, Sang Ook","BODIPY functionalized o-carborane dyads for low-energy photosensitization.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2780","2787","10.1039/c4dt03123g","","","0.71073","MoKα","","0.145","0.082","","","0.2328","0.2879","","","","","","1.035","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033270","14.8711","0.0017","9.5972","0.0011","19.615","0.002","90","","91.761","0.003","90","","2798.1","0.5","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H70 K4 Nb6 O39 Rh2 -","- C20 H30 K4 Nb6 O39 Rh2 -","- C40 H60 K8 Nb12 O78 Rh4 -","2","0.5","","Abramov, P. A.; Sokolov, M. N.; Virovets, A. V.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Vicent, C.; Fedin, V. P.","Grafting {Cp*Rh}(2+) on the surface of Nb and Ta Lindqvist-type POM.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2234","2239","10.1039/c4dt03339f","","","0.71073","MoKα","","0.0994","0.0659","","","0.1302","0.1425","","","","","","1.097","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033271","9.5851","0.001","10.5155","0.0011","14.6458","0.0015","95.814","0.003","99.365","0.003","98.708","0.003","1427.7","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H66 Cs4 O37 Rh2 Ta6 -","- C20 H30 Cs4 O37 Rh2 Ta6 -","- C20 H30 Cs4 O37 Rh2 Ta6 -","1","0.5","","Abramov, P. A.; Sokolov, M. N.; Virovets, A. V.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Vicent, C.; Fedin, V. P.","Grafting {Cp*Rh}(2+) on the surface of Nb and Ta Lindqvist-type POM.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2234","2239","10.1039/c4dt03339f","","","0.71073","MoKα","","0.0738","0.0481","","","0.0937","0.1061","","","","","","1.034","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033272","7.4739","0.0002","10.2275","0.0003","10.4806","0.0003","106.722","0.002","109.032","0.002","101.98","0.002","683.94","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 Mg2 N2 O6 -","- C22 H42 Mg2 N2 O6 -","- C22 H42 Mg2 N2 O6 -","1","0.5","","Kim, Hyo-Suk; George, Sheby Mary; Park, Bo Keun; Son, Seung Uk; Kim, Chang Gyoun; Chung, Taek-Mo","New heteroleptic magnesium complexes for MgO thin film application.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2103","2109","10.1039/c4dt03497j","","","0.71073","MoKα","","0.0588","0.0496","","","0.1463","0.1559","","","","","","1.059","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033273","9.9012","0.0003","10.0337","0.0004","11.2703","0.0004","91.692","0.002","108.897","0.002","108.191","0.002","995.68","0.06","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H66 Mg2 N2 O6 -","- C34 H66 Mg2 N2 O6 -","- C34 H66 Mg2 N2 O6 -","1","0.5","","Kim, Hyo-Suk; George, Sheby Mary; Park, Bo Keun; Son, Seung Uk; Kim, Chang Gyoun; Chung, Taek-Mo","New heteroleptic magnesium complexes for MgO thin film application.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2103","2109","10.1039/c4dt03497j","","","0.71073","MoKα","","0.0866","0.0505","","","0.1143","0.1278","","","","","","1.048","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033274","10.638","0.0007","12.5358","0.0007","19.0696","0.0013","95.97","0.005","96.832","0.005","99.253","0.005","2472.4","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24.5 N2.5 O5 Re -","- C28 H24.5 N2.5 O5 Re -","- C112 H98 N10 O20 Re4 -","4","2","","Hayne, David J.; North, Andrea J.; Fodero-Tavoletti, Michelle; White, Jonathan M.; Hung, Lin W.; Rigopoulos, Angela; McLean, Catriona A.; Adlard, Paul A.; Ackermann, Uwe; Tochon-Danguy, Henri; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Rhenium and technetium complexes that bind to amyloid-β plaques.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","4933","4944","10.1039/c4dt02969k","","","1.5418","CuKα","","0.0525","0.04","","","0.0911","0.0999","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033275","13.3527","0.0003","14.7033","0.0003","17.0611","0.0003","90","","91.244","0.002","90","","3348.8","0.12","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 F3 N3 O6 Re S -","- C31 H27 N3 O3 Re -","- C124 H108 N12 O12 Re4 -","4","1","","Hayne, David J.; North, Andrea J.; Fodero-Tavoletti, Michelle; White, Jonathan M.; Hung, Lin W.; Rigopoulos, Angela; McLean, Catriona A.; Adlard, Paul A.; Ackermann, Uwe; Tochon-Danguy, Henri; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.","Rhenium and technetium complexes that bind to amyloid-β plaques.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","4933","4944","10.1039/c4dt02969k","","","0.7107","MoKα","","0.0514","0.0384","","","0.0996","0.1063","","","","","","1.056","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033276","10.237","0.002","10.517","0.002","12.56","0.003","67.4","0.03","85.63","0.03","72.11","0.03","1186.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N2 O8 -","- C26 H22 Cd N2 O8 -","- C52 H44 Cd2 N4 O16 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang","Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1636","1645","10.1039/c4dt03271c","","","0.71073","MoKα","","0.0344","0.0288","","","0.0686","0.0717","","","","","","1.051","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033277","15.109","0.003","13.165","0.003","25.9","0.005","90","","102.14","0.03","90","","5036.6","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N3 O9 -","- C26 H21 Cd N3 O9 -","- C208 H168 Cd8 N24 O72 -","8","1","","Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang","Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1636","1645","10.1039/c4dt03271c","","","0.71073","MoKα","","0.0427","0.0342","","","0.0692","0.0722","","","","","","1.113","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033278","10.293","0.002","13.662","0.003","16.976","0.003","84.12","0.03","78.31","0.03","84.81","0.03","2319.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Cd2 N4 O12 -","- C54 H43 Cd2 N4 O12 -","- C108 H86 Cd4 N8 O24 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang","Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1636","1645","10.1039/c4dt03271c","","","0.71073","MoKα","","0.0677","0.0519","","","0.137","0.1499","","","","","","1.028","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033279","10.266","0.002","13.899","0.003","16.102","0.003","90","","101.31","0.03","90","","2252.9","0.8","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H40.5 Cd2 N4 O12.25 -","- C52 H40.5 Cd2 N4 O12.25 -","- C104 H81 Cd4 N8 O24.5 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang","Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1636","1645","10.1039/c4dt03271c","","","0.71073","MoKα","","0.0355","0.0263","","","0.0573","0.0645","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033280","6.4235","0.0013","13.158","0.003","14.84","0.003","87.94","0.03","78.26","0.03","83.9","0.03","1221","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N2 O7 -","- C26 H22 Cd N2 O7 -","- C52 H44 Cd2 N4 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Ma, Feng-Ji; Li, Ya-Ru; Han, Jing-Jing; Lin, Lu; Ma, Lu-Fang","Structural diversity and photocatalytic properties of Cd(II) coordination polymers constructed by a flexible V-shaped bipyridyl benzene ligand and dicarboxylate derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1636","1645","10.1039/c4dt03271c","","","0.71073","MoKα","","0.0217","0.0199","","","0.0483","0.0496","","","","","","1.037","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033281","10.835","0.002","11.819","0.002","15.214","0.003","90","","92.989","0.002","90","","1945.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","di(Iodo)-(1,4,10,13-tetraoxa-7,16-diselena18-crown-6)-ytterbium(ii)","di(Iodo)-(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)-ytterbium(ii)","","- C12 H24 I2 O4 Se2 Yb -","- C12 H24 I2 O4 Se2 Yb -","- C48 H96 I8 O16 Se8 Yb4 -","4","0.5","","Bartlett, Philip N.; Champion, Martin J. D.; Light, Mark E.; Levason, William; Reid, Gillian; Richardson, Peter W.","Divalent ytterbium complexes with crown and heterocrown ethers.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2953","2955","10.1039/c4dt03462g","","","0.71073","MoKα","","0.0341","0.0339","","","0.091","0.0914","","","","","","1.151","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033282","10.929","0.003","9.981","0.004","27.219","0.007","90","","90","","90","","2969.1","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N2 S2 Tl -","- C14 H13 N2 S2 Tl -","- C112 H104 N16 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.1387","0.0809","","","0.1891","0.2278","","","","","","0.951","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033283","10.8429","0.0014","9.9762","0.0017","27.222","0.003","90","","90","","90","","2944.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N3 S2 Tl -","- C13 H12 N3 S2 Tl -","- C104 H96 N24 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.116","0.0724","","","0.1697","0.1902","","","","","","1.079","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033284","15.7835","0.0008","10.772","0.0005","9.8639","0.0004","90","","101.993","0.004","90","","1640.45","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N2 O2 S2 Tl -","- C15 H13 N2 O2 S2 Tl -","- C60 H52 N8 O8 S8 Tl4 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.0816","0.0506","","","0.0958","0.1069","","","","","","0.996","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033285","9.6634","0.0008","10.5339","0.0014","37.35","0.004","90","","90","","90","","3802","0.7","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C18 H17 Fe N2 S2 Tl -","- C18 H17 Fe N2 S2 Tl -","- C144 H136 Fe8 N16 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.0876","0.0523","","","0.1137","0.1275","","","","","","1.006","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033286","8.4558","0.0006","27.6843","0.0013","28.3435","0.0016","90","","90","","90","","6635","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","C1; CuCltpypo","Chloro tris(2-pyridyl)phosphineoxide copper(I)","","- C16 H13.5 Cl Cu N3.5 O P -","- C16 H13.5 Cl Cu N3.5 O P -","- C256 H216 Cl16 Cu16 N56 O16 P16 -","16","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0911","0.0658","","","0.1534","0.1677","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033287","8.5684","0.001","28.964","0.003","14.501","0.002","90","","106.175","0.005","90","","3456.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C2; CuBrtpypo","Bromo tris(2-pyridyl)phosphineoxide copper(I)","","- C16.5 H14.25 Br Cu N3.75 O P -","- C16.5 H14.25 Br Cu N3.75 O P -","- C132 H114 Br8 Cu8 N30 O8 P8 -","8","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.1393","0.061","","","0.0912","0.1068","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033288","8.6959","0.0003","29.6332","0.0011","14.5579","0.0006","90","","105.894","0.003","90","","3608","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C3, CuItpypo","Iodo tris(2-pyridyl)phosphineoxide copper(I)","","- C16.5 H14.25 Cu I N3.75 O P -","- C16.5 H14.25 Cu I N3.75 O P -","- C132 H114 Cu8 I8 N30 O8 P8 -","8","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0707","0.03","","","0.0451","0.0492","","","","","","0.689","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033289","15.0776","0.0012","30.28","0.002","8.6832","0.0004","90","","90","","90","","3964.3","0.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","C4; CuCltpyps","Chloro tris(2-pyridyl)phosphinesulfide copper(I)","","- C18 H16.5 Cl Cu N4.5 P S -","- C18 H16.5 Cl Cu N4.5 P S -","- C144 H132 Cl8 Cu8 N36 P8 S8 -","8","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.1226","0.0417","","","0.0583","0.0703","","","","","","0.715","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033290","8.5838","0.0003","15.2046","0.0007","17.8716","0.0006","90","","103.386","0.003","90","","2269.11","0.15","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","C5, CuBrtpyps","Bromo tris(2-pyridyl)phosphinesulfide copper(I)","","- C20 H19.5 Br Cu N5.5 P S -","- C20 H19.5 Br Cu N5.5 P S -","- C80 H78 Br4 Cu4 N22 P4 S4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.076","0.0522","","","0.1145","0.1196","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033291","13.2413","0.0005","15.7217","0.0006","25.7987","0.0011","90","","90","","90","","5370.7","0.4","100","2","100","2","","","","","","","","7","P c 21 b","P -2bc -2c","29","C6, CuItpyps","Iodo tris(2-pyridyl)phosphinesulfide copper(I)","","- C15.66667 H13 Cu I N3.33333 P S -","- C15.6667 H13 Cu I N3.33333 P S -","- C188 H156 Cu12 I12 N40 P12 S12 -","12","3","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0551","0.0376","","","0.0796","0.0822","","","","","","0.747","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033292","8.7685","0.0003","15.6075","0.0005","18.0144","0.0008","90","","104.011","0.003","90","","2392","0.16","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","C7, CuItpypse","Iodo tris(2-pyridyl)phosphineselenide copper(I)","","- C20 H19.5 Cu I N5.5 P Se -","- C20 H19.5 Cu I N5.5 P Se -","- C80 H78 Cu4 I4 N22 P4 Se4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.044","0.0298","","","0.0592","0.0613","","","","","","0.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033293","8.7081","0.0004","29.7666","0.0014","14.5936","0.0009","90","","105.559","0.004","90","","3644.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C8; CuItpyaso","Iodo tris(2-pyridyl)arsineoxide copper(I)","","- C16.5 H14.25 As Cu I N3.75 O -","- C16.5 H14.25 As Cu I N3.75 O -","- C132 H114 As8 Cu8 I8 N30 O8 -","8","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.1118","0.058","","","0.1315","0.1465","","","","","","0.764","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033294","14.7528","0.0004","13.4193","0.0003","16.001","0.0004","90","","90.266","0.002","90","","3167.72","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C9, CuItpym","Iodo tris(2-pyridyl)methane copper(I)","","- C16 H13 Cu I N3 -","- C16 H13 Cu I N3 -","- C128 H104 Cu8 I8 N24 -","8","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0369","0.0274","","","0.0705","0.0745","","","","","","1.098","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033295","9.1529","0.0009","9.1102","0.0006","16.0342","0.0016","90","","100.982","0.008","90","","1312.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tpyas","Tris(2-pyridyl)arsine","","- C15 H12 As N3 -","- C15 H12 As N3 -","- C60 H48 As4 N12 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71073","MoKα","","0.0338","0.0254","","","0.0645","0.0666","","","","","","0.965","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033296","13.288","0.005","40.706","0.005","9.1","0.005","90","0.005","95.255","0.005","90","0.005","4902","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(4-(diphenylamino)thienyl)-2,2':6',2''-terpyridine","","- C31 H22 N4 S -","- C31 H22 N4 S -","- C248 H176 N32 S8 -","8","2","","Tan, Jingyun; Li, Rui; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhou, Hongping; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng","Thiophene-based terpyridine and its zinc halide complexes: third-order nonlinear optical properties in the near-infrared region.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1473","1482","10.1039/c4dt02933j","","","0.71069","MoKα","","0.1352","0.0561","","","0.1387","0.1912","","","","","","0.907","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033297","11.166","0.005","11.25","0.005","12.045","0.005","95.908","0.005","91.729","0.005","111.298","0.005","1398.5","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 Cl2 N4 S Zn -","- C31 H22 Cl2 N4 S Zn -","- C62 H44 Cl4 N8 S2 Zn2 -","2","1","","Tan, Jingyun; Li, Rui; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhou, Hongping; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng","Thiophene-based terpyridine and its zinc halide complexes: third-order nonlinear optical properties in the near-infrared region.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1473","1482","10.1039/c4dt02933j","","","0.71069","MoKα","","0.084","0.0459","","","0.1222","0.1566","","","","","","0.909","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033298","13.682","0.006","15.253","0.007","18.373","0.009","103.092","0.006","99.474","0.006","113.806","0.006","3273","3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 I2 N5 S Zn -","- C33 H25 I2 N5 S Zn -","- C132 H100 I8 N20 S4 Zn4 -","4","2","","Tan, Jingyun; Li, Rui; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhou, Hongping; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng","Thiophene-based terpyridine and its zinc halide complexes: third-order nonlinear optical properties in the near-infrared region.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1473","1482","10.1039/c4dt02933j","","","0.71073","MoKα","","0.0922","0.0478","","","0.1189","0.1412","","","","","","1.004","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033299","11.489","0.005","12.26","0.005","12.884","0.005","86.754","0.005","66.599","0.005","84.488","0.005","1657.5","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 N7 S3 Zn -","- C35 H25 N7 S3 Zn -","- C70 H50 N14 S6 Zn2 -","2","1","","Tan, Jingyun; Li, Rui; Li, Dandan; Zhang, Qiong; Li, Shengli; Zhou, Hongping; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng","Thiophene-based terpyridine and its zinc halide complexes: third-order nonlinear optical properties in the near-infrared region.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1473","1482","10.1039/c4dt02933j","","","0.71069","MoKα","","0.054","0.0382","","","0.1096","0.1215","","","","","","0.993","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033300","7.6658","0.0003","10.5251","0.0006","18.754","0.0006","90","","90","","90","","1513.13","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N3 Ni O5 -","- C11 H20 Cl N3 Ni O5 -","- C44 H80 Cl4 N12 Ni4 O20 -","4","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0338","0.0302","","","0.0784","0.0815","","","","","","1.087","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033301","10.2345","0.0002","11.2429","0.0002","14.6064","0.0002","90","","94.104","0.001","90","","1676.38","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H39 Cl3 N3 Ni O16 S4 -","- C14 H39 Cl3 N3 Ni O16 S4 -","- C28 H78 Cl6 N6 Ni2 O32 S8 -","2","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0383","0.0363","","","0.0975","0.0998","","","","","","1.051","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033302","10.1342","0.0002","17.1147","0.0003","21.5781","0.0004","90","","90","","90","","3742.59","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Cl N3 Ni O5 -","- C16 H21 Cl N3 Ni O5 -","- C128 H168 Cl8 N24 Ni8 O40 -","8","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","1.5418","CuKα","","0.0546","0.0469","","","0.14","0.149","","","","","","1.063","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033303","15.8598","0.0003","9.9515","0.0002","10.9722","0.0002","90","","90","","90","","1731.73","0.06","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H19 N6 Ni O S3 -","- C10 H19 N6 Ni O S3 -","- C40 H76 N24 Ni4 O4 S12 -","4","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0252","0.0243","","","0.0624","0.0634","","","","","","1.068","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033304","10.22","0.002","12.408","0.003","21.148","0.004","99.29","0.03","96.54","0.03","97.36","0.03","2599.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H41 Cd3 N4 O15.5 -","- C54 H38 Cd3 N4 O15.5 -","- C108 H76 Cd6 N8 O31 -","2","1","","Wang, Yan-Ning; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","4-(4-carboxyphenoxy)phthalate-based coordination polymers and their application in sensing nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1655","1663","10.1039/c4dt02762k","","","0.71073","MoKα","","0.0424","0.0339","","","0.0892","0.0931","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033305","14.5688","0.0007","14.2833","0.0009","9.8497","0.0006","90","","100.28","0.003","90","","2016.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Mn2 N2 O16 -","- C43 H32 Mn2 N2 O16 -","- C86 H64 Mn4 N4 O32 -","2","0.5","","Wang, Yan-Ning; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","4-(4-carboxyphenoxy)phthalate-based coordination polymers and their application in sensing nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1655","1663","10.1039/c4dt02762k","","","0.71073","MoKα","","0.0675","0.0605","","","0.1666","0.1746","","","","","","1.048","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033306","37.162","0.005","8.603","0.005","20.236","0.005","90","0.005","100.733","0.005","90","0.005","6356","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cu N6 O9 S -","- C27 H36 Cu N6 O9 S -","- C216 H288 Cu8 N48 O72 S8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Naked-eye detection and thermochromic properties of Cu(II)-3,3'-thiodipropionate complexes with benzimidazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1627","1635","10.1039/c4dt02119c","","","0.71069","MoKα","","0.2281","0.0951","","","0.1528","0.2416","","","","","","1.023","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033307","10.1535","0.0005","16.3971","0.0007","15.7138","0.0007","90","","106.707","0.002","90","","2505.7","0.2","293","2","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cu N4 O8 S -","- C20 H28 Cu N4 O8 S -","- C80 H112 Cu4 N16 O32 S4 -","4","0.5","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Naked-eye detection and thermochromic properties of Cu(II)-3,3'-thiodipropionate complexes with benzimidazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1627","1635","10.1039/c4dt02119c","","","0.71073","MoKα","","0.0727","0.0564","","","0.1077","0.1182","","","","","","1.091","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033308","55.192","0.011","62.235","0.012","80.147","0.016","90","","90","","90","","275295","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C360 H464 Cd24 Eu8 N24 O144 -","- C360 H464 Cd24 Eu8 N24 O144 -","- C5760 H7424 Cd384 Eu128 N384 O2304 -","16","0.5","","Brown, Katherine A.; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Jones, Richard A.","A self-assembling lanthanide molecular nanoparticle for optical imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2667","2675","10.1039/c4dt02646b","","","0.710747","MoKα","","0.15","0.0862","","","0.2309","0.2713","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033309","20.5325","0.0019","9.3801","0.0009","19.4895","0.0015","90","","90","","90","","3753.6","0.6","90","","90","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Br Cu P2 -","- C42 H48 Br Cu P2 -","- C168 H192 Br4 Cu4 P8 -","4","1","","Osawa, Masahisa; Hoshino, Mikio; Hashimoto, Masashi; Kawata, Isao; Igawa, Satoshi; Yashima, Masataka","Application of three-coordinate copper(i) complexes with halide ligands in organic light-emitting diodes that exhibit delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8369","8378","10.1039/c4dt02853h","","","0.7107","MoKα","","","0.0342","","","","0.0619","","","","","","0.979","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033310","10.9793","0.0018","16.526","0.003","22.757","0.004","90","","90","","90","","4129.1","1.2","296","2","296","2","","","","","","","","8","I 2 2 2","I 2 2","23","","","","- C10 H44 Ga2 Mn3 N10 O2 S10 Sn2 -","- C10 H44 Ga1.999 Mn3.01 N10 O1.3 S10 Sn2 -","- C40 H176 Ga7.996 Mn12.04 N40 O5.2 S40 Sn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Feng, Li-Juan; Wang, Chen; Gong, Ya-Ping; Liu, Xin-Ying","[Mn2Ga4Sn4S20](8-) T3 supertetrahedral nanocluster directed by a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2416","2424","10.1039/c4dt02864c","","","0.71073","MoKα","","0.0437","0.0327","","","0.09","0.0972","","","","","","1.012","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033311","27.616","0.002","13.5823","0.0011","26.546","0.003","90","","119.135","0.001","90","","8697.3","1.4","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H54 Ga2 Mn3 N12 O S10 Sn2 -","- C16 H54 Ga2.0002 Mn2.995 N12 O S10 Sn2 -","- C128 H432 Ga16.0016 Mn23.96 N96 O8 S80 Sn16 -","8","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Feng, Li-Juan; Wang, Chen; Gong, Ya-Ping; Liu, Xin-Ying","[Mn2Ga4Sn4S20](8-) T3 supertetrahedral nanocluster directed by a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2416","2424","10.1039/c4dt02864c","","","0.71073","MoKα","","0.0459","0.0325","","","0.0788","0.0859","","","","","","1.032","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033312","16.569","0.005","16.569","0.005","12.637","0.004","90","","90","","90","","3469.3","1.8","296","2","296","2","","","","","","","","7","P -4 b 2","P -4 -2ab","117","","","","- C12 H36 Ga2 Mn3 N8 S10 Sn2 -","- C12 H36 Ga2.0001 Mn2.9999 N8 S10 Sn2 -","- C48 H144 Ga8.0004 Mn11.9996 N32 S40 Sn8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Feng, Li-Juan; Wang, Chen; Gong, Ya-Ping; Liu, Xin-Ying","[Mn2Ga4Sn4S20](8-) T3 supertetrahedral nanocluster directed by a series of transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2416","2424","10.1039/c4dt02864c","","","0.71073","MoKα","","0.0273","0.0228","","","0.0535","0.0555","","","","","","1.048","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033313","13.518","0.005","13.518","0.005","26.42","0.005","90","0.005","90","0.005","90","0.005","4828","3","298","2","298","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H6 N6 O4.5 S Zn2 -","- C10.5 H6 N6 O4.5 S Zn2 -","- C84 H48 N48 O36 S8 Zn16 -","8","0.5","","Liu, Fu-Hong; Qin, Chao; Ding, Yan; Wu, Han; Shao, Kui-Zhan; Su, Zhong-Min","Pillared metal organic frameworks for the luminescence sensing of small molecules and metal ions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1754","1760","10.1039/c4dt02961e","","","0.71073","MoKα","","0.0803","0.0691","","","0.1709","0.1758","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033314","13.642","0.003","13.642","0.003","35.545","0.011","90","","90","","90","","6615","3","296","2","296","2","","","","","","","","5","P 4/n c c","-P 4a 2ac","130","","","","- C18 H12 N6 O4 Zn2 -","- C18 H12 N6 O4 Zn2 -","- C144 H96 N48 O32 Zn16 -","8","","","Liu, Fu-Hong; Qin, Chao; Ding, Yan; Wu, Han; Shao, Kui-Zhan; Su, Zhong-Min","Pillared metal organic frameworks for the luminescence sensing of small molecules and metal ions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1754","1760","10.1039/c4dt02961e","","","0.71073","MoKα","","0.1179","0.0637","","","0.1481","0.1689","","","","","","1.017","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033315","8.5714","0.0011","10.4125","0.0013","14.2062","0.0018","77.81","0.001","78.493","0.001","82.488","0.001","1209.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N2 O3 Pt -","- C26 H32 N2 O3 Pt -","- C52 H64 N4 O6 Pt2 -","2","1","","Ko, Soo-Byung; Park, Hee-Jun; Gong, Shaolong; Wang, Xiang; Lu, Zheng-Hong; Wang, Suning","Blue phosphorescent N-heterocyclic carbene chelated Pt(ii) complexes with an α-duryl-β-diketonato ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8433","8443","10.1039/c4dt03085k","","","0.71073","MoKα","","0.0211","0.0185","","","0.04","0.041","","","","","","1.106","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033316","24.1524","0.0008","13.0815","0.0004","27.3864","0.0009","90","","101.612","0.002","90","","8475.6","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 O2 Pt Si -","- C28 H36 N2 O2 Pt Si -","- C336 H432 N24 O24 Pt12 Si12 -","12","3","","Ko, Soo-Byung; Park, Hee-Jun; Gong, Shaolong; Wang, Xiang; Lu, Zheng-Hong; Wang, Suning","Blue phosphorescent N-heterocyclic carbene chelated Pt(ii) complexes with an α-duryl-β-diketonato ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8433","8443","10.1039/c4dt03085k","","","0.71073","MoKα","","0.0837","0.0645","","","0.1563","0.1648","","","","","","1.135","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7033317","8.9207","0.0011","23.567","0.003","16.0637","0.0019","90","","104.889","0.009","90","","3263.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 N5 O4 -","- C37 H37 N5 O4 -","- C148 H148 N20 O16 -","4","1","","Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Mukherjee, Manjira; Banerjee, Samya; Chattopadhyay, Pabitra","Effect of metal oxidation state on FRET: a Cu(I) silent but selectively Cu(II) responsive fluorescent reporter and its bioimaging applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1761","1768","10.1039/c4dt03381g","","","0.71073","MoKα","","0.1777","0.0761","","","0.1818","0.2397","","","","","","1.017","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033318","9.24804","0.00017","10.08252","0.00018","12.06452","0.00019","111.258","0.0016","99.3817","0.0014","98.2152","0.0015","1009.1","0.03","295.9","","295.9","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Au Cl2 N2 P -","- C21 H16 Au Cl2 N2 P -","- C42 H32 Au2 Cl4 N4 P2 -","2","1","","Galassi, Rossana; Oumarou, Camille Simon; Burini, Alfredo; Dolmella, Alessandro; Micozzi, Daniela; Vincenzetti, Silvia; Pucciarelli, Stefania","A study on the inhibition of dihydrofolate reductase (DHFR) from Escherichia coli by gold(i) phosphane compounds. X-ray crystal structures of (4,5-dichloro-1H-imidazolate-1-yl)-triphenylphosphane-gold(i) and (4,5-dicyano-1H-imidazolate-1-yl)-triphenylphosphane-gold(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3043","3056","10.1039/c4dt01542h","","","0.7107","MoKα","","0.0335","0.0276","","","0.0626","0.0653","","","","","","1.032","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033319","6.68635","0.00013","12.1176","0.00016","26.3295","0.0004","90","","90","","90","","2133.28","0.06","297.6","","297.6","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Au N4 P -","- C23 H16 Au N4 P -","- C92 H64 Au4 N16 P4 -","4","1","","Galassi, Rossana; Oumarou, Camille Simon; Burini, Alfredo; Dolmella, Alessandro; Micozzi, Daniela; Vincenzetti, Silvia; Pucciarelli, Stefania","A study on the inhibition of dihydrofolate reductase (DHFR) from Escherichia coli by gold(i) phosphane compounds. X-ray crystal structures of (4,5-dichloro-1H-imidazolate-1-yl)-triphenylphosphane-gold(i) and (4,5-dicyano-1H-imidazolate-1-yl)-triphenylphosphane-gold(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3043","3056","10.1039/c4dt01542h","","","0.7107","MoKα","","0.0322","0.0262","","","0.0522","0.054","","","","","","1.071","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033320","10.7772","0.001","11.8843","0.0011","32.324","0.003","97.47","0.006","94.477","0.006","106.833","0.005","3899.7","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Co2(LClO-tmpa)(Cl2(MeOH/H2O)2]PF6","","","- C66 H72 Cl6 Co4 F12 N12 O6 P2 -","- C66 H72 Cl6 Co4 F12 N12 O6 P2 -","- C132 H144 Cl12 Co8 F24 N24 O12 P4 -","2","1","","Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.","Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2110","2121","10.1039/c4dt03508a","","","0.71073","MoKα","","0.1023","0.0705","","","0.1821","0.2168","","","","","","1.047","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033321","13.4024","0.0005","18.0346","0.0007","32.6751","0.0012","90","","98.282","0.002","90","","7815.4","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Ni2(LClO-bdpa)(CH3OH)2Cl2]PF6","","","- C34 H38 Cl3 F6 N6 Ni2 O3 P -","- C34 H38 Cl3 F6 N6 Ni2 O3 P -","- C272 H304 Cl24 F48 N48 Ni16 O24 P8 -","8","1","","Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.","Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2110","2121","10.1039/c4dt03508a","","","0.71073","MoKα","","0.0505","0.0344","","","0.096","0.1086","","","","","","0.993","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033322","10.356","0.0005","19.7894","0.0009","19.0876","0.0009","90","","96.752","0.002","90","","3884.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni2(LClO-tmpa)Cl2(H2O)(MeOH)]ClO4.xH2O","","","- C132 H144 Cl16 N24 Ni8 O33 -","- C132 H144 Cl16 N24 Ni8 O33 -","- C132 H144 Cl16 N24 Ni8 O33 -","1","0.25","","Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.","Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2110","2121","10.1039/c4dt03508a","","","0.71073","MoKα","","0.078","0.0481","","","0.1203","0.1381","","","","","","1.046","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033323","12.0536","0.0005","24.9462","0.0011","12.084","0.0005","90","","103.631","0.002","90","","3531.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Cu2(LClO-tmpa)Cl2]Pf6.1/2MeOH","","","- C65 H64 Cl6 Cu4 F12 N12 O3 P2 -","- C65 H64 Cl6 Cu4 F12 N12 O3 P2 -","- C130 H128 Cl12 Cu8 F24 N24 O6 P4 -","2","0.5","","Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.","Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2110","2121","10.1039/c4dt03508a","","","0.71073","MoKα","","0.0445","0.0322","","","0.0808","0.094","","","","","","1.137","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033324","12.1205","0.0004","24.9231","0.0008","12.2116","0.0003","90","","103.081","0.002","90","","3593.16","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Zn2(LClO-bdpa)Cl2]PF6.MeOH","","","- C33 H34 Cl3 F6 N6 O2 P Zn2 -","- C33 H34 Cl3 F6 N6 O2 P Zn2 -","- C132 H136 Cl12 F24 N24 O8 P4 Zn8 -","4","1","","Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.","Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2110","2121","10.1039/c4dt03508a","","","0.71073","MoKα","","0.0386","0.0276","","","0.0715","0.0819","","","","","","1.103","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033325","14.377","0.0009","10.7747","0.0007","9.6613","0.0006","90","","102.826","0.001","90","","1459.27","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br Mn N3 O3 -","- C13 H11 Br Mn N3 O3 -","- C52 H44 Br4 Mn4 N12 O12 -","4","1","","Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.","Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2122","2131","10.1039/c4dt03079f","","","0.71073","MoKα","","0.0371","0.0302","","","0.081","0.0838","","","","","","1.018","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033326","16.1045","0.0007","11.0234","0.0005","8.8519","0.0004","90","","97.966","0.001","90","","1556.28","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Mn N4 O3 S -","- C14 H11 Mn N4 O3 S -","- C56 H44 Mn4 N16 O12 S4 -","4","1","","Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.","Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2122","2131","10.1039/c4dt03079f","","","0.71073","MoKα","","0.026","0.0235","","","0.065","0.0668","","","","","","1.024","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033327","14.4018","0.0015","10.6199","0.0011","9.3898","0.001","90","","100.955","0.0017","90","","1410","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Mn N4 O3 -","- C14 H11 Mn N4 O3 -","- C56 H44 Mn4 N16 O12 -","4","1","","Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.","Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2122","2131","10.1039/c4dt03079f","","","0.71073","MoKα","","0.0741","0.0462","","","0.1063","0.1196","","","","","","1.03","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033328","7.9754","0.0009","8.7199","0.001","12.8037","0.0015","83.171","0.002","84.768","0.002","79.192","0.002","866.26","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Br Mn N3 O3 -","- C17 H13 Br Mn N3 O3 -","- C34 H26 Br2 Mn2 N6 O6 -","2","1","","Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.","Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2122","2131","10.1039/c4dt03079f","","","0.71073","MoKα","","0.0353","0.0292","","","0.0723","0.0746","","","","","","1.052","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033329","9.231","0.0009","9.9773","0.0009","12.0386","0.0011","85.5287","0.0013","74.4239","0.0013","69.7291","0.0013","1001.75","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl2 Mn N4 O3 -","- C19 H15 Cl2 Mn N4 O3 -","- C38 H30 Cl4 Mn2 N8 O6 -","2","1","","Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.","Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2122","2131","10.1039/c4dt03079f","","","0.71073","MoKα","","0.0356","0.0292","","","0.0741","0.0779","","","","","","1.04","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033330","17.2044","0.0009","25.9374","0.0014","14.6116","0.0008","90","","100.672","0.006","90","","6407.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H14 Cu2 N4 O9 -","- C22 H14 Cu2 N4 O9 -","- C88 H56 Cu8 N16 O36 -","4","0.5","","Zhu, Shu-Lan; Ou, Sha; Zhao, Min; Shen, Hong; Wu, Chuan-De","A porous metal-organic framework containing multiple active Cu(2+) sites for highly efficient cross dehydrogenative coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2038","2041","10.1039/c4dt03371j","","","1.54178","CuKα","","0.1055","0.0881","","","0.2086","0.2199","","","","","","1.048","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033335","15.946","0.0003","14.2772","0.0003","13.6634","0.0003","90","","91.8108","0.0017","90","","3109.11","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[C1mim]3Nd(NO3)6","","- C15 H27 N12 Nd O18 -","- C15 H27 N12 Nd O18 -","- C60 H108 N48 Nd4 O72 -","4","1","","He, Ling; Ji, Shun-Ping; Tang, Ning; Zhao, Ying; Tao, Guo-Hong","Synthesis, structure and near-infrared photoluminescence of hexanitratoneodymate ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2325","2332","10.1039/c4dt03294b","","","0.7107","MoKα","","0.0744","0.036","","","0.0887","0.1098","","","","","","1.074","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033336","26.783","0.003","26.783","0.003","26.783","0.003","90","","90","","90","","19212","4","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C84 H60 O36 Zr6 -","- C84 H59.92 O36 Zr6 -","- C336 H239.68 O144 Zr24 -","4","0.0208333","","Ko, Nakeun; Hong, Jisu; Sung, Siyoung; Cordova, Kyle E.; Park, Hye Jeong; Yang, Jin Kuk; Kim, Jaheon","A significant enhancement of water vapour uptake at low pressure by amine-functionalization of UiO-67.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2047","2051","10.1039/c4dt02582b","","","0.67","synchrotron","","0.0529","0.0491","","","0.1845","0.189","","","","","","1.083","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033337","10.411","0.002","14.051","0.003","15.034","0.003","115.27","0.03","92.53","0.03","110.65","0.03","1811.1","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Co N6 O6 -","- C42 H37 Co N6 O6 -","- C84 H74 Co2 N12 O12 -","2","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K.","Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2852","2864","10.1039/c4dt03468f","","","0.71073","MoKα","","0.0682","0.0505","","","0.1295","0.1425","","","","","","1.046","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033338","24.5589","0.0017","24.5589","0.0017","19.3712","0.0013","90","","90","","120","","10118.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H19 Co N2 O6 -","- C24 H19 Co N2 O6 -","- C432 H342 Co18 N36 O108 -","18","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K.","Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2852","2864","10.1039/c4dt03468f","","","0.71073","MoKα","","0.0463","0.0367","","","0.0975","0.1034","","","","","","1.037","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033339","10.0917","0.0019","15.319","0.003","17.538","0.003","70.053","0.003","79.573","0.003","86.827","0.003","2506.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H38 Co2 N8 O14 -","- C53 H38 Co2 N8 O14 -","- C106 H76 Co4 N16 O28 -","2","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Bommakanti, Suresh; Das, Samar K.","Synthesis, characterization and magnetism of metal-organic compounds: role of the positions of the coordinating groups of a meso-flexible ligand in placing anisotropy to exhibit spin-canting behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2852","2864","10.1039/c4dt03468f","","","0.71073","MoKα","","0.1001","0.0922","","","0.2145","0.2187","","","","","","1.194","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033340","8.733","0.0008","8.9376","0.0008","16.4561","0.0014","86.862","0.001","76.791","0.001","80.608","0.001","1233.48","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cu4 N21 Na -","- C12 H18 Cu4 N21 Na -","- C24 H36 Cu8 N42 Na2 -","2","1","","Feng, Yaya; Liu, Xiangyu; Duan, Linqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Xuwu; Gao, Shengli","In situ synthesized 3D heterometallic metal-organic framework (MOF) as a high-energy-density material shows high heat of detonation, good thermostability and insensitivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2333","2339","10.1039/c4dt03131h","","","0.71073","MoKα","","0.0466","0.0379","","","0.1037","0.115","","","","","","1.077","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033341","10.2945","0.0007","11.0569","0.0007","19.0658","0.0012","76.279","0.001","85.693","0.001","86.84","0.001","2100.7","0.2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H104 N12 O U2 -","- C92 H104 N12 O U2 -","- C92 H104 N12 O U2 -","1","0.5","","Diaconescu, Paula L.; Cummins, Christopher C.","Radical anionic versus neutral 2,2'-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2676","2683","10.1039/c4dt02422b","","","0.71073","MoKα","","0.03","0.0272","","","0.0685","0.0698","","","","","","1.077","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033342","12.7236","0.0015","13.1198","0.0016","21.535","0.003","96.427","0.002","103.92","0.002","112.905","0.002","3128.1","0.7","187","2","187","2","","","","","","","","4","P -1","-P 1","2","","","","- C143 H194 N10 U2 -","- C143 H194 N10 U2 -","- C143 H194 N10 U2 -","1","0.5","","Diaconescu, Paula L.; Cummins, Christopher C.","Radical anionic versus neutral 2,2'-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2676","2683","10.1039/c4dt02422b","","","0.71073","MoKα","","0.0701","0.0625","","","0.1523","0.1569","","","","","","1.085","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033343","15.989","0.002","17.136","0.002","25.732","0.004","90","","98.46","0.002","90","","6973.5","1.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 N7 U -","- C62 H76 N7 U -","- C248 H304 N28 U4 -","4","1","","Diaconescu, Paula L.; Cummins, Christopher C.","Radical anionic versus neutral 2,2'-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2676","2683","10.1039/c4dt02422b","","","0.71073","MoKα","","0.0433","0.0316","","","0.0889","0.093","","","","","","1.056","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033344","12.987","0.003","21.245","0.004","19.761","0.004","90","","97.038","0.003","90","","5411.2","1.9","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 I N5 U -","- C52 H68 I N5 U -","- C208 H272 I4 N20 U4 -","4","1","","Diaconescu, Paula L.; Cummins, Christopher C.","Radical anionic versus neutral 2,2'-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2676","2683","10.1039/c4dt02422b","","","0.71073","MoKα","","0.0324","0.0246","","","0.0604","0.0625","","","","","","1.031","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033345","9.3134","0.0008","12.3928","0.0009","16.8732","0.0013","93.869","0.009","97.99","0.01","90.512","0.01","1923.9","0.3","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.7 H49.4 Cu2 F6 N8 O13 S2 -","- C23.7 H48.1 Cu2 F6 N8 O13 S2 -","- C47.4 H96.2 Cu4 F12 N16 O26 S4 -","2","1","","Medina-Molner, Alfredo; Rohner, Melanie; Pandiarajan, Devaraj; Spingler, Bernhard","Mono- and dinuclear metal complexes containing the 1,5,9-triazacyclododecane ([12]aneN3) unit and their interaction with DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3664","3672","10.1039/c4dt02713b","","","0.71073","MoKα","","0.0891","0.0612","","","0.1446","0.1561","","","","","","0.902","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033346","8.6958","0.0013","8.7403","0.0013","12.3998","0.0019","102.06","0.018","105.113","0.018","94.828","0.018","880.1","0.3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H60 N6 Ni2 O10 -","- C28 H60 N6 Ni2 O10 -","- C28 H60 N6 Ni2 O10 -","1","0.5","","Medina-Molner, Alfredo; Rohner, Melanie; Pandiarajan, Devaraj; Spingler, Bernhard","Mono- and dinuclear metal complexes containing the 1,5,9-triazacyclododecane ([12]aneN3) unit and their interaction with DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3664","3672","10.1039/c4dt02713b","","","0.71073","MoKα","","0.0437","0.0403","","","0.1117","0.115","","","","","","1.088","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033347","10.3354","0.0008","17.2802","0.0009","11.904","0.001","90","","94.109","0.01","90","","2120.6","0.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 F12 N6 O12 S4 -","- C26 H52 F12 N6 O12 S4 -","- C52 H104 F24 N12 O24 S8 -","2","0.5","","Medina-Molner, Alfredo; Rohner, Melanie; Pandiarajan, Devaraj; Spingler, Bernhard","Mono- and dinuclear metal complexes containing the 1,5,9-triazacyclododecane ([12]aneN3) unit and their interaction with DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3664","3672","10.1039/c4dt02713b","","","0.71073","MoKα","","0.0808","0.064","","","0.1748","0.1944","","","","","","1.108","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033348","11.2739","0.0008","12.8908","0.0009","14.9803","0.001","104.807","0.008","97.878","0.009","107.244","0.008","1956","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H110 B2 N8 Ni2 O5 -","- C83 H110 B2 N8 Ni2 O5 -","- C83 H110 B2 N8 Ni2 O5 -","1","0.5","","Medina-Molner, Alfredo; Rohner, Melanie; Pandiarajan, Devaraj; Spingler, Bernhard","Mono- and dinuclear metal complexes containing the 1,5,9-triazacyclododecane ([12]aneN3) unit and their interaction with DNA.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3664","3672","10.1039/c4dt02713b","","","0.71073","MoKα","","0.062","0.0464","","","0.1232","0.129","","","","","","0.805","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033349","13.6066","0.0019","13.6066","0.0019","6.5095","0.0013","90","","90","","90","","1205.2","0.3","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba4 Ga4 Se12 Sn -","- Ba4 Ga4 Se12 Sn -","- Ba8 Ga8 Se24 Sn2 -","2","0.25","","Yin, Wenlong; Lin, Zuohong; Kang, Lei; Kang, Bin; Deng, Jianguo; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4Ga4SnSe12 and Ba6Ga2SnSe11.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2259","2266","10.1039/c4dt02244k","","","0.71073","MoKα","","0.0477","0.0465","","","0.1049","0.1056","","","","","","1.094","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033350","18.715","0.004","7.1091","0.0014","19.165","0.004","90","","103.29","0.03","90","","2481.6","0.9","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba6 Ga2 Se11 Sn -","- Ba6 Ga2 Se11 Sn -","- Ba24 Ga8 Se44 Sn4 -","4","1","","Yin, Wenlong; Lin, Zuohong; Kang, Lei; Kang, Bin; Deng, Jianguo; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, structures, and optical properties of Ba4Ga4SnSe12 and Ba6Ga2SnSe11.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2259","2266","10.1039/c4dt02244k","","","0.71073","MoKα","","0.0793","0.0517","","","0.099","0.1104","","","","","","1.12","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033351","7.51887","0.00019","7.57304","0.00018","14.0522","0.0004","85.182","0.002","89.651","0.002","63.742","0.003","714.61","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br2 N2 Zn -","- C13 H12 Br2 N2 Zn -","- C26 H24 Br4 N4 Zn2 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0335","0.0253","","","0.0516","0.0549","","","","","","1.037","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033352","8.1266","0.0007","24.5537","0.0015","7.9491","0.0006","90","","115.788","0.01","90","","1428.2","0.2","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br2 N2 O Zn -","- C13 H12 Br2 N2 O Zn -","- C52 H48 Br8 N8 O4 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0816","0.0653","","","0.172","0.1878","","","","","","1.028","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033353","8.2724","0.0005","24.7844","0.001","8.4272","0.0005","90","","115.907","0.008","90","","1554.16","0.18","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I2 N2 O Zn -","- C13 H12 I2 N2 O Zn -","- C52 H48 I8 N8 O4 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0868","0.0618","","","0.1653","0.1811","","","","","","1.075","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033354","7.98966","0.00012","13.7811","0.00019","14.55242","0.00018","90","","91.5686","0.0012","90","","1601.71","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O8 Zn -","- C13 H14 N4 O8 Zn -","- C52 H56 N16 O32 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0392","0.0287","","","0.0593","0.0646","","","","","","1.068","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033355","19.728","0.0003","9.41866","0.00012","14.5758","0.0002","90","","90","","90","","2708.35","0.07","160","1","160","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N6 O8 Zn -","- C26 H28 N6 O8 Zn -","- C104 H112 N24 O32 Zn4 -","4","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Singh, Palwinder; Shaveta, ?; Guedes da Silva, M Fátima C","Insight into inhibition of the human amyloid beta protein precursor (APP: PDB ID ) using (E)-N-(pyridin-2-ylmethylene)arylamine (LR) models: structure elucidation of a family of ZnX2-LR complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2359","2369","10.1039/c4dt03151b","","","0.71073","MoKα","","0.0393","0.0292","","","0.0724","0.0784","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033356","10.913","0.003","16.542","0.004","19.793","0.005","90","","90","","90","","3573.1","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 N3 O12.5 Tb -","- C34 H39 N3 O12.5 Tb -","- C136 H156 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0931","0.0782","","","0.2161","0.2324","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033357","10.932","0.003","16.713","0.004","18.893","0.005","90","","90","","90","","3451.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 N O14.5 Tb -","- C24 H29 N O14.5 Tb -","- C96 H116 N4 O58 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.074","0.0711","","","0.2382","0.2437","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033358","10.902","0.009","16.715","0.012","19.201","0.015","90","","90","","90","","3499","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H35 N3 O12.5 Tb -","- C30 H35 N3 O12.5 Tb -","- C120 H140 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0908","0.0824","","","0.2408","0.2551","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033359","10.959","0.002","16.565","0.003","19.75","0.004","90","","90","","90","","3585.3","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 Eu N3 O12.5 -","- C34 H39 Eu N3 O12.5 -","- C136 H156 Eu4 N12 O50 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.0823","0.0772","","","0.2048","0.2089","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033360","10.979","0.0004","16.6505","0.0007","19.3795","0.0007","90","","90","","90","","3542.7","0.2","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H35 Eu N3 O12.5 -","- C32 H39 Eu N3 O12.5 -","- C128 H156 Eu4 N12 O50 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.039","0.0357","","","0.1016","0.1053","","","","","","0.993","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033361","11.048","0.003","16.702","0.004","18.739","0.005","90","","90","","90","","3457.8","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Eu N O14.5 -","- C24 H29 Eu N O14.5 -","- C96 H116 Eu4 N4 O58 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.067","0.0623","","","0.2081","0.2155","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033362","10.929","","16.586","","19.396","","90","","90","","90","","3515.88","","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H35 N3 O12.5 Tb -","- C32 H39 N3 O12.5 Tb -","- C128 H156 N12 O50 Tb4 -","4","0.5","","Wang, Yanlong; Xue, Zhenzhen; Sun, Zhihao; Tan, Chunhong; Wen, Yuehong; Hu, Shengmin; Zhu, Qilong; Sheng, Tianlu; Wu, Xintao","Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2217","2222","10.1039/c4dt02396j","","","0.71073","MoKα","","0.041","0.0392","","","0.1112","0.1131","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033363","13.403","0.005","11.272","0.004","21.371","0.008","90","","100.987","0.005","90","","3170","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C-1-Cis","Salicyaldiminato-Pt-DMSO","","- C13 H20 Cl N O2 Pt S -","- C13 H20 Cl N O2 Pt S -","- C104 H160 Cl8 N8 O16 Pt8 S8 -","8","2","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Zhang, Yun-Chang; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Synthesis and anticancer activities of a novel class of mono- and di-metallic Pt(ii)(salicylaldiminato)(DMSO or Picolino)Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2166","2175","10.1039/c4dt03018d","","","0.71073","MoKα","","0.0539","0.0282","","","0.0593","0.0621","","","","","","0.826","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033364","10.719","0.004","12.484","0.005","19.494","0.008","90","","90","","90","","2608.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C-3","Pt-ONN","","- C12 H17 Cl N2 O Pt -","- C12 H17 Cl N2 O Pt -","- C96 H136 Cl8 N16 O8 Pt8 -","8","1","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Zhang, Yun-Chang; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Synthesis and anticancer activities of a novel class of mono- and di-metallic Pt(ii)(salicylaldiminato)(DMSO or Picolino)Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2166","2175","10.1039/c4dt03018d","","","0.71073","MoKα","","0.0948","0.0807","","","0.239","0.2653","","","","","","1.066","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033365","10.0909","0.0018","11.667","0.002","15.142","0.003","71.177","0.003","72.413","0.003","79.211","0.003","1600.5","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","C-1-trans","","- C13 H20 Cl N O2 Pt S -","- C13 H20 Cl N O2 Pt S -","- C52 H80 Cl4 N4 O8 Pt4 S4 -","4","2","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Zhang, Yun-Chang; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Synthesis and anticancer activities of a novel class of mono- and di-metallic Pt(ii)(salicylaldiminato)(DMSO or Picolino)Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2166","2175","10.1039/c4dt03018d","","","0.71073","MoKα","","0.0522","0.0408","","","0.1222","0.1323","","","","","","1.061","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033366","9.2649","0.0016","10.9156","0.0019","17.297","0.003","85.604","0.011","84.512","0.011","79.863","0.009","1710.9","0.5","93","","93","","","","","","","","","9","P -1","-P 1","2","","","","- C27 H53 B Cl2 F4 Ir N O3 P2 -","- C27 H53 B Cl2 F4 Ir N O3 P2 -","- C54 H106 B2 Cl4 F8 Ir2 N2 O6 P4 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Iridium(I) PNP complexes in the sp³ C-H bond activation of methyl propanoate and related esters.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1585","1591","10.1039/c4dt02859g","","","0.71075","MoKα","","0.0666","0.0563","","","0.1336","0.1544","","","","","","1.078","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033367","12.306","0.002","8.3002","0.0015","28.365","0.005","90","","92.01","0.005","90","","2895.5","0.9","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 B F4 Ir N O P2 -","- C24 H43 B F4 Ir N O P2 -","- C96 H172 B4 F16 Ir4 N4 O4 P8 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Iridium(I) PNP complexes in the sp³ C-H bond activation of methyl propanoate and related esters.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1585","1591","10.1039/c4dt02859g","","","0.71075","MoKα","","0.0525","0.0485","","","0.1217","0.1247","","","","","","1.087","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033368","11.9587","0.0007","7.994","0.0005","21.4277","0.0011","90","","96.212","0.003","90","","2036.4","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu(HTyrNO2)2(H2O)].2DMSO","","","- C36 H44 Cu N4 O13 S2 -","- C36 H44 Cu N4 O13 S2 -","- C72 H88 Cu2 N8 O26 S4 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1520","1525","10.1039/c4dt02778g","","","0.71073","MoKα","","0.0408","0.0329","","","0.0729","0.0925","","","","","","1.016","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033369","11.8045","0.0011","11.4224","0.001","13.8492","0.0012","90","","99.143","0.006","90","","1843.6","0.3","260","2","260","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(HTyrNO2)2(H2O)].2CH3OH","","","- C34 H40 Cu N4 O13 -","- C34 H40 Cu N4 O13 -","- C68 H80 Cu2 N8 O26 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Solvent effect on neutral chiral supramolecular assemblies and their distinct receptor behaviour towards anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1520","1525","10.1039/c4dt02778g","","","0.71073","MoKα","","0.066","0.0469","","","0.1044","0.1157","","","","","","1.019","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033370","15.6968","0.0007","16.2539","0.0007","18.4666","0.0008","88.845","0.001","76.647","0.001","62.245","0.001","4035.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","-Carbido diiron octapropylporphyrazine","","- C84 H115 Fe2 N16 -","- C84 H115 Fe2 N16 -","- C168 H230 Fe4 N32 -","2","1","","Colomban, Cédric; Kudrik, Evgeny V.; Tyurin, Dmitry V.; Albrieux, Florian; Nefedov, Sergei E.; Afanasiev, Pavel; Sorokin, Alexander B.","Synthesis and characterization of μ-nitrido, μ-carbido and μ-oxo dimers of iron octapropylporphyrazine.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2240","2251","10.1039/c4dt03207a","","","0.71073","MoKα","","0.0583","0.0436","","","0.1105","0.1209","","","","","","1.02","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033371","15.79","0.006","16.216","0.006","18.585","0.007","88.406","0.005","76.726","0.005","62.152","0.004","4078","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H115 Fe2 N17 -","- C83 H115 Fe2 N17 -","- C166 H230 Fe4 N34 -","2","1","","Colomban, Cédric; Kudrik, Evgeny V.; Tyurin, Dmitry V.; Albrieux, Florian; Nefedov, Sergei E.; Afanasiev, Pavel; Sorokin, Alexander B.","Synthesis and characterization of μ-nitrido, μ-carbido and μ-oxo dimers of iron octapropylporphyrazine.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2240","2251","10.1039/c4dt03207a","","","0.71073","MoKα","","0.1679","0.0807","","","0.198","0.248","","","","","","1.105","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033372","15.5842","0.0013","16.0628","0.0013","17.9023","0.0014","72.561","0.001","84.558","0.001","68.541","0.001","3978.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H112 Fe2 N16 O -","- C80 H112 Fe2 N16 O -","- C160 H224 Fe4 N32 O2 -","2","1","","Colomban, Cédric; Kudrik, Evgeny V.; Tyurin, Dmitry V.; Albrieux, Florian; Nefedov, Sergei E.; Afanasiev, Pavel; Sorokin, Alexander B.","Synthesis and characterization of μ-nitrido, μ-carbido and μ-oxo dimers of iron octapropylporphyrazine.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2240","2251","10.1039/c4dt03207a","","","0.71073","MoKα","","0.0699","0.0468","","","0.1227","0.1393","","","","","","1.015","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033373","12.1585","0.0005","23.9977","0.0009","14.8897","0.0006","90","","104.063","0.0014","90","","4214.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium trans-[tetrachloridobis(1-methylindazole)ruthenate(III)] acetone solvate'","","- C34.25 H53.5 Cl4 N5 O0.75 Ru -","- C34.25 H53.5 Cl4 N5 O0.75 Ru -","- C137 H214 Cl16 N20 O3 Ru4 -","4","1","","Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.","Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","659","668","10.1039/c4dt01645a","","","0.71073","MoKα","","0.0531","0.0408","","","0.1053","0.112","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033374","7.6282","0.0004","25.0359","0.0015","7.5616","0.0005","90","","110.609","0.0018","90","","1351.68","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-(sodium-bis(nitromethane)-trans-[tetra-miu-chlorido-bis(1-ethylindazole)ruthenate(III)","","- C20 H26 Cl4 N6 Na O4 Ru -","- C20 H26 Cl4 N6 Na O4 Ru -","- C40 H52 Cl8 N12 Na2 O8 Ru2 -","2","0.5","","Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.","Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","659","668","10.1039/c4dt01645a","","","0.71073","MoKα","","0.0491","0.0425","","","0.1026","0.1049","","","","","","1.2","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033375","12.352","0.0017","24.58","0.002","14.773","0.002","90","","102.934","0.002","90","","4371.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium trans-[tetrachloridobis(1-ethylindazole)ruthenate]acetone solvate","","- C40 H68 Cl4 N5 O2 Ru -","- C40 H68 Cl4 N5 O2 Ru -","- C160 H272 Cl16 N20 O8 Ru4 -","4","1","","Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.","Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","659","668","10.1039/c4dt01645a","","","0.71073","MoKα","","0.1026","0.0517","","","0.1143","0.1366","","","","","","1.028","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033376","16.1759","0.0009","9.0017","0.0005","17.1889","0.0009","90","","90","","90","","2502.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Au Cl N2 -","- C12 H12 Au Cl N2 -","- C96 H96 Au8 Cl8 N16 -","8","1","","Garner, Mary E.; Niu, Weijia; Chen, Xigao; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.","N-heterocyclic carbene gold(I) and silver(I) complexes bearing functional groups for bio-conjugation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1914","1923","10.1039/c4dt02850c","","","0.71073","MoKα","","0.0391","0.0274","","","0.0628","0.0719","","","","","","1.091","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033377","33.0955","0.0008","33.0955","0.0008","11.8745","0.0003","90","","90","","120","","11263.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C468 H612 N36 O72 -","36","2","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0835","0.0607","","","0.1489","0.1642","","","","","","1.055","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033378","11.0894","0.0007","11.2694","0.0007","12.4577","0.0009","68.532","0.006","78.616","0.006","87.72","0.005","1419.44","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N4 Ni O11 -","- C26 H36 N4 Ni O11 -","- C52 H72 N8 Ni2 O22 -","2","1","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0744","0.0391","","","0.0697","0.0743","","","","","","0.885","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033379","11.0303","0.0003","11.2503","0.0003","12.6469","0.0003","69.043","0.002","78.916","0.002","87.91","0.002","1437.36","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N4 O11 Zn -","- C26 H36 N4 O11 Zn -","- C52 H72 N8 O22 Zn2 -","2","1","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.041","0.0269","","","0.067","0.0686","","","","","","0.967","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033380","10.6575","0.0008","11.8208","0.0009","12.1533","0.0009","81.878","0.006","74.254","0.006","78.403","0.006","1437.42","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Mn N4 O10 -","- C26 H34 Mn N4 O10 -","- C52 H68 Mn2 N8 O20 -","2","1","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0798","0.0546","","","0.1012","0.1142","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033381","9.9432","0.0003","19.4692","0.0006","20.9054","0.0005","96.039","0.002","95.892","0.002","99.024","0.002","3945.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Cu N2 O10 P2 -","- C38 H46 Cu N2 O10 P2 -","- C152 H184 Cu4 N8 O40 P8 -","4","2","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.1052","0.0468","","","0.0835","0.0925","","","","","","0.812","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033382","13.0413","0.0002","32.2971","0.0004","14.8434","0.0002","90","","107.988","0.002","90","","5946.39","0.16","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H76 Cu2 N4 O18 S2 -","- C56 H76 Cu2 N4 O18 S2 -","- C224 H304 Cu8 N16 O72 S8 -","4","1","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.0488","0.0417","","","0.1051","0.1095","","","","","","1.039","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033383","15.6069","0.0009","15.6069","0.0009","29.9848","0.0015","90","","90","","120","","6325.1","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H92.15 Mn3 N6 O13.08 -","- C78 H90 Mn3 N6 O13.082 -","- C234 H270 Mn9 N18 O39.246 -","3","0.166667","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.1423","0.0648","","","0.1559","0.1736","","","","","","0.802","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033384","27.6849","0.0009","23.9258","0.0005","10.9518","0.0002","90","","90","","90","","7254.3","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H78 Co3 N4 O12 -","- C60 H76 Co3 N4 O12 -","- C240 H304 Co12 N16 O48 -","4","0.5","","D'Alessio, Daniel; Lombardo, Daniel M.; Vaughan, Jamila G.; Skelton, Brian W.; Barnard, Keith R.; Ogden, Mark I.","Structural variations in metal complexes of a tertiary α-hydroxyoxime.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7163","7168","10.1039/c4dt03393k","","","0.71073","MoKα","","0.1014","0.0841","","","0.2389","0.2451","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033385","7.3971","0.0005","13.1764","0.0009","14.2217","0.0009","90","","91.405","0.001","90","","1385.73","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Mo N2 O5 -","- C13 H16 Mo N2 O5 -","- C52 H64 Mo4 N8 O20 -","4","1","","Kurapati, Sathish Kumar; Pal, Samudranil","cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2401","2408","10.1039/c4dt03187c","","","0.71073","MoKα","","0.025","0.0238","","","0.0649","0.0657","","","","","","1.063","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033386","8.1423","0.0007","10.2929","0.0011","11.0127","0.0012","112.944","0.01","93.302","0.008","99.329","0.008","831.25","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Mo N2 O5 -","- C17 H16 Mo N2 O5 -","- C34 H32 Mo2 N4 O10 -","2","1","","Kurapati, Sathish Kumar; Pal, Samudranil","cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2401","2408","10.1039/c4dt03187c","","","0.71073","MoKα","","0.041","0.034","","","0.0763","0.0818","","","","","","1.095","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033387","7.8674","0.0005","8.4723","0.0005","13.9072","0.0008","76.819","0.001","84.328","0.001","77.558","0.001","880.16","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Cl Mo N2 O5 -","- C17 H15 Cl Mo N2 O5 -","- C34 H30 Cl2 Mo2 N4 O10 -","2","1","","Kurapati, Sathish Kumar; Pal, Samudranil","cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2401","2408","10.1039/c4dt03187c","","","0.71073","MoKα","","0.0287","0.0269","","","0.0711","0.0724","","","","","","1.054","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033388","7.9031","0.0005","8.4137","0.0007","14.0404","0.0009","75.991","0.006","83.346","0.005","78.967","0.006","886.72","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mo N2 O5 -","- C18 H18 Mo N2 O5 -","- C36 H36 Mo2 N4 O10 -","2","1","","Kurapati, Sathish Kumar; Pal, Samudranil","cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2401","2408","10.1039/c4dt03187c","","","0.71073","MoKα","","0.0631","0.0454","","","0.0847","0.0942","","","","","","1.041","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033389","22.037","0.008","5.2564","0.0017","15.142","0.005","90","","104.499","0.007","90","","1698.1","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bismuch tellurium iodate oxychloride","","- Bi2 Cl I O8 Te -","- Bi2 Cl I O8 Te -","- Bi16 Cl8 I8 O64 Te8 -","8","2","","Geng, Lei; Meng, Changyu; Lu, Hongyan; Luo, Zhongzhen; Lin, Chensheng; Cheng, Wendan","Bi2Te(IO3)O5Cl: a novel polar iodate oxychloride exhibiting a second-order nonlinear optical response.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2469","2475","10.1039/c4dt03532a","","","0.71073","MoKα","","0.0379","0.0342","","","0.07","0.0713","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033390","10.8421","0.0007","12.1075","0.0007","15.5072","0.001","79.8104","0.001","85.2777","0.001","80.2888","0.0009","1971.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Al-complex","Al-complex AlPh2pz","","- C97 H74 Al2 N12 Na2 -","- C97 H74 Al2 N12 Na2 -","- C97 H74 Al2 N12 Na2 -","1","0.5","","Snyder, Christopher J.; Zavalij, Peter; Bowen, Kit; Schnöckel, Hansgeorg; Eichhorn, Bryan","Synthesis, structure, and properties of a dialumane supported by pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2956","2958","10.1039/c4dt03533j","","","0.71073","MoKα","","0.0447","0.0375","","","0.0754","0.0791","","","","","","1","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033391","16.3828","0.0011","16.9146","0.0011","18.4938","0.0013","87.307","0.005","74.66","0.005","77.226","0.005","4819.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42.5 F6 Ir N4 O4.25 P S2 -","- C51 H42.5 F6 Ir N4 O4.25 P S2 -","- C204 H170 F24 Ir4 N16 O17 P4 S8 -","4","2","","Stokes, Emily C.; Langdon-Jones, Emily E; Groves, Lara M.; Platts, James A.; Horton, Peter N.; Fallis, Ian A.; Coles, Simon J.; Pope, Simon J. A.","Cationic, luminescent cyclometalated iridium(iii) complexes based on substituted 2-phenylthiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8488","8496","10.1039/c4dt03054k","","","0.71075","MoKα","","0.1322","0.0646","","","0.1074","0.1316","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033392","13.187","0.003","10.817","0.002","12.567","0.003","90","","96.4","0.03","90","","1781.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N4 O12 Tb3 -","- C10 H17 N4 O12 Tb3 -","- C40 H68 N16 O48 Tb12 -","4","1","","Zhang, Hui-Jie; Fan, Rui-Qing; Wang, Xin-Ming; Wang, Ping; Wang, Yu-Lei; Yang, Yu-Lin","Preparation, characterization, and properties of PMMA-doped polymer film materials: a study on the effect of terbium ions on luminescence and lifetime enhancement.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2871","2879","10.1039/c4dt03348e","","","0.71073","MoKα","","0.0415","0.0324","","","0.0662","0.0696","","","","","","1.063","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033393","8.8966","0.0008","17.6602","0.0016","8.3738","0.0009","90","","102.59","0.002","90","","1284","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 Al N2 O8 P2 -","- C5 H17 Al N2 O8 P2 -","- C20 H68 Al4 N8 O32 P8 -","4","1","","Man, Shanshan; Wang, Zenglong; Zhao, Boya; Liu, Lei; Dong, Jinxiang","Ionothermal synthesis and crystal structures of novel aluminum phosphates with in situ generated templates.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2294","2298","10.1039/c4dt03233k","","","0.71073","MoKα","","0.0423","0.0327","","","0.0819","0.089","","","","","","1.112","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033394","15.5986","0.0013","9.6662","0.0007","10.0576","0.0009","90","","100.048","0.002","90","","1493.2","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H18 Al2 N2 O10 P2 -","- C5 H18 Al2 N2 O10 P2 -","- C20 H72 Al8 N8 O40 P8 -","4","0.5","","Man, Shanshan; Wang, Zenglong; Zhao, Boya; Liu, Lei; Dong, Jinxiang","Ionothermal synthesis and crystal structures of novel aluminum phosphates with in situ generated templates.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2294","2298","10.1039/c4dt03233k","","","0.71073","MoKα","","0.0457","0.0409","","","0.1164","0.1208","","","","","","1.066","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033395","6.9313","0.0002","14.7303","0.0005","24.8075","0.0007","90","","94.823","0.002","90","","2523.88","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O3 S2 -","- C26 H24 Cu2 N4 O3 S2 -","- C104 H96 Cu8 N16 O12 S8 -","4","1","","Khadir, Narjes; Boghaei, Davar M.; Assoud, Abdeljalil; Nascimento, Otaciro R.; Nicotina, Amanda; Ghivelder, Luis; Calvo, Rafael","The structure, magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N') double bridged dicopper(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2431","2438","10.1039/c4dt03322a","","","0.71073","MoKα","","0.0906","0.0443","","","0.0824","0.0938","","","","","","0.996","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033396","20.077","0.0002","20.077","0.0002","20.077","0.0002","90","","90","","90","","8092.76","0.14","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H6 N6 O7 Zn3 -","- C12 H6 N6 O7 Zn3 -","- C96 H48 N48 O56 Zn24 -","8","0.333333","","Fu, Hong-Ru; Wang, Fei; Zhang, Jian","A stable zinc-4-carboxypyrazole framework with high uptake and selectivity of light hydrocarbons.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2893","2896","10.1039/c4dt03594a","","","0.71073","MoKα","","0.0976","0.0733","","","0.2459","0.2617","","","","","","1.115","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033397","11.5855","0.0005","14.4488","0.0006","15.1235","0.0008","72.292","0.002","67.952","0.002","69.59","0.002","2154.99","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Co3-BPh4","","","- C100 H92 B2 Co3 N8 O8 -","- C100 H88 B2 Co3 N8 O8 -","- C100 H88 B2 Co3 N8 O8 -","1","0.5","","Zhang, Yuan-Zhu; Brown, Andrew J.; Meng, Yin-Shan; Sun, Hao-Ling; Gao, Song","Linear trinuclear cobalt(ii) single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2865","2870","10.1039/c4dt03545c","","","0.71073","MoKα","","0.1626","0.0484","","","0.0872","0.108","","","","","","0.834","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033398","12.723","0.004","13.524","0.004","19.049","0.006","90","","100.062","0.004","90","","3227.3","1.7","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N5 S -","- C30 H45 N5 S -","- C120 H180 N20 S4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Catalytic behaviour in the ring-opening polymerisation of organoaluminiums supported by bulky heteroscorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12388","12400","10.1039/c4dt03475a","","","0.71073","MoKα","","0.1136","0.0749","","","0.208","0.2392","","","","","","1.04","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033399","12.6909","0.001","13.2006","0.0011","18.4966","0.0013","90","","100.329","0.003","90","","3048.5","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N5 O -","- C30 H45 N5 O -","- C120 H180 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Catalytic behaviour in the ring-opening polymerisation of organoaluminiums supported by bulky heteroscorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12388","12400","10.1039/c4dt03475a","","","0.71073","MoKα","","0.1575","0.0739","","","0.1714","0.2195","","","","","","1.021","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033400","16.77","0.013","11.023","0.009","22.285","0.017","90","","110.369","0.019","90","","3862","5","230","2","230","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H56 Al N5 S -","- C38 H56 Al N5 S -","- C152 H224 Al4 N20 S4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Catalytic behaviour in the ring-opening polymerisation of organoaluminiums supported by bulky heteroscorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12388","12400","10.1039/c4dt03475a","","","0.71073","MoKα","","0.298","0.0725","","","0.1648","0.2864","","","","","","0.808","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033401","8.9974","0.0018","10.434","0.002","14.204","0.003","75.65","0.03","88.65","0.03","68.44","0.03","1198.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cu2 N12 O6 S4 -","- C50 H40 Cu2 N12 O6 S4 -","- C50 H40 Cu2 N12 O6 S4 -","1","0.5","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Anwar, Muhammad U.; Pilkington, Melanie; Rawson, Jeremy M.","Copper-promoted aerial oxidation of benzothiadiazines: access to benzothiadiazine S-oxide heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2071","2074","10.1039/c4dt03467h","","","0.71073","MoKα","","0.0556","0.0417","","","0.1044","0.1109","","","","","","1.072","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033402","8.4577","0.0005","11.9926","0.0007","21.3438","0.0013","90","","90","","90","","2164.9","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O S -","- C13 H10 N2 O S -","- C104 H80 N16 O8 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Anwar, Muhammad U.; Pilkington, Melanie; Rawson, Jeremy M.","Copper-promoted aerial oxidation of benzothiadiazines: access to benzothiadiazine S-oxide heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2071","2074","10.1039/c4dt03467h","","","0.71073","MoKα","","0.0469","0.0438","","","0.1101","0.1118","","","","","","1.195","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033403","8.2057","0.0005","18.0582","0.0012","7.4221","0.0004","90","","111.185","0.003","90","","1025.48","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O S2 -","- C11 H8 N2 O S2 -","- C44 H32 N8 O4 S8 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Anwar, Muhammad U.; Pilkington, Melanie; Rawson, Jeremy M.","Copper-promoted aerial oxidation of benzothiadiazines: access to benzothiadiazine S-oxide heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2071","2074","10.1039/c4dt03467h","","","0.71073","MoKα","","0.043","0.0403","","","0.0933","0.0947","","","","","","1.158","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033404","12.7488","0.0009","8.6205","0.0006","12.1309","0.0008","90","","101.918","0.003","90","","1304.46","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 O S -","- C14 H9 F3 N2 O S -","- C56 H36 F12 N8 O4 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Anwar, Muhammad U.; Pilkington, Melanie; Rawson, Jeremy M.","Copper-promoted aerial oxidation of benzothiadiazines: access to benzothiadiazine S-oxide heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2071","2074","10.1039/c4dt03467h","","","0.71073","MoKα","","0.0365","0.035","","","0.0861","0.087","","","","","","1.211","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033405","10.826","0.004","12.044","0.004","12.046","0.004","109.677","0.003","103.108","0.002","109.545","0.002","1287.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Eu N3 O10 S2 -","- C25 H19 Eu N3 O10 S2 -","- C50 H38 Eu2 N6 O20 S4 -","2","1","","Wei, Yongqin; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Highly stable and sensitive LnMOF ratiometric thermometers constructed with mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3067","3074","10.1039/c4dt03421j","","","0.71073","MoKα","","0.0442","0.0359","","","0.1069","0.1543","","","","","","1.067","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033406","20.08","0.006","18.657","0.005","13.864","0.004","90","","117.57","0.004","90","","4604","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Eu N3 O8 S2 -","- C22 H13 Eu N3 O8 S2 -","- C176 H104 Eu8 N24 O64 S16 -","8","1","","Wei, Yongqin; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Highly stable and sensitive LnMOF ratiometric thermometers constructed with mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3067","3074","10.1039/c4dt03421j","","","0.71073","MoKα","","0.0644","0.0535","","","0.1395","0.1471","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7033407","10.803","0.003","12.027","0.003","12.04","0.003","109.678","0.001","103.133","0.003","109.48","","1283.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 N3 O10 S2 Tb -","- C25 H19 N3 O10 S2 Tb -","- C50 H38 N6 O20 S4 Tb2 -","2","1","","Wei, Yongqin; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Highly stable and sensitive LnMOF ratiometric thermometers constructed with mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3067","3074","10.1039/c4dt03421j","","","0.71073","MoKα","","0.0441","0.0339","","","0.1029","0.1623","","","","","","1.036","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033408","19.929","0.007","18.593","0.006","13.833","0.005","90","","117.925","0.004","90","","4529","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 N3 O8 S2 Tb -","- C22 H13 N3 O8 S2 Tb -","- C176 H104 N24 O64 S16 Tb8 -","8","1","","Wei, Yongqin; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Highly stable and sensitive LnMOF ratiometric thermometers constructed with mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3067","3074","10.1039/c4dt03421j","","","0.71073","MoKα","","0.0698","0.0591","","","0.144","0.1585","","","","","","1.044","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033409","11.4205","0.0015","17.117","0.002","19.045","0.003","90","","90","","90","","3723","0.9","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl Ir O P2 Si -","- C43 H40 Cl Ir O P2 Si -","- C172 H160 Cl4 Ir4 O4 P8 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Oxidative addition of SiH4 and GeH4 to Ir(PPh3)2(CO)Cl: structural and spectroscopic evidence for the formation of products derived from cis oxidative addition.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2801","2808","10.1039/c4dt03363a","","","0.71073","MoKα","","0.0844","0.0497","","","0.0869","0.0989","","","","","","1.007","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033410","11.4313","0.0019","17.928","0.003","12.983","0.002","90","","90","","90","","2660.7","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Cd N O12 -","- C27 H27 Cd N O12 -","- C108 H108 Cd4 N4 O48 -","4","0.5","","Wu, Yunlong; Yang, Guo-Ping; Zhao, Yanqing; Wu, Wei-Ping; Liu, Bo; Wang, Yao-Yu","Three new solvent-directed Cd(ii)-based MOFs with unique luminescent properties and highly selective sensors for Cu(2+) cations and nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3271","3277","10.1039/c4dt03415e","","","0.71073","MoKα","","0.048","0.0415","","","0.1242","0.1314","","","","","","1.003","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033411","11.0483","0.0018","6.682","0.0011","17.638","0.003","90","","107.833","0.002","90","","1239.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd3 O14 -","- C22 H20 Cd3 O14 -","- C44 H40 Cd6 O28 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Zhao, Yanqing; Wu, Wei-Ping; Liu, Bo; Wang, Yao-Yu","Three new solvent-directed Cd(ii)-based MOFs with unique luminescent properties and highly selective sensors for Cu(2+) cations and nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3271","3277","10.1039/c4dt03415e","","","0.71073","MoKα","","0.0424","0.029","","","0.0841","0.1118","","","","","","1.057","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033412","18.1586","0.0014","18.1586","0.0014","14.416","0.002","90","","90","","90","","4753.5","0.8","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H9 Cd O6 -","- C11 H9 Cd O6 -","- C176 H144 Cd16 O96 -","16","1","","Wu, Yunlong; Yang, Guo-Ping; Zhao, Yanqing; Wu, Wei-Ping; Liu, Bo; Wang, Yao-Yu","Three new solvent-directed Cd(ii)-based MOFs with unique luminescent properties and highly selective sensors for Cu(2+) cations and nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3271","3277","10.1039/c4dt03415e","","","0.71073","MoKα","","0.0306","0.0283","","","0.0986","0.1006","","","","","","1.038","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033413","15.2042","0.0004","17.3084","0.0004","17.7406","0.0004","65.543","0.002","89.942","0.002","88.527","0.002","4248.08","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H76.5 Cl2 N10.5 O4 Pt2 Zn -","- C90 H76.5 Cl2 N10.5 O4 Pt2 Zn -","- C180 H153 Cl4 N21 O8 Pt4 Zn2 -","2","1","","Doistau, Benjamin; Rossi-Gendron, Caroline; Tron, Arnaud; McClenaghan, Nathan D.; Chamoreau, Lise-Marie; Hasenknopf, Bernold; Vives, Guillaume","Switchable platinum-based tweezers with Pt-Pt bonding and selective luminescence quenching.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8543","8551","10.1039/c4dt03230f","","x-ray","0.66825","synchrotron","","0.152","0.0919","","","0.2324","0.255","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033414","12.9875","0.0005","13.411","0.0005","13.5738","0.0005","90","","110.765","0.001","90","","2210.65","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cl N P Pd S2 -","- C25 H19 Cl N P Pd S2 -","- C100 H76 Cl4 N4 P4 Pd4 S8 -","4","1","","Aleksanyan, Diana V.; Klemenkova, Zinaida S.; Vasil'ev, Andrei A.; Gorenberg, Arkadii Ya; Nelyubina, Yulia V.; Kozlov, Vladimir A.","Solid-phase cyclopalladation in S,C,S'-pincer systems: rising alternative for synthesis in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3216","3226","10.1039/c4dt03477e","","","0.71073","MoKα","","0.0331","0.025","","","0.0582","0.0628","","","","","","1.002","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033415","9.6958","0.0006","10.9562","0.0009","11.7739","0.0012","104.463","0.008","101.053","0.007","93.006","0.006","1181.99","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Ag3 F6 N2 O4 -","- C20 H17 Ag3 F6 N2 O4 -","- C40 H34 Ag6 F12 N4 O8 -","2","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0432","0.038","","","0.0876","0.0917","","","","","","1.037","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033416","8.2836","0.0004","13.1097","0.0008","17.4703","0.0012","97.256","0.005","91.88","0.005","102.055","0.005","1837.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Ag4 F9 N4 O6 -","- C32 H25 Ag4 F9 N4 O6 -","- C64 H50 Ag8 F18 N8 O12 -","2","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0617","0.0343","","","0.0639","0.0678","","","","","","1.205","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033417","17.5532","0.0002","21.0654","0.0004","38.974","0.0005","90","","97.511","0.001","90","","14287.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H52 Ag6 F20 N6 O10 -","- C63 H52 Ag6 F20 N6 O10 -","- C504 H416 Ag48 F160 N48 O80 -","8","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","1.54178","CuKα","","0.0554","0.0388","","","0.0993","0.107","","","","","","0.976","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033418","23.1111","0.0006","14.858","0.0003","26.0686","0.0006","90","","115.028","0.002","90","","8111","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H50 Ag8 F30 N8 O12 -","- C70 H50 Ag8 F30 N8 O12 -","- C280 H200 Ag32 F120 N32 O48 -","4","0.5","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0423","0.027","","","0.0599","0.0645","","","","","","1.003","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033419","23.2589","0.0008","15.9256","0.0004","25.5945","0.0009","90","","111.372","0.003","90","","8828.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H50 Ag8 F30 N8 O12 -","- C78 H50 Ag8 F30 N8 O12 -","- C312 H200 Ag32 F120 N32 O48 -","4","0.5","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0808","0.0485","","","0.1294","0.1449","","","","","","1.036","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033420","12.7629","0.0003","15.3551","0.0003","23.4186","0.0004","90.077","0.002","92.357","0.002","104.9","0.002","4431.07","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H82 Ag10 F12 N2 O8 P2 -","- C78 H82 Ag10 F12 N2 O8 P2 -","- C156 H164 Ag20 F24 N4 O16 P4 -","2","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0585","0.0391","","","0.1138","0.1406","","","","","","1.052","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033421","13.2155","0.0008","15.8405","0.0006","24.0035","0.0009","85.409","0.003","84.32","0.004","71.747","0.004","4742.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H82 Ag10 F20 N2 O8 P2 -","- C82 H82 Ag10 F20 N2 O8 P2 -","- C164 H164 Ag20 F40 N4 O16 P4 -","2","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","1.54178","CuKα","","0.0746","0.062","","","0.1544","0.1689","","","","","","1.038","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033422","25.1013","0.0008","14.2636","0.0005","27.7281","0.0007","90","","99.447","0.003","90","","9793","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H88 Ag12 F20 N4 O8 -","- C80 H88 Ag12 F20 N4 O8 -","- C320 H352 Ag48 F80 N16 O32 -","4","0.5","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","0.71073","MoKα","","0.0647","0.0357","","","0.077","0.082","","","","","","1.098","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033423","16.7828","0.0003","26.672","0.0005","25.7056","0.0005","90","","108.236","0.002","90","","10928.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H98 Ag12 F18 N8 O14 -","- C100 H98 Ag12 F18 N8 O14 -","- C400 H392 Ag48 F72 N32 O56 -","4","1","","Lin, Yu-Mei; Guan, Zong-Jie; Liu, Kuan-Guan; Jiang, Zhan-Guo; Wang, Quan-Ming","Assembly of silver alkynyl compounds with various nuclearities.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2439","2446","10.1039/c4dt03394a","","","1.54178","CuKα","","0.0908","0.0802","","","0.2066","0.2276","","","","","","1.02","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033425","11.0996","0.0007","15.0849","0.001","15.1862","0.001","94.811","0.002","99.629","0.002","94.98","0.002","2484.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H100 F18 N18 Pt3 -","- C110 H100 F18 N18 Pt3 -","- C110 H100 F18 N18 Pt3 -","1","0.5","","Ku, Hsiao-Yun; Tong, Bihai; Chi, Yun; Kao, Hao-Che; Yeh, Chia-Chi; Chang, Chih-Hao; Lee, Gene-Hsiang","Luminescent Pt(ii) complexes bearing dual isoquinolinyl pyrazolates: fundamentals and applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8552","8563","10.1039/c4dt03028a","","","0.71073","MoKα","","0.0934","0.0597","","","0.1244","0.1491","","","","","","1.054","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033426","8.8284","0.0011","9.0348","0.0011","14.3205","0.0018","96.191","0.002","105.828","0.002","90.578","0.002","1091.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 F6 N6 Pt -","- C50 H46 F6 N6 Pt -","- C50 H46 F6 N6 Pt -","1","0.5","","Ku, Hsiao-Yun; Tong, Bihai; Chi, Yun; Kao, Hao-Che; Yeh, Chia-Chi; Chang, Chih-Hao; Lee, Gene-Hsiang","Luminescent Pt(ii) complexes bearing dual isoquinolinyl pyrazolates: fundamentals and applications.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8552","8563","10.1039/c4dt03028a","","","0.71073","MoKα","","0.0383","0.0373","","","0.0817","0.0924","","","","","","1.083","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033427","9.6294","0.0005","11.8965","0.0006","12.0584","0.0005","116.375","0.002","90.353","0.003","108.027","0.002","1159.97","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Mn2 O8 S2 -","- C22 H14 Mn2 O8 S2 -","- C44 H28 Mn4 O16 S4 -","2","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0559","0.0449","","","0.0965","0.1016","","","","","","1.145","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033428","12.2008","0.0003","31.5255","0.0007","18.3025","0.0004","90","","106.572","0.001","90","","6747.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H42 Mn6 O20 S6 -","- C62 H42 Mn6 O20 S6 -","- C248 H168 Mn24 O80 S24 -","4","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.1314","0.0902","","","0.1505","0.162","","","","","","1.18","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033429","11.5033","0.0003","6.346","0.0002","17.4457","0.0003","90","","101.244","0.001","90","","1249.09","0.06","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F6 Mn2 O8 S2 -","- C22 H8 F6 Mn2 O8 S2 -","- C44 H16 F12 Mn4 O16 S4 -","2","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0312","0.0291","","","0.0673","0.0683","","","","","","1.037","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033430","8.5295","0.0002","9.291","0.0009","15.0154","0.0006","91.833","0.002","93.91","0.002","115.316","0.002","1070.68","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 F2 Mn2 O8 S2 -","- C20 H8 F2 Mn2 O8 S2 -","- C40 H16 F4 Mn4 O16 S4 -","2","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.1013","0.0988","","","0.2654","0.2665","","","","","","1.187","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033431","8.2467","0.0003","8.8721","0.0003","9.5582","0.0003","66.959","0.002","66.175","0.002","65.853","0.001","561.93","0.03","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 Cl2 Mn2 O8 S2 -","- C20 H8 Cl2 Mn2 O8 S2 -","- C20 H8 Cl2 Mn2 O8 S2 -","1","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.026","0.0246","","","0.0579","0.0594","","","","","","1.086","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033432","10.5593","0.0003","9.4284","0.0003","12.5227","0.0003","90","","102.598","0.002","90","","1216.71","0.06","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Mn2 O10 S2 -","- C22 H14 Mn2 O10 S2 -","- C44 H28 Mn4 O20 S4 -","2","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0323","0.0279","","","0.0635","0.0654","","","","","","1.096","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033433","9.2997","0.0002","16.5384","0.0004","8.6285","0.0001","90","","116.849","0.001","90","","1184.02","0.04","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 F10 Mn2 O8 S2 -","- C20 F10 Mn2 O8 S2 -","- C40 F20 Mn4 O16 S4 -","2","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.026","0.0233","","","0.0547","0.0564","","","","","","1.083","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033434","7.0206","0.0002","9.268","0.0002","10.1924","0.0003","99.676","0.002","107.547","0.001","93.424","0.002","619.02","0.03","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Cl2 Mn2 O8 S2 -","- C22 H12 Cl2 Mn2 O8 S2 -","- C22 H12 Cl2 Mn2 O8 S2 -","1","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0253","0.0239","","","0.0548","0.056","","","","","","1.078","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033435","19.3656","0.0002","15.9446","0.0001","14.0502","0.0001","90","","90","","90","","4338.38","0.06","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H28 Mn4 O12 S4 -","- C40 H28 Mn4 O12 S4 -","- C160 H112 Mn16 O48 S16 -","4","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0245","0.0239","","","0.0614","0.0619","","","","","","1.039","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033436","10.0188","0.0003","20.095","0.0005","22.9661","0.0006","90","","97.568","0.001","90","","4583.4","0.2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H14 F12 Mn4 O12 S4 -","- C40 H14 F12 Mn4 O12 S4 -","- C160 H56 F48 Mn16 O48 S16 -","4","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0439","0.0367","","","0.0922","0.097","","","","","","1.11","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033437","19.6504","0.0002","19.5146","0.0003","20.7347","0.0003","90","","90","","90","","7951.13","0.19","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H16 F4 Mn4 O12 S4 -","- C36 H16 F4 Mn4 O12 S4 -","- C288 H128 F32 Mn32 O96 S32 -","8","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0566","0.0395","","","0.0756","0.0826","","","","","","1.128","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033438","16.0318","0.0004","16.1365","0.0005","17.5547","0.0006","90","","103.771","0.002","90","","4410.8","0.2","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H16 Cl4 F4 Mn4 O12 S4 -","- C37 H16 Cl4 F4 Mn4 O12 S4 -","- C148 H64 Cl16 F16 Mn16 O48 S16 -","4","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0312","0.0292","","","0.0635","0.0652","","","","","","1.085","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033439","8.7224","0.0002","14.5346","0.0006","16.5814","0.0006","103.291","0.001","91.005","0.002","98.173","0.002","2022.3","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 Mn3 O12 S3 -","- C39 H33 Mn3 O12 S3 -","- C78 H66 Mn6 O24 S6 -","2","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0746","0.0572","","","0.133","0.1416","","","","","","1.146","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033440","23.964","0.0015","12.8427","0.0008","13.5112","0.0009","90","","110.91","0.004","90","","3884.4","0.4","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Mn2 O6 S4 -","- C34 H26 Mn2 O6 S4 -","- C136 H104 Mn8 O24 S16 -","4","0.5","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0918","0.0618","","","0.1363","0.1477","","","","","","1.127","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033441","9.998","0.003","6.884","0.0019","14.487","0.004","90","","95.037","0.013","90","","993.2","0.5","89","2","89","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N5 O2 -","- C10 H7 N5 O2 -","- C40 H28 N20 O8 -","4","1","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.1078","0.0541","","","0.1389","0.1675","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033442","12.4666","0.0016","29.676","0.004","16.9354","0.001","90","","103.218","0.002","90","","6099.4","1.2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C200 H156 B8 Co8 F32 N100 O32 -","- C25 H19.5 B Co F4 N12.5 O4 -","- C200 H156 B8 Co8 F32 N100 O32 -","8","2","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0939","0.0651","","","0.1802","0.204","","","","","","1.044","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033443","8.8489","0.0004","27.4492","0.0014","8.5398","0.0004","90","","92.34","0.002","90","","2072.55","0.17","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N10 O4 -","- C20 H12 Cu N10 O4 -","- C80 H48 Cu4 N40 O16 -","4","1","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0402","0.0366","","","0.0855","0.0871","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033444","6.5429","0.0007","8.1489","0.0008","15.3462","0.0015","81.295","0.005","85.364","0.006","87.999","0.006","805.93","0.14","89","2","89","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H16 B0 Cu F3 N5 O7 Si0.5 -","- C10 H16 Cu F3 N5 O7 Si0.5 -","- C20 H32 Cu2 F6 N10 O14 Si -","2","1","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0612","0.0564","","","0.1184","0.1216","","","","","","1.224","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033445","9.3678","0.0004","13.6094","0.0006","10.1421","0.0004","90","","90.273","0.002","90","","1293","0.09","90","2","90","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 Ag Co N12 O12 -","- C20 H16 Ag Co N12 O12 -","- C40 H32 Ag2 Co2 N24 O24 -","2","0.5","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0687","0.0547","","","0.1495","0.1596","","","","","","1.064","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033446","14.619","0.003","24.806","0.004","9.861","0.004","90","","122.003","0.007","90","","3032.5","1.5","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H24 Ag N21 Ni2 O11 -","- C40 H24 Ag N21 Ni2 O11 -","- C80 H48 Ag2 N42 Ni4 O22 -","2","0.25","","Cowan, Matthew G.; Miller, Reece G.; Brooker, Sally","Pyrazine-imide complexes: reversible redox and MOF building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2880","2892","10.1039/c4dt03407d","","","0.71073","MoKα","","0.0848","0.0671","","","0.1807","0.1901","","","","","","1.064","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033447","7.5559","0.0005","9.5691","0.0007","10.5354","0.0007","102.758","0.001","97.538","0.001","93.123","0.001","733.77","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Cu1.5 N5 O9 -","- C10 H10 Cu1.5 N5 O9 -","- C20 H20 Cu3 N10 O18 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun","Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3190","3199","10.1039/c4dt03741c","","","0.71073","MoKα","","0.045","0.0392","","","0.0956","0.0998","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033448","23.989","0.006","15.168","0.004","14.285","0.004","90","","119.389","0.004","90","","4529","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cu6 N16 O25 S2 -","- C24 H32 Cu6 N16 O25 S2 -","- C96 H128 Cu24 N64 O100 S8 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun","Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3190","3199","10.1039/c4dt03741c","","","0.71073","MoKα","","0.0665","0.0414","","","0.0953","0.108","","","","","","1.037","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033449","12.2905","0.0017","17.329","0.002","17.319","0.002","90","","90","","90","","3688.6","0.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H21 Cl4 Cu3 N23 O17 -","- C12 H21 Cl4 Cu3 N23 O17 -","- C48 H84 Cl16 Cu12 N92 O68 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun","Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3190","3199","10.1039/c4dt03741c","","","0.71073","MoKα","","0.0965","0.072","","","0.1772","0.1921","","","","","","1.031","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033450","7.033","0.002","10.495","0.004","10.724","0.003","108.425","0.004","92.075","0.004","102.894","0.004","727.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cu2 N4 O8 -","- C10 H14 Cu2 N4 O8 -","- C20 H28 Cu4 N8 O16 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Chen, Si-Hang; Su, Yan-Hong; Zhang, Yan-Yan; Zhao, Xiao-Jun","Four linear Cu(II)3 subunit-based coordination polymers with various inter-subunit connections, spin ground-states and intra-/inter-subunit magnetic couplings.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3190","3199","10.1039/c4dt03741c","","","0.71073","MoKα","","0.0566","0.0419","","","0.1017","0.1094","","","","","","1.067","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033451","48.819","0.005","21.863","0.005","36.741","0.005","90","0.005","111.584","0.005","90","0.005","36465","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C152 H266 Cu11 N114 O204 P6 W54 -","- C152 H228 Cu11 N114 O195 P6 W54 -","- C608 H912 Cu44 N456 O780 P24 W216 -","4","0.5","","Li, Shaobin; Zhang, Li; O'Halloran, Kevin P; Ma, Huiyuan; Pang, Haijun","An unprecedented 3D POM-MOF based on (7,8)-connected twin Wells-Dawson clusters: synthesis, structure, electrocatalytic and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2062","2065","10.1039/c4dt03625e","","","0.71069","MoKα","","0.1323","0.0604","","","0.1215","0.1482","","","","","","0.998","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033452","9.3776","0.0004","12.5093","0.0004","15.6996","0.0003","93.424","0.002","92.13","0.003","96.938","0.003","1823.1","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 N2 O2 P2 Pt -","- C43 H34 N2 O2 P2 Pt -","- C86 H68 N4 O4 P4 Pt2 -","2","1","","Schouwey, Clément; Papmeyer, Marcus; Scopelliti, Rosario; Severin, Kay","A heterometallic macrocycle as a redox-controlled molecular hinge.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2252","2258","10.1039/c4dt03331k","","","1.54178","CuKα","","0.028","0.0264","","","0.0707","0.0721","","","","","","1.076","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033453","20.67","0.003","24.221","0.003","24.333","0.003","97","0.012","94.811","0.009","98.134","0.012","11906","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C114 H96 B2 Cl2 Cu2 F8 N8 P4 Pt2 -","- C114 H96 B2 Cl2 Cu2 F8 N8 P4 Pt2 -","- C456 H384 B8 Cl8 Cu8 F32 N32 P16 Pt8 -","4","2","","Schouwey, Clément; Papmeyer, Marcus; Scopelliti, Rosario; Severin, Kay","A heterometallic macrocycle as a redox-controlled molecular hinge.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2252","2258","10.1039/c4dt03331k","","","0.71073","MoKα","","0.1487","0.1174","","","0.2663","0.2801","","","","","","1.112","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033454","18.82","0.004","27.34","0.006","25.24","0.005","90","","96.94","0.03","90","","12892","5","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C275 H211 Ag6 Cl19 Cu10 N6 O18 P12 -","- C275 H207 Ag6 Cl19 Cu10 N6 O18 P12 -","- C550 H414 Ag12 Cl38 Cu20 N12 O36 P24 -","2","0.5","","Jiang, Yi; Guo, Wen-Jing; Kong, De-Xian; Wang, Yong-Tao; Wang, Jin-Yun; Wei, Qiao-Hua","Novel electrochemi-/photo-luminescence of Ag3Cu5 heterometallic alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3941","3944","10.1039/c4dt03369h","","","0.71","synchrotron","","0.1197","0.0811","","","0.2034","0.2224","","","","","","1.126","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033455","29.4","0.006","17.068","0.003","48.669","0.01","90","","92.25","0.03","90","","24403","8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C283 H226 Ag6 Cl6 Cu10 N6 O16 P12 -","- C283 H226 Ag6 Cl6 Cu10 N6 O16 P12 -","- C1132 H904 Ag24 Cl24 Cu40 N24 O64 P48 -","4","0.5","","Jiang, Yi; Guo, Wen-Jing; Kong, De-Xian; Wang, Yong-Tao; Wang, Jin-Yun; Wei, Qiao-Hua","Novel electrochemi-/photo-luminescence of Ag3Cu5 heterometallic alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3941","3944","10.1039/c4dt03369h","","","0.71","MoKα","","0.1121","0.0903","","","0.294","0.3118","","","","","","1.104","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033456","27.114","0.003","12.8194","0.0016","33.802","0.004","90","","98.429","0.002","90","","11622","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 F12 N6 O8 P2 Ru -","- C34 H26 F12 N6 O8 P2 Ru -","- C272 H208 F96 N48 O64 P16 Ru8 -","8","2","","Mitome, Hiroumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Controlling the redox properties of a pyrroloquinolinequinone (PQQ) derivative in a ruthenium(ii) coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3151","3158","10.1039/c4dt03358b","","","0.71073","MoKα","","0.0888","0.0686","","","0.1815","0.1911","","","","","","1.065","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033457","13.1329","0.0006","14.3222","0.0006","23.9745","0.001","77.751","0.001","79.053","0.001","66.483","0.001","4012.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H55 N12 O46 Si W11 Zn -","- C48 H45 N12 O41 Si W11 Zn -","- C96 H90 N24 O82 Si2 W22 Zn2 -","2","1","","Lu, Tingting; Xu, Xinxin; Li, Huili; Li, Zhenyu; Zhang, Xia; Ou, Jinzhao; Mei, Mingliang","The loading of coordination complex modified polyoxometalate nanobelts on activated carbon fiber: a feasible strategy to obtain visible light active and highly efficient polyoxometalate based photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2267","2275","10.1039/c4dt03092c","","","0.71073","MoKα","","0.0663","0.0556","","","0.1663","0.1762","","","","","","1.03","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033458","54.872","0.006","4.9603","0.0005","7.1628","0.0007","90","","90.368","0.002","90","","1949.5","0.3","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H34 O4 Pb -","- C18 H34 O4 Pb -","- C72 H136 O16 Pb4 -","4","1","","Catalano, Jaclyn; Murphy, Anna; Yao, Yao; Yap, Glenn P. A.; Zumbulyadis, Nicholas; Centeno, Silvia A.; Dybowski, Cecil","Coordination geometry of lead carboxylates - spectroscopic and crystallographic evidence.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2340","2347","10.1039/c4dt03075c","","","0.71073","MoKα","","0.0939","0.0839","","","0.1648","0.1681","","","","","","1.311","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033459","11.8287","0.0014","16.996","0.002","15.0618","0.0019","90","","100.133","0.002","90","","2980.8","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Co N6 O9 -","- C34 H22 Co N6 O9 -","- C136 H88 Co4 N24 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversities and related properties of four coordination polymers synthesized from original ligand of 3,3',5,5'-azobenzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2380","2389","10.1039/c4dt03076a","","","0.71073","MoKα","","0.083","0.0518","","","0.1309","0.1469","","","","","","1.034","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033460","9.7766","0.0017","12.204","0.002","12.262","0.002","72.09","0.003","85.517","0.003","73.131","0.003","1332.1","0.4","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn3 N8 O24 -","- C48 H42 Mn3 N8 O24 -","- C48 H42 Mn3 N8 O24 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversities and related properties of four coordination polymers synthesized from original ligand of 3,3',5,5'-azobenzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2380","2389","10.1039/c4dt03076a","","","0.71073","MoKα","","0.0832","0.0565","","","0.1444","0.1644","","","","","","1.069","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033461","9.973","0.002","10.452","0.002","12.671","0.003","111.595","0.003","104.229","0.003","92.999","0.003","1175.4","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cd3 N8 O20 -","- C48 H36 Cd3 N8 O20 -","- C48 H36 Cd3 N8 O20 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversities and related properties of four coordination polymers synthesized from original ligand of 3,3',5,5'-azobenzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2380","2389","10.1039/c4dt03076a","","","0.71073","MoKα","","0.0419","0.0329","","","0.0861","0.0909","","","","","","1.052","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033462","14.256","0.003","15.256","0.003","23.92","0.004","90","","101.486","0.003","90","","5098.2","1.7","293","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N5 O6.5 -","- C26 H18 Cd N5 O6.5 -","- C208 H144 Cd8 N40 O52 -","8","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversities and related properties of four coordination polymers synthesized from original ligand of 3,3',5,5'-azobenzenetetracarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2380","2389","10.1039/c4dt03076a","","","0.71073","MoKα","","0.0877","0.0526","","","0.1356","0.1549","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033463","11.1943","0.001","21.6804","0.0019","11.8179","0.001","90","","98.94","0.001","90","","2833.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O8 Pd2 -","- C26 H38 O8 Pd2 -","- C104 H152 O32 Pd8 -","4","1","","Tamura, Kenji; Yoshida, Jun; Taniguchi, Masahiro; Kitazawa, Takafumi; Yamagishi, Akihiko; Sato, Hisako","Effects of auxiliary ligands of Pd(ii) dimers on induction of chiral nematic phases: chirality inversion and the photo-responsive structural change.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3209","3215","10.1039/c4dt02812k","","","0.71073","MoKα","","0.031","0.028","","","0.0637","0.0651","","","","","","1.158","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033464","9.5479","0.0002","14.2146","0.0003","15.2152","0.0003","90","","94.478","0.001","90","","2058.7","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Fe N O P -","- C25 H24 Fe N O P -","- C100 H96 Fe4 N4 O4 P4 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0404","0.0301","","","0.067","0.0711","","","","","","1.017","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033465","11.4811","0.0003","24.8305","0.0007","7.6806","0.0002","90","","101.066","0.001","90","","2148.88","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Fe N P S -","- C25 H24 Fe N P S -","- C100 H96 Fe4 N4 P4 S4 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0335","0.0288","","","0.0703","0.0726","","","","","","1.021","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033466","8.5443","0.0002","10.0465","0.0003","13.2078","0.0003","87.165","0.001","89.785","0.001","71.819","0.001","1075.76","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Fe N O P S -","- C25 H24 Fe N O P S -","- C50 H48 Fe2 N2 O2 P2 S2 -","2","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0302","0.0267","","","0.0668","0.0686","","","","","","1.06","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033467","9.0313","0.0003","25.3683","0.0008","9.3612","0.0003","90","","109.678","0.001","90","","2019.48","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Fe N O P -","- C24 H22 Fe N O P -","- C96 H88 Fe4 N4 O4 P4 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0376","0.0303","","","0.0729","0.0762","","","","","","1.042","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7033468","35.0409","0.0009","10.9004","0.0003","12.9603","0.0003","90","","93.644","0.001","90","","4940.3","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl3 Fe N O2 P -","- C25 H23 Cl3 Fe N O2 P -","- C200 H184 Cl24 Fe8 N8 O16 P8 -","8","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0549","0.0387","","","0.0911","0.0996","","","","","","1.036","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033469","11.8032","0.0011","19.3256","0.0019","9.6446","0.0008","90","","108.311","0.003","90","","2088.6","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C24 H22 Fe N O P S -","- C24 H22 Fe N O P S -","- C96 H88 Fe4 N4 O4 P4 S4 -","4","2","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0776","0.0487","","","0.0969","0.1089","","","","","","0.994","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033470","15.4973","0.0005","14.2226","0.0004","20.7615","0.0005","90","","91.252","0.001","90","","4575","0.2","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C48.25 H44.25 B Cl1.5 Cu F4 Fe2 N2 O2 P2 -","- C48 H44 B Cu F4 Fe2 N2 O2 P2 -","- C192 H176 B4 Cu4 F16 Fe8 N8 O8 P8 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0446","0.0392","","","0.1008","0.1037","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033471","15.1921","0.0004","16.1101","0.0003","22.5908","0.0004","90","","94.686","0.001","90","","5510.5","0.2","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B Cl6 Cu F4 Fe2 N2 P2 S2 -","- C52 H50 B Cl6 Cu F4 Fe2 N2 P2 S2 -","- C208 H200 B4 Cl24 Cu4 F16 Fe8 N8 P8 S8 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0449","0.0356","","","0.0883","0.0945","","","","","","1.026","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7033472","14.2861","0.0004","11.8455","0.0003","30.249","0.001","90","","91.6659","0.0013","90","","5116.8","0.3","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 B Cl3 Cu F4 Fe2 N2 O2 P2 -","- C47.006 H41.005 B1.002 Cl3 Cu F4.008 Fe2 N2 O2 P2 -","- C188.024 H164.02 B4.008 Cl12 Cu4 F16.032 Fe8 N8 O8 P8 -","4","1","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0734","0.0602","","","0.1644","0.1723","","","","","","1.075","","","","has coordinates,has disorder","204132","2020-10-21","18:00:00",""
"7033473","18.0426","0.0003","14.5715","0.0002","9.2242","0.0002","90","","91.985","0.001","90","","2423.66","0.07","150","2","150","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C49 H45 Ag Cl4 Fe2 N2 O6 P2 -","- C49 H45 Ag Cl4 Fe2 N2 O6 P2 -","- C98 H90 Ag2 Cl8 Fe4 N4 O12 P4 -","2","0.5","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0258","0.0242","","","0.0529","0.0538","","","","","","1.02","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033474","7.909","0.0002","16.018","0.0005","19.5538","0.0006","90","","98.0751","0.0011","90","","2452.64","0.12","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 Ag2 Cl2 Fe2 N2 O8 P2 S2 -","- C50 H48 Ag2 Cl2 Fe2 N2 O8 P2 S2 -","- C100 H96 Ag4 Cl4 Fe4 N4 O16 P4 S4 -","2","0.5","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0702","0.0517","","","0.1166","0.1258","","","","","","1.039","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7033475","37.4298","0.0009","9.4501","0.0002","13.346","0.0003","90","","90","","90","","4720.69","0.18","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C25 H24 Au Cl Fe N P S -","- C25 H24 Au Cl Fe N P S -","- C200 H192 Au8 Cl8 Fe8 N8 P8 S8 -","8","2","","Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr","Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3092","3108","10.1039/c4dt03279a","","","0.71073","MoKα","","0.0392","0.0339","","","0.0773","0.0795","","","","","","1.085","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7033476","14.7903","0.0015","15.2087","0.0012","25.894","0.002","91.97","0.006","104.308","0.008","118.052","0.009","4903.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H138 Co9 N3 O36 -","- C68 H138 Co9 N3 O36 -","- C136 H276 Co18 N6 O72 -","2","1","","Funes, Alejandro V.; Carrella, Luca; Sorace, Lorenzo; Rentschler, Eva; Alborés, Pablo","Switching nuclearity and Co(ii) content through stoichiometry adjustment: {Co(II)6Co(III)3} and {Co(II)Co4(III)} mixed valent complexes and a study of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2390","2400","10.1039/c4dt03034f","","","0.71069","MoKα","","0.1849","0.101","","","0.2287","0.3027","","","","","","1.028","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033477","20.3316","0.0007","10.9609","0.0005","28.8394","0.0012","90","","108.706","0.004","90","","6087.4","0.5","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H90.8 Co5 N5 O26 -","- C46 H90.8 Co5 N5 O26 -","- C184 H363.2 Co20 N20 O104 -","4","1","","Funes, Alejandro V.; Carrella, Luca; Sorace, Lorenzo; Rentschler, Eva; Alborés, Pablo","Switching nuclearity and Co(ii) content through stoichiometry adjustment: {Co(II)6Co(III)3} and {Co(II)Co4(III)} mixed valent complexes and a study of their magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2390","2400","10.1039/c4dt03034f","","","0.71073","MoKα","","0.1067","0.0624","","","0.1179","0.1387","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033478","10.9576","0.0007","10.9599","0.0006","34.1796","0.0018","90","","95.76","0.006","90","","4084","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","unk","","- C42 H51 Cl Cu N3 O2 S -","- C42 H51 Cl Cu N3 O2 S -","- C168 H204 Cl4 Cu4 N12 O8 S4 -","4","1","","Mondal, Manas Kumar; Biswas, Abul Kalam; Ganguly, Bishwajit; Mukherjee, Chandan","Unprecedented iminobenzosemiquinone and iminobenzoquinone coordinated mononuclear Cu(ii) complex formation under air.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9375","9381","10.1039/c4dt03263b","","x-ray","0.71073","MoKα","","0.0816","0.0514","","","0.1069","0.1239","","","","","","1.045","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033479","10.05","0.005","17.306","0.005","14.363","0.004","90","","124.43","0.016","90","","2060.5","1.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl2 N2 O Zn -","- C19 H24 Cl2 N2 O Zn -","- C76 H96 Cl8 N8 O4 Zn4 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.052","0.0388","","","0.0971","0.1047","","","","","","1.004","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033480","10.206","0.002","20.164","0.004","21.555","0.004","90","","94.96","0.03","90","","4419.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cd2 Cl4 N4 O2 -","- C38 H48 Cd2 Cl4 N4 O2 -","- C152 H192 Cd8 Cl16 N16 O8 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0672","0.0453","","","0.0949","0.1011","","","","","","0.994","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033481","9.327","0.0019","16.828","0.003","13.927","0.003","90","","94.73","0.03","90","","2178.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 Hg N2 O -","- C19 H24 Cl2 Hg N2 O -","- C76 H96 Cl8 Hg4 N8 O4 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0447","0.0319","","","0.1034","0.1163","","","","","","0.827","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033482","8.0251","0.0008","9.2087","0.0009","10.464","0.001","95.054","0.008","93.455","0.008","92.379","0.008","768.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O Zn -","- C14 H14 Cl2 N2 O Zn -","- C28 H28 Cl4 N4 O2 Zn2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.1561","0.0736","","","0.1606","0.2146","","","","","","0.951","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033483","8.0765","0.0005","9.3574","0.0005","10.5442","0.0005","94.409","0.004","93.636","0.004","92.85","0.004","791.73","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cd Cl2 N2 O -","- C14 H14 Cd Cl2 N2 O -","- C28 H28 Cd2 Cl4 N4 O2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0431","0.0337","","","0.071","0.0783","","","","","","1.037","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033484","7.9723","0.0005","9.355","0.0005","10.6022","0.001","94.084","0.006","93.391","0.006","93.839","0.005","785.32","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 Hg N2 O -","- C14 H14 Cl2 Hg N2 O -","- C28 H28 Cl4 Hg2 N4 O2 -","2","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0608","0.053","","","0.1125","0.1221","","","","","","1.046","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033485","8.089","0.0016","26.743","0.005","7.806","0.0016","90","","113.11","0.03","90","","1553.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd Cl2 N2 O2 -","- C14 H14 Cd Cl2 N2 O2 -","- C56 H56 Cd4 Cl8 N8 O8 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0791","0.0553","","","0.1212","0.1419","","","","","","0.81","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033486","8.1151","0.0004","27.0756","0.001","7.9481","0.0004","90","","114.015","0.006","90","","1595.2","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 Hg N2 O2 -","- C14 H14 Cl2 Hg N2 O2 -","- C56 H56 Cl8 Hg4 N8 O8 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.0648","0.0426","","","0.0762","0.0857","","","","","","1.038","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033487","7.722","0.0015","19.87","0.004","10.576","0.002","90","","91.5","0.03","90","","1622.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N2 O2 Zn -","- C14 H14 Cl2 N2 O2 Zn -","- C56 H56 Cl8 N8 O8 Zn4 -","4","1","","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Wei, Li-Guo; Wang, Xin-Ming; Zhang, Hui-Jie; Gao, Song; Yang, Yu-Lin; Wang, Yu-Lei","Synthesis and characterization of substituted Schiff-base ligands and their d(10) metal complexes: structure-induced luminescence tuning behaviors and applications in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5306","5322","10.1039/c4dt03602f","","","0.71073","MoKα","","0.1056","0.0796","","","0.1917","0.2072","","","","","","1.085","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033488","9.623","0.004","12.807","0.005","15.196","0.006","107.779","0.006","90.856","0.005","93.551","0.004","1778.8","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[MnCl2(DPEPO)].EtOH","","","- C38 H34 Cl2 Mn O4 P2 -","- C38 H34 Cl2 Mn O4 P2 -","- C76 H68 Cl4 Mn2 O8 P4 -","2","1","","Chen, Jun; Zhang, Qing; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Wu, A-Qing; Guo, Guo-Cong","Intense photo- and tribo-luminescence of three tetrahedral manganese(ii) dihalides with chelating bidentate phosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3289","3294","10.1039/c4dt03694h","","","0.71073","MoKα","","0.0583","0.0434","","","0.1337","0.1627","","","","","","1.025","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033489","9.717","0.005","12.898","0.006","15.304","0.007","107.441","0.007","91.153","0.004","94.176","0.004","1823.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[MnBr2(DPEPO)].EtOH","","","- C38 H34 Br2 Mn O4 P2 -","- C38 H34 Br2 Mn O4 P2 -","- C76 H68 Br4 Mn2 O8 P4 -","2","1","","Chen, Jun; Zhang, Qing; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Wu, A-Qing; Guo, Guo-Cong","Intense photo- and tribo-luminescence of three tetrahedral manganese(ii) dihalides with chelating bidentate phosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3289","3294","10.1039/c4dt03694h","","","0.71073","MoKα","","0.0693","0.0556","","","0.1809","0.1981","","","","","","1.009","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033490","12.244","0.006","16.451","0.007","18.121","0.009","90","","102.496","0.011","90","","3564","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[MnI2(DPEPO)]","","","- C36 H28 I2 Mn O3 P2 -","- C36 H28 I2 Mn O3 P2 -","- C144 H112 I8 Mn4 O12 P8 -","4","1","","Chen, Jun; Zhang, Qing; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Wu, A-Qing; Guo, Guo-Cong","Intense photo- and tribo-luminescence of three tetrahedral manganese(ii) dihalides with chelating bidentate phosphine oxide ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3289","3294","10.1039/c4dt03694h","","","0.71073","MoKα","","0.0353","0.0275","","","0.0665","0.0708","","","","","","0.996","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033491","10.8236","0.0019","11.424","0.0019","15.162","0.003","91.89","0.008","99.06","0.008","95.244","0.008","1841.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H40 F6 N P2 Ru Sb -","- C37 H40 F6 N P2 Ru Sb -","- C74 H80 F12 N2 P4 Ru2 Sb2 -","2","1","","Rodríguez-Bárzano, A; Lord, R. M.; Basri, A. M.; Phillips, R. M.; Blacker, A. J.; McGowan, P. C.","Synthesis and anticancer activity evaluation of η(5)-C5(CH3)4R ruthenium complexes bearing chelating diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3265","3270","10.1039/c4dt02748e","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0635","","","","","","1.06","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033492","8.213","0.01","24.04","0.03","8.22","0.014","90","","119.528","0.017","90","","1412","3","290","","290","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H14 B2 Br6 Fe N6 O6 -","- C28 H28 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1161","0.0576","","","0.1268","0.1472","","","","","","1.021","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033493","8.2075","0.0016","24.257","0.005","8.2107","0.0016","90","","119.427","0.003","90","","1423.8","0.5","270","","270","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1484","0.0606","","","0.123","0.1473","","","","","","0.991","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033494","8.1967","0.0017","24.248","0.005","8.1999","0.0018","90","","119.392","0.003","90","","1420","0.5","260","","260","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.134","0.0579","","","0.1269","0.1507","","","","","","0.983","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033495","8.2708","0.0018","24.252","0.005","16.382","0.004","90","","120.32","","90","","2836.5","1.1","250","","250","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C56 H72 B8 Br24 Fe4 N24 O24 -","4","1","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.2435","0.0834","","","0.1573","0.2019","","","","","","0.997","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033496","8.261","0.002","24.238","0.007","16.354","0.005","90","","120.34","0.01","90","","2826.1","1.4","220","","220","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C56 H72 B8 Br24 Fe4 N24 O24 -","4","1","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.2087","0.0811","","","0.1667","0.2026","","","","","","1.039","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033497","8.215","0.002","24.337","0.006","8.219","0.002","90","","119.347","0.003","90","","1432.3","0.6","245","","245","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1811","0.0842","","","0.1846","0.2263","","","","","","0.996","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033498","8.216","0.002","24.294","0.006","8.219","0.003","90","","119.409","0.003","90","","1429.1","0.7","265","","265","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1843","0.0609","","","0.1078","0.1337","","","","","","0.993","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033499","8.209","0.002","24.227","0.006","8.21","0.002","90","","119.472","0.003","90","","1421.5","0.6","280","","280","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 B2 Br6 Fe N6 O6 -","- C14 H18 B2 Br6 Fe N6 O6 -","- C28 H36 B4 Br12 Fe2 N12 O12 -","2","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1773","0.0582","","","0.0997","0.1236","","","","","","0.988","","","","has coordinates,has disorder","180040","2020-10-21","18:00:00",""
"7033500","17.687","0.003","8.4103","0.0014","17.601","0.003","90","","91.919","0.009","90","","2616.7","0.8","290","","290","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.084","0.0367","","","0.0576","0.0626","","","","","","1.003","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033501","17.6394","0.0011","8.3798","0.0006","17.5783","0.0012","90","","91.869","0.005","90","","2596.9","0.3","281","","281","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1035","0.04","","","0.0575","0.0638","","","","","","0.948","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033502","17.6284","0.0011","8.3742","0.0006","17.5745","0.0012","90","","91.838","0.005","90","","2593.1","0.3","273","","273","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.1007","0.0402","","","0.0598","0.0665","","","","","","0.945","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033503","17.5412","0.0018","8.3247","0.0009","17.5278","0.0019","90","","91.682","0.007","90","","2558.4","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.091","0.0426","","","0.0742","0.0838","","","","","","0.973","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033504","17.464","0.0015","8.2746","0.0008","17.4676","0.0015","90","","91.575","0.006","90","","2523.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.091","0.0479","","","0.089","0.1016","","","","","","1.006","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033505","17.4551","0.0011","8.2748","0.0005","17.4449","0.0011","90","","91.634","0.005","90","","2518.7","0.3","70","2","70","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.0649","0.0359","","","0.0656","0.0694","","","","","","0.982","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7033506","17.455","0.004","8.2599","0.0017","17.455","0.004","90","","91.56","0.03","90","","2515.7","1","60","2","60","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 B2 Br6 Co N6 O6 -","- C14 H18 B2 Br6 Co N6 O6 -","- C56 H72 B8 Br24 Co4 N24 O24 -","4","0.5","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Romanenko, Galina V.; Budnikova, Yulia G.; Zelinskii, Genrikh E.; Buzin, Michail I.; Voloshin, Yan Z.","First iron and cobalt(ii) hexabromoclathrochelates: structural, magnetic, redox, and electrocatalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2476","2487","10.1039/c4dt03082f","","","0.71073","MoKα","","0.0794","0.0445","","","0.0839","0.0902","","","","","","0.996","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033507","13.8986","0.0003","22.6091","0.0004","11.4831","0.0003","90","","103.482","0.001","90","","3508.95","0.13","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl5 Fe N3 Ru S Si -","- C28 H40 Cl5 Fe N3 Ru S Si -","- C112 H160 Cl20 Fe4 N12 Ru4 S4 Si4 -","4","1","","Adams, Muneebah; de Kock, Carmen; Smith, Peter J.; Land, Kirkwood M.; Liu, Nicole; Hopper, Melissa; Hsiao, Allyson; Burgoyne, Andrew R.; Stringer, Tameryn; Meyer, Mervin; Wiesner, Lubbe; Chibale, Kelly; Smith, Gregory S.","Improved antiparasitic activity by incorporation of organosilane entities into half-sandwich ruthenium(ii) and rhodium(iii) thiosemicarbazone complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2456","2468","10.1039/c4dt03234a","","","0.71073","MoKα","","0.069","0.0519","","","0.1402","0.1587","","","","","","1.064","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033508","10.29","0.004","18.442","0.007","22.634","0.009","71.323","0.005","89.96","0.005","83.263","0.005","4038","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co3 N16 O6 -","- C36 H40 Co3 N16 O6 -","- C144 H160 Co12 N64 O24 -","4","2","","Hazari, Alokesh; Kanta Das, Lakshmi; Kadam, Ramakant M.; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3862","3876","10.1039/c4dt03446e","","","0.71073","MoKα","","0.1542","0.1254","","","0.331","0.3456","","","","","","1.052","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033509","9.27","0.005","9.533","0.005","12.66","0.005","106.395","0.005","101.926","0.005","99.741","0.005","1018.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Co3 N16 O8 -","- C34 H40 Co3 N16 O8 -","- C34 H40 Co3 N16 O8 -","1","0.5","","Hazari, Alokesh; Kanta Das, Lakshmi; Kadam, Ramakant M.; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3862","3876","10.1039/c4dt03446e","","","0.71073","MoKα","","0.0387","0.0318","","","0.0873","0.0922","","","","","","1.054","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033510","14.906","0.005","9.326","0.005","15.164","0.005","90","0.005","92.428","0.005","90","0.005","2106.1","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H46 Co3 N16 O6.25 -","- C35 H46 Co3 N16 O6.25 -","- C70 H92 Co6 N32 O12.5 -","2","1","","Hazari, Alokesh; Kanta Das, Lakshmi; Kadam, Ramakant M.; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3862","3876","10.1039/c4dt03446e","","","0.71073","MoKα","","0.0578","0.0407","","","0.105","0.1153","","","","","","1.066","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033511","17.685","0.004","13.749","0.003","22.807","0.005","90","","110.15","0.002","90","","5206","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H58 B Ni P3 S2 -","- C61 H58 B Ni P3 S2 -","- C244 H232 B4 Ni4 P12 S8 -","4","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.6889","synchrotron","","0.095","0.053","","","0.1061","0.1169","","","","","","1.061","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033512","38.8301","0.0016","16.6153","0.0005","18.1236","0.0005","90","","90","","90","","11692.9","0.7","150.01","0.1","150.01","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C69 H66 B Ni O P3 S2 -","- C69 H66 B Ni O P3 S2 -","- C552 H528 B8 Ni8 O8 P24 S16 -","8","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.71073","MoKα","","0.0709","0.0486","","","0.09","0.1","","","","","","1.07","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033513","13.85","0.004","14.817","0.004","15.464","0.004","98.073","0.003","106.188","0.003","97.124","0.003","2972.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 B Ni O P3 S2 -","- C70 H68 B Ni O P3 S2 -","- C140 H136 B2 Ni2 O2 P6 S4 -","2","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.6889","synchrotron","","0.0681","0.0447","","","0.1118","0.1259","","","","","","1.079","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033514","13.9329","0.0003","14.4258","0.0003","15.6129","0.0003","93.532","0.0017","106.712","0.0017","98.158","0.0017","2957.72","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H61 B Cl3 Ni P3 S2 -","- C66.996 H60.996 B Cl2.988 Ni P3 S2 -","- C133.992 H121.992 B2 Cl5.976 Ni2 P6 S4 -","2","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.71073","MoKα","","0.0551","0.0377","","","0.0828","0.0937","","","","","","1.043","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033515","13.9067","0.0009","14.4762","0.0009","15.5552","0.001","93.2523","0.0019","106.76","0.0019","98.3313","0.0019","2950.8","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 B Ni O2 P3 S2 -","- C70 H68 B Ni O2 P3 S2 -","- C140 H136 B2 Ni2 O4 P6 S4 -","2","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","x-ray","0.71073","MoKα","K-L~3~","0.065","0.0434","","","0.1009","0.1103","","","","","","1.02","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033516","13.8395","0.0003","14.8535","0.0004","15.4286","0.0004","98.071","0.002","106.232","0.002","97.21","0.002","2969.37","0.14","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C69 H65 B Cl Ni O P3 S2 -","- C69 H65 B Cl Ni O P3 S2 -","- C138 H130 B2 Cl2 Ni2 O2 P6 S4 -","2","1","","Alwaaly, Ahmed; Clegg, William; Henderson, Richard A.; Probert, Michael R.; Waddell, Paul G.","Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3307","3317","10.1039/c4dt03543g","","","0.71073","MoKα","","0.0608","0.0404","","","0.0897","0.1011","","","","","","1.026","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033517","9.3974","0.0004","11.8652","0.0004","17.5161","0.001","101.422","0.004","92.112","0.004","89.97","0.003","1913.05","0.15","293","2","293","2","","","","","","","synthesis","6","P -1","-P 1","2","","unk","","- C40 H49 Cl Co N4 O2 -","- C40 H49 Cl Co N4 O2 -","- C80 H98 Cl2 Co2 N8 O4 -","2","1","","Rakshit, Richa; Ghorai, Samir; Sarmah, Amrit; Tiwari, Archana; Roy, Ram Kinkar; Mukherjee, Chandan","Inter-ligand azo (N[double bond, length as m-dash]N) unit formation and stabilization of a Co(ii)-diradical complex via metal-to-ligand dπ-pπ* back donation: synthesis, characterization, and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3724","3727","10.1039/c4dt03214d","","x-ray","0.71073","MoKα","","0.0753","0.0499","","","0.1054","0.1198","","","","","","1.023","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033518","13.6388","0.0004","26.1547","0.0007","15.1412","0.0004","90","","90","","90","","5401.1","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[MnIII(OMe)(dpaq)](OTf)","","- C50 H46 F6 Mn2 N10 O10.73 S2 -","- C50 H46 F6 Mn2 N10 O10.73 S2 -","- C200 H184 F24 Mn8 N40 O42.92 S8 -","4","1","","Wijeratne, Gayan B.; Day, Victor W.; Jackson, Timothy A.","O-H bond oxidation by a monomeric Mn(III)-OMe complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3295","3306","10.1039/c4dt03546a","","","1.54178","CuKα","","0.0757","0.0748","","","0.2117","0.2131","","","","","","1.051","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033519","8.3515","0.0002","9.8243","0.0003","18.2097","0.0005","78.347","0.001","80.943","0.001","86.333","0.002","1444.23","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Cl Ga N5 O8 -","- C27 H37 Cl Ga N5 O8 -","- C54 H74 Cl2 Ga2 N10 O16 -","2","1","","Silva, Francisco; Campello, Maria Paula C.; Gano, Lurdes; Fernandes, Célia; Santos, Isabel C.; Santos, Isabel; Ascenso, José R; João Ferreira, M; Paulo, António","Chemical, radiochemical and biological studies of new gallium(iii) complexes with hexadentate chelators.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3342","3355","10.1039/c4dt02274b","","","0.71073","MoKα","","0.0746","0.0437","","","0.1022","0.1121","","","","","","0.973","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033520","14.2384","0.0005","12.5399","0.0004","17.0528","0.0006","90","","98.761","0.001","90","","3009.22","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl4 Ga N5 O6 -","- C26 H34 Cl4 Ga N5 O6 -","- C104 H136 Cl16 Ga4 N20 O24 -","4","1","","Silva, Francisco; Campello, Maria Paula C.; Gano, Lurdes; Fernandes, Célia; Santos, Isabel C.; Santos, Isabel; Ascenso, José R; João Ferreira, M; Paulo, António","Chemical, radiochemical and biological studies of new gallium(iii) complexes with hexadentate chelators.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3342","3355","10.1039/c4dt02274b","","","0.71069","MoKα","","0.0639","0.0432","","","0.1027","0.1094","","","","","","1.07","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033521","7.9018","0.0003","11.6269","0.0004","30.261","0.0011","90","","91.358","0.001","90","","2779.4","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl Ga N5 O7 -","- C26 H37 Cl Ga N5 O7 -","- C104 H148 Cl4 Ga4 N20 O28 -","4","1","","Silva, Francisco; Campello, Maria Paula C.; Gano, Lurdes; Fernandes, Célia; Santos, Isabel C.; Santos, Isabel; Ascenso, José R; João Ferreira, M; Paulo, António","Chemical, radiochemical and biological studies of new gallium(iii) complexes with hexadentate chelators.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3342","3355","10.1039/c4dt02274b","","","0.71073","MoKα","","0.0543","0.0395","","","0.0895","0.0942","","","","","","1.072","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033522","22.5793","0.0005","10.5056","0.0002","23.2529","0.0005","90","","117.545","0.001","90","","4890.57","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl Ga N4 O6 -","- C24 H28 Cl Ga N4 O6 -","- C192 H224 Cl8 Ga8 N32 O48 -","8","2","","Silva, Francisco; Campello, Maria Paula C.; Gano, Lurdes; Fernandes, Célia; Santos, Isabel C.; Santos, Isabel; Ascenso, José R; João Ferreira, M; Paulo, António","Chemical, radiochemical and biological studies of new gallium(iii) complexes with hexadentate chelators.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3342","3355","10.1039/c4dt02274b","","","0.71073","MoKα","","0.0325","0.0252","","","0.0588","0.0609","","","","","","1.046","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033523","32.355","0.003","34.276","0.003","25.584","0.002","90","","90","","90","","28373","4","93","","93","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C47.5 H108 N12 Na2 P4 Te5 -","- C47.5 H108 N12 Na2 P4 Te5 -","- C760 H1728 N192 Na32 P64 Te80 -","16","1","","Nordheider, Andreas; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","Sodium and rhodium complexes of a spirocyclic Te5 dianion supported by P2N2 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8781","8783","10.1039/c4dt03257h","","","0.71075","MoKα","","","0.0508","","","","0.0986","","","","","","0.842","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033524","11.021","0.002","14.951","0.003","15.893","0.003","90","","113.47","0.03","90","","2402.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N2 P4 Te5 -","- C48 H40 N2 P4 Te5 -","- C96 H80 N4 P8 Te10 -","2","0.5","","Nordheider, Andreas; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","Sodium and rhodium complexes of a spirocyclic Te5 dianion supported by P2N2 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8781","8783","10.1039/c4dt03257h","","","0.71073","MoKα","","0.0583","0.0342","","","0.0714","0.0822","","","","","","1.078","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033525","15.98","0.003","19.756","0.004","18.904","0.004","90","","95.606","0.004","90","","5939","2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H87 N8 P4 Rh Te5 -","- C42 H87 N8 P4 Rh Te5 -","- C168 H348 N32 P16 Rh4 Te20 -","4","1","","Nordheider, Andreas; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","Sodium and rhodium complexes of a spirocyclic Te5 dianion supported by P2N2 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8781","8783","10.1039/c4dt03257h","","","0.71075","MoKα","","","0.049","","","","0.1352","","","","","","0.979","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033526","28.1201","0.0004","28.1201","0.0004","28.1201","0.0004","90","","90","","90","","22235.7","0.5","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C121 H94 Co10 N15 O27.5 -","- C121 H93 Co10 N15 O27.5 -","- C968 H744 Co80 N120 O220 -","8","0.333333","","Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2964","2969","10.1039/c4dt02999b","","","0.71073","MoKα","","0.1348","0.0679","","","0.1378","0.1783","","","","","","1.067","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033527","28.2948","0.0003","28.2948","0.0003","28.2948","0.0003","90","","90","","90","","22652.7","0.4","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C121 H94 Mn10 N15 O27.5 -","- C121 H93 Mn10 N15 O27.5 -","- C968 H744 Mn80 N120 O220 -","8","0.333333","","Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2964","2969","10.1039/c4dt02999b","","","0.71073","MoKα","","0.1927","0.0844","","","0.1901","0.2663","","","","","","1.025","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033528","11.0742","0.0004","13.6865","0.0005","17.0032","0.0007","90","","105.997","0.003","90","","2477.33","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Cl2 Co4 N6 O6 -","- C54 H36 Cl2 Co4 N6 O6 -","- C108 H72 Cl4 Co8 N12 O12 -","2","0.5","","Khakhlary, Prithiviraj; E Anson, Christopher; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structural and magnetic properties of oxyquinolinate clusters of cobalt(ii) and manganese(ii) and serendipitous intake of carbonate during synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2964","2969","10.1039/c4dt02999b","","","0.71073","MoKα","","0.0942","0.0521","","","0.1247","0.1431","","","","","","1.048","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033529","28.251","0.003","13.5819","0.001","22.091","0.002","90","","125.407","0.007","90","","6908.7","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Br6 Cl2 Co N2 O4 -","- C28 H19 Br6 Co N2 O4 -","- C224 H152 Br48 Co8 N16 O32 -","8","1","","Basu, Debashis; Allard, Marco M.; Xavier, Fernando R.; Heeg, Mary Jane; Schlegel, H. Bernhard; Verani, Claudio N.","Modulation of electronic and redox properties in phenolate-rich cobalt(iii) complexes and their implications for catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3454","3466","10.1039/c4dt03337j","","","0.71073","MoKα","","0.1129","0.0822","","","0.2112","0.2218","","","","","","1.076","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033530","22.026","0.001","12.9174","0.0006","22.631","0.0012","90","","116.109","0.003","90","","5781.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Cl6 Co N2 O4 -","- C28 H19 Cl6 Co N2 O4 -","- C224 H152 Cl48 Co8 N16 O32 -","8","1","","Basu, Debashis; Allard, Marco M.; Xavier, Fernando R.; Heeg, Mary Jane; Schlegel, H. Bernhard; Verani, Claudio N.","Modulation of electronic and redox properties in phenolate-rich cobalt(iii) complexes and their implications for catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3454","3466","10.1039/c4dt03337j","","","0.71073","MoKα","","0.067","0.0439","","","0.1092","0.1221","","","","","","0.974","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033531","9.467","0.003","20.563","0.007","10.445","0.003","90","","96.812","0.01","90","","2019","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pyrimidine_mono_H_BPh2","","","- C24 H18 B Cl N2 O -","- C24 H18 B Cl N2 O -","- C96 H72 B4 Cl4 N8 O4 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0618","0.0501","","","0.13","0.1408","","","","","","1.026","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033532","10.343","0.003","20.367","0.008","10.514","0.002","90","","92.628","0.011","90","","2212.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","pyrimidine_mono_CF3_BPh2","","","- C25 H17 B Cl F3 N2 O -","- C25 H17 B Cl F3 N2 O -","- C100 H68 B4 Cl4 F12 N8 O4 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0699","0.0511","","","0.135","0.1559","","","","","","1.104","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033533","10.425","0.004","21.35","0.006","10.573","0.003","90","","117.211","0.008","90","","2092.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","pyrimidine_mono_CN_BPh2","","","- C25 H17 B Cl N3 O -","- C25 H17 B Cl N3 O -","- C100 H68 B4 Cl4 N12 O4 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0782","0.0549","","","0.1432","0.1665","","","","","","1.062","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033534","10.102","0.002","20.037","0.004","10.665","0.002","90","","92.7166","0.001","90","","2156.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pyrimidine_mono_OMe_BPh2","","","- C25 H20 B Cl N2 O2 -","- C25 H20 B Cl N2 O2 -","- C100 H80 B4 Cl4 N8 O8 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0701","0.0572","","","0.1527","0.1682","","","","","","1.024","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033535","8.885","0.008","12.288","0.011","20.917","0.019","90","","97.033","0.012","90","","2267","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pyrimidine_mono_NMe2_BPh2","","","- C26 H23 B Cl N3 O -","- C26 H23 B Cl N3 O -","- C104 H92 B4 Cl4 N12 O4 -","4","1","","Kubota, Yasuhiro; Kasatani, Kouhei; Takai, Hiroki; Funabiki, Kazumasa; Matsui, Masaki","Strategy to enhance solid-state fluorescence and aggregation-induced emission enhancement effect in pyrimidine boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3326","3341","10.1039/c4dt03318c","","","0.71075","MoKα","","0.0752","0.0534","","","0.1247","0.137","","","","","","1.074","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033536","17.5564","0.001","10.6174","0.0006","25.2308","0.0014","90","","90","","90","","4703.1","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Dy N5 O8 -","- C20 H24 Dy N5 O8 -","- C160 H192 Dy8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0347","0.0252","","","0.0615","0.0665","","","","","","1.027","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033537","17.4707","0.0014","10.7118","0.0009","25.398","0.002","90","","90","","90","","4753","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Er N5 O8 -","- C20 H24 Er N5 O8 -","- C160 H192 Er8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0425","0.0347","","","0.0718","0.076","","","","","","1.117","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033538","17.497","0.002","10.6651","0.0012","25.333","0.003","90","","90","","90","","4727.3","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ho N5 O8 -","- C20 H24 Ho N5 O8 -","- C160 H192 Ho8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0539","0.031","","","0.0612","0.069","","","","","","1.029","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033539","17.5789","0.0015","10.6997","0.0009","25.33","0.002","90","","90","","90","","4764.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N5 O8 Tb -","- C20 H24 N5 O8 Tb -","- C160 H192 N40 O64 Tb8 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0525","0.0295","","","0.064","0.0731","","","","","","1.029","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033540","15.3398","0.0015","16.6898","0.0017","18.9655","0.0019","90","","94.375","0.002","90","","4841.4","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H61 Cl6 I N6 O2 P4 Pd -","- C32 H61 Cl6 I N6 O2 P4 Pd -","- C128 H244 Cl24 I4 N24 O8 P16 Pd4 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.058","0.0459","","","0.0973","0.102","","","","","","1.169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033541","16.6214","0.0016","15.2055","0.0015","19.0941","0.0019","90","","91.53","0.001","90","","4824.1","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H61 Cl6 I N6 Ni O2 P4 -","- C32 H61 Cl6 I N6 Ni O2 P4 -","- C128 H244 Cl24 I4 N24 Ni4 O8 P16 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.0979","0.0563","","","0.1199","0.1428","","","","","","1.058","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033542","15.39","0.004","19.203","0.005","18.045","0.005","90","","111.99","0.004","90","","4945","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H118 Cu4 I6 N12 O4 P8 Pd2 -","- C60 H118 Cu4 I6 N12 O4 P8 Pd2 -","- C120 H236 Cu8 I12 N24 O8 P16 Pd4 -","2","0.5","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.0523","0.0429","","","0.0969","0.1031","","","","","","1.048","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033543","15.4735","0.0008","19.4221","0.001","17.5182","0.0009","90","","113.46","0.001","90","","4829.5","0.4","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C61 H122 Br4 Cl2 Cu4 I2 N12 O5 P8 Pd2 -","- C61 H122 Br4 Cl2 Cu4 I2 N12 O5 P8 Pd2 -","- C122 H244 Br8 Cl4 Cu8 I4 N24 O10 P16 Pd4 -","2","0.5","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.0805","0.0626","","","0.1779","0.195","","","","","","1.058","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033544","28.754","0.003","8.4632","0.0008","16.4274","0.0015","90","","90","","90","","3997.6","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H59 I N6 O2 P4 -","- C30 H59 I N6 O2 P4 -","- C120 H236 I4 N24 O8 P16 -","4","1","","Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.","A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3785","3793","10.1039/c4dt02810d","","","0.71073","MoKα","","0.0413","0.0382","","","0.0915","0.0929","","","","","","1.131","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033545","8.8542","0.0004","12.5098","0.0007","15.4307","0.0007","88.642","0.001","89.49","0.001","84.725","0.001","1701.41","0.14","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H32 B2 Co F8 N6 O4 -","- C33 H32 B2 Co F8 N6 O4 -","- C66 H64 B4 Co2 F16 N12 O8 -","2","1","","Hayami, Shinya; Nakaya, Manabu; Ohmagari, Hitomi; Alao, Amolegbe Saliu; Nakamura, Masaaki; Ohtani, Ryo; Yamaguchi, Ryotaro; Kuroda-Sowa, Takayoshi; Clegg, Jack K.","Spin-crossover behaviors in solvated cobalt(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9345","9348","10.1039/c4dt03743j","","","0.71073","MoKα","","0.0674","0.0552","","","0.1495","0.1591","","","","","","1.203","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033546","21.5593","0.0008","14.9117","0.0004","12.1365","0.0003","90","","117.425","0.001","90","","3463.2","0.18","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 B2 Co F8 N6 O3 -","- C35 H32 B2 Co F8 N6 O3 -","- C140 H128 B8 Co4 F32 N24 O12 -","4","0.5","","Hayami, Shinya; Nakaya, Manabu; Ohmagari, Hitomi; Alao, Amolegbe Saliu; Nakamura, Masaaki; Ohtani, Ryo; Yamaguchi, Ryotaro; Kuroda-Sowa, Takayoshi; Clegg, Jack K.","Spin-crossover behaviors in solvated cobalt(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9345","9348","10.1039/c4dt03743j","","","0.71075","MoKα","","","0.0264","","","","0.0666","","","","","","1.07","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033547","22.785","0.0005","27.3331","0.0005","39.2083","0.001","90","","99.209","0.002","90","","24103.6","0.9","122.97","0.13","122.97","0.13","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C168 H255 Ag42 Cl4 Eu O38 W10 -","- C167 H252 Ag42 Cl4 Eu O38 W10 -","- C668 H1008 Ag168 Cl16 Eu4 O152 W40 -","4","1","","Song, Chao-Yu; Chai, Dong-Feng; Zhang, Rui-Ren; Liu, Hong; Qiu, Yun-Feng; Guo, Hua-Dong; Gao, Guang-Gang","A silver-alkynyl cluster encapsulating a fluorescent polyoxometalate core: enhanced emission and fluorescence modulation.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3997","4002","10.1039/c4dt03826f","","","0.71073","MoKα","","0.0903","0.0575","","","0.1256","0.1457","","","","","","1.08","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033548","14.747","0.002","8.8586","0.0004","13.4233","0.001","90","","119.302","0.007","90","","1529.2","0.3","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Co N14 -","- C10 H8 Co N14 -","- C40 H32 Co4 N56 -","4","0.5","","Palion-Gazda, Joanna; Klemens, Tomasz; Machura, Barbara; Vallejo, Julia; Lloret, Francesc; Julve, Miguel","Single ion magnet behaviour in a two-dimensional network of dicyanamide-bridged cobalt(ii) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2989","2992","10.1039/c4dt03574g","","","0.71073","MoKα","","0.0316","0.0253","","","0.0599","0.0625","","","","","","1.041","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033549","9.2153","0.0004","9.6712","0.0004","20.4152","0.0007","82.351","0.001","85.353","0.004","68.282","0.003","1674.27","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Br Ni P2 -","- C37 H53 Br Ni P2 -","- C74 H106 Br2 Ni2 P4 -","2","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0824","0.0598","","","0.1103","0.1225","","","","","","1.166","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033550","18.505","0.0006","16.1911","0.0004","23.0219","0.0005","90","","124.093","0.002","90","","5712.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Cl Ni P2 -","- C29 H45 Cl Ni P2 -","- C232 H360 Cl8 Ni8 P16 -","8","2","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.1052","0.074","","","0.1355","0.1526","","","","","","1.147","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033551","10.6682","0.0003","13.0871","0.0005","10.8509","0.0004","90","","96.579","0.003","90","","1504.98","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H43 N Ni O P2 -","- C32 H43 N Ni O P2 -","- C64 H86 N2 Ni2 O2 P4 -","2","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0609","0.0507","","","0.1002","0.1068","","","","","","1.093","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033552","11.0173","0.0004","24.8752","0.0007","17.1986","0.0009","90","","90.358","0.001","90","","4713.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H57 N3 Ni O3 P2 -","- C46 H57 N3 Ni O3 P2 -","- C184 H228 N12 Ni4 O12 P8 -","4","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0937","0.0713","","","0.1458","0.1549","","","","","","1.168","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033553","9.2432","0.0004","15.3651","0.0005","9.4633","0.0006","90","","103.045","0.003","90","","1309.32","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H40 Ni O2 P2 -","- C27 H40 Ni O2 P2 -","- C54 H80 Ni2 O4 P4 -","2","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0806","0.0626","","","0.1196","0.1323","","","","","","1.161","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033554","11.1512","0.0006","13.4171","0.0005","17.673","0.0008","90","","110.081","0.003","90","","2483.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N Ni P2 -","- C26 H37 N Ni P2 -","- C104 H148 N4 Ni4 P8 -","4","1","","Borau-Garcia, J; Gutsulyak, D. V.; Burford, R. J.; Piers, W. E.","Selective hydration of nitriles to amides catalysed by PCP pincer supported nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12082","12085","10.1039/c4dt03902e","","","0.71073","MoKα","","0.0781","0.0617","","","0.1308","0.1422","","","","","","1.112","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033555","10.057","0.004","11.09","0.004","12.102","0.004","95.619","0.006","113.535","0.005","93.643","0.006","1223.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Gd Mn0.5 O8 -","- C28 H20 Gd Mn0.5 O8 -","- C56 H40 Gd2 Mn O16 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","[Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with divalent manganese ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3430","3438","10.1039/c4dt03713h","","","0.71073","MoKα","","0.0714","0.0472","","","0.0853","0.0966","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033556","10.0559","0.0016","11.0995","0.0018","12.0981","0.0019","95.703","0.003","113.502","0.002","93.67","0.003","1224.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Mn0.5 O8 Tb -","- C28 H20 Mn0.5 O8 Tb -","- C56 H40 Mn O16 Tb2 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","[Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with divalent manganese ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3430","3438","10.1039/c4dt03713h","","","0.71073","MoKα","","0.0436","0.0333","","","0.0658","0.0705","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033557","10.0369","0.0011","11.0999","0.0012","12.069","0.0013","95.808","0.002","113.305","0.002","93.734","0.002","1220.4","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Dy Mn0.5 O8 -","- C28 H20 Dy Mn0.5 O8 -","- C56 H40 Dy2 Mn O16 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","[Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with divalent manganese ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3430","3438","10.1039/c4dt03713h","","","0.71073","MoKα","","0.0541","0.0393","","","0.0764","0.0824","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033558","10.02","0.003","11.088","0.003","12.067","0.003","95.722","0.004","113.233","0.004","93.782","0.005","1217.7","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Ho Mn0.5 O8 -","- C28 H20 Ho Mn0.5 O8 -","- C56 H40 Ho2 Mn O16 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","[Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with divalent manganese ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3430","3438","10.1039/c4dt03713h","","","0.71073","MoKα","","0.0683","0.0459","","","0.0783","0.088","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033559","10.051","0.002","11.113","0.002","12.086","0.003","95.695","0.004","113.292","0.004","93.752","0.004","1225.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Er Mn0.5 O8 -","- C28 H20 Er Mn0.5 O8 -","- C56 H40 Er2 Mn O16 -","2","1","","Li, Xiao-Lei; Min, Fan-Yong; Wang, Chao; Lin, Shuang-Yan; Liu, Zhiliang; Tang, Jinkui","[Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with divalent manganese ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3430","3438","10.1039/c4dt03713h","","","0.71073","MoKα","","0.0677","0.0458","","","0.0935","0.1045","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033560","12.324","0.0004","10.065","0.0003","15.265","0.0005","90","","92.552","0.002","90","","1891.61","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H50 Cl2 Cu2 N14 O10 -","- C27 H50 Cl2 Cu2 N14 O10 -","- C54 H100 Cl4 Cu4 N28 O20 -","2","1","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.0731","0.0479","","","0.1043","0.1193","","","","","","1.05","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033561","12.667","0.0002","13.527","0.0003","21.673","0.0005","79.75","0.001","76.055","0.001","62.096","0.001","3175.9","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H180 Cu6 N28 O42 S6 -","- C96 H180 Cu6 N28 O42 S6 -","- C96 H180 Cu6 N28 O42 S6 -","1","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.0649","0.0501","","","0.1203","0.1258","","","","","","1.084","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033562","29.507","0.0004","12.23","0.0002","20.978","0.0003","90","","90","","90","","7570.34","0.19","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C54 H94 Cu6 N34 O20 -","- C54 H94 Cu6 N34 O20 -","- C216 H376 Cu24 N136 O80 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.077","0.0428","","","0.1101","0.1255","","","","","","1.028","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033563","17.295","0.0007","12.206","0.0004","23.124","0.001","90","","95.39","0.002","90","","4860","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H120.33 Cl6 Cu6 N34 O16.35 -","- C62 H120.333 Cl6 Cu6 N34 O16.3466 -","- C124 H240.666 Cl12 Cu12 N68 O32.6932 -","2","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.1061","0.0677","","","0.1967","0.2239","","","","","","1.014","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033564","11.9157","0.0005","16.0385","0.0005","21.0439","0.0007","107.848","0.002","96.552","0.002","105.634","0.002","3600.6","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H61 B2 Fe2 N30 Ni O -","- C59 H61 B2 Fe2 N30 Ni O -","- C118 H122 B4 Fe4 N60 Ni2 O2 -","2","1","","Zhuang, Peng-Fei; Zhang, Yan-Juan; Zheng, Hui; Jiao, Cheng-Qi; Zhao, Liang; Wang, Jun-Li; He, Cheng; Duan, Chun-Ying; Liu, Tao","Single-molecule magnet behavior in three cyano-bridged heterometallic Fe(III)-Ni(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3393","3398","10.1039/c4dt03365e","","","0.71073","MoKα","","0.0877","0.0624","","","0.1921","0.2086","","","","","","1.059","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033565","11.365","0.003","13.635","0.003","14.687","0.003","104.044","0.016","91.199","0.014","99.696","0.015","2171.8","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H66 B4 F8 Fe2 N34 Ni2 O4 -","- C70 H66 B4 F8 Fe2 N34 Ni2 O4 -","- C70 H66 B4 F8 Fe2 N34 Ni2 O4 -","1","0.5","","Zhuang, Peng-Fei; Zhang, Yan-Juan; Zheng, Hui; Jiao, Cheng-Qi; Zhao, Liang; Wang, Jun-Li; He, Cheng; Duan, Chun-Ying; Liu, Tao","Single-molecule magnet behavior in three cyano-bridged heterometallic Fe(III)-Ni(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3393","3398","10.1039/c4dt03365e","","","0.71073","MoKα","","0.1144","0.0918","","","0.2473","0.2574","","","","","","1.083","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033566","13.4477","0.0008","13.8536","0.0008","13.9678","0.0011","118.14","0.004","114.968","0.004","91.022","0.004","2002.1","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H54 B2 Cl2 Fe2 N26 Ni2 O10 -","- C72 H54 B2 Cl2 Fe2 N26 Ni2 O10 -","- C72 H54 B2 Cl2 Fe2 N26 Ni2 O10 -","1","0.5","","Zhuang, Peng-Fei; Zhang, Yan-Juan; Zheng, Hui; Jiao, Cheng-Qi; Zhao, Liang; Wang, Jun-Li; He, Cheng; Duan, Chun-Ying; Liu, Tao","Single-molecule magnet behavior in three cyano-bridged heterometallic Fe(III)-Ni(II) clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3393","3398","10.1039/c4dt03365e","","","0.71073","MoKα","","0.0828","0.0538","","","0.1471","0.1637","","","","","","0.936","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033567","10.0877","0.0008","11.718","0.0008","13.6686","0.001","95.54","0.006","93.267","0.006","95.334","0.007","1597.7","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 F5 N2 O2 -","- C17 H9 F5 N2 O2 -","- C68 H36 F20 N8 O8 -","4","2","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1438","0.0626","","","0.1379","0.1939","","","","","","0.865","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7033568","12.0938","0.0006","14.2191","0.0011","14.6822","0.0011","104.393","0.007","90.013","0.005","95.477","0.005","2433.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 F5 N4 -","- C25 H25 F5 N4 -","- C100 H100 F20 N16 -","4","2","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1404","0.0831","","","0.1487","0.1692","","","","","","1.125","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033569","23.483","0.005","19.497","0.005","20.55","0.005","90","0.005","107.498","0.005","90","0.005","8973","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Br2 F10 Fe2 N8 O -","- C74 H64 Br2 F10 Fe2 N8 O -","- C296 H256 Br8 F40 Fe8 N32 O4 -","4","0.5","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1483","0.0703","","","0.1732","0.2202","","","","","","0.942","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033570","29.8511","0.0018","27.674","0.002","7.773","0.0008","90","","90","","90","","6421.3","0.9","170","2","170","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C66 H66 F10 N8 O4 -","- C66 H66 F10 N8 O4 -","- C264 H264 F40 N32 O16 -","4","1","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1351","0.076","","","0.2005","0.2458","","","","","","1.033","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033571","13.5433","0.0007","14.8529","0.0009","17.1922","0.0007","107.163","0.005","98.36","0.004","108.596","0.005","3020.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H52 F10 N8 O5 -","- C66 H52 F10 N8 O5 -","- C132 H104 F20 N16 O10 -","2","1","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","1.5418","CuKα","","0.1361","0.0781","","","0.1949","0.2337","","","","","","1.024","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033572","12.116","0.0003","14.6689","0.0004","21.0498","0.0005","89.765","0.002","86.422","0.002","85.304","0.002","3721.32","0.16","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H65 Cu2 F10 N15 -","- C85 H65 Cu2 F10 N15 -","- C170 H130 Cu4 F20 N30 -","2","1","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.0872","0.0607","","","0.1603","0.1776","","","","","","1.026","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033573","8.0044","0.0002","16.3501","0.0004","20.0568","0.0004","97.223","0.002","98.673","0.002","92.044","0.002","2570.28","0.11","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H30 Cu2 F10 N8 O0 -","- C62 H30 Cu2 F10 N8 -","- C124 H60 Cu4 F20 N16 -","2","1","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.0563","0.0402","","","0.1077","0.1167","","","","","","1.02","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033574","12.39","0.0007","24.4018","0.0014","19.8715","0.001","90","","103.654","0.005","90","","5838.1","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Cl0 Cu2 N8 -","- C58 H48 Cu2 N8 -","- C232 H192 Cu8 N32 -","4","0.5","","Pankhurst, James R.; Cadenbach, Thomas; Betz, Daniel; Finn, Colin; Love, Jason B.","Towards dipyrrins: oxidation and metalation of acyclic and macrocyclic Schiff-base dipyrromethanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2066","2070","10.1039/c4dt03592e","","","0.71073","MoKα","","0.1077","0.0625","","","0.1587","0.1792","","","","","","1.043","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033575","14.4453","0.0004","11.1637","0.0002","16.9059","0.0004","90","","102.438","0.001","90","","2662.31","0.11","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","em12rd85 THF/Hex","","","- C44 H10 Au2 Cl20 N2 Tl2 -","- C44 H10 Au2 Cl20 N2 Tl2 -","- C88 H20 Au4 Cl40 N4 Tl4 -","2","0.5","","Arca, Massimiliano; Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","1,4-Bis(2'-pyridylethynyl)benzene as a ligand in heteronuclear gold-thallium complexes. Influence of the ancillary ligands on their optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6719","6730","10.1039/c4dt03413a","","x-ray","0.71073","MoKα","","0.0355","0.0253","","","0.0529","0.0557","","","","","","1.064","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033576","11.7559","0.0003","20.7957","0.0003","12.7198","0.0005","90","","115.883","0.004","90","","2797.7","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H24 Au2 F20 N4 Tl2 -","- C64 H24 Au2 F20 N4 Tl2 -","- C128 H48 Au4 F40 N8 Tl4 -","2","0.5","","Arca, Massimiliano; Donamaría, Rocío; Gimeno, M Concepción; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","1,4-Bis(2'-pyridylethynyl)benzene as a ligand in heteronuclear gold-thallium complexes. Influence of the ancillary ligands on their optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6719","6730","10.1039/c4dt03413a","","","0.71073","MoKα","","0.0312","0.0288","","","0.073","0.0748","","","","","","1.098","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7033577","16.688","0.007","16.688","0.007","17.36","0.014","90","","90","","90","","4835","5","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C52 H45 Eu N8 O16 -","- C52 H44 Eu N8 O16 -","- C208 H176 Eu4 N32 O64 -","4","0.5","","Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang","Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4362","4369","10.1039/c4dt03326d","","","0.71073","MoKα","","0.0696","0.0482","","","0.1226","0.1442","","","","","","1.021","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033578","16.614","0.0004","16.614","0.0004","17.3352","0.001","90","","90","","90","","4784.9","0.3","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C52 H45 N8 O16 Tb -","- C52 H45 N8 O16 Tb -","- C208 H180 N32 O64 Tb4 -","4","0.5","","Shi, Bingbing; Zhong, Yuanhao; Guo, Lili; Li, Gang","Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal-organic frameworks for luminescence sensing of benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4362","4369","10.1039/c4dt03326d","","","0.71073","MoKα","","0.042","0.0316","","","0.0723","0.0755","","","","","","1.009","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033579","12.1796","0.0017","26.148","0.004","17.534","0.003","90","","104.082","0.002","90","","5416.3","1.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Cl Ir N6 -","- C48 H30 Cl Ir N6 -","- C192 H120 Cl4 Ir4 N24 -","4","1","","Xue, Fengfeng; Ma, Yunsheng; Zhou, Zhiguo; Qin, Lijie; Lu, Yang; Yang, Hong; Yang, Shiping","Second-sphere coordination-induced morphology transformation from phosphorescent nanowires to microcubes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2970","2972","10.1039/c4dt00640b","","","0.71073","MoKα","","0.1047","0.0721","","","0.1677","0.1764","","","","","","1.07","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033580","12.5702","0.0002","25.9873","0.0004","17.7066","0.0003","90","","102.355","0.002","90","","5650.18","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H35 Ir N6 O6 -","- C57 H35 Ir N6 O6 -","- C228 H140 Ir4 N24 O24 -","4","1","","Xue, Fengfeng; Ma, Yunsheng; Zhou, Zhiguo; Qin, Lijie; Lu, Yang; Yang, Hong; Yang, Shiping","Second-sphere coordination-induced morphology transformation from phosphorescent nanowires to microcubes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2970","2972","10.1039/c4dt00640b","","","1.54178","CuKα","","0.0697","0.062","","","0.1217","0.1241","","","","","","1.156","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033581","18.0309","0.0004","10.7197","0.0004","20.3059","0.0006","90","","111.574","0.002","90","","3649.9","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cd Cl2 N8 O4 -","- C34 H40 Cd Cl2 N8 O4 -","- C136 H160 Cd4 Cl8 N32 O16 -","4","0.5","","Kar, Chirantan; Samanta, Soham; Goswami, Sudeep; Ramesh, Aiyagari; Das, Gopal","A single probe to sense Al(iii) colorimetrically and Cd(ii) by turn-on fluorescence in physiological conditions and live cells, corroborated by X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4123","4132","10.1039/c4dt01433b","","","0.71073","MoKα","","0.0422","0.0308","","","0.0958","0.1066","","","","","","0.783","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033582","5.9895","0.0004","14.7978","0.0008","17.8142","0.0014","90","","96.481","0.006","90","","1568.81","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","2","","Kar, Chirantan; Samanta, Soham; Goswami, Sudeep; Ramesh, Aiyagari; Das, Gopal","A single probe to sense Al(iii) colorimetrically and Cd(ii) by turn-on fluorescence in physiological conditions and live cells, corroborated by X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4123","4132","10.1039/c4dt01433b","","","0.71073","MoKα","","0.1564","0.0776","","","0.2489","0.318","","","","","","0.932","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033583","15.3688","0.0008","18.2815","0.0009","11.1221","0.0005","90","","101.222","0.003","90","","3065.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O13 Sm2 -","- C30 H26 O13 Sm2 -","- C120 H104 O52 Sm8 -","4","1","","Gomez, G. E.; Bernini, M. C.; Brusau, E. V.; Narda, G. E.; Vega, D.; Kaczmarek, A. M.; Van Deun, R.; Nazzarro, M.","Layered exfoliable crystalline materials based on Sm-, Eu- and Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3417","3429","10.1039/c4dt02844a","","","1.54178","CuKα","","0.0821","0.0529","","","0.1173","0.1292","","","","","","1.037","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033584","15.132","0.0009","18.0343","0.0013","11.0712","0.0005","90","","100.43","0.005","90","","2971.4","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu2 O13 -","- C30 H26 Eu2 O13 -","- C120 H104 Eu8 O52 -","4","1","","Gomez, G. E.; Bernini, M. C.; Brusau, E. V.; Narda, G. E.; Vega, D.; Kaczmarek, A. M.; Van Deun, R.; Nazzarro, M.","Layered exfoliable crystalline materials based on Sm-, Eu- and Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3417","3429","10.1039/c4dt02844a","","","0.71073","MoKα","","0.0893","0.0565","","","0.1034","0.1163","","","","","","1.067","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033585","15.3112","0.0007","18.1174","0.0006","11.0982","0.0005","90","","100.778","0.005","90","","3024.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu Gd O13 -","- C30 H26 Eu Gd O13 -","- C120 H104 Eu4 Gd4 O52 -","4","1","","Gomez, G. E.; Bernini, M. C.; Brusau, E. V.; Narda, G. E.; Vega, D.; Kaczmarek, A. M.; Van Deun, R.; Nazzarro, M.","Layered exfoliable crystalline materials based on Sm-, Eu- and Eu/Gd-2-phenylsuccinate frameworks. Crystal structure, topology and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3417","3429","10.1039/c4dt02844a","","","0.71073","MoKα","","0.0689","0.0583","","","0.15","0.1583","","","","","","1.154","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033586","12.093","0.002","15.652","0.003","13.128","0.003","90","","107.02","0.03","90","","2376","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 Cl2 O2 P4 Pd2 -","- C38 H72 Cl2 O2 P4 Pd2 -","- C76 H144 Cl4 O4 P8 Pd4 -","2","0.5","","Figueira, João; Czardybon, Wojciech; Mesquita, José Carlos; Rodrigues, João; Lahoz, Fernando; Russo, Luca; Valkonen, Arto; Rissanen, Kari","Synthesis, characterization and solid-state photoluminescence studies of six alkoxy phenylene ethynylene dinuclear palladium(ii) rods.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4003","4015","10.1039/c4dt00493k","","","0.71073","MoKα","","0.1425","0.0709","","","0.0814","0.1003","","","","","","1.063","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033587","13.4614","0.0003","11.7059","0.0003","18.7397","0.0004","90","","103.705","0.001","90","","2868.89","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 Cl2 O2 P4 Pd2 -","- C54 H80 Cl2 O2 P4 Pd2 -","- C108 H160 Cl4 O4 P8 Pd4 -","2","0.5","","Figueira, João; Czardybon, Wojciech; Mesquita, José Carlos; Rodrigues, João; Lahoz, Fernando; Russo, Luca; Valkonen, Arto; Rissanen, Kari","Synthesis, characterization and solid-state photoluminescence studies of six alkoxy phenylene ethynylene dinuclear palladium(ii) rods.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4003","4015","10.1039/c4dt00493k","","","0.71073","MoKα","","0.0765","0.0591","","","0.1343","0.1461","","","","","","1.055","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033588","7.767","0.004","9.67","0.005","19.707","0.01","90","","98.545","0.01","90","","1463.7","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O Zn -","- C16 H11 Cl N2 O Zn -","- C64 H44 Cl4 N8 O4 Zn4 -","4","1","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0858","0.06","","","0.1823","0.2075","","","","","","1.056","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033589","7.449","0.0008","10.1689","0.0011","20.082","0.002","90","","96.345","0.002","90","","1511.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 I N2 O Zn -","- C16 H11 I N2 O Zn -","- C64 H44 I4 N8 O4 Zn4 -","4","1","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0568","0.0392","","","0.1095","0.1193","","","","","","1.059","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033590","23.908","0.004","11.297","0.0017","16.294","0.002","90","","130.487","0.002","90","","3347.1","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Br2 N4 O3 Zn2 -","- C36 H22 Br2 N4 O3 Zn2 -","- C144 H88 Br8 N16 O12 Zn8 -","4","0.5","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0575","0.0358","","","0.0872","0.0983","","","","","","1.018","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033591","8.07","0.0009","9.9439","0.0011","20.676","0.002","90","","96.206","0.002","90","","1649.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N2 O3 -","- C18 H14 Cd N2 O3 -","- C72 H56 Cd4 N8 O12 -","4","1","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0359","0.0259","","","0.0607","0.0648","","","","","","1.087","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033592","8.0362","0.0017","9.919","0.002","21.302","0.004","90","","105.484","0.007","90","","1636.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cd N3 O4 -","- C16 H11 Cd N3 O4 -","- C64 H44 Cd4 N12 O16 -","4","1","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0318","0.0283","","","0.0705","0.0727","","","","","","1.106","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033593","8.8073","0.0006","9.0322","0.0006","10.2851","0.0007","77.764","0.001","79.315","0.001","78.029","0.001","773.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cd I N2 O -","- C16 H11 Cd I N2 O -","- C32 H22 Cd2 I2 N4 O2 -","2","1","","Zhang, Liyan; Rong, Lulu; Hu, Guoli; Jin, Suo; Jia, Wei-Guo; Liu, Ji; Yuan, Guozan","Six Zn(ii) and Cd(ii) coordination polymers assembled from a similar binuclear building unit: tunable structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6731","6739","10.1039/c4dt03660c","","","0.71073","MoKα","","0.0278","0.0259","","","0.0627","0.0643","","","","","","1.084","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033594","11.065","0.002","37.753","0.006","13.197","0.003","90","","114.701","0.006","90","","5008.5","1.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl4 Ir2 N4 O4 -","- C53 H42 Cl4 Ir2 N4 O4 -","- C212 H168 Cl16 Ir8 N16 O16 -","4","1","","Wong, Michael Y.; Xie, Guohua; Tourbillon, Clarisse; Sandroni, Martina; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Formylated chloro-bridged iridium(iii) dimers as OLED materials: opening up new possibilities.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8419","8432","10.1039/c4dt03127j","","","0.71075","MoKα","","0.0499","0.04","","","0.1045","0.1076","","","","","","1.007","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033595","11.0995","0.0019","20.038","0.003","29.679","0.005","90","","99.998","0.004","90","","6500.7","1.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl2 Ir2 N4 O4 -","- C52 H40 Cl2 Ir2 N4 O4 -","- C208 H160 Cl8 Ir8 N16 O16 -","4","1","","Wong, Michael Y.; Xie, Guohua; Tourbillon, Clarisse; Sandroni, Martina; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Formylated chloro-bridged iridium(iii) dimers as OLED materials: opening up new possibilities.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8419","8432","10.1039/c4dt03127j","","","0.71075","MoKα","","0.1555","0.1243","","","0.3092","0.3223","","","","","","1.174","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033596","22.9927","0.0011","11.5838","0.0005","38.737","0.0018","90","","97.2195","0.0013","90","","10235.5","0.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Cl6 Ir2 N4 O8 -","- C54 H36 Cl6 Ir2 N4 O8 -","- C432 H288 Cl48 Ir16 N32 O64 -","8","2","","Wong, Michael Y.; Xie, Guohua; Tourbillon, Clarisse; Sandroni, Martina; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Formylated chloro-bridged iridium(iii) dimers as OLED materials: opening up new possibilities.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8419","8432","10.1039/c4dt03127j","","","0.71075","MoKα","","0.0443","0.0367","","","0.0997","0.1034","","","","","","1.022","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033597","11.8","0.003","24.431","0.006","19.925","0.005","90","","97.874","0.006","90","","5690","2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 Cl2 Ir2 N4 O8 -","- C52 H32 Cl2 Ir2 N4 O8 -","- C208 H128 Cl8 Ir8 N16 O32 -","4","1","","Wong, Michael Y.; Xie, Guohua; Tourbillon, Clarisse; Sandroni, Martina; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Formylated chloro-bridged iridium(iii) dimers as OLED materials: opening up new possibilities.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8419","8432","10.1039/c4dt03127j","","","1.54187","CuKα","","0.1941","0.1313","","","0.3365","0.3816","","","","","","0.98","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033598","11.156","0.002","13.348","0.002","13.958","0.002","71.583","0.002","78.316","0.002","78.366","0.002","1909.9","0.5","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H76 Cl2 Mn4 N8 O22 P2 -","- C76 H76 Cl2 Mn4 N8 O22 P2 -","- C76 H76 Cl2 Mn4 N8 O22 P2 -","1","0.5","","Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Cai, Zhong-Sheng; Liu, Bin; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min","The O-P-O bridged Mn2(salen)2 chains showing coexistence of single chain magnet and metamagnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4271","4279","10.1039/c4dt03888f","","","0.71073","MoKα","","0.0486","0.039","","","0.1063","0.1125","","","","","","1.09","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7033599","10.3834","0.0014","13.5318","0.0018","14.655","0.002","99.066","0.002","109.949","0.003","100.997","0.002","1843.9","0.4","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl Mn2 N4 O11 P -","- C38 H34 Cl Mn2 N4 O11 P -","- C76 H68 Cl2 Mn4 N8 O22 P2 -","2","1","","Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Cai, Zhong-Sheng; Liu, Bin; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min","The O-P-O bridged Mn2(salen)2 chains showing coexistence of single chain magnet and metamagnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4271","4279","10.1039/c4dt03888f","","","0.71073","MoKα","","0.0569","0.0443","","","0.1026","0.1068","","","","","","0.954","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7033600","10.2082","0.0011","13.4812","0.0015","14.5141","0.0016","99.069","0.001","109.36","0.001","100.43","0.001","1801.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H68 Cl2 Mn4 N8 O20 P2 -","- C76 H68 Cl2 Mn4 N8 O20 P2 -","- C76 H68 Cl2 Mn4 N8 O20 P2 -","1","0.5","","Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Cai, Zhong-Sheng; Liu, Bin; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min","The O-P-O bridged Mn2(salen)2 chains showing coexistence of single chain magnet and metamagnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4271","4279","10.1039/c4dt03888f","","","0.71073","MoKα","","0.0605","0.0387","","","0.0774","0.0878","","","","","","1.001","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033601","11.2802","0.0002","17.2895","0.0004","11.0838","0.0002","90","","102.239","0.001","90","","2112.53","0.07","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F3 N5 Pt -","- C24 H18 F3 N5 Pt -","- C96 H72 F12 N20 Pt4 -","4","1","","Naziruddin, Abbas Raja; Galstyan, Anzhela; Iordache, Adriana; Daniliuc, Constantin G.; Strassert, Cristian A.; De Cola, Luisa","Bidentate NHC^pyrozolate ligands in luminescent platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8467","8477","10.1039/c4dt03651d","","","0.71073","MoKα","","0.0637","0.0601","","","0.153","0.161","","","","","","1.11","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033602","10.3649","0.0002","11.2201","0.0003","11.869","0.0003","72.144","0.002","73.342","0.002","77.339","0.001","1245.57","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 F9 N5 Pt -","- C26 H16 F9 N5 Pt -","- C52 H32 F18 N10 Pt2 -","2","1","","Naziruddin, Abbas Raja; Galstyan, Anzhela; Iordache, Adriana; Daniliuc, Constantin G.; Strassert, Cristian A.; De Cola, Luisa","Bidentate NHC^pyrozolate ligands in luminescent platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8467","8477","10.1039/c4dt03651d","","","0.71073","MoKα","","0.0211","0.0205","","","0.052","0.0528","","","","","","1.088","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033603","7.5972","0.0001","22.2707","0.0004","15.781","0.0004","90","","102.385","0.001","90","","2607.93","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F9 N5 Pt -","- C26 H16 F9 N5 Pt -","- C104 H64 F36 N20 Pt4 -","4","1","","Naziruddin, Abbas Raja; Galstyan, Anzhela; Iordache, Adriana; Daniliuc, Constantin G.; Strassert, Cristian A.; De Cola, Luisa","Bidentate NHC^pyrozolate ligands in luminescent platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8467","8477","10.1039/c4dt03651d","","","0.71073","MoKα","","0.0303","0.0283","","","0.0711","0.0729","","","","","","1.09","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033604","25.434","0.007","13.976","0.004","17.825","0.005","90","","99.875","0.005","90","","6242","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N2 O7 Zn -","- C32 H24 N2 O7 Zn -","- C256 H192 N16 O56 Zn8 -","8","1","","Zhang, Chuan-Lei; Qin, Ling; Shi, Zhen-Zhen; Zheng, He-Gen","Diverse structures of metal-organic frameworks based on different metal ions: luminescence and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4238","4245","10.1039/c4dt03627a","","","0.71073","MoKα","","0.0594","0.0411","","","0.1015","0.1068","","","","","","1.005","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033605","25.316","0.0017","13.9919","0.001","17.8674","0.0012","90","","100.355","0.001","90","","6225.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Co N2 O7 -","- C32 H24 Co N2 O7 -","- C256 H192 Co8 N16 O56 -","8","1","","Zhang, Chuan-Lei; Qin, Ling; Shi, Zhen-Zhen; Zheng, He-Gen","Diverse structures of metal-organic frameworks based on different metal ions: luminescence and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4238","4245","10.1039/c4dt03627a","","","0.71073","MoKα","","0.0488","0.0379","","","0.1082","0.1141","","","","","","1.047","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033606","9.317","0.003","12.722","0.004","15.451","0.004","108.632","0.004","97.755","0.004","91.789","0.004","1714.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cd N2 O7 -","- C32 H24 Cd N2 O7 -","- C64 H48 Cd2 N4 O14 -","2","1","","Zhang, Chuan-Lei; Qin, Ling; Shi, Zhen-Zhen; Zheng, He-Gen","Diverse structures of metal-organic frameworks based on different metal ions: luminescence and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4238","4245","10.1039/c4dt03627a","","","0.71073","MoKα","","0.1","0.084","","","0.2166","0.2269","","","","","","1.002","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033607","11.5007","0.0011","11.7623","0.0011","13.8198","0.0013","70.835","0.001","65.694","0.001","76.993","0.001","1600.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 N3 Ni O9 -","- C35 H31 N3 Ni O9 -","- C70 H62 N6 Ni2 O18 -","2","1","","Zhang, Chuan-Lei; Qin, Ling; Shi, Zhen-Zhen; Zheng, He-Gen","Diverse structures of metal-organic frameworks based on different metal ions: luminescence and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4238","4245","10.1039/c4dt03627a","","","0.71073","MoKα","","0.0608","0.0517","","","0.1559","0.1642","","","","","","1.016","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033608","23.474","0.003","23.474","0.003","6.6926","0.0009","90","","90","","90","","3687.8","0.8","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","InPCF-1","","- C14 H11 In O10 P -","- C14 H11 In O10 P -","- C112 H88 In8 O80 P8 -","8","0.5","","Dan, Wenyan; Liu, Xiaofeng; Deng, Mingli; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","A highly stable indium phosphonocarboxylate framework as a multifunctional sensor for Cu(2+) and methylviologen ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3794","3800","10.1039/c4dt03502j","","","0.71073","MoKα","","0.072","0.0462","","","0.1175","0.1432","","","","","","1.175","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033609","14.4293","0.0007","14.5421","0.0009","14.7018","0.0008","111.061","0.005","104.181","0.004","107.967","0.005","2508.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H100 Dy4 N12 O33.96 -","- C88 H100 Dy4 N12 O33.96 -","- C88 H100 Dy4 N12 O33.96 -","1","0.5","","Luan, Fang; Yan, Pengfei; Zhu, Jing; Liu, Tianqi; Zou, Xiaoyan; Li, Guangming","A salen-type Dy4 single-molecule magnet with an enhanced energy barrier and its analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4046","4053","10.1039/c4dt02607a","","","0.71073","MoKα","","0.0516","0.0351","","","0.0819","0.093","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033610","14.4379","0.0007","14.562","0.0005","14.7018","0.0007","110.979","0.004","104.156","0.004","107.975","0.004","2516.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H100 N12 O33.96 Tb4 -","- C88 H100 N12 O33.96 Tb4 -","- C88 H100 N12 O33.96 Tb4 -","1","0.5","","Luan, Fang; Yan, Pengfei; Zhu, Jing; Liu, Tianqi; Zou, Xiaoyan; Li, Guangming","A salen-type Dy4 single-molecule magnet with an enhanced energy barrier and its analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4046","4053","10.1039/c4dt02607a","","","0.71073","MoKα","","0.0473","0.0328","","","0.082","0.0918","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033611","14.4145","0.0006","14.5348","0.0008","14.6776","0.0008","111.197","0.005","104.067","0.004","107.837","0.004","2503","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H100 Ho4 N12 O33.96 -","- C88 H100 Ho4 N12 O33.96 -","- C88 H100 Ho4 N12 O33.96 -","1","0.5","","Luan, Fang; Yan, Pengfei; Zhu, Jing; Liu, Tianqi; Zou, Xiaoyan; Li, Guangming","A salen-type Dy4 single-molecule magnet with an enhanced energy barrier and its analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4046","4053","10.1039/c4dt02607a","","","0.71073","MoKα","","0.0546","0.037","","","0.0865","0.0995","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033612","14.4223","0.0009","14.5202","0.0009","14.6662","0.0008","111.232","0.005","104.018","0.005","107.831","0.005","2500.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H100 Er4 N12 O33.96 -","- C88 H100 Er4 N12 O33.96 -","- C88 H100 Er4 N12 O33.96 -","1","0.5","","Luan, Fang; Yan, Pengfei; Zhu, Jing; Liu, Tianqi; Zou, Xiaoyan; Li, Guangming","A salen-type Dy4 single-molecule magnet with an enhanced energy barrier and its analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4046","4053","10.1039/c4dt02607a","","","0.71073","MoKα","","0.0506","0.0353","","","0.0829","0.0938","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033613","31.9069","0.0003","15.0731","0.0002","20.8035","0.0002","90","","125.47","0.0006","90","","8148.4","0.17","200","","200","","","","","","","","from U of Wollongong","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 N4 Ni O5 S -","- C44 H54 N4 Ni O5 S -","- C352 H432 N32 Ni8 O40 S8 -","8","1","","Davis, Kimberley J.; Richardson, Christopher; Beck, Jennifer L.; Knowles, Brett M.; Guédin, Aurore; Mergny, Jean-Louis; Willis, Anthony C.; Ralph, Stephen F.","Synthesis and characterisation of nickel Schiff base complexes containing the meso-1,2-diphenylethylenediamine moiety: selective interactions with a tetramolecular DNA quadruplex.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3136","3150","10.1039/c4dt02926g","","","0.71073","MoKα","","0.0497","0.0409","","0.1121","0.1027","0.1121","","","","","","0.9815","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033614","20.0562","0.0007","10.1772","0.0002","22.9552","0.0007","90","","112.409","0.0013","90","","4331.7","0.2","200","","200","","","","","","","","from U of Wollongong","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N4 Ni O4 -","- C44 H52 N4 Ni O4 -","- C176 H208 N16 Ni4 O16 -","4","1","","Davis, Kimberley J.; Richardson, Christopher; Beck, Jennifer L.; Knowles, Brett M.; Guédin, Aurore; Mergny, Jean-Louis; Willis, Anthony C.; Ralph, Stephen F.","Synthesis and characterisation of nickel Schiff base complexes containing the meso-1,2-diphenylethylenediamine moiety: selective interactions with a tetramolecular DNA quadruplex.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3136","3150","10.1039/c4dt02926g","","","0.71073","MoKα","","0.0854","0.0508","","0.1475","0.1275","0.1475","","","","","","0.9693","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033615","8.3098","0.0001","28.7045","0.0006","10.4088","0.0002","90","","91.0868","0.0012","90","","2482.35","0.08","200","","200","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 Ni O6 -","- C28 H26 N2 Ni O6 -","- C112 H104 N8 Ni4 O24 -","4","1","","Davis, Kimberley J.; Richardson, Christopher; Beck, Jennifer L.; Knowles, Brett M.; Guédin, Aurore; Mergny, Jean-Louis; Willis, Anthony C.; Ralph, Stephen F.","Synthesis and characterisation of nickel Schiff base complexes containing the meso-1,2-diphenylethylenediamine moiety: selective interactions with a tetramolecular DNA quadruplex.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3136","3150","10.1039/c4dt02926g","","","0.71073","MoKα","","0.048","0.0361","","0.0933","0.088","0.0933","","","","","","1.0147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033616","9.4042","0.0003","32.3818","0.0012","17.4083","0.0006","90","","95.707","0.002","90","","5275","0.3","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 N2 O Pt2 Ru2 S4 -","- C58 H64 N2 O Pt2 Ru2 S4 -","- C232 H256 N8 O4 Pt8 Ru8 S16 -","4","1","","Sesolis, Hugo; Moussa, Jamal; Gontard, Geoffrey; Jutand, Anny; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","A unique class of neutral cyclometalated platinum(ii) complexes with π-bonded benzenedithiolate: synthesis, molecular structures and tuning of luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2973","2977","10.1039/c4dt03962a","","","1.54178","CuKα","","0.0403","0.0279","","","0.0592","0.0627","","","","","","1.051","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033617","7.9705","0.0002","12.8005","0.0003","23.7135","0.0005","90","","96.871","0.001","90","","2402.03","0.1","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 F2 N Pt Ru S2 -","- C27 H25 F2 N Pt Ru S2 -","- C108 H100 F8 N4 Pt4 Ru4 S8 -","4","1","","Sesolis, Hugo; Moussa, Jamal; Gontard, Geoffrey; Jutand, Anny; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","A unique class of neutral cyclometalated platinum(ii) complexes with π-bonded benzenedithiolate: synthesis, molecular structures and tuning of luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2973","2977","10.1039/c4dt03962a","","","0.71073","MoKα","","0.037","0.0331","","","0.0759","0.0849","","","","","","1.289","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033618","16.5229","0.0017","10.901","0.0011","22.038","0.002","90","","105.871","0.002","90","","3818.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[2,2-(2-C2H4)(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (2)","","- C42 H51 B8 O3 P2 Rh S -","- C38 H41 B8 P2 Rh S -","- C152 H164 B32 P8 Rh4 S4 -","4","1","","Luaces, Susana; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.","Rhodathiaborane reaction cycles driven by C2H4 and H2: synthesis and characterization of [(H)2(PPh3)RhSB8H7(PPh3)] and [(η(2)-C2H4)(PPh3)RhSB8H7(PPh3)].","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5041","5044","10.1039/c4dt03677h","","","0.71073","MoKα","","0.0885","0.0633","","","0.1052","0.1136","","","","","","1.149","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033619","11.14","0.002","11.537","0.002","16.129","0.003","84.356","0.002","76.622","0.002","65.16","0.002","1830.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2,2,2-(H)2(PPh3)-6-(PPh3)-closo-2,1-RhSB8H7] (3)","","- C36 H39 B8 P2 Rh S -","- C36 H39 B8 P2 Rh S -","- C72 H78 B16 P4 Rh2 S2 -","2","1","","Luaces, Susana; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.","Rhodathiaborane reaction cycles driven by C2H4 and H2: synthesis and characterization of [(H)2(PPh3)RhSB8H7(PPh3)] and [(η(2)-C2H4)(PPh3)RhSB8H7(PPh3)].","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5041","5044","10.1039/c4dt03677h","","","0.71073","MoKα","","0.0832","0.0634","","","0.0988","0.1047","","","","","","1.159","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033620","21.808","0.003","20.261","0.003","22.172","0.003","90","","90","","90","","9797","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14131b","[Et4N][W(CO)3(PhBP3)]","","- C56 H61 B N O3 P3 W -","- C56 H61 B N O3 P3 W -","- C448 H488 B8 N8 O24 P24 W8 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0475","0.0305","","","0.0665","0.0738","","","","","","1.034","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033621","21.795","0.002","20.281","0.002","22.166","0.002","90","","90","","90","","9797.9","1.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14132a","[Et4N][Mo(CO)3(PhBP3)]","","- C56 H61 B Mo N O3 P3 -","- C56 H61 B Mo N O3 P3 -","- C448 H488 B8 Mo8 N8 O24 P24 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0481","0.0326","","","0.0711","0.079","","","","","","1.031","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033622","12.2758","0.0011","33.375","0.003","14.501","0.0013","90","","92.09","0.001","90","","5937.2","0.9","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","14143zzz","[Et4N][W(CO)3{6-(PhBP3)Mo(CO)3}]","","- C63 H69 B Mo N O7 P3 W -","- C59 H61 B Mo N O6 P3 W -","- C236 H244 B4 Mo4 N4 O24 P12 W4 -","4","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0449","0.0338","","","0.0799","0.0837","","","","","","1.08","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033623","12.0742","0.0011","13.3231","0.0012","17.7935","0.0016","90","","108.128","0.001","90","","2720.3","0.4","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","14145a","[Et4N][W(CO)3{6-(PhBP3)W(CO)3}]","","- C59 H61 B N O6 P3 W2 -","- C59 H61 B N O6 P3 W2 -","- C118 H122 B2 N2 O12 P6 W4 -","2","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.039","0.0323","","","0.0657","0.0685","","","","","","1.04","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033624","21.68","0.002","20.2863","0.0019","21.999","0.002","90","","90","","90","","9675.3","1.5","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14158a","[Et4N][Cr(CO)3(PhBP3)]","","- C56 H61 B Cr N O3 P3 -","- C56 H61 B Cr N O3 P3 -","- C448 H488 B8 Cr8 N8 O24 P24 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0862","0.0475","","","0.0943","0.1117","","","","","","1.017","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033625","21.363","0.003","9.8951","0.0015","24.197","0.004","90","","110.36","0.002","90","","4795.4","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","14160a","Mn(CO)3(PhBP3)","","- C56 H57 B Mn O5 P3 -","- C56 H57 B Mn O5 P3 -","- C224 H228 B4 Mn4 O20 P12 -","4","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0576","0.0402","","","0.0947","0.1044","","","","","","1.019","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033626","13.9914","0.0017","22.205","0.003","18.059","0.002","90","","91.07","0.001","90","","5609.6","1.2","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","14161a","[Et4N][Cr(CO)3{6-(PhBP3)Cr(CO)3}]","","- C61 H66 B Cr2 N O6.5 P3 -","- C61 H66 B Cr2 N O6.5 P3 -","- C244 H264 B4 Cr8 N4 O26 P12 -","4","2","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0345","0.0307","","","0.0759","0.0781","","","","","","1.021","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033627","12.2709","0.0017","33.329","0.005","14.548","0.002","90","","92.4969","0.0018","90","","5944.1","1.5","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","14167aaa","[Et4N][Cr(CO)3{6-(PhBP3)Mo(CO)3}]","","- C63 H69 B Cr Mo N O7 P3 -","- C59 H61 B Cr Mo N O6 P3 -","- C236 H244 B4 Cr4 Mo4 N4 O24 P12 -","4","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0697","0.0477","","","0.12","0.1291","","","","","","1.052","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033628","14.1281","0.0019","23.778","0.003","17.324","0.002","90","","90.66","0.002","90","","5819.4","1.3","123","2","123","2","","","","","","","","8","P 1 21 1","P 2yb","4","14169d","[Et4N][W(CO)3{6-(PhBP3)W(CO)3}]","","- C59 H61 B Cr N O6 P3 W -","- C59 H61 B Cr N O6 P3 W -","- C236 H244 B4 Cr4 N4 O24 P12 W4 -","4","2","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0389","0.035","","","0.0834","0.0853","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033629","12.9471","0.0011","25.023","0.002","17.8217","0.0015","90","","110.161","0.001","90","","5420","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","14175b","W(CO)3{6-(PhBP3)Mn(CO)3}","","- C51 H41 B Mn O6 P3 W -","- C51 H41 B Mn O6 P3 W -","- C204 H164 B4 Mn4 O24 P12 W4 -","4","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0435","0.0383","","","0.0788","0.0803","","","","","","1.139","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033630","13.0955","0.0015","16.48","0.0019","22.95","0.003","90","","92.913","0.002","90","","4946.5","1","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","14176c","Cr(CO)3{6-(PhBP3)Mn(CO)3}","","- C55 H51 B Cr Mn O7 P3 -","- C51 H41 B Cr Mn O6 P3 -","- C204 H164 B4 Cr4 Mn4 O24 P12 -","4","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0492","0.0384","","","0.0987","0.104","","","","","","1.11","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033631","23.551","0.019","13.683","0.011","27.38","0.02","90","","99.212","0.014","90","","8709","12","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","[V2(PS3)2(mu-Se2)(mu-Se)][PPh4]2","","","- C91 H72 N3 O0.25 P4 S6 Se3 V2 -","- C91 H72 N3 O0.25 P4 S6 Se3 V2 -","- C364 H288 N12 O P16 S24 Se12 V8 -","4","1","","Wu, Hong-Ming; Chang, Ya-Ho; Tsai, Yi-Fang; Hsu, Kuei-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Non-oxido divanadium(iv) and divanadium(v) thiolate complexes with a new type of chalcogenide bridging motif.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4468","4473","10.1039/c4dt03934c","","","0.71073","MoKα","","0.1348","0.0578","","","0.132","0.184","","","","","","1.035","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033632","18.842","0.002","12.4528","0.0014","20.766","0.002","90","","104.691","0.002","90","","4713.2","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[V2(PS3)2(mu-S2)(mu-S)]","","","- C44.4 H35 N2 O P2 S9 V2 -","- C44.4 H35 N2 O P2 S9 V2 -","- C177.6 H140 N8 O4 P8 S36 V8 -","4","1","","Wu, Hong-Ming; Chang, Ya-Ho; Tsai, Yi-Fang; Hsu, Kuei-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Non-oxido divanadium(iv) and divanadium(v) thiolate complexes with a new type of chalcogenide bridging motif.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4468","4473","10.1039/c4dt03934c","","","0.71073","MoKα","","0.0587","0.0436","","","0.1168","0.1287","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033633","15.43","0.002","15.527","0.002","17.671","0.002","80.054","0.002","69.489","0.002","77.016","0.002","3843.3","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","[V2(PS3"")2(mu-Se2)(mu-Se)]","","","- C57.4 H72 O0.85 P2 S6 Se3 Si6 V2 -","- C57.4 H72 O0.85 P2 S6 Se3 Si6 V2 -","- C114.8 H144 O1.7 P4 S12 Se6 Si12 V4 -","2","1","","Wu, Hong-Ming; Chang, Ya-Ho; Tsai, Yi-Fang; Hsu, Kuei-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Non-oxido divanadium(iv) and divanadium(v) thiolate complexes with a new type of chalcogenide bridging motif.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4468","4473","10.1039/c4dt03934c","","","0.71073","MoKα","","0.1733","0.0659","","","0.1654","0.2082","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033634","14.3175","0.0005","16.3327","0.0006","19.5112","0.0007","81.827","0.002","88.006","0.002","64.137","0.002","4062","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[V2(PS3"")2(mu-S2)(mu-S)]","","","- C63.5 H95 O4 P2 S9 Si6 V2 -","- C63.5 H95 O4 P2 S9 Si6 V2 -","- C127 H190 O8 P4 S18 Si12 V4 -","2","1","","Wu, Hong-Ming; Chang, Ya-Ho; Tsai, Yi-Fang; Hsu, Kuei-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Non-oxido divanadium(iv) and divanadium(v) thiolate complexes with a new type of chalcogenide bridging motif.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4468","4473","10.1039/c4dt03934c","","","0.71073","MoKα","","0.0981","0.0621","","","0.1731","0.1962","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033635","6.4659","0.0004","8.9964","0.0006","18.8357","0.0012","90","","99.542","0.001","90","","1080.51","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Et2NH2DNT","","","- C6 H12 N6 O4 -","- C6 H12 N6 O4 -","- C24 H48 N24 O16 -","4","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0385","0.0318","","","0.0795","0.0842","","","","","","1.034","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033636","7.0842","0.0005","9.3195","0.0006","19.3391","0.0013","90","","100.311","0.0011","90","","1256.17","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Et3NHDNT","","","- C8 H16 N6 O4 -","- C8 H16 N6 O4 -","- C32 H64 N24 O16 -","4","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0508","0.0397","","","0.0959","0.1022","","","","","","1.042","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033637","10.9099","0.0007","11.9031","0.0008","14.4603","0.001","112.613","0.0008","90.061","0.0009","103.578","0.0009","1676.28","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PPNDNT","","","- C38 H30 N6 O4 P2 -","- C38 H30 N6 O4 P2 -","- C76 H60 N12 O8 P4 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0635","0.0463","","","0.115","0.1273","","","","","","1.025","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033638","13.9051","0.0006","26.2532","0.0012","6.3689","0.0003","90","","111.948","0.0007","90","","2156.48","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PyrDNT","","","- C7 H8 N6 O5 -","- C7 H8 N6 O5 -","- C56 H64 N48 O40 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0425","0.0345","","","0.0974","0.1042","","","","","","1.064","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033639","8.3235","0.0007","16.7996","0.0014","12.3068","0.001","90","","102.325","0.0013","90","","1681.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 N8 O4 -","- C3 H6 N8 O4 -","- C24 H48 N64 O32 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0486","0.042","","","0.1147","0.1189","","","","","","1.075","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033640","11.2261","0.0005","15.0086","0.0007","13.8078","0.0006","90","","95.041","0.001","90","","2317.45","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraphenylphosphonium 3,5-dinitro-1,2,4 triazolate","","","- C26 H20 N5 O4 P -","- C26 H20 N5 O4 P -","- C104 H80 N20 O16 P4 -","4","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0557","0.0373","","","0.0837","0.0923","","","","","","1.01","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033641","7.3101","0.0009","8.1876","0.001","9.947","0.0012","73.347","0.003","73.673","0.002","77.13","0.003","540.79","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Et2NH2 DNT","","","- C6 H12 N6 O4 -","- C6 H12 N6 O4 -","- C12 H24 N12 O8 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","1.54178","CuKα","","0.0292","0.0267","","","0.0671","0.0689","","","","","","1.029","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033642","9.0616","0.0003","16.2452","0.0005","6.5935","0.0002","90","","110.189","0.003","90","","910.98","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aminoguanidinium DNT","","","- C3 H7 N9 O4 -","- C3 H7 N9 O4 -","- C12 H28 N36 O16 -","4","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","1.54178","CuKα","","0.0884","0.079","","","0.2765","0.2846","","","","","","1.22","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033643","6.1515","0.0003","17.1906","0.001","9.8599","0.0005","90","","92.63","0.001","90","","1041.57","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N6 O4 -","- C6 H12 N6 O4 -","- C24 H48 N24 O16 -","4","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Synthesis and structural characterization of 3,5-dinitro-1,2,4-triazolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2978","2988","10.1039/c4dt03583f","","","0.71073","MoKα","","0.0455","0.0406","","","0.1086","0.112","","","","","","1.096","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033644","11.954","0.002","11.402","0.002","29.319","0.005","90","","92.926","0.003","90","","3991","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 B2 F4 N4 O4 -","- C43 H45 B2 F4 N4 O4 -","- C172 H180 B8 F16 N16 O16 -","4","1","","Dvivedi, Avanish; Rajakannu, Palanisamy; Ravikanth, Mangalampalli","meso-Salicylaldehyde substituted BODIPY as a chemodosimetric sensor for cyanide anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4054","4062","10.1039/c4dt03568b","","","0.71075","MoKα","","0.0516","0.0489","","","0.113","0.1149","","","","","","1.125","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033645","11.6966","0.0007","10.4541","0.0004","19.4795","0.0015","90","","93.697","0.006","90","","2376.9","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl10 N4 O6 Re2 -","- C38 H38 Cl10 N4 O6 Re2 -","- C76 H76 Cl20 N8 O12 Re4 -","2","1","","Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming","A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4180","4185","10.1039/c4dt03884c","","","0.71073","MoKα","","0.0907","0.0725","","","0.1754","0.1888","","","","","","1.069","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033646","11.6986","0.0003","10.4365","0.0003","19.3757","0.0006","90","","93.659","0.003","90","","2360.8","0.12","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl10 N4 O6 Re2 -","- C38 H38 Cl10 N4 O6 Re2 -","- C76 H76 Cl20 N8 O12 Re4 -","2","1","","Li, Xi-Li; Zhang, Zhiqiang; Zhang, Xue-Li; Kang, Jia-Long; Wang, Ai-Ling; Zhou, Liming; Fang, Shaoming","A pair of dinuclear Re(i) enantiomers: synthesis, crystal structures, chiroptical and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4180","4185","10.1039/c4dt03884c","","","0.71073","MoKα","","0.064","0.0522","","","0.1281","0.1355","","","","","","1.029","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033647","23.253","0.005","14.024","0.003","23.455","0.005","90","","107.68","0.03","90","","7287","3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-imidazolo-cerium-tri-imidazolate","{(mue-1,2)-tri-imidazolato-imidazolo- cerium(III)}-imidazole","","- C15 H17 Ce N10 -","- C15 H17 Ce N10 -","- C240 H272 Ce16 N160 -","16","4","","Meyer, L. V.; Schönfeld, F; Zurawski, A.; Mai, M.; Feldmann, C.; Müller-Buschbaum, K","A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2 and CH2Cl2, MeCN: [Ce(Im)3ImH]·ImH.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4070","4079","10.1039/c4dt03578j","","","0.71073","MoKα","","0.0529","0.0436","","","0.1129","0.1167","","","","","","1.042","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033648","11.9793","0.0008","13.0047","0.0009","14.3277","0.001","107.536","0.001","109.969","0.001","92.513","0.001","1973.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H78 N2 O20 Se2 Te4 -","- C80 H78 N2 O20 Se2 Te4 -","- C80 H78 N2 O20 Se2 Te4 -","1","0.5","","Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan","Te4Se2O6 macrocycle stabilizing triangular planar and tetrahedral anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4554","4559","10.1039/c4dt03911d","","","0.71073","MoKα","","0.0208","0.0198","","","0.0493","0.0498","","","","","","1.091","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033649","12.2163","0.0011","14.8089","0.0013","15.9691","0.0014","71.395","0.001","70.113","0.001","82.358","0.001","2573.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H84 Cl2 O22 Se2 Te4 -","- C86 H84 Cl2 O22 Se2 Te4 -","- C86 H84 Cl2 O22 Se2 Te4 -","1","0.5","","Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan","Te4Se2O6 macrocycle stabilizing triangular planar and tetrahedral anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4554","4559","10.1039/c4dt03911d","","","0.71073","MoKα","","0.0293","0.0275","","","0.073","0.074","","","","","","1.035","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033650","12.1225","0.0009","14.7726","0.0011","15.9277","0.0012","71.234","0.001","70.079","0.001","82.416","0.001","2538.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H84 B2 F8 O14 Se2 Te4 -","- C86 H84 B2 F8 O14 Se2 Te4 -","- C86 H84 B2 F8 O14 Se2 Te4 -","1","0.5","","Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan","Te4Se2O6 macrocycle stabilizing triangular planar and tetrahedral anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4554","4559","10.1039/c4dt03911d","","","0.71073","MoKα","","0.021","0.0196","","","0.05","0.0506","","","","","","1.028","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033651","9.309","0.0018","13.941","0.003","20.73","0.004","90","","98.909","0.002","90","","2657.8","0.9","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25.5 Fe2 N2 O6.5 S -","- C26.5 H25.5 Fe2 N2 O6.5 S -","- C106 H102 Fe8 N8 O26 S4 -","4","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0495","0.0379","","","0.0753","0.0812","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033652","8.9068","0.0006","10.9384","0.0007","11.7013","0.0008","79.877","0.006","78.416","0.006","75.903","0.006","1073.46","0.13","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Fe2 N2 O5 S -","- C22 H18 Fe2 N2 O5 S -","- C44 H36 Fe4 N4 O10 S2 -","2","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0608","0.0389","","","0.0725","0.0794","","","","","","1.03","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033653","10.492","0.002","10.9986","0.0019","12.772","0.002","99.418","0.005","108.249","0.005","91.169","0.003","1376.8","0.4","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H22 Fe2 N O4 P S -","- C31 H22 Fe2 N O4 P S -","- C62 H44 Fe4 N2 O8 P2 S2 -","2","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0372","0.0308","","","0.0695","0.073","","","","","","1.024","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033654","10.059","0.003","10.151","0.003","14.423","0.005","90","","105.43","0.004","90","","1419.6","0.8","133","","133","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N2 O4 P S -","- C29 H29 Fe2 N2 O4 P S -","- C58 H58 Fe4 N4 O8 P2 S2 -","2","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0306","0.0243","","","0.0478","0.0491","","","","","","0.934","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033655","10.108","0.001","13.3094","0.0012","13.6439","0.0012","95.5531","0.0015","100.27","0.0019","107.147","0.002","1703.9","0.3","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Fe2 N O3 P2 S -","- C38 H33 Fe2 N O3 P2 S -","- C76 H66 Fe4 N2 O6 P4 S2 -","2","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0447","0.0338","","","0.0724","0.0776","","","","","","1.039","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033656","11.82","0.0006","17.6223","0.0008","19.9604","0.0012","63.939","0.008","73.464","0.01","69.638","0.01","3458.4","0.4","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H47 Fe N2 O P2 S -","- C37 H47 Fe N2 O P2 S -","- C148 H188 Fe4 N8 O4 P8 S4 -","4","2","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0735","0.0573","","","0.1394","0.1499","","","","","","1.043","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033657","25.4803","0.0016","14.0681","0.0008","21.7716","0.0014","90","","98.0161","0.0017","90","","7728","0.8","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H49 Fe N O3 P2 S -","- C44 H45 Fe N O3 P2 S -","- C352 H360 Fe8 N8 O24 P16 S8 -","8","1","","Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu","Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4155","4166","10.1039/c4dt03422h","","","0.710747","MoKα","","0.0647","0.0502","","","0.1212","0.1301","","","","","","1.106","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033658","19.7916","0.0007","11.6134","0.0003","20.912","0.0007","90","","117.05","0.002","90","","4280.8","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H18 B2 Cl6 N12 O -","- C48 H18 B2 Cl6 N12 O -","- C192 H72 B8 Cl24 N48 O4 -","4","1","","Dang, Jeremy D.; Fulford, Mabel V.; Kamino, Brett A.; Paton, Andrew S.; Bender, Timothy P.","Process for the synthesis of symmetric and unsymmetric oxygen bridged dimers of boron subphthalocyanines (μ-oxo-(BsubPc)2s).","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4280","4288","10.1039/c4dt02624a","","","1.54178","CuKα","","0.0783","0.0549","","","0.12","0.1319","","","","","","1.043","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033659","11.5201","0.0004","18.9039","0.0007","22.5091","0.0009","90","","99.163","0.002","90","","4839.4","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H28 B2 F12 N12 O -","- C55 H28 B2 F12 N12 O -","- C220 H112 B8 F48 N48 O4 -","4","1","","Dang, Jeremy D.; Fulford, Mabel V.; Kamino, Brett A.; Paton, Andrew S.; Bender, Timothy P.","Process for the synthesis of symmetric and unsymmetric oxygen bridged dimers of boron subphthalocyanines (μ-oxo-(BsubPc)2s).","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4280","4288","10.1039/c4dt02624a","","","1.54178","CuKα","","0.076","0.0539","","","0.1395","0.1544","","","","","","1.029","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033660","15.8568","0.0005","25.4155","0.0009","20.1493","0.0008","90","","101.022","0.002","90","","7970.6","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H107 Al4 Li4 N12 O8.5 -","- C73 H107 Al4 Li4 N12 O8.5 -","- C292 H428 Al16 Li16 N48 O34 -","4","1","","Less, Robert J.; Allen, Lucy K.; Steiner, Alexander; Wright, Dominic S.","Multiple deprotonation of primary aromatic diamines by LiAlH4.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4141","4147","10.1039/c4dt03802a","","","0.7107","MoKα","","0.1082","0.067","","","0.1567","0.1814","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033661","21.4696","0.0013","21.4696","0.0013","29.3995","0.0017","90","","90","","90","","13551.5","1.4","180","2","180","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C32 H48 Al Li N8 -","- C32 H48 Al Li N8 -","- C512 H768 Al16 Li16 N128 -","16","0.5","","Less, Robert J.; Allen, Lucy K.; Steiner, Alexander; Wright, Dominic S.","Multiple deprotonation of primary aromatic diamines by LiAlH4.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4141","4147","10.1039/c4dt03802a","","","1.54184","CuKα","","0.1388","0.1034","","","0.2653","0.2892","","","","","","1.003","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033662","34.6994","0.0004","14.6711","0.0002","30.4757","0.0004","90","","120.945","0.001","90","","13306.2","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 Al Li N7 O -","- C33 H47 Al Li N7 O -","- C528 H752 Al16 Li16 N112 O16 -","16","2","","Less, Robert J.; Allen, Lucy K.; Steiner, Alexander; Wright, Dominic S.","Multiple deprotonation of primary aromatic diamines by LiAlH4.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4141","4147","10.1039/c4dt03802a","","","0.7107","MoKα","","0.1269","0.0811","","","0.2375","0.2611","","","","","","1.004","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033663","10.9593","0.0003","11.6409","0.0007","12.2782","0.0007","104.697","0.004","99.497","0.004","109.603","0.003","1372.51","0.13","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 N4 O18 Sr V5 -","- C12 H28 N4 O18 Sr V5 -","- C24 H56 N8 O36 Sr2 V10 -","2","1","","Schwarz, Benjamin; Streb, Carsten","Architectural control of urea in supramolecular 1D strontium vanadium oxide chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4195","4199","10.1039/c4dt03691c","","x-ray","0.71073","MoKα","","0.0342","0.028","","","0.0699","0.0747","","","","","","1.047","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033664","10.8044","0.0005","23.2995","0.0014","22.234","0.0011","90","","100.681","0.004","90","","5500.1","0.5","150","2","150.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H51 N13 O37 Sr2 V10 -","- C19 H51 N13 O37 Sr2 V10 -","- C76 H204 N52 O148 Sr8 V40 -","4","1","","Schwarz, Benjamin; Streb, Carsten","Architectural control of urea in supramolecular 1D strontium vanadium oxide chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4195","4199","10.1039/c4dt03691c","","x-ray","0.71073","MoKα","","0.0229","0.0198","","","0.0458","0.0467","","","","","","1.054","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033665","15.773","0.0015","9.3471","0.0009","18.1249","0.0017","90","","102.011","0.001","90","","2613.7","0.4","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6-Diphenyphosphancarbonylpyridin-2-yl)diphenylphosphanylmethanone","","- C31 H23 N O2 P2 -","- C31 H23 N O2 P2 -","- C124 H92 N4 O8 P8 -","4","1","","Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4167","4179","10.1039/c4dt03960b","","","0.71073","MoKα","","0.0503","0.0387","","","0.0965","0.1056","","","","","","1.029","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033666","8.4416","0.0018","17.82","0.004","9.883","0.002","90","","91.51","0.003","90","","1486.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H23 Au2 Cl2 N O2 P2 -","- C31 H23 Au2 Cl2 N O2 P2 -","- C62 H46 Au4 Cl4 N2 O4 P4 -","2","1","","Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4167","4179","10.1039/c4dt03960b","","","0.71073","MoKα","","0.0212","0.0202","","","0.0436","0.0438","","","","","","0.922","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033667","12.3052","0.0014","12.6279","0.0014","15.3356","0.0017","90.014","0.002","93.922","0.002","105.059","0.002","2295.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Cl6 N2 O3 P2 Ru2 -","- C44 H42 Cl6 N2 O3 P2 Ru2 -","- C88 H84 Cl12 N4 O6 P4 Ru4 -","2","1","","Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4167","4179","10.1039/c4dt03960b","","","0.71073","MoKα","","0.0518","0.0408","","","0.1011","0.1096","","","","","","1.035","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033668","11.894","0.003","14.148","0.003","15.675","0.004","90","","101.663","0.003","90","","2583.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl N O2 P2 Rh -","- C31 H23 Cl N O2 P2 Rh -","- C124 H92 Cl4 N4 O8 P8 Rh4 -","4","1","","Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4167","4179","10.1039/c4dt03960b","","","0.71073","MoKα","","0.0286","0.026","","","0.0648","0.0666","","","","","","1.038","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033669","4.0868","0.0004","4.0868","0.0004","4.0868","0.0004","90","","90","","90","","68.257","0.012","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba Co O2.22 -","- Ba Co O2.22 -","- Ba Co O2.22 -","1","0.0208333","","Mentré, Olivier; Iorgulescu, Mihaela; Huvé, Marielle; Kabbour, Houria; Renaut, Nicolas; Daviero-Minaud, Sylvie; Colis, Silviu; Roussel, Pascal","BaCoO2.22: the most oxygen-deficient certified cubic perovskite.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10728","10737","10.1039/c4dt03874f","","x-ray","0.71073","MoKα","","0.028","0.0266","","","0.0373","0.0375","","","","2.14","2.14","2.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033670","10.9041","0.0007","11.092","0.0005","12.5151","0.0008","97.586","0.005","91.018","0.005","110.47","0.004","1402.35","0.15","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H74 Mg2 N4 O4 P2 -","- C64 H74 Mg2 N4 O4 P2 -","- C64 H74 Mg2 N4 O4 P2 -","1","0.5","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0541","0.0415","","","0.0993","0.11","","","","","","1.087","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033671","10.473","0.0008","10.8549","0.0008","19.6561","0.0015","91.26","0.007","103.789","0.006","100.707","0.007","2127.2","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 Mg N4 P2 -","- C44 H64 Mg N4 P2 -","- C88 H128 Mg2 N8 P4 -","2","1","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0532","0.0393","","","0.0876","0.0976","","","","","","1.116","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033672","25.7012","0.0003","8.6979","0.0005","18.774","0.0002","90","","132.402","0.003","90","","3099.1","0.2","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Mg N4 P2 -","- C28 H48 Mg N4 P2 -","- C112 H192 Mg4 N16 P8 -","4","0.5","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0506","0.0375","","","0.0997","0.122","","","","","","1.174","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033673","11.041","0.0007","23.3141","0.0016","11.5729","0.0014","90","","119.76","0.005","90","","2586.1","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Br Mg N2 O2 P -","- C26 H32 Br Mg N2 O2 P -","- C104 H128 Br4 Mg4 N8 O8 P4 -","4","1","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0518","0.0391","","","0.0938","0.104","","","","","","1.177","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033674","11.891","0.0009","17.705","0.0012","15.8581","0.0013","90","","102.911","0.006","90","","3254.2","0.4","150","1","150","1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H47 Mg N2 O4 P -","- C32 H43 Mg N2 O3.5 P -","- C128 H172 Mg4 N8 O14 P4 -","4","2","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.1066","0.0697","","","0.1492","0.177","","","","","","1.131","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033675","17.4962","0.0004","11.413","0.0002","18.2113","0.0006","90","","121.211","0.002","90","","3110.18","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Mg N4 P2 -","- C28 H48 Mg N4 P2 -","- C112 H192 Mg4 N16 P8 -","4","1","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0546","0.038","","","0.0842","0.0966","","","","","","1.156","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033676","12.182","0.0009","14.8989","0.001","16.3201","0.0011","75.236","0.005","71.29","0.004","82.394","0.006","2708.8","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H80 Br2 Mg2 N4 O2 P2 -","- C52 H80 Br2 Mg2 N4 O2 P2 -","- C104 H160 Br4 Mg4 N8 O4 P4 -","2","1","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0576","0.0369","","","0.0744","0.0865","","","","","","1.134","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033677","10.029","0.0007","12.7811","0.001","19.548","0.002","84.135","0.008","82.017","0.007","69.49","0.005","2320.2","0.4","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H56 Mg N4 O2 P2 -","- C47 H48 Mg N4 O P2 -","- C94 H96 Mg2 N8 O2 P4 -","2","1","","Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor","Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4533","4545","10.1039/c4dt03929g","","","0.71073","MoKα","","0.0803","0.056","","","0.1407","0.1674","","","","","","1.011","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033678","12.8625","0.0005","14.2812","0.0007","18.9563","0.0009","76.066","0.004","83.142","0.004","82.373","0.004","3335.9","0.3","120.01","0.1","120","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C116 H100 Cl2 F36 Fe2 N20 O4 P6 Zn2 -","- C116 H100 Cl2 F36 Fe2 N20 O4 P6 Zn2 -","- C116 H100 Cl2 F36 Fe2 N20 O4 P6 Zn2 -","1","0.5","","Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.","Deliberate boxes and accidental wheels.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4200","4206","10.1039/c4dt03089c","","x-ray","1.54184","CuKα","","0.0788","0.0536","","","0.1394","0.1595","","","","","","1.03","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033679","20.9518","0.001","19.8601","0.0006","36.0894","0.0012","90","","101.626","0.004","90","","14708.9","1","173.35","0.1","173.35","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H99 F30 Fe2 N22 O7 P5 Zn2 -","- C122 H99 F30 Fe2 N22 O7 P5 Zn2 -","- C488 H396 F120 Fe8 N88 O28 P20 Zn8 -","4","1","","Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.","Deliberate boxes and accidental wheels.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4200","4206","10.1039/c4dt03089c","","x-ray","1.54184","CuKα","","0.1124","0.0707","","","0.1861","0.2075","","","","","","0.993","","","","has coordinates,has disorder","180042","2020-10-21","18:00:00",""
"7033680","16.9013","0.0004","25.0753","0.0007","26.0861","0.0007","65.062","0.003","85.547","0.002","82.033","0.002","9925.6","0.5","286.13","0.1","286.13","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C280 H245.8 Br20 N50 Ni10 O53.9 -","- C280 H245.8 Br20 N50 Ni10 O53.9 -","- C280 H245.8 Br20 N50 Ni10 O53.9 -","1","0.5","","Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.","Deliberate boxes and accidental wheels.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4200","4206","10.1039/c4dt03089c","","","1.54184","CuKα","","0.1149","0.1","","","0.3087","0.3323","","","","","","1.366","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033681","16.7862","0.0002","24.9108","0.0004","26.1281","0.0005","64.9465","0.0018","85.1949","0.0014","81.8728","0.0013","9794.8","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C280 H244.8 Cl20 N50 Ni10 O51.4 -","- C280 H244.8 Cl20 N50 Ni10 O51.4 -","- C280 H244.8 Cl20 N50 Ni10 O51.4 -","1","0.5","","Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.","Deliberate boxes and accidental wheels.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4200","4206","10.1039/c4dt03089c","","","1.54184","CuKα","","0.0928","0.0801","","","0.2399","0.2548","","","","","","1.092","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033682","35.189","0.002","14.868","0.0006","26.4641","0.0016","90","","109.638","0.007","90","","13040.4","1.3","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 F18 N11 O2 P3 Zn2 -","- C60 H52 F18 N11 O2 P3 Zn2 -","- C480 H416 F144 N88 O16 P24 Zn16 -","8","1","","Kaur, Gurpreet; Polson, Matthew I. J.; Hartshorn, Richard M.","Deliberate boxes and accidental wheels.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4200","4206","10.1039/c4dt03089c","","","1.54184","CuKα","","0.1272","0.0702","","","0.1821","0.228","","","","","","1.097","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033683","6.6723","0.0009","8.3982","0.0013","10.312","0.002","75.47","0.016","71.695","0.015","88.038","0.013","530.43","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Eu2 N2 O18 -","- C16 H16 Eu2 N2 O18 -","- C16 H16 Eu2 N2 O18 -","1","0.5","","Yu, Yanyan; Zhang, Lijuan; Zhou, Yunshan; Zuhra, Zareen","Two series of reactant's ratio-dependent lanthanide organic frameworks derived from nicotinic acid N-oxide and oxalate: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4601","4612","10.1039/c4dt03668a","","","0.71073","MoKα","","0.0262","0.0245","","","0.0572","0.0579","","","","","","1.07","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033684","8.2954","0.0004","9.7473","0.0005","9.8872","0.0006","101.508","0.005","108.666","0.005","101.022","0.004","713.62","0.08","102.5","","102.5","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O18 Tb2 -","- C26 H20 N4 O18 Tb2 -","- C26 H20 N4 O18 Tb2 -","1","0.5","","Yu, Yanyan; Zhang, Lijuan; Zhou, Yunshan; Zuhra, Zareen","Two series of reactant's ratio-dependent lanthanide organic frameworks derived from nicotinic acid N-oxide and oxalate: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4601","4612","10.1039/c4dt03668a","","","0.71073","MoKα","","0.0292","0.0273","","","0.0637","0.0648","","","","","","1.095","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033685","5.218","0.0002","5.37104","0.00017","7.5874","0.0003","90","","90.364","0.003","90","","212.641","0.014","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cr Mn2 O6 Sb -","- Cr Mn2 O6 Sb -","- Cr2 Mn4 O12 Sb2 -","2","0.5","","Dos Santos-García, Antonio J; Solana-Madruga, Elena; Ritter, Clemens; Ávila-Brande, David; Fabelo, Oscar; Sáez-Puche, Regino","Synthesis, structures and magnetic properties of the dimorphic Mn2CrSbO6 oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10665","10672","10.1039/c4dt03849e","powder diffraction","","1.5936","neutron","","","","","","","","","4.8916","1.3294","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033686","5.2084","0.0004","5.2084","0.0004","14.4","0.0011","90","","90","","120","","338.3","0.04","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cr Mn2 O6 Sb -","- Cr2.99988 Mn6 O18.0002 Sb2.99988 -","- Cr2.99988 Mn6 O18.0002 Sb2.99988 -","1","0.0555556","","Dos Santos-García, Antonio J; Solana-Madruga, Elena; Ritter, Clemens; Ávila-Brande, David; Fabelo, Oscar; Sáez-Puche, Regino","Synthesis, structures and magnetic properties of the dimorphic Mn2CrSbO6 oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10665","10672","10.1039/c4dt03849e","powder diffraction","","1.5936","neutron","","","","","","","","","3.7935","1.3772","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033687","9.749","0.005","21.935","0.005","31.167","0.005","90","0.005","90","0.005","90","0.005","6665","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Eu","2#Eu","","- C44.5 H42.5 Eu2 O30.75 S6 -","- C44 H20 Eu2 O30 S6 -","- C176 H80 Eu8 O120 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0632","0.0559","","","0.1389","0.1438","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033688","9.728","0.005","22.1","0.005","31.176","0.005","90","0.005","90","0.005","90","0.005","6702","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gd","3#Gd","","- C46 H25 Gd2 O31 S6 -","- C46 H25 Gd2 O31 S6 -","- C184 H100 Gd8 O124 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0713","0.0666","","","0.1672","0.1724","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033689","9.887","0.005","22.183","0.005","31.491","0.005","90","0.005","90","0.005","90","0.005","6907","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","La","1#La","","- C49 H56 La2 O33 S6 -","- C49 H32 La2 O33 S6 -","- C196 H128 La8 O132 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.071","0.0681","","","0.1643","0.1662","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033690","9.717","0.005","21.798","0.005","30.791","0.005","90","0.005","90","0.005","90","0.005","6522","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tb","4#Tb","","- C45 H44 O31 S6 Tb2 -","- C45 H21 O31 S6 Tb2 -","- C180 H84 O124 S24 Tb8 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0758","0.0735","","","0.1876","0.1895","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033691","3.93494","0.00008","14.7566","0.0004","5.63262","0.00014","90","","90","","90","","327.066","0.014","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","2.58","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033692","3.94781","0.00004","14.68792","0.0002","5.67864","0.00008","90","","90","","90","","329.277","0.007","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","2.23","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033693","7.63455","0.00013","5.57528","0.00009","7.81819","0.0001","90","","101.459","0.0014","90","","326.147","0.009","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","1","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","1.61","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033694","3.94615","0.00005","14.70587","0.00024","5.66392","0.0001","90","","90","","90","","328.686","0.009","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- La O4 Ta -","- La O4 Ta -","- La4 O16 Ta4 -","4","0.5","","Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip","Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10673","10680","10.1039/c4dt03721a","powder diffraction","","","","","","","","","","","","","1.81","","","","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033695","6.2422","0.0005","11.904","0.0011","11.5004","0.0009","90","","90.726","0.004","90","","854.49","0.12","200","","200","","","","","","","","Research School of Chemistry","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 B N O4 -","- C7 H8 B N O4 -","- C28 H32 B4 N4 O16 -","4","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.1427","0.0723","","0.1944","0.1594","0.1944","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033696","12.2088","0.0003","19.7555","0.0004","21.8833","0.0005","64.8712","0.0013","79.6801","0.0012","89.3128","0.0015","4689.03","0.19","200","","200","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C45.3 H38.6 B Cl0.6 N O6 P2 Ru -","- C45.3 H38.6 B Cl0.6 N O6 P2 Ru -","- C181.2 H154.4 B4 Cl2.4 N4 O24 P8 Ru4 -","4","2","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.1146","0.0695","","0.2104","0.1668","0.2104","","","","","","0.9627","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033697","12.2188","0.0004","18.0463","0.0005","21.6354","0.0004","107.845","0.0017","94.2812","0.0015","100.367","0.0014","4423.9","0.2","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C45 H38 B N O6 P2 Ru -","- C45 H38 B N O6 P2 Ru -","- C180 H152 B4 N4 O24 P8 Ru4 -","4","2","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.0904","0.0489","","0.1153","0.098","0.1153","","","","","","0.9644","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033698","10.6884","0.0001","10.9013","0.0001","18.731","0.0001","90","","91.4444","0.0006","90","","2181.79","0.03","150","","150","","","","","","","","Research School of Chemistry","8","P 1 c 1","P -2yc","7","","","","- C47 H43 B N2 O5 P2 Ru S2 -","- C47 H43 B N2 O5 P2 Ru S2 -","- C94 H86 B2 N4 O10 P4 Ru2 S4 -","2","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.54184","CuKα","","0.0262","0.0258","","0.0695","0.0685","0.0695","","","","","","0.9481","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033699","11.89073","0.00017","18.5016","0.0003","23.4234","0.0004","101.873","0.0015","91.4641","0.0013","105.693","0.0014","4836.81","0.14","150","","150","","","","","","","","Research School of Chemistry","9","P -1","-P 1","2","","","","- C49.5 H48 B Cl N2 O5 P2 Ru S2 -","- C49.5 H48 B Cl N2 O5 P2 Ru S2 -","- C198 H192 B4 Cl4 N8 O20 P8 Ru4 S8 -","4","2","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.5418","CuKα","","0.0527","0.0457","","0.111","0.1029","0.111","","","","","","0.9173","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7033700","13.1367","0.0008","14.1164","0.0008","16.236","0.0007","86.068","0.003","73.777","0.003","87.542","0.003","2883.3","0.3","200","","200","","","","","","","","Research School of Chemistry","9","P -1","-P 1","2","","","","- C60 H58 B Cl3 F6 N O4 P5 Ru -","- C60 H58 B Cl3 F6 N O4 P5 Ru -","- C120 H116 B2 Cl6 F12 N2 O8 P10 Ru2 -","2","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.1049","0.0582","","0.1483","0.1239","0.1483","","","","","","0.9672","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033701","12.8444","0.0004","25.1664","0.0007","47.1159","0.0013","90","","91.7","0.003","90","","15223.4","0.8","150","","150","","","","","","","","Research School of Chemistry","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H55 B N2 O6 P2 Ru S2 -","- C52 H55 B N2 O6 P2 Ru S2 -","- C624 H660 B12 N24 O72 P24 Ru12 S24 -","12","3","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.5418","CuKα","","0.1438","0.0844","","0.1682","0.1377","0.168","","","","","","0.9723","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033702","17.0407","0.0005","11.2086","0.0003","19.6906","0.0005","90","","103.401","0.0014","90","","3658.54","0.17","200","","200","","","","","","","","Research School of Chemistry","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32.2 Cl1.8 O3 P2 Ru -","- C40 H32.2 Cl1.8 O3 P2 Ru -","- C160 H128.8 Cl7.2 O12 P8 Ru4 -","4","0.5","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.1179","0.0472","","0.0965","0.0804","0.0965","","","","","","0.9387","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033703","9.9889","0.0005","14.4392","0.0012","17.9821","0.0013","83.116","0.006","76.954","0.005","85.934","0.005","2505.9","0.3","150","","150","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C57 H55 Cl N O P2 Ru S2 -","- C57 H55 Cl N O P2 Ru S2 -","- C114 H110 Cl2 N2 O2 P4 Ru2 S4 -","2","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.54184","CuKα","","0.1413","0.1175","","0.2778","0.2679","0.2778","","","","","","1.0523","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033704","15.3146","0.0001","15.9984","0.0001","17.1568","0.0001","90","","98.9667","0.0005","90","","4152.2","0.05","150","","150","","","","","","","","Research School of Chemistry","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 Cl3 N O P2 Ru S2 -","- C43 H42 Cl3 N O P2 Ru S2 -","- C172 H168 Cl12 N4 O4 P8 Ru4 S8 -","4","0.5","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.54184","CuKα","","0.0342","0.0341","","0.0952","0.0951","0.0952","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033705","9.90371","0.00017","15.5276","0.0003","18.2972","0.0003","66.3796","0.0016","77.3401","0.0015","88.4075","0.0014","2509.67","0.08","150","","150","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C44 H42 Cl7 N O P2 Ru S2 -","- C44 H42 Cl7 N O P2 Ru S2 -","- C88 H84 Cl14 N2 O2 P4 Ru2 S4 -","2","1","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","1.5418","CuKα","","0.0356","0.0352","","0.0818","0.0817","0.0818","","","","","","0.9016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033706","14.633","0.0004","16.6388","0.0003","17.4758","0.0004","90","","102.586","0.002","90","","4152.68","0.17","150","","150","","","","","","","","Research School of Chemistry","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 Cl N O2 P2 Ru S2 -","- C43 H44 Cl N O2 P2 Ru S2 -","- C172 H176 Cl4 N4 O8 P8 Ru4 S8 -","4","0.5","","Hill, Anthony F.; Stewart, Craig D.; Ward, Jas S.","Organometallic chemistry of ethynyl boronic acid MIDA ester, HC[triple bond, length as m-dash]CB(O2CCH2)2NMe.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5713","5726","10.1039/c4dt03695f","","","0.71073","MoKα","","0.0412","0.0332","","0.0782","0.0702","0.0779","","","","","","0.9283","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033707","10.22","0.001","10.514","0.001","17.379","0.002","90","","90.604","0.005","90","","1867.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F3 Mn N2 O7 S -","- C16 H10 F3 Mn N2 O7 S -","- C64 H40 F12 Mn4 N8 O28 S4 -","4","1","","Twala, T. N.; Schutte-Smith, M; Roodt, A.; Visser, H. G.","Activation of the manganese(i) tricarbonyl core by selective variation of bidentate ligands (L,L'-Bid = N,N' and N,O donor atom sets) in fac-[Mn(CO)3(L,L'-Bid)(CH3OH)](n) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3278","3288","10.1039/c4dt03524k","","","0.71073","MoKα","","0.0599","0.0401","","","","0.1038","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033708","10.662","0.0004","9.6493","0.0004","17.137","0.0007","90","","93.195","0.002","90","","1760.33","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F3 Mn N2 O7 S -","- C14 H10 F3 Mn N2 O7 S -","- C56 H40 F12 Mn4 N8 O28 S4 -","4","1","","Twala, T. N.; Schutte-Smith, M; Roodt, A.; Visser, H. G.","Activation of the manganese(i) tricarbonyl core by selective variation of bidentate ligands (L,L'-Bid = N,N' and N,O donor atom sets) in fac-[Mn(CO)3(L,L'-Bid)(CH3OH)](n) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3278","3288","10.1039/c4dt03524k","","","0.71073","MoKα","","0.0536","0.0446","","","","0.1068","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033709","11.5815","0.0007","13.2137","0.0007","14.4201","0.001","63.056","0.006","74.408","0.005","84.555","0.005","1893.9","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 O12 P2 W2 -","- C38 H22 O11.95 P2 W2 -","- C76 H44 O23.9 P4 W4 -","2","1","","Wang, Lili; Wang, Zhihua; Wang, Qiuyan; Duan, Zheng; Mathey, François","6-Methoxy-5-phosphaphenanthrene: a molecule with an unreactive P[double bond, length as m-dash]C double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3717","3719","10.1039/c4dt03972f","","x-ray","0.71073","MoKα","","0.1055","0.0741","","","0.1825","0.2109","","","","","","1.031","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033710","12.4704","0.0007","11.0754","0.0005","14.5549","0.0006","90","","90.502","0.005","90","","2010.17","0.17","291","2","291.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Cl O6 P W -","- C19 H12 Cl O6 P W -","- C76 H48 Cl4 O24 P4 W4 -","4","1","","Wang, Lili; Wang, Zhihua; Wang, Qiuyan; Duan, Zheng; Mathey, François","6-Methoxy-5-phosphaphenanthrene: a molecule with an unreactive P[double bond, length as m-dash]C double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3717","3719","10.1039/c4dt03972f","","","0.71073","MoKα","","0.0482","0.0332","","","0.0616","0.0679","","","","","","1.053","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033711","10.8","0.005","15.574","0.005","18.284","0.005","90","0.005","95.473","0.005","90","0.005","3061.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl6 Gd2 N2 O16 -","- C48 H78 Cl6 Gd2 N2 O16 -","- C96 H156 Cl12 Gd4 N4 O32 -","2","0.5","","Bag, Prasenjit; Rastogi, Chandresh Kumar; Biswas, Sourav; Sivakumar, Sri; Mereacre, Valeriu; Chandrasekhar, Vadapalli","Homodinuclear lanthanide {Ln2} (Ln = Gd, Tb, Dy, Eu) complexes prepared from an o-vanillin based ligand: luminescence and single-molecule magnetism behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4328","4340","10.1039/c4dt03429e","","","0.71069","MoKα","","0.0374","0.0336","","","0.0794","0.0822","","","","","","1.05","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033712","10.758","0.005","15.532","0.005","18.285","0.005","90","0.005","95.275","0.005","90","0.005","3042.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl6 Dy2 N2 O16 -","- C48 H78 Cl6 Dy2 N2 O16 -","- C96 H156 Cl12 Dy4 N4 O32 -","2","0.5","","Bag, Prasenjit; Rastogi, Chandresh Kumar; Biswas, Sourav; Sivakumar, Sri; Mereacre, Valeriu; Chandrasekhar, Vadapalli","Homodinuclear lanthanide {Ln2} (Ln = Gd, Tb, Dy, Eu) complexes prepared from an o-vanillin based ligand: luminescence and single-molecule magnetism behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4328","4340","10.1039/c4dt03429e","","","0.71069","MoKα","","0.0395","0.0334","","","0.0795","0.0836","","","","","","1.048","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033713","10.789","0.005","15.561","0.005","18.269","0.005","90","0.005","95.279","0.005","90","0.005","3054.1","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl6 N2 O16 Tb2 -","- C48 H78 Cl6 N2 O16 Tb2 -","- C96 H156 Cl12 N4 O32 Tb4 -","2","0.5","","Bag, Prasenjit; Rastogi, Chandresh Kumar; Biswas, Sourav; Sivakumar, Sri; Mereacre, Valeriu; Chandrasekhar, Vadapalli","Homodinuclear lanthanide {Ln2} (Ln = Gd, Tb, Dy, Eu) complexes prepared from an o-vanillin based ligand: luminescence and single-molecule magnetism behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4328","4340","10.1039/c4dt03429e","","","0.71069","MoKα","","0.0403","0.0332","","","0.0782","0.0828","","","","","","1.039","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033714","10.8414","0.0014","15.569","0.002","18.273","0.002","90","","95.541","0.002","90","","3069.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl6 Eu2 N2 O16 -","- C48 H78 Cl6 Eu2 N2 O16 -","- C96 H156 Cl12 Eu4 N4 O32 -","2","0.5","","Bag, Prasenjit; Rastogi, Chandresh Kumar; Biswas, Sourav; Sivakumar, Sri; Mereacre, Valeriu; Chandrasekhar, Vadapalli","Homodinuclear lanthanide {Ln2} (Ln = Gd, Tb, Dy, Eu) complexes prepared from an o-vanillin based ligand: luminescence and single-molecule magnetism behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4328","4340","10.1039/c4dt03429e","","","0.71073","MoKα","","0.0512","0.0415","","","0.1022","0.1102","","","","","","1.041","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033715","10.2159","0.0004","10.6166","0.0005","13.0796","0.0005","83.965","0.004","87.37","0.003","89.972","0.004","1409.23","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Fe N5 O3 S -","- C31 H31 Fe N5 O3 S -","- C62 H62 Fe2 N10 O6 S2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.062","0.0396","","","0.0929","0.0976","","","","","","0.954","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033716","10.2135","0.0003","10.9173","0.0003","13.0351","0.0003","98.967","0.002","93.341","0.002","90.673","0.002","1432.94","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Fe N4 O3 S -","- C32 H33 Fe N4 O3 S -","- C64 H66 Fe2 N8 O6 S2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0367","0.0298","","","0.0789","0.0814","","","","","","1.054","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033717","10.2153","0.0006","11.1783","0.0006","13.2477","0.0006","100.939","0.004","93.011","0.004","93.339","0.004","1479.62","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Fe N5 O3 S -","- C31 H32 Fe N5 O3 S -","- C62 H64 Fe2 N10 O6 S2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0802","0.0522","","","0.1416","0.15","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033718","10.2841","0.0003","11.2785","0.0003","13.2216","0.0004","101.184","0.003","93.834","0.003","92.497","0.002","1498.57","0.08","308","2","308","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Fe N5 O3 Se -","- C31 H32 Fe N5 O3 Se -","- C62 H64 Fe2 N10 O6 Se2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0855","0.0467","","","0.1127","0.1201","","","","","","0.913","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033719","10.2652","0.0003","11.4487","0.0003","12.7914","0.0004","106.073","0.002","92.837","0.002","97.652","0.002","1425.76","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Fe N5 O3 S -","- C31 H32 Fe N5 O3 S -","- C62 H64 Fe2 N10 O6 S2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0438","0.0328","","","0.0895","0.0931","","","","","","0.947","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033720","10.2722","0.0007","11.4128","0.0006","12.8071","0.0009","105.151","0.005","93.37","0.005","96.06","0.005","1435.3","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Fe N5 O3 Se -","- C31 H32 Fe N5 O3 Se -","- C62 H64 Fe2 N10 O6 Se2 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0839","0.0616","","","0.1523","0.1588","","","","","","0.909","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033721","10.2094","0.0003","11.0128","0.0004","12.9469","0.0004","98.641","0.003","92.784","0.002","95.509","0.003","1429.56","0.08","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 Fe N4 O3 S2 -","- C30 H31 Fe N4 O3 S2 -","- C60 H62 Fe2 N8 O6 S4 -","2","1","","Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","The relationship between the strength of hydrogen bonding and spin crossover behaviour in a series of iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4474","4484","10.1039/c4dt03400g","","","0.71073","MoKα","","0.0533","0.0412","","","0.1156","0.1196","","","","","","1.073","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033722","12.9121","0.0005","7.7803","0.0003","18.6223","0.0008","90","","94.464","0.001","90","","1865.12","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 Hg N3 O3 S -","- C16 H13 Cl2 Hg N3 O3 S -","- C64 H52 Cl8 Hg4 N12 O12 S4 -","4","1","","Parthiban, C.; Manivannan, R.; Elango, Kuppanagounder P.","Highly selective colorimetric sensing of Hg(ii) ions in aqueous medium and in the solid state via formation of a novel M-C bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3259","3264","10.1039/c4dt03289f","","","0.71073","MoKα","","0.05","0.0336","","","0.0899","0.097","","","","","","1.187","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033723","11.241","0.002","11.485","0.002","21.149","0.004","75.515","0.003","74.784","0.004","67.553","0.003","2400.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H22 F18 N4 Nd2 O9 -","- C45 H22 F18 N4 Nd2 O9 -","- C90 H44 F36 N8 Nd4 O18 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Wu, Jianfeng; Yuan, Sen-Wen; Tang, Jinkui","Employment of triketones to construct a dysprosium(iii) single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4648","4654","10.1039/c4dt03494e","","","0.71073","MoKα","","0.0506","0.0332","","","0.0688","0.0787","","","","","","1.015","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033724","12.076","0.003","29.138","0.006","13.369","0.003","90","","92.286","0.004","90","","4700.4","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H22 Dy2 F18 N4 O9 -","- C45 H22 Dy2 F18 N4 O9 -","- C180 H88 Dy8 F72 N16 O36 -","4","1","","Wang, Chao; Lin, Shuang-Yan; Wu, Jianfeng; Yuan, Sen-Wen; Tang, Jinkui","Employment of triketones to construct a dysprosium(iii) single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4648","4654","10.1039/c4dt03494e","","","0.71073","MoKα","","0.1537","0.0859","","","0.2112","0.2688","","","","","","0.984","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033725","12.0714","0.0006","29.16","0.0014","13.3336","0.0007","90","","92.248","0.001","90","","4689.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H22 F18 N4 O9 Yb2 -","- C45 H22 F18 N4 O9 Yb2 -","- C180 H88 F72 N16 O36 Yb8 -","4","1","","Wang, Chao; Lin, Shuang-Yan; Wu, Jianfeng; Yuan, Sen-Wen; Tang, Jinkui","Employment of triketones to construct a dysprosium(iii) single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4648","4654","10.1039/c4dt03494e","","","0.71073","MoKα","","0.0426","0.0294","","","0.0597","0.0649","","","","","","1.024","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033726","14.0744","0.0006","14.0744","0.0006","12.4525","0.0011","90","","90","","90","","2466.7","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H39 N5 Pt -","- C21 H39 N5 Pt -","- C84 H156 N20 Pt4 -","4","0.5","","Janzen, Daron E.; Mann, Kent R.","Heteroleptic platinum(ii) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4223","4237","10.1039/c4dt03820g","","","0.71073","MoKα","","0.022","0.019","","","0.0412","0.042","","","","","","1.034","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033727","13.883","0.0011","12.4658","0.001","17.7056","0.0015","90","","108.625","0.001","90","","2903.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N5 Pt -","- C26 H47 N5 Pt -","- C104 H188 N20 Pt4 -","4","1","","Janzen, Daron E.; Mann, Kent R.","Heteroleptic platinum(ii) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4223","4237","10.1039/c4dt03820g","","","0.71073","MoKα","","0.0435","0.0284","","","0.0609","0.0642","","","","","","0.916","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033728","9.737","0.007","12.79","0.01","13.612","0.01","105.497","0.012","105.99","0.012","109.101","0.012","1415.7","1.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H47 N5 Pt -","- C26 H47 N5 Pt -","- C52 H94 N10 Pt2 -","2","1","","Janzen, Daron E.; Mann, Kent R.","Heteroleptic platinum(ii) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4223","4237","10.1039/c4dt03820g","","","0.71073","MoKα","","0.1111","0.0873","","","0.2","0.2108","","","","","","1.017","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033729","9.1124","0.0006","18.609","0.0013","18.2156","0.0014","90","","104.476","0.001","90","","2990.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N5 Pt -","- C28 H45 N5 Pt -","- C112 H180 N20 Pt4 -","4","1","","Janzen, Daron E.; Mann, Kent R.","Heteroleptic platinum(ii) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4223","4237","10.1039/c4dt03820g","","","0.71073","MoKα","","0.0522","0.039","","","0.0841","0.0886","","","","","","1.073","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033730","17.8368","0.0008","13.1629","0.0006","24.6728","0.0011","90","","110.68","0.0016","90","","5419.5","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H62 B N O3 P2 Ru -","- C61 H62 B N O3 P2 Ru -","- C244 H248 B4 N4 O12 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Reactivity of vinylidene complexes of ruthenium with hydrazines and hydroxylamines.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3439","3446","10.1039/c4dt03464c","","","1.54178","CuKα","","0.0433","0.0383","","","0.1045","0.1081","","","","","","1.101","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033731","13.3404","0.0004","13.3404","0.0004","24.3913","0.0009","90","","90","","120","","3759.3","0.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C63 H57 Mn3 N24 Na2 O13 -","- C63 H57 Mn3 N24 Na2 O13 -","- C126 H114 Mn6 N48 Na4 O26 -","2","0.166667","","Giannopoulos, Dimosthenis P.; Wilson-Konderka, Cody; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Metallinos, Costa; Stamatatos, Theocharis C.","Synthesis and first use of pyridine-2,6-diylbis(pyrazine-2-ylmethanone) in metal cluster chemistry: a {Mn(III)3Na2} complex with an ideal trigonal bipyramidal geometry.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4318","4327","10.1039/c4dt03666b","","","0.7749","synchrotron","","0.0644","0.0531","","","0.17","0.1809","","","","","","1.07","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033732","18.02","0.005","27.937","0.007","23.201","0.006","90","","108.317","0.005","90","","11088","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 N3 O4 Zn -","- C35 H21 N3 O4 Zn -","- C280 H168 N24 O32 Zn8 -","8","1","","Liu, Bo; Hou, Lei; Wu, Wei-Ping; Dou, Ai-Na; Wang, Yao-Yu","Highly selective luminescence sensing for Cu(2+) ions and selective CO2 capture in a doubly interpenetrated MOF with Lewis basic pyridyl sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4423","4427","10.1039/c4dt02481h","","","0.71073","MoKα","","0.1086","0.0668","","","0.1563","0.1627","","","","","","1.185","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033733","18.2711","0.0008","18.2711","0.0008","13.4431","0.0012","90","","90","","120","","3886.5","0.4","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","[(Me2DABCO)5(Cu15Br24)Br]","","- C8 H18 Br25 Cu15 N2 -","- C8 H17.94 Br25 Cu15 N2 -","- C16 H35.88 Br50 Cu30 N4 -","2","0.166667","","Yao, Ru-Xin; Hailili, Reshalaiti; Cui, Xin; Wang, Li; Zhang, Xian-Ming","A perfectly aligned 63 helical tubular cuprous bromide single crystal for selective photo-catalysis, luminescence and sensing of nitro-explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3410","3416","10.1039/c4dt03657c","","","0.71073","MoKα","","0.1273","0.0671","","","0.1653","0.1882","","","","","","1.014","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033734","6.8063","0.0006","9.4869","0.0009","9.6535","0.0009","106.099","0.001","103.668","0.001","91.524","0.001","579.09","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 Au Br0.5 Cl N3 -","- C10 H11 Au Br0.192 Cl0.808 N3 -","- C20 H22 Au2 Br0.384 Cl1.616 N6 -","2","1","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0189","0.018","","","0.0453","0.0456","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033735","10.879","0.002","10.971","0.002","12.044","0.002","77.756","0.003","69.925","0.003","60.903","0.003","1178","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Au Br N3 -","- C10 H11 Au Br N3 -","- C40 H44 Au4 Br4 N12 -","4","2","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0236","0.0217","","","0.0493","0.05","","","","","","1.084","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033736","6.6322","0.0005","8.7311","0.0007","11.7798","0.0009","69.501","0.002","87.692","0.002","72.119","0.002","606.34","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Au2 I2 N6 -","- C20 H22 Au2 I2 N6 -","- C20 H22 Au2 I2 N6 -","1","0.5","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0342","0.0306","","","0.0706","0.0721","","","","","","1.077","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033737","9.7892","0.0015","8.733","0.0014","16.171","0.002","90","","104.757","0.002","90","","1336.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14.5 Au N3 O2.25 -","- C12 H14 Au N3 O2.25 -","- C48 H56 Au4 N12 O9 -","4","1","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0284","0.0255","","","0.0652","0.0667","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033738","8.0153","0.0006","11.312","0.0008","12.471","0.0009","90","","90.985","0.001","90","","1130.57","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Au F6 N6 P -","- C20 H22 Au F6 N6 P -","- C40 H44 Au2 F12 N12 P2 -","2","0.5","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0388","0.0311","","","0.0767","0.081","","","","","","1.082","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033739","8.6366","0.0006","14.877","0.0011","12.5813","0.0009","90","","96.683","0.002","90","","1605.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Au I3 N3 -","- C10 H11 Au I3 N3 -","- C40 H44 Au4 I12 N12 -","4","1","","Guo, Shuai; Bernhammer, Jan Christopher; Huynh, Han Vinh","1,2,4-Triazole-derived carbene complexes of gold: characterization, solid-state aggregation and ligand disproportionation.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15157","15165","10.1039/c4dt03201b","","","0.71073","MoKα","","0.0519","0.0475","","","0.1193","0.1217","","","","","","1.054","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033740","7.6495","0.0017","9.511","0.002","18.497","0.004","82.343","0.004","87.017","0.004","84.233","0.004","1326","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 Cu2 N6 O11.5 P2 -","- C20 H27 Cu2 N6 O11.5 P2 -","- C40 H54 Cu4 N12 O23 P4 -","2","1","","Sartoris, Rosana P.; Nascimento, Otaciro R.; Santana, Ricardo C.; Perec, Mireille; Baggio, Ricardo F.; Calvo, Rafael","Structure and magnetism of a binuclear Cu(II) pyrophosphate: transition to a 3D magnetic behaviour studied by single crystal EPR.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4732","4743","10.1039/c4dt03616f","","","0.71073","MoKα","","0.0605","0.0419","","","0.0929","0.1021","","","","","","0.997","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033741","26.454","0.002","12.7445","0.0009","8.9389","0.0005","90","","94.842","0.003","90","","3002.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F12 N4 O3 S -","- C28 H24 F12 N4 O3 S -","- C112 H96 F48 N16 O12 S4 -","4","0.5","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.71075","MoKα","","0.0908","0.0751","","","0.1893","0.2007","","","","","","1.077","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033742","11.4364","0.0009","12.8183","0.001","9.0313","0.0007","90","","100.463","0.002","90","","1301.93","0.18","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H17 F12 N5 O2 -","- C25 H17 F12 N5 O2 -","- C50 H34 F24 N10 O4 -","2","0.5","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.71075","MoKα","","0.0465","0.0381","","","0.0974","0.1025","","","","","","1.037","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033743","26.21","0.007","12.739","0.003","8.981","0.002","90","","96.618","0.005","90","","2978.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 F12 N5 O2 -","- C25 H17 F12 N5 O2 -","- C100 H68 F48 N20 O8 -","4","0.5","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","x-ray","0.71075","MoKα","","0.0772","0.0646","","","0.1945","0.2048","","","","","","1.071","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033744","34.55","0.002","8.7957","0.0005","43.222","0.003","90","","91.801","0.004","90","","13128.3","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C60 H104 F6 N6 O9 -","- C60 H104 F6 N6 O9 -","- C480 H832 F48 N48 O72 -","8","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.71075","MoKα","","0.0842","0.0533","","","0.1468","0.1612","","","","","","1.046","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033745","19.1107","0.0015","8.4202","0.0007","42.107","0.003","90","","96.582","0.005","90","","6731","0.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C62 H96 F12 N6 O6 -","- C62 H96 F12 N6 O6 -","- C248 H384 F48 N24 O24 -","4","0.5","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.6889","","","0.3589","0.2097","","","0.4844","0.5516","","","","","","1.293","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033746","20.944","0.003","24.898","0.003","38.318","0.005","90","","90","","90","","19981","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H120 F24 N10 O9 S2 -","- C88.998 H119.994 F24 N10 O8.999 S1.999 -","- C711.984 H959.952 F192 N80 O71.992 S15.992 -","8","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.6889","synchrotron","","0.1054","0.0727","","","0.1646","0.1835","","","","","","1.079","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033747","12.5362","0.0016","32.55","0.004","23.279","0.003","90","","97.732","0.002","90","","9413","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H113 F24 N12 O9 P S -","- C84 H113 F24 N12 O9 P S -","- C336 H452 F96 N48 O36 P4 S4 -","4","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","x-ray","0.71075","MoKα","","0.1262","0.0674","","","0.1727","0.2","","","","","","0.996","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033748","29.281","0.006","14.001","0.002","28.838","0.006","90","","113.087","0.003","90","","10876","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H131 F18 N17 O11 S -","- C101 H131 F18 N17 O11 S -","- C404 H524 F72 N68 O44 S4 -","4","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","x-ray","0.71075","MoKα","","0.1533","0.1074","","","0.264","0.2878","","","","","","1.021","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033749","10.2042","0.0007","16.8211","0.0011","16.8403","0.0011","90","","90","","90","","2890.6","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cu N6 O9 -","- C24 H42 Cu N6 O9 -","- C96 H168 Cu4 N24 O36 -","4","1","","Rodríguez-Rodríguez, Aurora; Garda, Zoltán; Ruscsák, Erika; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Lima, Luís M P; Beyler, Maryline; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos","Stable Mn(2+), Cu(2+) and Ln(3+) complexes with cyclen-based ligands functionalized with picolinate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5017","5031","10.1039/c4dt02985b","","x-ray","0.71073","MoKα","","0.1087","0.0516","","","0.0804","0.0907","","","","","","0.817","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033750","20.412","0.002","9.4077","0.001","21.531","0.003","90","","101.241","0.006","90","","4055.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 F12 N6 Na O12 -","- C32 H37 F12 N6 Na O12 -","- C128 H148 F48 N24 Na4 O48 -","4","1","","Rodríguez-Rodríguez, Aurora; Garda, Zoltán; Ruscsák, Erika; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Lima, Luís M P; Beyler, Maryline; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos","Stable Mn(2+), Cu(2+) and Ln(3+) complexes with cyclen-based ligands functionalized with picolinate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5017","5031","10.1039/c4dt02985b","","x-ray","0.71073","MoKα","","0.0865","0.0626","","","0.164","0.1827","","","","","","1.036","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033751","25.812","0.003","8.0367","0.0007","16.0496","0.0015","90","","127.284","0.002","90","","2649","0.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 B2 Cl6 F10 Fe N6 O6 -","- C18 B2 Cl6 F10 Fe N6 O6 -","- C72 B8 Cl24 F40 Fe4 N24 O24 -","4","0.5","","Belov, Alexander S.; Zelinskii, Genrikh E.; Varzatskii, Oleg A.; Belaya, Irina G.; Vologzhanina, Anna V.; Dolganov, Alexander V.; Novikov, Valentin V.; Voloshin, Yan Z.","Molecular design of cage iron(ii) and cobalt(ii,iii) complexes with a second fluorine-enriched superhydrophobic shell.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3773","3784","10.1039/c4dt03628j","","","0.71073","MoKα","","0.03","0.0261","","","0.0717","0.0757","","","","","","1.059","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033752","29.188","0.019","8.114","0.005","30.93","0.02","90","","101.479","0.012","90","","7179","8","100","","100","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H8 B2 Cl6 F34 Fe N6 O6 S6 -","- C57.5 H8 B2 Cl6 F34 Fe N6 O6 S6 -","- C230 H32 B8 Cl24 F136 Fe4 N24 O24 S24 -","4","0.5","","Belov, Alexander S.; Zelinskii, Genrikh E.; Varzatskii, Oleg A.; Belaya, Irina G.; Vologzhanina, Anna V.; Dolganov, Alexander V.; Novikov, Valentin V.; Voloshin, Yan Z.","Molecular design of cage iron(ii) and cobalt(ii,iii) complexes with a second fluorine-enriched superhydrophobic shell.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3773","3784","10.1039/c4dt03628j","","","0.71073","MoKα","","0.1593","0.0748","","","0.1259","0.1499","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033753","34.299","0.005","8.1151","0.0012","27.97","0.004","90","","119.218","0.003","90","","6794.6","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 B2 F52 Fe N6 O6 S6 -","- C60 B2 F52 Fe N6 O6 S6 -","- C240 B8 F208 Fe4 N24 O24 S24 -","4","0.5","","Belov, Alexander S.; Zelinskii, Genrikh E.; Varzatskii, Oleg A.; Belaya, Irina G.; Vologzhanina, Anna V.; Dolganov, Alexander V.; Novikov, Valentin V.; Voloshin, Yan Z.","Molecular design of cage iron(ii) and cobalt(ii,iii) complexes with a second fluorine-enriched superhydrophobic shell.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3773","3784","10.1039/c4dt03628j","","","0.71073","MoKα","","0.1211","0.0794","","","0.1767","0.2021","","","","","","1.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7033754","34.529","0.004","8.1068","0.0011","28.045","0.004","90","","119.062","0.003","90","","6861.9","1.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 B2 Co F53 N6 O6 S6 -","- C60 B2 Co F53 N6 O6 S6 -","- C240 B8 Co4 F212 N24 O24 S24 -","4","0.5","","Belov, Alexander S.; Zelinskii, Genrikh E.; Varzatskii, Oleg A.; Belaya, Irina G.; Vologzhanina, Anna V.; Dolganov, Alexander V.; Novikov, Valentin V.; Voloshin, Yan Z.","Molecular design of cage iron(ii) and cobalt(ii,iii) complexes with a second fluorine-enriched superhydrophobic shell.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3773","3784","10.1039/c4dt03628j","","","0.71073","MoKα","","0.0605","0.0481","","","0.1203","0.1295","","","","","","1.028","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033755","13.3364","0.0013","14.2292","0.0013","16.1096","0.0016","74.782","0.002","80.604","0.003","77.766","0.003","2864","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 B2 Co3 F70 N12 O12 S12 -","- C96 B2 Co3 F70 N12 O12 S12 -","- C96 B2 Co3 F70 N12 O12 S12 -","1","0.5","","Belov, Alexander S.; Zelinskii, Genrikh E.; Varzatskii, Oleg A.; Belaya, Irina G.; Vologzhanina, Anna V.; Dolganov, Alexander V.; Novikov, Valentin V.; Voloshin, Yan Z.","Molecular design of cage iron(ii) and cobalt(ii,iii) complexes with a second fluorine-enriched superhydrophobic shell.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3773","3784","10.1039/c4dt03628j","","","0.71073","MoKα","","0.1896","0.0685","","","0.0983","0.1306","","","","","","0.992","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033756","11.3594","0.0009","14.5809","0.0012","14.5984","0.0012","75.895","0.002","78.581","0.002","82.601","0.002","2290.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H11 F10 O2 P Pd -","- C23 H11 F10 O2 P Pd -","- C92 H44 F40 O8 P4 Pd4 -","4","2","","Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.","Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3367","3377","10.1039/c4dt03268c","","","0.71073","MoKα","","0.0479","0.0309","","","0.0632","0.0677","","","","","","1.03","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033757","10.9599","0.0016","18.571","0.003","22.21","0.003","90","","90.025","0.003","90","","4520.5","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H22 F20 O4 P2 Pd2 -","- C46 H22 F20 O4 P2 Pd2 -","- C184 H88 F80 O16 P8 Pd8 -","4","1","","Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.","Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3367","3377","10.1039/c4dt03268c","","","0.71073","MoKα","","0.0845","0.0457","","","0.0755","0.085","","","","","","0.993","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033758","13.6907","0.001","11.8192","0.0009","25.115","0.002","90","","92.097","0.002","90","","4061.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.52 H30.36 F10 O2 P2 Pd -","- C44.516 H30.36 F10 O2 P2 Pd -","- C178.064 H121.44 F40 O8 P8 Pd4 -","4","1","","Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.","Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3367","3377","10.1039/c4dt03268c","","","0.71073","MoKα","","0.0492","0.0348","","","0.0779","0.083","","","","","","1.048","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033759","15.797","0.003","12.955","0.003","16.382","0.003","90","","90","","90","","3352.6","1.2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H22 Br2 F8 P2 Pd -","- C36 H22 Br2 F8 P2 Pd -","- C144 H88 Br8 F32 P8 Pd4 -","4","0.5","","Kar, Gopa; Privér, Steven H; Jones, Lathe A.; Guo, Si-Xuan; Torriero, Angel A. J.; Bond, Alan M.; Bennett, Martin A.; Bhargava, Suresh K.","Cyclopalladated complexes containing 2-C6R4PPh2 ligands (R = H, F): one-electron electrochemical reduction leading to metal-carbon σ-bond cleavage via palladium(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3367","3377","10.1039/c4dt03268c","","","0.71073","MoKα","","0.0583","0.0314","","","0.0683","0.0738","","","","","","1.037","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033760","15.281","0.003","23.918","0.005","15.657","0.003","90","","107.63","0.03","90","","5454","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 In2 N7 Ni O4 S8 Sn2 -","- C36 H24 In2 N6 Ni S8 Sn2 -","- C144 H96 In8 N24 Ni4 S32 Sn8 -","4","1","","Wu, Jing; Pu, Ya-Yang; Zhao, Xiao-Wei; Qian, Li-Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Photo-electroactive ternary chalcogenido-indate-stannates with a unique 2-D porous structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4520","4525","10.1039/c4dt03333g","","","0.71073","MoKα","","0.0733","0.0552","","","0.1502","0.1652","","","","","","0.937","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033761","15.574","0.003","24.083","0.005","15.804","0.003","90","","107.11","0.03","90","","5665","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 In2 N7 Ni O4 Se8 Sn2 -","- C36 H24 In2 N6 Ni Se8 Sn2 -","- C144 H96 In8 N24 Ni4 Se32 Sn8 -","4","1","","Wu, Jing; Pu, Ya-Yang; Zhao, Xiao-Wei; Qian, Li-Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Photo-electroactive ternary chalcogenido-indate-stannates with a unique 2-D porous structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4520","4525","10.1039/c4dt03333g","","","0.71073","MoKα","","0.1391","0.0816","","","0.1348","0.1504","","","","","","1.173","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033762","15.13","0.003","23.728","0.005","15.45","0.003","90","","107.46","0.03","90","","5291","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Fe In2 N7 O2 S8 Sn2 -","- C36 H24 Fe In2 N6 S8 Sn2 -","- C144 H96 Fe4 In8 N24 S32 Sn8 -","4","1","","Wu, Jing; Pu, Ya-Yang; Zhao, Xiao-Wei; Qian, Li-Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Photo-electroactive ternary chalcogenido-indate-stannates with a unique 2-D porous structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4520","4525","10.1039/c4dt03333g","","","0.71073","MoKα","","0.1027","0.0798","","","0.1407","0.1505","","","","","","1.059","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033763","15.61","0.003","24.238","0.005","15.828","0.003","90","","107.04","0.03","90","","5726","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Co In2 N7 O4 Se8 Sn2 -","- C36 H24 Co In2 N6 Se8 Sn2 -","- C144 H96 Co4 In8 N24 Se32 Sn8 -","4","1","","Wu, Jing; Pu, Ya-Yang; Zhao, Xiao-Wei; Qian, Li-Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Photo-electroactive ternary chalcogenido-indate-stannates with a unique 2-D porous structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4520","4525","10.1039/c4dt03333g","","","0.71073","MoKα","","0.1215","0.0918","","","0.182","0.1955","","","","","","1.112","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033764","8.4242","0.0003","27.2768","0.0009","9.1772","0.0003","90","","110.536","0.002","90","","1974.78","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 N4 Zr -","- C16 H28 Cl2 N4 Zr -","- C64 H112 Cl8 N16 Zr4 -","4","1","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0408","0.0349","","","0.1253","0.1331","","","","","","1.065","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033765","9.912","0.002","17.585","0.004","13.398","0.003","90","","110.178","0.003","90","","2192","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 Cl2 N4 Zr -","- C18 H32 Cl2 N4 Zr -","- C72 H128 Cl8 N16 Zr4 -","4","2","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0272","0.0249","","","0.0583","0.0595","","","","","","1.041","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033766","15.9174","0.0004","10.676","0.0003","14.1935","0.0006","90","","116.042","0.001","90","","2167.08","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl2 N2 O2 Zr -","- C20 H28 Cl2 N2 O2 Zr -","- C80 H112 Cl8 N8 O8 Zr4 -","4","0.5","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0326","0.0305","","","0.0795","0.0816","","","","","","1.111","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033767","10.1189","0.0001","13.5588","0.0002","14.7171","0.0002","90","","90","","90","","2019.19","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 Al Cl2 N2 Zr -","- C17 H27 Al Cl2 N2 Zr -","- C68 H108 Al4 Cl8 N8 Zr4 -","4","1","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0229","0.0213","","","0.0527","0.0537","","","","","","1.052","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033768","10.362","0.002","13.598","0.003","28.407","0.007","90","","90","","90","","4002.6","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 Hf N2 -","- C44 H56 Hf N2 -","- C176 H224 Hf4 N8 -","4","1","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0607","0.0437","","","0.1076","0.1241","","","","","","1.042","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033769","10.083","0.004","15.939","0.007","11.976","0.005","90","","98.764","0.011","90","","1902.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O S2 -","- C21 H20 N2 O S2 -","- C84 H80 N8 O4 S8 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Chen, Jun-Feng; Ward, Michael D.","Heteroleptic Ir(iii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene: structures, luminescence and photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4289","4296","10.1039/c4dt03973d","","","0.71073","MoKα","","0.157","0.0627","","","0.1044","0.1229","","","","","","1.016","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033770","11.5307","0.0013","12.7677","0.0014","18.229","0.002","103.512","0.002","92.109","0.002","111.527","0.002","2405","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O S2 -","- C27 H24 N2 O S2 -","- C108 H96 N8 O4 S8 -","4","2","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Chen, Jun-Feng; Ward, Michael D.","Heteroleptic Ir(iii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene: structures, luminescence and photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4289","4296","10.1039/c4dt03973d","","","0.71073","MoKα","","0.1162","0.0588","","","0.1687","0.2153","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033771","16.885","0.006","11.685","0.004","21.931","0.008","90","","95.95","0.006","90","","4304","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 F4 Ir N4 O3 S2 -","- C45 H39 F4 Ir N4 O3 S2 -","- C180 H156 F16 Ir4 N16 O12 S8 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Chen, Jun-Feng; Ward, Michael D.","Heteroleptic Ir(iii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene: structures, luminescence and photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4289","4296","10.1039/c4dt03973d","","","0.71073","MoKα","","0.0923","0.0757","","","0.217","0.2423","","","","","","1.089","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033772","13.1823","0.0005","24.5037","0.001","14.8078","0.0006","90","","114.896","0.001","90","","4338.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F4 Ir N4 O S2 -","- C49 H35 F4 Ir N4 O S2 -","- C196 H140 F16 Ir4 N16 O4 S8 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Chen, Jun-Feng; Ward, Michael D.","Heteroleptic Ir(iii) complexes based on 2-(2,4-difluorophenyl)-pyridine and bisthienylethene: structures, luminescence and photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","4289","4296","10.1039/c4dt03973d","","","0.71073","MoKα","","0.083","0.0466","","","0.1289","0.1472","","","","","","1.001","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033773","15.754","0.002","15.754","0.002","19.585","0.003","90","","90","","90","","4860.8","1.1","223","","223","","","","","","","","","7","I -4","I -4","82","","","","- C48 H117.71 B8 F32 N28 Ni4 O17.35 -","- C48 H108 B8 F32 N28 Ni4 O17.35 -","- C96 H216 B16 F64 N56 Ni8 O34.7 -","2","0.25","","Miyake, Ryosuke; Kuwata, Chika; Masumoto, Yui","Selective CO2 gas adsorption in the narrow crystalline cavities of flexible peptide metallo-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2993","2996","10.1039/c4dt03530e","","","0.71073","MoKα","","0.0754","0.062","","","0.1646","0.1742","","","","","","1.043","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033774","15.7784","0.0006","15.7784","0.0006","19.7467","0.0015","90","","90","","90","","4916.1","0.5","193","","193","","","","","","","","","7","I -4","I -4","82","","","","- C48 H127.61 B8 F32 N28 Ni4 O22.3 -","- C48 H108 B8.002 F32.004 N28 Ni4 O22.305 -","- C96 H216 B16.004 F64.008 N56 Ni8 O44.61 -","2","0.25","","Miyake, Ryosuke; Kuwata, Chika; Masumoto, Yui","Selective CO2 gas adsorption in the narrow crystalline cavities of flexible peptide metallo-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","2993","2996","10.1039/c4dt03530e","","","0.71073","MoKα","","0.0402","0.0377","","","0.1105","0.1125","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033775","7.747","0.0015","15.44","0.003","15.074","0.003","90","","96.68","0.03","90","","1790.8","0.6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 N14 -","- C32 H52 N14 -","- C64 H104 N28 -","2","0.5","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.0827","0.0588","","","0.1407","0.153","","","","","","1.048","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033776","7.885","0.0016","13.54","0.003","18.573","0.004","103.13","0.03","90.59","0.03","92.6","0.03","1928.6","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H57 N13 -","- C35 H57 N13 -","- C70 H114 N26 -","2","1","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.1141","0.0673","","","0.1721","0.1991","","","","","","1.031","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033777","10.558","0.002","23.182","0.005","22.678","0.005","90","","90.44","0.03","90","","5550","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl2 N9 Zn -","- C24 H33 Cl2 N9 Zn -","- C192 H264 Cl16 N72 Zn8 -","8","4","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.05","0.0388","","","0.0938","0.1013","","","","","","1.035","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033778","15.9","0.003","9.21","0.0018","16.379","0.003","90","","94.82","0.03","90","","2390","0.8","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H34 N8 O2 -","- C22 H34 N8 O2 -","- C88 H136 N32 O8 -","4","1","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.1055","0.091","","","0.2642","0.2687","","","","","","1.095","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033779","8.10458","0.00013","30.8148","0.0004","8.16009","0.00013","90","","94.082","0.0016","90","","2032.74","0.05","110","1","110","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 B2 F8 N14 -","- C32 H54 B2 F8 N14 -","- C64 H108 B4 F16 N28 -","2","0.5","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","x-ray","1.5418","CuKα","","0.0469","0.0374","","","0.0941","0.0998","","","","","","1.045","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033780","17.629","0.004","18.298","0.004","18.587","0.004","90.87","0.03","104.98","0.03","108.66","0.03","5456","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68.7 H113.4 Cl19.4 N28 Zn5 -","- C68.7 H113.4 Cl19.4 N28 Zn5 -","- C137.4 H226.8 Cl38.8 N56 Zn10 -","2","1","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.0849","0.0633","","","0.1829","0.197","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033781","13.162","0.003","13.499","0.003","16.472","0.003","90","","108.3","0.03","90","","2778.6","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Cl12 N14 Zn2 -","- C36 H60 Cl12 N14 Zn2 -","- C72 H120 Cl24 N28 Zn4 -","2","0.5","","Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3467","3485","10.1039/c4dt03572k","","","0.71073","MoKα","","0.0844","0.0446","","","0.1116","0.1281","","","","","","1.053","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033782","14.3","0.004","14.3","0.004","14.983","0.004","90","","90","","90","","3063.9","1.5","307","2","307","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C12 H11 Fe3 N9 O24.5 -","- C12 H11 Fe3 N9 O24.5 -","- C48 H44 Fe12 N36 O98.0002 -","4","","","Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit","Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3949","3953","10.1039/c4dt03575e","","","0.71073","MoKα","","0.0646","0.0521","","","0.1511","0.1593","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033783","14.204","0.0009","14.204","0.0009","15.0369","0.001","90","","90","","90","","3033.7","0.3","307","2","307","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C12 H15 Co3 N9 O24.5 -","- C12 H15 Co3 N9 O24.4999 -","- C48 H60 Co12 N36 O97.9996 -","4","","","Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit","Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3949","3953","10.1039/c4dt03575e","","","0.71073","MoKα","","0.107","0.0572","","","0.1681","0.1943","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033784","17.517","0.004","16.564","0.003","21.725","0.004","90","","107.24","0.03","90","","6020","2","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C45 H90 Mo6 N4 O19 -","- C45 H90 Mo6 N4 O19 -","- C180 H360 Mo24 N16 O76 -","4","1","","Khan, Rao Naumaan Nasim; Lv, Chunlin; Zhang, Jin; Hao, Jian; Wei, Yongge","N-alkylation of organo-imido substituted polyoxometalates: an efficient and stoichiometric approach for the easy post-modification of polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4568","4575","10.1039/c4dt03637a","","","0.71073","MoKα","","0.0479","0.0404","","","0.082","0.0867","","","","","","1.011","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033785","12.166","0.002","18.354","0.004","25.684","0.005","88.38","0.03","86.07","0.03","89.3","0.03","5719","1.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H74.5 Mo6 N4.5 O21 -","- C41.5 H74.5 Mo6 N4.5 O21 -","- C166 H298 Mo24 N18 O84 -","4","2","","Khan, Rao Naumaan Nasim; Lv, Chunlin; Zhang, Jin; Hao, Jian; Wei, Yongge","N-alkylation of organo-imido substituted polyoxometalates: an efficient and stoichiometric approach for the easy post-modification of polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4568","4575","10.1039/c4dt03637a","","","0.71073","MoKα","","0.0802","0.0463","","","0.1068","0.123","","","","","","1.138","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7033786","11.309","0.002","11.723","0.002","18.475","0.004","78.78","0.03","88.2","0.03","66.84","0.03","2206.1","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H59 Mo6 N3 O19 -","- C32 H59 Mo6 N3 O19 -","- C64 H118 Mo12 N6 O38 -","2","1","","Khan, Rao Naumaan Nasim; Lv, Chunlin; Zhang, Jin; Hao, Jian; Wei, Yongge","N-alkylation of organo-imido substituted polyoxometalates: an efficient and stoichiometric approach for the easy post-modification of polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4568","4575","10.1039/c4dt03637a","","","0.71073","MoKα","","0.0589","0.0366","","","0.0731","0.0809","","","","","","1.008","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7033787","16.734","0.003","18.644","0.004","22.013","0.004","114.53","0.03","92.62","0.03","99.6","0.03","6110","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C99 H104 Ag6 Cl2 F12 N24 O16.5 S6 -","- C99 H104 Ag6 Cl2 F12 N24 O16.5 S6 -","- C198 H208 Ag12 Cl4 F24 N48 O33 S12 -","2","1","","Chen, Hang-Qing; He, Xin; Guo, Hui; Fu, Nan-Yan; Zhao, Liang","Designed synthesis of size-tunable Ag2S nanoclusters via distinguishable C-S bond cleavage reaction of alkyl- and aryl-thiolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3963","3966","10.1039/c4dt04021j","","","0.71073","MoKα","","0.1221","0.1132","","","0.3048","0.3142","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033788","9.869","0.002","14.777","0.003","19.741","0.004","109.94","0.03","91.21","0.03","99.21","0.03","2662.5","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Ag4 F9 N12 O9 S4 -","- C43 H45 Ag4 F9 N12 O9 S4 -","- C86 H90 Ag8 F18 N24 O18 S8 -","2","1","","Chen, Hang-Qing; He, Xin; Guo, Hui; Fu, Nan-Yan; Zhao, Liang","Designed synthesis of size-tunable Ag2S nanoclusters via distinguishable C-S bond cleavage reaction of alkyl- and aryl-thiolates.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3963","3966","10.1039/c4dt04021j","","","0.71073","MoKα","","0.0527","0.0479","","","0.1295","0.1435","","","","","","1.122","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033789","10.8059","0.0004","11.9323","0.0004","11.9508","0.0004","72.469","0.002","75.151","0.002","70.359","0.002","1363.09","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H43 Ag N2 Si3 -","- C19 H43 Ag N2 Si3 -","- C38 H86 Ag2 N4 Si6 -","2","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0278","0.0273","","","0.0737","0.0742","","","","","","1.084","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033790","32.007","0.0009","8.804","0.0002","22.56","0.0007","90","","132.078","0.001","90","","4718.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H35 Cu N2 Si4 -","- C14 H35 Cu N2 Si4 -","- C112 H280 Cu8 N16 Si32 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0777","0.0535","","","0.1054","0.1172","","","","","","1.089","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033791","32.405","0.0008","8.745","0.0002","23.082","0.0006","90","","132.996","0.001","90","","4784.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H35 Ag N2 Si4 -","- C14 H35 Ag N2 Si4 -","- C112 H280 Ag8 N16 Si32 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0684","0.0604","","","0.1403","0.1446","","","","","","1.193","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033792","9.7847","0.0004","16.8005","0.0007","20.3185","0.0008","90","","118.196","0.002","90","","2943.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H47 Cu N2 Si4 -","- C20 H47 Cu N2 Si4 -","- C80 H188 Cu4 N8 Si16 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0345","0.0301","","","0.0805","0.0839","","","","","","1.036","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033793","9.7854","0.0004","16.917","0.0007","20.6366","0.0007","90","","118.306","0.001","90","","3007.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H47 Ag N2 Si4 -","- C20 H47 Ag N2 Si4 -","- C80 H188 Ag4 N8 Si16 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0262","0.0251","","","0.0655","0.0663","","","","","","1.055","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033794","20.7709","0.001","9.2426","0.0004","21.9292","0.001","90","","103.296","0.002","90","","4097.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Cu2 N4 Si6 -","- C26 H62 Cu2 N4 Si6 -","- C104 H248 Cu8 N16 Si24 -","4","0.5","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0529","0.0478","","","0.1341","0.1391","","","","","","1.042","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033795","12.921","0.0005","14.106","0.0005","14.567","0.0004","90","","92.34","0.002","90","","2652.82","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cu N4 Si3 -","- C18 H39 Cu N4 Si3 -","- C72 H156 Cu4 N16 Si12 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.1061","0.0648","","","0.1305","0.1504","","","","","","1.086","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033796","10.7614","0.0005","11.7907","0.0005","11.9641","0.0005","73.042","0.002","75.264","0.002","69.343","0.002","1339.1","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H43 Cu N2 Si3 -","- C19 H43 Cu N2 Si3 -","- C38 H86 Cu2 N4 Si6 -","2","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0346","0.0334","","","0.0907","0.0922","","","","","","1.062","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033797","18.399","0.0007","19.495","0.0008","27.347","0.001","90","","90","","90","","9809.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H74 Cu2 N4 Si8 -","- C32 H74 Cu2 N4 Si8 -","- C256 H592 Cu16 N32 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0868","0.0592","","","0.094","0.1034","","","","","","1.188","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033798","19.9568","0.0013","12.5634","0.0008","18.0525","0.0012","90","","97.617","0.003","90","","4486.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H66 Cu2 N4 Si8 -","- C26 H66 Cu2 N4 Si8 -","- C104 H264 Cu8 N16 Si32 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0354","0.0321","","","0.0878","0.0911","","","","","","1.03","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033799","13.123","0.0003","13.736","0.0007","22.358","0.0004","90","","90","","90","","4030.2","0.2","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C22 H60 Ag2 N2 Si8 -","- C22 H60 Ag2 N2 Si8 -","- C88 H240 Ag8 N8 Si32 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0681","0.0556","","","0.1098","0.1175","","","","","","1.16","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033800","14.017","0.0004","21.779","0.0005","19.356","0.0006","90","","121.638","0.0014","90","","5030.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H74 Ag2 N4 Si8 -","- C32 H74 Ag2 N4 Si8 -","- C128 H296 Ag8 N16 Si32 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.102","0.0683","","","0.1051","0.1159","","","","","","1.195","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033801","19.6672","0.0008","18.8226","0.0006","23.8417","0.0009","90","","90","","90","","8825.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H62 Cu2 N2 Si8 -","- C28 H62 Cu2 N2 Si8 -","- C224 H496 Cu16 N16 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.045","0.0346","","","0.0902","0.0978","","","","","","1.021","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033802","19.7039","0.0009","18.9384","0.0009","24.2994","0.001","90","","90","","90","","9067.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H62 Ag2 N2 Si8 -","- C28 H62 Ag2 N2 Si8 -","- C224 H496 Ag16 N16 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0335","0.0278","","","0.0716","0.0757","","","","","","1.038","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033803","6.5412","0.0007","9.4943","0.0011","10.1892","0.0012","68.605","0.001","75.638","0.001","83.364","0.002","570.55","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Cl N6 O8 Rh -","- C16 H36 Cl N6 O8 Rh -","- C16 H36 Cl N6 O8 Rh -","1","0.5","","Hull, Emily A.; West, Aaron C.; Pestovsky, Oleg; Kristian, Kathleen E.; Ellern, Arkady; Dunne, James F.; Carraher, Jack M.; Bakac, Andreja; Windus, Theresa L.","UV-visible spectroscopy of macrocyclic alkyl, nitrosyl and halide complexes of cobalt and rhodium. Experiment and calculation.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3811","3816","10.1039/c4dt03143a","","","0.71073","MoKα","","0.0314","0.0309","","","0.0807","0.0812","","","","","","1.062","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033804","13.6896","0.0008","14.3617","0.0008","23.8509","0.0012","90.066","0.003","91.336","0.003","104.659","0.003","4535.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 Cl2 N2 O4.5 Pt -","- C20 H25 Cl2 N2 O4.5 Pt -","- C160 H200 Cl16 N16 O36 Pt8 -","8","4","","Scattergood, Paul A.; Jesus, Patricia; Adams, Harry; Delor, Milan; Sazanovich, Igor V.; Burrows, Hugh D.; Serpa, Carlos; Weinstein, Julia A.","Exploring excited states of Pt(ii) diimine catecholates for photoinduced charge separation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11705","11716","10.1039/c4dt03466j","","","0.71073","MoKα","","0.066","0.0409","","","0.0775","0.0876","","","","","","1.011","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7033805","6.6241","0.0003","10.9966","0.0004","17.2394","0.0007","100.02","0.001","95.633","0.001","101.847","0.001","1198.53","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O7 Pt -","- C24 H26 N2 O7 Pt -","- C48 H52 N4 O14 Pt2 -","2","1","","Scattergood, Paul A.; Jesus, Patricia; Adams, Harry; Delor, Milan; Sazanovich, Igor V.; Burrows, Hugh D.; Serpa, Carlos; Weinstein, Julia A.","Exploring excited states of Pt(ii) diimine catecholates for photoinduced charge separation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11705","11716","10.1039/c4dt03466j","","","0.71073","MoKα","","0.0232","0.0213","","","0.0633","0.0699","","","","","","1.146","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033806","14.1335","0.0009","3.9687","0.0003","17.0383","0.0012","90","","117.486","0.004","90","","847.83","0.11","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Cd Cl2 N6 S2 -","- C12 H10 Cd Cl2 N6 S2 -","- C24 H20 Cd2 Cl4 N12 S4 -","2","0.5","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0202","0.0192","","","0.0546","0.0553","","","","","","1.171","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033807","10.45","0.002","9.5557","0.0019","13.278","0.003","90","","90","","90","","1325.9","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H7 Cd N5 S3 -","- C8 H5 Cd N5 S3 -","- C32 H20 Cd4 N20 S12 -","4","0.5","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0376","0.0339","","","0.0778","0.0794","","","","","","1.112","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033808","5.9343","0.0012","8.7361","0.0017","10.178","0.002","107","0.03","105.4","0.03","101.23","0.03","464.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cd Cl2 N4 S2 -","- C10 H24 Cd Cl2 N4 S2 -","- C10 H24 Cd Cl2 N4 S2 -","1","0.5","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0331","0.0315","","","0.0806","0.0882","","","","","","1.187","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033809","17.0284","0.0014","13.261","0.0008","17.1968","0.0009","90","","90","","90","","3883.3","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H46 Cd2 N6 O4 S4 -","- C24 H46 Cd2 N6 O4 S4 -","- C96 H184 Cd8 N24 O16 S16 -","4","1","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.0399","0.0324","","","0.074","0.0805","","","","","","1.091","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033810","15.3979","0.0008","11.5941","0.0008","12.5879","0.0008","90","","93.862","0.004","90","","2242.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Cd3 Cl6 N4 S2 -","- C8 H18 Cd3 Cl6 N4 S2 -","- C32 H72 Cd12 Cl24 N16 S8 -","4","0.5","","Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing","New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5095","5105","10.1039/c4dt03799e","","","0.71073","MoKα","","0.044","0.0421","","","0.1005","0.1028","","","","","","1.187","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033811","18.9809","0.0012","18.9809","0.0012","17.5707","0.0012","90","","90","","90","","6330.3","0.7","100","2","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H29 Cu2 N3 O13 -","- C20 H29 Cu2 N3 O13 -","- C160 H232 Cu16 N24 O104 -","8","1","","Karmakar, Anirban; Oliver, Clive L.; Roy, Somnath; Öhrström, Lars","The synthesis, structure, topology and catalytic application of a novel cubane-based copper(ii) metal-organic framework derived from a flexible amido tripodal acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10156","10165","10.1039/c4dt03087g","","","0.71073","MoKα","","0.0775","0.0566","","","0.1588","0.1712","","","","","","1.047","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033812","19.5092","0.0004","14.9489","0.0002","22.5356","0.0004","90","","98.24","0.002","90","","6504.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H149 Fe2 Mn4 N25 O20 -","- C136 H140 Fe2 Mn4 N25 O20 -","- C272 H280 Fe4 Mn8 N50 O40 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0475","0.0399","","","0.0963","0.1005","","","","","","1.025","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033813","19.5297","0.0005","14.9492","0.0004","22.5824","0.0005","90","","98.188","0.002","90","","6525.8","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H149 Fe2 Mn4 N25 O20 -","- C136 H140 Fe2 Mn4 N25 O20 -","- C272 H280 Fe4 Mn8 N50 O40 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0853","0.0614","","","0.1322","0.1459","","","","","","1.015","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033814","10.2833","0.0016","13.8961","0.0018","18.0725","0.0012","79.813","0.008","85.233","0.008","68.301","0.013","2361.3","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H104 Cu2 Fe2 N26 O7 -","- C76 H90 Cu2 Fe2 N26 O7 -","- C76 H90 Cu2 Fe2 N26 O7 -","1","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.1088","0.0746","","","0.2114","0.2477","","","","","","1.051","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033815","10.2968","0.0006","13.7993","0.0008","17.7819","0.0009","80.207","0.004","84.697","0.004","69.378","0.005","2328.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H112 Cu2 Fe2 N26 O11 -","- C76 H104 Cu2 Fe2 N26 O11 -","- C76 H104 Cu2 Fe2 N26 O11 -","1","1","","Zhang, Daopeng; Zhuo, Shuping; Zhang, Hongyan; Wang, Ping; Jiang, Jianzhuang","Synthesis, crystal structures and magnetic properties of mer-cyanideiron(iii)-based 1D heterobimetallic cyanide-bridged chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4655","4664","10.1039/c4dt03274h","","","0.71073","MoKα","","0.0888","0.0658","","","0.1646","0.1804","","","","","","1.025","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033816","20.777","0.005","20.777","0.005","13.715","0.005","90","0.005","90","0.005","90","0.005","5921","3","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C62 H54 Cu5 N23 O6 -","- C62 H54 Cu5 N23 O6 -","- C248 H216 Cu20 N92 O24 -","4","0.25","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Shao, Kui-Zhan; Su, Zhong-Min","The copper(i) metal azolate framework showing unusual coordination mode for the 1,2,4-triazole derivative and photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","9","3954","3958","10.1039/c4dt03933e","","","0.71069","MoKα","","0.0944","0.0772","","","0.1875","0.1995","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033817","12.7684","0.0003","11.8653","0.0003","22.2188","0.0005","90","","105.329","0.002","90","","3246.41","0.14","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Co Cu N8 O11 Tb -","- C25 H34 Co Cu N8 O11 Tb -","- C100 H136 Co4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","1.54178","CuKα","","0.0395","0.0367","","","0.1006","0.1043","","","","","","1.03","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033818","13.0818","0.0003","12.1299","0.0002","22.1408","0.0005","90","","105.479","0.002","90","","3385.89","0.13","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cr Cu N8 O11 Tb -","- C25 H34 Cr Cu N8 O11 Tb -","- C100 H136 Cr4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0445","0.0339","","","0.0865","0.0988","","","","","","1.046","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033819","12.8562","0.0003","11.9304","0.0003","22.1909","0.0005","90","","105.493","0.002","90","","3279.95","0.14","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cu Fe N8 O11 Tb -","- C25 H34 Cu Fe N8 O11 Tb -","- C100 H136 Cu4 Fe4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0337","0.0273","","","0.0712","0.0804","","","","","","1.069","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033820","25.5005","0.0006","11.9284","0.0003","22.7251","0.0006","90","","108.726","0.002","90","","6546.6","0.3","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Co Cu N8 O11.5 Tb -","- C24 H33 Co Cu N8 O11.5 Tb -","- C192 H264 Co8 Cu8 N64 O92 Tb8 -","8","2","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.039","0.0282","","","0.0623","0.0702","","","","","","1.059","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7033821","26.0774","0.0005","12.0578","0.0002","22.9454","0.0004","90","","108.621","0.002","90","","6837.2","0.2","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cr Cu N8 O11.5 Tb -","- C24 H33 Cr Cu N8 O11.5 Tb -","- C192 H264 Cr8 Cu8 N64 O92 Tb8 -","8","2","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0417","0.0277","","","0.0613","0.0679","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033822","25.6467","0.0006","11.9352","0.0003","22.8151","0.0006","90","","108.669","0.002","90","","6616.2","0.3","200","1","200","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cu Fe N8 O11.5 Tb -","- C24 H33 Cu Fe N8 O11.5 Tb -","- C192 H264 Cu8 Fe8 N64 O92 Tb8 -","8","2","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0418","0.0289","","","0.0631","0.0722","","","","","","1.078","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033823","12.9082","0.0003","14.971","0.0004","16.9463","0.0004","90","","90","","90","","3274.85","0.14","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Co Cu N8 O11 Tb -","- C25 H34 Co Cu N8 O11 Tb -","- C100 H136 Co4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0166","0.0146","","","0.0331","0.0339","","","","","","1.053","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033824","13.2421","0.0003","15.1115","0.0004","17.036","0.0004","90","","90","","90","","3409.04","0.14","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cr Cu N8 O11 Tb -","- C25 H34 Cr Cu N8 O11 Tb -","- C100 H136 Cr4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0353","0.0267","","","0.0486","0.051","","","","","","1.011","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033825","20.1477","0.0013","23.7476","0.0015","26.2977","0.0017","102.561","0.001","91.321","0.001","108.81","0.001","11566.1","1.3","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C164 H469 Fe N40 Ni4 O331 P8 W68 -","- C96 Fe N27 Ni4 O290 P8 W68 -","- C96 Fe N27 Ni4 O290 P8 W68 -","1","0.5","","Wang, Ya; Sun, Ming-Hui; Li, Feng-Yan; Sun, Zhi-Xia; Xu, Lin","Assembly of cyanometalate-functionalized phosphotungstates with magnetic properties and bifunctional electrocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4504","4511","10.1039/c4dt03447c","","","0.71073","MoKα","","0.1183","0.0677","","","0.153","0.1657","","","","","","1.005","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033826","20.1703","0.0018","23.707","0.002","26.305","0.003","102.56","0.002","91.503","0.002","108.559","0.002","11576.9","1.9","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C158 H446 Co4 Fe N39 O324 P8 W68 -","- C88 Co4 Fe N25 O282.6 P8 W68 -","- C88 Co4 Fe N25 O282.6 P8 W68 -","1","0.5","","Wang, Ya; Sun, Ming-Hui; Li, Feng-Yan; Sun, Zhi-Xia; Xu, Lin","Assembly of cyanometalate-functionalized phosphotungstates with magnetic properties and bifunctional electrocatalytic activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4504","4511","10.1039/c4dt03447c","","","0.71073","MoKα","","0.1466","0.0829","","","0.1924","0.2099","","","","","","1.004","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033827","10.42821","0.00012","13.19862","0.00015","6.47634","0.00008","90","","90","","90","","891.39","0.018","293","","293","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Fe Na2 Ni2 O12 P3 -","- Fe Na2 Ni2 O12 P3 -","- Fe4 Na8 Ni8 O48 P12 -","4","0.25","","Essehli, R.; Belharouak, I.; Ben Yahia, H.; Chamoun, R.; Orayech, B.; El Bali, B.; Bouziane, K.; Zhou, X. L.; Zhou, Z.","α-Na2Ni2Fe(PO4)3: a dual positive/negative electrode material for sodium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4526","4532","10.1039/c5dt00021a","powder diffraction","x-ray","1.5418","","","0.0675","0.0556","","0.0447","0.0436","","","","1.15","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033828","25.618","0.005","17.04","0.003","4.4322","0.0009","90","","99.96","0.03","90","","1905.6","0.7","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C21 H12 Cu3 N3 O15 P3 -","- C21 H12 Cu3 N3 O15 P3 -","- C42 H24 Cu6 N6 O30 P6 -","2","0.5","","Hermer, N.; Stock, N.","The new triazine-based porous copper phosphonate [Cu3(PPT)(H2O)3]·10H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3720","3723","10.1039/c4dt03698k","","","0.6889","","","0.0532","0.05","","","0.1436","0.1521","","","","","","1.091","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033829","35.033","0.005","12.727","0.006","25.692","0.005","90","","109.914","0.005","90","","10770","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 K2 La2 N16 O42 S4 -","- C56 H76 K2 La2 N16 O42 S4 -","- C224 H304 K8 La8 N64 O168 S16 -","4","0.5","","Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Sutradhar, Manas; Kopylovich, Maximilian N.; Huseynov, Fatali E.; Shamilov, Nazim T.; Voronina, Anna A.; Buslaeva, Tatyana M.; Pombeiro, Armando J. L.","Lanthanide derivatives comprising arylhydrazones of β-diketones: cooperative E/Z isomerization and catalytic activity in nitroaldol reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5602","5610","10.1039/c4dt03788j","","","0.71069","MoKα","","0.2057","0.0902","","","0.2058","0.242","","","","","","0.879","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033830","11.2987","0.0005","12.1861","0.0005","23.7103","0.001","76.866","0.002","77.383","0.002","87.504","0.002","3102.4","0.2","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 Cl3 N6 O29 S3 Sm -","- C48 H54 Cl3 N6 O29 S3 Sm -","- C96 H108 Cl6 N12 O58 S6 Sm2 -","2","1","","Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Sutradhar, Manas; Kopylovich, Maximilian N.; Huseynov, Fatali E.; Shamilov, Nazim T.; Voronina, Anna A.; Buslaeva, Tatyana M.; Pombeiro, Armando J. L.","Lanthanide derivatives comprising arylhydrazones of β-diketones: cooperative E/Z isomerization and catalytic activity in nitroaldol reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5602","5610","10.1039/c4dt03788j","","","0.71069","MoKα","","0.1198","0.0827","","","0.2135","0.2354","","","","","","1.033","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033831","18.0525","0.0018","13.4858","0.0013","20.817","0.002","90","","97.379","0.003","90","","5026","0.8","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N4 O5 U -","- C42 H50 N4 O5 U -","- C168 H200 N16 O20 U4 -","4","1","","Maynard, B. A.; Brooks, J. C.; Hardy, E. E.; Easley, C. J.; Gorden, A. E. V.","Synthesis, structural characterization, electronic spectroscopy, and microfluidic detection of Cu(+2) and UO2(+2) [di-tert-butyl-salphenazine] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4428","4430","10.1039/c5dt00106d","","","0.71073","MoKα","","0.0714","0.0548","","","0.1369","0.1428","","","","","","1.051","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033832","9.9751","0.0002","12.663","0.0003","14.8623","0.0003","93.61","0.001","96.835","0.001","98.716","0.001","1836.17","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Cu[Di-tert-butylsal-phenazine]","","","- C42 H48 Cu N4 O2 -","- C42 H48 Cu N4 O2 -","- C84 H96 Cu2 N8 O4 -","2","1","","Maynard, B. A.; Brooks, J. C.; Hardy, E. E.; Easley, C. J.; Gorden, A. E. V.","Synthesis, structural characterization, electronic spectroscopy, and microfluidic detection of Cu(+2) and UO2(+2) [di-tert-butyl-salphenazine] complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4428","4430","10.1039/c5dt00106d","","","0.71073","MoKα","","0.0465","0.0365","","","0.0924","0.0966","","","","","","1.062","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033833","8.6329","0.0002","32.1721","0.0008","12.9756","0.0003","90","","105.072","0.002","90","","3479.85","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H86 B O7 P3 -","- C76 H86 B O7 P3 -","- C152 H172 B2 O14 P6 -","2","1","","Kwak, Jaewoo; Van Nghia, Nguyen; Lee, Junseong; Kim, Hyoseok; Park, Myung Hwan; Lee, Min Hyung","Lewis acidity enhancement of triarylborane by appended phosphine oxide groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4765","4772","10.1039/c5dt00042d","","","0.71073","MoKα","","0.0937","0.0727","","","0.1647","0.1742","","","","","","1.026","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033834","9.1776","0.0009","17.3678","0.0017","18.339","0.0002","90","","93.809","0.011","90","","2916.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ru-Cl","","- C28 H39 Cl2 N4 O2.5 Ru -","- C28 H39 Cl2 N4 O2.5 Ru -","- C112 H156 Cl8 N16 O10 Ru4 -","4","1","","Tripathy, Suman Kumar; Taviti, Ashoka Chary; Dehury, Niranjan; Sahoo, Anupam; Pal, Satyanaryan; Beuria, Tushar Kant; Patra, Srikanta","Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)](+/2+) (X = Cl, H2O; L = bpmo, bpms) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5114","5124","10.1039/c4dt03647f","","","1.5418","CuKα","","0.0715","0.0699","","","0.1826","0.184","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033835","9.5546","0.0004","10.6513","0.0005","15.9201","0.0007","86.556","0.004","87.525","0.003","88.928","0.004","1615.53","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ru_ani_aq","","- C28 H38 Cl2 N4 O10 Ru -","- C28 H38 Cl2 N4 O10 Ru -","- C56 H76 Cl4 N8 O20 Ru2 -","2","1","","Tripathy, Suman Kumar; Taviti, Ashoka Chary; Dehury, Niranjan; Sahoo, Anupam; Pal, Satyanaryan; Beuria, Tushar Kant; Patra, Srikanta","Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)](+/2+) (X = Cl, H2O; L = bpmo, bpms) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5114","5124","10.1039/c4dt03647f","","","0.71073","MoKα","","0.0566","0.0435","","","0.0972","0.1084","","","","","","1.036","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033836","10.3255","0.0008","10.5283","0.0009","15.194","0.0012","93.34","0.002","93.375","0.002","95.141","0.002","1638.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Ru-Thioani_aq","","- C28 H38 F6 N5 O4 P Ru S -","- C28 H38 F6 N5 O4 P Ru S -","- C56 H76 F12 N10 O8 P2 Ru2 S2 -","2","1","","Tripathy, Suman Kumar; Taviti, Ashoka Chary; Dehury, Niranjan; Sahoo, Anupam; Pal, Satyanaryan; Beuria, Tushar Kant; Patra, Srikanta","Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)](+/2+) (X = Cl, H2O; L = bpmo, bpms) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5114","5124","10.1039/c4dt03647f","","","0.71073","MoKα","","0.0731","0.0504","","","0.1221","0.1398","","","","","","1.048","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033837","15.054","0.003","15.565","0.003","17.937","0.004","90","","107.1","0.03","90","","4017.1","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Cl4 Co2 N8 Si2 -","- C33 H48 Cl4 Co2 N8 Si2 -","- C132 H192 Cl16 Co8 N32 Si8 -","4","1","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.0752","0.0633","","","0.1408","0.1496","","","","","","1.097","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033838","15.103","0.003","15.635","0.003","17.934","0.003","90","","106.776","0.002","90","","4054.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Cl4 Fe2 N8 Si2 -","- C33 H48 Cl4 Fe2 N8 Si2 -","- C132 H192 Cl16 Fe8 N32 Si8 -","4","1","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.0562","0.0439","","","0.1109","0.1303","","","","","","1.119","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033839","15.4886","0.0007","19.2519","0.0009","12.1325","0.0005","90","","90","","90","","3617.7","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 Li2 N8 Si2 -","- C32 H46 Li2 N8 Si2 -","- C128 H184 Li8 N32 Si8 -","4","0.5","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.0524","0.0382","","","0.1021","0.1138","","","","","","1.03","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033840","12.856","0.002","7.1985","0.0011","21.868","0.003","90","","102.232","0.002","90","","1977.8","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl2 N4 Ti -","- C19 H22 Cl2 N4 Ti -","- C76 H88 Cl8 N16 Ti4 -","4","1","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.1089","0.0999","","","0.2328","0.2416","","","","","","1.275","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033841","9.3921","0.0019","18.774","0.004","12.411","0.003","90","","111.67","0.03","90","","2033.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl2 N8 Ti2 -","- C36 H38 Cl2 N8 Ti2 -","- C72 H76 Cl4 N16 Ti4 -","2","0.5","","Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia","Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4718","4725","10.1039/c4dt03599b","","","0.71073","MoKα","","0.069","0.0605","","","0.1657","0.1704","","","","","","1.13","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033842","14.5287","0.0005","14.0469","0.0003","15.7245","0.0005","90","","111.798","0.003","90","","2979.65","0.17","298","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl4 Hg2 N8 O2 -","- C28 H20 Cl4 Hg2 N8 O2 -","- C112 H80 Cl16 Hg8 N32 O8 -","4","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5488","5502","10.1039/c4dt03518f","","","0.71073","MoKα","","0.0727","0.0574","","","0.1165","0.1225","","","","","","1.231","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033843","8.1811","0.0004","7.721","0.0003","29.8371","0.0017","90","","93.637","0.004","90","","1880.9","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Hg3 I6 N8 O2 -","- C28 H20 Hg3 I6 N8 O2 -","- C56 H40 Hg6 I12 N16 O4 -","2","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5488","5502","10.1039/c4dt03518f","","","0.71073","MoKα","","0.0745","0.0618","","","0.1584","0.1672","","","","","","1.093","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033844","7.8761","0.0004","7.5061","0.0004","29.2866","0.0014","90","","91.498","0.004","90","","1730.8","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br6 Hg3 N8 O2 -","- C28 H20 Br6 Hg3 N8 O2 -","- C56 H40 Br12 Hg6 N16 O4 -","2","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5488","5502","10.1039/c4dt03518f","","","0.71073","MoKα","","0.0901","0.0595","","","0.1024","0.1121","","","","","","1.107","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033845","3.9332","0.0009","12.278","0.003","14.441","0.003","99.278","0.019","91.024","0.018","92.56","0.02","687.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Br2 Hg N8 O2 -","- C28 H20 Br2 Hg N8 O2 -","- C28 H20 Br2 Hg N8 O2 -","1","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5488","5502","10.1039/c4dt03518f","","","0.71073","MoKα","","0.0952","0.0681","","","0.1405","0.1754","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033846","6.7642","0.0005","7.7232","0.0007","17.7949","0.0015","91.562","0.007","93.79","0.006","113.327","0.006","850.32","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Hg I2 N4 O -","- C14 H10 Hg I2 N4 O -","- C28 H20 Hg2 I4 N8 O2 -","2","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Influence of N-heteroaromatic π-π stacking on supramolecular assembly and coordination geometry; effect of a single-atom change in the ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5488","5502","10.1039/c4dt03518f","","","0.71073","MoKα","","0.0989","0.0901","","","0.1815","0.1918","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033847","24.4452","0.0004","24.4452","0.0004","24.4452","0.0004","90","","90","","90","","14607.7","0.4","173.15","","173.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C106 H177 Ca2 Mn9 N6 O44 -","- C106 H177 Ca2 Mn9 N6 O43.9996 -","- C424 H708 Ca8 Mn36 N24 O175.998 -","4","0.333333","","Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan","Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4431","4435","10.1039/c4dt03459g","","","0.71073","MoKα","","0.1187","0.0892","","","0.2094","0.2423","","","","","","1.118","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033848","14.878","0.003","15.831","0.003","26.221","0.005","93.68","0.002","97.73","0.003","112.599","0.003","5604.4","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H162 Ca2 Mn6 O43 -","- C75 H148 Ca2 Mn6 O43 -","- C150 H296 Ca4 Mn12 O86 -","2","1","","Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan","Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4431","4435","10.1039/c4dt03459g","","","0.71073","MoKα","","0.1148","0.0907","","","0.2389","0.257","","","","","","1.042","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033849","26.486","0.005","30.822","0.006","26.925","0.004","90","","109.39","0.02","90","","20734","7","173.15","","173.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C73 H142 Ca2 Mn6 O42 -","- C73 H142 Ca2 Mn6 O42 -","- C584 H1136 Ca16 Mn48 O336 -","8","1","","Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan","Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4431","4435","10.1039/c4dt03459g","","","0.71073","MoKα","","0.1297","0.1067","","","0.1816","0.1914","","","","","","1.262","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033850","12.914","0.0008","14.2234","0.0007","18.4642","0.0008","104.264","0.003","92.349","0.003","105.81","0.002","3141.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H138 B2 Cl8 Cu2 F8 N16 O4 -","- C124 H138 B2 Cl8 Cu2 F8 N16 O4 -","- C124 H138 B2 Cl8 Cu2 F8 N16 O4 -","1","0.5","","Kauf, Thomas; Rosa, Vitor; Fliedel, Christophe; Pattacini, Roberto; Deibel, Naina; Avilés, Teresa; Sarkar, Biprajit; Braunstein, Pierre","Reactivity of TCNE and TCNQ derivatives of quinonoid zwitterions with Cu(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5441","5450","10.1039/c4dt03956d","","x-ray","0.71073","MoKα","","0.1378","0.0745","","","0.1605","0.202","","","","","","1.044","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033851","14.8235","0.0005","17.2794","0.0007","17.8129","0.0006","92.405","0.002","109.546","0.002","108.388","0.002","4024.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H84 B Cl2 Cu F4 N12 O4 -","- C75 H84 B Cl2 Cu F4 N12 O4 -","- C150 H168 B2 Cl4 Cu2 F8 N24 O8 -","2","1","","Kauf, Thomas; Rosa, Vitor; Fliedel, Christophe; Pattacini, Roberto; Deibel, Naina; Avilés, Teresa; Sarkar, Biprajit; Braunstein, Pierre","Reactivity of TCNE and TCNQ derivatives of quinonoid zwitterions with Cu(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5441","5450","10.1039/c4dt03956d","","","0.71073","MoKα","","0.166","0.0987","","","0.2511","0.28","","","","","","1.062","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033852","11.0282","0.0005","13.567","0.0007","14.6751","0.0005","90","","108.707","0.002","90","","2079.69","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cu N10 O4 -","- C38 H40 Cu N10 O4 -","- C76 H80 Cu2 N20 O8 -","2","0.5","","Kauf, Thomas; Rosa, Vitor; Fliedel, Christophe; Pattacini, Roberto; Deibel, Naina; Avilés, Teresa; Sarkar, Biprajit; Braunstein, Pierre","Reactivity of TCNE and TCNQ derivatives of quinonoid zwitterions with Cu(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5441","5450","10.1039/c4dt03956d","","","0.71073","MoKα","","0.109","0.0753","","","0.2102","0.2349","","","","","","1.074","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033853","20.7677","0.0015","11.7553","0.0009","28.509","0.002","90","","90","","90","","6959.9","0.9","291","2","291","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C56 H40 Co N8 O6 -","- C56 H40 Co N8 O6 -","- C224 H160 Co4 N32 O24 -","4","0.5","","Zheng, Meng-Xi; Gao, Xiang-Jing; Zhang, Chuan-Lei; Qin, Ling; Zheng, He-Gen","Assembly of various degrees of interpenetration of Co-MOFs based on mononuclear or dinuclear cluster units: magnetic properties and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4751","4758","10.1039/c4dt04011b","","","0.71073","MoKα","","0.0496","0.0484","","","0.1235","0.1238","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7033854","22.2737","0.0018","29.146","0.002","13.8719","0.0012","90","","108.451","0.002","90","","8542.6","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H58 Co2 N6 O9 -","- C84 H58 Co2 N6 O9 -","- C336 H232 Co8 N24 O36 -","4","0.5","","Zheng, Meng-Xi; Gao, Xiang-Jing; Zhang, Chuan-Lei; Qin, Ling; Zheng, He-Gen","Assembly of various degrees of interpenetration of Co-MOFs based on mononuclear or dinuclear cluster units: magnetic properties and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4751","4758","10.1039/c4dt04011b","","","0.71073","MoKα","","0.0788","0.052","","","0.1448","0.1572","","","","","","1.018","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7033855","22.8097","0.0018","36.695","0.0015","14.4183","0.0011","90","","106.313","0.002","90","","11582.3","1.4","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C45 H30 Co F6 N3 O5 -","- C45 H30 Co F6 N3 O5 -","- C360 H240 Co8 F48 N24 O40 -","8","1","","Zheng, Meng-Xi; Gao, Xiang-Jing; Zhang, Chuan-Lei; Qin, Ling; Zheng, He-Gen","Assembly of various degrees of interpenetration of Co-MOFs based on mononuclear or dinuclear cluster units: magnetic properties and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4751","4758","10.1039/c4dt04011b","","","0.71073","MoKα","","0.0567","0.0392","","","0.1383","0.1393","","","","","","1.003","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7033856","7.2839","0.0004","20.7778","0.0013","10.4718","0.0007","90","","102.342","0.005","90","","1548.21","0.17","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N4 O2 S2 Si -","- C32 H32 N4 O2 S2 Si -","- C64 H64 N8 O4 S4 Si2 -","2","0.5","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.046","0.034","","","0.0798","0.0845","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033857","7.888","0.0006","34.301","0.002","8.8321","0.0007","90","","112.025","0.006","90","","2215.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B Cu N8 -","- C19 H28 B Cu N8 -","- C76 H112 B4 Cu4 N32 -","4","1","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.0642","0.0394","","","0.0935","0.1046","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033858","10.2646","0.0006","11.0643","0.0007","18.1798","0.0011","98.762","0.005","96.679","0.005","90.083","0.005","2026.4","0.2","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C82 H96 B2 Cu2 Fe2 N16 O2 Si -","- C82 H96 B2 Cu2 Fe2 N16 O2 Si -","- C82 H96 B2 Cu2 Fe2 N16 O2 Si -","1","0.5","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.0604","0.0387","","","0.0914","0.0992","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033859","11.0543","0.001","17.5799","0.0015","18.9632","0.0015","97.434","0.006","90.778","0.007","105.074","0.007","3524.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H84 B2 Cu2 N16 O2 Si -","- C69 H84 B2 Cu2 N16 O2 Si -","- C138 H168 B4 Cu4 N32 O4 Si2 -","2","1","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.1252","0.0528","","","0.1043","0.1253","","","","","","0.906","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033860","11.3293","0.0007","13.7572","0.0008","15.501","0.001","80.946","0.005","74.97","0.005","73.416","0.005","2227.2","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H108 B2 Cu2 N16 O2 Si -","- C90 H108 B2 Cu2 N16 O2 Si -","- C90 H108 B2 Cu2 N16 O2 Si -","1","0.5","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.0696","0.0435","","","0.0987","0.1083","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033861","7.1083","0.0006","10.0939","0.0009","13.448","0.0013","92.222","0.007","96.813","0.007","100.341","0.007","940.74","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Cl6 N4 O2 Si -","- C33.998 H33.998 Cl5.994 N4 O2 Si -","- C33.998 H33.998 Cl5.994 N4 O2 Si -","1","0.5","","Kämpfe, Alexander; Brendler, Erica; Kroke, Edwin; Wagler, Jörg","Tp*Cu(i)-CN-SiL2-NC-Cu(i)Tp* - a hexacoordinate Si-complex as connector for redox active metals via π-conjugated ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4744","4750","10.1039/c4dt03903c","","","0.71073","MoKα","","0.0649","0.0464","","","0.1059","0.1141","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033862","12.3369","0.0005","16.3463","0.0008","19.6863","0.0009","112.034","0.001","99.022","0.001","96.148","0.002","3574.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H82 B22 Ge2 N2 -","- C26 H82 B22 Ge2 N2 -","- C78 H246 B66 Ge6 N6 -","3","1.5","","Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun","Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5205","5210","10.1039/c4dt02533d","","","0.71073","MoKα","","0.0544","0.0356","","","0.0813","0.0879","","","","","","1.034","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033863","10.3761","0.001","13.0634","0.001","18.8637","0.0016","80.125","0.006","74.74","0.007","88.692","0.007","2429.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H82 B22 Ge2 N2 S -","- C26 H82 B22 Ge2 N2 S -","- C52 H164 B44 Ge4 N4 S2 -","2","1","","Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun","Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5205","5210","10.1039/c4dt02533d","","","0.71073","MoKα","","0.0521","0.0432","","","0.0906","0.0951","","","","","","1.251","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033864","11.8146","0.001","8.6455","0.0004","28.438","0.002","90","","100.542","0.006","90","","2855.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 B11 N2 O3 S3 Sn -","- C16 H37 B11 N2 O3 S3 Sn -","- C64 H148 B44 N8 O12 S12 Sn4 -","4","1","","Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun","Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5205","5210","10.1039/c4dt02533d","","","0.71073","MoKα","","0.0571","0.0414","","","0.0873","0.094","","","","","","1.043","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033865","18.1342","0.0006","18.9297","0.0006","31.2954","0.001","90","","103.255","0.001","90","","10456.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H231 Mo36 N13 Nd2 O185 -","- C54 H96 Mo36 N12 Nd2 O154 -","- C108 H192 Mo72 N24 Nd4 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0607","0.0493","","","0.1398","0.1465","","","","","","1.069","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033866","18.1715","0.0009","18.9571","0.001","31.3002","0.0017","90","","103.321","0.001","90","","10492.2","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H199 Mo36 N13 O169 Sm2 -","- C54 H96 Mo36 N12 O154 Sm2 -","- C108 H192 Mo72 N24 O308 Sm4 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0564","0.0469","","","0.1176","0.1226","","","","","","1.041","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033867","18.115","0.0009","18.8634","0.0009","31.2063","0.0016","90","","103.402","0.001","90","","10373.1","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H201 Eu2 Mo36 N13 O170 -","- C54 H96 Eu2 Mo36 N12 O154 -","- C108 H192 Eu4 Mo72 N24 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0607","0.0486","","","0.1327","0.1399","","","","","","1.082","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033868","18.1061","0.0013","18.88","0.0012","31.161","0.002","90","","103.428","0.001","90","","10361","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H199 Gd2 Mo36 N13 O169 -","- C54 H96 Gd2 Mo36 N12 O154 -","- C108 H192 Gd4 Mo72 N24 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0592","0.0465","","","0.1271","0.134","","","","","","1.088","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033869","18.1552","0.0007","18.964","0.0007","31.1861","0.0012","90","","103.473","0.001","90","","10441.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H201 Dy2 Mo36 N13 O170 -","- C54 H96 Dy2 Mo36 N12 O154 -","- C108 H192 Dy4 Mo72 N24 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0572","0.0462","","","0.1215","0.1275","","","","","","1.055","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033870","18.1548","0.0007","18.9687","0.0007","31.1244","0.0012","90","","103.486","0.001","90","","10422.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H205 Er2 Mo36 N13 O172 -","- C54 H96 Er2 Mo36 N12 O154 -","- C108 H192 Er4 Mo72 N24 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.051","0.0432","","","0.1105","0.1147","","","","","","1.043","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033871","18.1417","0.0015","18.9738","0.0016","31.066","0.003","90","","103.491","0.001","90","","10398.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H199 Mo36 N13 O169 Tm2 -","- C54 H96 Mo36 N12 O154 Tm2 -","- C108 H192 Mo72 N24 O308 Tm4 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0538","0.044","","","0.116","0.1213","","","","","","1.06","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033872","18.1439","0.0007","18.9549","0.0007","31.0336","0.0012","90","","103.489","0.001","90","","10378.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H203 Mo36 N13 O171 Yb2 -","- C54 H96 Mo36 N12 O154 Yb2 -","- C108 H192 Mo72 N24 O308 Yb4 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0539","0.0447","","","0.1199","0.1248","","","","","","1.083","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033873","18.1063","0.0008","18.883","0.0009","30.9085","0.0014","90","","103.538","0.001","90","","10274","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H235 Lu2 Mo36 N13 O187 -","- C54 H96 Lu2 Mo36 N12 O154 -","- C108 H192 Lu4 Mo72 N24 O308 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0779","0.0542","","","0.1462","0.159","","","","","","0.995","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033874","18.1596","0.0017","18.9673","0.0018","31.122","0.003","90","","103.499","0.002","90","","10423.5","1.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H197 Mo36 N13 O168 Y2 -","- C54 H96 Mo36 N12 O154 Y2 -","- C108 H192 Mo72 N24 O308 Y4 -","2","0.5","","Wang, Yuan; Ma, Pengtao; Niu, Jingyang","Organic-inorganic hybrid rare earth complexes based on polymolybdates with intrinsic photosensitive properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4679","4682","10.1039/c4dt02967d","","","0.71073","MoKα","","0.0527","0.0434","","","0.1105","0.1149","","","","","","1.048","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033875","8.073","0.003","11.659","0.004","16.832","0.005","85.771","0.005","85.202","0.007","86.025","0.006","1571.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Dy N7 O12 -","- C23 H20 Dy N7 O12 -","- C46 H40 Dy2 N14 O24 -","2","1","","Mondal, Amit Kumar; Goswami, Soumyabrata; Konar, Sanjit","Influence of the coordination environment on slow magnetic relaxation and photoluminescence behavior in two mononuclear dysprosium(iii) based single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5086","5094","10.1039/c4dt03620d","","","0.71073","MoKα","","0.0424","0.0423","","","0.1113","0.1113","","","","","","1.551","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033876","10.1352","0.0007","15.3564","0.0013","10.6736","0.0008","90","","109.06","0.003","90","","1570.2","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Dy N8 O17 -","- C23 H29 Dy N8 O17 -","- C46 H58 Dy2 N16 O34 -","2","1","","Mondal, Amit Kumar; Goswami, Soumyabrata; Konar, Sanjit","Influence of the coordination environment on slow magnetic relaxation and photoluminescence behavior in two mononuclear dysprosium(iii) based single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5086","5094","10.1039/c4dt03620d","","","0.71073","MoKα","","0.0236","0.0213","","","0.0406","0.0411","","","","","","1.326","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033877","23.1255","0.0004","23.1255","0.0004","12.3948","0.0005","90","","90","","90","","6628.6","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H4 Cl2 F24 O9 Ti2 -","- C20 H4 Cl2 F24 O9 Ti2 -","- C160 H32 Cl16 F192 O72 Ti16 -","8","0.5","","Kuhn, A.; Conradie, J.","Observed hydrolysis of fluorine substituted bis(β-diketonato)-dichlorotitanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5106","5113","10.1039/c4dt02614d","","","0.71073","MoKα","","0.0454","0.0357","","","0.0812","0.0871","","","","","","1.017","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033878","13.7394","0.0004","16.4156","0.0004","29.3154","0.0007","90","","107.707","0.001","90","","6298.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H8 F48 O20 Ti4 -","- C40 H8 F48 O20 Ti4 -","- C160 H32 F192 O80 Ti16 -","4","1","","Kuhn, A.; Conradie, J.","Observed hydrolysis of fluorine substituted bis(β-diketonato)-dichlorotitanium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5106","5113","10.1039/c4dt02614d","","","0.71073","MoKα","","0.0511","0.0376","","","0.0837","0.0908","","","","","","1.025","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033879","17.335","0.004","13.207","0.003","7.7439","0.0015","90","","94.11","0.03","90","","1768.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Wang, Xin-Ming; Wang, Ping; Fan, Rui-Qing; Xu, Meng-Ying; Qiang, Liang-Sheng; Wei, Li-Guo; Yang, Yu-Lin; Wang, Yu-Lei","Solvatochromic and application in dye-sensitized solar cells of sandwich-like Cd(ii) complexes: supramolecular architectures based on N(1),N(3)-bis[(6-methoxypyridin-2-yl)methylene]benzene-1,3-diamine.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5179","5190","10.1039/c4dt03856h","","","0.71073","MoKα","","0.1109","0.0534","","","0.1359","0.1702","","","","","","0.902","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033880","8.851","0.0018","11.372","0.002","12.324","0.003","90.55","0.03","100.25","0.03","108.59","0.03","1154","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cd2 N12 O18 -","- C40 H40 Cd2 N12 O18 -","- C40 H40 Cd2 N12 O18 -","1","0.5","","Wang, Xin-Ming; Wang, Ping; Fan, Rui-Qing; Xu, Meng-Ying; Qiang, Liang-Sheng; Wei, Li-Guo; Yang, Yu-Lin; Wang, Yu-Lei","Solvatochromic and application in dye-sensitized solar cells of sandwich-like Cd(ii) complexes: supramolecular architectures based on N(1),N(3)-bis[(6-methoxypyridin-2-yl)methylene]benzene-1,3-diamine.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5179","5190","10.1039/c4dt03856h","","","0.71073","MoKα","","0.1002","0.0884","","","0.2108","0.221","","","","","","1.086","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033881","12.217","0.002","20.167","0.004","14.706","0.003","90","","111.96","0.03","90","","3360.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Cd2 Cl4 N14 O22 -","- C52 H58 Cd2 Cl4 N14 O22 -","- C104 H116 Cd4 Cl8 N28 O44 -","2","0.5","","Wang, Xin-Ming; Wang, Ping; Fan, Rui-Qing; Xu, Meng-Ying; Qiang, Liang-Sheng; Wei, Li-Guo; Yang, Yu-Lin; Wang, Yu-Lei","Solvatochromic and application in dye-sensitized solar cells of sandwich-like Cd(ii) complexes: supramolecular architectures based on N(1),N(3)-bis[(6-methoxypyridin-2-yl)methylene]benzene-1,3-diamine.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5179","5190","10.1039/c4dt03856h","","","0.71073","MoKα","","0.0453","0.0394","","","0.1269","0.1311","","","","","","1.067","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033882","8.0639","0.0006","10.1882","0.0008","10.8585","0.0009","90.523","0.001","105.137","0.001","94.415","0.001","858.19","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl Cu N3 O -","- C20 H14 Cl Cu N3 O -","- C40 H28 Cl2 Cu2 N6 O2 -","2","1","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","Metal ion-assisted ring-opening of a quinazoline-based chemosensor: detection of copper(ii) in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5191","5196","10.1039/c4dt03791j","","","0.71073","MoKα","","0.0508","0.0375","","","0.0961","0.1182","","","","","","1.123","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033883","10.445","0.0007","21.7593","0.0014","8.6952","0.0006","90","","101.739","0.001","90","","1934.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cd2 N6 O6 -","- C44 H34 Cd2 N6 O6 -","- C88 H68 Cd4 N12 O12 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","Metal ion-assisted ring-opening of a quinazoline-based chemosensor: detection of copper(ii) in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5191","5196","10.1039/c4dt03791j","","","0.71073","MoKα","","0.0433","0.0304","","","0.0721","0.0778","","","","","","1.036","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033884","11.6328","0.0006","12.3461","0.0006","14.6072","0.0007","90","","90.262","0.001","90","","2097.86","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Cd2 N6 O8 -","- C46 H42 Cd2 N6 O8 -","- C92 H84 Cd4 N12 O16 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","Metal ion-assisted ring-opening of a quinazoline-based chemosensor: detection of copper(ii) in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5191","5196","10.1039/c4dt03791j","","","0.71073","MoKα","","0.0352","0.0252","","","0.052","0.0558","","","","","","1.034","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033885","14.7743","0.001","13.7892","0.001","18.2139","0.001","90","","90.506","0.01","90","","3710.5","0.4","173","0.14","173","0.14","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Cl2 Co Ir N O10 P3 Re -","- C26 H50 Cl2 Co Ir N O10 P3 Re -","- C104 H200 Cl8 Co4 Ir4 N4 O40 P12 Re4 -","4","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","1.5418","CuKα","","0.0383","0.037","","","0.0965","0.0978","","","","","","1.026","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033886","16.2567","0.0002","15.5814","0.0002","22.6734","0.0003","90","","90","","90","","5743.22","0.13","173","0.14","173","0.14","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C44 H64 Cl4 Co F6 Ir N O9 P5 Re -","- C44 H62 Cl4 Co F6 Ir N O9 P5 Re -","- C176 H248 Cl16 Co4 F24 Ir4 N4 O36 P20 Re4 -","4","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","0.7107","MoKα","","0.0301","0.0279","","","0.0572","0.0581","","","","","","1.014","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033887","13.294","0.0004","13.3589","0.0006","16.5754","0.0007","76.44","0.004","78.948","0.003","83.055","0.003","2799.6","0.2","173","0.14","173","0.14","","","","","","","","9","P -1","-P 1","2","","","","- C50 H70 Cl2 Co Ir N O9 P4 Re -","- C50 H70 Cl2 Co Ir N O9 P4 Re -","- C100 H140 Cl4 Co2 Ir2 N2 O18 P8 Re2 -","2","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","1.5418","CuKα","","0.0395","0.0384","","","0.1056","0.107","","","","","","1.024","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033888","12.1611","0.0002","14.3726","0.0003","32.8546","0.0006","90","","97.1682","0.0018","90","","5697.66","0.19","100","0.2","100","0.2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 Cl5 Co F6 N O13 P5 Re Rh -","- C41 H60 Cl5 Co F6 N O13 P5 Re Rh -","- C164 H240 Cl20 Co4 F24 N4 O52 P20 Re4 Rh4 -","4","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","1.5418","CuKα","","0.0726","0.0505","","","0.1116","0.1214","","","","","","1.002","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033889","12.4445","0.0009","12.5644","0.0008","17.9581","0.0011","81.475","0.005","86.215","0.005","64.836","0.007","2513.3","0.3","99.9","0.3","99.9","0.3","","","","","","","","9","P -1","-P 1","2","","","","- C80 H116 Cl6 Co2 N2 O26 P8 Re2 Rh2 -","- C80 H116 Cl6 Co2 N2 O26 P8 Re2 Rh2 -","- C80 H116 Cl6 Co2 N2 O26 P8 Re2 Rh2 -","1","0.5","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","x-ray","1.5418","CuKα","","0.062","0.0546","","","0.1229","0.1256","","","","","","1.001","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033890","9.2573","0.0017","12.638","0.002","17.985","0.003","85.953","0.002","75.562","0.002","75.848","0.002","1975.7","0.6","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C29 H55 Cl3 Co Ir N O10 P3 Ru -","- C29 H55 Cl3 Co Ir N O10 P3 Ru -","- C58 H110 Cl6 Co2 Ir2 N2 O20 P6 Ru2 -","2","1","","So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5479","5487","10.1039/c5dt00093a","","","0.71073","MoKα","","0.0764","0.0583","","","0.1095","0.1154","","","","","","1.016","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033891","12.7195","0.0019","9.7533","0.0014","14.17","0.002","90","","115.087","0.009","90","","1592.1","0.4","260","2","260","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Cu(HTyrbenz)2].CH3OH.H2O","","","- C33 H38 Cu N2 O8 -","- C33 H38 Cu N2 O8 -","- C66 H76 Cu2 N4 O16 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0507","0.0378","","","0.0762","0.0831","","","","","","0.936","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033892","9.2543","0.0006","10.038","0.0008","23.8749","0.0019","90","","90","","90","","2217.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cu(HSerbenz)2].3(H2O)","","","- C20 H30 Cu N2 O9 -","- C20 H30 Cu N2 O9 -","- C80 H120 Cu4 N8 O36 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.048","0.0341","","","0.0616","0.0675","","","","","","0.916","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033893","10.2891","0.001","9.0692","0.0009","14.9871","0.0017","90","","91.668","0.007","90","","1397.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(HTyrthio)2].H2O","","","- C28 H30 Cu N2 O7 S2 -","- C28 H30 Cu N2 O7 S2 -","- C56 H60 Cu2 N4 O14 S4 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0582","0.0411","","","0.0776","0.0858","","","","","","0.941","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033894","12.0163","0.0008","7.738","0.0005","17.1859","0.0014","90","","107.324","0.002","90","","1525.49","0.19","250","2","250","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu(HTyr-4pyr)2(H2O)].2H2O","","","- C30 H36 Cu N4 O9 -","- C30 H36 Cu N4 O9 -","- C60 H72 Cu2 N8 O18 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.0378","0.0336","","","0.0691","0.0711","","","","","","0.936","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033895","10.635","0.002","7.9884","0.0015","23.468","0.004","90","","94.13","0.003","90","","1988.6","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu(HSerthio)2(H2O)]","","","- C16 H22 Cu N2 O7 S2 -","- C16 H22 Cu N2 O7 S2 -","- C64 H88 Cu4 N8 O28 S8 -","4","2","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.1118","0.059","","","0.1251","0.149","","","","","","1.002","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033896","9.3002","0.0008","9.608","0.0008","13.0067","0.001","82.12","0.006","86.98","0.006","68.922","0.006","1074.22","0.16","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Co N4 O8 P2 -","- C44 H56 Co N4 O8 P2 -","- C44 H56 Co N4 O8 P2 -","1","0.5","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71073","MoKα","","0.0351","0.0271","","","0.0659","0.0714","","","","","","1.043","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033897","12.313","0.003","12.624","0.003","18.217","0.005","90","","92.911","0.004","90","","2828","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co N2 O7 P -","- C25 H37 Co N2 O7 P -","- C100 H148 Co4 N8 O28 P4 -","4","1","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71075","MoKα","","0.0304","0.03","","","0.0775","0.078","","","","","","1.093","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033898","11.3601","0.0005","23.5841","0.0011","11.9974","0.0005","90","","115.741","0.005","90","","2895.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Co2 N4 O14 P2 -","- C54 H74 Co2 N4 O14 P2 -","- C108 H148 Co4 N8 O28 P4 -","2","0.5","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71073","MoKα","","0.0551","0.033","","","0.069","0.0765","","","","","","1.035","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033899","9.2911","0.0016","11.821","0.003","12.926","0.003","88.042","0.007","78.263","0.007","82.427","0.008","1377.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H74 Co2 N8 O10 P2 -","- C46 H74 Co2 N8 O10 P2 -","- C46 H74 Co2 N8 O10 P2 -","1","0.5","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71075","MoKα","","0.0324","0.0305","","","0.0805","0.082","","","","","","1.059","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033900","29.3794","0.0012","14.545","0.0004","19.9624","0.0007","90","","111.705","0.004","90","","7925.6","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H92 Co4 N8 O16 P4 -","- C68 H92 Co4 N8 O16 P4 -","- C272 H368 Co16 N32 O64 P16 -","4","0.5","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71073","MoKα","","0.0967","0.056","","","0.1199","0.1404","","","","","","1.025","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033901","18.037","0.003","18.037","0.003","30.914","0.005","90","","90","","90","","10057","3","150","2","150","2","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C72 H84 Co4 N12 O16 P4 -","- C72 H84 Co4 N12 O16 P4 -","- C288 H336 Co16 N48 O64 P16 -","4","","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71075","MoKα","","0.0988","0.0705","","","0.1774","0.196","","","","","","1.123","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033902","26.081","0.006","18.29","0.004","9.713","0.002","90","","90","","90","","4633.3","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Co N4 O5 P -","- C19 H29 Co N4 O5 P -","- C152 H232 Co8 N32 O40 P8 -","8","1","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71075","MoKα","","0.0657","0.062","","","0.1406","0.1428","","","","","","1.164","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033903","19.4254","0.0007","21.878","0.002","15.578","0.0008","90","","90","","90","","6620.5","0.7","293","2","293","2","","","","","","","","5","P c m a","-P 2ac 2ac","55","","","","- C27 H17 Co N9 O4 -","- C27 H17 Co N9 O4 -","- C108 H68 Co4 N36 O16 -","4","0.5","","Meng, Jiang-Ping; Gong, Yun; Lin, Qiang; Zhang, Miao-Miao; Zhang, Pan; Shi, Hui-Fang; Lin, Jian-Hua","Metal-organic frameworks based on rigid ligands as separator membranes in supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5407","5416","10.1039/c4dt03702b","","","0.71073","MoKα","","0.1193","0.0996","","","0.2818","0.301","","","","","","1.073","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033904","11.1597","0.0005","22.075","0.0009","17.434","0.0007","90","","99.424","0.004","90","","4236.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cd N12 O7 -","- C42 H42 Cd N12 O7 -","- C168 H168 Cd4 N48 O28 -","4","1","","Meng, Jiang-Ping; Gong, Yun; Lin, Qiang; Zhang, Miao-Miao; Zhang, Pan; Shi, Hui-Fang; Lin, Jian-Hua","Metal-organic frameworks based on rigid ligands as separator membranes in supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5407","5416","10.1039/c4dt03702b","","","0.71073","MoKα","","0.0812","0.062","","","0.1369","0.1463","","","","","","1.133","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033905","11.002","0.0006","22.1547","0.0017","16.9957","0.0009","90","","100.697","0.005","90","","4070.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Co N10 O5 -","- C36 H28 Co N10 O5 -","- C144 H112 Co4 N40 O20 -","4","1","","Meng, Jiang-Ping; Gong, Yun; Lin, Qiang; Zhang, Miao-Miao; Zhang, Pan; Shi, Hui-Fang; Lin, Jian-Hua","Metal-organic frameworks based on rigid ligands as separator membranes in supercapacitor.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5407","5416","10.1039/c4dt03702b","","","0.71073","MoKα","","0.0806","0.0567","","","0.1542","0.1645","","","","","","1.067","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033906","8.252","0.0004","13.7632","0.0007","17.0976","0.0008","83.047","0.003","80.953","0.003","87.098","0.003","1902.59","0.16","150","","149.99","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H30 B F15 N O3 P S -","- C38 H30 B F15 N O3 P S -","- C76 H60 B2 F30 N2 O6 P2 S2 -","2","1","","Postle, Shawn; Stephan, Douglas W.","Reactions of iodine-nitrene reagents with boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4436","4439","10.1039/c5dt00142k","","","0.71073","MoKα","","0.0451","0.0382","","","0.1","0.107","","","","","","1.0569","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033907","8.3826","0.0006","11.3424","0.0008","11.4015","0.0008","101.452","0.004","92.38","0.004","111.68","0.004","979.42","0.13","150","","149.4","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H8 B F10 N O2 S -","- C19 H8 B F10 N O2 S -","- C38 H16 B2 F20 N2 O4 S2 -","2","1","","Postle, Shawn; Stephan, Douglas W.","Reactions of iodine-nitrene reagents with boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4436","4439","10.1039/c5dt00142k","","","0.71073","MoKα","","0.0644","0.0383","","","0.0834","0.0959","","","","","","1.0459","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033908","8.3755","0.0003","11.2582","0.0005","11.2869","0.0004","76.807","0.003","87.603","0.002","68.315","0.002","961.79","0.07","150","","150.01","","","","","","","","","8","P -1","-P 1","2","","","","- C18 H5 B Cl F10 N O2 S -","- C18 H5 B Cl F10 N O2 S -","- C36 H10 B2 Cl2 F20 N2 O4 S2 -","2","1","","Postle, Shawn; Stephan, Douglas W.","Reactions of iodine-nitrene reagents with boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4436","4439","10.1039/c5dt00142k","","","0.71073","MoKα","","0.04","0.032","","","0.0786","0.0849","","","","","","1.066","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033909","6.0068","0.0007","9.6962","0.0012","13.5918","0.0015","74.33","0.007","81.758","0.007","85.914","0.007","753.89","0.16","150","","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H4 B F10 N O2 S -","- C13 H4 B F10 N O2 S -","- C26 H8 B2 F20 N2 O4 S2 -","2","1","","Postle, Shawn; Stephan, Douglas W.","Reactions of iodine-nitrene reagents with boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4436","4439","10.1039/c5dt00142k","","","0.71073","MoKα","","0.0858","0.044","","","0.0881","0.1026","","","","","","1.0313","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033910","11.7089","0.0005","17.4277","0.0007","26.6735","0.0012","90","","90","","90","","5443","0.4","296","2","296","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C30 H58 Cl6 Cu4 N4 Se8 -","- C30 H58 Cl6 Cu4 N4 Se8 -","- C120 H232 Cl24 Cu16 N16 Se32 -","4","0.5","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.1028","0.0621","","","0.1661","0.1912","","","","","","1.05","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033911","15.5076","0.0011","15.5076","0.0011","18.534","0.0015","90","","90","","120","","3860","0.5","296","2","296","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H85 Cu8 F6 N6 P Se12 -","- C42 H85 Cu8 F6 N6 P Se12 -","- C84 H170 Cu16 F12 N12 P2 Se24 -","2","0.166667","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.076","0.0468","","","0.1243","0.1424","","","","","","1.067","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033912","23.6157","0.0011","23.6157","0.0011","12.1113","0.0006","90","","90","","90","","6754.5","0.6","296","2","296","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C36 H73 Cu8 F6 N6 O2 P Se12 -","- C36 H73 Cu8 F6 N6 O2 P Se12 -","- C144 H292 Cu32 F24 N24 O8 P4 Se48 -","4","","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.0471","0.0338","","","0.0786","0.0833","","","","","","1.074","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033913","15.3215","0.0005","15.3215","0.0005","24.1704","0.0009","90","","90","","120","","4913.8","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H85 Cu7 N6 Se12 -","- C42 H85 Cu6.9998 N6 Se12 -","- C126 H255 Cu20.9994 N18 Se36 -","3","0.166667","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.0243","0.021","","","0.0466","0.0477","","","","","","1.048","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033914","19.1629","0.0006","11.8176","0.0004","24.1013","0.0007","90","","91.207","0.0008","90","","5456.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H63 Cl2 Cu7 N6 Se12 -","- C31 H63 Cl2 Cu6.9998 N6 Se12 -","- C124 H252 Cl8 Cu27.9992 N24 Se48 -","4","0.5","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.0421","0.0325","","","0.0709","0.0743","","","","","","1.036","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033915","10.9927","0.0003","16.333","0.0005","31.7659","0.001","90","","90","","90","","5703.4","0.3","173.2","","173.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1.PF6","","- C31 H25 F6 Ir N5 P -","- C31 H25 F6 Ir N5 P -","- C248 H200 F48 Ir8 N40 P8 -","8","1","","Barbante, Gregory J.; Doeven, Egan H.; Francis, Paul S.; Stringer, Bradley D.; Hogan, Conor F.; Kheradmand, Peyman R.; Wilson, David J. D.; Barnard, Peter J.","Iridium(iii) N-heterocyclic carbene complexes: an experimental and theoretical study of structural, spectroscopic, electrochemical and electrogenerated chemiluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8564","8576","10.1039/c4dt03378g","","","0.71073","MoKα","","0.0673","0.0375","","","0.0618","0.0715","","","","","","1.043","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033916","13.818","0.003","13.881","0.003","17.586","0.004","90","","101.65","0.03","90","","3303.6","1.3","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3.PF6","","- C36 H30 F6 Ir N5 O P -","- C36 H30 F6 Ir N5 O P -","- C144 H120 F24 Ir4 N20 O4 P4 -","4","1","","Barbante, Gregory J.; Doeven, Egan H.; Francis, Paul S.; Stringer, Bradley D.; Hogan, Conor F.; Kheradmand, Peyman R.; Wilson, David J. D.; Barnard, Peter J.","Iridium(iii) N-heterocyclic carbene complexes: an experimental and theoretical study of structural, spectroscopic, electrochemical and electrogenerated chemiluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8564","8576","10.1039/c4dt03378g","","","0.71073","MoKα","","0.0378","0.0319","","","0.0703","0.0728","","","","","","1.095","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033917","12.1438","0.00014","15.66023","0.00014","19.33573","0.00019","90","","101.328","0.0011","90","","3605.53","0.06","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4.PF6","","- C41 H31 F6 Ir N5 P -","- C41 H31 F6 Ir N5 P -","- C164 H124 F24 Ir4 N20 P4 -","4","1","","Barbante, Gregory J.; Doeven, Egan H.; Francis, Paul S.; Stringer, Bradley D.; Hogan, Conor F.; Kheradmand, Peyman R.; Wilson, David J. D.; Barnard, Peter J.","Iridium(iii) N-heterocyclic carbene complexes: an experimental and theoretical study of structural, spectroscopic, electrochemical and electrogenerated chemiluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8564","8576","10.1039/c4dt03378g","","","0.71073","MoKα","","0.0224","0.0188","","","0.0422","0.0438","","","","","","1.078","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033918","14.0688","0.001","13.8376","0.001","15.2807","0.0011","90","","106.759","0.002","90","","2848.5","0.4","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Ga2 N4 Te2 -","- C58 H82 Ga2 N4 Te2 -","- C116 H164 Ga4 N8 Te4 -","2","0.5","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.0573","0.044","","","0.1175","0.13","","","","","","1.081","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033919","19.1512","0.0008","19.707","0.0008","20.3343","0.0008","90","","90","","90","","7674.4","0.5","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H51 Ga N2 Te2 -","- C41 H51 Ga N2 Te2 -","- C328 H408 Ga8 N16 Te16 -","8","1","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.087","0.0469","","","0.0941","0.1249","","","","","","1.127","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033920","18.6322","0.0004","20.9742","0.0005","16.4363","0.0004","90","","98.982","0.001","90","","6344.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C61.5 H86 Ga2 N4 Te2 -","- C61.5 H86 Ga2 N4 Te2 -","- C246 H344 Ga8 N16 Te8 -","4","0.5","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.0293","0.0223","","","0.0576","0.0606","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033921","16.888","0.003","19.798","0.003","10.2125","0.0015","90","","90","","90","","3414.5","0.9","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H55 Ga N2 Te -","- C35 H55 Ga N2 Te -","- C140 H220 Ga4 N8 Te4 -","4","0.5","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.0314","0.0225","","","0.0534","0.0578","","","","","","1.046","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033922","22.223","0.004","16.599","0.003","23.438","0.005","90","","117.45","0.002","90","","7672","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 N2 O10 Sm -","- C30 H24 F18 N2 O10 Sm -","- C240 H192 F144 N16 O80 Sm8 -","8","2","","Wang, Xiufeng; Li, Yungai; Hu, Peng; Wang, Juanjuan; Li, Licun","Slow magnetic relaxation and field-induced metamagnetism in nitronyl nitroxide-Dy(iii) magnetic chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4560","4567","10.1039/c4dt01878h","","","0.71073","MoKα","","0.0497","0.044","","","0.1389","0.1442","","","","","","1.041","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033923","22.252","0.005","16.508","0.003","23.322","0.005","90","","117.44","0.03","90","","7603","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Dy F18 N2 O10 -","- C30 H24 Dy F18 N2 O10 -","- C240 H192 Dy8 F144 N16 O80 -","8","2","","Wang, Xiufeng; Li, Yungai; Hu, Peng; Wang, Juanjuan; Li, Licun","Slow magnetic relaxation and field-induced metamagnetism in nitronyl nitroxide-Dy(iii) magnetic chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4560","4567","10.1039/c4dt01878h","","","0.71073","MoKα","","0.0755","0.0659","","","0.1376","0.143","","","","","","1.063","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033924","22.204","0.004","16.575","0.003","23.444","0.005","90","","117","0.03","90","","7688","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Eu F18 N2 O10 -","- C30 H24 Eu F18 N2 O10 -","- C240 H192 Eu8 F144 N16 O80 -","8","2","","Wang, Xiufeng; Li, Yungai; Hu, Peng; Wang, Juanjuan; Li, Licun","Slow magnetic relaxation and field-induced metamagnetism in nitronyl nitroxide-Dy(iii) magnetic chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4560","4567","10.1039/c4dt01878h","","","0.71073","MoKα","","0.0422","0.0354","","","0.096","0.1015","","","","","","0.998","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033925","22.261","0.004","16.582","0.003","23.453","0.005","90","","117.45","0.03","90","","7683","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 Gd N2 O10 -","- C30 H24 F18 Gd N2 O10 -","- C240 H192 F144 Gd8 N16 O80 -","8","2","","Wang, Xiufeng; Li, Yungai; Hu, Peng; Wang, Juanjuan; Li, Licun","Slow magnetic relaxation and field-induced metamagnetism in nitronyl nitroxide-Dy(iii) magnetic chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4560","4567","10.1039/c4dt01878h","","","0.71073","MoKα","","0.0603","0.0444","","","0.0969","0.1049","","","","","","1.026","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033926","16.8896","0.0005","17.5155","0.0005","25.1035","0.0009","90","","92.938","0.003","90","","7416.6","0.4","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 F60 Gd2 N20 O24 -","- C109 H98 Cu2 F60 Gd2 N20 O24 -","- C218 H196 Cu4 F120 Gd4 N40 O48 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.082","0.0654","","","0.1536","0.1713","","","","","","1.034","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033927","16.7525","0.0003","17.554","0.0003","24.9087","0.0005","90","","92.524","0.002","90","","7317.9","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 F60 N20 O24 Tb2 -","- C109 H98 Cu2 F60 N20 O24 Tb2 -","- C218 H196 Cu4 F120 N40 O48 Tb4 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.0533","0.0454","","","0.0894","0.0953","","","","","","1.034","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033928","16.9627","0.0004","17.4217","0.0003","25.2082","0.0006","90","","92.59","0.002","90","","7441.9","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C109 H98 Cu2 Dy2 F60 N20 O24 -","- C109 H98 Cu2 Dy2 F60 N20 O24 -","- C218 H196 Cu4 Dy4 F120 N40 O48 -","2","1","","Wang, Chao; Lin, Shuang-Yan; Shi, Wei; Cheng, Peng; Tang, Jinkui","Exploiting verdazyl radicals to assemble 2p-3d-4f one-dimensional chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5364","5368","10.1039/c4dt03354j","","","0.71073","MoKα","","0.077","0.0618","","","0.1449","0.1585","","","","","","1.018","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033929","11.7838","0.0004","12.3757","0.0004","13.6009","0.0004","95.7503","0.0012","93.7677","0.0011","109.033","0.0009","1855.35","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H57.99 N8 O22.16 Ru Zn4 -","- C76 H58 N8 O22.148 Ru Zn4 -","- C76 H58 N8 O22.148 Ru Zn4 -","1","0.5","","Whittington, Christi L.; Wojtas, Lukasz; Gao, Wen-Yang; Ma, Shengqian; Larsen, Randy W.","A new photoactive Ru(ii)tris(2,2'-bipyridine) templated Zn(ii) benzene-1,4-dicarboxylate metal organic framework: structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5331","5337","10.1039/c4dt02594f","","","1.54178","CuKα","","0.0307","0.0291","","","0.0712","0.072","","","","","","1.119","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033930","5.9252","0.0013","7.6035","0.0016","9.0354","0.0019","90","","93.165","0.005","90","","406.44","0.15","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0411","0.0285","","","0.0689","0.0754","","","","","","1.03","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033931","5.934","0.002","7.607","0.003","9.038","0.003","90","","93.232","0.007","90","","407.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0671","0.0557","","","0.1795","0.1858","","","","","","1.119","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033932","5.928","0.002","7.607","0.003","9.043","0.004","90","","93.154","0.008","90","","407.2","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.081","0.0668","","","0.2245","0.234","","","","","","1.132","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033933","5.9142","0.0009","7.8676","0.0011","9.1622","0.0013","90","","91.895","0.003","90","","426.09","0.11","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ni -","- C10 H10 Ni -","- C20 H20 Ni2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0299","0.0254","","","0.0659","0.0692","","","","","","1.101","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033934","5.913","0.005","7.866","0.007","9.157","0.007","90","","91.835","0.016","90","","425.7","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ni -","- C10 H10 Ni -","- C20 H20 Ni2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.1494","0.1168","","","0.3008","0.3235","","","","","","1.009","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033935","5.8966","0.0019","7.859","0.002","9.135","0.003","90","","91.841","0.006","90","","423.1","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ni -","- C10 H10 Ni -","- C20 H20 Ni2 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0621","0.0491","","","0.1175","0.1323","","","","","","1.031","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033936","7.1076","0.0012","8.9737","0.0016","12.782","0.002","90","","90","","90","","815.3","0.2","292","2","292","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.0206","0.019","","","0.0452","0.0465","","","","","","1.165","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033937","5.942","0.004","7.696","0.006","9.122","0.007","90","","92.908","0.018","90","","416.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Fe0.89 Ru0.11 -","- C10 H10 Fe0.89 Ru0.11 -","- C20 H20 Fe1.78 Ru0.22 -","2","0.5","","Miyamoto, Yasuhiro; Takamizawa, Satoshi","Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5688","5691","10.1039/c4dt03922j","","","0.71073","MoKα","","0.1498","0.0533","","","0.1194","0.1598","","","","","","0.836","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033938","18.851","0.009","10.072","0.004","13.477","0.006","90","","97.068","0.013","90","","2539.4","1.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B19 N -","- C14 H37 B19 N -","- C56 H148 B76 N4 -","4","1","","Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.","Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5628","5637","10.1039/c5dt00081e","","","0.71073","MoKα","","0.2026","0.0867","","","0.1912","0.2451","","","","","","1.005","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033939","11.5653","0.0007","14.1222","0.0009","15.1116","0.001","90","","91.611","0.004","90","","2467.2","0.3","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H35 B19 Ru -","- C14 H35 B19 Ru -","- C56 H140 B76 Ru4 -","4","1","","Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.","Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5628","5637","10.1039/c5dt00081e","","","0.71073","MoKα","","0.0492","0.0309","","","0.0689","0.0766","","","","","","1.029","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033940","10.9051","0.0009","16.9528","0.0014","13.8437","0.0011","90","","105.039","0.004","90","","2471.7","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H35 B19 Ru -","- C14 H35 B19 Ru -","- C56 H140 B76 Ru4 -","4","1","","Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.","Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5628","5637","10.1039/c5dt00081e","","","0.71073","MoKα","","0.0392","0.0288","","","0.0639","0.068","","","","","","1.031","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033941","6.7993","0.0005","14.4533","0.001","20.3575","0.0014","89.609","0.003","85.554","0.003","89.158","0.003","1994.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H26 B19 Co -","- C9 H26 B19 Co -","- C36 H104 B76 Co4 -","4","2","","Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.","Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5628","5637","10.1039/c5dt00081e","","","0.71073","MoKα","","0.0403","0.0334","","","0.0821","0.085","","","","","","1.07","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033942","12.6472","0.0006","6.6422","0.0003","23.8175","0.001","90","","95.642","0.002","90","","1991.1","0.16","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B19 Co -","- C9 H26 B19 Co -","- C36 H104 B76 Co4 -","4","1","","Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.","Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5628","5637","10.1039/c5dt00081e","","","0.71073","MoKα","","0.0404","0.0325","","","0.0732","0.0764","","","","","","1.086","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033943","11.0053","0.0002","23.2346","0.0003","23.3093","0.0004","90","","90","","90","","5960.28","0.17","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H54 Cl2.25 F6 Ir O1.75 P5 Pt -","- C61.75 H54 Cl2.25 F6 Ir O1.75 P5 Pt -","- C247 H216 Cl9 F24 Ir4 O7 P20 Pt4 -","4","1","","Sterenberg, Brian T.; Wrigley, Christian T.; Puddephatt, Richard J.","Binuclear platinum-iridium complexes: synthesis, reactivity and luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5555","5568","10.1039/c4dt03966a","","","0.71073","MoKα","","0.0666","0.0409","","","0.0829","0.0891","","","","","","0.964","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033944","12.0687","0.0001","33.9511","0.0005","14.9766","0.0002","90","","90","","90","","6136.6","0.13","200","2","200","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C58 H52 Cl4 F6 Ir O4 P5 Pt -","- C58 H52 Cl4 F6 Ir O4 P5 Pt -","- C232 H208 Cl16 F24 Ir4 O16 P20 Pt4 -","4","1","","Sterenberg, Brian T.; Wrigley, Christian T.; Puddephatt, Richard J.","Binuclear platinum-iridium complexes: synthesis, reactivity and luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5555","5568","10.1039/c4dt03966a","","","0.71073","MoKα","","0.0815","0.04","","","0.0831","0.0913","","","","","","0.929","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033945","12.3369","0.0005","16.3463","0.0008","19.6863","0.0009","112.034","0.001","99.022","0.001","96.148","0.002","3574.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H82 B22 Ge2 N2 -","- C26 H82 B22 Ge2 N2 -","- C78 H246 B66 Ge6 N6 -","3","1.5","","Gädt, Torben; Dimmer, Jörg-Alexander; Fleischhauer, Sebastian; Frank, Anita; Nickl, Claudia; Wütz, Tobias; Eichele, Klaus; Wesemann, Lars","Oxidation of germa- and stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4726","4731","10.1039/c5dt00099h","","","0.71073","MoKα","","0.0544","0.0356","","","0.0813","0.0879","","","","","","1.034","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033946","10.3761","0.001","13.0634","0.001","18.8637","0.0016","80.125","0.006","74.74","0.007","88.692","0.007","2429.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H82 B22 Ge2 N2 S -","- C26 H82 B22 Ge2 N2 S -","- C52 H164 B44 Ge4 N4 S2 -","2","1","","Gädt, Torben; Dimmer, Jörg-Alexander; Fleischhauer, Sebastian; Frank, Anita; Nickl, Claudia; Wütz, Tobias; Eichele, Klaus; Wesemann, Lars","Oxidation of germa- and stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4726","4731","10.1039/c5dt00099h","","","0.71073","MoKα","","0.0521","0.0432","","","0.0906","0.0951","","","","","","1.251","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033947","11.8146","0.001","8.6455","0.0004","28.438","0.002","90","","100.542","0.006","90","","2855.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 B11 N2 O3 S3 Sn -","- C16 H37 B11 N2 O3 S3 Sn -","- C64 H148 B44 N8 O12 S12 Sn4 -","4","1","","Gädt, Torben; Dimmer, Jörg-Alexander; Fleischhauer, Sebastian; Frank, Anita; Nickl, Claudia; Wütz, Tobias; Eichele, Klaus; Wesemann, Lars","Oxidation of germa- and stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4726","4731","10.1039/c5dt00099h","","","0.71073","MoKα","","0.0571","0.0414","","","0.0873","0.094","","","","","","1.043","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033948","8.0841","0.0005","8.5351","0.0004","17.4924","0.0011","90","","91.388","0.006","90","","1206.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Au Cl2 N -","- C12 H10 Au Cl2 N -","- C48 H40 Au4 Cl8 N4 -","4","1","","von Wachenfeldt, Henrik; Polukeev, Alexey V.; Loganathan, Nagarajan; Paulsen, Filip; Röse, Philipp; Garreau, Marion; Wendt, Ola F.; Strand, Daniel","Cyclometallated gold(iii) aryl-pyridine complexes as efficient catalysts for three-component synthesis of substituted oxazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5347","5353","10.1039/c4dt03806a","","","0.71073","MoKα","","0.0905","0.0781","","","0.1866","0.1939","","","","","","1.15","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033949","7.816","0.005","8.605","0.005","11.558","0.005","85.425","0.005","72.501","0.005","71.714","0.005","703.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Au Cl3 N -","- C12 H11 Au Cl3 N -","- C24 H22 Au2 Cl6 N2 -","2","1","","von Wachenfeldt, Henrik; Polukeev, Alexey V.; Loganathan, Nagarajan; Paulsen, Filip; Röse, Philipp; Garreau, Marion; Wendt, Ola F.; Strand, Daniel","Cyclometallated gold(iii) aryl-pyridine complexes as efficient catalysts for three-component synthesis of substituted oxazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5347","5353","10.1039/c4dt03806a","","","0.71069","MoKα","","0.0195","0.017","","","0.0414","0.0418","","","","","","1.02","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033950","8.058","0.006","16.703","0.002","9.025","0.005","90","","106.149","0.003","90","","1166.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Au Cl2 F2 N -","- C11 H6 Au Cl2 F2 N -","- C44 H24 Au4 Cl8 F8 N4 -","4","1","","von Wachenfeldt, Henrik; Polukeev, Alexey V.; Loganathan, Nagarajan; Paulsen, Filip; Röse, Philipp; Garreau, Marion; Wendt, Ola F.; Strand, Daniel","Cyclometallated gold(iii) aryl-pyridine complexes as efficient catalysts for three-component synthesis of substituted oxazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5347","5353","10.1039/c4dt03806a","","","0.71069","MoKα","","0.0779","0.0527","","","0.1194","0.1277","","","","","","1.023","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033951","13.139","0.004","7.796","0.006","13.139","0.003","90","","100.44","0.011","90","","1323.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Au Cl3 F2 N -","- C11 H7 Au Cl3 F2 N -","- C44 H28 Au4 Cl12 F8 N4 -","4","1","","von Wachenfeldt, Henrik; Polukeev, Alexey V.; Loganathan, Nagarajan; Paulsen, Filip; Röse, Philipp; Garreau, Marion; Wendt, Ola F.; Strand, Daniel","Cyclometallated gold(iii) aryl-pyridine complexes as efficient catalysts for three-component synthesis of substituted oxazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5347","5353","10.1039/c4dt03806a","","","0.71069","MoKα","","0.0354","0.0315","","","0.0771","0.0787","","","","","","1.021","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033952","10.945","0.002","13.877","0.003","19.505","0.004","90","","91.922","0.004","90","","2960.8","1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H49 B N O Sc Si2 -","- C23 H49 B N O Sc Si2 -","- C92 H196 B4 N4 O4 Sc4 Si8 -","4","1","","Wang, Xiufang; Leng, Xuebing; Chen, Yaofeng","Mono(boratabenzene) rare-earth metal dialkyl complexes: synthesis, structure and catalytic behaviors for styrene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5771","5776","10.1039/c4dt04043k","","","0.71073","MoKα","","0.1034","0.0573","","","0.1214","0.1405","","","","","","1.024","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033953","10.9985","0.0009","14.0655","0.0011","19.6993","0.0015","90","","91.8","0.001","90","","3046","0.4","133.5","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H49 B Lu N O Si2 -","- C23 H49 B Lu N O Si2 -","- C92 H196 B4 Lu4 N4 O4 Si8 -","4","1","","Wang, Xiufang; Leng, Xuebing; Chen, Yaofeng","Mono(boratabenzene) rare-earth metal dialkyl complexes: synthesis, structure and catalytic behaviors for styrene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5771","5776","10.1039/c4dt04043k","","","0.71073","MoKα","","0.0269","0.019","","","0.042","0.0459","","","","","","1.028","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033954","9.9646","0.001","19.4922","0.0019","26.587","0.003","90","","90","","90","","5164","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H83 N2 O2 Si Y -","- C54 H83 N2 O2 Si Y -","- C216 H332 N8 O8 Si4 Y4 -","4","1","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.0369","0.0341","","","0.0811","0.0822","","","","","","1.038","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033955","12.6489","0.0007","20.3519","0.0011","24.5922","0.0014","68.123","0.001","81.393","0.001","76.144","0.001","5691.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H94 Li N2 O4 Si2 Y -","- C52 H94 Li N2 O4 Si2 Y -","- C208 H376 Li4 N8 O16 Si8 Y4 -","4","2","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.1401","0.0536","","","0.0833","0.0961","","","","","","0.831","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033956","23.6249","0.0006","13.2778","0.0004","12.427","0.0003","90","","112.176","0.003","90","","3609.83","0.18","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H113 N4 O3 Y2 -","- C71 H113 N4 O3 Y2 -","- C142 H226 N8 O6 Y4 -","2","0.5","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.069","0.0506","","","0.1179","0.1264","","","","","","1.054","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033957","16.5905","0.0007","16.5905","0.0007","74.717","0.003","90","","90","","120","","17810.2","1.3","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C111 H189 Li2 N6 O16 Y3 -","- C111 H189 Li2 N6 O16 Y3 -","- C666 H1134 Li12 N36 O96 Y18 -","6","0.333333","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.081","0.0657","","","0.167","0.1766","","","","","","1.057","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033958","14.5952","0.0012","16.7329","0.0011","19.5713","0.0014","90","","107.344","0.003","90","","4562.4","0.6","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Nd2 O18 -","- C31 H28 Nd2 O18 -","- C124 H112 Nd8 O72 -","4","1","","Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin","Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5746","5754","10.1039/c4dt03794d","","","0.71073","MoKα","","0.068","0.0594","","","0.1381","0.1405","","","","","","1.097","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033959","14.4388","0.0018","16.4128","0.0019","19.331","0.0012","90","","107.606","0.003","90","","4366.5","0.8","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 O18 Sm2 -","- C31 H28 O18 Sm2 -","- C124 H112 O72 Sm8 -","4","1","","Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin","Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5746","5754","10.1039/c4dt03794d","","","0.71073","MoKα","","0.0772","0.059","","","0.1411","0.1447","","","","","","1.055","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033960","14.4821","0.0018","16.7137","0.0019","19.213","0.0012","90","","108.039","0.003","90","","4421.9","0.8","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Dy2 O18 -","- C31 H28 Dy2 O18 -","- C124 H112 Dy8 O72 -","4","1","","Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin","Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5746","5754","10.1039/c4dt03794d","","","0.71073","MoKα","","0.053","0.0419","","","0.0906","0.0926","","","","","","0.987","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033961","21.7106","0.0003","7.72944","0.00012","14.02422","0.00019","90","","110.865","0.0014","90","","2199.09","0.06","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","lithium dimanganese pentaborohydride bis(diethyl ether)","","","- C8 H40 B5 Li Mn2 O2 -","- C8 H40 B5 Li Mn2 O2 -","- C32 H160 B20 Li4 Mn8 O8 -","4","0.5","","Tumanov, Nikolay A.; Safin, Damir A.; Richter, Bo; Łodziana, Zbigniew; Jensen, Torben R.; Garcia, Yann; Filinchuk, Yaroslav","Challenges in the synthetic routes to Mn(BH4)2: insight into intermediate compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6571","6580","10.1039/c4dt03807j","powder diffraction","","0.82742","synchrotron","","","","","","","","","5.0528","10.3242","","","","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033962","14.5133","0.0006","7.4487","0.0003","10.7119","0.0005","90","","104.338","0.005","90","","1121.94","0.09","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","sodium dimanganese pentaborohydride bis(diethyl ether)","","","- C8 H40 B5 Mn2 Na O2 -","- C8 H40 B5 Mn2 Na O2 -","- C16 H80 B10 Mn4 Na2 O4 -","2","0.5","","Tumanov, Nikolay A.; Safin, Damir A.; Richter, Bo; Łodziana, Zbigniew; Jensen, Torben R.; Garcia, Yann; Filinchuk, Yaroslav","Challenges in the synthetic routes to Mn(BH4)2: insight into intermediate compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6571","6580","10.1039/c4dt03807j","","","0.71073","MoKα","","0.0659","0.0557","","","0.1459","0.1545","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033963","12.3618","0.0004","15.5064","0.0005","9.2859","0.0004","90","","101.126","0.004","90","","1746.53","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","manganese bisborohydride tris(pyridine)","","","- C15 H23 B2 Mn N3 -","- C15 H23 B2 Mn N3 -","- C60 H92 B8 Mn4 N12 -","4","0.5","","Tumanov, Nikolay A.; Safin, Damir A.; Richter, Bo; Łodziana, Zbigniew; Jensen, Torben R.; Garcia, Yann; Filinchuk, Yaroslav","Challenges in the synthetic routes to Mn(BH4)2: insight into intermediate compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6571","6580","10.1039/c4dt03807j","","","0.71073","MoKα","","0.0434","0.0388","","","0.1264","0.133","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7033964","30.657","0.008","13.857","0.004","12.973","0.004","90","","96.337","0.004","90","","5477","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","corpyPtdpm","","","- C36 H31 N O2 Pt -","- C36 H31 N O2 Pt -","- C288 H248 N8 O16 Pt8 -","8","1","","Facendola, John W.; Seifrid, Martin; Siegel, Jay; Djurovich, Peter I.; Thompson, Mark E.","Synthesis and characterization of phosphorescent platinum and iridium complexes with cyclometalated corannulene.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8456","8466","10.1039/c4dt03541k","","","0.71073","MoKα","","0.0537","0.039","","","0.1179","0.1346","","","","","","1.002","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033965","10.6157","0.0008","13.0592","0.001","13.6102","0.001","110.638","0.001","104.578","0.0011","91.246","0.0011","1696.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","corpyIrppz2","","","- C44 H28 Cl2 Ir N5 -","- C44 H28 Cl2 Ir N5 -","- C88 H56 Cl4 Ir2 N10 -","2","1","","Facendola, John W.; Seifrid, Martin; Siegel, Jay; Djurovich, Peter I.; Thompson, Mark E.","Synthesis and characterization of phosphorescent platinum and iridium complexes with cyclometalated corannulene.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8456","8466","10.1039/c4dt03541k","","","0.71073","MoKα","","0.0176","0.0164","","","0.0395","0.0399","","","","","","1.051","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033966","10.295","0.002","10.523","0.002","13.284","0.003","80.61","0.03","80.07","0.03","85.38","0.03","1396.5","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Au2 Cl2 N6 P4 S2 -","- C54 H54 Au2 Cl2 N6 P4 S2 -","- C54 H54 Au2 Cl2 N6 P4 S2 -","1","0.5","","Qi, Hai-Xiao; Wang, Jian-Feng; Ren, Zhi-Gang; Ning, Jin-Jiao; Lang, Jian-Ping","Syntheses and structures of two gold(i) coordination compounds derived from P-S hybrid ligands and their efficient catalytic performance in the photodegradation of nitroaromatics in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5662","5671","10.1039/c5dt00167f","","","0.71073","MoKα","","0.1035","0.0751","","","0.2228","0.2435","","","","","","1.05","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033967","11.56","0.002","11.159","0.002","19.727","0.004","90","","98.65","0.03","90","","2515.8","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Au2 P2 S2 -","- C26 H24 Au2 P2 S2 -","- C104 H96 Au8 P8 S8 -","4","1","","Qi, Hai-Xiao; Wang, Jian-Feng; Ren, Zhi-Gang; Ning, Jin-Jiao; Lang, Jian-Ping","Syntheses and structures of two gold(i) coordination compounds derived from P-S hybrid ligands and their efficient catalytic performance in the photodegradation of nitroaromatics in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5662","5671","10.1039/c5dt00167f","","","0.71073","MoKα","","0.0582","0.0422","","","0.0796","0.0837","","","","","","1.101","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033968","3.9779","0.0002","18.8497","0.0007","19.0199","0.0008","104.225","0.003","91.415","0.003","94.296","0.003","1377.17","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br2 F Hg N2 -","- C12 H9 Br2 F Hg N2 -","- C48 H36 Br8 F4 Hg4 N8 -","4","2","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0862","0.075","","","0.2198","0.2258","","","","","","1.26","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033969","4.712","0.0002","16.4085","0.0007","17.6773","0.0008","90","","90","","90","","1366.75","0.1","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br2 Cl Hg N2 -","- C12 H9 Br2 Cl Hg N2 -","- C48 H36 Br8 Cl4 Hg4 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0238","0.0221","","","0.0473","0.0484","","","","","","1.034","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033970","26.9001","0.0007","37.9178","0.0009","4.803","0.0002","90","","90","","90","","4899","0.3","100","1","100","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H18 Br4 Hg N4 -","- C24 H18 Br4 Hg N4 -","- C192 H144 Br32 Hg8 N32 -","8","0.5","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0402","0.0369","","","0.0891","0.0911","","","","","","1.125","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033971","4.0584","0.0002","23.489","0.0006","15.5548","0.0005","90","","94.887","0.003","90","","1477.41","0.09","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br2 Hg I N2 -","- C12 H9 Br2 Hg I N2 -","- C48 H36 Br8 Hg4 I4 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0797","0.0783","","","0.2144","0.2151","","","","","","1.204","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033972","37.6061","0.0003","38.3258","0.0008","4.2956","0.0002","90","","90","","90","","6191.2","0.3","100","1","100","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H9 F Hg I2 N2 -","- C12 H9 F Hg I2 N2 -","- C192 H144 F16 Hg16 I32 N32 -","16","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0283","0.0251","","","0.0584","0.0598","","","","","","1.024","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033973","4.759","0.0002","16.98","0.001","18.1555","0.0007","90","","90","","90","","1467.11","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl Hg I2 N2 -","- C12 H9 Cl Hg I2 N2 -","- C48 H36 Cl4 Hg4 I8 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.05","0.049","","","0.1052","0.1064","","","","","","0.977","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033974","16.3554","0.0007","22.6143","0.0007","4.2385","0.0002","90","","90","","90","","1567.68","0.11","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br Hg I2 N2 -","- C12 H9 Br Hg I2 N2 -","- C48 H36 Br4 Hg4 I8 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0354","0.0296","","","0.0454","0.0487","","","","","","0.94","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033975","4.2727","0.0002","24.0248","0.0008","15.4948","0.0005","90","","95.495","0.003","90","","1583.24","0.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Hg I3 N2 -","- C12 H9 Hg I3 N2 -","- C48 H36 Hg4 I12 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0615","0.0587","","","0.1609","0.1631","","","","","","1.356","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033976","7.843","0.002","9.986","0.002","12.32","0.003","67.609","0.004","78.65","0.003","68.577","0.004","828.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cu4 N6 O10 -","- C14 H8 Cu4 N6 O10 -","- C28 H16 Cu8 N12 O20 -","2","1","","Zhang, Yuan-Yuan; Zhao, Hong; Yang, En-Cui; Liu, Zhong-Yi; Shang, Qiu; Zhao, Xiao-Jun","Triazolate-based 3D frameworks and a 2D layer with centrosymmetric Cu(II)7, Cu(II)5, Cu(II)4 clusters and tunable interlayer/interchain compactness: hydrothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5826","5836","10.1039/c4dt04013a","","","0.71073","MoKα","","0.0523","0.0422","","","0.1055","0.1126","","","","","","1.043","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033977","8.6725","0.0009","8.8145","0.0009","13.398","0.0013","78.991","0.002","73.52","0.002","82.909","0.002","961.43","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cu6 N24 O8.5 -","- C24 H22 Cu6 N24 O8.5 -","- C24 H22 Cu6 N24 O8.5 -","1","0.5","","Zhang, Yuan-Yuan; Zhao, Hong; Yang, En-Cui; Liu, Zhong-Yi; Shang, Qiu; Zhao, Xiao-Jun","Triazolate-based 3D frameworks and a 2D layer with centrosymmetric Cu(II)7, Cu(II)5, Cu(II)4 clusters and tunable interlayer/interchain compactness: hydrothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5826","5836","10.1039/c4dt04013a","","","0.71073","MoKα","","0.0629","0.045","","","0.0921","0.1021","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033978","10.5526","0.001","10.8749","0.001","15.3643","0.0014","76.545","0.002","82.101","0.002","79.927","0.002","1679.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu5 N12 O12 -","- C24 H18 Cu5 N12 O12 -","- C48 H36 Cu10 N24 O24 -","2","1","","Zhang, Yuan-Yuan; Zhao, Hong; Yang, En-Cui; Liu, Zhong-Yi; Shang, Qiu; Zhao, Xiao-Jun","Triazolate-based 3D frameworks and a 2D layer with centrosymmetric Cu(II)7, Cu(II)5, Cu(II)4 clusters and tunable interlayer/interchain compactness: hydrothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5826","5836","10.1039/c4dt04013a","","","0.71073","MoKα","","0.0856","0.0466","","","0.0814","0.0916","","","","","","1.002","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033979","8.387","0.0006","8.4427","0.0007","10.0939","0.0008","113.94","0.001","94.123","0.001","95.509","0.001","645.39","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cu5 N6 O14 -","- C20 H20 Cu5 N6 O14 -","- C20 H20 Cu5 N6 O14 -","1","0.5","","Zhang, Yuan-Yuan; Zhao, Hong; Yang, En-Cui; Liu, Zhong-Yi; Shang, Qiu; Zhao, Xiao-Jun","Triazolate-based 3D frameworks and a 2D layer with centrosymmetric Cu(II)7, Cu(II)5, Cu(II)4 clusters and tunable interlayer/interchain compactness: hydrothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5826","5836","10.1039/c4dt04013a","","","0.71073","MoKα","","0.0243","0.0219","","","0.054","0.0553","","","","","","1.055","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033980","7.3747","0.0003","8.5221","0.0004","9.7222","0.0006","97.051","0.004","97.098","0.004","107.244","0.004","570.84","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O6 P2 -","- C20 H30 N2 O6 P2 -","- C20 H30 N2 O6 P2 -","1","0.5","","Braumüller, Markus; Schulz, Martin; Sorsche, Dieter; Pfeffer, Michael; Schaub, Markus; Popp, Jürgen; Park, Byung-Wook; Hagfeldt, Anders; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of an immobilizable photochemical molecular device for H2-generation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5577","5586","10.1039/c4dt03730h","","x-ray","1.54184","CuKα","","0.0393","0.0383","","","0.1033","0.1044","","","","","","1.015","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033981","46.4406","0.0008","12.6539","0.0002","30.2705","0.0006","90","","121.496","0.003","90","","15167.9","0.7","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H93 F12 N6 O7.5 P4 Ru -","- C60 H88 F12 N6 O7 P4 Ru -","- C480 H704 F96 N48 O56 P32 Ru8 -","8","1","","Braumüller, Markus; Schulz, Martin; Sorsche, Dieter; Pfeffer, Michael; Schaub, Markus; Popp, Jürgen; Park, Byung-Wook; Hagfeldt, Anders; Dietzek, Benjamin; Rau, Sven","Synthesis and characterization of an immobilizable photochemical molecular device for H2-generation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5577","5586","10.1039/c4dt03730h","","x-ray","1.54178","CuKα","","0.0705","0.0555","","","0.1549","0.1662","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033982","18.9563","0.0004","16.2903","0.0004","38.5631","0.0009","90","","101.677","0.003","90","","11662","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C233 H325 Al6 N9 O24 -","- C233 H325 Al6 N9 O24 -","- C466 H650 Al12 N18 O48 -","2","0.5","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.1032","0.0795","","","0.1975","0.2275","","","","","","0.984","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033983","17.0608","0.0006","18.6696","0.0006","19.2836","0.0008","80.388","0.003","75.485","0.003","88.132","0.003","5862.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C238.05 H334.2 Al6 N6.6 O24 -","- C238.05 H334.2 Al6 N6.6 O24 -","- C238.05 H334.2 Al6 N6.6 O24 -","1","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.1213","0.0865","","","0.2061","0.2415","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033984","30.011","0.0009","17.0781","0.0007","60.065","0.002","90","","90.689","0.003","90","","30782.9","1.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C296.64 H412.1 Mg8 N9 O32 -","- C296.62 H412.12 Mg8 N9 O32 -","- C1186.48 H1648.48 Mg32 N36 O128 -","4","0.5","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.2407","0.1986","","","0.4917","0.5174","","","","","","1.728","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033985","21.817","0.003","21.817","0.003","16.96","0.003","90","","90","","120","","6991.1","1.8","99.99","0.1","99.99","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C120 H165 Mg4 N3 O15 -","- C120 H165 Mg4 N3 O15 -","- C240 H330 Mg8 N6 O30 -","2","0.333333","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","0.71073","MoKα","","0.1618","0.0897","","","0.2114","0.2538","","","","","","0.9","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033986","15.8715","0.0005","26.8064","0.0008","17.2847","0.0005","90","","103.577","0.003","90","","7148.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C145 H221 Mg4 N4 O15 -","- C145 H221 Mg4 N4 O15 -","- C290 H442 Mg8 N8 O30 -","2","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","1.54184","CuKα","","0.0819","0.0746","","","0.1917","0.203","","","","","","1.038","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033987","15.9337","0.0007","26.4951","0.001","16.9088","0.0005","90","","99.435","0.004","90","","7041.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C115 H179 Mg4 N5 O16 -","- C115 H179 Mg4 N5 O16 -","- C230 H358 Mg8 N10 O32 -","2","1","","Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai","Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5692","5702","10.1039/c4dt03848g","","","1.54184","CuKα","","0.1011","0.0891","","","0.2384","0.2587","","","","","","1.008","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033988","15.3346","0.0009","12.3158","0.0007","25.6212","0.0015","90","","93.427","0.001","90","","4830.1","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Br2 Co N4 O5 S4 -","- C45 H48 Br2 Co N4 O5 S4 -","- C180 H192 Br8 Co4 N16 O20 S16 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Gu, Yan-Wei","Multifunctional mononuclear bisthienylethene-cobalt(ii) complexes: structures, slow magnetic relaxation and photochromic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5755","5762","10.1039/c4dt04035j","","","0.71073","MoKα","","0.0892","0.0513","","","0.1255","0.1366","","","","","","1.065","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033989","11.895","0.003","14.276","0.004","18.499","0.004","96.366","0.004","102.284","0.004","105.849","0.004","2904.7","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H64 Co N4 O10 P2 S4 -","- C52 H64 Co N4 O10 P2 S4 -","- C104 H128 Co2 N8 O20 P4 S8 -","2","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Li, Xiao-Xiong; Gu, Yan-Wei","Multifunctional mononuclear bisthienylethene-cobalt(ii) complexes: structures, slow magnetic relaxation and photochromic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5755","5762","10.1039/c4dt04035j","","","0.71073","MoKα","","0.0911","0.0579","","","0.1582","0.1738","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033990","10.9098","0.0008","15.3843","0.0011","17.738","0.0011","90","","99.998","0.002","90","","2931.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-bis-(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium-tricarbonyl-ferrate(-II)","","- C29 H37 Fe N2 O3 P -","- C29 H37 Fe N2 O3 P -","- C116 H148 Fe4 N8 O12 P4 -","4","1","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","0.71073","MoKα","","0.1059","0.0468","","","0.0803","0.0965","","","","","","0.987","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033991","13.5063","0.0005","21.9821","0.0008","18.0479","0.0005","90","","107.775","0.001","90","","5102.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium)-dicarbonyl-ferrate(-II)","","- C54 H72 Fe N4 O2 P2 -","- C54 H72 Fe N4 O2 P2 -","- C216 H288 Fe4 N16 O8 P8 -","4","1","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","0.71073","MoKα","","0.0752","0.0379","","","0.0702","0.0802","","","","","","0.993","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033992","19.7315","0.0014","20.5098","0.0016","7.4442","0.0006","90","","90","","90","","3012.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(2-methyl-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholene)-tetracarbonyl-iron(0)","","- C31 H39 Fe N2 O4 P -","- C31 H39 Fe N2 O4 P -","- C124 H156 Fe4 N8 O16 P4 -","4","0.5","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","1.54178","CuKα","","0.0331","0.0294","","","0.0809","0.0826","","","","","","1.061","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033993","19.0086","0.0016","12.8494","0.001","43.849","0.003","90","","90","","90","","10710.1","1.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","tetraphenylphosphonium {1,3-bis-(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium}-tricarbonyl ferrate(II)","","- C59 H68 Fe N2 O4.5 P2 -","- C59 H68 Fe N2 O4.5 P2 -","- C472 H544 Fe8 N16 O36 P16 -","8","2","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","0.71073","MoKα","","0.0952","0.0595","","","0.1068","0.1181","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033994","11.5843","0.0006","12.234","0.0006","17.8887","0.0011","92.606","0.003","103.175","0.003","116.117","0.002","2185.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","{1,3-bis-(2,6-diisopropylphenyl)-1,3,2-diazaphospholenium}-triphenyl-stannyl-tricarbonyl ferrate(II)","","- C47 H51 Fe N2 O3 P Sn -","- C47 H51 Fe N2 O3 P Sn -","- C94 H102 Fe2 N4 O6 P2 Sn2 -","2","1","","Stadelmann, B.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","An anionic phosphenium complex as an ambident nucleophile.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6023","6031","10.1039/c5dt00008d","","","1.54178","CuKα","","0.0532","0.0397","","","0.0842","0.0919","","","","","","1.031","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033995","11.1271","0.0007","19.1069","0.0012","13.0946","0.001","90","","94.223","0.005","90","","2776.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Fe2 N3 O S -","- C31 H33 Fe2 N3 O S -","- C124 H132 Fe8 N12 O4 S4 -","4","1","","Wan, Qian; Zhuo, Ji-Bin; Wang, Xiao-Xue; Lin, Cai-Xia; Yuan, Yao-Feng","A simple and highly selective 2,2-diferrocenylpropane-based multi-channel ion pair receptor for Pb(2+) and HSO4(.).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5790","5796","10.1039/c4dt03862b","","","0.71073","MoKα","","0.1422","0.1268","","","0.3388","0.3465","","","","","","2.217","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033996","14.9238","0.0007","14.9238","0.0007","23.7779","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C50 H46 Cu4 N8 O11 -","- C50 H46 Cu4 N8 O11 -","- C200 H184 Cu16 N32 O44 -","4","0.5","","Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá, Antonio; Frontera, Antonio; Bertolasi, Valerio; Ray, Debashis","Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6107","6117","10.1039/c4dt03224a","","","0.71073","MoKα","","0.0626","0.0388","","","0.0954","0.1092","","","","","","0.842","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033997","14.7994","0.0006","14.7994","0.0006","23.9708","0.0014","90","","90","","90","","5250.1","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C54 H56 Cu4 N6 O11 -","- C54 H56 Cu4 N6 O11 -","- C216 H224 Cu16 N24 O44 -","4","0.5","","Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá, Antonio; Frontera, Antonio; Bertolasi, Valerio; Ray, Debashis","Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6107","6117","10.1039/c4dt03224a","","","0.71073","MoKα","","0.0466","0.036","","","0.0859","0.0902","","","","","","1.065","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033998","32.9496","0.0014","15.7777","0.0005","17.6434","0.0006","90","","116.753","0.004","90","","8190.4","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.12 H33.25 Cl4.25 N9 Pt2 -","- C24.125 H33.25 Cl4.25 N9 Pt2 -","- C193 H266 Cl34 N72 Pt16 -","8","1","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Zolotarev, Andrey A.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Coupling of platinated triguanides with platinum-activated nitriles as a novel strategy for generation of dimetallic systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6003","6011","10.1039/c4dt03870c","","","0.71073","MoKα","","0.1244","0.0713","","","0.1703","0.1978","","","","","","1.056","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033999","12.0973","0.0005","13.5538","0.0005","26.8946","0.0019","90","","98.307","0.005","90","","4363.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Cl12 N9 Pt2 -","- C27 H37 Cl12 N9 Pt2 -","- C108 H148 Cl48 N36 Pt8 -","4","1","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Zolotarev, Andrey A.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Coupling of platinated triguanides with platinum-activated nitriles as a novel strategy for generation of dimetallic systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6003","6011","10.1039/c4dt03870c","","","0.71073","MoKα","","0.1433","0.0945","","","0.1998","0.2329","","","","","","1.043","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034000","21.1966","0.0011","8.3014","0.0004","23.8707","0.0013","90","","104.639","0.001","90","","4064","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 N8 O11 Zn -","- C36 H44 N8 O11 Zn -","- C144 H176 N32 O44 Zn4 -","4","0.5","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.0355","0.0328","","","0.0891","0.0913","","","","","","1.038","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034001","17.752","0.005","11.878","0.004","10.359","0.003","90","","90","","90","","2184.3","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.0723","0.0519","","","0.1368","0.1513","","","","","","1.026","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034002","11.247","0.002","17.427","0.003","11.321","0.002","90","","116.964","0.002","90","","1977.7","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O5 Zn -","- C18 H20 N4 O5 Zn -","- C72 H80 N16 O20 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.0571","0.039","","","0.0787","0.0842","","","","","","0.933","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034003","14.933","0.008","14.933","","10.539","0.006","90","","90","","120","","2035.3","1.6","293","2","293","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C54 H54 N12 O12 Zn3 -","3","0.5","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.0867","0.0466","","","0.0807","0.0912","","","","","","0.863","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034004","20.52","0.006","10.281","0.003","13.813","0.004","90","","125.503","0.005","90","","2372.3","1.2","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.1005","0.0677","","","0.151","0.172","","","","","","1.009","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034005","17.096","0.004","13.638","0.004","10.336","0.003","90","","90","","90","","2409.9","1.1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H17 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di","Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6052","6061","10.1039/c4dt03868a","","","0.71073","MoKα","","0.1133","0.0583","","","0.1107","0.1254","","","","","","0.845","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034006","7.7233","0.0011","12.3827","0.0017","12.4646","0.0017","68.448","0.002","78.217","0.003","81.382","0.003","1081.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H33 Cu7 N10 O26.5 S2 -","- C26 H28 Cu7 N10 O26.5 S2 -","- C26 H28 Cu7 N10 O26.5 S2 -","1","0.5","","Liu, Zheng-Yu; Zhang, Hong-Yun; Yang, En-Cui; Liu, Zhong-Yi; Zhao, Xiao-Jun","A (3,6)-connected layer with an unprecedented adeninate nucleobase-derived heptanuclear disc.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5280","5283","10.1039/c4dt04020a","","","0.71073","MoKα","","0.0541","0.0454","","","0.0924","0.0959","","","","","","1.073","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034007","7.1577","0.0005","9.9319","0.001","14.9339","0.0017","71.781","0.01","82.756","0.008","75.432","0.008","974.7","0.18","130.6","0.9","130.6","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 O12 Tb2 -","- C14 H24 O12 Tb2 -","- C28 H48 O24 Tb4 -","2","1","","Ma, Xiaozhou; Xu, Na; Gao, Chen; Li, Leilei; Wang, Bingwu; Shi, Wei; Cheng, Peng","Lanthanide hydroxide ribbons assembled in a 2D network: slow relaxation of the magnetization in the dysprosium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5276","5279","10.1039/c5dt00185d","","","0.71073","MoKα","","0.0321","0.0278","","","0.0632","0.0668","","","","","","1.029","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034008","7.1628","0.0005","9.9371","0.0006","14.9972","0.001","71.52","0.006","83.425","0.006","75.425","0.006","979.14","0.12","127.8","0.2","127.8","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 Dy2 O12 -","- C14 H24 Dy2 O12 -","- C28 H48 Dy4 O24 -","2","1","","Ma, Xiaozhou; Xu, Na; Gao, Chen; Li, Leilei; Wang, Bingwu; Shi, Wei; Cheng, Peng","Lanthanide hydroxide ribbons assembled in a 2D network: slow relaxation of the magnetization in the dysprosium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5276","5279","10.1039/c5dt00185d","","","0.71073","MoKα","","0.0441","0.0392","","","0.0947","0.1007","","","","","","1.046","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034009","8.481","0.0005","21.8202","0.0012","8.5851","0.0003","90","","104.74","0.004","90","","1536.45","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H13 Hg N O S2 -","- C15 H13 Hg N O S2 -","- C60 H52 Hg4 N4 O4 S8 -","4","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5909","5916","10.1039/c4dt03816a","","","0.71073","MoKα","","0.0703","0.0553","","","0.1435","0.1568","","","","","","1.073","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034010","11.7409","0.0015","5.3998","0.001","13.192","0.002","90","","93.737","0.014","90","","834.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Hg O2 S2 -","- C17 H16 Hg O2 S2 -","- C34 H32 Hg2 O4 S4 -","2","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5909","5916","10.1039/c4dt03816a","","","0.71073","MoKα","","0.1019","0.0722","","","0.1598","0.1729","","","","","","0.958","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034011","14.07","0.002","5.2265","0.0006","23.417","0.004","90","","107.24","0.02","90","","1644.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br Hg O S2 -","- C16 H13 Br Hg O S2 -","- C64 H52 Br4 Hg4 O4 S8 -","4","1","","Rajput, Gunjan; Yadav, Manoj Kumar; Drew, Michael G. B.; Singh, Nanhai","Influence of the ligand frameworks on the coordination environment and properties of new phenylmercury(ii) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5909","5916","10.1039/c4dt03816a","","","0.71073","MoKα","","0.0846","0.064","","","0.1681","0.1876","","","","","","0.993","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034012","12.6081","0.0019","13.619","0.002","7.1886","0.0011","90","","111.997","0.002","90","","1144.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MgNa4O12W3","","","- Mg Na4 O12 W3 -","- Mg Na4 O12 W3 -","- Mg4 Na16 O48 W12 -","4","0.5","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.0228","0.0199","","","0.0475","0.0486","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034013","7.7255","0.0014","9.9119","0.0019","10.0401","0.0018","93.249","0.01","106.624","0.01","105.781","0.011","701.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","K4MgW3O12","","","- K4 Mg O12 W3 -","- K4 Mg O12 W3 -","- K8 Mg2 O24 W6 -","2","1","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.0411","0.0303","","","0.0619","0.0658","","","","","","1.089","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034014","10.8783","0.0006","10.8783","0.0006","10.8783","0.0006","90","","90","","90","","1287.31","0.12","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Cs2Mg2O12W3","","","- Cs2 Mg2 O12 W3 -","- Cs2 Mg2 O12 W3 -","- Cs8 Mg8 O48 W12 -","4","0.333333","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.0147","0.0141","","","0.0299","0.0302","","","","","","0.907","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034015","10.7656","0.0006","10.7656","0.0006","10.7656","0.0006","90","","90","","90","","1247.71","0.12","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","Mg2O12Rb2W3","","","- Mg2 O12 Rb2 W3 -","- Mg2 O12 Rb2 W3 -","- Mg8 O48 Rb8 W12 -","4","0.333333","","Han, Shujuan; Wang, Ying; Jing, Qun; Wu, Hongping; Pan, Shilie; Yang, Zhihua","Effect of the cation size on the framework structures of magnesium tungstate, A4Mg(WO4)3 (A = Na, K), R2Mg2(WO4)3 (R = Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5810","5817","10.1039/c5dt00332f","","","0.71073","MoKα","","0.018","0.0172","","","0.0386","0.0389","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034016","10.005","0.003","18.631","0.006","19.444","0.006","90","","90","","90","","3624.4","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cd N6 O6 -","- C37 H28 Cd N6 O6 -","- C148 H112 Cd4 N24 O24 -","4","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.0694","0.061","","","0.1569","0.162","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034017","9.734","0.005","18.245","0.009","19.123","0.01","90","","90","","90","","3396","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Co N6 O7 -","- C37 H30 Co N6 O7 -","- C148 H120 Co4 N24 O28 -","4","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.1306","0.0758","","","0.1582","0.189","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7034018","10.971","0.003","12.137","0.003","15.696","0.004","89.991","0.002","90.03","0.001","112.009","0.003","1937.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H88 Cd2 N10 O14 -","- C82 H88 Cd2 N10 O14 -","- C82 H88 Cd2 N10 O14 -","1","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.0716","0.0706","","","0.1836","0.1853","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034019","13.232","0.0001","13.994","0.0002","13.303","0.0002","90","","117.24","0.001","90","","2190.11","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Cu2 N8 P2 -","- C12 H36 Cu2 N8 P2 -","- C48 H144 Cu8 N32 P8 -","4","1","","Robinson, Thomas P.; Price, Richard D.; Davidson, Matthew G.; Fox, Mark A.; Johnson, Andrew L.","Why are the {Cu4N4} rings in copper(i) phosphinimide clusters [Cu{μ-N[double bond, length as m-dash]PR3}]4 (R = NMe3 or Ph) planar?","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5611","5619","10.1039/c5dt00255a","","","0.71073","MoKα","","0.0329","0.0289","","","0.076","0.0793","","","","","","1.064","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034020","9.131","0.0004","24.407","0.001","29.459","0.0007","90","","98.382","0.002","90","","6495.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H64 Cu4 N4 P4 -","- C75.5 H64 Cu4 N4 P4 -","- C302 H256 Cu16 N16 P16 -","4","1","","Robinson, Thomas P.; Price, Richard D.; Davidson, Matthew G.; Fox, Mark A.; Johnson, Andrew L.","Why are the {Cu4N4} rings in copper(i) phosphinimide clusters [Cu{μ-N[double bond, length as m-dash]PR3}]4 (R = NMe3 or Ph) planar?","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5611","5619","10.1039/c5dt00255a","","","0.71073","MoKα","","0.0951","0.049","","","0.1073","0.128","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034021","35.491","0.004","35.491","0.004","35.491","0.004","90","","90","","90","","44705","9","123","2","123","2","","","","","","","","7","P 41 3 2","P 4bd 2ab 3","213","","","","- C40 H122 Cl7 Dy6 N8 Na O87 -","- C40 H60 Cl4 Dy6 N8 Na O66 -","- C480 H720 Cl48 Dy72 N96 Na12 O792 -","12","0.5","","Zheng, Xiu-Ying; Zhang, Han; Cao, Ling-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Chirality detection of two enantiomorphic 3D lanthanide coordination polymers by vibrational circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5299","5302","10.1039/c5dt00404g","","","0.71073","MoKα","","0.0668","0.06","","","0.1681","0.1747","","","","","","1.088","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034022","35.3561","0.0003","35.3561","0.0003","35.3561","0.0003","90","","90","","90","","44197","0.6","123","2","123","2","","","","","","","","7","P 43 3 2","P 4acd 2ab 3","212","","","","- C40 H122 Cl7 Dy6 N8 Na O87 -","- C40 H60 Cl4 Dy6 N8 Na O65 -","- C480 H720 Cl48 Dy72 N96 Na12 O780 -","12","0.5","","Zheng, Xiu-Ying; Zhang, Han; Cao, Ling-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Chirality detection of two enantiomorphic 3D lanthanide coordination polymers by vibrational circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5299","5302","10.1039/c5dt00404g","","","0.71073","MoKα","","0.1197","0.0754","","","0.189","0.2119","","","","","","1.039","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034023","16.0866","0.0009","12.8688","0.0007","20.3039","0.0016","90","","90","","90","","4203.2","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ag2 N6 O8 -","- C15 H24 Ag2 N6 O8 -","- C120 H192 Ag16 N48 O64 -","8","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0583","0.04","","","0.0889","0.0982","","","","","","1.063","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034024","9.7157","0.0005","10.1084","0.0004","19.1032","0.0008","90","","94.253","0.004","90","","1870.96","0.14","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.1145","0.0567","","","0.1267","0.1516","","","","","","1.009","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034025","10.1494","0.0008","10.3138","0.0007","17.0067","0.0011","90","","95.884","0.006","90","","1770.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag N5 O3 -","- C15 H20 Ag N5 O3 -","- C60 H80 Ag4 N20 O12 -","4","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0766","0.0482","","","0.0884","0.1013","","","","","","1.069","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034026","9.8204","0.0005","11.0676","0.0004","17.5147","0.0004","90","","93.162","0.003","90","","1900.74","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0927","0.0519","","","0.119","0.1441","","","","","","1.021","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034027","8.0338","0.0005","13.8229","0.0008","14.058","0.001","70.665","0.006","81.349","0.006","73.418","0.006","1409.13","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Ag2 Cl6 N8 O33 -","- C30 H64 Ag2 Cl6 N8 O33 -","- C30 H64 Ag2 Cl6 N8 O33 -","1","0.5","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0799","0.0582","","","0.1541","0.1756","","","","","","1.031","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034028","8.6068","0.0003","24.6534","0.001","35.7404","0.0016","90","","90","","90","","7583.6","0.5","295","2","295","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C15 H22 Ag N5 O4 -","- C15 H22 Ag N5 O4 -","- C240 H352 Ag16 N80 O64 -","16","0.5","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.1139","0.0764","","","0.2179","0.2426","","","","","","1.028","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034029","24.365","0.0018","8.6123","0.0007","36.092","0.003","90","","90","","90","","7573.5","1","295","2","295","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H22 Ag Cl N4 O5 -","- C15 H22 Ag Cl N4 O5 -","- C240 H352 Ag16 Cl16 N64 O80 -","16","0.5","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0788","0.0521","","","0.1283","0.1493","","","","","","1.02","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034030","14.966","0.002","13.205","0.002","23.389","0.003","90","","118.964","0.009","90","","4044.1","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Ag3 Cl3 N8 O12 -","- C30 H40 Ag3 Cl3 N8 O12 -","- C120 H160 Ag12 Cl12 N32 O48 -","4","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.1058","0.0609","","","0.134","0.1558","","","","","","1.03","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034031","8.9647","0.0004","9.4112","0.0004","11.6831","0.0005","100.174","0.001","92.619","0.001","109.137","0.001","910.87","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cu2 I2 N4 -","- C15 H16 Cu2 I2 N4 -","- C30 H32 Cu4 I4 N8 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.025","0.0211","","","0.0458","0.0477","","","","","","1.051","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034032","9.0803","0.0004","9.5611","0.0004","11.9245","0.0005","101.565","0.001","91.688","0.001","110.357","0.001","945.33","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu2 I2 N4 -","- C16 H18 Cu2 I2 N4 -","- C32 H36 Cu4 I4 N8 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0229","0.0199","","","0.0463","0.0479","","","","","","1.045","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034033","8.2321","0.0004","8.4671","0.0004","11.9898","0.0005","94.026","0.001","95.045","0.001","115.853","0.001","743.64","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu2 I2 N4 -","- C12 H10 Cu2 I2 N4 -","- C24 H20 Cu4 I4 N8 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0194","0.0188","","","0.044","0.0443","","","","","","1.195","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034034","8.9132","0.0004","9.2024","0.0005","12.2475","0.0006","97.962","0.001","96.167","0.001","105.429","0.001","948.02","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu2 I2 N4 -","- C16 H18 Cu2 I2 N4 -","- C32 H36 Cu4 I4 N8 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0306","0.0237","","","0.0557","0.0588","","","","","","1.042","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034035","7.8794","0.0007","8.6744","0.0007","13.0228","0.0011","78.57","0.002","76.751","0.002","67.049","0.002","791.92","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cu2 I2 N4 O -","- C13 H12 Cu2 I2 N4 O -","- C26 H24 Cu4 I4 N8 O2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0176","0.0159","","","0.0378","0.0385","","","","","","1.071","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034036","21.4131","0.0008","4.2319","0.0002","19.1375","0.0007","90","","105.302","0.001","90","","1672.72","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cu2 I2 N4 O -","- C14 H14 Cu2 I2 N4 O -","- C56 H56 Cu8 I8 N16 O4 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0277","0.0249","","","0.0531","0.0544","","","","","","1.187","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034037","44.1285","0.0014","4.2321","0.0001","19.1234","0.0006","90","","99.077","0.001","90","","3526.69","0.18","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 N4 O -","- C15 H16 Cu2 I2 N4 O -","- C120 H128 Cu16 I16 N32 O8 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Young, David James; Hor, T. S. Andy","Luminescent [Cu4I4] aggregates and [Cu3I3]-cyclic coordination polymers supported by quinolyl-triazoles.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6075","6081","10.1039/c4dt03648d","","","0.71073","MoKα","","0.0262","0.0221","","","0.0461","0.0474","","","","","","1.07","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034038","9.6006","0.0016","12.1733","0.0019","13.646","0.002","80.999","0.005","83.265","0.005","83.885","0.005","1558","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H33 Cl F6 N7 P Ru -","- C29 H33 Cl F6 N7 P Ru -","- C58 H66 Cl2 F12 N14 P2 Ru2 -","2","1","","Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke","Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5303","5305","10.1039/c5dt00476d","","","0.71075","MoKα","","","0.027","","","","0.0668","","","","","","1.043","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034039","12.6737","0.0016","19.858","0.003","20.062","0.003","83.598","0.005","80.72","0.004","81.683","0.004","4910.5","1.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 F12 N10 O P2 Ru -","- C42 H60 F12 N10 O P2 Ru -","- C168 H240 F48 N40 O4 P8 Ru4 -","4","2","","Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke","Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5303","5305","10.1039/c5dt00476d","","","0.71075","MoKα","","","0.0752","","","","0.18","","","","","","1.088","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034040","10.495","0.003","12.179","0.004","15.393","0.005","83.468","0.009","85.291","0.011","79.745","0.01","1919.7","1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H42 F6 N7 O2.5 P Ru -","- C35 H42 F6 N7 O2.5 P Ru -","- C70 H84 F12 N14 O5 P2 Ru2 -","2","1","","Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke","Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5303","5305","10.1039/c5dt00476d","","","0.71075","MoKα","","","0.06","","","","0.1463","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034041","14.47","0.003","16.057","0.003","16.622","0.003","90","","97.887","0.003","90","","3825.5","1.3","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 F6 N7 O4 P Ru -","- C35 H36 F6 N7 O4 P Ru -","- C140 H144 F24 N28 O16 P4 Ru4 -","4","1","","Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke","Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5303","5305","10.1039/c5dt00476d","","","0.71075","MoKα","","","0.0797","","","","0.2162","","","","","","1.087","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034042","24.816","0.005","17.489","0.003","19.357","0.004","90","","110.388","0.002","90","","7875","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F12 N9 P2 Ru -","- C33 H39 F12 N9 P2 Ru -","- C264 H312 F96 N72 P16 Ru8 -","8","2","","Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke","Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5303","5305","10.1039/c5dt00476d","","","0.71075","MoKα","","","0.0746","","","","0.1826","","","","","","1.114","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034043","7.7964","0.0005","10.4432","0.0005","13.0463","0.001","100.635","0.005","100.924","0.006","108.981","0.005","950.96","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu Mo8 N6 O26 -","- C20 H24 Cu Mo8 N6 O26 -","- C20 H24 Cu Mo8 N6 O26 -","1","0.5","","Najafi, Mahnaz; Abbasi, Alireza; Masteri-Farahani, Majid; Janczak, Jan","Two novel octamolybdate nanoclusters as catalysts for dye degradation by air under room conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6089","6097","10.1039/c4dt03377a","","","0.71073","MoKα","","0.0593","0.035","","","0.0675","0.0784","","","","","","1.001","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034044","18.8599","0.0008","19.0464","0.0007","10.2919","0.0004","90","","104.635","0.004","90","","3577","0.3","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Mo8 N6 O28 -","- C30 H28 Mo8 N6 O28 -","- C60 H56 Mo16 N12 O56 -","2","0.25","","Najafi, Mahnaz; Abbasi, Alireza; Masteri-Farahani, Majid; Janczak, Jan","Two novel octamolybdate nanoclusters as catalysts for dye degradation by air under room conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6089","6097","10.1039/c4dt03377a","","","0.71073","MoKα","","0.0658","0.0334","","","0.066","0.0788","","","","","","1.003","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034045","22.9414","0.0009","12.2109","0.0005","8.0965","0.0003","90","","90","","90","","2268.11","0.15","103","2","103","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H33 Al N2 -","- C24 H33 Al N2 -","- C96 H132 Al4 N8 -","4","0.5","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.1098","0.0552","","","0.1339","0.1608","","","","","","0.971","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034046","17.7329","0.0018","16.5921","0.0014","15.9863","0.0016","90","","90","","90","","4703.6","0.8","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Al N2 -","- C24 H35 Al N2 -","- C192 H280 Al8 N16 -","8","2","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.123","0.0644","","","0.1273","0.1521","","","","","","0.99","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034047","16.6982","0.0012","19.5345","0.0014","19.2491","0.0014","90","","111.602","0.003","90","","5837.9","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Al N2 -","- C30 H45 Al N2 -","- C240 H360 Al8 N16 -","8","2","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.1895","0.0767","","","0.1602","0.2284","","","","","","0.968","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034048","17.8289","0.0013","10.1831","0.0007","16.5889","0.001","90","","107.807","0.002","90","","2867.5","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Al N2 -","- C30 H47 Al N2 -","- C120 H188 Al4 N8 -","4","1","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.1204","0.0635","","","0.151","0.1937","","","","","","1.008","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034049","10.653","0.002","17.656","0.003","15.577","0.003","90","","98.9","0.006","90","","2894.6","0.9","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22.25 N O2 -","- C15.1 H22.2 N O2 -","- C120.8 H177.6 N8 O16 -","8","2","","Wu M, Melissa; Gill, Arran M.; Yunpeng, Lu; Falivene, Laura; Yongxin, Li; Ganguly, Rakesh; Cavallo, Luigi; García, Felipe","Synthesis, structural studies and ligand influence on the stability of aryl-NHC stabilised trimethylaluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15166","15174","10.1039/c5dt00079c","","","0.71073","MoKα","","0.1706","0.0775","","","0.1758","0.2137","","","","","","1.021","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034050","32.7382","0.0005","32.7382","0.0005","9.1893","0.0004","90","","90","","120","","8529.5","0.4","200","2","200","2","","","","","","","","7","P -3","-P 3","147","","","","- C156 H120 F36 N18 O3 P6 Zn3 -","- C156 H120 F35.9994 N18 O3 P5.9999 Zn3 -","- C312 H240 F71.9988 N36 O6 P11.9998 Zn6 -","2","0.333333","","Liang, Yen-Peng; He, Yun-Jui; Lee, Yin-Hsuan; Chan, Yi-Tsu","Self-assembly of triangular metallomacrocycles using unsymmetrical bisterpyridine ligands: isomer differentiation via TWIM mass spectrometry.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5139","5145","10.1039/c4dt03055a","","","1.54178","CuKα","","0.2105","0.0947","","","0.2265","0.2862","","","","","","1.175","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034051","18.2095","0.0004","18.3542","0.0006","19.668","","91.568","0.009","106.8","0.007","119.442","0.006","5365.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H188 Cl18 Cu24 Gd6 N18 O175 -","- C42 H114 Cl18 Cu24 Gd6 N18 O175 -","- C42 H114 Cl18 Cu24 Gd6 N18 O175 -","1","0.5","","Shen, Chao-Jun; Hu, Sheng-Min; Sheng, Tian-Lu; Xue, Zhen-Zhen; Wu, Xin-Tao","Syntheses, structures, and properties of a series of novel high-nuclear 3d-4f clusters with mixed amino acids as ligands: {Ln6Cu24}(Ln = Gd, Tb, Pr and Sm).","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6510","6515","10.1039/c4dt03847a","","","0.71073","MoKα","","0.0919","0.0742","","","0.2092","0.2307","","","","","","1.09","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034052","18.793","0.005","19.154","0.006","19.17","0.005","118.791","0.007","95.852","0.012","102.806","0.016","5718","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H200 Cl18 Cu24 N18 O177 Pr6 -","- C46 H122 Cl18 Cu24 N18 O177 Pr6 -","- C46 H122 Cl18 Cu24 N18 O177 Pr6 -","1","0.5","","Shen, Chao-Jun; Hu, Sheng-Min; Sheng, Tian-Lu; Xue, Zhen-Zhen; Wu, Xin-Tao","Syntheses, structures, and properties of a series of novel high-nuclear 3d-4f clusters with mixed amino acids as ligands: {Ln6Cu24}(Ln = Gd, Tb, Pr and Sm).","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6510","6515","10.1039/c4dt03847a","","","0.71073","MoKα","","0.1208","0.0894","","","0.2239","0.2568","","","","","","1.076","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034053","18.802","0.003","19.104","0.003","19.128","0.004","118.688","0.004","102.919","0.009","95.555","0.007","5704.8","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H186 Cl18 Cu24 N18 O170 Sm6 -","- C46 H110 Cl18 Cu24 N18 O170 Sm6 -","- C46 H110 Cl18 Cu24 N18 O170 Sm6 -","1","0.5","","Shen, Chao-Jun; Hu, Sheng-Min; Sheng, Tian-Lu; Xue, Zhen-Zhen; Wu, Xin-Tao","Syntheses, structures, and properties of a series of novel high-nuclear 3d-4f clusters with mixed amino acids as ligands: {Ln6Cu24}(Ln = Gd, Tb, Pr and Sm).","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6510","6515","10.1039/c4dt03847a","","","0.71073","MoKα","","0.0828","0.0749","","","0.2107","0.2187","","","","","","1.029","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034054","18.701","","18.9559","0.0001","18.9616","0.0003","118.643","0.003","103.281","0.008","95.222","0.006","5580","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H178 Cl18 Cu24 N18 O170 Tb6 -","- C42 H114 Cl18 Cu24 N18 O170 Tb6 -","- C42 H114 Cl18 Cu24 N18 O170 Tb6 -","1","0.5","","Shen, Chao-Jun; Hu, Sheng-Min; Sheng, Tian-Lu; Xue, Zhen-Zhen; Wu, Xin-Tao","Syntheses, structures, and properties of a series of novel high-nuclear 3d-4f clusters with mixed amino acids as ligands: {Ln6Cu24}(Ln = Gd, Tb, Pr and Sm).","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6510","6515","10.1039/c4dt03847a","","","0.71073","MoKα","","0.0677","0.0628","","","0.1953","0.202","","","","","","1.05","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034055","9.5761","0.0006","10.1949","0.0007","15.8509","0.001","102.611","0.006","96.527","0.005","96.021","0.005","1486.87","0.17","130.65","0.1","130.65","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N2 O4 -","- C15 H19 N2 O4 -","- C60 H76 N8 O16 -","4","2","","Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng","Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6118","6125","10.1039/c4dt03941f","","","0.71073","MoKα","","0.0508","0.0406","","","0.0928","0.0992","","","","","","1.051","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7034056","24.0143","0.0008","10.4711","0.0005","21.5686","0.0007","90","","92.242","0.003","90","","5419.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 F18 Gd N4 O14 -","- C45 H41 F18 Gd N4 O14 -","- C180 H164 F72 Gd4 N16 O56 -","4","0.5","","Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng","Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6118","6125","10.1039/c4dt03941f","","","0.71073","MoKα","","0.0344","0.0301","","","0.0608","0.0637","","","","","","1.052","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034057","12.9249","0.0004","16.959","0.0004","26.6066","0.001","90","","110.593","0.003","90","","5459.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 F18 N4 O14 Tb -","- C45 H41 F18 N4 O14 Tb -","- C180 H164 F72 N16 O56 Tb4 -","4","1","","Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng","Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6118","6125","10.1039/c4dt03941f","","","0.71073","MoKα","","0.0565","0.0396","","","0.0678","0.0764","","","","","","1.034","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034058","23.9453","0.001","10.4449","0.0006","21.5316","0.0008","90","","92.426","0.003","90","","5380.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Dy F18 N4 O14 -","- C45 H41 Dy F18 N4 O14 -","- C180 H164 Dy4 F72 N16 O56 -","4","0.5","","Li, Lei-Lei; Liu, Shuang; Zhang, Yuan; Shi, Wei; Cheng, Peng","Three new mononuclear tri-spin lanthanide-nitronyl nitroxide radical compounds: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6118","6125","10.1039/c4dt03941f","","","0.71073","MoKα","","0.0434","0.0382","","","0.0786","0.0825","","","","","","1.029","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034059","13.533","0.003","14.266","0.003","16.867","0.004","91.18","0.02","108.18","0.02","111.57","0.02","2843.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H115 Dy2 Mn6 N18 O42.5 -","- C102 H115 Dy2 Mn6 N18 O42.5 -","- C102 H115 Dy2 Mn6 N18 O42.5 -","1","0.5","","Tziotzi, Thomais G.; Kalofolias, Dimitris A.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","A family of [Mn(III)6Ln(III)2] rod-like clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6082","6088","10.1039/c5dt00300h","","","0.71073","MoKα","","0.066","0.0456","","","0.0997","0.11","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034060","13.514","0.004","14.234","0.005","16.827","0.005","90.99","0.03","108.18","0.03","111.68","0.04","2825.3","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H115 Er2 Mn6 N18 O42.5 -","- C102 H115 Er2 Mn6 N18 O42.5 -","- C102 H115 Er2 Mn6 N18 O42.5 -","1","0.5","","Tziotzi, Thomais G.; Kalofolias, Dimitris A.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","A family of [Mn(III)6Ln(III)2] rod-like clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6082","6088","10.1039/c5dt00300h","","","0.71073","MoKα","","0.1221","0.0582","","","0.0891","0.0971","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034061","9.7136","0.0004","13.3724","0.0006","15.3575","0.0007","91.806","0.004","103.465","0.003","97.606","0.003","1918.92","0.15","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H50 B N O2 P2 S Si Yb -","- C36 H50 B N O2 P2 S Si Yb -","- C72 H100 B2 N2 O4 P4 S2 Si2 Yb2 -","2","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.0475","0.0333","","","0.0813","0.0869","","","","","","1.043","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034062","9.843","0.002","11.425","0.002","36.05","0.007","90","","97.48","0.03","90","","4019.6","1.4","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Y -","- C36 H54 B2 N O2 P2 S Si Y -","- C144 H216 B8 N4 O8 P8 S4 Si4 Y4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.1074","0.0523","","","0.0688","0.0795","","","","","","0.909","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034063","12.863","0.0005","14.1648","0.0005","15.3321","0.0006","107.559","0.003","106.975","0.003","96.833","0.003","2480.8","0.18","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C32 H46 B2 N O P2 S Si Sm -","- C32 H46 B2 N O P2 S Si Sm -","- C64 H92 B4 N2 O2 P4 S2 Si2 Sm2 -","2","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.0514","0.0431","","","0.1096","0.1135","","","","","","0.99","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034064","9.8355","0.0003","11.4119","0.0004","36.158","0.0011","90","","97.657","0.002","90","","4022.2","0.2","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Tb -","- C36 H54 B2 N O2 P2 S Si Tb -","- C144 H216 B8 N4 O8 P8 S4 Si4 Tb4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.1072","0.0531","","","0.1162","0.1384","","","","","","0.891","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034065","9.8348","0.0007","11.4038","0.0006","36.103","0.003","90","","97.516","0.006","90","","4014.3","0.5","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Dy N O2 P2 S Si -","- C36 H54 B2 Dy N O2 P2 S Si -","- C144 H216 B8 Dy4 N4 O8 P8 S4 Si4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.1069","0.0638","","","0.1304","0.1448","","","","","","1.005","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034066","9.835","0.002","11.424","0.002","36.01","0.007","90","","97.21","0.03","90","","4013.9","1.4","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Er N O2 P2 S Si -","- C36 H54 B2 Er N O2 P2 S Si -","- C144 H216 B8 Er4 N4 O8 P8 S4 Si4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.1049","0.0659","","","0.1551","0.181","","","","","","1.009","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034067","9.8319","0.0002","11.594","0.0003","35.947","0.0009","90","","97.227","0.002","90","","4065.08","0.17","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Yb -","- C36 H54 B2 N O2 P2 S Si Yb -","- C144 H216 B8 N4 O8 P8 S4 Si4 Yb4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.0411","0.0278","","","0.0595","0.0624","","","","","","0.916","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034068","9.7913","0.0004","11.4667","0.0004","35.8275","0.0019","90","","97.003","0.004","90","","3992.5","0.3","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Lu N O2 P2 S Si -","- C36 H54 B2 Lu N O2 P2 S Si -","- C144 H216 B8 Lu4 N4 O8 P8 S4 Si4 -","4","1","","Schmid, Matthias; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methane rare-earth borohydride complexes: synthesis, structures and polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12338","12348","10.1039/c4dt04034a","","","0.71073","MoKα","","0.1125","0.0652","","","0.1283","0.1441","","","","","","1.015","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034069","11.7441","0.001","14.5289","0.0012","15.3188","0.0013","80.14","0.001","69.854","0.001","71.352","0.001","2319.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[(Ar[t-Bu]N)3Ti]2(4,4'-bpy)","","","- C101 H144 N8 Ti2 -","- C101 H144 N8 Ti2 -","- C101 H144 N8 Ti2 -","1","0.5","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.061","0.0528","","","0.1508","0.1595","","","","","","1.058","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034070","12.9999","0.0016","14.4638","0.0018","35.939","0.005","82.097","0.002","80.086","0.002","83.947","0.002","6570.2","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{[(Ar[t-Bu]N)3Ti]2(4,4'-bpy)}{B(C6F5)4}2","","","- C136 H120 B2 F42 N8 Ti2 -","- C136 H120 B2 F42 N8 Ti2 -","- C272 H240 B4 F84 N16 Ti4 -","2","1","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.0727","0.0457","","","0.0947","0.1034","","","","","","1.041","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034071","13.3","0.0011","13.593","0.0011","19.2817","0.0015","107.974","0.001","95.319","0.001","95.813","0.002","3270.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ti(N[t-Bu]Ar)3(thf)][B(C6F5)4]","","","- C68 H72 B F20 N3 O2 Ti -","- C68 H72 B F20 N3 O2 Ti -","- C136 H144 B2 F40 N6 O4 Ti2 -","2","1","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.056","0.0399","","","0.0895","0.0984","","","","","","1.03","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034072","16.8241","0.0015","20.9559","0.0019","17.3595","0.0015","90","","99.905","0.002","90","","6029.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ti(N[t-Bu]Ar)3][B(C6F5)4]","","","- C63 H59.9 B F20.22 N3 Ti -","- C63 H59.9 B F20.22 N3 Ti -","- C252 H239.6 B4 F80.88 N12 Ti4 -","4","1","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.0769","0.0424","","","0.0845","0.0998","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034073","19.7299","0.0009","19.7299","0.0009","19.7299","0.0009","90","","90","","90","","7680.2","0.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","(Ar[t-Bu]N)3Ti(O-n-Bu)","","","- C40 H63 N3 O Ti -","- C40.008 H63.018 N3 O Ti0.33 -","- C320.064 H504.144 N24 O8 Ti2.64 -","8","0.333333","","Spinney, Heather A.; Clough, Christopher R.; Cummins, Christopher C.","The titanium tris-anilide cation [Ti(N[(t)Bu]Ar)3](+) stabilized as its perfluoro-tetra-phenylborate salt: structural characterization and synthesis in connection with redox activity of 4,4'-bipyridine dititanium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6784","6796","10.1039/c5dt00105f","","","0.71073","MoKα","","0.0714","0.0532","","","0.1402","0.1626","","","","","","1.076","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034074","9.215","0.0002","13.4773","0.0003","17.1221","0.0004","90","","97.697","0.002","90","","2107.29","0.08","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B Cl N2 O -","- C20 H28 B Cl N2 O -","- C80 H112 B4 Cl4 N8 O4 -","4","1","","Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.","Intramolecular N-coordination in ketiminoboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5284","5287","10.1039/c5dt00196j","","","0.71069","MoKα","","0.1606","0.0928","","","0.1594","0.1786","","","","","","1.276","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034075","9.934","0.003","12.29","0.004","21.001","0.007","90","","90","","90","","2564","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 B2 F5 N2 -","- C12 H9 B2 F5 N2 -","- C96 H72 B16 F40 N16 -","8","1","","Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.","Intramolecular N-coordination in ketiminoboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5284","5287","10.1039/c5dt00196j","","","0.71073","MoKα","","0.0566","0.0482","","","0.1307","0.1389","","","","","","1.061","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034076","9.3835","0.0001","12.8596","0.0003","16.6196","0.0003","90","","99.1807","0.0012","90","","1979.77","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 B Cl N3 O -","- C19 H27 B Cl N3 O -","- C76 H108 B4 Cl4 N12 O4 -","4","2","","Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.","Intramolecular N-coordination in ketiminoboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5284","5287","10.1039/c5dt00196j","","","0.71073","MoKα","","0.0633","0.0454","","","0.0973","0.1058","","","","","","1.041","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034077","4.8213","0.0004","14.2939","0.0012","15.8175","0.0014","90","","93.892","0.0018","90","","1087.55","0.16","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O2 S -","- C12 H8 N2 O2 S -","- C48 H32 N8 O8 S4 -","4","1","","Mahapatra, Ajit Kumar; Mondal, Sanchita; Manna, Saikat Kumar; Maiti, Kalipada; Maji, Rajkishor; Uddin, Md Raihan; Mandal, Sukhendu; Sarkar, Deblina; Mondal, Tapan Kumar; Maiti, Dilip Kumar","A new selective chromogenic and turn-on fluorogenic probe for copper(ii) in solution and vero cells: recognition of sulphide by [CuL].","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6490","6501","10.1039/c4dt03969f","","","0.71073","MoKα","","0.0397","0.0356","","","0.1142","0.1194","","","","","","1.086","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034078","15.4328","0.0003","18.1148","0.0003","18.7053","0.0003","90","","90","","90","","5229.29","0.16","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H49 N4 Na Zn -","- C21 H49 N4 Na Zn -","- C168 H392 N32 Na8 Zn8 -","8","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","1.5418","CuKα","","0.0355","0.0348","","","0.0953","0.0959","","","","","","1.093","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034079","29.1528","0.001","9.1827","0.0003","18.4451","0.0006","90","","90","","90","","4937.8","0.3","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H47 Li N4 Zn -","- C19 H47 Li N4 Zn -","- C152 H376 Li8 N32 Zn8 -","8","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","0.71073","MoKα","","0.0867","0.0457","","","0.0881","0.1026","","","","","","1.021","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034080","13.5126","0.0009","12.4361","0.0008","15.2536","0.001","90","","91.834","0.006","90","","2562","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 Al Li N2 O -","- C23 H50 Al Li N2 O -","- C92 H200 Al4 Li4 N8 O4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","0.71073","MoKα","","0.0569","0.0419","","","0.1037","0.1132","","","","","","1.029","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034081","10.3686","0.0002","9.9831","0.0002","21.6606","0.0004","90","","100.177","0.002","90","","2206.83","0.07","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Li N2 Zn -","- C21 H39 Li N2 Zn -","- C84 H156 Li4 N8 Zn4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","1.5418","CuKα","","0.0537","0.0498","","","0.1565","0.1594","","","","","","1.086","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034082","28.096","0.003","28.096","0.003","16.694","0.002","90","","90","","90","","13178","3","93","","93","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C32 H74 Hg N8 P4 Se4 -","- C32 H74 Hg N8 P4 Se4 -","- C256 H592 Hg8 N64 P32 Se32 -","8","1","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","0.0953","0.0575","","","0.1837","0.2089","","","","","","1.038","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034083","16.921","0.006","14.566","0.005","17.507","0.006","90","","94.846","0.01","90","","4300","3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 Ag N6 P2 Se2 -","- C37 H61 Ag N6 P2 Se2 -","- C148 H244 Ag4 N24 P8 Se8 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","0.1394","0.0874","","","0.2198","0.2517","","","","","","1.032","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034084","14.449","0.003","27.568","0.006","25.838","0.006","90","","94.091","0.005","90","","10266","4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H152 Ag4 N16 O0.5 P8 Se8 -","- C66 H152 Ag4 N16 O0.5 P8 Se8 -","- C264 H608 Ag16 N64 O2 P32 Se32 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","0.1298","0.0742","","","0.1803","0.2151","","","","","","1.14","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034085","20.606","0.002","20.606","0.002","10.6403","0.0011","90","","90","","120","","3912.7","0.7","93","","93","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C48 H111 Au3 N12 P6 Se6 -","- C48 H117 Au3 N12 P6 Se6 -","- C96 H234 Au6 N24 P12 Se12 -","2","0.166667","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","","0.0571","","","","0.1676","","","","","","1.08","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034086","31.316","0.004","18.931","0.002","17.846","0.002","90","","90","","90","","10580","2","93","","93","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H146 Au6 N16 P8 S8 -","- C64 H146 Au6 N16 P8 S8 -","- C256 H584 Au24 N64 P32 S32 -","4","0.5","","Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram","Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5338","5346","10.1039/c5dt00159e","","","0.71075","MoKα","","","0.0339","","","","0.1105","","","","","","1.045","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034087","11.1993","0.0009","11.1993","0.0009","26.5836","0.0018","90","","90","","120","","2887.5","0.4","128","2","128","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Dy N4 O9 -","- C18 H13 Dy N4 O9 -","- C108 H78 Dy6 N24 O54 -","6","1","","Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6169","6174","10.1039/c5dt00205b","","","0.71073","MoKα","","0.0311","0.0282","","","0.053","0.055","","","","","","1.028","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034088","11.2159","0.0008","11.2159","0.0008","26.5973","0.0018","90","","90","","120","","2897.6","0.4","128","2","128","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Dy N4 O9 -","- C18 H13 Dy N4 O9 -","- C108 H78 Dy6 N24 O54 -","6","1","","Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6169","6174","10.1039/c5dt00205b","","","0.71073","MoKα","","0.0365","0.0338","","","0.074","0.077","","","","","","1.041","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034089","17.37","0.002","10.0067","0.0012","17.554","0.002","90","","110.743","0.002","90","","2853.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Cl F6 N3 P Ru -","- C26 H35 Cl F6 N3 P Ru -","- C104 H140 Cl4 F24 N12 P4 Ru4 -","4","1","","Purkait, Kallol; Karmakar, Subhendu; Bhattacharyya, Sudipta; Chatterjee, Saptarshi; Dey, Suman Kr; Mukherjee, Arindam","A hypoxia efficient imidazole-based Ru(ii) arene anticancer agent resistant to deactivation by glutathione.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5969","5973","10.1039/c4dt03983a","","","0.71073","MoKα","","0.0574","0.0422","","","0.104","0.1144","","","","","","1.055","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034090","12.6367","0.0008","16.8848","0.0011","21.6085","0.0014","87.781","0.005","87.412","0.005","73.944","0.005","4424.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H117 Cl4 N7 O6 Ta2 -","- C78 H111 Cl4 N5 O6 Ta2 -","- C156 H222 Cl8 N10 O12 Ta4 -","2","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.1055","0.0818","","","0.2159","0.2258","","","","","","0.94","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034091","17.5553","0.0017","19.1574","0.0015","22.552","0.003","74.926","0.008","81.846","0.009","73.063","0.007","6988","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H194 Cl N6 Nb O8 -","- C139 H192.5 Cl N5.5 Nb O8 -","- C278 H385 Cl2 N11 Nb2 O16 -","2","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.2149","0.0822","","","0.1846","0.2375","","","","","","0.791","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034092","10.8601","0.0008","12.151","0.0009","17.9452","0.0013","72.153","0.013","79.492","0.015","77.185","0.014","2181.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H110 Cl6 N8 Nb2 O4 -","- C80 H110 Cl6 N8 Nb2 O4 -","- C80 H110 Cl6 N8 Nb2 O4 -","1","0.5","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.1382","0.0774","","","0.1761","0.207","","","","","","1.045","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034093","12.6086","0.0009","16.8197","0.0012","21.7135","0.0015","89.714","0.002","86.846","0.002","73.006","0.002","4396.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.3 H117.41 Cl4 N5.5 Nb2 O6 -","- C83.298 H117.412 Cl4 N5.5 Nb2 O6 -","- C166.596 H234.824 Cl8 N11 Nb4 O12 -","2","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.0658","0.0568","","","0.1595","0.1685","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034094","30.358","0.002","17.6674","0.0012","24.5131","0.0017","90","","93.6385","0.0017","90","","13121","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C137 H189.5 Cl N4.5 Nb O8 -","- C136.5 H188.75 Cl N4.25 Nb O8 -","- C546 H755 Cl4 N17 Nb4 O32 -","4","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.1349","0.072","","","0.1493","0.1833","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034095","11.778","0.011","15.19","0.015","18.55","0.02","68.19","0.03","83.42","0.05","69.19","0.04","2880","5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H90 O4 -","- C64 H90 O4 -","- C128 H180 O8 -","2","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.6889","synchrotron","","0.1921","0.1157","","","0.2572","0.3131","","","","","","1.097","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034096","14.643","0.001","15.4125","0.0011","16.1202","0.0011","75.412","0.012","69.309","0.011","73.026","0.012","3209.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H96 N2 O4 -","- C68 H96 N2 O4 -","- C136 H192 N4 O8 -","2","1","","Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl","Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12349","12356","10.1039/c5dt00272a","","","0.71073","MoKα","","0.2856","0.146","","","0.3418","0.4837","","","","","","1.031","","","","has coordinates,has disorder","180046","2020-10-21","18:00:00",""
"7034097","9.6604","0.0005","13.1537","0.0006","20.3412","0.001","99.305","0.004","94.696","0.004","93.57","0.004","2534.7","0.2","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","SB-28","","- C56 H50 Br Cl Cu N3 O P2 S2 -","- C56 H50 Br Cl Cu N3 O P2 S2 -","- C112 H100 Br2 Cl2 Cu2 N6 O2 P4 S4 -","2","1","","Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam","Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA","Dalton Trans.","2015","","","","","10.1039/C4DT03764B","","x-ray","0.71073","MoKα","","0.0754","0.0476","","","0.1268","0.1399","","","","","","1.033","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034098","9.4984","0.0004","13.1221","0.0005","20.6583","0.0009","100.185","0.003","95.359","0.003","96.502","0.003","2500.96","0.18","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","SB-27","","- C56 H47 Br Cl Cu N4 P2 S -","- C56 H47 Br Cl Cu N4 P2 S -","- C112 H94 Br2 Cl2 Cu2 N8 P4 S2 -","2","1","","Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam","Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA","Dalton Trans.","2015","","","","","10.1039/C4DT03764B","","x-ray","0.71073","MoKα","","0.0352","0.03","","","0.0784","0.0811","","","","","","1.033","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034099","13.3041","0.0005","5.8394","0.0002","23.1869","0.0009","90","","102.115","0.002","90","","1761.22","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu F N4 O S -","- C19 H15 Cu F N4 O S -","- C76 H60 Cu4 F4 N16 O4 S4 -","4","1","","Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam","Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA","Dalton Trans.","2015","","","","","10.1039/C4DT03764B","","","0.71073","MoKα","","0.0581","0.0345","","","0.0796","0.0885","","","","","","1.015","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034100","8.9472","0.0015","9.8129","0.0016","14.928","0.002","85.086","0.003","72.973","0.003","80.782","0.003","1236","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl4 Cu4 N16 O2 S4 -","- C44 H40 Cl4 Cu4 N16 O2 S4 -","- C44 H40 Cl4 Cu4 N16 O2 S4 -","1","0.5","","Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam","Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA","Dalton Trans.","2015","","","","","10.1039/C4DT03764B","","","0.71073","MoKα","","0.1261","0.0743","","","0.1738","0.1963","","","","","","1.018","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034101","8.5828","0.0008","9.3672","0.0009","15.0847","0.0014","77.423","0.001","86.634","0.001","70.063","0.001","1112.56","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H31 La N7 Sb Se4 -","- C10 H31 La N7 Sb Se4 -","- C20 H62 La2 N14 Sb2 Se8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0193","0.0179","","","0.0414","0.042","","","","","","1.07","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034102","8.5633","0.0006","9.3321","0.0007","15.0413","0.0011","77.335","0.001","86.765","0.001","70.034","0.001","1102.05","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H31 Ce N7 Sb Se4 -","- C10 H31 Ce N7 Sb Se4 -","- C20 H62 Ce2 N14 Sb2 Se8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0282","0.0232","","","0.0552","0.0572","","","","","","1.038","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034103","8.5433","0.0004","9.3151","0.0005","15.0116","0.0007","77.375","0.001","86.86","0.001","70.188","0.001","1096.52","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H31 N7 Pr Sb Se4 -","- C10 H31 N7 Pr Sb Se4 -","- C20 H62 N14 Pr2 Sb2 Se8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0217","0.0199","","","0.0465","0.0472","","","","","","1.083","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034104","12.1347","0.0011","16.1264","0.0014","16.851","0.0015","94.795","0.002","91.429","0.002","90.047","0.002","3285","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 N20 O4 Sb2 Se8 Y4 -","- C32 H96 Cl2 N20 O4 Sb2 Se8 Y4 -","- C64 H192 Cl4 N40 O8 Sb4 Se16 Y8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0461","0.0341","","","0.0782","0.0835","","","","","","1.026","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034105","12.3543","0.0011","15.9786","0.0014","16.9982","0.0015","96.09","0.002","92.185","0.002","90.169","0.002","3334.1","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 N20 O4 Sb2 Se8 Sm4 -","- C32 H96 Cl2 N20 O4 Sb2 Se8 Sm4 -","- C64 H192 Cl4 N40 O8 Sb4 Se16 Sm8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0818","0.0593","","","0.1402","0.151","","","","","","1.106","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034106","12.2255","0.0007","16.0958","0.001","16.9124","0.001","95.292","0.001","91.444","0.001","90.141","0.001","3312.7","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 Gd4 N20 O4 Sb2 Se8 -","- C32 H96 Cl2 Gd4 N20 O4 Sb2 Se8 -","- C64 H192 Cl4 Gd8 N40 O8 Sb4 Se16 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0389","0.0316","","","0.0759","0.0798","","","","","","1.04","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034107","12.201","0.0005","16.0912","0.0008","16.9143","0.0008","95.272","0.001","91.661","0.001","90.105","0.001","3305.3","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 N20 O4 Sb2 Se8 Tb4 -","- C32 H96 Cl2 N20 O4 Sb2 Se8 Tb4 -","- C64 H192 Cl4 N40 O8 Sb4 Se16 Tb8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0534","0.037","","","0.0831","0.0911","","","","","","1.021","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034108","12.1275","0.0009","16.0908","0.0011","16.8346","0.0012","94.859","0.001","91.546","0.001","90.081","0.001","3272.1","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 Dy4 N20 O4 Sb2 Se8 -","- C32 H85 Cl2 Dy4 N20 O4 Sb2 Se8 -","- C64 H170 Cl4 Dy8 N40 O8 Sb4 Se16 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0469","0.0357","","","0.0956","0.1034","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034109","12.0718","0.0003","16.1142","0.0004","16.8028","0.0005","94.623","0.002","91.441","0.002","90.077","0.002","3256.92","0.15","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H96 Cl2 N20 O4 Sb2 Se8 Tm4 -","- C32 H96 Cl2 N20 O4 Sb2 Se8 Tm4 -","- C64 H192 Cl4 N40 O8 Sb4 Se16 Tm8 -","2","1","","Xiao, Hong-Ping; Zhou, Jian; Zhao, Rong-Qing; Zhang, Wei-Bing; Huang, Yong","A series of lanthanoid selenidoantimonates(v): rare examples of lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6032","6039","10.1039/c5dt00146c","","","0.71073","MoKα","","0.0484","0.0389","","","0.0855","0.0927","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034110","10.6073","0.0002","16.4222","0.0004","21.8033","0.0004","90","","103.173","0.001","90","","3698.09","0.13","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 B3 O8 Re2 Ru2 S2 -","- C29 H34 B3 O8 Re2 Ru2 S2 -","- C116 H136 B12 O32 Re8 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","x-ray","0.71073","MoKα","","0.0334","0.0259","","","0.0521","0.0545","","","","","","1.037","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034111","12.4115","0.0003","15.6418","0.0004","18.9999","0.0004","90","","99.573","0.002","90","","3637.24","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound 3","","- C30 H34 O9 Re2 Ru2 S2 -","- C30 H34 O9 Re2 Ru2 S2 -","- C120 H136 O36 Re8 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","","0.71073","MoKα","","0.0624","0.0518","","","0.133","0.1443","","","","","","1.069","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034112","16.489","0.003","18.36","0.004","19.101","0.004","90","","90","","90","","5783","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25.5 H33 Cl O4 Re Ru2 S2 -","- C25.5 H33 Cl O4 Re Ru2 S2 -","- C204 H264 Cl8 O32 Re8 Ru16 S16 -","8","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","","0.71073","MoKα","","0.0867","0.0498","","","0.1031","0.1242","","","","","","1.106","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034113","14.0465","0.0007","9.2479","0.0004","15.2684","0.0005","90","","104.888","0.004","90","","1916.79","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Mn O5 Ru S -","- C16 H18 Mn O5 Ru S -","- C64 H72 Mn4 O20 Ru4 S4 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","","0.71073","MoKα","","0.0862","0.0556","","","0.1347","0.1846","","","","","","1.037","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034114","19.161","0.0006","8.481","0.0002","26.7034","0.0007","90","","111.438","0.001","90","","4039.19","0.19","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Fe2 O7 Ru S -","- C17 H16 Fe2 O7 Ru S -","- C136 H128 Fe16 O56 Ru8 S8 -","8","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","x-ray","0.71073","MoKα","","0.0588","0.038","","","0.077","0.0878","","","","","","1.025","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034115","27.533","0.006","19.525","0.004","23.435","0.005","90","","111.63","0.03","90","","11711","5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.75 H26.25 Cl5.25 N2 O3.25 Pd -","- C25.75 H26.25 Cl5.25 N2 O3.25 Pd -","- C412 H420 Cl84 N32 O52 Pd16 -","16","4","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.2822","0.0958","","","0.1419","0.1947","","","","","","0.822","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7034116","26.91","0.008","14.159","0.004","15.463","0.005","90","","110.788","0.006","90","","5508","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H40.5 N2 O3 Pd -","- C27 H30 N2 O3 Pd -","- C216 H240 N16 O24 Pd8 -","8","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.0713","0.049","","","0.1019","0.1084","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034117","16.155","0.004","13.91","0.003","13.36","0.003","90","","109.643","0.005","90","","2827.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H29.5 Cl4.5 N2 O3 Pd -","- C25 H28 N2 O3 Pd -","- C100 H112 N8 O12 Pd4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.194","0.0695","","","0.1575","0.1815","","","","","","0.725","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034118","16.64","0.006","10.96","0.004","17.137","0.006","90","","116.252","0.005","90","","2803","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cl2 N2 O3 Pd -","- C29 H36 Cl2 N2 O3 Pd -","- C116 H144 Cl8 N8 O12 Pd4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.0439","0.0373","","","0.0935","0.0966","","","","","","1.059","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034119","17.785","0.004","8.6156","0.0019","16.469","0.004","90","","110.168","0.004","90","","2368.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl4 N2 O Pd -","- C23 H22 Cl4 N2 O Pd -","- C92 H88 Cl16 N8 O4 Pd4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.1026","0.0554","","","0.083","0.0938","","","","","","0.897","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034120","13.264","0.011","13.822","0.011","17.16","0.014","80.989","0.015","78.907","0.015","64.369","0.013","2774","4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 F3 N4 O4 Pd S -","- C27 H27 F3 N4 O4 Pd S -","- C108 H108 F12 N16 O16 Pd4 S4 -","4","2","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.157","0.0999","","","0.2351","0.2619","","","","","","1.033","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034121","7.6425","0.0019","11.027","0.003","20.59","0.005","90","","93.528","0.005","90","","1731.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.0705","0.0489","","","0.1054","0.1147","","","","","","0.981","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034122","9.166","0.006","16.955","0.011","13.033","0.009","90","","102.965","0.011","90","","1974","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6040","6051","10.1039/c5dt00062a","","","0.71073","MoKα","","0.0708","0.0528","","","0.1289","0.1385","","","","","","1.03","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034123","11.361","0.002","13.25","0.003","15.572","0.003","66.81","0.03","78.1","0.03","74.92","0.03","2066.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 I12 N10 O12 Pb4 -","- C58 H50 I12 N10 O12 Pb4 -","- C58 H50 I12 N10 O12 Pb4 -","1","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Jiao, Chen; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","A panchromatic hybrid crystal of iodoplumbate nanowires and J-aggregated naphthalene diimides with long-lived charge-separated states.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5957","5960","10.1039/c4dt03785e","","","0.71073","MoKα","","0.0599","0.0404","","","0.0933","0.1059","","","","","","1.038","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034124","15.786","0.003","8.5029","0.0017","17.617","0.004","90","","102.38","0.03","90","","2309.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 I2 N4 O5 -","- C24 H16 I2 N4 O5 -","- C96 H64 I8 N16 O20 -","4","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Jiao, Chen; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","A panchromatic hybrid crystal of iodoplumbate nanowires and J-aggregated naphthalene diimides with long-lived charge-separated states.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5957","5960","10.1039/c4dt03785e","","","0.71073","MoKα","","0.0319","0.0305","","","0.0749","0.0757","","","","","","1.179","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034125","12.006","0.002","7.4721","0.0015","16.822","0.006","90","","117.21","0.02","90","","1342.1","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 I2 N4 O4 -","- C28 H22 I2 N4 O4 -","- C56 H44 I4 N8 O8 -","2","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Jiao, Chen; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","A panchromatic hybrid crystal of iodoplumbate nanowires and J-aggregated naphthalene diimides with long-lived charge-separated states.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5957","5960","10.1039/c4dt03785e","","","0.71073","MoKα","","0.0606","0.0535","","","0.1329","0.1386","","","","","","1.074","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034126","16.089","0.015","17.155","0.017","18.684","0.019","71.523","0.016","80.787","0.019","62.199","0.015","4326","7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H82 Cl5 N8 O16 Tb3 -","- C71 H64 Cl5 N8 O16 Tb3 -","- C142 H128 Cl10 N16 O32 Tb6 -","2","1","","Zhang, Zhao; Feng, Heini; Liu, Lin; Yu, Chao; Lü, Xingqiang; Zhu, Xunjin; Wong, Wai-Kwok; Jones, Richard A.; Pan, Mei; Su, Chengyong","The first example of Tb3-containing metallopolymer-type hybrid materials with efficient and high color-purity green luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6229","6241","10.1039/c5dt00141b","","","0.71073","MoKα","","0.1798","0.0975","","","0.248","0.3223","","","","","","0.976","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034127","22.085","0.003","11.394","0.0013","20.578","0.003","90","","111.243","0.011","90","","4826.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Eu F4 N4 O10 -","- C17 H21 Eu F4 N4 O10 -","- C136 H168 Eu8 F32 N32 O80 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0565","0.0329","","","0.0706","0.0752","","","","","","0.92","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034128","22.118","0.004","11.3996","0.0016","20.57","0.004","90","","111.147","0.017","90","","4837.2","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 F4 Gd N4 O10 -","- C17 H21 F4 Gd N4 O10 -","- C136 H168 F32 Gd8 N32 O80 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.133","0.0637","","","0.1248","0.1444","","","","","","0.809","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034129","22.157","0.003","11.368","0.0013","20.566","0.003","90","","111.047","0.011","90","","4834.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 F4 N4 O10 Tb -","- C17 H21 F4 N4 O10 Tb -","- C136 H168 F32 N32 O80 Tb8 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0661","0.044","","","0.1033","0.1139","","","","","","0.924","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034130","22.047","0.004","11.3219","0.0015","20.515","0.006","90","","111.38","0.02","90","","4768.4","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 F4 Ho N4 O10 -","- C17 H21 F4 Ho N4 O10 -","- C136 H168 F32 Ho8 N32 O80 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.1003","0.0698","","","0.1689","0.1798","","","","","","0.915","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034131","22.007","0.002","11.2742","0.001","20.484","0.002","90","","111.459","0.008","90","","4730","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 F4 N4 O10 Tm -","- C17 H21 F4 N4 O10 Tm -","- C136 H168 F32 N32 O80 Tm8 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0325","0.0289","","","0.0766","0.079","","","","","","1.037","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034132","10.9816","0.0013","11.1645","0.0013","11.5291","0.0012","101.818","0.009","104.289","0.009","101.705","0.009","1292","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F4 N6 O12 Sm -","- C16 H21 F4 N6 O12 Sm -","- C32 H42 F8 N12 O24 Sm2 -","2","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0789","0.0457","","","0.0752","0.0863","","","","","","1.084","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034133","10.9465","0.0005","11.1155","0.0005","11.4684","0.0005","101.707","0.003","104.3","0.003","101.651","0.003","1276.49","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 Eu F4 N6 O12 -","- C16 H21 Eu F4 N6 O12 -","- C32 H42 Eu2 F8 N12 O24 -","2","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0256","0.0233","","","0.0577","0.0599","","","","","","1.072","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034134","15.4609","0.0017","15.0599","0.0015","16.7057","0.0015","90","","90","","90","","3889.7","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 Ho N O9 S2 -","- C12 H12 F4 Ho N O9 S2 -","- C96 H96 F32 Ho8 N8 O72 S16 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.1217","0.0469","","","0.0606","0.0749","","","","","","0.903","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034135","15.4177","0.0013","15.0482","0.0009","16.6749","0.0011","90","","90","","90","","3868.7","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Er F4 N O9 S2 -","- C12 H12 Er F4 N O9 S2 -","- C96 H96 Er8 F32 N8 O72 S16 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.044","0.0351","","","0.0889","0.1013","","","","","","1.105","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034136","15.3508","0.0004","14.9676","0.0004","16.5758","0.0006","90","","90","","90","","3808.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 N O9 S2 Tm -","- C12 H12 F4 N O9 S2 Tm -","- C96 H96 F32 N8 O72 S16 Tm8 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0409","0.028","","","0.064","0.0686","","","","","","1.026","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034137","9.5559","0.0007","12.9988","0.001","12.8588","0.0009","90","","111.61","0.001","90","","1484.99","0.19","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H21 B9 S3 -","- C6 H21 B9 S3 -","- C24 H84 B36 S12 -","4","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0396","0.0325","","","0.0681","0.0705","","","","","","0.952","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034138","27.9281","0.0012","9.3091","0.0004","8.0289","0.0003","90","","90","","90","","2087.4","0.15","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H21 B9 O4 S3 W -","- C10 H21 B9 O4 S3 W -","- C40 H84 B36 O16 S12 W4 -","4","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0214","0.0178","","","0.0357","0.0367","","","","","","0.984","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034139","7.778","0.0006","10.1928","0.0007","9.3394","0.0007","90","","112.947","0.001","90","","681.83","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H19 B9 S2 -","- C5 H19 B9 S2 -","- C10 H38 B18 S4 -","2","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0441","0.0343","","","0.082","0.0891","","","","","","1.062","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034140","16.4654","0.0009","9.0388","0.0005","14.9863","0.0008","90","","116.501","0.001","90","","1996.02","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B9 O5 S2 W -","- C10 H19 B9 O5 S2 W -","- C40 H76 B36 O20 S8 W4 -","4","1","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.028","0.0234","","","0.063","0.0649","","","","","","1.016","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034141","7.3013","0.0008","45.559","0.005","12.7794","0.0014","90","","91.404","0.002","90","","4249.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 B9 O4 S3 W -","- C10 H21 B9 O4 S3 W -","- C80 H168 B72 O32 S24 W8 -","8","2","","Timofeev, Sergey V.; Zhidkova, Olga B.; Mosolova, Elena M.; Sivaev, Igor B.; Godovikov, Ivan A.; Suponitsky, Kyrill Yu; Starikova, Zoya A.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with charge-compensated nido-carboranyl thioether ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6449","6456","10.1039/c5dt00176e","","","0.71073","MoKα","","0.0396","0.0345","","","0.0616","0.0631","","","","","","1.214","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034142","18.8827","0.0013","23.9699","0.0018","20.0864","0.0014","90","","102.832","0.007","90","","8864.4","1.1","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(NEt4)[MoOSi(t-Bu)Ph2{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-5(CH3CN)-2(H2O)","","- C174 H222 Mo N10 O7 S4 Si -","- C174 H218 Mo N10 O7 S4 Si -","- C348 H436 Mo2 N20 O14 S8 Si2 -","2","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Onitsuka, Kiyotaka","Efficient uptake of dimethyl sulfoxide by the desoxomolybdenum(iv) dithiolate complex containing bulky hydrophobic groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6260","6267","10.1039/c5dt00075k","","","0.71075","MoKα","","0.1866","0.0908","","","0.2439","0.3094","","","","","","0.966","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034143","18.246","0.003","20.495","0.004","26.099","0.004","93.493","0.007","104.138","0.007","90.07","0.006","9445","3","200","","200","","","","","","","","","7","P -1","-P 1","2","","(NEt4)[WO(OSitBuPh2)[S2C6H2[NHCOC(C6H4tBu)3]2}2]-7/2(CH3CN)-5/2(H2O)","","- C171 H218.5 N8.5 O8.5 S4 Si W -","- C171 H213.5 N8.5 O8.5 S4 Si W -","- C342 H427 N17 O17 S8 Si2 W2 -","2","1","","Hasenaka, Yuki; Okamura, Taka-Aki; Onitsuka, Kiyotaka","Efficient uptake of dimethyl sulfoxide by the desoxomolybdenum(iv) dithiolate complex containing bulky hydrophobic groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6260","6267","10.1039/c5dt00075k","","","0.71075","MoKα","","0.2707","0.1028","","","0.1764","0.2029","","","","","","1.002","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034144","7.8257","0.0013","13.264","0.002","15.137","0.003","100.455","0.003","90.162","0.002","101.805","0.002","1511.2","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cl2 N3 O5 Re S -","- C30 H30 Cl2 N3 O5 Re S -","- C60 H60 Cl4 N6 O10 Re2 S2 -","2","1","","Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli","2-Phenylbenzothiazole conjugated with cyclopentadienyl tricarbonyl [CpM(CO)3] (M = Re, (99m)Tc) complexes as potential imaging probes for β-amyloid plaques.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6406","6415","10.1039/c5dt00023h","","","0.71073","MoKα","","0.0521","0.0463","","","0.1019","0.1065","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034145","20.917","0.003","20.917","0.003","11.136","0.002","90","","90","","90","","4872.2","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H46 Cl4 N2 Ni2 S8 -","- C46 H46 Cl4 N2 Ni2 S8 -","- C184 H184 Cl16 N8 Ni8 S32 -","4","0.5","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.064","0.0584","","","0.1486","0.1535","","","","","","1.101","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034146","14.66","0.003","14.108","0.003","14.217","0.003","90","","90.75","0.03","90","","2940.2","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Fe2 N Ni O5 S4 -","- C24 H15 Fe2 N Ni O5 S4 -","- C96 H60 Fe8 N4 Ni4 O20 S16 -","4","1","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.0985","0.0849","","","0.2312","0.2376","","","","","","1.082","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034147","10.806","0.004","9.836","0.004","14.282","0.005","90","","99.674","0.006","90","","1496.4","1","113","2","113","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C26 H19 Cl2 Fe2 N Ni O6 S4 -","- C26 H19 Cl2 Fe2 N Ni O6 S4 -","- C52 H38 Cl4 Fe4 N2 Ni2 O12 S8 -","2","1","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.0256","0.0227","","","0.0448","0.0451","","","","","","0.993","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034148","18.79","0.0013","10.9143","0.0009","20.023","0.002","90","","92.749","0.003","90","","4101.6","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe N O2 S4 -","- C21 H17 Fe N O2 S4 -","- C168 H136 Fe8 N8 O16 S32 -","8","2","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71075","MoKα","","0.0323","0.0279","","","0.0703","0.0723","","","","","","1.059","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034149","8.1548","0.0016","14.62","0.003","16.658","0.003","90","","93.98","0.03","90","","1981.2","0.7","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl Fe N O S4 -","- C20 H14 Cl Fe N O S4 -","- C80 H56 Cl4 Fe4 N4 O4 S16 -","4","1","","Song, Li-Cheng; Cao, Meng; Wang, Yong-Xiang","Novel reactions of homodinuclear Ni2 complexes [Ni(RNPyS4)]2 with Fe3(CO)12 to give heterotrinuclear NiFe2 and mononuclear Fe complexes relevant to [NiFe]- and [Fe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6797","6808","10.1039/c5dt00067j","","","0.71073","MoKα","","0.0374","0.0292","","","0.0732","0.0764","","","","","","1.016","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034150","9.4334","0.0007","10.5064","0.001","11.3707","0.0012","64.163","0.001","68.397","0.001","70.361","0.002","922.05","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Mn2 N8 O6 -","- C40 H30 Mn2 N8 O6 -","- C40 H30 Mn2 N8 O6 -","1","0.5","","Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin","Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6620","6629","10.1039/c4dt03822c","","","0.71073","MoKα","","0.0422","0.0326","","","0.0818","0.09","","","","","","1.08","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034151","44.504","0.004","14.6592","0.0011","24.169","0.002","90","","103.539","0.002","90","","15330","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H65 Mn4 N10 O18 S7 -","- C54 H64.948 Mn4 N10 O18 S7 -","- C432 H519.584 Mn32 N80 O144 S56 -","8","1","","Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin","Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6620","6629","10.1039/c4dt03822c","","","0.71073","MoKα","","0.1787","0.0902","","","0.2162","0.24","","","","","","1","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034152","11.273","0.0011","12.4619","0.0012","13.9091","0.0014","108.769","0.002","102.03","0.001","91.856","0.001","1799","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 Mn6 N8 O26 S4 -","- C60 H76 Mn6 N8 O26 S4 -","- C60 H76 Mn6 N8 O26 S4 -","1","0.5","","Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin","Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6620","6629","10.1039/c4dt03822c","","","0.71073","MoKα","","0.2154","0.1218","","","0.264","0.3872","","","","","","1.003","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034153","22.683","0.002","22.683","0.002","11.5196","0.0009","90","","90","","90","","5927","0.9","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H48 Mn4 N12 O12 -","- C48 H48 Mn4 N12 O12 -","- C192 H192 Mn16 N48 O48 -","4","0.25","","Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin","Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6620","6629","10.1039/c4dt03822c","","","0.71073","MoKα","","0.1603","0.0647","","","0.1423","0.1582","","","","","","1.009","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034154","9.2195","0.0008","18.7801","0.0019","11.0378","0.0012","90","","114.254","0.002","90","","1742.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Mn2 N4 O10 S4 -","- C28 H34 Mn2 N4 O10 S4 -","- C56 H68 Mn4 N8 O20 S8 -","2","0.5","","Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin","Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6620","6629","10.1039/c4dt03822c","","","0.71073","MoKα","","0.0801","0.0555","","","0.1255","0.1527","","","","","","1.054","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034155","10.6202","0.0003","20.6412","0.0006","11.6374","0.0003","90","","100.196","0.001","90","","2510.79","0.12","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 F6 Fe N5 O2 Sb -","- C20 H28 F6 Fe N5 O2 Sb -","- C80 H112 F24 Fe4 N20 O8 Sb4 -","4","1","","Roux, Y.; Ghattas, W.; Avenier, F.; Guillot, R.; Simaan, A. J.; Mahy, J.-P.","Synthesis and characterization of [Fe(BPMEN)ACC]SbF6: a structural and functional mimic of ACC-oxidase.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5966","5968","10.1039/c5dt00347d","","x-ray","0.71073","MoKα","","0.0531","0.0368","","","0.0806","0.0892","","","","","","1.068","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034156","17.2217","0.0006","20.1069","0.0007","16.9451","0.0006","90","","91.478","0.001","90","","5865.7","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 F12 Fe N6 Sb2 -","- C20 H28 F12 Fe N6 Sb2 -","- C160 H224 F96 Fe8 N48 Sb16 -","8","2","","Roux, Y.; Ghattas, W.; Avenier, F.; Guillot, R.; Simaan, A. J.; Mahy, J.-P.","Synthesis and characterization of [Fe(BPMEN)ACC]SbF6: a structural and functional mimic of ACC-oxidase.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5966","5968","10.1039/c5dt00347d","","x-ray","0.71073","MoKα","","0.0417","0.0304","","","0.0691","0.0751","","","","","","1.021","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034157","9.4059","0.0004","10.4593","0.0005","19.1213","0.0008","89.049","0.004","84.88","0.004","68.014","0.004","1737.08","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Cl2 Fe P2 -","- C40 H38 Cl2 Fe P2 -","- C80 H76 Cl4 Fe2 P4 -","2","1","","Brown, Caleb A.; Nile, Terence A.; Mahon, Mary F.; Webster, Ruth L.","Iron catalysed Negishi cross-coupling using simple ethyl-monophosphines.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12189","12195","10.1039/c5dt00112a","","x-ray","0.71073","MoKα","","0.0638","0.0432","","","0.0814","0.0886","","","","","","1.02","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034158","13.0423","0.0001","24.8523","0.0002","17.0945","0.0001","90","","108.205","0.0004","90","","5263.5","0.07","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H57 B Cl8 Fe N O P -","- C52 H57 B Cl8 Fe N O P -","- C208 H228 B4 Cl32 Fe4 N4 O4 P4 -","4","1","","Niemeyer, J.; Kelly, M. J.; Riddlestone, I. M.; Vidovic, D.; Aldridge, S.","Iminoborylene complexes: evaluation of synthetic routes towards BN-allenylidenes and unexpected reactivity towards carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11294","11305","10.1039/c5dt00131e","","","0.71073","MoKα","","0.059","0.0384","","0.0982","0.0905","0.0982","","","","","","0.9363","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034159","7.8866","0.0004","11.0772","0.0005","12.3944","0.0006","90","","97.45","0.002","90","","1073.65","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 B Cl2 O3 W -","- C8 H5 B Cl2 O3 W -","- C32 H20 B4 Cl8 O12 W4 -","4","1","","Niemeyer, J.; Kelly, M. J.; Riddlestone, I. M.; Vidovic, D.; Aldridge, S.","Iminoborylene complexes: evaluation of synthetic routes towards BN-allenylidenes and unexpected reactivity towards carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11294","11305","10.1039/c5dt00131e","","","0.71073","MoKα","","0.0834","0.0578","","0.1558","0.1389","0.1558","","","","","","1.0061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034160","14.723","0.0011","16.4433","0.0008","17.7704","0.0009","89.99","0.004","83.485","0.005","71.708","0.005","4055.5","0.4","173","","173","","","","","","","","see text","6","P -1","-P 1","2","","","","- C124 H154 Cl16 Cu20 N22 P12 -","- C124 H154 Cl16 Cu20 N22 P12 -","- C124 H154 Cl16 Cu20 N22 P12 -","1","0.5","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","x-ray","1.54184","CuKα","","0.057","0.0437","","","0.1197","0.1265","","","","","","1.049","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034161","30.3248","0.0007","16.9395","0.0004","16.0657","0.0003","90","","102.218","0.002","90","","8065.8","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H72.5 Br7.33 Cu9.33 N9.5 P6 -","- C58.68 H69.5 Br7.32 Cu9.33 N9.5 P6 -","- C234.72 H278 Br29.28 Cu37.32 N38 P24 -","4","0.5","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","","1.54178","CuKα","","0.0752","0.0623","","","0.1659","0.1752","","","","","","0.968","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034162","14.7655","0.0004","16.7179","0.0005","17.9266","0.0005","90.321","0.002","96.606","0.002","108.593","0.002","4162.1","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H154 Br16 Cu20 N22 P12 -","- C124 H154 Br16 Cu20 N22 P12 -","- C124 H154 Br16 Cu20 N22 P12 -","1","0.5","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","x-ray","1.54178","CuKα","","0.0649","0.0483","","","0.1209","0.1246","","","","","","0.92","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034163","26.6111","0.0004","20.186","0.0002","23.5404","0.0003","90","","102.911","0.002","90","","12325.5","0.3","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C196 H230 Br8 Cu16 N18 P24 -","- C196 H230 Br8 Cu16 N18 P24 -","- C392 H460 Br16 Cu32 N36 P48 -","2","1","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","","1.54178","CuKα","","0.064","0.0589","","","0.1554","0.1584","","","","","","1.021","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034164","13.4384","0.0003","14.3484","0.0002","15.578","0.0004","83.695","0.002","77.946","0.002","80.48","0.002","2888.22","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H54.5 Cu5 I4 N9.5 P3 -","- C42.5 H54.5 Cu5 I4 N9.5 P3 -","- C85 H109 Cu10 I8 N19 P6 -","2","1","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","x-ray","1.54184","CuKα","","0.0289","0.0261","","","0.0678","0.0688","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034165","31.3947","0.0018","12.7194","0.0005","16.5419","0.0008","90","","109.401","0.006","90","","6230.5","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H57 Cu7 I6 N4 P3 -","- C49 H57 Cu7 I6 N4 P3 -","- C196 H228 Cu28 I24 N16 P12 -","4","0.5","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","x-ray","1.54184","CuKα","","0.0573","0.0442","","","0.1103","0.1143","","","","","","1.008","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034166","48.744","0.003","12.3812","0.0005","30.1538","0.0019","90","","117.951","0.009","90","","16075","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58.5 H72 Cl Cu8 I6 N9 P6 -","- C58.5 H72 Cl Cu8 I6 N9 P6 -","- C468 H576 Cl8 Cu64 I48 N72 P48 -","8","1","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","","1.54178","CuKα","","0.1159","0.0672","","","0.1571","0.1714","","","","","","0.79","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034167","12.5667","0.0006","29.4452","0.0014","21.7343","0.0011","90","","90.144","0.005","90","","8042.3","0.7","123.01","0.1","123.01","0.1","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C60.6 H75.2 Cl1.2 Cu7 Fe I6 N5 P6 -","- C60.6 H75.2 Cl1.2 Cu7 Fe I6 N5 P6 -","- C242.4 H300.8 Cl4.8 Cu28 Fe4 I24 N20 P24 -","4","1","","Heindl, Claudia; Kuntz, Andrea; Peresypkina, Eugenia V.; Virovets, Alexander V.; Zabel, Manfred; Lüdeker, David; Brunklaus, Gunther; Scheer, Manfred","Unexpected fragmentations of triphosphaferrocene - formation of supramolecular assemblies containing the (1,2,4-P3C2Mes2)(-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6502","6509","10.1039/c5dt00303b","","x-ray","1.54178","CuKα","","0.0646","0.0468","","","0.1304","0.1633","","","","","","1.048","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034168","9.7243","0.0007","13.7133","0.001","32.524","0.002","90","","90","","90","","4337.1","0.5","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C27 H28 Fe2 S -","- C27 H28 Fe2 S -","- C216 H224 Fe16 S8 -","8","1","","Kowalski, Konrad; Karpowicz, Rafał; Mlostoń, Grzegorz; Miesel, Dominique; Hildebrandt, Alexander; Lang, Heinrich; Czerwieniec, Rafał; Therrien, Bruno","Synthesis and (spectro)electrochemistry of mixed-valent diferrocenyl-dihydrothiopyran derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6268","6276","10.1039/c5dt00246j","","","0.71073","MoKα","","0.0835","0.0288","","","0.0389","0.0431","","","","","","0.599","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034169","12.7358","0.001","14.2608","0.0012","14.4554","0.0011","103.754","0.006","115.357","0.006","92.709","0.006","2271","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Fe2 O2 S -","- C27 H28 Fe2 O2 S -","- C108 H112 Fe8 O8 S4 -","4","2","","Kowalski, Konrad; Karpowicz, Rafał; Mlostoń, Grzegorz; Miesel, Dominique; Hildebrandt, Alexander; Lang, Heinrich; Czerwieniec, Rafał; Therrien, Bruno","Synthesis and (spectro)electrochemistry of mixed-valent diferrocenyl-dihydrothiopyran derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6268","6276","10.1039/c5dt00246j","","","0.71073","MoKα","","0.1122","0.043","","","0.0814","0.0919","","","","","","0.676","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034170","43.396","0.015","8.396","0.003","39.773","0.014","90","","114.146","0.006","90","","13223","8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H35 N6 O14 S4 -","- C53 H37 N6 O14 S4 -","- C424 H296 N48 O112 S32 -","8","1","","Dilworth, Jonathan R.; Pascu, Sofia I.; Waghorn, Philip A.; Vullo, Daniela; Bayly, Simon R.; Christlieb, Martin; Sun, Xin; Supuran, Claudiu T.","Synthesis of sulfonamide conjugates of Cu(ii), Ga(iii), In(iii), Re(v) and Zn(ii) complexes: carbonic anhydrase inhibition studies and cellular imaging investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","4859","4873","10.1039/c4dt03206c","","","0.6944","synchrotron","","0.2103","0.1333","","0.149","0.1244","0.1244","","","","","","1.1404","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034171","15.6938","0.0004","27.3924","0.0008","26.7304","0.0008","90","","93.327","0.001","90","","11471.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117.5 H87 Cl7 Er4 N8 O18 S4 -","- C117.5 H87 Cl7 Er4 N8 O18 S4 -","- C470 H348 Cl28 Er16 N32 O72 S16 -","4","1","","Sukhikh, Taisiya S.; Bashirov, Denis A.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Bogomyakov, Artem S.; Burilov, Vladimir A.; Mustafina, Asia R.; Zibarev, Andrey V.; Konchenko, Sergey N.","New NIR-emissive tetranuclear Er(iii) complexes with 4-hydroxo-2,1,3-benzothiadiazolate and dibenzoylmethanide ligands: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5727","5734","10.1039/c4dt03878a","","","0.71073","MoKα","","0.1566","0.0705","","","0.168","0.1949","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034172","14.1646","0.0004","15.2641","0.0004","16.4794","0.0005","87.779","0.001","89.776","0.001","82.376","0.001","3528.86","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C163 H136 Er4 N8 O18 S4 -","- C149 H120 Er4 N8 O18 S4 -","- C149 H120 Er4 N8 O18 S4 -","1","0.5","","Sukhikh, Taisiya S.; Bashirov, Denis A.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Bogomyakov, Artem S.; Burilov, Vladimir A.; Mustafina, Asia R.; Zibarev, Andrey V.; Konchenko, Sergey N.","New NIR-emissive tetranuclear Er(iii) complexes with 4-hydroxo-2,1,3-benzothiadiazolate and dibenzoylmethanide ligands: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5727","5734","10.1039/c4dt03878a","","","0.71073","MoKα","","0.0377","0.0274","","","0.0657","0.0693","","","","","","1.053","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034173","14.8263","0.0012","14.8685","0.0012","16.6589","0.0014","65.675","0.002","68.993","0.002","64.225","0.002","2940.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H112 Er4 N12 O22 S6 -","- C120 H112 Er4 N12 O22 S6 -","- C120 H112 Er4 N12 O22 S6 -","1","0.5","","Sukhikh, Taisiya S.; Bashirov, Denis A.; Kuratieva, Natalia V.; Smolentsev, Anton I.; Bogomyakov, Artem S.; Burilov, Vladimir A.; Mustafina, Asia R.; Zibarev, Andrey V.; Konchenko, Sergey N.","New NIR-emissive tetranuclear Er(iii) complexes with 4-hydroxo-2,1,3-benzothiadiazolate and dibenzoylmethanide ligands: synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5727","5734","10.1039/c4dt03878a","","","0.71073","MoKα","","0.0809","0.0425","","","0.0906","0.1","","","","","","0.935","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034174","8.7086","0.0005","37.248","0.002","22.1051","0.0014","90","","90.193","0.003","90","","7170.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 Fe Li O13 S32 -","- C46 H34 Fe Li O13 S32 -","- C184 H136 Fe4 Li4 O52 S128 -","4","1","","Martin, Lee; Engelkamp, Hendrik; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Horton, Peter; Hursthouse, Michael B.","Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6219","6223","10.1039/c5dt00183h","","","0.71073","MoKα","","0.1416","0.1031","","","0.182","0.2011","","","","","","1.092","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034175","18.1981","","14.951","","10.1086","","90","","93.127","","90","","2746.25","","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cr Li O13 S24 -","- C38 H30 Cr Li O13 S24 -","- C76 H60 Cr2 Li2 O26 S48 -","2","0.5","","Martin, Lee; Engelkamp, Hendrik; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Horton, Peter; Hursthouse, Michael B.","Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6219","6223","10.1039/c5dt00183h","","","0.71075","MoKα","","","0.0973","","","","0.2029","","","","","","1.068","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034176","18.491","0.011","15.146","0.009","10.292","0.006","90","","93.363","0.016","90","","2877","3","302","","302","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Fe Li O13 S24 -","- C38 H30 Fe Li O13 S24 -","- C76 H60 Fe2 Li2 O26 S48 -","2","0.5","","Martin, Lee; Engelkamp, Hendrik; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Horton, Peter; Hursthouse, Michael B.","Radical-cation salts of BEDT-TTF with lithium tris(oxalato)metallate(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6219","6223","10.1039/c5dt00183h","","","0.71075","MoKα","","0.1887","0.1197","","","0.269","0.3082","","","","","","1.066","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034177","13.3516","0.0009","32.355","0.002","19.0312","0.0013","90","","94.1","0.001","90","","8200.3","0.9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H128 Mn2 N36 O138 P4 Sn2 W30 -","- C18 H80 Mn2 N36 O129 P4 Sn2 W30 -","- C36 H160 Mn4 N72 O258 P8 Sn4 W60 -","2","0.5","","Bai, Jian-Ping; Su, Fang; Zhu, Hao-Tian; Sun, Hang; Zhang, Lan-Cui; Liu, Mei-Ying; You, Wan-Sheng; Zhu, Zai-Ming","An open chain carboxyethyltin functionalized sandwich-type tungstophosphate based on a trivacant Dawson subunit: synthesis, characterization and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6423","6430","10.1039/c5dt00361j","","","0.71073","MoKα","","0.0657","0.0455","","","0.1115","0.1188","","","","","","1.051","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034178","5.6189","0.001","10.2238","0.0017","10.235","0.0016","84.128","0.004","77.868","0.004","86.846","0.005","571.48","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C24 H32 N4 O2 -","2","1","","Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín","Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6516","6525","10.1039/c5dt00358j","","","0.71073","MoKα","","0.0506","0.037","","","0.0965","0.1027","","","","","","1.039","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034179","9.1428","0.0004","9.2155","0.0004","9.7631","0.0004","75.888","0.001","64.827","0.001","74.577","0.001","709.56","0.05","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","","Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín","Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6516","6525","10.1039/c5dt00358j","","","0.71073","MoKα","","0.0413","0.0377","","","0.1081","0.1114","","","","","","1.056","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034180","8.0551","0.0013","10.772","0.002","14.825","0.002","69.265","0.003","84.322","0.004","78.302","0.004","1177.5","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cu N4 O2 -","- C24 H30 Cu N4 O2 -","- C48 H60 Cu2 N8 O4 -","2","1","","Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín","Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6516","6525","10.1039/c5dt00358j","","","0.71073","MoKα","","0.0922","0.0653","","","0.1342","0.2106","","","","","","1.098","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034181","6.1698","0.0004","9.4346","0.0005","10.2894","0.0005","81.887","0.002","77.659","0.002","81.547","0.002","575","0.06","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 Ni O2 -","- C24 H30 N4 Ni O2 -","- C24 H30 N4 Ni O2 -","1","0.5","","Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín","Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6516","6525","10.1039/c5dt00358j","","","0.71073","MoKα","","0.0388","0.0346","","","0.1044","0.1077","","","","","","1.087","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034182","10.312","0.0002","10.312","0.0002","4.1586","0.0001","90","","90","","90","","442.214","0.016","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Ge3 In0.25 Ni Yb1.75 -","- Ge3 In0.25 Ni Yb1.75 -","- Ge12 In Ni4 Yb7 -","4","0.5","","Subbarao, Udumula; Jana, Rajkumar; Chondroudi, Maria; Balasubramanian, Mahalingam; Kanatzidis, Mercouri G.; Peter, Sebastian C.","Yb7Ni4InGe12: a quaternary compound having mixed valent Yb atoms grown from indium flux.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5797","5804","10.1039/c4dt03783a","","","0.71073","MoKα","","0.0429","0.0418","","","0.1088","0.1127","","","","","","1.167","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034183","18.0741","0.0004","16.5018","0.0004","15.329","0.0003","90","","114.591","0.001","90","","4157.28","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H38 Cl2 N4 O4 Pd2 -","- C47 H38 Cl2 N4 O4 Pd2 -","- C188 H152 Cl8 N16 O16 Pd8 -","4","0.5","","Mamidala, Ramesh; Mukundam, Vanga; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan","Synthesis of a cyclometalated 1,3,5-triphenylpyrazole palladium dimer and its activity towards cross coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5805","5809","10.1039/c4dt03908d","","","0.71073","MoKα","","0.0428","0.0307","","","0.0788","0.091","","","","","","1.109","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034184","10.338","0.002","10.828","0.002","32.153","0.006","90","","96.32","0.03","90","","3577.3","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Br2 F2 N2 Ni -","- C41 H32 Br2 F2 N2 Ni -","- C164 H128 Br8 F8 N8 Ni4 -","4","1","","Du, Shizhen; Xing, Qifeng; Flisak, Zygmunt; Yue, Erlin; Sun, Yang; Sun, Wen-Hua","Ethylene polymerization by the thermally unique 1-[2-(bis(4-fluoro phenyl)methyl)-4,6-dimethylphenylimino]-2-aryliminoacenaphthylnickel precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12282","12291","10.1039/c5dt00052a","","","0.71073","MoKα","","","0.0893","","","0.2192","0.2315","","","","","","1.108","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034185","19.295","0.004","11.616","0.002","35.044","0.007","90","","96.03","0.03","90","","7811","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Br2 F2 N2 Ni -","- C42 H34 Br2 F2 N2 Ni -","- C336 H272 Br16 F16 N16 Ni8 -","8","2","","Du, Shizhen; Xing, Qifeng; Flisak, Zygmunt; Yue, Erlin; Sun, Yang; Sun, Wen-Hua","Ethylene polymerization by the thermally unique 1-[2-(bis(4-fluoro phenyl)methyl)-4,6-dimethylphenylimino]-2-aryliminoacenaphthylnickel precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12282","12291","10.1039/c5dt00052a","","","0.71073","MoKα","","","0.0827","","","0.2077","0.2346","","","","","","1.061","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7034186","10.1831","0.0004","20.6299","0.0009","19.8046","0.0009","90","","91.373","0.001","90","","4159.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Cl N4 Rh -","- C45 H63 Cl N4 Rh -","- C180 H252 Cl4 N16 Rh4 -","4","1","","Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.","Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5777","5789","10.1039/c5dt00182j","","","0.71073","MoKα","","0.0527","0.0353","","","0.0796","0.0875","","","","","","1.018","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034187","11.6031","0.0008","12.7696","0.0009","17.4596","0.0012","79.885","0.0008","78.2321","0.0008","80.9152","0.0008","2473.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H65 Cl N3 P Rh -","- C59 H65 Cl N3 P Rh -","- C118 H130 Cl2 N6 P2 Rh2 -","2","1","","Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.","Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5777","5789","10.1039/c5dt00182j","","","0.71073","MoKα","","0.0405","0.0345","","","0.0774","0.0806","","","","","","1.076","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034188","17.4494","0.001","17.19","0.001","10.1596","0.0006","90","","90","","90","","3047.4","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H41 Cl N3 O2 Rh -","- C32 H41 Cl N3 O2 Rh -","- C128 H164 Cl4 N12 O8 Rh4 -","4","0.5","","Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.","Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5777","5789","10.1039/c5dt00182j","","","0.71073","MoKα","","0.0781","0.0348","","","0.0715","0.0861","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034189","10.1915","0.0009","12.3169","0.001","18.8266","0.0016","76.311","0.001","82.845","0.001","66.715","0.001","2107.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H58 Cl N4 O2 Rh -","- C44 H54 Cl N4 O2 Rh -","- C88 H108 Cl2 N8 O4 Rh2 -","2","1","","Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.","Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5777","5789","10.1039/c5dt00182j","","","0.71073","MoKα","","0.0398","0.0331","","","0.0807","0.0831","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034190","14.6163","0.0003","23.1639","0.0004","15.7113","0.0004","90","","108.061","0.003","90","","5057.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Cd2.5 N2 O13 -","- C42 H26 Cd2.5 N2 O13 -","- C168 H104 Cd10 N8 O52 -","4","1","","Venkateswarulu, M.; Pramanik, Avijit; Koner, Rik Rani","Novel metal-organic framework with tunable fluorescence property: supramolecular signaling platform for polynitrophenolics.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6348","6352","10.1039/c5dt00489f","","","0.71073","MoKα","","0.0574","0.0457","","","0.1358","0.1418","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034191","9.86749","0.00018","15.8674","0.0003","18.6581","0.0004","68.043","0.002","77.0428","0.0017","73.5767","0.0017","2575.72","0.1","105","1","105","1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H72 N4 O P4 -","- C53 H72 N4 O P4 -","- C106 H144 N8 O2 P8 -","2","1","","Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg","A stable phosphanyl phosphaketene and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6431","6438","10.1039/c4dt04012k","","","0.71073","MoKα","","0.0559","0.0482","","","0.1228","0.1274","","","","","","1.08","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034192","9.5186","0.0012","12.9781","0.0015","21.293","0.003","90","","95.781","0.004","90","","2617","0.6","100","2","100.4","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O P2 -","- C27 H36 N2 O P2 -","- C108 H144 N8 O4 P8 -","4","1","","Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg","A stable phosphanyl phosphaketene and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6431","6438","10.1039/c4dt04012k","","","0.71073","MoKα","","0.0476","0.0375","","","0.0924","0.0989","","","","","","1.039","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034193","10.0689","0.0011","11.5642","0.0012","14.5238","0.0016","84.273","0.003","72.479","0.003","76.618","0.003","1568.1","0.3","100","","100.8","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H46 N2 O P2 -","- C33 H46 N2 O P2 -","- C66 H92 N4 O2 P4 -","2","1","","Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg","A stable phosphanyl phosphaketene and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6431","6438","10.1039/c4dt04012k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0958","0.0985","","","","","","1.022","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034194","11.3904","0.0005","20.3999","0.0009","13.5469","0.0006","90","","93.823","0.003","90","","3140.8","0.2","101","2","100.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 N2 O P2 -","- C33 H46 N2 O P2 -","- C132 H184 N8 O4 P8 -","4","1","","Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg","A stable phosphanyl phosphaketene and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6431","6438","10.1039/c4dt04012k","","","1.54178","CuKα","","0.1","0.0774","","","0.1799","0.1971","","","","","","1.07","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034195","17.7901","0.0014","18.7231","0.0016","19.1169","0.0016","73.099","0.003","63.618","0.003","71.027","0.003","5313.5","0.8","100","","100.7","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H65 N3 O P2 -","- C63 H65 N3 O P2 -","- C252 H260 N12 O4 P8 -","4","2","","Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg","A stable phosphanyl phosphaketene and its reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6431","6438","10.1039/c4dt04012k","","","0.71073","MoKα","","0.085","0.064","","","0.168","0.1827","","","","","","1.034","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034196","13.9033","0.0003","18.5803","0.0003","21.1933","0.0004","94.839","0.001","96.918","0.001","105.839","0.001","5189.06","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Cd8S(SPh)14(DMF)3 cluster","","- C93 H91 Cd8 N3 O3 S15 -","- C93 H91 Cd8 N3 O3 S15 -","- C186 H182 Cd16 N6 O6 S30 -","2","1","","Xu, Chao; Hedin, Niklas; Shi, Hua-Tian; Xin, ZhiFeng; Zhang, Qian-Feng","Stepwise assembly of a semiconducting coordination polymer [Cd8S(SPh)14(DMF)(bpy)]n and its photodegradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6400","6405","10.1039/c4dt03687e","","","0.71073","MoKα","","0.0651","0.0399","","","0.0947","0.1071","","","","","","1.032","","","","has coordinates,has disorder","180047","2020-10-21","18:00:00",""
"7034197","13.5519","0.0014","26.283","0.003","32.05","0.004","90","","98.004","0.007","90","","11305","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd8S(SPh)14(DMF)(bpy) coordination polymer","","- C100 H90 Cd8 N4 O2 S15 -","- C100 H90 Cd8 N4 O2 S15 -","- C400 H360 Cd32 N16 O8 S60 -","4","1","","Xu, Chao; Hedin, Niklas; Shi, Hua-Tian; Xin, ZhiFeng; Zhang, Qian-Feng","Stepwise assembly of a semiconducting coordination polymer [Cd8S(SPh)14(DMF)(bpy)]n and its photodegradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6400","6405","10.1039/c4dt03687e","","","0.71073","MoKα","","0.1694","0.0706","","","0.1654","0.2138","","","","","","1.026","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034198","15.1307","0.0006","15.1307","0.0006","19.1938","0.0015","90","","90","","90","","4394.2","0.4","200","2","200","2","","","","","","","","7","I -4","I -4","82","","","","- C78 H96 Cl4 N8 O8 P4 Pd4 -","- C78 H96 Cl4 N8 O8 P4 Pd4 -","- C156 H192 Cl8 N16 O16 P8 Pd8 -","2","0.25","","Lee, Seon Gye; Choi, Keun-Young; Kim, Yong-Joo; Park, SuJin; Lee, Soon W.","Cyclic tetramers of a five-membered palladacycle based on a head-to-tail-linked isocyanate dimer and their reactivity in cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6537","6545","10.1039/c5dt00534e","","","0.71073","MoKα","","0.05","0.0213","","","0.0472","0.0561","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034199","19.3654","0.0008","14.0152","0.0006","21.2584","0.0009","90","","110.422","0.001","90","","5407.1","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 N2 O2 P2 Pd -","- C26 H38 N2 O2 P2 Pd -","- C208 H304 N16 O16 P16 Pd8 -","8","2","","Lee, Seon Gye; Choi, Keun-Young; Kim, Yong-Joo; Park, SuJin; Lee, Soon W.","Cyclic tetramers of a five-membered palladacycle based on a head-to-tail-linked isocyanate dimer and their reactivity in cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6537","6545","10.1039/c5dt00534e","","","0.71073","MoKα","","0.0855","0.0483","","","0.1272","0.1621","","","","","","1.078","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034200","13.1299","0.0009","11.2538","0.0008","20.6433","0.0014","90","","99.048","0.002","90","","3012.3","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl4 N2 O2 P2 Pd -","- C25 H34 Cl4 N2 O2 P2 Pd -","- C100 H136 Cl16 N8 O8 P8 Pd4 -","4","1","","Lee, Seon Gye; Choi, Keun-Young; Kim, Yong-Joo; Park, SuJin; Lee, Soon W.","Cyclic tetramers of a five-membered palladacycle based on a head-to-tail-linked isocyanate dimer and their reactivity in cyclotrimerization of isocyanates.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6537","6545","10.1039/c5dt00534e","","","0.71073","MoKα","","0.0684","0.0314","","","0.0647","0.0807","","","","","","1.002","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034201","24.3922","0.0006","14.7256","0.0003","25.7278","0.0007","90","","110.132","0.001","90","","8676.5","0.4","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H40 Cl Cu3 O28 P2 Ru10 Te2 -","- C76 H40 Cl Cu3 O28 P2 Ru10 Te2 -","- C304 H160 Cl4 Cu12 O112 P8 Ru40 Te8 -","4","1","","Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan","Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6526","6536","10.1039/c5dt00546a","","","0.71073","MoKα","","0.1809","0.0913","","","0.1901","0.2313","","","","","","1.112","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034202","14.1879","0.0018","14.2101","0.0018","22.732","0.003","76.598","0.009","75.207","0.009","60.659","0.008","3831.6","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H110 Cu2 O41 P4 Ru14 Te4 -","- C146 H100 Cu2 O41 P4 Ru14 Te4 -","- C146 H100 Cu2 O41 P4 Ru14 Te4 -","1","0.5","","Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan","Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6526","6536","10.1039/c5dt00546a","","","0.71073","MoKα","","0.1851","0.0805","","","0.1636","0.2098","","","","","","0.966","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034203","15.2231","0.0003","10.4337","0.0002","19.5749","0.0005","90","","107.974","0.001","90","","2957.41","0.11","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cu2 N2 O14 Ru5 Te -","- C18 H6 Cu2 N2 O14 Ru5 Te -","- C72 H24 Cu8 N8 O56 Ru20 Te4 -","4","1","","Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan","Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6526","6536","10.1039/c5dt00546a","","","0.71073","MoKα","","0.0211","0.0175","","","0.0373","0.0389","","","","","","1.068","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034204","14.3956","0.0012","11.7755","0.001","19.1746","0.0017","90","","105.493","0.001","90","","3132.3","0.5","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H7 Cl Cu2 N2 O14 Ru5 Te -","- C18.5 H7 Cl Cu2 N2 O14 Ru5 Te -","- C74 H28 Cl4 Cu8 N8 O56 Ru20 Te4 -","4","1","","Shieh, Minghuey; Miu, Chia-Yeh; Hsing, Kai-Jieah; Jang, Li-Fing; Lin, Chien-Nan","Copper-incorporated mono- and di-TeRu5 metal carbonyl complexes: syntheses, structures, and an unusual skeletal arrangement.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6526","6536","10.1039/c5dt00546a","","","0.71073","MoKα","","0.0427","0.0284","","","0.0717","0.1011","","","","","","1.127","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034205","17.497","0.004","10.171","0.002","23.344","0.005","90","","90.54","0.03","90","","4154.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Co2 N10 O10 -","- C41 H32 Co2 N10 O10 -","- C164 H128 Co8 N40 O40 -","4","1","","Huang, Fu-Ping; Yang, Cheng; Li, Hai-Ye; Yao, Peng-Fei; Qin, Xiao-Huan; Yan, Shi-Ping; Kurmoo, Mohamedally","Solvent effects on the structures and magnetic properties of two doubly interpenetrated metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6593","6599","10.1039/c4dt04006f","","","0.71073","MoKα","","0.0868","0.0587","","","0.1097","0.1199","","","","","","0.99","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034206","29.144","0.006","10.411","0.002","14.792","0.003","90","","90","","90","","4488.2","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H28 Co2 N10 O10 -","- C40 H28 Co2 N10 O10 -","- C160 H112 Co8 N40 O40 -","4","1","","Huang, Fu-Ping; Yang, Cheng; Li, Hai-Ye; Yao, Peng-Fei; Qin, Xiao-Huan; Yan, Shi-Ping; Kurmoo, Mohamedally","Solvent effects on the structures and magnetic properties of two doubly interpenetrated metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6593","6599","10.1039/c4dt04006f","","","0.71073","MoKα","","0.1679","0.1057","","","0.1932","0.223","","","","","","1.015","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034207","19.409","0.01","8.198","0.004","12.59","0.007","90","","125.942","0.007","90","","1621.9","1.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Pd S2 -","- C14 H14 Cl2 Pd S2 -","- C56 H56 Cl8 Pd4 S8 -","4","0.5","","Kumar Rao, Gyandshwar; Kumar, Arun; Saleem, Fariha; Singh, Mahabir P.; Kumar, Satyendra; Kumar, Bharat; Mukherjee, Goutam; Singh, Ajai K.","Palladium(ii)-1-phenylthio-2-arylchalcogenoethane complexes: palladium phosphide nano-peanut and ribbon formation controlled by chalcogen and Suzuki coupling activation.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6600","6612","10.1039/c4dt03471f","","","0.71073","MoKα","","0.0386","0.0354","","","0.0817","0.0831","","","","","","1.264","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034208","8.3567","0.0016","14.188","0.003","14.676","0.003","90","","90","","90","","1740.1","0.6","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl2 O Pd S Te -","- C15 H16 Cl2 O Pd S Te -","- C60 H64 Cl8 O4 Pd4 S4 Te4 -","4","1","","Kumar Rao, Gyandshwar; Kumar, Arun; Saleem, Fariha; Singh, Mahabir P.; Kumar, Satyendra; Kumar, Bharat; Mukherjee, Goutam; Singh, Ajai K.","Palladium(ii)-1-phenylthio-2-arylchalcogenoethane complexes: palladium phosphide nano-peanut and ribbon formation controlled by chalcogen and Suzuki coupling activation.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6600","6612","10.1039/c4dt03471f","","","0.71073","MoKα","","0.0419","0.0398","","","0.0745","0.0754","","","","","","1.164","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034209","10.429","0.004","13.208","0.005","14.228","0.005","71.233","0.011","84.201","0.011","76.698","0.011","1805.1","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 N5 O -","- C37 H51 N5 O -","- C74 H102 N10 O2 -","2","1","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.1863","0.0724","","","0.161","0.2117","","","","","","1.004","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034210","9.0287","0.0016","9.7736","0.0018","14.728","0.003","95.194","0.006","91.309","0.006","113.379","0.005","1185.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N4 O -","- C25 H32 N4 O -","- C50 H64 N8 O2 -","2","1","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.1195","0.0606","","","0.1568","0.1938","","","","","","1.002","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034211","10.0134","0.001","18.34","0.0019","36.98","0.004","90","","94.521","0.003","90","","6770.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H96 Li2 N10 -","- C74 H96 Li2 N10 -","- C296 H384 Li8 N40 -","4","1","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.1417","0.0708","","","0.1679","0.2096","","","","","","1.038","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034212","9.898","0.006","10.527","0.007","20.359","0.012","82.68","0.02","87.07","0.02","72.53","0.02","2007","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H50 Cl2 N5 O0.5 Pd -","- C37 H49 Cl2 N5 O0.5 Pd -","- C74 H98 Cl4 N10 O Pd2 -","2","1","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.122","0.0683","","","0.1604","0.189","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034213","10.34","0.005","15.075","0.008","22.169","0.011","88.651","0.016","82.564","0.017","86.454","0.016","3420","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N5 Pd -","- C37 H47 N5 Pd -","- C148 H188 N20 Pd4 -","4","2","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.1091","0.0495","","","0.0954","0.117","","","","","","1.012","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034214","9.7397","0.001","10.5677","0.001","17.2217","0.0017","77.782","0.003","78.771","0.003","84.951","0.003","1697.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Cl2 N5 O Pd -","- C32 H37 Cl2 N5 O Pd -","- C64 H74 Cl4 N10 O2 Pd2 -","2","1","","Kumar, Rajnish; Mani, Ganesan","Exhibition of the Brønsted acid-base character of a Schiff base in palladium(ii) complex formation: lithium complexation, fluxional properties and catalysis of Suzuki reactions in water.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6896","6908","10.1039/c5dt00438a","","","0.71073","MoKα","","0.116","0.0534","","","0.1084","0.1405","","","","","","0.998","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034215","15.8041","0.0003","16.2451","0.0003","11.5352","0.0002","90","","93.837","0.002","90","","2954.9","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Mn2 N2 O12 P -","- C7 H13 Mn2 N2 O12 P -","- C56 H104 Mn16 N16 O96 P8 -","8","2","","Luan, Lindong; Li, Jing; Yin, Changzhen; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new inorganic-organic hybrid solids with finely tuned manganese oxalate structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5974","5977","10.1039/c5dt00431d","","","1.54184","CuKα","","0.0493","0.0437","","","0.1157","0.1202","","","","","","1.065","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034216","11.6599","0.0003","10.9336","0.0003","11.7669","0.0003","90","","90","","90","","1500.1","0.07","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H12 Mn2 N O12 P -","- C7 H7 Mn2 N O12 P -","- C28 H28 Mn8 N4 O48 P4 -","4","1","","Luan, Lindong; Li, Jing; Yin, Changzhen; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new inorganic-organic hybrid solids with finely tuned manganese oxalate structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5974","5977","10.1039/c5dt00431d","","","1.54184","CuKα","","0.0587","0.0572","","","0.1414","0.1438","","","","","","1.066","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034217","8.0352","0.0002","10.1895","0.0002","16.0266","0.0005","93.349","0.002","94.504","0.003","92.452","0.002","1304.41","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13.5 H24 Mn3 N3 O20 P2 -","- C13.5 H23.5 Mn3 N3 O20 P2 -","- C27 H47 Mn6 N6 O40 P4 -","2","1","","Luan, Lindong; Li, Jing; Yin, Changzhen; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new inorganic-organic hybrid solids with finely tuned manganese oxalate structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5974","5977","10.1039/c5dt00431d","","","1.54184","CuKα","","0.0483","0.0442","","","0.1225","0.1262","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034218","16.37","0.0004","20.6235","0.0005","14.2795","0.0002","90","","105.466","0.0012","90","","4646.29","0.17","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N2 O4 Sn2 -","- C48 H58 N2 O4 Sn2 -","- C192 H232 N8 O16 Sn8 -","4","1","","Wongmahasirikun, Phonpimon; Prom-On, Paweenuch; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Phomphrai, Khamphee","Synthesis of cyclic polyesters: effects of alkoxy side chains in salicylaldiminato tin(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12357","12364","10.1039/c5dt00139k","","","0.71073","MoKα","","0.0566","0.039","","","0.0977","0.105","","","","","","1.047","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034219","17.2379","0.0005","10.4636","0.0002","10.0156","0.0002","90","","93.8814","0.0008","90","","1802.38","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 Sn -","- C18 H27 N O2 Sn -","- C72 H108 N4 O8 Sn4 -","4","1","","Wongmahasirikun, Phonpimon; Prom-On, Paweenuch; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Phomphrai, Khamphee","Synthesis of cyclic polyesters: effects of alkoxy side chains in salicylaldiminato tin(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12357","12364","10.1039/c5dt00139k","","","0.71073","MoKα","","0.0547","0.0499","","","0.1446","0.1477","","","","","","1.121","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034220","9.2771","0.0004","15.6784","0.0005","12.5521","0.0005","90","","100.016","0.002","90","","1797.88","0.12","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H30 Cl3 Cu N -","- C13 H30 Cl3 Cu N -","- C52 H120 Cl12 Cu4 N4 -","4","1","","Abai, Mahpuzah; Atkins, Martin P.; Hassan, Amiruddin; Holbrey, John D.; Kuah, Yongcheun; Nockemann, Peter; Oliferenko, Alexander A.; Plechkova, Natalia V.; Rafeen, Syamzari; Rahman, Adam A.; Ramli, Rafin; Shariff, Shahidah M.; Seddon, Kenneth R.; Srinivasan, Geetha; Zou, Yiran","An ionic liquid process for mercury removal from natural gas.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8617","8624","10.1039/c4dt03273j","","","0.71073","MoKα","","0.0481","0.0377","","","0.0898","0.0951","","","","","","1.097","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034221","7.2752","0.0003","11.5518","0.0004","12.3958","0.0005","97.923","0.003","100.939","0.003","103.876","0.003","974.44","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H58 B20 Li2 N4 O8 -","- C18 H58 B20 Li2 N4 O8 -","- C18 H58 B20 Li2 N4 O8 -","1","0.5","","Neumann, W.; Hiller, M.; Sárosi, M B; Lönnecke, P; Hey-Hawkins, E","Reduction of hydroxy-functionalised carbaboranyl carboxylic acids and ketones by organolithium reagents.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6638","6644","10.1039/c5dt00761e","","","0.71073","MoKα","","0.0452","0.0355","","","0.087","0.0922","","","","","","1.033","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034222","9.2836","0.0006","10.752","0.0007","20.6254","0.001","83.935","0.005","79.557","0.006","68.034","0.006","1876.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H50 Cl7 Nb O7 Sn2 -","- C21 H50 Cl7 Nb O7 Sn2 -","- C42 H100 Cl14 Nb2 O14 Sn4 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0513","0.0395","","0.1109","0.1053","0.1109","","","","","","0.9527","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034223","17.503","0.001","11.651","0.001","19.801","0.002","90","","92.935","0.007","90","","4032.7","0.6","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H52 Cl6 Nb2 O12 Sn2 -","- C20 H52 Cl6 Nb2 O12 Sn2 -","- C80 H208 Cl24 Nb8 O48 Sn8 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0564","0.0439","","0.1107","0.1042","0.1107","","","","","","0.962","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034224","10.505","0.001","14.763","0.001","17.79","0.002","90","","99.443","0.009","90","","2721.6","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Cl3 O6 Sn Ta -","- C16 H38 Cl3 O6 Sn Ta -","- C64 H152 Cl12 O24 Sn4 Ta4 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0931","0.0631","","0.1844","0.1394","0.1844","","","","","","0.9571","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034225","9.85","0.001","14.698","0.002","16.507","0.002","90.914","0.009","91.216","0.009","96.418","0.009","2373.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Cl4 O6 Sn Ti -","- C12 H32 Cl4 O6 Sn Ti -","- C48 H128 Cl16 O24 Sn4 Ti4 -","4","2","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.123","0.084","","0.1899","0.1685","0.1899","","","","","","0.9789","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034226","11.5427","0.0009","19.876","0.002","18.166","0.001","90","","101.309","0.008","90","","4086.8","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H65 Cl3 O10 Sn Ti2 -","- C27 H65 Cl3 O10 Sn Ti2 -","- C108 H260 Cl12 O40 Sn4 Ti8 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0888","0.0642","","0.1729","0.1284","0.1729","","","","","","0.9784","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034227","19.382","0.002","14.234","0.002","9.515","0.001","90","","90","","90","","2625","0.5","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H35 Cl4 Nb O5 Sn -","- C15 H35 Cl4 Nb O5 Sn -","- C60 H140 Cl16 Nb4 O20 Sn4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0793","0.0349","","0.1069","0.0623","0.1069","","","","","","1.0476","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034228","9.9442","0.0007","14.616","0.001","18.675","0.002","90","","99.107","0.008","90","","2680.1","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 Cl4 Nb O6 Sn -","- C16 H39 Cl4 Nb O6 Sn -","- C64 H156 Cl16 Nb4 O24 Sn4 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.71069","MoKα","","0.0836","0.0562","","0.1838","0.1669","0.1838","","","","","","1.0282","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034229","10.3378","0.0008","11.3589","0.0008","19.978","0.001","88.599","0.006","75.838","0.006","66.319","0.007","2075.9","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H65 Cl3 O10 Sn Ti2 -","- C27 H65 Cl3 O10 Sn Ti2 -","- C54 H130 Cl6 O20 Sn2 Ti4 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.7107","MoKα","","0.0657","0.0528","","0.1195","0.1001","0.1195","","","","","","1.0041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034230","9.32","0.001","19.198","0.002","14.026","0.002","90","","105.88","0.01","90","","2413.8","0.5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 Cl4 Nb O6 Sn -","- C12 H31 Cl4 Nb O6 Sn -","- C48 H124 Cl16 Nb4 O24 Sn4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Mangematin, Stéphane; Chermette, Henry; Poor Kalhor, Mahboubeh; Bonnefont, Guillaume; Fantozzi, Gilbert; Le Floch, Sylvie; Pailhes, Stéphane; Daniele, Stéphane","A convenient and quantitative route to Sn(iv)-M [M = Ti(iv), Nb(v), Ta(v)] heterobimetallic precursors for dense mixed-metal oxide ceramics.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6848","6862","10.1039/c5dt00339c","","","0.7107","MoKα","","0.0978","0.0746","","0.1759","0.1444","0.1759","","","","","","0.9174","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7034231","9.4897","0.001","12.2095","0.0012","15.9328","0.0016","105.831","0.002","91.856","0.002","111.387","0.002","1635.7","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H39 Cl2 In N2 O Si -","- C34 H39 Cl2 In N2 O Si -","- C68 H78 Cl4 In2 N4 O2 Si2 -","2","1","","Osten, K. M.; Aluthge, D. C.; Mehrkhodavandi, P.","The effect of steric changes on the isoselectivity of dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6126","6139","10.1039/c5dt00222b","","","0.71073","MoKα","","0.0292","0.0228","","","0.0537","0.0572","","","","","","1.066","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034232","10.0632","0.0012","14.7651","0.0017","15.5923","0.0019","89.62","0.003","73.121","0.003","73.901","0.003","2123.1","0.4","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C23.25 H32.5 Cl In0.5 N O0.5 -","- C23.25 H32.5 Cl In0.5 N O0.5 -","- C93 H130 Cl4 In2 N4 O2 -","4","2","","Osten, K. M.; Aluthge, D. C.; Mehrkhodavandi, P.","The effect of steric changes on the isoselectivity of dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6126","6139","10.1039/c5dt00222b","","","0.71073","MoKα","","0.0381","0.0282","","","0.0486","0.0505","","","","","","0.926","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034233","12.8751","0.001","15.9412","0.0012","16.5097","0.0012","64.991","0.002","87.64","0.002","87.658","0.002","3067.2","0.4","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H96.5 Cl3 In2 N4.5 O3 -","- C61 H96.5 Cl3 In2 N4.5 O3 -","- C122 H193 Cl6 In4 N9 O6 -","2","1","","Osten, K. M.; Aluthge, D. C.; Mehrkhodavandi, P.","The effect of steric changes on the isoselectivity of dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6126","6139","10.1039/c5dt00222b","","","0.71073","MoKα","","0.0417","0.0294","","","0.0719","0.0766","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034234","18.854","0.005","11.886","0.004","32.91","0.01","90","","100.603","0.007","90","","7249","4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H103 Cl3 In2 N4 O3 -","- C78.5 H103 Cl3 In2 N4 O3 -","- C314 H412 Cl12 In8 N16 O12 -","4","1","","Osten, K. M.; Aluthge, D. C.; Mehrkhodavandi, P.","The effect of steric changes on the isoselectivity of dinuclear indium catalysts for lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6126","6139","10.1039/c5dt00222b","","","0.71073","MoKα","","0.0554","0.0353","","","0.0679","0.075","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034235","17.5124","0.0014","17.5124","0.0014","24.2551","0.0019","90","","90","","120","","6442.1","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H108 Dy6 N18 O36 -","- C54 H108 Dy6 N18 O36 -","- C162 H324 Dy18 N54 O108 -","3","0.166667","","Baniodeh, Amer; Magnani, Nicola; Bräse, Stefan; Anson, Christopher E.; Powell, Annie K.","Ligand field variations: tuning the toroidal moment of Dy6 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6343","6347","10.1039/c5dt00237k","","","0.71073","MoKα","","0.0186","0.0182","","","0.0449","0.0451","","","","","","1.164","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034236","15.778","0.001","15.778","0.001","26.4045","0.0019","90","","90","","120","","5692.6","0.7","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H112 Dy6 N18 O32 -","- C42 H96 Dy6 N18 O30 -","- C126 H288 Dy18 N54 O90 -","3","0.166667","","Baniodeh, Amer; Magnani, Nicola; Bräse, Stefan; Anson, Christopher E.; Powell, Annie K.","Ligand field variations: tuning the toroidal moment of Dy6 rings.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6343","6347","10.1039/c5dt00237k","","","0.71073","MoKα","","0.0303","0.0238","","","0.0557","0.0576","","","","","","1.011","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034237","17.1572","0.0002","13.65435","0.00014","7.88214","0.00007","90","","90","","90","","1846.55","0.03","298","","298","","","","","","","","","6","P n m n","-P 2n 2n","58","","","","- C32 H44 B2 N12 Ni2 O4 -","- C32 H44 B2 N12 Ni2 O4 -","- C64 H88 B4 N24 Ni4 O8 -","2","0.25","","López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván","Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6839","6847","10.1039/c5dt00181a","powder diffraction","","0.82449","synchrotron","","","","","","","","","4.8263","2.5898","","","","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034238","17.24479","0.00018","13.66574","0.00012","7.88513","0.00006","90","","90","","90","","1858.23","0.03","298","","298","","","","","","","","","6","P n m n","-P 2n 2n","58","","","","- C32 H45 B2 N13 Ni2 O3 -","- C32 H45 B2 N13 Ni2 O3 -","- C64 H90 B4 N26 Ni4 O6 -","2","0.25","","López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván","Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6839","6847","10.1039/c5dt00181a","powder diffraction","","0.82449","synchrotron","","","","","","","","","4.2707","1.7757","","","","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034239","17.3543","0.0002","13.69393","0.00014","7.89244","0.00008","90","","90","","90","","1875.63","0.03","298","","298","","","","","","","","","6","P n m n","-P 2n 2n","58","","","","- C32 H46 B2 N14 Ni2 O2 -","- C32 H46 B2 N14 Ni2 O2 -","- C64 H92 B4 N28 Ni4 O4 -","2","0.25","","López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván","Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6839","6847","10.1039/c5dt00181a","powder diffraction","","0.82449","synchrotron","","","","","","","","","6.0673","2.702","","","","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034240","17.9483","0.0017","19.1658","0.0018","15.6504","0.0015","90","","103.78","0.002","90","","5228.7","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H54 B2 Cl4 N14 Ni2 O2 -","- C45 H54 B2 Cl4 N14 Ni2 O2 -","- C180 H216 B8 Cl16 N56 Ni8 O8 -","4","0.5","","López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván","Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6839","6847","10.1039/c5dt00181a","","","0.71073","MoKα","","0.0869","0.0789","","","0.2206","0.2287","","","","","","0.984","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034241","8.1736","0.0004","15.1274","0.0008","14.9948","0.0008","90","","90.613","0.001","90","","1853.93","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 F12 N6 Ni2 O4 P2 -","- C26 H50 F12 N6 Ni2 O4 P2 -","- C52 H100 F24 N12 Ni4 O8 P4 -","2","0.5","","López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván","Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6839","6847","10.1039/c5dt00181a","","","0.71073","MoKα","","0.0646","0.0588","","","0.1243","0.1274","","","","","","1.243","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034242","7.8847","0.0001","26.3644","0.0004","11.5872","0.0002","90","","106.979","0.002","90","","2303.7","0.07","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(bis{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}carbamato-κ^2^<i>N</i>,<i>O</i>)(carbonyl)(nitrosyl)tungsten","","- C18 H36 N2 O4 P2 W -","- C18 H36 N2 O4 P2 W -","- C72 H144 N8 O16 P8 W4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.0212","0.0203","","","0.04","0.0403","","","","","","1.294","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034243","36.3651","0.0006","36.3651","0.0006","14.855","0.0003","90","","90","","90","","19644.6","0.6","183","2","183","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","(2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(carbonyl)(formato-κ<i>O</i>)(nitrosyl)tungsten tetrahydrofuran solvate (8/1)","","- C148 H312 N16 O33 P16 W8 -","- C148 H312 N16 O33 P16 W8 -","- C592 H1248 N64 O132 P64 W32 -","4","0.25","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.0972","0.0488","","","0.0619","0.0744","","","","","","0.987","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034244","7.3971","0.0001","13.2575","0.0002","23.8535","0.0004","90","","90","","90","","2339.24","0.06","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(dichloro)(nitrosyl)molybdenum","","- C16 H37 Cl2 Mo N2 O P2 -","- C16 H37 Cl2 Mo N2 O P2 -","- C64 H148 Cl8 Mo4 N8 O4 P8 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.042","0.0351","","","0.0852","0.0872","","","","","","1.03","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034245","7.4129","0.0001","13.2003","0.0002","23.88","0.0005","90","","90","","90","","2336.72","0.07","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(dichloro)(nitrosyl)tungsten","","- C16 H37 Cl2 N2 O P2 W -","- C16 H37 Cl2 N2 O P2 W -","- C64 H148 Cl8 N8 O4 P8 W4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.0473","0.0329","","","0.0488","0.0505","","","","","","0.895","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034246","12.1633","0.0006","13.088","0.0008","14.6045","0.0007","71.039","0.004","66.529","0.004","87.85","0.005","2005.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N6 O6 Pd2 -","- C38 H38 N6 O6 Pd2 -","- C76 H76 N12 O12 Pd4 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan","New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6880","6895","10.1039/c5dt00728c","","","0.71073","MoKα","","0.1081","0.0488","","","0.0927","0.1042","","","","","","0.805","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034247","11.546","0.0002","22.1844","0.0006","13.245","0.0003","90","","99.2996","0.0013","90","","3348","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O6 Pd -","- C26 H30 N6 O6 Pd -","- C104 H120 N24 O24 Pd4 -","4","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan","New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6880","6895","10.1039/c5dt00728c","","","0.71073","MoKα","","0.061","0.0482","","","0.1129","0.117","","","","","","1.083","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034248","11.5076","0.0003","22.355","0.0007","13.2889","0.0004","90","","99.2282","0.0017","90","","3374.36","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O6 Pt -","- C26 H30 N6 O6 Pt -","- C104 H120 N24 O24 Pt4 -","4","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan","New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6880","6895","10.1039/c5dt00728c","","","0.71073","MoKα","","0.0414","0.0321","","","0.0834","0.0866","","","","","","1.056","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034249","11.631","0.007","12.252","0.009","12.778","0.015","104.54","0.03","101.15","0.03","108.709","0.001","1593","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N7 O6 Pd -","- C26 H31 N7 O6 Pd -","- C52 H62 N14 O12 Pd2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan","New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6880","6895","10.1039/c5dt00728c","","","0.6889","","","0.1101","0.0875","","","0.2394","0.2626","","","","","","1.06","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034250","11.048","0.0004","11.489","0.0004","12.7247","0.0005","72.852","0.003","86.993","0.003","84.128","0.003","1534.83","0.1","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 Ag2 N14 O16 Pt -","- C52 H70 Ag2 N14 O16 Pt -","- C52 H70 Ag2 N14 O16 Pt -","1","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Kaya, Yunus; Samli, Hale; Harrison, William T. A.; Buyukgungor, Orhan","New palladium(ii) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2'-bipyridine and 2,2'-dipyridylamine: synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6880","6895","10.1039/c5dt00728c","","","0.71073","MoKα","","0.0226","0.0204","","","0.0435","0.044","","","","","","0.998","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034251","14.8845","0.0009","15.6342","0.0008","15.6534","0.0011","69.359","0.005","89.18","0.005","61.857","0.006","2954.4","0.4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H144 Cl6 Er2 N16 O10 -","- C98 H144 Cl6 Er2 N16 O10 -","- C98 H144 Cl6 Er2 N16 O10 -","1","0.5","","Shu, Yu-Bo; Liu, Wei-Sheng","A lanthanide salen ""square prism"" and a wrapped exo-lanthanide salen ""double decker"".","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6353","6357","10.1039/c4dt03959a","","","1.54184","CuKα","","0.1221","0.0792","","","0.1888","0.2044","","","","","","0.945","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034252","15.091","0.005","15.687","0.005","15.948","0.006","112.308","0.003","98.746","0.004","108.033","0.003","3161.5","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H67 Cl2 Cu6 Er N14 O4 -","- C55 H67 Cl2 Cu6 Er N14 O4 -","- C110 H134 Cl4 Cu12 Er2 N28 O8 -","2","1","","Shu, Yu-Bo; Liu, Wei-Sheng","A lanthanide salen ""square prism"" and a wrapped exo-lanthanide salen ""double decker"".","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6353","6357","10.1039/c4dt03959a","","","0.71073","MoKα","","0.0331","0.024","","","0.0545","0.0589","","","","","","0.973","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034253","12.3321","0.0006","9.5827","0.0004","21.5074","0.0009","90","","94.157","0.004","90","","2534.95","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br2 N4 Ni O12 -","- C20 H26 Br2 N4 Ni O12 -","- C80 H104 Br8 N16 Ni4 O48 -","4","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","0.71069","MoKα","","0.056","0.04","","","0.0843","0.0909","","","","","","1.109","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034254","20.9791","0.0014","14.469","0.002","26.9753","0.0019","90","","118.361","0.009","90","","7205.4","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 Br2 N3 Ni2 O9 -","- C31.96 H38.87 Br2 N2.92 Ni2 O9 -","- C255.68 H310.96 Br16 N23.36 Ni16 O72 -","8","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","0.71069","MoKα","","0.0346","0.0297","","","0.0649","0.0669","","","","","","1.113","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034255","21.9768","0.0003","9.7423","0.001","24.826","0.004","90","","95.237","0.002","90","","5293.2","1","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H23 Br2 N3 Ni2 O6 S -","- C23 H23 Br2 N3 Ni2 O6 S -","- C184 H184 Br16 N24 Ni16 O48 S8 -","8","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","1.5418","CuKα","","0.0538","0.0467","","","0.103","0.1071","","","","","","1.031","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034256","21.6387","0.0009","10.6943","0.0012","27.2254","0.0007","90","","111.474","0.002","90","","5862.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Br4 N11 Ni3 O17 -","- C48 H58 Br4 N10 Ni3 O17 -","- C192 H232 Br16 N40 Ni12 O68 -","4","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","0.71073","MoKα","","0.0608","0.0399","","","0.0862","0.0934","","","","","","1.038","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034257","11.7285","0.001","12.3966","0.0013","12.6195","0.0015","89.018","0.009","70.217","0.009","64.859","0.009","1545.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Br4 N4 Ni4 O22 -","- C46 H52 Br4 N4 Ni4 O14 -","- C46 H52 Br4 N4 Ni4 O14 -","1","0.5","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","1.54184","CuKα","","0.0556","0.0447","","","0.1239","0.1298","","","","","","1.094","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034258","13.388","0.0004","14.4846","0.0005","14.9568","0.0005","106.726","0.003","95.185","0.003","93.111","0.003","2756.53","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H54 Br4 N10 Ni4 O15 -","- C45 H50 Br4 N10 Ni4 O13 -","- C90 H100 Br8 N20 Ni8 O26 -","2","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","0.71073","MoKα","","0.0744","0.0496","","","0.1192","0.1302","","","","","","1.058","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034259","14.5764","0.0006","16.7449","0.0007","12.2037","0.0005","90","","112.151","0.002","90","","2758.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl2 N2 O Ru -","- C31 H30 Cl2 N2 O Ru -","- C124 H120 Cl8 N8 O4 Ru4 -","4","1","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9744","9755","10.1039/c5dt00433k","","x-ray","0.7107","MoKα","","0.0758","0.0382","","","0.0656","0.076","","","","","","1.021","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034260","8.464","0.0004","32.1234","0.0014","10.6949","0.0005","90","","108.894","0.003","90","","2751.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Cl2 N2 O Ru -","- C31 H30 Cl2 N2 O Ru -","- C124 H120 Cl8 N8 O4 Ru4 -","4","1","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9744","9755","10.1039/c5dt00433k","","x-ray","0.7107","MoKα","","0.1214","0.0836","","","0.1394","0.1484","","","","","","1.325","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034261","11.6641","0.0008","31.857","0.003","13.0216","0.001","90","","110.406","0.003","90","","4535","0.6","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C119 H112 N8 -","- C119 H112 N8 -","- C238 H224 N16 -","2","0.5","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9744","9755","10.1039/c5dt00433k","","x-ray","0.7107","MoKα","","0.1485","0.0667","","","0.1506","0.1926","","","","","","1.017","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034262","12.303","0.002","10.941","0.002","21.492","0.004","90","","106.131","0.002","90","","2779.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl3 N2 Rh -","- C30 H32 Cl3 N2 Rh -","- C120 H128 Cl12 N8 Rh4 -","4","1","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9744","9755","10.1039/c5dt00433k","","x-ray","0.7107","MoKα","","0.0436","0.0304","","","0.0637","0.0688","","","","","","1.042","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034263","61.082","0.003","20.4495","0.001","25.7085","0.0012","90","","90.0954","0.0008","90","","32112","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C158 H199 Li2 N13 O14 V2 -","- C158 H197.5 Li2 N13 O14 V2 -","- C1264 H1580 Li16 N104 O112 V16 -","8","1","","Redshaw, Carl; Walton, Mark; Michiue, Kenji; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Jiang, Chengying; Elsegood, Mark R. J.","Vanadyl calix[6]arene complexes: synthesis, structural studies and ethylene homo-(co-)polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12292","12303","10.1039/c5dt00376h","","","0.71073","MoKα","","0.1696","0.1179","","","0.313","0.3571","","","","","","1.11","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7034264","61.03","0.04","20.308","0.018","25.59","0.02","90","","90.11","0.02","90","","31716","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C161.34 H204.02 Li2 N14.67 O14 V2 -","- C161.344 H204.016 Li2 N14.672 O14 V2 -","- C1290.75 H1632.13 Li16 N117.376 O112 V16 -","8","1","","Redshaw, Carl; Walton, Mark; Michiue, Kenji; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Jiang, Chengying; Elsegood, Mark R. J.","Vanadyl calix[6]arene complexes: synthesis, structural studies and ethylene homo-(co-)polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12292","12303","10.1039/c5dt00376h","","","0.71073","MoKα","","0.2181","0.1724","","","0.3211","0.3445","","","","","","1.274","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034265","12.0813","0.0007","12.7544","0.0008","14.2206","0.001","90.879","0.006","94.563","0.007","117.961","0.008","1925.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 Li N3 O5 V -","- C39 H49 Li N3 O5 V -","- C78 H98 Li2 N6 O10 V2 -","2","1","","Redshaw, Carl; Walton, Mark; Michiue, Kenji; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Jiang, Chengying; Elsegood, Mark R. J.","Vanadyl calix[6]arene complexes: synthesis, structural studies and ethylene homo-(co-)polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12292","12303","10.1039/c5dt00376h","","","0.71073","MoKα","","0.118","0.0737","","","0.1815","0.2118","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7034266","8.328","0.0012","8.328","0.0012","23.012","0.005","90","","90","","120","","1382.2","0.4","302","2","302","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H11 Cr0.5 N Na0.5 O6 -","- C5 H10.92 Cr0.5 N0.99 Na0.5 O6 -","- C30 H65.52 Cr3 N5.94 Na3 O36 -","6","0.333333","","Mączka, Mirosław; Bondzior, Bartosz; Dereń, Przemysław; Sieradzki, Adam; Trzmiel, Justyna; Pietraszko, Adam; Hanuza, J.","Synthesis and characterization of [(CH3)2NH2][Na0.5Cr0.5(HCOO)3]: a rare example of luminescent metal-organic frameworks based on Cr(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6871","6879","10.1039/c5dt00060b","","","0.71073","MoKα","","0.0503","0.0372","","","0.0974","0.1005","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034267","8.3121","0.0012","8.3121","0.0012","22.778","0.005","90","","90","","120","","1362.9","0.4","115","2","115","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C5 H11 Cr0.5 N Na0.5 O6 -","- C5 H10.92 Cr0.5 N0.99 Na0.5 O6 -","- C30 H65.52 Cr3 N5.94 Na3 O36 -","6","0.333333","","Mączka, Mirosław; Bondzior, Bartosz; Dereń, Przemysław; Sieradzki, Adam; Trzmiel, Justyna; Pietraszko, Adam; Hanuza, J.","Synthesis and characterization of [(CH3)2NH2][Na0.5Cr0.5(HCOO)3]: a rare example of luminescent metal-organic frameworks based on Cr(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6871","6879","10.1039/c5dt00060b","","","0.71073","MoKα","","0.1203","0.0686","","","0.1131","0.1299","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034268","10.002","0.0005","23.8856","0.001","10.5417","0.0006","90","","112.103","0.006","90","","2333.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Dy N Si -","- C24 H36 Dy N Si -","- C96 H144 Dy4 N4 Si4 -","4","1","","Day, Benjamin M.; Chilton, Nicholas F.; Layfield, Richard A.","Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7109","7113","10.1039/c5dt00346f","","","0.71073","MoKα","","0.0398","0.0308","","","0.0627","0.0667","","","","","","1.031","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034269","12.0325","0.0003","16.3008","0.0004","14.0042","0.0004","90","","91.08","0.002","90","","2746.29","0.12","150.04","0.13","150.04","0.13","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H76 Cl6 Dy2 Li2 N6 Si2 -","- C36 H76 Cl6 Dy2 Li2 N6 Si2 -","- C72 H152 Cl12 Dy4 Li4 N12 Si4 -","2","0.5","","Day, Benjamin M.; Chilton, Nicholas F.; Layfield, Richard A.","Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7109","7113","10.1039/c5dt00346f","","","0.71073","MoKα","","0.0758","0.0448","","","0.0513","0.0602","","","","","","1.094","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034270","10.1555","0.0002","14.5701","0.0003","14.7592","0.0003","90","","92.645","0.002","90","","2181.54","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H41 B Cu F4 N3 O P2 -","- C51 H41 B Cu F4 N3 O P2 -","- C102 H82 B2 Cu2 F8 N6 O2 P4 -","2","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0244","0.0242","","","0.0731","0.0736","","","","","","1.002","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034271","24.905","0.005","15.045","0.003","15.151","0.003","90","","127.405","0.003","90","","4509.6","1.6","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","0.71073","MoKα","","0.04","0.0379","","","0.1045","0.1061","","","","","","0.949","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034272","24.814","0.009","15.188","0.005","15.388","0.006","90","","128.114","0.006","90","","4563","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","0.71073","MoKα","","0.0493","0.0453","","","0.1244","0.1296","","","","","","0.93","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034273","22.9494","0.0003","19.5135","0.0002","21.4611","0.0002","90","","90","","90","","9610.78","0.18","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C54 H45 B Cu F7 N3 O2 P2 -","- C54 H44 B Cu F7 N3 O2 P2 -","- C432 H352 B8 Cu8 F56 N24 O16 P16 -","8","1","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0746","0.0676","","","0.2023","0.2111","","","","","","0.991","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034274","20.7888","0.0003","13.5681","0.0002","32.2236","0.0004","90","","90","","90","","9089.1","0.2","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C52 H40 B Cu F7 N3 O P2 -","- C52 H40 B Cu F7 N3 O P2 -","- C416 H320 B8 Cu8 F56 N24 O8 P16 -","8","2","","Zhang, Qing; Chen, Jun; Wu, Xiao-Yuan; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Outstanding blue delayed fluorescence and significant processing stability of cuprous complexes with functional pyridine-pyrazolate diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6706","6710","10.1039/c5dt00865d","","","1.54178","CuKα","","0.0398","0.0387","","","0.115","0.1172","","","","","","1.004","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7034275","16.8441","0.0007","7.0162","0.0003","31.0687","0.0011","90","","95.858","0.004","90","","3652.6","0.3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","catena-{bis[μ~2~-N-(L-leucine methyl ester)-N'-(pyridin-3-ylmethyl)oxalamide]-dichloro-copper(II)}","","- C30 H42 Cl2 Cu N6 O8 -","- C30 H42 Cl2 Cu N6 O8 -","- C120 H168 Cl8 Cu4 N24 O32 -","4","1","","Cametti, Massimo; Cetina, Mario; Džolić, Zoran","Cu(ii)-specific metallogel formation by an amido-anthraquinone-pyridyloxalamide ligand in DMSO-water.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7223","7229","10.1039/c4dt03976a","","","0.71073","MoKα","","0.0672","0.0417","","","0.084","0.0927","","","","","","0.997","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034276","26.9516","0.0002","26.9516","0.0002","13.0398","0.0002","90","","90","","120","","8202.96","0.15","150","0.14","150","0.14","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C72 H66 Cl2 Cu4 N8 O43 -","- C72 H66 Cl2 Cu4 N8 O43 -","- C216 H198 Cl6 Cu12 N24 O129 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0637","0.0613","","","0.1678","0.171","","","","","","1.054","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034277","26.9979","0.0004","26.9979","0.0004","13.0953","0.0002","90","","90","","120","","8266.2","0.2","150","2","150","0.1","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C72 H66 Cl2 Cu4 N8 O43 -","- C72 H66 Cl2 Cu4 N8 O43 -","- C216 H198 Cl6 Cu12 N24 O129 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0824","0.0807","","","0.2077","0.2092","","","","","","1.06","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034278","16.74461","0.00011","16.74461","0.00011","34.2624","0.0003","90","","90","","120","","8319.52","0.11","160","0.14","160","0.14","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C103 H120 Cu4 N16 O33 -","- C103 H120 Cu4 N16 O33 -","- C309 H360 Cu12 N48 O99 -","3","0.5","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0249","0.0247","","","0.0643","0.0645","","","","","","1.073","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034279","17.37579","0.00016","18.2874","0.0002","32.7446","0.0002","77.6702","0.0008","78.5238","0.0007","64.3532","0.001","9096.12","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C300 H345 Cu12 N24 O105 -","- C300 H345 Cu12 N24 O105 -","- C300 H345 Cu12 N24 O105 -","1","1","","Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong","Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12180","12188","10.1039/c4dt03782k","","","1.54178","CuKα","","0.0494","0.0449","","","0.1183","0.1226","","","","","","1.045","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034280","10.839","0.0015","10.839","0.0015","59.167","0.012","90","","90","","120","","6019.9","1.7","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H38 N6 Ni S2 -","- C46 H38 N6 Ni S2 -","- C276 H228 N36 Ni6 S12 -","6","1","","Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.","Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6863","6870","10.1039/c5dt00084j","","","0.71073","MoKα","","0.0668","0.0461","","","0.1055","0.115","","","","","","1.028","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034281","10.671","0.002","19.132","0.004","59.609","0.012","90","","91.49","0.03","90","","12166","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N6 Ni S2 -","- C46 H34.6667 N6 Ni S2 -","- C552 H416 N72 Ni12 S24 -","12","1.5","","Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.","Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6863","6870","10.1039/c5dt00084j","","","0.71073","MoKα","","0.0917","0.0686","","","0.1639","0.1761","","","","","","1.062","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034282","10.781","0.0015","10.781","0.0015","59.78","0.012","90","","90","","120","","6017.3","1.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C46 H38 N6 Ni S2 -","- C46 H38 N6 Ni S2 -","- C276 H228 N36 Ni6 S12 -","6","1","","Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.","Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6863","6870","10.1039/c5dt00084j","","","0.71073","MoKα","","0.085","0.0692","","","0.1963","0.2143","","","","","","1.018","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034283","8.5966","0.0017","11.893","0.002","12.358","0.003","73.3","0.03","75.79","0.03","73.84","0.03","1143.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H46 Br4 Mn3 N5 O8 -","- C35 H44 Br4 Mn3 N5 O8 -","- C35 H44 Br4 Mn3 N5 O8 -","1","0.5","","Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun","Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5205","5210","10.1039/c4dt02533d","","","0.71073","MoKα","","0.108","0.0653","","","0.1936","0.225","","","","","","1.026","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034284","7.8658","0.0016","12.814","0.003","13.709","0.003","86.61","0.03","87.84","0.03","74.27","0.03","1327.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H64 Br5 Mn3 N2 O12 -","- C40 H64 Br5 Mn3 N2 O12 -","- C40 H64 Br5 Mn3 N2 O12 -","1","0.5","","Jiang, Yuan; Qin, Lei; Li, Guanghua; Abbas, Ghulam; Cao, Yaqun; Wu, Gang; Han, Tian; Zheng, Yan-Zhen; Qiu, Shilun","Self-assembly of linear [Mn(II)2Mn(III)] units with end-on azido bridges: the construction of a ferromagnetic chain using ST = 7 high-spin trimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5205","5210","10.1039/c4dt02533d","","","0.71073","MoKα","","0.0962","0.0616","","","0.1697","0.1968","","","","","","1.046","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034285","14.599","0.003","12.854","0.003","23.641","0.004","90","","97.627","0.004","90","","4397.1","1.6","93","2","93","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C71 H44 Dy2 F18 N4 O14 S6 -","- C71 H44 Dy2 F18 N4 O14 S6 -","- C142 H88 Dy4 F36 N8 O28 S12 -","2","0.5","","Cosquer, Goulven; Morimoto, Masakazu; Irie, Masahiro; Fetoh, Ahmed; Breedlove, Brian K.; Yamashita, Masahiro","Photo-control of the magnetic properties of Dy(iii) and Ho(iii) homometal coordination polymers bridged by a diarylethene ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5996","6002","10.1039/c4dt03093a","","","0.71073","MoKα","","0.1292","0.0793","","","0.1853","0.2235","","","","","","1.012","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7034286","27.054","0.008","12.49","0.003","29.279","0.008","90","","115.387","0.004","90","","8938","4","93.15","","93.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C71 H44 F18 Ho2 N4 O14 S6 -","- C142 H88 F36 Ho4 N8 O28 S12 -","- C284 H176 F72 Ho8 N16 O56 S24 -","2","0.5","","Cosquer, Goulven; Morimoto, Masakazu; Irie, Masahiro; Fetoh, Ahmed; Breedlove, Brian K.; Yamashita, Masahiro","Photo-control of the magnetic properties of Dy(iii) and Ho(iii) homometal coordination polymers bridged by a diarylethene ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5996","6002","10.1039/c4dt03093a","","","0.710747","MoKα","","0.081","0.0614","","","0.1443","0.1607","","","","","","1.096","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034287","17.733","0.002","8.1319","0.0011","26.416","0.004","90","","101.854","0.002","90","","3728","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Co N10 O12 -","- C36 H32 Co N10 O12 -","- C144 H128 Co4 N40 O48 -","4","0.5","","Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen","Solvent-induced synthesis of cobalt(ii) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6926","6935","10.1039/c5dt00578g","","","0.71073","MoKα","","0.0529","0.045","","","0.1351","0.1421","","","","","","1.055","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034288","11.8328","0.0009","23.8489","0.0018","13.5413","0.0008","90","","120.368","0.005","90","","3297","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Co F6 N4 O7 -","- C35 H24 Co F6 N4 O7 -","- C140 H96 Co4 F24 N16 O28 -","4","1","","Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen","Solvent-induced synthesis of cobalt(ii) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6926","6935","10.1039/c5dt00578g","","","0.71073","MoKα","","0.0676","0.0484","","","0.1343","0.1587","","","","","","1.074","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034289","16.2799","0.0008","7.2214","0.0004","24.2716","0.001","90","","116.419","0.003","90","","2555.5","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C104 H58 Co4 F24 N8 O19 -","- C104 H58 Co4 F24 N8 O19 -","- C104 H58 Co4 F24 N8 O19 -","1","0.25","","Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen","Solvent-induced synthesis of cobalt(ii) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6926","6935","10.1039/c5dt00578g","","","0.71073","MoKα","","0.0343","0.0321","","","0.0998","0.102","","","","","","1.023","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034290","22.639","0.007","22.322","0.007","14.117","0.005","90","","108.63","0.005","90","","6760","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 Co N5 O6 -","- C32 H23 Co N5 O6 -","- C256 H184 Co8 N40 O48 -","8","1","","Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen","Solvent-induced synthesis of cobalt(ii) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6926","6935","10.1039/c5dt00578g","","","0.71073","MoKα","","0.1168","0.0839","","","0.2215","0.2424","","","","","","1.049","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034291","25.614","0.002","12.2428","0.0012","18.9927","0.0019","90","","112.679","0.002","90","","5495.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H46 Co2 N8 O15 -","- C64 H46 Co2 N8 O15 -","- C256 H184 Co8 N32 O60 -","4","0.5","","Wang, Ting; Zhang, Chuanlei; Ju, Zemin; Zheng, Hegen","Solvent-induced synthesis of cobalt(ii) coordination polymers based on a rigid ligand and flexible carboxylic acid ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6926","6935","10.1039/c5dt00578g","","","0.71073","MoKα","","0.066","0.0537","","","0.1397","0.1494","","","","","","0.869","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034292","12.708","0.003","18.351","0.003","9.0615","0.0017","90","","92.622","0.006","90","","2111","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl N4 O -","- C25 H21 Cl N4 O -","- C100 H84 Cl4 N16 O4 -","4","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Biswas, Arnab; Kumar, Amit; Dubey, Mrigendra; Hundal, Maninder Singh; Pandey, Daya Shankar","A dual-responsive ""turn-on"" bifunctional receptor: a chemosensor for Fe(3+) and chemodosimeter for Hg(2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7118","7122","10.1039/c4dt03778b","","","0.71073","MoKα","","0.1545","0.0703","","","0.1875","0.2381","","","","","","1.02","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034293","3.8274","0.0006","29.579","0.004","8.6242","0.0012","90","","95.352","0.007","90","","972.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Biswas, Arnab; Kumar, Amit; Dubey, Mrigendra; Hundal, Maninder Singh; Pandey, Daya Shankar","A dual-responsive ""turn-on"" bifunctional receptor: a chemosensor for Fe(3+) and chemodosimeter for Hg(2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7118","7122","10.1039/c4dt03778b","","","0.71073","MoKα","","0.0931","0.062","","","0.1784","0.203","","","","","","1.032","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034294","13.029","0.002","22.884","0.005","13.417","0.003","90","","92.34","0.006","90","","3997","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl N4 O -","- C24 H17 Cl N4 O -","- C192 H136 Cl8 N32 O8 -","8","2","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Biswas, Arnab; Kumar, Amit; Dubey, Mrigendra; Hundal, Maninder Singh; Pandey, Daya Shankar","A dual-responsive ""turn-on"" bifunctional receptor: a chemosensor for Fe(3+) and chemodosimeter for Hg(2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7118","7122","10.1039/c4dt03778b","","","0.71073","MoKα","","0.2247","0.0667","","","0.1343","0.187","","","","","","0.937","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034295","9.3626","0.0013","9.5165","0.0016","12.62","0.002","85.853","0.007","86.132","0.007","80.744","0.007","1105.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N4 O -","- C24 H19 Cl N4 O -","- C48 H38 Cl2 N8 O2 -","2","1","","Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Biswas, Arnab; Kumar, Amit; Dubey, Mrigendra; Hundal, Maninder Singh; Pandey, Daya Shankar","A dual-responsive ""turn-on"" bifunctional receptor: a chemosensor for Fe(3+) and chemodosimeter for Hg(2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7118","7122","10.1039/c4dt03778b","","","0.71073","MoKα","","0.1157","0.0882","","","0.2696","0.3013","","","","","","1.027","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034296","25.8123","0.0007","21.5571","0.0004","14.729","0.0004","90","","116.529","0.003","90","","7332.8","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H41 Al N2 O2 -","- C46 H41 Al N2 O2 -","- C368 H328 Al8 N16 O16 -","8","1","","Bakewell, Clare; Fateh-Iravani, Giovanna; Beh, Daniel W.; Myers, Dominic; Tabthong, Sittichoke; Hormnirun, Pimpa; White, Andrew J. P.; Long, Nicholas; Williams, Charlotte K.","Comparing a series of 8-quinolinolato complexes of aluminium, titanium and zinc as initiators for the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12326","12337","10.1039/c5dt00192g","","","0.71073","MoKα","","0.0773","0.0544","","","0.1544","0.1677","","","","","","1.1","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034297","7.72046","0.00006","15.77008","0.00011","20.25661","0.00015","90","","90","","90","","2466.29","0.03","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl4 N2 O2 Zn2 -","- C24 H22 Cl4 N2 O2 Zn2 -","- C96 H88 Cl16 N8 O8 Zn8 -","4","0.5","","Bakewell, Clare; Fateh-Iravani, Giovanna; Beh, Daniel W.; Myers, Dominic; Tabthong, Sittichoke; Hormnirun, Pimpa; White, Andrew J. P.; Long, Nicholas; Williams, Charlotte K.","Comparing a series of 8-quinolinolato complexes of aluminium, titanium and zinc as initiators for the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12326","12337","10.1039/c5dt00192g","","","1.54184","CuKα","","0.031","0.0273","","","0.0764","0.0787","","","","","","1.085","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034298","11.8656","0.0005","12.3476","0.0006","14.4868","0.0007","80.956","0.004","69.131","0.004","78.832","0.004","1936.66","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H47 N3 O3 Zn3 -","- C43 H47 N3 O3 Zn3 -","- C86 H94 N6 O6 Zn6 -","2","1","","Bakewell, Clare; Fateh-Iravani, Giovanna; Beh, Daniel W.; Myers, Dominic; Tabthong, Sittichoke; Hormnirun, Pimpa; White, Andrew J. P.; Long, Nicholas; Williams, Charlotte K.","Comparing a series of 8-quinolinolato complexes of aluminium, titanium and zinc as initiators for the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12326","12337","10.1039/c5dt00192g","","","0.71073","MoKα","","0.0436","0.0323","","","0.0681","0.0738","","","","","","1.043","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034299","13.047","0.0004","16.0405","0.0005","14.9995","0.0005","90","","99.331","0.002","90","","3097.57","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Ni O2 P2 -","- C34 H46 Ni O2 P2 -","- C136 H184 Ni4 O8 P8 -","4","1","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0971","0.0561","","","0.1337","0.1544","","","","","","0.996","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034300","7.8641","0.0003","14.1716","0.0005","11.9392","0.0004","90","","101.328","0.002","90","","1304.67","0.08","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 Ni O2 P2 -","- C26 H38 Ni O2 P2 -","- C52 H76 Ni2 O4 P4 -","2","0.5","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0685","0.0463","","","0.1095","0.1211","","","","","","1.029","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034301","18.9605","0.0012","14.8022","0.0009","9.4584","0.0006","90","","95.672","0.003","90","","2641.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Ni O2 P2 -","- C26 H36 Ni O2 P2 -","- C104 H144 Ni4 O8 P8 -","4","1","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0924","0.0599","","","0.1453","0.1634","","","","","","0.982","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034302","14.3061","0.0002","14.3061","0.0002","15.3464","0.0002","90","","90","","90","","3140.86","0.07","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C34 H44 Ni O2 P2 -","- C34 H44 Ni O2 P2 -","- C136 H176 Ni4 O8 P8 -","4","0.5","","Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong","Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12128","12136","10.1039/c5dt00161g","","","1.54178","CuKα","","0.0408","0.036","","","0.0906","0.094","","","","","","1.048","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034303","10.2481","0.0004","27.2915","0.0011","15.7628","0.0006","90","","101.817","0.0004","90","","4315.2","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl3 Li N2 O2 Si Zr -","- C38 H64 Cl3 Li N2 O2 Si Zr -","- C152 H256 Cl12 Li4 N8 O8 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0423","0.0379","","","0.0961","0.0989","","","","","","1.112","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034304","15.266","0.002","18.419","0.003","19.316","0.003","90","","90","","90","","5431.4","1.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H86 Cl2 Li N3 O4 Si Zr -","- C48 H86 Cl2 Li N3 O4 Si Zr -","- C192 H344 Cl8 Li4 N12 O16 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0586","0.0485","","","0.1088","0.1135","","","","","","1.054","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034305","15.4463","0.0017","18.451","0.002","18.574","0.002","90","","90","","90","","5293.6","1","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46 H84 B Cl2 Li N2 O4 Si Zr -","- C46 H84 B Cl2 Li N2 O4 Si Zr -","- C184 H336 B4 Cl8 Li4 N8 O16 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0829","0.0795","","","0.2073","0.2096","","","","","","1.145","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034306","10.8302","0.0004","16.9778","0.0007","23.5656","0.0009","90","","91.998","0.001","90","","4330.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H70 B2 N4 O0.5 Si Zr -","- C37 H66 B2 N4 Si Zr -","- C148 H264 B8 N16 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0485","0.0357","","","0.0913","0.0967","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034307","11.3162","0.0004","13.2629","0.0005","24.9183","0.0009","90","","94.873","0.0004","90","","3726.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 N2 O Si Zr -","- C36 H62 N2 O Si Zr -","- C144 H248 N8 O4 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0333","0.0272","","","0.0726","0.0767","","","","","","1.04","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034308","25.9179","0.0011","10.9638","0.0005","36.5714","0.0015","90","","90.0434","0.0006","90","","10392.1","0.8","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H88 Cl Li N4 O3.5 Si Zr -","- C48 H88 Cl Li N4 O3.5 Si Zr -","- C384 H704 Cl8 Li8 N32 O28 Si8 Zr8 -","8","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0697","0.0461","","","0.1145","0.1288","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034309","11.174","0.0003","7.2448","0.0002","22.0107","0.0006","90","","92.12","0.001","90","","1780.62","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(4-Nitrophenyl)-N'-[2-methyl-ferrocenemethyl]-urea","","- C19 H20 Fe N3 O3.5 -","- C19 H20 Fe N3 O3.5 -","- C76 H80 Fe4 N12 O14 -","4","2","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0555","0.0434","","","0.088","0.0933","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034310","11.1747","0.0005","7.2439","0.0003","22.0137","0.0011","90","","92.116","0.002","90","","1780.76","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-N-(4-nitrophenyl)-N'-[2-methyl-ferrocenemethyl]-urea","","- C19 H20 Fe N3 O3.5 -","- C19 H20 Fe N3 O3.5 -","- C76 H80 Fe4 N12 O14 -","4","2","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0863","0.0542","","","0.0998","0.1118","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034311","5.7835","0.0004","30.636","0.003","9.2241","0.0008","90","","96.405","0.006","90","","1624.2","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-nitrophenyl)-N'-ferrocenemethyl-urea","","- C18 H17 Fe N3 O3 -","- C18 H17 Fe N3 O3 -","- C72 H68 Fe4 N12 O12 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0419","0.0374","","","0.0783","0.0811","","","","","","1.067","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034312","6.275","0.0002","19.7316","0.0007","24.4396","0.0008","90","","90","","90","","3026.01","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-N,N'-[1-(1-Ferrocenyl-2-phenyl)-ethyl]-urea","","- C37 H38 Fe2 N2 O2 -","- C37 H38 Fe2 N2 O2 -","- C148 H152 Fe8 N8 O8 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0752","0.0499","","","0.0736","0.0792","","","","","","1.043","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034313","8.5102","0.0004","8.7702","0.0005","26.0912","0.0015","90","","90","","90","","1947.35","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Fe2 N2 O -","- C23 H24 Fe2 N2 O -","- C92 H96 Fe8 N8 O4 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0932","0.0671","","","0.1164","0.1287","","","","","","1.169","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034314","8.5841","0.0002","12.0772","0.0002","9.4047","0.0002","90","","97.127","0.002","90","","967.47","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':k2O,O'':kO''')europium(III)]","","- C6 H4 Eu N3 O8 -","- C6 H4 Eu N3 O8 -","- C24 H16 Eu4 N12 O32 -","4","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio","Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6972","6986","10.1039/c4dt03797a","","","1.5418","CuKα","","0.0209","0.0199","","","0.0481","0.0487","","","","","","1.046","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034315","8.722","0.0002","12.282","0.0002","9.578","0.0002","90","","96.64","0.002","90","","1019.15","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':k2O,O'':kO''')lanthanum(III)]","","- C6 H4 La N3 O8 -","- C6 H4 La N3 O8 -","- C24 H16 La4 N12 O32 -","4","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio","Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6972","6986","10.1039/c4dt03797a","","","1.5418","CuKα","","0.0175","0.017","","","0.0439","0.0443","","","","","","1.059","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034316","8.632","0.0002","12.147","0.0003","9.452","0.0002","90","","96.879","0.001","90","","983.94","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':k2O,O'':kO''')neodymium(III)]","","- C6 H4 N3 Nd O8 -","- C6 H4 N3 Nd O8 -","- C24 H16 N12 Nd4 O32 -","4","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio","Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6972","6986","10.1039/c4dt03797a","","","0.71073","MoKα","","0.0325","0.0238","","","0.0426","0.0446","","","","","","1.026","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034317","15.8956","0.0004","15.8956","0.0004","7.6028","0.0002","90","","90","","120","","1663.64","0.07","100","2","100","2","","","","","","","synthesis as described","5","P 63","P 6c","173","","Poly{[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':kO'':kO''')gadolinium(III)]hydrate}","","- C6 H6 Gd N3 O9 -","- C6 H6 Gd N3 O9 -","- C36 H36 Gd6 N18 O54 -","6","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio","Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6972","6986","10.1039/c4dt03797a","","","1.5418","CuKα","","0.02","0.0173","","","0.033","0.0338","","","","","","0.969","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034318","12.2277","0.0006","13.1904","0.0005","15.9272","0.0008","90","","100.174","0.005","90","","2528.5","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se7 Sn3 -","- C6 H24 Mn N6 Se7 Sn3 -","- C24 H96 Mn4 N24 Se28 Sn12 -","4","1","","Du, Cheng-Feng; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Shen, Nan-Nan; Huang, Xiao-Ying","Varied forms of lamellar [Sn3Se7]n(2n-) anion: the competitive and synergistic structure-directing effects of metal-amine complex and imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7364","7372","10.1039/c5dt00620a","","","0.71073","MoKα","","0.0622","0.0402","","","0.0795","0.089","","","","","","1.019","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034319","12.3987","0.0005","13.315","0.0004","16.6672","0.0006","90","","96.378","0.004","90","","2734.54","0.17","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Mn N6 O Se7 Sn3 -","- C8 H28 Mn N6 O Se7 Sn3 -","- C32 H112 Mn4 N24 O4 Se28 Sn12 -","4","1","","Du, Cheng-Feng; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Shen, Nan-Nan; Huang, Xiao-Ying","Varied forms of lamellar [Sn3Se7]n(2n-) anion: the competitive and synergistic structure-directing effects of metal-amine complex and imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7364","7372","10.1039/c5dt00620a","","","0.71073","MoKα","","0.045","0.0306","","","0.0605","0.0658","","","","","","1.017","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034320","19.4488","0.0005","19.5108","0.0005","26.6148","0.0007","90","","109.587","0.003","90","","9514.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H99 Cl Mn2 N18 Se21 Sn9 -","- C39 H99 Cl Mn2 N18 Se21 Sn9 -","- C156 H396 Cl4 Mn8 N72 Se84 Sn36 -","4","1","","Du, Cheng-Feng; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Shen, Nan-Nan; Huang, Xiao-Ying","Varied forms of lamellar [Sn3Se7]n(2n-) anion: the competitive and synergistic structure-directing effects of metal-amine complex and imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7364","7372","10.1039/c5dt00620a","","","0.71073","MoKα","","0.0757","0.0553","","","0.1223","0.1333","","","","","","1.037","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034321","13.4256","0.0003","29.9039","0.001","19.5845","0.0007","90","","106.643","0.003","90","","7533.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C70 H154 Mn2 N24 Se35 Sn15 -","- C70 H52 Mn2 N24 Se35 Sn15 -","- C140 H104 Mn4 N48 Se70 Sn30 -","2","0.5","","Du, Cheng-Feng; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Shen, Nan-Nan; Huang, Xiao-Ying","Varied forms of lamellar [Sn3Se7]n(2n-) anion: the competitive and synergistic structure-directing effects of metal-amine complex and imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7364","7372","10.1039/c5dt00620a","","","0.71073","MoKα","","0.1158","0.0846","","","0.165","0.1811","","","","","","1.016","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034322","7.8882","0.0002","7.8882","0.0002","38.0767","0.0007","90","","90","","90","","2369.27","0.1","298","","298","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","copper(II) hexafluoroacetylacetonate bipyridine [Cu(hfacac)2(bpy)]","","","- C20 H10 Cu F12 N2 O4 -","- C20 H10 Cu F12 N2 O4 -","- C80 H40 Cu4 F48 N8 O16 -","4","0.5","","López-Periago, A; Vallcorba, O.; Frontera, C.; Domingo, C.; Ayllón, J A","Exploring a novel preparation method of 1D metal organic frameworks based on supercritical CO2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7548","7553","10.1039/c5dt00521c","powder diffraction","","0.61978","Synchrotron","","","","","","","","","0.028","5.309","","","","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034323","10.4264","0.0005","17.409","0.0008","27.1794","0.0012","90","","90","","90","","4933.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl2 Ir N6 O -","- C22 H27 Cl2 Ir N6 O -","- C176 H216 Cl16 Ir8 N48 O8 -","8","2","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.0382","0.0307","","","0.0588","0.0629","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034324","13.2553","0.0005","12.9876","0.0007","13.5364","0.0006","90","","106.435","0.003","90","","2235.14","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Ir N4 O9 -","- C19 H25 Ir N4 O3 -","- C76 H100 Ir4 N16 O12 -","4","1","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.0566","0.049","","","0.1541","0.1609","","","","","","1.067","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034325","9.9001","0.0002","14.2474","0.0003","26.5788","0.0006","90","","93.156","0.001","90","","3743.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl6 Ir2 N4 -","- C32 H48 Cl6 Ir2 N4 -","- C128 H192 Cl24 Ir8 N16 -","4","1","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.0283","0.0229","","","0.0528","0.0568","","","","","","1.143","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034326","44.234","0.002","44.234","0.002","10.1891","0.0005","90","","90","","120","","17265.5","1.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H46 Cl4 Ir2 N4 S2 -","- C33 H46 Cl4 Ir2 N4 S2 -","- C594 H828 Cl72 Ir36 N72 S36 -","18","1","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.084","0.039","","","0.041","0.0474","","","","","","0.807","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034327","9.0713","0.0002","24.61","0.002","16.8975","0.0005","90","","90","","90","","3772.3","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H56 N2 Ni O2 -","- C46 H56 N2 Ni O2 -","- C184 H224 N8 Ni4 O8 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.1023","0.0756","","","0.1611","0.1803","","","","","","1.025","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034328","17.143","0.0005","13.1907","0.0002","17.542","0.0004","90","","114.528","0.003","90","","3608.78","0.17","100","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N2 Ni O -","- C44 H52 N2 Ni O -","- C176 H208 N8 Ni4 O4 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.0497","0.0371","","","0.0831","0.089","","","","","","1.041","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034329","13.0464","0.0006","17.1568","0.0008","15.5211","0.0006","90","","101.257","0.002","90","","3407.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PW34","","","- C42 H46 N2 Ni O -","- C42 H46 N2 Ni O -","- C168 H184 N8 Ni4 O4 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.122","0.073","","","0.124","0.14","","","","","","1.08","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034330","10.6985","0.0001","15.4023","0.0001","16.7954","0.0001","90","","96.035","0.001","90","","2752.23","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 Ni -","- C33 H36 N2 Ni -","- C132 H144 N8 Ni4 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.0413","0.0322","","","0.082","0.0877","","","","","","1.061","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034331","13.4758","0.0002","13.6096","0.0002","17.1452","0.0003","90","","105.054","0.002","90","","3036.52","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 N2 Ni -","- C38 H40 N2 Ni -","- C152 H160 N8 Ni4 -","4","1","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.0422","0.034","","","0.086","0.0911","","","","","","1.021","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034332","15.3884","0.0004","15.3884","0.0004","61.781","0.002","90","","90","","120","","12669.9","0.6","100","0.2","100","0.2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C69 H93 Cl17 N6 Ni -","- C69 H93 Cl17 N6 Ni -","- C414 H558 Cl102 N36 Ni6 -","6","0.333333","","Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander","Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7169","7176","10.1039/c4dt03786c","","","0.71073","MoKα","","0.0691","0.0618","","","0.1636","0.1693","","","","","","1.067","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034333","9.0491","0.0004","12.7601","0.0005","16.7496","0.0009","90","","109.944","0.004","90","","1818.04","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O -","- C18 H26 N4 O -","- C72 H104 N16 O4 -","4","1","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.0784","0.0592","","","0.1609","0.1735","","","","","","1.15","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034334","30.9905","0.0015","30.9905","0.0015","12.3331","0.0006","90","","90","","120","","10257.9","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","1d","","","- C22 H34 N4 O S -","- C22 H34 N4 O S -","- C396 H612 N72 O18 S18 -","18","1","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","0.7107","MoKα","","0.0728","0.0596","","","0.1686","0.1833","","","","","","1.065","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034335","15.1711","0.0006","15.1711","0.0006","25.4506","0.0013","90","","90","","90","","5857.8","0.4","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C128 H148 K4 N16 O8 -","- C128 H148 K4 N16 O8 -","- C256 H296 K8 N32 O16 -","2","0.25","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.076","0.0586","","","0.1573","0.1771","","","","","","1.043","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034336","28.2189","0.0018","10.5566","0.0007","31.0868","0.0017","90","","108.476","0.006","90","","8783.3","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 K2 N5 O Si2 -","- C40 H59 K2 N5 O Si2 -","- C320 H472 K16 N40 O8 Si16 -","8","2","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.1036","0.083","","","0.2127","0.2367","","","","","","1.036","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034337","16.8744","0.0006","14.2505","0.0006","23.1944","0.0013","90","","114.678","0.004","90","","5068.1","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C102 H150 Li2 N16 O6 -","- C102 H150 Li2 N16 O6 -","- C204 H300 Li4 N32 O12 -","2","0.5","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.1014","0.0826","","","0.2408","0.241","","","","","","1.075","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034338","13.3821","0.0004","18.2812","0.0003","18.951","0.0005","90","","103.948","0.002","90","","4499.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 Ca K N6 O Si4 -","- C30 H61 Ca K N6 O Si4 -","- C120 H244 Ca4 K4 N24 O4 Si16 -","4","1","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.0549","0.0418","","","0.1041","0.1128","","","","","","0.997","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034339","13.5505","0.0008","14.8203","0.001","20.0745","0.0014","95.918","0.006","96.395","0.005","101.199","0.005","3897.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H212 Ca5 K4 N20 O10 Si12 -","- C118 H212 Ca5 K4 N20 O10 Si12 -","- C118 H212 Ca5 K4 N20 O10 Si12 -","1","0.5","","Naktode, Kishor; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazol-2-ylidene-N'-phenylureate ligands in alkali and alkaline earth metal coordination spheres - heterocubane core to polymeric structural motif formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7458","7469","10.1039/c5dt00490j","","","1.54184","CuKα","","0.0965","0.0533","","","0.1649","0.1758","","","","","","1.064","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034340","6.977","0.0016","12.184","0.003","15.543","0.004","87.923","0.004","84.029","0.005","84.203","0.005","1306.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28 Cl3 N3 O3 Pd -","- C25 H28 Cl3 N3 O3 Pd -","- C50 H56 Cl6 N6 O6 Pd2 -","2","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1235","0.0683","","","0.1067","0.1232","","","","","","0.861","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034341","14.194","0.004","15.316","0.004","15.711","0.004","61.002","0.005","77.05","0.007","80.162","0.007","2903.6","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl3 N3 O2 Pd -","- C28 H32 Cl3 N3 O2 Pd -","- C112 H128 Cl12 N12 O8 Pd4 -","4","2","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1888","0.0873","","","0.1788","0.2173","","","","","","0.848","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034342","17.674","0.004","8.9111","0.0019","24.267","0.005","90","","93.133","0.005","90","","3816.2","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N3 Pd -","- C22 H22 Cl N3 Pd -","- C176 H176 Cl8 N24 Pd8 -","8","2","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1237","0.0582","","","0.0914","0.1078","","","","","","0.89","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034343","11.41","0.008","17.663","0.013","12.991","0.009","90","","94.182","0.013","90","","2611","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cl4 N3 Pd -","- C26 H29 Cl4 N3 Pd -","- C104 H116 Cl16 N12 Pd4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.0615","0.0446","","","0.0904","0.0955","","","","","","1.044","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034344","17.244","0.011","11.142","0.008","12.238","0.008","90","","105.925","0.014","90","","2261","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N3 Pd -","- C28 H27 N3 Pd -","- C112 H108 N12 Pd4 -","4","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1615","0.0732","","","0.121","0.145","","","","","","0.867","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034345","12.118","0.003","10.844","0.003","40.25","0.01","90","","90","","90","","5289","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H33 N3 Pd -","- C31 H33 N3 Pd -","- C248 H264 N24 Pd8 -","8","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.0569","0.0431","","","0.0906","0.0955","","","","","","1.122","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034346","14.155","0.007","16.226","0.008","17.503","0.008","89.109","0.009","76.364","0.011","70.267","0.01","3668","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H28 Cl6 F3 N4 O3 Pd S -","- C30 H28 Cl6 F3 N4 O3 Pd S -","- C120 H112 Cl24 F12 N16 O12 Pd4 S4 -","4","2","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.2711","0.1055","","","0.2112","0.2821","","","","","","0.829","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034347","12.906","0.01","8.308","0.006","39.43","0.03","90","","90","","90","","4228","6","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N3 -","- C25 H29 N3 -","- C200 H232 N24 -","8","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1397","0.0628","","","0.1155","0.1377","","","","","","0.871","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034348","13.8489","0.0004","17.5351","0.0006","19.0192","0.0007","90","","90","","90","","4618.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H90 Li2 Mg2 N4 -","- C38 H90 Li2 Mg2 N4 -","- C152 H360 Li8 Mg8 N16 -","4","0.5","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","1.5418","CuKα","","0.0709","0.0501","","","0.1387","0.1596","","","","","","1.023","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034349","12.0911","0.0007","15.571","0.0007","13.7974","0.0007","90","","101.39","0.006","90","","2546.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H100 Li2 Mg2 N6 -","- C42 H100 Li2 Mg2 N6 -","- C84 H200 Li4 Mg4 N12 -","2","0.5","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","0.71073","MoKα","","0.1148","0.0706","","","0.1839","0.2114","","","","","","1.037","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034350","9.906","0.0012","14.551","0.0013","17.7804","0.0017","90","","96.405","0.011","90","","2546.9","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H98 Li2 Mg2 N4 -","- C44 H98 Li2 Mg2 N4 -","- C88 H196 Li4 Mg4 N8 -","2","1","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","0.71073","MoKα","","0.1355","0.0714","","","0.1625","0.1895","","","","","","0.94","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034351","10.0718","0.0002","13.5833","0.0002","16.9469","0.0003","90","","95.751","0.002","90","","2306.81","0.07","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H86 Li2 Mg2 N4 O2 -","- C36 H86 Li2 Mg2 N4 O2 -","- C72 H172 Li4 Mg4 N8 O4 -","2","0.5","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","1.5418","CuKα","","0.0565","0.0508","","","0.145","0.1521","","","","","","1.042","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034352","10.5458","0.0008","22.265","0.002","18.0116","0.0012","90","","93.437","0.007","90","","4221.6","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Li Mg O2 -","- C19 H38 Li Mg O2 -","- C152 H304 Li8 Mg8 O16 -","8","1","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","0.71073","MoKα","","0.1318","0.0924","","","0.242","0.2721","","","","","","1.057","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034353","9.3155","0.0007","5.3958","0.0005","17.9757","0.0017","90","","101.172","0.006","90","","886.42","0.14","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- B5 Ba2 Cl O15 Pb6 -","- B5 Ba2 Cl O15 Pb6 -","- B10 Ba4 Cl2 O30 Pb12 -","2","0.25","","Liu, Lu; Zhang, Bingbing; Zhang, Fangfang; Pan, Shilie; Zhang, Fangyuan; Zhang, Xingwen; Dong, Xiaoyu; Yang, Zhihua","Pb6Ba2(BO3)5X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb(2+) and (BO3)(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7041","7047","10.1039/c5dt00641d","","","0.71073","MoKα","","0.0554","0.0465","","","0.1033","0.1063","","","","","","1.12","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034354","9.306","0.005","5.388","0.003","17.994","0.009","90","","101.513","0.006","90","","884.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- B5 Ba2 Br O15 Pb6 -","- B5 Ba2 Br O15 Pb6 -","- B10 Ba4 Br2 O30 Pb12 -","2","0.25","","Liu, Lu; Zhang, Bingbing; Zhang, Fangfang; Pan, Shilie; Zhang, Fangyuan; Zhang, Xingwen; Dong, Xiaoyu; Yang, Zhihua","Pb6Ba2(BO3)5X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb(2+) and (BO3)(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7041","7047","10.1039/c5dt00641d","","","0.71073","MoKα","","0.0633","0.0574","","","0.1632","0.1717","","","","","","1.088","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034355","9.738","0.002","11.472","0.003","15.671","0.004","80.149","0.004","80.41","0.004","65.723","0.003","1563.3","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N5 O4 -","- C35 H35 N5 O4 -","- C70 H70 N10 O8 -","2","1","","Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Pal, Siddhartha; Chattopadhyay, Pabitra","A rhodamine-based 'turn-on' Al(3+) ion-selective reporter and the resultant complex as a secondary sensor for F(-) ion are applicable to living cell staining.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8708","8717","10.1039/c5dt00315f","","","0.71073","MoKα","","0.0919","0.0725","","","0.192","0.2114","","","","","","1.001","","","","has coordinates","194038","2020-10-21","18:00:00",""
"7034356","13.9033","0.0003","18.5803","0.0003","21.1933","0.0004","94.839","0.001","96.918","0.001","105.839","0.001","5189.06","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Cd8S(SPh)14(DMF)3 cluster","","- C93 H91 Cd8 N3 O3 S15 -","- C93 H91 Cd8 N3 O3 S15 -","- C186 H182 Cd16 N6 O6 S30 -","2","1","","Matlachowski, Corinna; Schwalbe, Matthias","Photochemical CO2-reduction catalyzed by mono- and dinuclear phenanthroline-extended tetramesityl porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6480","6489","10.1039/c4dt03846k","","","0.71073","MoKα","","0.0651","0.0399","","","0.0947","0.1071","","","","","","1.032","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034357","13.5519","0.0014","26.283","0.003","32.05","0.004","90","","98.004","0.007","90","","11305","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd8S(SPh)14(DMF)(bpy) coordination polymer","","- C100 H90 Cd8 N4 O2 S15 -","- C100 H90 Cd8 N4 O2 S15 -","- C400 H360 Cd32 N16 O8 S60 -","4","1","","Matlachowski, Corinna; Schwalbe, Matthias","Photochemical CO2-reduction catalyzed by mono- and dinuclear phenanthroline-extended tetramesityl porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6480","6489","10.1039/c4dt03846k","","","0.71073","MoKα","","0.1694","0.0706","","","0.1654","0.2138","","","","","","1.026","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034358","8.8681","0.0005","8.882","0.0006","9.634","0.0006","77.006","0.005","75.896","0.005","64.32","0.005","657.07","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 B5 N O10 -","- C4 H14 B5 N O10 -","- C8 H28 B10 N2 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.","Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7032","7040","10.1039/c5dt00248f","","","0.71075","MoKα","K-L~2,3~","0.0609","0.0383","","","0.0981","0.1301","","","","","","1.198","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034359","14.496","0.003","11.64","0.002","18.255","0.004","90","","107.2","0.004","90","","2942.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6.5 H19 B5 N O10.5 -","- C6.5 H19 B5 N O10.5 -","- C52 H152 B40 N8 O84 -","8","1","","Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.","Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7032","7040","10.1039/c5dt00248f","","","0.71075","MoKα","","0.0337","0.032","","","0.087","0.0884","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034360","9.166","0.004","9.38","0.005","9.883","0.004","64.88","0.02","75.49","0.03","84.73","0.04","744.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 B5 N O10 -","- C6 H18 B5 N O10 -","- C12 H36 B10 N2 O20 -","2","1","","Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.","Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7032","7040","10.1039/c5dt00248f","","","0.71075","MoKα","","0.0595","0.0524","","","0.1473","0.1549","","","","","","1.084","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034361","9.1164","0.0005","9.1691","0.0005","9.5532","0.0007","75.798","0.005","69.608","0.004","82.611","0.005","724.81","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H17 B5 N O11.5 -","- C5 H17 B5 N O11.5 -","- C10 H34 B10 N2 O23 -","2","2","","Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.","Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7032","7040","10.1039/c5dt00248f","","","0.71075","MoKα","","0.036","0.0349","","","0.095","0.096","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034362","12.935","0.018","8.622","0.012","17.02","0.02","90","","110.78","0.03","90","","1775","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H26 Ge N2 O -","- C17.5 H26 Ge N2 O -","- C70 H104 Ge4 N8 O4 -","4","1","","Matioszek, D.; Ojo, W.-S.; Cornejo, A.; Katir, N.; El Ezzi, M.; Le Troedec, M.; Martinez, H.; Gornitzka, H.; Castel, A.; Nayral, C.; Delpech, F.","From rational design of organometallic precursors to optimized synthesis of core/shell Ge/GeO2 nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7242","7250","10.1039/c5dt00392j","","","0.71073","MoKα","","0.0608","0.0508","","","0.154","0.1631","","","","","","1.134","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7034363","21.0992","0.0011","8.055","0.0004","12.9164","0.0007","90","","90","","90","","2195.2","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H29 Ge N3 -","- C25 H29 Ge N3 -","- C100 H116 Ge4 N12 -","4","1","","Matioszek, D.; Ojo, W.-S.; Cornejo, A.; Katir, N.; El Ezzi, M.; Le Troedec, M.; Martinez, H.; Gornitzka, H.; Castel, A.; Nayral, C.; Delpech, F.","From rational design of organometallic precursors to optimized synthesis of core/shell Ge/GeO2 nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7242","7250","10.1039/c5dt00392j","","","0.71073","MoKα","","0.0299","0.0244","","","0.0563","0.0583","","","","","","1.043","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034364","10.4122","0.0007","39.269","0.002","12.1425","0.0008","90","","90.994","0.001","90","","4964","0.5","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6-t-butyl-2-(diphenylphosphanyl)phenolato-O,P)-methyl-pyridine-nickel","","- C28 H30 N Ni O P -","- C28 H30 N Ni O P -","- C224 H240 N8 Ni8 O8 P8 -","8","2","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.0809","0.0572","","","0.1293","0.1412","","","","","","1.039","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034365","14.0396","0.0013","13.6829","0.0013","14.8362","0.0014","90","","111.474","0.002","90","","2652.2","0.4","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(6-pentafluorophenyl-2-(diphenylphosphanyl)phenolato-O,P)-methyl-pyridine-nickel","","- C30 H21 F5 N Ni O P -","- C30 H21 F5 N Ni O P -","- C120 H84 F20 N4 Ni4 O4 P4 -","4","1","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.0686","0.0527","","","0.1365","0.1484","","","","","","1.054","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034366","12.9127","0.0013","13.303","0.002","13.3881","0.0013","98.806","0.002","114.932","0.002","107.871","0.002","1875.5","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(6-t-butyl-2-(t-butyl-phenylphosphanyl)phenolato-O,P)-nickel","","- C40 H52 Ni O2 P2 -","- C40 H52 Ni O2 P2 -","- C80 H104 Ni2 O4 P4 -","2","1","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.1274","0.0632","","","0.1168","0.1453","","","","","","0.973","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034367","31.683","0.003","10.7807","0.001","16.0669","0.0015","90","","115.753","0.002","90","","4942.8","0.8","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(6-t-butyl-2-(t-butyl-phenylphosphanyl)phenolato-O,P)-hydroxyl-pyridine-nickel","","- C25 H32 N Ni O2 P -","- C25 H32 N Ni O2 P -","- C200 H256 N8 Ni8 O16 P8 -","8","1","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.0964","0.0521","","","0.1053","0.1245","","","","","","1","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034368","13.2453","0.0009","11.7477","0.0008","15.6869","0.0008","90","","119.71","0.004","90","","2120","0.2","185","2","185","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","cis-bis(6-t-butyl-2-(diphenylphosphanyl)phenolato-O,P)-nickel","","- C51 H52 N0 Ni O2 P2 -","- C51 H52 Ni O2 P2 -","- C102 H104 Ni2 O4 P4 -","2","0.5","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.0542","0.0404","","","0.0936","0.1007","","","","","","1.024","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034369","8.7278","0.0006","11.8643","0.0009","13.9859","0.001","94.972","0.001","99.18","0.001","108.4","0.001","1342","0.17","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","(3-t-butyl-N-(2,6-diisopropylphenyl)salicylaldiminato)-methyl-pyridine-nickel","","- C29 H38 N2 Ni O -","- C29 H38 N2 Ni O -","- C58 H76 N4 Ni2 O2 -","2","1","","Zhang, Yan-Ping; Li, Wei-Wei; Li, Bai-Xiang; Mu, Hong-Liang; Li, Yue-Sheng","Well-defined phosphino-phenolate neutral nickel(ii) catalysts for efficient (co)polymerization of norbornene and ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7382","7394","10.1039/c5dt00074b","","","0.71073","MoKα","","0.0717","0.0582","","","0.1509","0.1727","","","","","","1.091","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034370","24.727","0.005","10.885","0.002","22.858","0.005","90","","99.6","0.03","90","","6066","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H37 B9 Cl2 Gd Na O4 -","- C16 H37 B9 Cl2 Gd Na O4 -","- C128 H296 B72 Cl16 Gd8 Na8 O32 -","8","1","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.0753","0.0713","","","0.208","0.2154","","","","","","1.115","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034371","10.7748","0.0004","16.1866","0.0007","18.1602","0.0007","112.474","0.001","90.276","0.001","109.135","0.001","2734.14","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H41 B9 N O3 Y -","- C21 H41 B9 N O3 Y -","- C84 H164 B36 N4 O12 Y4 -","4","2","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.085","0.0438","","","0.0978","0.1142","","","","","","1.004","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034372","10.7773","0.0019","22.095","0.004","18.481","0.004","90","","93.295","0.004","90","","4393.5","1.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H57 B9 N3 O3 Y -","- C30 H57 B9 N3 O3 Y -","- C120 H228 B36 N12 O12 Y4 -","4","2","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.1194","0.0822","","","0.1912","0.2101","","","","","","0.975","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034373","14.8478","0.0011","15.4137","0.0011","19.8005","0.0015","91.918","0.002","90.719","0.002","96.721","0.002","4497.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 B9 N2 O4 Y -","- C33 H50 B9 N2 O4 Y -","- C132 H200 B36 N8 O16 Y4 -","4","2","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.1792","0.0994","","","0.2658","0.2938","","","","","","1.017","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034374","12.1388","0.001","17.5513","0.0014","21.6196","0.0019","90","","104.141","0.002","90","","4466.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H59 B9 N3 O5 Y -","- C39 H59 B9 N3 O5 Y -","- C156 H236 B36 N12 O20 Y4 -","4","1","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.1211","0.0718","","","0.1731","0.21","","","","","","0.996","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034375","11.1244","0.0008","11.5896","0.0008","20.4231","0.0015","94.053","0.002","92.495","0.002","94.176","0.001","2616.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H69 B9 N3 O3 Y -","- C43 H69 B9 N3 O3 Y -","- C86 H138 B18 N6 O6 Y2 -","2","1","","Yang, Jingying; Xie, Zuowei","Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η(1):η(5)-O(CH2)2C2B9H9]Ln(σ:η(1)-CH2C6H4-o-NMe2)(THF)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6630","6637","10.1039/c5dt00095e","","","0.71073","MoKα","","0.0671","0.0495","","","0.1218","0.1289","","","","","","0.97","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034376","10.6693","0.0006","34.625","0.0019","12.5781","0.0007","90","","102.98","0.004","90","","4527.9","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl F6 Ir N2 O4 P2 -","- C50 H40 Cl F6 Ir N2 O4 P2 -","- C200 H160 Cl4 F24 Ir4 N8 O16 P8 -","4","1","","Alam, Parvej; Kaur, Gurpreet; Chakraborty, Shamik; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman","""Aggregation induced phosphorescence"" active ""rollover"" iridium(iii) complex as a multi-stimuli-responsive luminescence material.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6581","6592","10.1039/c4dt03424d","","","0.71073","MoKα","","0.0948","0.0524","","","0.0887","0.1","","","","","","1.023","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034377","9.919","0.002","13.38","0.003","16.79","0.003","76.14","0.008","73.984","0.008","87.58","0.008","2078.8","0.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H39 B Cl F4 Ir N2 P2 -","- C46 H39 B Cl F4 Ir N2 P2 -","- C92 H78 B2 Cl2 F8 Ir2 N4 P4 -","2","1","","Alam, Parvej; Kaur, Gurpreet; Chakraborty, Shamik; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman","""Aggregation induced phosphorescence"" active ""rollover"" iridium(iii) complex as a multi-stimuli-responsive luminescence material.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6581","6592","10.1039/c4dt03424d","","","0.71073","MoKα","","0.0299","0.0248","","","0.0547","0.0561","","","","","","1.051","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034378","19.758","0.0005","9.6623","0.0002","14.9521","0.0004","90","","90","","90","","2854.47","0.12","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As Ce N4 S3 -","- C6 H18 As Ce N4 S3 -","- C48 H144 As8 Ce8 N32 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.031","0.029","","","0.0623","0.0634","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034379","19.7203","0.0005","9.6404","0.0002","14.9599","0.0004","90","","90","","90","","2844.05","0.12","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 Pr S3 -","- C6 H18 As N4 Pr S3 -","- C48 H144 As8 N32 Pr8 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0338","0.0303","","","0.057","0.0596","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034380","19.648","0.004","9.625","0.003","14.947","0.003","90","","90","","90","","2826.7","1.2","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 Nd S3 -","- C6 H18 As N4 Nd S3 -","- C48 H144 As8 N32 Nd8 S24 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0194","0.0186","","","0.0399","0.0401","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034381","19.4659","0.0018","9.57","0.0009","14.7915","0.0014","90","","90","","90","","2755.5","0.4","296","2","296","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C6 H18 As N4 S3 Sm -","- C6 H18 As N4 S3 Sm -","- C48 H144 As8 N32 S24 Sm8 -","8","","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0225","0.0222","","","0.0538","0.054","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034382","8.3601","0.0002","11.2089","0.0003","19.8455","0.0005","90","","90","","90","","1859.67","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As La N6 S4 -","- C8 H26 As La N6 S4 -","- C32 H104 As4 La4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0324","0.0279","","","0.046","0.0477","","","","","","1.017","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034383","8.3413","0.0002","11.1822","0.0003","19.7987","0.0005","90","","90","","90","","1846.71","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As Ce N6 S4 -","- C8 H26 As Ce N6 S4 -","- C32 H104 As4 Ce4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0302","0.0277","","","0.0495","0.0509","","","","","","1.007","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034384","8.3354","0.0002","11.159","0.0002","19.7264","0.0004","90","","90","","90","","1834.85","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As N6 Pr S4 -","- C8 H26 As N6 Pr S4 -","- C32 H104 As4 N24 Pr4 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0319","0.029","","","0.0548","0.0573","","","","","","1.035","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034385","8.491","0.01","11.211","0.013","19.69","0.02","90","","90","","90","","1874","4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As N6 Nd S4 -","- C8 H26 As N6 Nd S4 -","- C32 H104 As4 N24 Nd4 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0207","0.02","","","0.0682","0.0688","","","","","","1.183","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034386","9.6438","0.0005","13.1563","0.0007","14.5845","0.0008","90","","97.436","0.001","90","","1834.87","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 As Dy N6 S4 -","- C8 H26 As Dy N6 S4 -","- C32 H104 As4 Dy4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.026","0.0215","","","0.0781","0.0844","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034387","9.5522","0.0014","13.0616","0.0018","14.483","0.002","90","","97.604","0.002","90","","1791.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 As Ho N6 S4 -","- C8 H26 As Ho N6 S4 -","- C32 H104 As4 Ho4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.029","0.0251","","","0.0617","0.0639","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034388","9.5588","0.0006","13.0353","0.0008","14.4749","0.0008","90","","97.609","0.001","90","","1787.72","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 As N6 S4 Tm -","- C8 H26 As N6 S4 Tm -","- C32 H104 As4 N24 S16 Tm4 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.022","0.0192","","","0.044","0.0458","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034389","7.5622","0.0006","24.529","0.002","20.9562","0.0019","90","","90.378","0.004","90","","3887.1","0.6","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H3 B F33 P -","- C42 H3 B F33 P -","- C168 H12 B4 F132 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0943","0.0697","","","0.1759","0.1922","","","","","","1.017","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034390","24.1133","0.001","10.8799","0.0004","16.1215","0.0007","90","","116.995","0.002","90","","3768.7","0.3","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H10 B F26 P -","- C42 H10 B F26 P -","- C168 H40 B4 F104 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0444","0.0361","","","0.0863","0.0908","","","","","","1.03","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034391","23.5578","0.0009","11.298","0.0004","15.6731","0.0005","90","","115.718","0.002","90","","3758.3","0.2","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H12 B F24 P -","- C42 H12 B F24 P -","- C168 H48 B4 F96 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0238","0.0222","","","0.0545","0.0555","","","","","","1.03","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034392","8.179","0.002","24.083","0.005","23.41","0.005","90","","95.637","0.008","90","","4588.9","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 B F21 P -","- C51 H33 B F21 P -","- C204 H132 B4 F84 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0618","0.0397","","","0.0916","0.1025","","","","","","1.025","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034393","11.0189","0.0008","11.9251","0.0009","15.5762","0.0011","68.914","0.004","69.688","0.004","73.804","0.004","1763","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H21 B F17 P -","- C39 H21 B F17 P -","- C78 H42 B2 F34 P2 -","2","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.1256","0.0878","","","0.2578","0.2831","","","","","","1.057","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034394","25.3349","0.0009","11.1331","0.0004","18.031","0.0011","90","","132.675","0.001","90","","3739.1","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H15 B F21 P -","- C42 H15 B F21 P -","- C168 H60 B4 F84 P4 -","4","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0735","0.0398","","","0.0628","0.0716","","","","","","0.998","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034395","11.1422","0.0006","12.0791","0.0007","12.574","0.0007","80.041","0.003","84.639","0.003","68.173","0.003","1546.53","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 B F17 P -","- C30 H27 B F17 P -","- C60 H54 B2 F34 P2 -","2","1","","Caputo, Christopher B.; Winkelhaus, Daniel; Dobrovetsky, Roman; Hounjet, Lindsay J.; Stephan, Douglas W.","Synthesis and Lewis acidity of fluorophosphonium cations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12256","12264","10.1039/c5dt00217f","","","0.71073","MoKα","","0.0957","0.0475","","","0.1079","0.1253","","","","","","1.042","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034396","45.366","0.009","7.2288","0.0014","11.607","0.002","90","","90","","90","","3806.4","1.2","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge S6 Sn -","- Ga2 Ge S6 Sn -","- Ga32 Ge16 S96 Sn16 -","16","1","","Lin, Zuohong; Li, Chao; Kang, Lei; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","SnGa2GeS6: synthesis, structure, linear and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7404","7410","10.1039/c5dt00186b","","","0.71073","MoKα","","0.048","0.0416","","","0.1014","0.1044","","","","","","1.133","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034397","9.6541","0.0005","10.0084","0.0005","16.5724","0.0008","101.464","0.002","106.588","0.002","90.666","0.002","1500.01","0.13","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl4 O P Sb -","- C28 H26 Cl4 O P Sb -","- C56 H52 Cl8 O2 P2 Sb2 -","2","1","","Brünig, Julian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","A tetranuclear arylstibonic acid with an adamantane type structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7105","7108","10.1039/c5dt00588d","","x-ray","0.71073","MoKα","","0.0237","0.0209","","","0.0551","0.0566","","","","","","1.098","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034398","21.2249","0.001","20.2061","0.0009","26.9813","0.0013","90","","108.733","0.001","90","","10958.5","0.9","173.01","","173.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H84 Cl8 O10 P4 Sb4 -","- C100 H84 Cl8 O10 P4 Sb4 -","- C400 H336 Cl32 O40 P16 Sb16 -","4","0.5","","Brünig, Julian; Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","A tetranuclear arylstibonic acid with an adamantane type structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7105","7108","10.1039/c5dt00588d","","x-ray","0.71073","MoKα","","0.1078","0.0631","","","0.1559","0.1698","","","","","","1.067","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034399","14.3466","0.0019","10.7143","0.0012","21.144","0.003","90","","100.195","0.004","90","","3198.8","0.7","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Fe N6 O2.5 -","- C33 H37 Fe N6 O2.5 -","- C132 H148 Fe4 N24 O10 -","4","2","","Wang, Qiang; Venneri, Shari; Zarrabi, Niloofar; Wang, Hongfeng; Desplanches, Cédric; Létard, Jean-François; Seda, Takele; Pilkington, Melanie","Stereochemistry for engineering spin crossover: structures and magnetic properties of a homochiral vs. racemic [Fe(N3O2)(CN)2] complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6711","6714","10.1039/c5dt00357a","","","0.71073","MoKα","","0.11","0.0761","","","0.1557","0.1758","","","","","","1.099","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7034400","14.131","0.0016","10.5819","0.001","20.876","0.002","90","","99.233","0.004","90","","3081.2","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Fe N6 O2.5 -","- C33 H37 Fe N6 O2.5 -","- C132 H148 Fe4 N24 O10 -","4","2","","Wang, Qiang; Venneri, Shari; Zarrabi, Niloofar; Wang, Hongfeng; Desplanches, Cédric; Létard, Jean-François; Seda, Takele; Pilkington, Melanie","Stereochemistry for engineering spin crossover: structures and magnetic properties of a homochiral vs. racemic [Fe(N3O2)(CN)2] complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6711","6714","10.1039/c5dt00357a","","","0.71073","MoKα","","0.1229","0.0686","","","0.155","0.196","","","","","","1.031","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7034401","12.18","0.003","16.92","0.004","12.171","0.003","90","","102.072","0.003","90","","2452.8","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl2 N2 O0 Ru -","- C27 H30 Cl2 N2 Ru -","- C108 H120 Cl8 N8 Ru4 -","4","1","","Lv, Gaochao; Guo, Liubin; Qiu, Ling; Yang, Hui; Wang, Tengfei; Liu, Hong; Lin, Jianguo","Lipophilicity-dependent ruthenium N-heterocyclic carbene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7324","7331","10.1039/c5dt00169b","","","0.71073","MoKα","","0.1105","0.0792","","","0.2029","0.2462","","","","","","1.08","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034402","11.259","0.007","34.41","0.018","23.606","0.014","90","","95.685","0.012","90","","9101","9","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C93 H96 Cl2 F12 Fe2 N6 O2 Os P6 -","- C93 H96 Cl2 F12 Fe2 N6 O2 Os P6 -","- C372 H384 Cl8 F48 Fe8 N24 O8 Os4 P24 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.1254","0.0989","","","0.1993","0.2151","","","","","","1.047","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034403","17.0424","0.001","20.314","0.0007","28.665","0.0015","90","","97.699","0.003","90","","9834.3","0.8","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H83 F24 Fe2 N9 O0 Os P8 -","- C90 H83 F24 Fe2 N9 Os P8 -","- C360 H332 F96 Fe8 N36 Os4 P32 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0586","0.0493","","","0.1213","0.1277","","","","","","1.068","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034404","28.108","0.011","20.092","0.008","33.297","0.014","90","","90","","90","","18804","13","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C92 H82 Cl8 F12 Fe2 N6 O0 Os P6 -","- C92 H82 Cl8 F12 Fe2 N6 Os P6 -","- C736 H656 Cl64 F96 Fe16 N48 Os8 P48 -","8","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.1418","0.1132","","","0.205","0.2239","","","","","","1.064","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034405","12.768","0.007","32.866","0.018","23.45","0.012","90","","114.2","0.02","90","","8976","8","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H74 F18 Fe2 N6 O0 Os P7 -","- C88 H74 F18 Fe2 N6 Os P7 -","- C352 H296 F72 Fe8 N24 Os4 P28 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.1139","0.0918","","","0.2208","0.2449","","","","","","1.1","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034406","17.461","0.003","22.961","0.004","23.66","0.004","90","","107.212","0.003","90","","9061","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H77 F24 Fe2 N7 O0 Os P8 -","- C90 H77 F24 Fe2 N7 Os P8 -","- C360 H308 F96 Fe8 N28 Os4 P32 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0779","0.0666","","","0.1469","0.1546","","","","","","1.089","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034407","11.294","0.005","33.956","0.014","25.136","0.01","90","","110.097","0.017","90","","9053","7","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H88 Cl4 F12 Fe3 N6 O P6 -","- C90 H88 Cl4 F12 Fe3 N6 O P6 -","- C360 H352 Cl16 F48 Fe12 N24 O4 P24 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.1488","0.1069","","","0.2104","0.2354","","","","","","1.012","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034408","17.0101","0.0005","20.1743","0.0004","28.6493","0.0009","90","","97.16","0.002","90","","9754.8","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H83 F24 Fe3 N9 O0 P8 -","- C90 H83 F24 Fe3 N9 P8 -","- C360 H332 F96 Fe12 N36 P32 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0685","0.0611","","","0.1666","0.1731","","","","","","1.041","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034409","28.122","0.007","19.966","0.005","33.171","0.008","90","","90","","90","","18625","8","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C92 H82 Cl8 F12 Fe3 N6 O0 P6 -","- C92 H82 Cl8 F12 Fe3 N6 P6 -","- C736 H656 Cl64 F96 Fe24 N48 P48 -","8","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0921","0.0782","","","0.2015","0.2177","","","","","","1.08","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034410","12.464","0.005","33.789","0.011","23.65","0.006","90","","113.419","0.015","90","","9140","5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H86 F18 Fe3 N8 O P7 -","- C94 H86 F18 Fe3 N8 O P7 -","- C376 H344 F72 Fe12 N32 O4 P28 -","4","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0926","0.0778","","","0.1988","0.2192","","","","","","1.083","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034411","11.6744","0.0002","13.4649","0.0003","14.0805","0.0002","73.3974","0.0011","67.3962","0.001","82.4596","0.0011","1957.6","0.06","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Cl2 Ir3 Mo2 N O8 -","- C38 H36 Cl2 Ir3 Mo2 N O8 -","- C76 H72 Cl4 Ir6 Mo4 N2 O16 -","2","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0403","0.0315","","","0.0663","0.0695","","","","","","1.042","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034412","9.9426","0.0002","10.4797","0.0002","22.5472","0.0004","77.4385","0.0011","89.2173","0.0009","73.4475","0.0011","2195.12","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Ir3 Mo2 O8 P -","- C46 H40 Ir3 Mo2 O8 P -","- C92 H80 Ir6 Mo4 O16 P2 -","2","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0372","0.0322","","","0.0837","0.0854","","","","","","1.079","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034413","9.889","0.002","10.453","0.002","22.59","0.005","77.38","0.03","88.45","0.03","73.38","0.03","2181.9","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Ir3 O8 P W2 -","- C46 H40 Ir3 O8 P W2 -","- C92 H80 Ir6 O16 P2 W4 -","2","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0657","0.0613","","","0.1696","0.1733","","","","","","1.068","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034414","17.343","0.004","13.899","0.003","17.04","0.003","90","","97.84","0.03","90","","4069.1","1.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Ir3 Mo2 O8 P -","- C45 H38 Ir3 Mo2 O8 P -","- C180 H152 Ir12 Mo8 O32 P4 -","4","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0487","0.0389","","","0.0941","0.0982","","","","","","1.046","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034415","10.7959","0.0001","14.6502","0.0002","28.721","0.0004","90","","90","","90","","4542.57","0.1","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 Cl3 Ir4 O9 P W -","- C43 H36 Cl3 Ir4 O9 P W -","- C172 H144 Cl12 Ir16 O36 P4 W4 -","4","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.046","0.0371","","","0.085","0.0892","","","","","","1.02","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034416","20.3569","0.0003","13.2942","0.0001","43.3524","0.0005","90","","90","","90","","11732.4","0.2","200","","200","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60.5 H53 Cl3 Ir4 Mo O8 P2 -","- C60.5 H53 Cl3 Ir4 Mo O8 P2 -","- C484 H424 Cl24 Ir32 Mo8 O64 P16 -","8","2","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0655","0.0434","","0.0964","0.08","0.0964","","","","","","0.9286","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034417","34.017","0.0002","35.8002","0.0003","12.7295","0.0001","90","","90","","90","","15502.2","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C52 H45 Ir3 Mo2 O4 -","- C52 H45 Ir3 Mo2 O4 -","- C624 H540 Ir36 Mo24 O48 -","12","1.5","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0434","0.032","","","0.0822","0.0862","","","","","","1.028","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034418","9.3085","0.0001","37.3217","0.0005","11.8641","0.0002","90","","109.067","0.0005","90","","3895.58","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl2 Ir4 Mo O8 -","- C38 H32 Cl2 Ir4 Mo O8 -","- C152 H128 Cl8 Ir16 Mo4 O32 -","4","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0633","0.0419","","","0.0878","0.0948","","","","","","1.158","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034419","28.567","0.0005","10.1105","0.0001","28.6713","0.0004","90","","105.268","0.0007","90","","7988.8","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 Ir4 O8 W -","- C38 H32 Cl2 Ir4 O8 W -","- C304 H256 Cl16 Ir32 O64 W8 -","8","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.0704","0.039","","","0.0798","0.0896","","","","","","1.036","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034420","9.6277","0.0019","14.429","0.003","17.748","0.004","79.44","0.03","75.44","0.03","90.36","0.03","2342.4","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 Ir4 O8 W -","- C45 H34 Ir4 O8 W -","- C90 H68 Ir8 O16 W2 -","2","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.1256","0.1067","","","0.2677","0.2788","","","","","","1.114","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034421","14.5366","0.001","18.2023","0.0012","8.0806","0.0006","90","","90","","90","","2138.1","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H18 Cl2 N4 O5 Zn -","- C21 H18 Cl2 N4 O5 Zn -","- C84 H72 Cl8 N16 O20 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.1105","0.0758","","","0.1744","0.1961","","","","","","1.02","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034422","21.205","0.002","30.853","0.002","19.6747","0.0016","90","","100.033","0.008","90","","12675.1","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 N8 O48 P W12 Zn -","- C42 H32 N8 O48 P W12 Zn -","- C168 H128 N32 O192 P4 W48 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.1544","0.0848","","","0.2025","0.222","","","","","","1.106","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034423","21.826","0.018","30.504","0.016","19.495","0.011","90","","100.29","0.03","90","","12771","14","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 N8 O48 Si W12 Zn -","- C42 H32 N8 O48 Si W12 Zn -","- C168 H128 N32 O192 Si4 W48 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.1635","0.0939","","","0.2163","0.2386","","","","","","1.187","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034424","20.949","0.012","31.1225","0.0014","19.7567","0.0014","90","","99.761","0.015","90","","12695","7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 B N8 O48 W12 Zn -","- C42 H32 B N8 O48 W12 Zn -","- C168 H128 B4 N32 O192 W48 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.1548","0.0843","","","0.1835","0.2027","","","","","","1.042","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034425","21.018","0.004","30.814","0.005","19.639","0.003","90","","99.919","0.015","90","","12529","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Co N8 O48 W12 Zn -","- C42 H32 Co N8 O48 W12 Zn -","- C168 H128 Co4 N32 O192 W48 Zn4 -","4","0.5","","Ou, Sha; Zheng, Jun-Ping; Kong, Guo-Qiang; Wu, Chuan-De","Designed synthesis of a series of zwitterion-polyoxometalate hybrid materials for selective scavenging and photolysis of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7862","7869","10.1039/c5dt00577a","","","0.71073","MoKα","","0.185","0.0881","","","0.1826","0.2092","","","","","","1.012","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034426","8.9234","0.0011","15.103","0.002","12.9733","0.0017","90","","105.342","0.003","90","","1686.1","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 B F18 O3 -","- C9 H3 B F18 O3 -","- C36 H12 B4 F72 O12 -","4","1","","Böhrer, Hannes; Trapp, Nils; Himmel, Daniel; Schleep, Mario; Krossing, Ingo","From unsuccessful H2-activation with FLPs containing B(Ohfip)3 to a systematic evaluation of the Lewis acidity of 33 Lewis acids based on fluoride, chloride, hydride and methyl ion affinities.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7489","7499","10.1039/c4dt02822h","","","0.71073","MoKα","","0.0979","0.0425","","","0.0808","0.0997","","","","","","1.021","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034427","13.079","0.002","13.079","0.002","18.57","0.002","90","","90","","120","","2751","0.7","110","2","110","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C11 H4 B F18 N O3 -","- C11 H3.9999 B F18 N O3 -","- C66 H23.9994 B6 F108 N6 O18 -","6","0.333333","","Böhrer, Hannes; Trapp, Nils; Himmel, Daniel; Schleep, Mario; Krossing, Ingo","From unsuccessful H2-activation with FLPs containing B(Ohfip)3 to a systematic evaluation of the Lewis acidity of 33 Lewis acids based on fluoride, chloride, hydride and methyl ion affinities.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7489","7499","10.1039/c4dt02822h","","","0.71073","MoKα","","0.0262","0.0246","","","0.0596","0.0607","","","","","","1.083","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034428","12.5404","0.0003","17.0035","0.0004","15.9352","0.0004","90","","106.631","0.0012","90","","3255.74","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","h13msh17","","- C20 H58 B4 K2 N4 O3 -","- C20 H58 B4 K2 N4 O3 -","- C80 H232 B16 K8 N16 O12 -","4","1","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Alkali metal-mediated dehydrocoupling of Me2NH·BH3.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12078","12081","10.1039/c5dt00178a","","","0.71073","MoKα","","0.0699","0.0424","","","0.0962","0.1096","","","","","","1.039","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034429","8.2008","0.0002","8.2008","0.0002","13.8667","0.0006","90","","90","","120","","807.64","0.04","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.001 Mg0.998 N1.0002 O12 -","- C16 H28.0032 Fe2.002 Mg1.996 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0337","0.0271","","","0.0859","0.0887","","","","","","0.95","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034430","8.2067","0.0002","8.2067","0.0002","13.8818","0.0006","90","","90","","120","","809.68","0.04","190","2","190","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.002 Mg0.998 N1.0002 O12 -","- C16 H28.0032 Fe2.004 Mg1.996 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0303","0.024","","","0.0649","0.0677","","","","","","1.025","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034431","8.2076","0.0002","8.2076","0.0002","13.8988","0.0006","90","","90","","120","","810.85","0.04","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe Mg N O12 -","- C8 H14.0016 Fe1.002 Mg0.997 N1.0002 O12 -","- C16 H28.0032 Fe2.004 Mg1.994 N2.0004 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam; Ptak, Maciej","Temperature-dependent studies of [(CH3)2NH2][Fe(III)M(II)(HCOO)6] frameworks (M(II) = Fe and Mg): structural, magnetic, dielectric and phonon properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8846","8854","10.1039/c5dt00512d","","","0.71073","MoKα","","0.0314","0.0236","","","0.0604","0.0618","","","","","","1.19","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034432","13.2499","0.0002","10.5536","0.0001","8.9126","0.0001","90","","90","","90","","1246.29","0.03","123","2","123","2","","","","","","","","5","C m c m","-C 2c 2","63","pentaammine dioxido uranium dibromide ammoniate","pentaammine dioxido uranium(VI) dibromide ammoniate (1/1)","","- Br2 H18 N6 O2 U -","- Br2 H12 N6 O2 U -","- Br8 H48 N24 O8 U4 -","4","0.25","","Woidy, Patrick; Bühl, Michael; Kraus, Florian","[UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7332","7337","10.1039/c5dt00180c","","","0.71073","MoKα","","0.0255","0.0227","","","0.0588","0.0595","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034433","17.0474","0.0006","13.3497","0.0004","49.6003","0.0015","90","","91.859","0.003","90","","11282","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C552 H360 B24 F48 N48 -","24","3","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enyne substituted BODIPYs: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15803","15812","10.1039/c5dt00565e","","","0.71073","MoKα","","0.0984","0.0626","","","0.1305","0.1526","","","","","","1.04","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7034434","9.3787","0.0005","9.6798","0.0008","14.6648","0.0008","97.43","0.005","90.537","0.004","107.816","0.006","1255.15","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 B F2 N2 -","- C33 H21 B F2 N2 -","- C66 H42 B2 F4 N4 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enyne substituted BODIPYs: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15803","15812","10.1039/c5dt00565e","","","0.71073","MoKα","","0.0938","0.05","","","0.1044","0.1259","","","","","","1.044","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034435","9.018","0.0003","9.785","0.0004","17.3902","0.0007","75.968","0.004","86.559","0.003","70.319","0.004","1401.38","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 B F2 Fe N2 -","- C35 H25 B F2 Fe N2 -","- C70 H50 B2 F4 Fe2 N4 -","2","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enyne substituted BODIPYs: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15803","15812","10.1039/c5dt00565e","","","0.71073","MoKα","","0.038","0.0347","","","0.0911","0.0942","","","","","","1.08","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034436","8.9615","0.0003","10.2059","0.0002","15.7879","0.0004","90","","105.796","0.003","90","","1389.44","0.07","293","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 B F2 N2 -","- C17 H11 B F2 N2 -","- C68 H44 B4 F8 N8 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enyne substituted BODIPYs: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15803","15812","10.1039/c5dt00565e","","","1.5418","CuKα","","0.0377","0.0363","","","0.0956","0.0968","","","","","","1.075","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034437","10.4902","0.0003","17.8054","0.0004","32.1772","0.0007","85.9683","0.001","84.8475","0.001","88.9623","0.0009","5970.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","tris-NHSn 2a","","- C148 H135 N6 Sn3 -","- C148 H135 N6 Sn3 -","- C296 H270 N12 Sn6 -","2","1","","Hsu, Chen-Yuan; Chan, Li-Wei; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Triphenylene-based tris-N-heterocyclic stannylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15095","15098","10.1039/c5dt00694e","","","0.71073","MoKα","","0.1085","0.0623","","","0.1744","0.2059","","","","","","1.019","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034438","24.87","0.003","16.8713","0.0018","18.708","0.002","90","","120.784","0.001","90","","6743.7","1.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cu2 F12 N4 O2 P2 -","- C20 H50 Cu2 F12 N4 O2 P2 -","- C160 H400 Cu16 F96 N32 O16 P16 -","8","1","","Askari, M. S.; Rodríguez-Solano, L A; Proppe, A.; McAllister, B.; Lumb, J.-P.; Ottenwaelder, X.","Catalytic aerobic oxidation of phenols to ortho-quinones with air-stable copper precatalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12094","12097","10.1039/c5dt00822k","","","0.71073","MoKα","","0.1043","0.0633","","","0.1417","0.1659","","","","","","1.115","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034439","15.876","0.004","11.938","0.003","12.088","0.006","90","","129.534","0.003","90","","1766.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Cu N2 O4 -","- C14 H30 Cu N2 O4 -","- C56 H120 Cu4 N8 O16 -","4","0.5","","Askari, M. S.; Rodríguez-Solano, L A; Proppe, A.; McAllister, B.; Lumb, J.-P.; Ottenwaelder, X.","Catalytic aerobic oxidation of phenols to ortho-quinones with air-stable copper precatalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12094","12097","10.1039/c5dt00822k","","","0.71073","MoKα","","0.0262","0.0235","","","0.0649","0.0666","","","","","","1.103","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034440","9.6421","0.0003","19.6933","0.0005","19.7231","0.0005","90","","90","","90","","3745.12","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br Cu N2 -","- C20 H24 Br Cu N2 -","- C160 H192 Br8 Cu8 N16 -","8","1","","Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas","Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6944","6960","10.1039/c4dt03706e","","","0.71073","MoKα","","0.0459","0.0309","","","0.0606","0.0652","","","","","","1.031","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034441","8.5167","0.0003","12.2692","0.0003","20.6552","0.0005","90","","94.754","0.003","90","","2150.9","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cu2 N4 -","- C22 H24 Cu2 N4 -","- C88 H96 Cu8 N16 -","4","1","","Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas","Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6944","6960","10.1039/c4dt03706e","","","0.71073","MoKα","","0.0444","0.0305","","","0.0631","0.0684","","","","","","1.045","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034442","20.4147","0.0004","9.7229","0.0002","19.5841","0.0003","90","","90","","90","","3887.25","0.13","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cu I N2 -","- C20 H24 Cu I N2 -","- C160 H192 Cu8 I8 N16 -","8","2","","Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas","Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6944","6960","10.1039/c4dt03706e","","","0.71073","MoKα","","0.0616","0.0554","","","0.1252","0.1319","","","","","","1.09","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034443","14.0528","0.0006","17.8524","0.0007","11.238","0.0005","90","","102.949","0.005","90","","2747.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl N10 O Zn2 -","- C28 H20 Cl N10 O Zn2 -","- C112 H80 Cl4 N40 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.091","0.0518","","","0.109","0.1287","","","","","","1.009","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034444","7.4598","0.0005","22.775","0.002","16.5096","0.0016","90","","103.131","0.008","90","","2731.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N13 O Zn2 -","- C28 H21 N13 O Zn2 -","- C112 H84 N52 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.0826","0.0485","","","0.0829","0.0978","","","","","","1.061","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034445","7.5793","0.0008","25.862","0.003","9.1467","0.0009","90","","106.616","0.01","90","","1718","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br N5 O2 Zn2 -","- C14 H12 Br N5 O2 Zn2 -","- C56 H48 Br4 N20 O8 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.1432","0.0936","","","0.1796","0.2047","","","","","","1.127","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034446","14.3305","0.0006","17.6788","0.0009","11.4366","0.0005","90","","104.903","0.005","90","","2800","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Br N10 O Zn2 -","- C28 H20 Br N10 O Zn2 -","- C112 H80 Br4 N40 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.1058","0.0563","","","0.1148","0.1388","","","","","","1.038","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034447","11.1101","0.0008","17.9059","0.0013","14.2992","0.001","90","","102.828","0.001","90","","2773.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H21 Cl N10 O Zn2 -","- C28 H21 Cl N10 O Zn2 -","- C112 H84 Cl4 N40 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.0589","0.0474","","","0.1124","0.1182","","","","","","1.051","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034448","7.5065","0.0004","23.1877","0.0013","16.3361","0.0009","90","","102.283","0.001","90","","2778.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N13 O Zn2 -","- C28 H21 N13 O Zn2 -","- C112 H84 N52 O4 Zn8 -","4","1","","Shu, Yu-Bo; Tu, Na; Shi, Hua-Tian; Yin, Ye-Gao; Liu, Wei-Sheng","Photodimerization behaviour of 1D-3D Zn(ii) coordination polymers with tetrazolyl styrylpyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7131","7134","10.1039/c5dt00614g","","","0.71073","MoKα","","0.033","0.0281","","","0.0743","0.0776","","","","","","1.043","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034449","7.6403","0.001","9.1602","0.0012","23.401","0.003","90","","108.8","0.004","90","","1550.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F6 P Ru -","- C15 H19 F6 P Ru -","- C60 H76 F24 P4 Ru4 -","4","1","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0305","0.0281","","","0.0634","0.0649","","","","","","1.139","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034450","12.742","0.004","9.035","0.003","13.613","0.004","90","","90","","90","","1567.2","0.9","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H15 F6 O2 P Ru -","- C13 H15 F6 O2 P Ru -","- C52 H60 F24 O8 P4 Ru4 -","4","0.5","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.033","0.0307","","","0.0786","0.0803","","","","","","1.083","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034451","18.367","0.004","8.8317","0.0018","25.123","0.004","90","","133.146","0.01","90","","2973.4","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F6 O2 P Ru -","- C13 H15 F6 O2 P Ru -","- C104 H120 F48 O16 P8 Ru8 -","8","2","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0292","0.0286","","","0.0741","0.0752","","","","","","1.079","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034452","20.886","0.003","10.4222","0.0013","15.2449","0.0019","90","","90","","90","","3318.5","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H17 F6 O P Ru -","- C15 H17 F6 O P Ru -","- C120 H136 F48 O8 P8 Ru8 -","8","2","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0411","0.0389","","","0.1086","0.1111","","","","","","1.042","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034453","7.2737","0.0014","10.0402","0.0019","12.517","0.002","76.748","0.002","85.737","0.002","71.907","0.002","845.8","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H16 F6 N O P Ru -","- C15 H16 F6.004 N O P Ru -","- C30 H32 F12.008 N2 O2 P2 Ru2 -","2","1","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0183","0.0179","","","0.0478","0.0481","","","","","","1.068","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034454","10.573","0.003","14.685","0.004","14.804","0.003","90","","128.135","0.012","90","","1807.9","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F6 O3 P Ru -","- C16 H21 F6 O3 P Ru -","- C64 H84 F24 O12 P4 Ru4 -","4","1","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.044","0.0421","","","0.111","0.1128","","","","","","1.069","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034455","9.871","0.002","19.268","0.005","20.87","0.005","90","","96.111","0.004","90","","3946.8","1.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F6 N O P Ru -","- C18 H22 F6 N O P Ru -","- C144 H176 F48 N8 O8 P8 Ru8 -","8","1","","Komurasaki, Aina; Funasako, Yusuke; Mochida, Tomoyuki","Colorless organometallic ionic liquids from cationic ruthenium sandwich complexes: thermal properties, liquid properties, and crystal structures of [Ru(η(5)-C5H5)(η(6)-C6H5R)][X] (X = N(SO2CF3)2, N(SO2F)2, PF6).","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7595","7605","10.1039/c5dt00723b","","","0.71073","MoKα","","0.0594","0.0414","","","0.093","0.1003","","","","","","1.015","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034456","40.88","0.004","18.1318","0.0016","18.7843","0.0016","90","","102.654","0.005","90","","13585","2","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H59 B2 F8 N5 Ni P4 -","- C66 H59 B2 F8 N5 Ni P4 -","- C528 H472 B16 F64 N40 Ni8 P32 -","8","1","","Das, Atanu K.; Engelhard, Mark H.; Lense, Sheri; Roberts, John A. S.; Bullock, R. Morris","Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12225","12233","10.1039/c5dt00162e","","","0.71073","MoKα","","0.1677","0.0759","","","0.1789","0.2096","","","","","","0.907","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7034457","31.345","0.014","9.706","0.005","25.551","0.012","90","","113.998","0.014","90","","7102","6","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{Mg[O2NN]BuMe}2","","- C56 H84 Mg2 N4 O4 -","- C56 H84 Mg2 N4 O4 -","- C224 H336 Mg8 N16 O16 -","4","0.5","","Devaine-Pressing, Katalin; Lehr, Joshua H.; Pratt, Michelle E.; Dawe, Louise N.; Sarjeant, Amy A.; Kozak, Christopher M.","Magnesium amino-bis(phenolato) complexes for the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12365","12375","10.1039/c5dt00236b","","","0.71073","MoKα","","0.1222","0.0784","","","0.2128","0.2416","","","","","","0.985","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034458","17.4058","0.0004","17.4058","0.0004","21.4947","0.0006","90","","90","","120","","5639.6","0.2","100","","100","","","","","","","","","7","R -3","-R 3","148","","","","- C12.55 H31.38 Al F12 Li3 O15.14 P6 -","- C12.552 H31.38 Al F12 Li3 O15.138 P6 -","- C75.312 H188.28 Al6 F72 Li18 O90.828 P36 -","6","","","Schulz, Christoph; Eiden, Philipp; Klose, Petra; Ermantraut, Andreas; Schmidt, Michael; Garsuch, Arnd; Krossing, Ingo","Homoleptic borates and aluminates containing the difluorophosphato ligand - [M(O2PF2)x](y-) - synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7048","7057","10.1039/c5dt00469a","","x-ray","0.71073","MoKα","","0.0467","0.0337","","","0.0824","0.0883","","","","","","1.074","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034459","7.9074","0.0002","14.0602","0.0004","13.7851","0.0003","90","","121.913","0.001","90","","1300.97","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B F8 Li O8 P4 -","- B F8 Li O8 P4 -","- B4 F32 Li4 O32 P16 -","4","1","","Schulz, Christoph; Eiden, Philipp; Klose, Petra; Ermantraut, Andreas; Schmidt, Michael; Garsuch, Arnd; Krossing, Ingo","Homoleptic borates and aluminates containing the difluorophosphato ligand - [M(O2PF2)x](y-) - synthesis and characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7048","7057","10.1039/c5dt00469a","","","0.71073","MoKα","","0.032","0.0284","","","0.0772","0.0793","","","","","","1.037","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034460","6.3282","0.0006","16.982","0.0017","10.187","0.001","90","","94.132","0.002","90","","1091.91","0.18","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TMC dioxoruthenium(VI) perchlorate","","","- C14 Cl2 N4 O10 Ru -","- C14 Cl2 N4 O10 Ru -","- C28 Cl4 N8 O20 Ru2 -","2","0.5","","Dhuri, Sunder N.; Lee, Yong-Min; Seo, Mi Sook; Cho, Jaeheung; Narulkar, Dattaprasad D.; Fukuzumi, Shunichi; Nam, Wonwoo","Mechanistic insights into the reactions of hydride transfer versus hydrogen atom transfer by a trans-dioxoruthenium(vi) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7634","7642","10.1039/c5dt00809c","","","0.71073","MoKα","","0.065","0.0543","","","0.1534","0.1574","","","","","","1.1","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034461","26.8319","0.0006","9.6267","0.0003","36.08","0.0009","90","","108.157","0.001","90","","8855.5","0.4","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H27 Cl F Ir N6 -","- C41 H27 Cl F Ir N6 -","- C328 H216 Cl8 F8 Ir8 N48 -","8","2","","Jin, Chengzhi; Liu, Jiangping; Chen, Yu; Li, Guanying; Guan, Ruilin; Zhang, Pingyu; Ji, Liangnian; Chao, Hui","Cyclometalated iridium(iii) complexes with imidazo[4,5-f][1,10]phenanthroline derivatives for mitochondrial imaging in living cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7538","7547","10.1039/c5dt00467e","","","0.71073","MoKα","","0.0679","0.0533","","","0.1462","0.1582","","","","","","1.056","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034462","18.9473","0.0008","13.9306","0.0006","28.662","0.002","90","","96.968","0.007","90","","7509.4","0.7","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","[{t-BuC6H4)3CCONH}2C6H3COOH]-3(AcOEt)","","- C83 H108 N2 O10 -","- C83 H108 N2 O10 -","- C332 H432 N8 O40 -","4","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.0891","0.077","","","0.2036","0.2156","","","","","","1.029","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034463","11.5622","0.0009","11.6068","0.0008","19.7688","0.0014","92.302","0.006","105.78","0.007","100.231","0.007","2501.4","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","(NMe4)[OCOC6H3{NHCOC(C6H4-t-Bu)3}(NHCO-n-Bu)]-2(H2O)-dioxane","","- C52 H77 N3 O8 -","- C52 H73 N3 O8 -","- C104 H146 N6 O16 -","2","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.1177","0.0741","","","0.1812","0.2071","","","","","","1.019","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034464","11.7369","0.0014","12.6605","0.0017","12.8455","0.0017","73.348","0.005","71.463","0.005","83.617","0.006","1733.4","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H49 N O4 -","- C41 H49 N O4 -","- C82 H98 N2 O8 -","2","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.1258","0.0649","","","0.1394","0.1634","","","","","","1.033","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034465","18.0688","0.0018","11.3006","0.0012","50.441","0.005","90","","108.006","0.006","90","","9795","1.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}4Ca2(H2O)5(dioxane)]-4(dioxane)-4(H2O)","","- C196 H270 Ca2 N8 O35 -","- C196 H252 Ca2 N8 O35 -","- C392 H504 Ca4 N16 O70 -","2","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.3361","0.1481","","","0.361","0.4705","","","","","","1.063","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034466","28.1365","0.001","11.8861","0.0004","31.198","0.002","90","","102.064","0.007","90","","10203.2","0.9","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}2Mg(EtOH)4]-4(EtOH)","","- C104 H154 Mg N4 O16 -","- C104 H154 Mg N4 O16 -","- C416 H616 Mg4 N16 O64 -","4","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.1081","0.0756","","","0.1942","0.2164","","","","","","1.021","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034467","14.5903","0.0005","27.0129","0.0009","25.7904","0.0017","90","","112.681","0.007","90","","9378.6","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{(t-BuC6H4)3CCONHC6H4COO}2Mg(EtOH)4]-5(EtOH)","","- C96 H142 Mg N2 O15 -","- C96 H140 Mg N2 O15 -","- C384 H560 Mg4 N8 O60 -","4","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NHO hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7512","7523","10.1039/c5dt00053j","","","0.71075","MoKα","","0.1268","0.0852","","","0.2156","0.2429","","","","","","1.015","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034468","28.803","0.0007","5.3703","0.0001","28.8969","0.001","90","","119.723","0.002","90","","3881.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HFDNTz","5-(fluorodinitromethyl)-2H-tetrazole","","- C2 H F N6 O4 -","- C2 H F N6 O4 -","- C48 H24 F24 N144 O96 -","24","3","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.076","0.0414","","","0.083","0.094","","","","","","1.035","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034469","7.5138","0.0006","8.1663","0.0006","19.9151","0.0014","90","","90","","90","","1221.99","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NaDinitrocyanomethide","sodium dinitrocyanomethide","","- C2 H2 N3 Na O5 -","- C2 H2 N3 Na O5 -","- C16 H16 N24 Na8 O40 -","8","2","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.0274","0.0253","","","0.0651","0.0661","","","","","","1.06","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034470","11.8077","0.0014","7.1276","0.0008","14.7721","0.0018","90","","95.585","0.002","90","","1237.3","0.3","101","2","101","2","","","","","","","","6","P 1 21 1","P 2yb","4","[TPP][FDNTz]","","","- C26 H20 F N6 O4 P -","- C26 H20 F N6 O4 P -","- C52 H40 F2 N12 O8 P2 -","2","1","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.066","0.0435","","","0.0916","0.1005","","","","","","1.023","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034471","3.6434","0.0004","13.7827","0.0013","10.6457","0.001","90","","98.23","0.002","90","","529.08","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[N2H5][(NO2)2CN]","hydrazinium dinitrocyanomethide","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C4 H24 N16 O16 -","4","1","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.0285","0.0255","","","0.0746","0.0769","","","","","","1.087","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034472","11.6601","0.0008","14.26","0.0009","13.4402","0.0009","90","","90.099","0.001","90","","2234.7","0.3","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[PPh4][FDNTz]","","","- C26 H20 N3 O4 P -","- C26 H20 N3 O4 P -","- C104 H80 N12 O16 P4 -","4","1","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.0476","0.0359","","","0.0922","0.0988","","","","","","1.035","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034473","13.9642","0.0007","8.9672","0.0005","13.9957","0.0007","90","","115.472","0.0001","90","","1582.19","0.14","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NH4FDNTz","","","- C2 H4 F N7 O4 -","- C2 H4 F N7 O4 -","- C16 H32 F8 N56 O32 -","8","2","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.0441","0.0329","","","0.0786","0.0845","","","","","","1.026","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034474","15.427","0.001","15.4526","0.001","20.5225","0.0013","82.727","0.001","88.156","0.001","82.669","0.001","4812.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag12 F12 N78 O48 -","- C24 H18 Ag12 F12 N78 O48 -","- C48 H36 Ag24 F24 N156 O96 -","2","1","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.1174","0.0584","","","0.0977","0.1106","","","","","","0.992","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034475","13.53","0.005","14.255","0.005","19.655","0.005","73.034","0.005","74.572","0.005","62.256","0.005","3170.9","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64.5 Cd3 N6.5 O16.5 -","- C60 H64.5 Cd3 N6.5 O16.5 -","- C120 H129 Cd6 N13 O33 -","2","1","","Hu, Xiao-Li; Liu, Fu-Hong; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A 2D bilayered metal-organic framework as a fluorescent sensor for highly selective sensing of nitro explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7822","7827","10.1039/c5dt00515a","","","0.71069","MoKα","","0.0826","0.0534","","","0.1386","0.1574","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034476","39.11","0.003","4.3763","0.0003","7.3452","0.0006","90","","90","","90","","1257.18","0.17","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- Ba5 In4 S7 Te4 -","- Ba5 In4 S7 Te4 -","- Ba10 In8 S14 Te8 -","2","0.25","","Tan, De-Ming; Lin, Chen-Sheng; Luo, Zhong-Zhen; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen; Cheng, Wen-Dan","Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba5In4Te4S7.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7673","7678","10.1039/c5dt00228a","","","0.71073","MoKα","","0.019","0.0182","","","0.0442","0.0445","","","","","","1.096","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034477","6.6118","0.0006","12.4325","0.0011","8.8075","0.0007","90","","107.723","0.003","90","","689.63","0.1","296","2","296","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","[hdma]1.5(Fe5F7OwCOO)(Amtetraz)4)","","- C8 H23 F7 Fe5 N21.5 O3 -","- C8 H8 F7 Fe5 N21.5 O3 -","- C8 H8 F7 Fe5 N21.5 O3 -","1","0.25","","Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent","New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7951","7959","10.1039/c5dt00281h","","","0.71073","MoKα","","0.0633","0.0389","","","0.1027","0.113","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034478","6.6687","0.0007","12.245","0.001","9.0305","0.0009","90","","110.439","0.006","90","","690.99","0.12","150","2","150","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","[hdma](Fe5F8Ow2(amtetraz)4)","","- C6 H20 F8 Fe5 N21 O2 -","- C6 H8 F8 Fe5 N21 O2 -","- C6 H8 F8 Fe5 N21 O2 -","1","0.25","","Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent","New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7951","7959","10.1039/c5dt00281h","","","0.71073","MoKα","","0.1502","0.0852","","","0.2212","0.2614","","","","","","1.06","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034479","68.8713","0.0017","13.5987","0.0004","22.03","0.0006","90","","100.563","0.001","90","","20282.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl2 Fe2 O6 P2 S2 -","- C32 H26 Cl2 Fe2 O6 P2 S2 -","- C768 H624 Cl48 Fe48 O144 P48 S48 -","24","3","","Almazahreh, Laith R.; Imhof, Wolfgang; Talarmin, Jean; Schollhammer, Philippe; Görls, Helmar; El-Khateeb, Mohammad; Weigand, Wolfgang","Ligand effects on the electrochemical behavior of [Fe2(CO)5(L){μ-(SCH2)2(Ph)P[double bond, length as m-dash]O}] (L = PPh3, P(OEt)3) hydrogenase model complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7177","7189","10.1039/c5dt00064e","","","0.71073","MoKα","","0.1202","0.099","","","0.2294","0.2429","","","","","","1.143","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034480","7.6319","0.0005","11.2407","0.0007","16.2017","0.0011","86.524","0.004","83.504","0.003","70.792","0.003","1303.7","0.15","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Fe2 O9 P2 S2 -","- C19 H24 Fe2 O9 P2 S2 -","- C38 H48 Fe4 O18 P4 S4 -","2","1","","Almazahreh, Laith R.; Imhof, Wolfgang; Talarmin, Jean; Schollhammer, Philippe; Görls, Helmar; El-Khateeb, Mohammad; Weigand, Wolfgang","Ligand effects on the electrochemical behavior of [Fe2(CO)5(L){μ-(SCH2)2(Ph)P[double bond, length as m-dash]O}] (L = PPh3, P(OEt)3) hydrogenase model complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7177","7189","10.1039/c5dt00064e","","","0.71073","MoKα","","0.0809","0.0696","","","0.1731","0.1857","","","","","","1.076","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034481","11.9604","0.0009","11.9604","0.0009","29.871","0.004","90","","90","","90","","4273.1","0.7","296","2","296","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","0.5","","Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng","Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8041","8048","10.1039/c5dt00449g","","","0.71073","MoKα","","0.097","0.064","","","0.1813","0.2162","","","","","","1.025","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034482","15.4795","0.0007","15.778","0.0007","16.7889","0.0008","102.259","0.004","111.596","0.004","107.951","0.004","3372.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H66.5 B2 F8 N7.5 O6 Zn -","- C71 H66.5 B2 F8 N7.5 O6 Zn -","- C142 H133 B4 F16 N15 O12 Zn2 -","2","1","","Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng","Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8041","8048","10.1039/c5dt00449g","","","0.71073","MoKα","","0.1191","0.0901","","","0.2532","0.279","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034483","12.1579","0.0009","14.2028","0.0015","15.1132","0.0016","89.697","0.009","82.362","0.008","71.041","0.008","2444.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H52 B2 F8 N8 O5 Zn -","- C51 H52 B2 F8 N8 O5 Zn -","- C102 H104 B4 F16 N16 O10 Zn2 -","2","1","","Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng","Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8041","8048","10.1039/c5dt00449g","","","0.71073","MoKα","","0.113","0.0764","","","0.1714","0.1984","","","","","","1.047","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034484","21.569","0.002","11.9264","0.0013","11.1252","0.0009","90","","100.59","0.01","90","","2813.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N3 O3 -","- C34 H31 N3 O3 -","- C136 H124 N12 O12 -","4","1","","Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng","Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8041","8048","10.1039/c5dt00449g","","","0.71073","MoKα","","0.2115","0.122","","","0.3143","0.3825","","","","","","1.033","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034485","15.772","0.002","9.171","0.0014","9.605","0.0014","90","","90","","90","","1389.3","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","[Fe(H2bpta)]n","","- C16 H8 Fe O8 -","- C16 H8 Fe O8 -","- C64 H32 Fe4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.71075","MoKα","","0.0509","0.0384","","","0.0929","0.0983","","","","","","1.097","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034486","15.68","0.003","9.149","0.0018","9.415","0.0019","90","","90","","90","","1350.6","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 2","","","- C16 H8 Ni O8 -","- C16 H8 Ni O8 -","- C64 H32 Ni4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0343","0.0297","","","0.0763","0.0778","","","","","","1.278","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034487","16.16","0.003","9.455","0.0019","8.984","0.0018","90","","90","","90","","1372.7","0.5","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 3","","","- C16 H8 Cu O8 -","- C16 H8 Cu O8 -","- C64 H32 Cu4 O32 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0424","0.0362","","","0.1014","0.1054","","","","","","1.104","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034488","15.147","0.003","8.834","0.0018","9.062","0.0018","90","","90","","90","","1212.6","0.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","compound 4","","","- C16 H8 O8 Zn -","- C16 H8 O8 Zn -","- C64 H32 O32 Zn4 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui","Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7213","7222","10.1039/c5dt00412h","","","0.72","synchrotron","","0.0704","0.0678","","","0.1689","0.1709","","","","","","1.116","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034489","39.847","0.003","13.2542","0.0011","18.3527","0.0014","90","","102.573","0.001","90","","9460.4","1.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MnN3O2-Mn(CN)6","","","- C36 H52 Cl Mn3 N12 O13 -","- C36 H52 Cl Mn3 N12 O13 -","- C288 H416 Cl8 Mn24 N96 O104 -","8","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new cyano-bridged complexes based on the [Mn(CN)6](3-) building block.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15189","15197","10.1039/c5dt00038f","","","0.71073","MoKα","","0.0522","0.0398","","","0.1177","0.1244","","","","","","1.037","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034490","11.418","0.002","16.938","0.003","20.679","0.004","97.553","0.003","94.078","0.003","106.831","0.003","3769.5","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","MnN5-Mn(CN)6","","","- C57 H69 Mn5 N27 -","- C57 H69 Mn5 N27 -","- C114 H138 Mn10 N54 -","2","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new cyano-bridged complexes based on the [Mn(CN)6](3-) building block.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15189","15197","10.1039/c5dt00038f","","","0.71073","MoKα","","0.1429","0.0885","","","0.233","0.2549","","","","","","1.052","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034491","11.467","0.006","17.402","0.01","20.493","0.011","100.383","0.008","90.651","0.008","108.525","0.008","3804","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","MnN5Me-Mn(CN)6","","","- C57 H95 Mn5 N27 O10 -","- C57 H77 Mn5 N27 O10 -","- C114 H154 Mn10 N54 O20 -","2","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new cyano-bridged complexes based on the [Mn(CN)6](3-) building block.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15189","15197","10.1039/c5dt00038f","","","0.71073","MoKα","","0.191","0.0842","","","0.1775","0.2079","","","","","","1.048","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034492","12.5087","0.0011","32.165","0.002","7.6022","0.0005","90","","98.833","0.007","90","","3022.4","0.4","156","5","156","5","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd2 Cl2 Dy N6 O16 -","- C20 H25 Cd2 Cl2 Dy N6 O16 -","- C80 H100 Cd8 Cl8 Dy4 N24 O64 -","4","1","","Zhang, Xue-Jing; Liu, Ke; Bing, Yan-Min; Xu, Na; Shi, Wei; Cheng, Peng","An unusual three-dimensional Dy-Cd2 framework exhibiting single-ion magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7757","7760","10.1039/c5dt00721f","","","0.71073","MoKα","","0.0235","0.0231","","","0.0606","0.061","","","","","","1.087","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034493","12.5247","0.0005","32.2184","0.0016","7.6101","0.0005","90","","98.856","0.004","90","","3034.3","0.3","130.65","0.1","130.65","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd2 Cl2 N6 O16 Tb -","- C20 H25 Cd2 Cl2 N6 O16 Tb -","- C80 H100 Cd8 Cl8 N24 O64 Tb4 -","4","1","","Zhang, Xue-Jing; Liu, Ke; Bing, Yan-Min; Xu, Na; Shi, Wei; Cheng, Peng","An unusual three-dimensional Dy-Cd2 framework exhibiting single-ion magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7757","7760","10.1039/c5dt00721f","","","0.71073","MoKα","","0.0336","0.0321","","","0.0673","0.0683","","","","","","1.027","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034494","15.1982","0.0012","18.9472","0.0012","19.5041","0.0013","116.336","0.006","100.484","0.006","93.871","0.006","4879","0.7","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C138 H138 Cu6 Eu6 N12 O62 -","- C138 H138 Cu6 Eu6 N12 O62 -","- C138 H138 Cu6 Eu6 N12 O62 -","1","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.1129","0.0766","","","0.1928","0.2144","","","","","","1.023","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034495","15.1096","0.0004","18.9651","0.0005","19.3767","0.0006","116.117","0.003","100.924","0.002","92.814","0.002","4839.6","0.3","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C140.1 H160.9 Cu6 Gd6 N12.7 O69.7 -","- C140.1 H160.9 Cu6 Gd6 N12.7 O69.7 -","- C140.1 H160.9 Cu6 Gd6 N12.7 O69.7 -","1","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.1129","0.0659","","","0.1351","0.1497","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034496","15.0763","0.0004","18.9062","0.0006","19.3431","0.0006","116.101","0.003","100.935","0.003","92.943","0.002","4804.2","0.3","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C138 H148 Cu6 Dy6 N12 O65 -","- C138 H148 Cu6 Dy6 N12 O65 -","- C138 H148 Cu6 Dy6 N12 O65 -","1","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.0868","0.0583","","","0.1423","0.1551","","","","","","1","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034497","15.3521","0.0011","26.8468","0.0017","24.981","0.002","90","","91.157","0.007","90","","10293.9","1.3","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C141 H165.6 Eu6 N13 O71.3 Zn6 -","- C138 H138 Eu6 N12 O60 Zn6 -","- C276 H276 Eu12 N24 O120 Zn12 -","2","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.211","0.0864","","","0.1145","0.1376","","","","","","0.824","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034498","23.7331","0.0011","17.0913","0.0006","25.6958","0.0014","90","","110.935","0.006","90","","9734.9","0.9","199.8","0.4","199.8","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H52 Gd N2 Ni2 O29 -","- C29 H52 Gd N2 Ni2 O29 -","- C232 H416 Gd8 N16 Ni16 O232 -","8","1","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.1213","0.0732","","","0.1642","0.1929","","","","","","1.028","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034499","15.1001","0.0006","27.9469","0.0009","25.5495","0.0007","90","","93.399","0.003","90","","10762.9","0.6","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H173.4 Dy6 N13 Ni6 O68.7 -","- C150 H173.4 Dy6 N13 Ni6 O68.7 -","- C300 H346.8 Dy12 N26 Ni12 O137.4 -","2","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.1337","0.071","","","0.1056","0.1207","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034500","15.113","0.0003","26.555","0.0004","24.6138","0.0005","90","","90.858","0.006","90","","9877","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C143.5 H172.2 Dy6 N12 O71.6 Zn6 -","- C143.5 H172.2 Dy6 N12 O71.6 Zn6 -","- C287 H344.4 Dy12 N24 O143.2 Zn12 -","2","0.5","","Dinca, Alina S.; Shova, Sergiu; Ion, Adrian E.; Maxim, Catalin; Lloret, Francesc; Julve, Miguel; Andruh, Marius","Ascorbic acid decomposition into oxalate ions: a simple synthetic route towards oxalato-bridged heterometallic 3d-4f clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7148","7151","10.1039/c5dt00778j","","","0.71073","MoKα","","0.2338","0.0636","","","0.1168","0.1662","","","","","","0.661","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034501","9.9884","0.0011","17.0223","0.0011","19.465","0.002","75.95","0.008","84.262","0.009","80.032","0.007","3156.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 Cu6 N12 O22 -","- C52 H40 Cu6 N12 O22 -","- C104 H80 Cu12 N24 O44 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Krämer, Karl W; Baca, Svetlana G.; Liu, Shi-Xia; Decurtins, Silvio; Fonari, Marina S.","A one-dimensional coordination polymer based on Cu3-oximato metallacrowns bridged by benzene-1,4-dicarboxylato ligands: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7896","7902","10.1039/c5dt00533g","","","0.71073","MoKα","","0.1405","0.0694","","","0.0932","0.1106","","","","","","1.1","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034502","9.7137","0.0004","17.114","0.0006","14.6646","0.0008","90","","92.48","0.002","90","","2435.56","0.19","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Ti -","- C29 H38 Ti -","- C116 H152 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0595","0.0384","","","0.0923","0.1017","","","","","","1.018","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034503","17.9326","0.0006","9.3275","0.0003","16.6995","0.0006","90","","90","","90","","2793.26","0.16","150","2","150","2","","","","","","","synthesized by the authors","4","P c a 21","P 2c -2ac","29","","","","- C31 H44 Si Ti -","- C31 H44 Si Ti -","- C124 H176 Si4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0367","0.0307","","","0.0744","0.0768","","","","","","1.052","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034504","19.4682","0.0007","12.6977","0.0005","22.4521","0.0009","90","","90.201","0.002","90","","5550.2","0.4","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C29 H48 Si Ti -","- C29 H48 Si Ti -","- C232 H384 Si8 Ti8 -","8","4","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0662","0.042","","","0.0868","0.0974","","","","","","1.025","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034505","14.8383","0.0009","11.7361","0.0007","14.7174","0.0006","90","","109.994","0.002","90","","2408.5","0.2","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Ti -","- C27 H42 Ti -","- C108 H168 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7276","7291","10.1039/c5dt00351b","","","0.71073","MoKα","","0.0658","0.0425","","","0.1012","0.1115","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7034506","9.008","0.002","11.722","0.003","12.262","0.003","97.328","0.004","97.679","0.004","93.683","0.004","1268.3","0.5","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cl16 O11 Ru2 -","- C40 H18 Cl16 O11 Ru2 -","- C40 H18 Cl16 O11 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0419","","","","0.1042","","","","","","1.067","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034507","10.5437","0.0011","12.9354","0.0014","15.4899","0.0018","90","","92.213","0.004","90","","2111","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl12 O10 Ru2 -","- C36 H24 Cl12 O10 Ru2 -","- C72 H48 Cl24 O20 Ru4 -","2","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0497","","","","0.1333","","","","","","1.041","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034508","9.988","0.003","10.925","0.004","11.72","0.004","86.02","0.04","76.5","0.04","76.4","0.04","1208.5","0.8","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cl12 O10 Ru2 -","- C42 H38 Cl12 O10 Ru2 -","- C42 H38 Cl12 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0975","","","","0.2707","","","","","","1.045","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034509","14.915","0.004","15.272","0.003","18.323","0.004","90","","94.955","0.007","90","","4158","1.7","123","","123","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H28 F12 O10.5 Ru2 -","- C38 H25 F12 O10.5 Ru2 -","- C152 H100 F48 O42 Ru8 -","4","1","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0686","","","","0.188","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034510","7.9515","0.0008","11.1817","0.0012","11.4337","0.0012","108.035","0.002","94.7665","0.0016","95.4834","0.0008","955.37","0.17","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl8 O10 Ru2 -","- C36 H16 Cl8 O10 Ru2 -","- C36 H16 Cl8 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0307","","","","0.0807","","","","","","1.095","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034511","7.7411","0.0019","10.973","0.003","11.011","0.003","106.408","0.003","92.403","0.003","101.099","0.004","875.8","0.4","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 F8 O10 Ru2 -","- C36 H28 F8 O10 Ru2 -","- C36 H28 F8 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0301","","","","0.0852","","","","","","1.164","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034512","9.3702","0.0017","10.3639","0.0018","12.289","0.002","69.52","0.011","71.324","0.009","77.853","0.011","1052.6","0.3","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl12 O10 Ru2 -","- C36 H24 Cl12 O10 Ru2 -","- C36 H24 Cl12 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0407","","","","0.1278","","","","","","1.177","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034513","7.9931","0.0019","11.5843","0.0018","11.8","0.003","66.08","0.02","84.46","0.03","78.06","0.03","977.1","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl8 O10 Ru2 -","- C36 H16 Cl8 O10 Ru2 -","- C36 H16 Cl8 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0557","","","","0.1648","","","","","","1.099","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034514","7.8183","0.001","10.9306","0.0009","11.4882","0.0011","67.979","0.011","82.987","0.015","76.434","0.015","884.12","0.18","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 F8 O10 Ru2 -","- C36 H16 F8 O10 Ru2 -","- C36 H16 F8 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0304","","","","0.0817","","","","","","1.083","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034515","9.3505","0.0005","19.7565","0.0011","22.45","0.0013","90.0602","0.0007","97.142","0.001","100.429","0.0009","4045.9","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl8 O10 Ru2 -","- C36 H25 Cl8 O10 Ru2 -","- C144 H100 Cl32 O40 Ru8 -","4","2","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0253","","","","0.0632","","","","","","1.075","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034516","10.013","0.004","10.618","0.005","10.661","0.005","84.303","0.013","72.127","0.011","78.646","0.012","1056.7","0.8","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 F8 O12 Ru2 -","- C44 H40 F8 O12 Ru2 -","- C44 H40 F8 O12 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0582","","","","0.17","","","","","","1.128","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034517","20.67","0.004","20.241","0.004","9.547","0.002","90","","94.726","0.003","90","","3980.7","1.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl8 O10 Ru2 -","- C36 H20 Cl8 O10 Ru2 -","- C144 H80 Cl32 O40 Ru8 -","4","1","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0427","","","","0.1241","","","","","","1.058","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034518","7.771","0.005","11.887","0.007","12.322","0.007","80.866","0.012","87.016","0.015","89.751","0.016","1122.3","1.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl12 O10 Ru2 -","- C36 H24 Cl12 O10 Ru2 -","- C36 H24 Cl12 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0559","","","","0.1455","","","","","","1.121","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034519","9.7894","0.0009","11.6023","0.0009","19.987","0.002","75.265","0.004","84.039","0.005","69.065","0.004","2050.3","0.3","97","","97","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl8 O10 Ru2 -","- C36 H28 Cl8 O10 Ru2 -","- C72 H56 Cl16 O20 Ru4 -","2","1","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","0.0964","0.0871","","","0.2379","0.2491","","","","","","1.075","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034520","8.924","0.004","11.032","0.003","13.507","0.0019","68.76","0.07","71.86","0.08","74.94","0.08","1161.5","1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl8 O10 Ru2 -","- C42 H42 Cl8 O10 Ru2 -","- C42 H42 Cl8 O10 Ru2 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.7107","MoKα","","","0.0328","","","","0.0938","","","","","","1.06","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034521","8.9314","0.0009","19.65","0.002","11.025","0.0012","90","","102.797","0.0015","90","","1886.8","0.3","97","","97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 O10 Ru2 -","- C36 H32 Cl4 O10 Ru2 -","- C72 H64 Cl8 O20 Ru4 -","2","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.0299","","","","0.0819","","","","","","1.055","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034522","12.2925","0.0011","13.8331","0.0013","15.0599","0.0015","71.143","0.005","71.494","0.005","71.502","0.006","2231.3","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Cl4 O12 Ru2 -","- C44 H32 Cl4 O12 Ru2 -","- C88 H64 Cl8 O24 Ru4 -","2","1","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8156","8168","10.1039/c5dt00505a","","","0.71075","MoKα","","","0.054","","","","0.1503","","","","","","1.054","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034523","7.6995","0.0015","13.641","0.003","19.04","0.004","109.24","0.03","93.49","0.03","92.7","0.03","1879.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H58 Co N8 O28 Tb4 -","- C82 H58 Co N8 O28 Tb4 -","- C82 H58 Co N8 O28 Tb4 -","1","0.5","","Wu, Wen-Ya; Zhang, Rui-Feng; Zhang, Xue-Jing; Cheng, Peng","Two novel 3d-4f heterometallic coordination polymers with infinite [Ln4(OH)4]n(8n+) chains involving in situ decarboxylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7144","7147","10.1039/c5dt00586h","","","0.71073","MoKα","","0.0413","0.033","","","0.0866","0.0924","","","","","","1.085","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034524","7.6805","0.0015","13.635","0.003","19.036","0.004","109.16","0.03","93.43","0.03","92.75","0.03","1874.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H58 Co Dy4 N8 O28 -","- C82 H58 Co Dy4 N8 O28 -","- C82 H58 Co Dy4 N8 O28 -","1","0.5","","Wu, Wen-Ya; Zhang, Rui-Feng; Zhang, Xue-Jing; Cheng, Peng","Two novel 3d-4f heterometallic coordination polymers with infinite [Ln4(OH)4]n(8n+) chains involving in situ decarboxylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7144","7147","10.1039/c5dt00586h","","","0.71073","MoKα","","0.0358","0.0299","","","0.0715","0.077","","","","","","1.097","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034525","20.784","0.002","8.1816","0.0008","18.346","0.002","90","","101.392","0.012","90","","3058.2","0.6","150.06","0.15","150.06","0.15","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H36 B2 Cl4 N4 O4 -","- C28 H36 B2 Cl4 N4 O4 -","- C112 H144 B8 Cl16 N16 O16 -","4","0.5","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","x-ray","0.71073","MoKα","","0.1518","0.0856","","","0.1804","0.1993","","","","","","1.096","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034526","8.5427","0.0003","10.6291","0.0004","10.8732","0.0004","76.955","0.003","85.336","0.003","72.748","0.003","918.44","0.06","150.04","0.18","150","","","","","","","","University of Manchester","6","P -1","-P 1","2","","","","- C38 H40 B2 Cl4 N4 O4 -","- C38 H40 B2 Cl4 N4 O4 -","- C38 H40 B2 Cl4 N4 O4 -","1","0.5","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","","0.71073","MoKα","","0.0535","0.0437","","0.1103","0.1","0.1102","","","","","","0.9469","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034527","9.0422","0.0009","10.6101","0.001","16.1806","0.0014","82.739","0.008","86.594","0.007","76.681","0.008","1497.7","0.2","150.03","0.18","150.03","0.18","","","","","","","University of Manchester","5","P -1","-P 1","2","","","","- C64 H72 B6 N8 O12 -","- C64 H72 B6 N8 O12 -","- C64 H72 B6 N8 O12 -","1","0.5","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","","0.71073","MoKα","","0.1195","0.0858","","0.2016","0.1895","0.2016","","","","","","1.0004","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034528","11.248","0.0004","17.8619","0.0005","14.4481","0.0005","90","","107.602","0.004","90","","2766.87","0.17","150.02","0.1","150.02","0.1","","","","","","","University of Manchester","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B2 Cl2 N2 O4 -","- C30 H26 B2 Cl2 N2 O4 -","- C120 H104 B8 Cl8 N8 O16 -","4","1","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","x-ray","0.71073","MoKα","","0.0844","0.0595","","0.12","0.1059","0.12","","","","","","0.9821","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034529","14.8432","0.0014","17.7593","0.0016","18.992","0.003","90","","109.02","0.014","90","","4733.1","1","150.01","0.12","150.01","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 B2 N2 O4.5 -","- C26 H26 B2 N2 O4.5 -","- C208 H208 B16 N16 O36 -","8","2","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","x-ray","0.71073","MoKα","","0.1733","0.0857","","0.2075","0.1638","0.2075","","","","","","0.9875","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7034530","10.2132","0.0004","30.9988","0.0011","16.2427","0.0006","90","","95.006","0.002","90","","5122.8","0.3","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","2","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.7107","MoKα","","0.1021","0.0685","","","0.148","0.1693","","","","","","1.096","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034531","13.6378","0.0018","14.5501","0.0017","15.854","0.002","76.043","0.006","82.248","0.006","69.739","0.006","2859.6","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H31 Cl N4 O3 -","- C33.5 H31 Cl N4 O3 -","- C134 H124 Cl4 N16 O12 -","4","2","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0963","0.0757","","","0.2133","0.2382","","","","","","1.065","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034532","18.484","0.002","11.4954","0.0013","15.595","0.002","90","","105.689","0.0016","90","","3190.2","0.6","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 N4 O11 Zn -","- C33 H30 Cl2 N4 O11 Zn -","- C132 H120 Cl8 N16 O44 Zn4 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0367","0.0334","","","0.0862","0.0891","","","","","","1.061","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034533","18.248","0.005","11.367","0.003","15.943","0.004","90","","95.105","0.003","90","","3293.9","1.5","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cd Cl2 N4 O11 -","- C33 H30 Cd Cl2 N4 O11 -","- C132 H120 Cd4 Cl8 N16 O44 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0506","0.0453","","","0.1141","0.1185","","","","","","1.078","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034534","19.446","0.005","14.257","0.003","15.252","0.004","90","","116.37","0.002","90","","3788.5","1.6","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H38 Cl2 N5 O12.5 Zn -","- C36 H37 Cl2 N5 O12.5 Zn -","- C144 H148 Cl8 N20 O50 Zn4 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0428","0.0396","","","0.098","0.1017","","","","","","1.082","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034535","12.5269","0.0017","14.684","0.002","20.826","0.003","72.888","0.007","69.124","0.007","64.913","0.006","3195","0.8","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N4 O11.5 Zn -","- C29 H29 Cl2 N4 O11.5 Zn -","- C116 H116 Cl8 N16 O46 Zn4 -","4","2","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0739","0.0506","","","0.1166","0.1336","","","","","","1.079","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034536","17.838","0.003","11.9318","0.0016","15.668","0.002","90","","97.019","0.0017","90","","3309.8","0.8","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cd Cl2 N4 O12 -","- C30 H32 Cd Cl2 N4 O12 -","- C120 H128 Cd4 Cl8 N16 O48 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Ohnishi, Risa; Kizu, Asako; Konno, Hideo","Tris(8-methoxy-2-quinolylmethyl)amine (8-MeOTQA) as a highly fluorescent Zn(2+) probe prepared by convenient C3-symmetric tripodal amine synthesis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8021","8030","10.1039/c5dt00514k","","","0.71075","MoKα","","0.0498","0.044","","","0.1149","0.1201","","","","","","1.066","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034537","9.268","0.004","13.526","0.006","13.154","0.006","90","","97.941","0.006","90","","1633.2","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 Cu N3 O -","- C15 H17 Cl2 Cu N3 O -","- C60 H68 Cl8 Cu4 N12 O4 -","4","1","","Wu, Li; Zhong, Wei; Xu, Beibei; Wei, Zhenhong; Liu, Xiaoming","Synthesis and characterization of copper(ii) complexes with multidentate ligands as catalysts for the direct hydroxylation of benzene to phenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8013","8020","10.1039/c5dt00575b","","","0.71073","MoKα","","0.0572","0.0454","","","0.1127","0.1176","","","","","","1.052","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034538","12.006","0.005","9.927","0.004","17.447","0.006","90","","116.68","0.02","90","","1858","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl2 Cu2 N8 O10 -","- C36 H38 Cl2 Cu2 N8 O10 -","- C72 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Wu, Li; Zhong, Wei; Xu, Beibei; Wei, Zhenhong; Liu, Xiaoming","Synthesis and characterization of copper(ii) complexes with multidentate ligands as catalysts for the direct hydroxylation of benzene to phenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8013","8020","10.1039/c5dt00575b","","","0.71073","MoKα","","0.1174","0.1071","","","0.2503","0.2563","","","","","","1.169","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034539","10.7113","0.0007","14.3928","0.0007","15.4664","0.0008","99.599","0.004","90.861","0.005","102.525","0.005","2291.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 N6 Ni O4 -","- C44 H82 N6 Ni O4 -","- C88 H164 N12 Ni2 O8 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.0564","0.0467","","","0.1301","0.136","","","","","","1.022","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034540","24.3834","0.0007","13.4528","0.0003","15.9421","0.0004","90","","110.328","0.003","90","","4903.7","0.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H90 N6 Ni O6 -","- C46 H90 N6 Ni O6 -","- C184 H360 N24 Ni4 O24 -","4","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","0.71073","MoKα","","0.0452","0.0344","","","0.0927","0.095","","","","","","1.03","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034541","13.5126","0.0005","14.7246","0.0004","25.4056","0.0007","90","","95.567","0.003","90","","5031.1","0.3","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H90 N6 Ni O4 -","- C48 H90 N6 Ni O4 -","- C192 H360 N24 Ni4 O16 -","4","2","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.1361","0.0991","","","0.2531","0.2794","","","","","","0.961","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034542","10.5836","0.0013","14.534","0.003","15.6095","0.0015","98.444","0.011","91.564","0.009","102.014","0.012","2318.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Cu N6 O4 -","- C44 H82 Cu N6 O4 -","- C88 H164 Cu2 N12 O8 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.0497","0.0345","","","0.085","0.0892","","","","","","0.939","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034543","24.396","0.005","13.432","0.003","15.919","0.003","90","","109.8","0.03","90","","4908","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H90 Cu N6 O6 -","- C46 H90 Cu N6 O6 -","- C184 H360 Cu4 N24 O24 -","4","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","0.71073","MoKα","","0.0463","0.0368","","","0.0933","0.1013","","","","","","1.06","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034544","13.4875","0.0006","14.6748","0.0007","25.614","0.0012","90","","95.346","0.004","90","","5047.6","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 Cu N6 O4 -","- C48 H90 Cu N6 O4 -","- C192 H360 Cu4 N24 O16 -","4","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.1498","0.0883","","","0.2625","0.298","","","","","","0.974","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034545","16.1788","0.0011","29.4709","0.0015","11.2788","0.0007","90","","91.797","0.007","90","","5375.1","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150 H290 Cl4 Cu12 N48 O43 -","- C150 H290 Cl4 Cu12 N48 O43 -","- C150 H290 Cl4 Cu12 N48 O43 -","1","0.25","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias","Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8062","8079","10.1039/c4dt03579h","","","1.54184","CuKα","","0.1419","0.0994","","","0.2628","0.2894","","","","","","0.953","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034546","13.662","0.0009","16.9318","0.0012","17.2449","0.0012","90","","103.456","0.001","90","","3879.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Th -","- C48 H50 Th -","- C192 H200 Th4 -","4","0.5","","Fang, Bo; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","A thorium metallacyclopentadiene complex: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7927","7934","10.1039/c5dt00838g","","","0.71073","MoKα","","0.0199","0.0179","","","0.0414","0.042","","","","","","1.069","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034547","11.359","0.003","11.964","0.003","20.965","0.005","102.212","0.003","100.717","0.004","91.28","0.004","2730.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H70 N2 Th -","- C67 H70 N2 Th -","- C134 H140 N4 Th2 -","2","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","A thorium metallacyclopentadiene complex: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7927","7934","10.1039/c5dt00838g","","","0.71073","MoKα","","0.0362","0.0308","","","0.0695","0.0716","","","","","","1.042","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034548","14.231","0.003","22.998","0.005","14.519","0.003","90","","91.535","0.004","90","","4750.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 N2 Si Th -","- C55 H63 N2 Si Th -","- C220 H252 N8 Si4 Th4 -","4","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","A thorium metallacyclopentadiene complex: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7927","7934","10.1039/c5dt00838g","","","0.71073","MoKα","","0.0483","0.0327","","","0.0676","0.0729","","","","","","0.994","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034549","48.165","0.01","10.309","0.002","26.366","0.006","90","","118.008","0.006","90","","11558","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 N6 Th -","- C62 H64 N6 Th -","- C496 H512 N48 Th8 -","8","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","A thorium metallacyclopentadiene complex: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7927","7934","10.1039/c5dt00838g","","","0.71073","MoKα","","0.0529","0.0355","","","0.0753","0.0802","","","","","","1","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034550","12.0143","0.0009","12.3064","0.0007","18.2691","0.0008","101.431","0.004","99.543","0.006","90.807","0.005","2607.8","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H126 F K Mn4 O34 S8 -","- C96 H126 F K Mn4 O34 S8 -","- C96 H126 F K Mn4 O34 S8 -","1","0.5","","Suffren, Yan; O'Toole, Niall; Hauser, Andreas; Jeanneau, Erwann; Brioude, Arnaud; Desroches, Cédric","Discrete polynuclear manganese(ii) complexes with thiacalixarene ligands: synthesis, structures and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7991","8000","10.1039/c5dt00827a","","x-ray","0.71073","MoKα","","0.0711","0.0521","","0.125","0.1015","0.125","","","","","","0.9814","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034551","16.301","","9.193","","13.044","","90","","100.67","","90","","1920.91","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","L5","","","- C20 H24 N4 O2 -","- C20 H24 N4 O2 -","- C80 H96 N16 O8 -","4","0.5","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.1448","0.0785","","","0.2007","0.25","","","","","","1.034","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034552","9.247","","15.775","","17.778","","90","","90.75","","90","","2593.08","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hg2","","","- C19 H21 Cl6 Hg2 N4 -","- C19 H21 Cl6 Hg2 N4 -","- C76 H84 Cl24 Hg8 N16 -","4","0.5","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0425","0.0374","","","0.0964","0.0996","","","","","","1.053","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034553","9.094","0.0018","9.6731","0.0019","15.98","0.003","95.63","0.03","91.68","0.03","109.86","0.03","1312.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn","","","- C21 H28 Cl4 N4 O Zn2 -","- C21 H28 Cl4 N4 O Zn2 -","- C42 H56 Cl8 N8 O2 Zn4 -","2","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0682","0.046","","","0.1111","0.126","","","","","","1.059","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034554","11.881","0.002","9.393","0.0019","17.817","0.004","90","","95.76","0.03","90","","1978.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 Hg N4 -","- C20 H16 Cl2 Hg N4 -","- C80 H64 Cl8 Hg4 N16 -","4","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.1341","0.1009","","","0.3298","0.3512","","","","","","1.141","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034555","13.266","0.003","12.294","0.003","16.037","0.003","90","","92.24","0.03","90","","2613.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl4 Hg2 N4 O2 -","- C20 H24 Cl4 Hg2 N4 O2 -","- C80 H96 Cl16 Hg8 N16 O8 -","4","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0863","0.0523","","","0.1202","0.1457","","","","","","1.055","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034556","7.8745","0.0008","9.5915","0.001","17.3499","0.0018","100.839","0.001","91.449","0.001","106.925","0.001","1226.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl4 Hg2 N4 O2 -","- C18 H22 Cl4 Hg2 N4 O2 -","- C36 H44 Cl8 Hg4 N8 O4 -","2","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0719","0.0287","","","0.0676","0.085","","","","","","0.868","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034557","5.4024","0.0008","14.091","0.0016","11.7517","0.0013","90","","102.611","0.012","90","","873.02","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N2 O -","- C9 H11 N2 O -","- C36 H44 N8 O4 -","4","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.1789","0.0628","","","0.1041","0.1393","","","","","","0.92","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034558","13.404","0.003","15.715","0.003","19.102","0.004","90","","90","","90","","4023.7","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl2 N4 O0 Zn -","- C20 H18 Cl2 N4 Zn -","- C160 H144 Cl16 N32 Zn8 -","8","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.1074","0.0662","","","0.1811","0.2155","","","","","","0.846","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034559","10.18","0.002","13.936","0.003","14.518","0.003","90","","91.28","0.03","90","","2059.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl2 N4 O0 Zn -","- C21 H20 Cl2 N4 Zn -","- C84 H80 Cl8 N16 Zn4 -","4","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.2347","0.1329","","","0.2445","0.2914","","","","","","1.097","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034560","8.336","0.0017","12.047","0.002","13.642","0.003","112.4","0.03","90.1","0.03","110.13","0.03","1175.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl4 N4 Zn2 -","- C18 H20 Cl4 N4 Zn2 -","- C36 H40 Cl8 N8 Zn4 -","2","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.191","0.088","","","0.2243","0.3098","","","","","","0.723","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034561","23.119","0.005","8.2756","0.0017","13.429","0.003","90","","90.56","0.03","90","","2569.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl4 N4 O2 Zn2 -","- C20 H24 Cl4 N4 O2 Zn2 -","- C80 H96 Cl16 N16 O8 Zn8 -","4","0.5","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0381","0.0301","","","0.0727","0.0768","","","","","","0.976","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034562","11.587","0.002","11.786","0.002","13.422","0.003","90","","106.55","0.03","90","","1757","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl2 N4 O Zn -","- C13 H17 Cl2 N4 O Zn -","- C52 H68 Cl8 N16 O4 Zn4 -","4","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.0514","0.035","","","0.0844","0.0912","","","","","","1.051","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034563","25.141","0.003","9.0132","0.0011","16.941","0.002","90","","104.205","0.004","90","","3721.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 Cu N5 O12 -","- C32 H41 Cl2 Cu N5 O12 -","- C128 H164 Cl8 Cu4 N20 O48 -","4","1","","Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut","Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15198","15211","10.1039/c5dt00596e","","","0.71073","MoKα","","0.112","0.079","","","0.2275","0.2604","","","","","","1.152","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034564","19.5","0.006","10.305","0.003","24.405","0.007","90","","105.74","0.008","90","","4720","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Cu F12 N5 O4 P2 -","- C40 H43 Cu F12 N5 O4 P2 -","- C160 H172 Cu4 F48 N20 O16 P8 -","4","1","","Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut","Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15198","15211","10.1039/c5dt00596e","","","0.71073","MoKα","","0.0635","0.053","","","0.143","0.1493","","","","","","1.057","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034565","19.9719","0.0017","10.4277","0.0009","22.0793","0.0019","90","","103.675","0.002","90","","4467.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl2 Cu N5 O12 -","- C38 H43 Cl2 Cu N5 O12 -","- C152 H172 Cl8 Cu4 N20 O48 -","4","1","","Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut","Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15198","15211","10.1039/c5dt00596e","","","0.71073","MoKα","","0.0891","0.0588","","","0.1662","0.1822","","","","","","1.1","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034566","15.7961","0.0006","16.1332","0.0006","18.3202","0.0007","86.435","0.001","84.547","0.001","84.769","0.001","4621.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 Cl2 Cu N5 O12 -","- C40 H47 Cl2 Cu N5 O12 -","- C160 H188 Cl8 Cu4 N20 O48 -","4","2","","Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut","Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15198","15211","10.1039/c5dt00596e","","","0.71073","MoKα","","0.0863","0.0581","","","0.1456","0.1578","","","","","","1.091","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034567","13.316","0.004","26.117","0.009","13.81","0.005","90","","97.715","0.01","90","","4759","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 Cu F12 N6 O5 P2 -","- C43 H54 Cu F12 N6 O5 P2 -","- C172 H216 Cu4 F48 N24 O20 P8 -","4","1","","Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut","Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15198","15211","10.1039/c5dt00596e","","","0.71073","MoKα","","0.0852","0.0767","","","0.2046","0.2134","","","","","","1.072","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034568","8.245","0.0006","11.6571","0.0009","15.3212","0.0013","100.778","0.007","99.668","0.007","91.324","0.006","1423.8","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H34 Br2 Ca N4 O9 -","- C21 H34 Br2 Ca N4 O9 -","- C42 H68 Br4 Ca2 N8 O18 -","2","1","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.54184","CuKα","","0.0647","0.049","","","0.1229","0.1345","","","","","","1.041","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034569","14.1675","0.0007","16.5118","0.0009","17.3328","0.0008","94.247","0.004","109.921","0.004","110.838","0.005","3473.6","0.4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","2","","- C58 H80.4 Br4 Ca2 N8 O23.97 -","- C58 H80.4 Br4 Ca2 N8 O23.97 -","- C116 H160.8 Br8 Ca4 N16 O47.94 -","2","1","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.54184","CuKα","","0.0816","0.0652","","","0.192","0.2107","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034570","11.8051","0.0015","14.1508","0.0016","7.6915","0.0005","90","","91.038","0.009","90","","1284.7","0.2","150","","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","3","","- C18 H22 Br Ca N4 O6 -","- C18 H22 Br Ca N4 O6 -","- C36 H44 Br2 Ca2 N8 O12 -","2","0.5","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.54184","CuKα","","0.0963","0.0697","","","0.1975","0.2293","","","","","","0.952","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034571","4.6746","0.0012","11.632","0.003","13.537","0.003","76.891","0.018","84.108","0.019","85.173","0.019","711.7","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","4","","- C13 H13 Br0.5 Ca0.5 N2 O3 -","- C13 H13 Br0.5 Ca0.5 N2 O3 -","- C26 H26 Br Ca N4 O6 -","2","1","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.54184","CuKα","","0.0954","0.0787","","","0.1897","0.2054","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034572","14.4574","0.0008","15.3803","0.0006","19.457","0.0011","103.011","0.004","107.177","0.005","99.571","0.004","3899.4","0.4","150","2","150","","","","","","","","","8","P -1","-P 1","2","","5","","- C54 H72.5 Br5.65 Ca2.5 Cl0.85 N12 Na O21.75 -","- C54 H72.5 Br5.65 Ca2.5 Cl0.85 N12 Na O21.75 -","- C108 H145 Br11.3 Ca5 Cl1.7 N24 Na2 O43.5 -","2","1","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.5418","CuKα","","0.0983","0.0837","","","0.2304","0.2523","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034573","14.3416","0.0007","20.7798","0.0008","21.1629","0.0008","89.717","0.003","74.471","0.004","75.245","0.004","5862.7","0.5","150","2","150","","","","","","","","","6","P -1","-P 1","2","","6","","- C78 H88 Br6 Ca2.5 N12 O20 -","- C78 H88 Br6 Ca2.5 N12 O20 -","- C156 H176 Br12 Ca5 N24 O40 -","2","1","","Suresh, Paladugu; Naga Babu, Chatla; Sampath, Natarajan; Prabusankar, Ganesan","Photoluminescent calcium azolium carboxylates with diversified calcium coordination geometry and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7338","7346","10.1039/c5dt00480b","","","1.54184","CuKα","","0.1194","0.0995","","","0.2967","0.3199","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034574","10.329","0.004","4.6947","0.0018","11.369","0.004","90","","91.881","0.006","90","","551","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu0.28 O4 Zn0.67 -","- C10 H14 Cu0.28 O4 Zn0.67 -","- C20 H28 Cu0.56 O8 Zn1.34 -","2","0.5","","Rooydell, Reza; Wang, Ruey-Chi; Brahma, Sanjaya; Ebrahimzadeh, Farzaneh; Liu, Chuan-Pu","Synthesis and characterization of bis (acetylacetonato κ-O, O') [zinc(ii)/copper(ii)] hybrid organic-inorganic complexes as solid metal organic precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7982","7990","10.1039/c5dt00808e","","","0.71073","MoKα","","0.0507","0.0323","","","0.0779","0.0872","","","","","","1.052","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034575","8.024","0.003","12.015","0.005","21.266","0.009","87.69","0.009","89.191","0.009","88.2546","0.001","2047.4","1.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","heteroleptic bis(dipyrrinato)copper","","- C52 H46 Cu N4 -","- C52 H46 Cu N4 -","- C104 H92 Cu2 N8 -","2","1","","Toyoda, Ryojun; Tsuchiya, Mizuho; Sakamoto, Ryota; Matsuoka, Ryota; Wu, Kuo-Hui; Hattori, Yohei; Nishihara, Hiroshi","Heteroleptic bis(dipyrrinato)copper(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15103","15106","10.1039/c5dt00724k","","","0.71075","MoKα","","","0.0623","","","","0.2049","","","","","","1","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034576","8.062","0.0012","12.0416","0.0018","21.376","0.004","87.391","0.003","88.849","0.004","88.017","0.003","2071.4","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","heteroleptic bis(dipyrrinato)nickel","","- C52 H46 N4 Ni -","- C52 H46 N4 Ni -","- C104 H92 N8 Ni2 -","2","1","","Toyoda, Ryojun; Tsuchiya, Mizuho; Sakamoto, Ryota; Matsuoka, Ryota; Wu, Kuo-Hui; Hattori, Yohei; Nishihara, Hiroshi","Heteroleptic bis(dipyrrinato)copper(ii) and nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15103","15106","10.1039/c5dt00724k","","","0.7107","MoKα","","","0.0379","","","","0.1018","","","","","","1.038","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034577","11.7599","0.0003","12.4522","0.0003","6.44063","0.00016","90","","113.913","0.002","90","","862.19","0.04","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Co1.935 Fe1.065 Na2 O12 P3 -","- Co1.945 Fe1.055 Na2 O12 P3 -","- Co7.78 Fe4.22 Na8 O48 P12 -","4","0.5","","Essehli, R.; Belharouak, I.; Ben Yahia, H.; Maher, K.; Abouimrane, A.; Orayech, B.; Calder, S.; Zhou, X. L.; Zhou, Z.; Sun, Y.-K.","Alluaudite Na2Co2Fe(PO4)3 as an electroactive material for sodium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7881","7886","10.1039/c5dt00971e","powder diffraction","neutron","2.413","","","0.0113","0.0103","","0.0114","0.0113","","","","0.76","","","","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034578","19.5624","0.0004","10.11895","0.00018","33.2256","0.0006","90","","101.291","0.0018","90","","6449.7","0.2","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H33 N12 O18 Sm -","- C18 H33 N12 O18 Sm -","- C144 H264 N96 O144 Sm8 -","8","1","","Tang, Ning; Zhao, Ying; He, Ling; Yuan, Wen-Li; Tao, Guo-Hong","Long-lived luminescent soft materials of hexanitratosamarate(iii) complexes with orange visible emission.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8816","8823","10.1039/c5dt00191a","","","0.71073","MoKα","","0.0339","0.0277","","","0.0547","0.057","","","","","","1.074","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034579","12.8912","0.0004","16.8203","0.0005","15.6003","0.0005","90","","107.636","0.002","90","","3223.69","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 O P Ti -","- C38 H44 O P Ti -","- C152 H176 O4 P4 Ti4 -","4","1","","Klahn, Marcus; Hollmann, Dirk; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","Titanocene(iii) complexes with 2-phosphinoaryloxide ligands for the catalytic dehydrogenation of dimethylamine borane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12103","12111","10.1039/c5dt00275c","","","0.71073","MoKα","","0.0397","0.031","","","0.0803","0.0873","","","","","","1.048","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034580","17.2942","0.0004","10.2289","0.0003","18.3519","0.0005","90","","110.637","0.001","90","","3038.14","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 O P Ti -","- C32 H48 O P Ti -","- C128 H192 O4 P4 Ti4 -","4","1","","Klahn, Marcus; Hollmann, Dirk; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","Titanocene(iii) complexes with 2-phosphinoaryloxide ligands for the catalytic dehydrogenation of dimethylamine borane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12103","12111","10.1039/c5dt00275c","","","0.71073","MoKα","","0.0426","0.0345","","","0.0886","0.0947","","","","","","1.038","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034581","20.1401","0.0007","9.5333","0.0003","10.0967","0.0003","90","","90","","90","","1938.58","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H28 O P Ti -","- C22 H28 O P Ti -","- C88 H112 O4 P4 Ti4 -","4","1","","Klahn, Marcus; Hollmann, Dirk; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","Titanocene(iii) complexes with 2-phosphinoaryloxide ligands for the catalytic dehydrogenation of dimethylamine borane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12103","12111","10.1039/c5dt00275c","","","0.71073","MoKα","","0.045","0.0354","","","0.0802","0.0853","","","","","","1.029","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034582","8.9793","0.0002","9.9618","0.0002","15.3438","0.0004","100.246","0.001","94.705","0.001","112.776","0.001","1227.96","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H28 O P Ti -","- C31.5 H28 O P Ti -","- C63 H56 O2 P2 Ti2 -","2","1","","Klahn, Marcus; Hollmann, Dirk; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","Titanocene(iii) complexes with 2-phosphinoaryloxide ligands for the catalytic dehydrogenation of dimethylamine borane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12103","12111","10.1039/c5dt00275c","","","0.71073","MoKα","","0.0413","0.035","","","0.0859","0.092","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034583","12.1155","0.0003","29.9363","0.0005","15.1278","0.0004","90","","112.253","0.003","90","","5078.1","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H61 F3 N6 O6 Pt S -","- C50 H61 F3 N6 O6 Pt S -","- C200 H244 F12 N24 O24 Pt4 S4 -","4","1","","Zhang, Zhi-Hui; Liu, Jiewei; Wan, Li-Qi; Jiang, Fang-Ru; Lam, Chi-Keung; Ye, Bao-Hui; Qiao, Zhengping; Chao, Hsiu-Yi","Synthesis, characterization, photophysics, and anion binding properties of platinum(ii) acetylide complexes with urea group.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7785","7796","10.1039/c5dt00307e","","","0.71","MoKα","","0.0581","0.0545","","","0.139","0.1451","","","","","","1.047","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034584","14.39499","0.00012","14.86572","0.00015","21.4413","0.0002","90","","95.4312","0.0008","90","","4567.67","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3cMeCN","","- C46 H48 F6 N6 O4 Pt S -","- C46 H48 F6 N6 O4 Pt S -","- C184 H192 F24 N24 O16 Pt4 S4 -","4","1","","Zhang, Zhi-Hui; Liu, Jiewei; Wan, Li-Qi; Jiang, Fang-Ru; Lam, Chi-Keung; Ye, Bao-Hui; Qiao, Zhengping; Chao, Hsiu-Yi","Synthesis, characterization, photophysics, and anion binding properties of platinum(ii) acetylide complexes with urea group.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7785","7796","10.1039/c5dt00307e","","","1.54178","CuKα","","0.0443","0.0385","","","0.0964","0.1019","","","","","","1.015","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034585","9.3035","0.0003","12.023","0.0005","20.6666","0.0005","88.269","0.003","87.144","0.002","79.98","0.003","2273.05","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","3a","","- C43 H46 F3 N5 O4 Pt S -","- C43 H46 F3 N5 O4 Pt S -","- C86 H92 F6 N10 O8 Pt2 S2 -","2","1","","Zhang, Zhi-Hui; Liu, Jiewei; Wan, Li-Qi; Jiang, Fang-Ru; Lam, Chi-Keung; Ye, Bao-Hui; Qiao, Zhengping; Chao, Hsiu-Yi","Synthesis, characterization, photophysics, and anion binding properties of platinum(ii) acetylide complexes with urea group.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7785","7796","10.1039/c5dt00307e","","","0.71","MoKα","","0.062","0.0502","","","0.1288","0.1377","","","","","","1.032","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034586","14.3112","0.0008","14.7141","0.0007","20.9907","0.0008","90","","95.457","0.001","90","","4400.1","0.4","150","2","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","3bMeCN","","- C45 H48 Cl F3 N6 O4 Pt S -","- C45 H48 Cl F3 N6 O4 Pt S -","- C180 H192 Cl4 F12 N24 O16 Pt4 S4 -","4","1","","Zhang, Zhi-Hui; Liu, Jiewei; Wan, Li-Qi; Jiang, Fang-Ru; Lam, Chi-Keung; Ye, Bao-Hui; Qiao, Zhengping; Chao, Hsiu-Yi","Synthesis, characterization, photophysics, and anion binding properties of platinum(ii) acetylide complexes with urea group.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7785","7796","10.1039/c5dt00307e","","","0.71073","MoKα","","0.0533","0.0435","","","0.1268","0.1598","","","","","","1.138","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034587","37.1846","0.0011","15.5125","0.0005","20.9162","0.0006","90","","124.221","0.001","90","","9976.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H84 N30 O22 Pd3 S4 -","- C80 H60 N30 O22 Pd3 S4 -","- C320 H240 N120 O88 Pd12 S16 -","4","0.5","","Ganta, Sudhakar; Chand, Dillip Kumar","Nanoscale metallogel via self-assembly of self-assembled trinuclear coordination rings: multi-stimuli-responsive soft materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15181","15188","10.1039/c4dt03715d","","","0.71073","MoKα","","0.0815","0.058","","","0.1654","0.1916","","","","","","1.042","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034588","12.4975","0.0002","29.8395","0.0006","13.2162","0.0002","90","","101.059","0.002","90","","4837.05","0.15","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 B2 Cl4 N4 O4 Pd2 -","- C36 H50 B2 Cl4 N4 O4 Pd2 -","- C144 H200 B8 Cl16 N16 O16 Pd8 -","4","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.1221","0.0683","","","0.1939","0.2203","","","","","","1.01","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034589","12.9882","0.0002","12.9376","0.0002","12.494","0.0002","90","","75.801","0.001","90","","2035.3","0.06","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B Cl2 N4 O2 Pd -","- C16 H23 B Cl2 N4 O2 Pd -","- C64 H92 B4 Cl8 N16 O8 Pd4 -","4","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.0606","0.041","","","0.1097","0.1172","","","","","","1.042","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034590","9.9764","0.0002","12.3976","0.0003","12.8407","0.0003","62.448","0.001","76.06","0.001","71.989","0.001","1330.01","0.05","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H37 B Cl N2 O2 Rh -","- C26 H37 B Cl N2 O2 Rh -","- C52 H74 B2 Cl2 N4 O4 Rh2 -","2","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.0604","0.0384","","","0.0923","0.1003","","","","","","1.024","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034591","32.549","0.0006","9.5091","0.0002","13.6925","0.0002","90","","99.475","0.002","90","","4180.17","0.13","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","chloro(1-phenyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)-1H-imidazol-3-ium-2-yl)aurate(I)","","- C18 H25 Au B Cl N2 O2 -","- C18 H25 Au B Cl N2 O2 -","- C144 H200 Au8 B8 Cl8 N16 O16 -","8","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.078","0.0453","","","0.1101","0.1205","","","","","","0.998","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034592","24.2473","0.0007","8.6331","0.0003","9.8278","0.0004","90","","100.011","0.001","90","","2025.92","0.12","293","2","293","2","","","","","","","synthesis as described","7","C 1 2 1","C 2y","5","","","","- C16 H23 Au B Cl N4 O2 -","- C16 H23 Au B Cl N4 O2 -","- C64 H92 Au4 B4 Cl4 N16 O8 -","4","1","","Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc","Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7139","7143","10.1039/c5dt00814j","","x-ray","0.71073","MoKα","","0.0642","0.0562","","","0.1395","0.1474","","","","","","1.076","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034593","10.9219","0.0008","14.7181","0.0011","16.2149","0.0012","81.41","0.004","87.13","0.004","87.354","0.003","2572.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ruthenium pyranylidene","","- C58 H57 B O7 P2 Ru -","- C58 H57 B O7 P2 Ru -","- C116 H114 B2 O14 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús","Preparation of pyranylidene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7411","7418","10.1039/c5dt00418g","","","1.54178","CuKα","","0.0577","0.0497","","","0.1305","0.1399","","","","","","1.034","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034594","6.6726","0.0013","19.552","0.004","8.2906","0.0017","90","","96.5","0.03","90","","1074.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cl N2 O5 -","- C7 H13 Cl N2 O5 -","- C28 H52 Cl4 N8 O20 -","4","1","","Shi, Ping-Ping; Ye, Qiong; Li, Qiang; Wang, Hui-Ting; Fu, Da-Wei; Zhang, Yi; Xiong, Ren-Gen","Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8221","8231","10.1039/c5dt00263j","","","0.71073","MoKα","","0.0731","0.0637","","","0.1679","0.1751","","","","","","1.116","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034595","7.7088","0.0015","11.933","0.002","12.458","0.003","90","","94.94","0.03","90","","1141.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 Cl N2 O4 -","- C8 H15 Cl N2 O4 -","- C32 H60 Cl4 N8 O16 -","4","1","","Shi, Ping-Ping; Ye, Qiong; Li, Qiang; Wang, Hui-Ting; Fu, Da-Wei; Zhang, Yi; Xiong, Ren-Gen","Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8221","8231","10.1039/c5dt00263j","","","0.71073","MoKα","","0.0809","0.0751","","","0.212","0.2191","","","","","","1.071","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034596","8.0231","0.0016","12.525","0.003","12.668","0.003","90","","90","","90","","1273","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O4 -","- C9 H20 Cl N O4 -","- C36 H80 Cl4 N4 O16 -","4","1","","Shi, Ping-Ping; Ye, Qiong; Li, Qiang; Wang, Hui-Ting; Fu, Da-Wei; Zhang, Yi; Xiong, Ren-Gen","Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8221","8231","10.1039/c5dt00263j","","","0.71073","MoKα","","0.1245","0.1015","","","0.2802","0.3097","","","","","","1.163","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034597","11.084","0.002","20.02","0.004","25.622","0.005","105.652","0.003","92.715","0.003","97.8","0.003","5403","1.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H84 Al2 Cl2 F72 N4 O8 P2 -","- C79 H84 Al2 Cl2 F72 N4 O8 P2 -","- C158 H168 Al4 Cl4 F144 N8 O16 P4 -","2","1","","Pan, Xiaobo; Wang, Xingyong; Zhang, Zaichao; Wang, Xinping","Two phosphaalkene radical cations with inverse spin density distributions.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15099","15102","10.1039/c5dt00656b","","","0.71073","MoKα","","0.1393","0.0956","","","0.2403","0.2789","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7034598","20.4115","0.0017","20.4115","0.0017","25.444","0.002","90","","90","","120","","9180.5","1.3","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C16 H63.33 N9 O27.67 S4.67 V5 -","- C15.9999 H63.832 N9 O27.6667 S4.66667 V5 -","- C95.9994 H382.992 N54 O166 S28 V30 -","6","0.5","","Zhou, Shuai; Wan, Hongxiang; Hu, Gonghao; Zhang, Yu; Liu, Ying; Miao, Hao; Zhu, Dunru; Xu, Yan","A new vanadium sulfate with ferrimagnetic and NLO properties constructed from novel discrete umbrella-like [V(V)(μ3-O)4V(IV)4O5(SO4)4(en)](5-) anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8605","8608","10.1039/c5dt01026h","","","0.71073","MoKα","","0.1113","0.0694","","","0.1817","0.2063","","","","","","1.079","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034599","20.6746","0.0007","18.677","0.0003","40.0092","0.0014","90","","132.674","0.006","90","","11358.5","1.2","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C216 H484 Cl72 Cu12 N112 O77 -","- C216 H484 Cl71.9996 Cu12 N112 O77 -","- C216 H484 Cl71.9996 Cu12 N112 O77 -","1","0.25","","Pitarch-Jarque, Javier; Belda, Raquel; García-España, Laura; Llinares, José M; Pan, FangFang; Rissanen, Kari; Navarro, Pilar; García-España, Enrique","From isolated 1H-pyrazole cryptand anion receptors to hybrid inorganic-organic 1D helical polymeric anion receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7761","7764","10.1039/c5dt00763a","","","1.5418","CuKα","","0.1049","0.0975","","","0.3214","0.3382","","","","","","1.542","","","","has coordinates,has disorder","180051","2020-10-21","18:00:00",""
"7034600","14.119","0.0008","15.151","0.0005","24.87","0.0011","90","","121.047","0.002","90","","4558","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 3","","- C27 H70 Cl6 N14 O8 -","- C27 H70 Cl6 N14 O8 -","- C108 H280 Cl24 N56 O32 -","4","1","","Pitarch-Jarque, Javier; Belda, Raquel; García-España, Laura; Llinares, José M; Pan, FangFang; Rissanen, Kari; Navarro, Pilar; García-España, Enrique","From isolated 1H-pyrazole cryptand anion receptors to hybrid inorganic-organic 1D helical polymeric anion receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7761","7764","10.1039/c5dt00763a","","","0.71073","MoKα","","0.1266","0.0626","","","0.1369","0.1712","","","","","","1.03","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034601","15.0944","0.0005","14.0094","0.0005","27.2965","0.0011","90","","93.504","0.001","90","","5761.4","0.4","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 Cl2 Cu F6 N2 O P3 -","- C54 H48 Cl2 Cu F6 N2 P3 -","- C216 H192 Cl8 Cu4 F24 N8 P12 -","4","1","","Tsubomura, Taro; Kimura, Kaoru; Nishikawa, Michihiro; Tsukuda, Toshiaki","Structures and photophysical properties of copper(i) complexes bearing diphenylphenanthroline and bis(diphenylphosphino)alkane: the effect of phenyl groups on the phenanthroline ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7554","7562","10.1039/c5dt00835b","","","0.7107","MoKα","","0.09","0.0795","","","0.2906","0.3021","","","","","","1.2","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034602","14.1782","0.0005","14.2519","0.0005","27.434","0.0011","90","","98.546","0.001","90","","5481.9","0.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Cl6 Cu F6 N2 P3 -","- C55 H50 Cl6 Cu F6 N2 P3 -","- C220 H200 Cl24 Cu4 F24 N8 P12 -","4","1","","Tsubomura, Taro; Kimura, Kaoru; Nishikawa, Michihiro; Tsukuda, Toshiaki","Structures and photophysical properties of copper(i) complexes bearing diphenylphenanthroline and bis(diphenylphosphino)alkane: the effect of phenyl groups on the phenanthroline ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7554","7562","10.1039/c5dt00835b","","","0.7107","MoKα","","0.0574","0.0547","","","0.1329","0.1352","","","","","","1.118","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034603","13.54","0.006","15.71","0.006","15.917","0.007","73.22","0.02","69.57","0.02","67.497","0.019","2884","2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H106 Cl10 Cu2 F12 N4 P6 -","- C113 H106 Cl10 Cu2 F12 N4 P6 -","- C113 H106 Cl10 Cu2 F12 N4 P6 -","1","0.5","","Tsubomura, Taro; Kimura, Kaoru; Nishikawa, Michihiro; Tsukuda, Toshiaki","Structures and photophysical properties of copper(i) complexes bearing diphenylphenanthroline and bis(diphenylphosphino)alkane: the effect of phenyl groups on the phenanthroline ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7554","7562","10.1039/c5dt00835b","","","0.7107","MoKα","","0.1144","0.0942","","","","0.2448","","","","","","1.091","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034604","8.4016","0.0003","22.3568","0.0007","8.8088","0.0002","90","","96.33","0.002","90","","1644.49","0.09","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 -","- C18 H23 N3 -","- C72 H92 N12 -","4","1","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0639","0.0533","","","0.1448","0.1522","","","","","","1.118","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034605","9.7817","0.0003","11.9271","0.0003","12.8777","0.0003","64.382","0.001","74.816","0.001","81.082","0.001","1305.91","0.06","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 K N3 O2 -","- C26 H37 K N3 O2 -","- C52 H74 K2 N6 O4 -","2","1","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0584","0.054","","","0.1286","0.1327","","","","","","1.041","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034606","10.4235","0.0002","12.6648","0.0002","17.7569","0.0003","90","","102.744","0.001","90","","2286.37","0.07","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 K2 N6 O4 -","- C44 H64 K2 N6 O4 -","- C88 H128 K4 N12 O8 -","2","0.5","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0384","0.0346","","","0.0899","0.093","","","","","","1.032","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034607","18.5897","0.0005","30.7897","0.0006","13.0053","0.0003","90","","132.269","0.001","90","","5508.4","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H84 Mg N6 O5 -","- C56 H84 Mg N6 O5 -","- C224 H336 Mg4 N24 O20 -","4","0.5","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0928","0.0826","","","0.2203","0.2281","","","","","","1.074","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034608","12.7596","0.0002","16.734","0.0003","14.8552","0.0003","90","","111.355","0.001","90","","2954.1","0.09","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Mg N5 -","- C28 H47 Mg N5 -","- C112 H188 Mg4 N20 -","4","1","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0901","0.0589","","","0.1138","0.1275","","","","","","1.091","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034609","18.3905","0.0002","13.2908","0.0002","18.6905","0.0002","90","","114.468","0.001","90","","4158.14","0.1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Ca N6 O2 -","- C44 H60 Ca N6 O2 -","- C176 H240 Ca4 N24 O8 -","4","1","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0619","0.0501","","","0.1184","0.1263","","","","","","1.055","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034610","9.7228","0.0002","12.0056","0.0003","25.123","0.0005","94.373","0.001","93.183","0.001","113.29","0.001","2673.98","0.1","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H76 N8 Sr -","- C56 H76 N8 Sr -","- C112 H152 N16 Sr2 -","2","1","","Kalden, Diana; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium, calcium, and strontium.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8089","8099","10.1039/c5dt00595g","","","0.71073","MoKα","","0.0612","0.0489","","","0.1063","0.1141","","","","","","1.086","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034611","6.6943","0.0001","11.685","0.0002","12.902","0.0003","63.716","0.002","88.784","0.001","87.443","0.001","903.99","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ag N7 O9 -","- C12 H18 Ag N7 O9 -","- C24 H36 Ag2 N14 O18 -","2","1","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Zawadzka, Katarzyna; Patyna, Emilia; Lisowska, Katarzyna; Ochocki, Justyn","Synthesis, characterization and antimicrobial activity of water-soluble silver(i) complexes of metronidazole drug and selected counter-ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8178","8189","10.1039/c5dt00403a","","","0.71073","MoKα","","0.017","0.0168","","","0.0446","0.0448","","","","","","1.087","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034612","7.3542","0.00001","9.5694","0.0002","27.1612","0.0004","90","","90.151","0.001","90","","1911.47","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag Cl N6 O10 -","- C12 H18 Ag Cl N6 O10 -","- C48 H72 Ag4 Cl4 N24 O40 -","4","1","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Zawadzka, Katarzyna; Patyna, Emilia; Lisowska, Katarzyna; Ochocki, Justyn","Synthesis, characterization and antimicrobial activity of water-soluble silver(i) complexes of metronidazole drug and selected counter-ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8178","8189","10.1039/c5dt00403a","","","0.71073","MoKα","","0.0231","0.0215","","","0.0512","0.0521","","","","","","1.041","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034613","10.8445","0.0001","6.6393","0.0001","28.8769","0.0003","90","","107.267","0.001","90","","1985.43","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag F3 N6 O8 -","- C14 H18 Ag F3 N6 O8 -","- C56 H72 Ag4 F12 N24 O32 -","4","1","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Zawadzka, Katarzyna; Patyna, Emilia; Lisowska, Katarzyna; Ochocki, Justyn","Synthesis, characterization and antimicrobial activity of water-soluble silver(i) complexes of metronidazole drug and selected counter-ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8178","8189","10.1039/c5dt00403a","","","0.71073","MoKα","","0.0235","0.0226","","","0.0544","0.055","","","","","","1.117","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034614","12.4446","0.0001","9.3099","0.0001","19.9718","0.0002","90","","123.399","0.001","90","","1931.77","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N12 O12 -","- C24 H36 Ag2 B2 F8 N12 O12 -","- C48 H72 Ag4 B4 F16 N24 O24 -","2","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Zawadzka, Katarzyna; Patyna, Emilia; Lisowska, Katarzyna; Ochocki, Justyn","Synthesis, characterization and antimicrobial activity of water-soluble silver(i) complexes of metronidazole drug and selected counter-ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8178","8189","10.1039/c5dt00403a","","","0.71073","MoKα","","0.019","0.0183","","","0.0481","0.0489","","","","","","1.101","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034615","7.4078","0.0004","10.0158","0.0006","27.2729","0.0009","90","","91.266","0.005","90","","2023.02","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag2 N12 O18 S2 -","- C26 H42 Ag2 N12 O18 S2 -","- C52 H84 Ag4 N24 O36 S4 -","2","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Zawadzka, Katarzyna; Patyna, Emilia; Lisowska, Katarzyna; Ochocki, Justyn","Synthesis, characterization and antimicrobial activity of water-soluble silver(i) complexes of metronidazole drug and selected counter-ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8178","8189","10.1039/c5dt00403a","","","0.71073","MoKα","","0.052","0.0395","","","0.0905","0.1008","","","","","","1.082","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034616","11.1121","0.0011","12.5247","0.0012","16.0476","0.0016","70.424","0.002","72.6","0.002","83.653","0.002","2007.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DNT derivative from PNP DNT synth","","","- C40 H31 N15 O4 P2 -","- C40 H31 N15 O4 P2 -","- C80 H62 N30 O8 P4 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.1154","0.0692","","","0.1441","0.1626","","","","","","1.026","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034617","5.2515","0.0001","7.6906","0.0001","8.4915","0.0001","67.229","0.001","85.446","0.001","70.13","0.001","296.854","0.008","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N5 O -","- C4 H7 N5 O -","- C8 H14 N10 O2 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0299","0.0288","","","0.0807","0.082","","","","","","1.123","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034618","9.4402","0.0019","10.611","0.002","17.296","0.004","90","","90","","90","","1732.5","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HDNT1","","","- C5 H7 N5 O4 -","- C5 H7 N5 O4 -","- C40 H56 N40 O32 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0691","0.0435","","","0.0943","0.1074","","","","","","1.024","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034619","6.6336","0.0008","7.6993","0.0008","8.5129","0.0009","83.636","0.005","73.035","0.005","65.784","0.006","379.25","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C10 H16 N8 O6 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","1.54178","CuKα","","0.0321","0.03","","","0.0823","0.0841","","","","","","1.055","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034620","9.472","0.002","11.272","0.002","23.86","0.005","90","","90","","90","","2547.5","0.9","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H9 N9 O6 -","- C7 H9 N9 O6 -","- C56 H72 N72 O48 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0725","0.0564","","","0.1607","0.1752","","","","","","1.052","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034621","10.8448","0.0006","11.9539","0.0007","14.4364","0.0008","67.135","0.001","89.788","0.001","76.109","0.001","1665.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PNPDNT/PNPazidonitrotriazolate","Mixed bis (triphenylphosphoranylidene)ammonium 3,5-dinitro-1,2,4-triazolate /bis (triphenylphosphoranylidene)ammonium 5-azido-3-nitro-1,2,4-triazolate","","- C38 H30 N6.51 O3.49 P2 -","- C38 H30 N6.514 O3.486 P2 -","- C76 H60 N13.028 O6.972 P4 -","2","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0516","0.0377","","","0.0931","0.1019","","","","","","0.9","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034622","5.5683","0.0005","5.5683","0.0004","8.4637","0.0003","90","","90.2877","0.0003","90","","262.42","0.03","300","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","Barium Copper Lanthanum Antimony(V) Oxide(1/1/1/1/6)","","","- Ba Cu La O6 Sb -","- Ba Cu La O6 Sb -","- Ba2 Cu2 La2 O12 Sb2 -","2","0.25","","Blanco, M. Cecilia; Paz, Sergio Alexis; Nassif, Vivian M.; Guimpel, Julio J.; Carbonio, Raúl E","Synthesis and characterization of the new two-dimensional Heisenberg antiferromagnet double perovskite BaLaCuSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","23","10860","10866","10.1039/c4dt03880k","powder diffraction","","1.91","ConstantWavelengthNeutronDiffraction","","","","","","","","","10.5356","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034623","18.061","0.002","26.186","0.007","9.735","0.003","90","","90","","90","","4604.1","1.9","190","2","190","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 Mg3 N7 O16 -","- C35.97 H42.966 Mg3 N6.994 O15.998 -","- C143.88 H171.864 Mg12 N27.976 O63.992 -","4","0.5","","Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua","Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8190","8197","10.1039/c4dt03927k","","x-ray","1.54184","CuKα","","0.2079","0.1498","","","0.3442","0.383","","","","","","1.056","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034624","18.1534","0.0012","25.494","0.002","9.7663","0.0008","90","","90","","90","","4519.9","0.6","190","2","190","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 Co3 N7 O16 -","- C35.88 H42.9 Co3 N6.98 O16 -","- C143.52 H171.6 Co12 N27.92 O64 -","4","0.5","","Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua","Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8190","8197","10.1039/c4dt03927k","","x-ray","1.54184","CuKα","","0.1372","0.098","","","0.2352","0.2626","","","","","","1.118","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034625","18.2674","0.0012","7.3169","0.0003","9.9574","0.0006","90","","90","","90","","1330.91","0.13","293","2","293","2","","","","","","","synthesis as described","5","P m n b","-P 2bc 2a","62","","","","- C11 H12 N2 O5 Sr -","- C11 H12 N2 O5 Sr -","- C44 H48 N8 O20 Sr4 -","4","0.5","","Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua","Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8190","8197","10.1039/c4dt03927k","","x-ray","0.71073","MoKα","","0.0831","0.0703","","","0.147","0.1519","","","","","","1.227","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034626","13.2026","0.0018","16.084","0.002","27.889","0.004","95.898","0.002","90.145","0.002","96.779","0.002","5849.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H159 Cl3 Fe11 N O39 -","- C81.5 H159 Cl3 Fe11 N O39 -","- C163 H318 Cl6 Fe22 N2 O78 -","2","1","","Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul","Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7777","7780","10.1039/c5dt00665a","","","0.71073","MoKα","","0.1238","0.0703","","","0.1762","0.2093","","","","","","0.971","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034627","32.725","0.004","28.973","0.004","29.299","0.004","90","","90.576","0.001","90","","27778","6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H176 Fe16 O51.25 -","- C93 H176 Fe16 O51.25 -","- C744 H1408 Fe128 O410 -","8","2","","Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul","Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7777","7780","10.1039/c5dt00665a","","","0.71073","MoKα","","0.1238","0.076","","","0.2002","0.2402","","","","","","1.035","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034628","31.488","0.002","26.215","0.002","31.169","0.002","90","","117.43","0.002","90","","22836","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H141 Fe11 O42 -","- C75 H141 Fe11 O42 -","- C600 H1128 Fe88 O336 -","8","2","","Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul","Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7777","7780","10.1039/c5dt00665a","","","0.71073","MoKα","","0.1298","0.0932","","","0.2135","0.2403","","","","","","1.004","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034629","13.661","0.002","17.953","0.003","21.562","0.004","90","","100.919","0.002","90","","5192.5","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H78 Fe3 N O20 -","- C38 H78 Fe3 N O20 -","- C152 H312 Fe12 N4 O80 -","4","1","","Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul","Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7777","7780","10.1039/c5dt00665a","","","0.71073","MoKα","","0.059","0.0389","","","0.0845","0.0904","","","","","","0.934","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034630","35.891","0.007","30.379","0.006","31.253","0.006","90","","124.42","0.03","90","","28110","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C104 H198 Fe16 O54 -","- C104 H198 Fe16 O54 -","- C832 H1584 Fe128 O432 -","8","1","","Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul","Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7777","7780","10.1039/c5dt00665a","","","0.71073","MoKα","","0.0862","0.0482","","","0.0984","0.1217","","","","","","1.021","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034631","16.8371","0.0011","10.7293","0.0006","9.0448","0.0006","90","","90","","90","","1633.95","0.18","100","2","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","2b","","- C15 H17 I N4 O2 -","- C15 H17 I N4 O2 -","- C60 H68 I4 N16 O8 -","4","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","1.54184","CuKα","","0.0921","0.0491","","","0.1024","0.1211","","","","","","1.017","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034632","9.4007","0.0007","22.7653","0.0011","7.1881","0.0005","90","","90.244","0.006","90","","1538.31","0.17","99.98","0.14","99.98","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","2c","","- C12 H19 I N4 O2 -","- C12 H19 I N4 O2 -","- C48 H76 I4 N16 O8 -","4","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.0593","0.0564","","","0.1407","0.1439","","","","","","1.085","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034633","10.406","0.0011","7.214","0.0007","21.938","0.002","90","","89.954","0.009","90","","1646.9","0.3","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2d","","- C14 H19 I N4 O4 -","- C14 H19 I N4 O4 -","- C56 H76 I4 N16 O16 -","4","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.0668","0.0424","","","0.0689","0.0775","","","","","","1.016","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034634","7.9222","0.0008","9.4296","0.0018","12.3121","0.0019","105.139","0.015","96.986","0.01","92.438","0.011","878.6","0.2","200.01","0.1","200.01","0.1","","","","","","","","5","P -1","-P 1","2","","3b","","- C17 H19 Ag N4 O4 -","- C17 H19 Ag N4 O4 -","- C34 H38 Ag2 N8 O8 -","2","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.1181","0.0774","","","0.1653","0.1792","","","","","","1.061","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034635","9.0608","0.0004","9.5485","0.0005","19.4525","0.0009","87.707","0.004","84.198","0.004","82.717","0.004","1660.21","0.14","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","3c","","- C14 H22 Ag N4 O4.5 -","- C14 H22 Ag N4 O4.5 -","- C56 H88 Ag4 N16 O18 -","4","2","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.0447","0.0331","","","0.0712","0.0764","","","","","","1.022","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7034636","8.717","0.0006","9.9462","0.0006","10.2712","0.0009","82.181","0.006","86.063","0.006","67.816","0.006","816.79","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","3d","","- C16 H17 Ag N4 O4 -","- C16 H17 Ag N4 O4 -","- C32 H34 Ag2 N8 O8 -","2","1","","Mohamed, Heba A.; Lake, Benjamin R. M.; Laing, Thomas; Phillips, Roger M.; Willans, Charlotte E.","Synthesis and anticancer activity of silver(i)-N-heterocyclic carbene complexes derived from the natural xanthine products caffeine, theophylline and theobromine.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7563","7569","10.1039/c4dt03679d","","","0.71073","MoKα","","0.0531","0.043","","","0.0756","0.0836","","","","","","1.043","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034637","10.479959","0.000085","10.479959","0.000085","10.479959","0.000085","90","","90","","90","","1151.01","0.016","300","","300","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba3 Eu O12 P3 -","- Ba3 Eu O12 P3 -","- Ba12 Eu4 O48 P12 -","4","0.0833333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; Atuchin, Victor V.","Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7679","7686","10.1039/c4dt03887h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.75","0.904","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7034638","10.12028","0.00015","10.12028","0.00015","10.12028","0.00015","90","","90","","90","","1036.52","0.03","300","","300","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Eu O12 P3 Sr3 -","- Eu O12 P3 Sr3 -","- Eu4 O48 P12 Sr12 -","4","0.0833333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; Atuchin, Victor V.","Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7679","7686","10.1039/c4dt03887h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.66","1.117","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7034639","25.8524","0.0015","13.7588","0.0008","27.0506","0.0016","90","","111.601","0.002","90","","8946.1","0.9","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Cu F6 N3 O P3 -","- C51 H39 Cu F6 N3 O P3 -","- C408 H312 Cu8 F48 N24 O8 P24 -","8","2","","Murray, Niamh S.; Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro","[Cu(N^N)(P^P)](+) complexes with 2,2':6',2''-terpyridine ligands as the N^N domain.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7626","7633","10.1039/c5dt00517e","","","1.54178","CuKα","","0.0336","0.0331","","0.0373","0.0352","0.0349","","","","","","1.0943","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034640","14.5733","0.0012","20.7239","0.0018","18.0544","0.0016","90","","105.53","0.005","90","","5253.6","0.8","123","","123","","","","","","","","N.S.Murray","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H51 Cu F6 N3 O2 P3 -","- C61 H51 Cu F6 N3 O2 P3 -","- C244 H204 Cu4 F24 N12 O8 P12 -","4","1","","Murray, Niamh S.; Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro","[Cu(N^N)(P^P)](+) complexes with 2,2':6',2''-terpyridine ligands as the N^N domain.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7626","7633","10.1039/c5dt00517e","","","1.54178","CuKα","","0.0896","0.0688","","0.1962","0.1864","0.1962","","","","","","0.9709","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034641","12.606","0.0019","12.9593","0.0019","18.631","0.003","82.317","0.002","88.815","0.002","71.173","0.002","2854.1","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 N3 Nd2 O57 Si W12 -","- C18 H31 N3 Nd2 O57 Si W12 -","- C36 H62 N6 Nd4 O114 Si2 W24 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Alipour, Mahboubeh; Bauzá, Antonio; Mague, Joel T.; Korabik, Maria; Frontera, Antonio","Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8824","8832","10.1039/c4dt03950e","","","0.71073","MoKα","","0.0998","0.0642","","","0.1483","0.1747","","","","","","1.034","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034642","9.1653","0.0005","7.2194","0.0004","20.4311","0.0011","90","","93.455","0.002","90","","1349.43","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 Cu2 N4 O2 -","- C22 H32 Cl4 Cu2 N4 O2 -","- C44 H64 Cl8 Cu4 N8 O4 -","2","0.5","","Sikdar, Yeasin; Modak, Ritwik; Bose, Dipayan; Banerjee, Saswati; Bieńko, Dariusz; Zierkiewicz, Wiktor; Bieńko, Alina; Das Saha, Krishna; Goswami, Sanchita","Doubly chloro bridged dimeric copper(ii) complex: magneto-structural correlation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8876","8888","10.1039/c5dt00752f","","","0.71073","MoKα","","0.0515","0.0441","","","0.1584","0.1688","","","","","","1.072","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034643","22.153","0.007","16.412","0.005","22.139","0.007","90","","90","","90","","8049","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H122 N6 O Si4 Zn4 -","- C70 H116 Hy6 N6 O Si4 Zn4 -","- C280 H464 Hy24 N24 O4 Si16 Zn16 -","4","1","","Roberts, Andrew J.; Clegg, William; Kennedy, Alan R.; Probert, Michael R.; Robertson, Stuart D.; Hevia, Eva","Two alternative approaches to access mixed hydride-amido zinc complexes: synthetic, structural and solution implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8169","8177","10.1039/c5dt00312a","","","0.6889","synchrotron","","0.0787","0.0629","","","0.1666","0.1767","","","","","","1.053","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034644","21.938","0.002","18.8738","0.0014","21.985","0.004","90","","119.304","0.015","90","","7938","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H60 N4 O0.5 Si4 Zn -","- C32.998 H60 N4 O0.5 Si3.9975 Zn -","- C263.984 H480 N32 O4 Si31.98 Zn8 -","8","2","","Roberts, Andrew J.; Clegg, William; Kennedy, Alan R.; Probert, Michael R.; Robertson, Stuart D.; Hevia, Eva","Two alternative approaches to access mixed hydride-amido zinc complexes: synthetic, structural and solution implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8169","8177","10.1039/c5dt00312a","","","0.71073","MoKα","","0.1557","0.07","","","0.1001","0.125","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034645","11.9943","0.0005","13.8275","0.0005","21.8642","0.0008","90","","90","","90","","3626.2","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 N3 Si2 Zn -","- C33 H55 N3 Si2 Zn -","- C132 H220 N12 Si8 Zn4 -","4","1","","Roberts, Andrew J.; Clegg, William; Kennedy, Alan R.; Probert, Michael R.; Robertson, Stuart D.; Hevia, Eva","Two alternative approaches to access mixed hydride-amido zinc complexes: synthetic, structural and solution implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8169","8177","10.1039/c5dt00312a","","","0.71073","MoKα","","0.0549","0.0399","","","0.07","0.076","","","","","","1.041","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034646","11.8993","0.0004","12.1898","0.0005","18.1111","0.0006","101.54","0.002","100.071","0.002","94.943","0.002","2514.19","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H65 Cl3 Co2 N8 O16 -","- C40 H65 Cl3 Co2 N8 O16 -","- C80 H130 Cl6 Co4 N16 O32 -","2","1","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.1496","0.0828","","","0.2103","0.2547","","","","","","1.093","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034647","39.4302","0.0015","9.1554","0.0004","30.0283","0.0012","90","","115.497","0.002","90","","9784.4","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H56 Cl3 Co2 N10 O13 -","- C39 H56 Cl3 Co2 N10 O13 -","- C312 H448 Cl24 Co16 N80 O104 -","8","1","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.1241","0.0788","","","0.1864","0.2134","","","","","","1.015","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034648","8.9461","0.0004","29.4146","0.0009","18.0171","0.0007","90","","90","","90","","4741.1","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H56 Cl2 Co2 N14 O9 -","- C36 H56 Cl2 Co2 N14 O9 -","- C144 H224 Cl8 Co8 N56 O36 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.1368","0.113","","","0.2937","0.3113","","","","","","1.12","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034649","24.1438","0.0005","17.6734","0.0003","10.6296","0.0002","90","","90","","90","","4535.68","0.15","200","2","200","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C37 H58 Cl4 Co2 N8 O13 -","- C37 H58 Cl4 Co2 N8 O13 -","- C148 H232 Cl16 Co8 N32 O52 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.0619","0.0563","","","0.1602","0.1666","","","","","","0.886","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034650","24.3318","0.0007","17.6327","0.0005","10.6002","0.0003","90","","90","","90","","4547.9","0.2","200","2","200","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C37 H58 Br Cl3 Co2 N8 O13 -","- C37 H58 Br Cl3 Co2 N8 O13 -","- C148 H232 Br4 Cl12 Co8 N32 O52 -","4","0.5","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.0687","0.0585","","","0.1639","0.1753","","","","","","0.957","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034651","11.2372","0.0006","14.505","0.0008","16.5974","0.0009","90","","92.909","0.003","90","","2701.8","0.3","200","2","200","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5 -","- C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5 -","- C89 H120 Cl Co6 N27 O10 S9 -","2","1","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.095","0.0562","","","0.1036","0.1163","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034652","10.7107","0.0002","14.7465","0.0003","15.1857","0.0003","108.5","0.001","93.433","0.001","94.351","0.001","2259.05","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H67 Cl5 N8 O3 -","- C37 H67 Cl5 N8 O3 -","- C74 H134 Cl10 N16 O6 -","2","1","","Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee","Inducing magnetic communication in caged dinuclear Co(ii) systems.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8649","8659","10.1039/c5dt00497g","","","0.71073","MoKα","","0.0967","0.0653","","","0.183","0.2066","","","","","","1.047","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034653","6.8767","0.0005","12.3829","0.0008","12.4219","0.0009","63.161","0.007","89.271","0.006","80.031","0.005","926.99","0.13","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H58 Cl6 N8 O6 -","- C24 H58 Cl6 N8 O6 -","- C24 H58 Cl6 N8 O6 -","1","0.5","","Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique","Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8255","8266","10.1039/c5dt00408j","","","0.71073","MoKα","","0.0556","0.0391","","","0.0829","0.0919","","","","","","1.028","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034654","9.0903","0.0003","18.9117","0.0006","13.8692","0.0004","90","","128.989","0.002","90","","1853.23","0.11","120","0.2","120.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cl2 Cu2 F6 N8 O6 S2 -","- C26 H40 Cl2 Cu2 F6 N8 O6 S2 -","- C52 H80 Cl4 Cu4 F12 N16 O12 S4 -","2","0.5","","Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique","Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8255","8266","10.1039/c5dt00408j","","","0.71073","MoKα","","0.0431","0.0303","","","0.0621","0.0668","","","","","","1.04","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034655","16.462","0.0003","13.545","0.0004","16.651","0.0006","90","","104.723","0.002","90","","3590.9","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl3 Cu2 N8 O15 -","- C24 H45 Cl3 Cu2 N8 O15 -","- C96 H180 Cl12 Cu8 N32 O60 -","4","1","","Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique","Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8255","8266","10.1039/c5dt00408j","","","0.71073","MoKα","","0.0706","0.0505","","","0.1281","0.14","","","","","","1.044","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034656","10.747","0.0002","14.267","0.0003","20.317","0.0004","90","","94.305","0.001","90","","3106.36","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl2 Cu N8 O8 -","- C24 H40 Cl2 Cu N8 O8 -","- C96 H160 Cl8 Cu4 N32 O32 -","4","1","","Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique","Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8255","8266","10.1039/c5dt00408j","","","0.71073","MoKα","","0.0738","0.054","","","0.1461","0.162","","","","","","1.018","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034657","9.622","0.0009","11.1463","0.001","16.4843","0.0015","92.508","0.002","105.399","0.002","109.514","0.002","1589.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H30 Cl2 Ir N2 P S -","- C37 H30 Cl2 Ir N2 P S -","- C74 H60 Cl4 Ir2 N4 P2 S2 -","2","1","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0413","0.0334","","","0.0779","0.0819","","","","","","1.047","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034658","14.995","0.01","18.277","0.012","17.451","0.011","90","","90","","90","","4783","5","296","2","296","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C50 H42 Cl5 Ir N2 P2 S -","- C50 H42 Cl5 Ir N2 P2 S -","- C200 H168 Cl20 Ir4 N8 P8 S4 -","4","0.5","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0277","0.0262","","","0.0627","0.0633","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034659","15.3746","0.0018","18.42","0.002","17.336","0.002","90","","90","","90","","4909.6","1","296","2","296","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C49 H40 Cl3 Ir N2 O2 P2 S -","- C49 H40 Cl3 Ir N2 O2 P2 S -","- C196 H160 Cl12 Ir4 N8 O8 P8 S4 -","4","0.5","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0291","0.025","","","0.0654","0.0665","","","","","","1.022","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034660","10.0719","0.0009","25.822","0.003","11.7857","0.0011","90","","102.538","0.003","90","","2992.1","0.5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H28 Br Cl Ir N2 P S -","- C33 H28 Br Cl Ir N2 P S -","- C132 H112 Br4 Cl4 Ir4 N8 P4 S4 -","4","2","","Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar","Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8625","8639","10.1039/c5dt00448a","","","0.71073","MoKα","","0.0763","0.06","","","0.1381","0.1451","","","","","","1.074","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034661","18.852","0.009","18.852","0.009","18.852","0.009","90","","90","","90","","6700","6","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 Cd3 H38 O76 V12 -","- B18 Cd3 H18 O76 V12 -","- B72 Cd12 H72 O304 V48 -","4","0.166667","","Feng, Yuquan; Qiu, Dongfang; Fan, Huitao; Li, Min; Huang, Qunzeng; Shi, Hengzhen","A new 3-D open-framework cadmium borovanadate with plane-shaped channels and high catalytic activity for the oxidation of cyclohexanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8792","8796","10.1039/c5dt00873e","","","0.71073","MoKα","","0.1468","0.0936","","","0.1828","0.1991","","","","","","1.039","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034662","23.4183","0.0007","12.9661","0.0003","22.7238","0.0007","90","","109.508","0.002","90","","6503.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 Cu3 N7 O46 Si W12 -","- C36 H28 Cu3 N7 O46 Si W12 -","- C144 H112 Cu12 N28 O184 Si4 W48 -","4","1","","Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing","Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8971","8983","10.1039/c5dt00201j","","","0.71073","MoKα","","0.0991","0.0447","","","0.0925","0.1164","","","","","","1.009","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034663","11.702","0.002","14.419","0.003","18.071","0.004","71.19","0.03","88.84","0.03","80.19","0.03","2842.1","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H68 Cl6 Cu6 N14 O50 Si W12 -","- C84 H56 Cl6 Cu6 N14 O50 Si W12 -","- C84 H56 Cl6 Cu6 N14 O50 Si W12 -","1","0.5","","Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing","Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8971","8983","10.1039/c5dt00201j","","","0.71073","MoKα","","0.0666","0.0558","","","0.1232","0.1295","","","","","","1.007","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034664","15.07","0.004","13.496","0.003","18.814","0.005","90","","90.953","0.004","90","","3826","1.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl2 Cu4 N10 O46 Si W12 -","- C52 H38 Cl2 Cu4 N10 O46 Si W12 -","- C104 H76 Cl4 Cu8 N20 O92 Si2 W24 -","2","0.5","","Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing","Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8971","8983","10.1039/c5dt00201j","","","0.71073","MoKα","","0.1086","0.1076","","","0.23","0.2304","","","","","","1.054","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034665","12.186","0.002","12.977","0.003","14.887","0.003","102.93","0.03","91.43","0.03","102.46","0.03","2233.8","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 Cl4 Cu4 N10 O44 Si W12 -","- C60 H40 Cl4 Cu4 N10 O44 Si W12 -","- C60 H40 Cl4 Cu4 N10 O44 Si W12 -","1","0.5","","Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing","Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8971","8983","10.1039/c5dt00201j","","","0.71073","MoKα","","0.1007","0.1001","","","0.2179","0.2181","","","","","","1.007","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034666","14.797","0.003","13.334","0.003","23.821","0.007","90","","126.2","0.02","90","","3792.7","1.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl2 Cu4 N10 O44 Si W12 -","- C52 H40 Cl2 Cu4 N10 O44 Si W12 -","- C104 H80 Cl4 Cu8 N20 O88 Si2 W24 -","2","0.5","","Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing","Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8971","8983","10.1039/c5dt00201j","","","0.71073","MoKα","","0.0945","0.0894","","","0.2027","0.2051","","","","","","1.063","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034667","15.981","0.007","15.981","0.007","15.981","0.007","90","","90","","90","","4081","3","173","2","173","2","","","","","","","","8","F m -3","-F 2 2 3","202","","","","- F12 Ge H21.62 K2.79 Mn6 Na8 O41.21 P8 -","- F12 Ge K2.79 Mn6 Na8 O41.2076 P8 -","- F48 Ge4 K11.16 Mn24 Na32 O164.83 P32 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0493","0.0421","","","0.1162","0.1212","","","","","","1.1","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034668","15.968","0.002","15.968","0.002","15.968","0.002","90","","90","","90","","4071.5","0.9","173","2","173","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- F12 H18.78 K3.74 Mn7 Na8 O40.26 P8 -","- F12 K3.738 Mn7 Na8 O40.262 P8 -","- F48 K14.952 Mn28 Na32 O161.048 P32 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0378","0.0329","","","0.1038","0.1057","","","","","","1.184","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034669","16.0001","0.0002","16.0001","0.0002","16.0001","0.0002","90","","90","","90","","4096.08","0.09","173","2","173","2","","","","","","","","8","F m -3","-F 2 2 3","202","","","","- F12 H21.1 K2.97 Mn6 Na8 O41.03 P8 Ti -","- F12 K2.964 Mn6 Na8 O41.0384 P8 Ti -","- F48 K11.856 Mn24 Na32 O164.154 P32 Ti4 -","4","0.0416667","","Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7960","7966","10.1039/c5dt00646e","","","0.71073","MoKα","","0.0426","0.0365","","","0.1071","0.1118","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034670","7.7287","0.0009","24.374","0.003","9.3149","0.0011","90","","102.31","0.003","90","","1714.4","0.4","135","2","135","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F24 -","- C32 H26 F24 -","- C64 H52 F48 -","2","0.5","","Dudkina, Yulia B.; Gryaznova, Tatyana V.; Osin, Yuri N.; Salnikov, Vadim V.; Davydov, Nikolay A.; Fedorenko, Svetlana V.; Mustafina, Asia R.; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia H.","Nanoheterogeneous catalysis in electrochemically induced olefin perfluoroalkylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8833","8838","10.1039/c5dt00269a","","x-ray","0.71073","MoKα","","0.0696","0.0544","","","0.1396","0.1537","","","","","","1.073","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034671","27.503","0.002","11.0537","0.0009","11.5143","0.0009","90","","99.686","0.002","90","","3450.6","0.5","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F24 -","- C32 H26 F24 -","- C128 H104 F96 -","4","1","","Dudkina, Yulia B.; Gryaznova, Tatyana V.; Osin, Yuri N.; Salnikov, Vadim V.; Davydov, Nikolay A.; Fedorenko, Svetlana V.; Mustafina, Asia R.; Vicic, David A.; Sinyashin, Oleg G.; Budnikova, Yulia H.","Nanoheterogeneous catalysis in electrochemically induced olefin perfluoroalkylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8833","8838","10.1039/c5dt00269a","","x-ray","0.71073","MoKα","","0.1366","0.0735","","","0.2002","0.2405","","","","","","1.043","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034672","17.0142","0.0014","17.3392","0.0015","20.1081","0.0014","68.901","0.007","71.772","0.007","61","0.009","4770.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C97.4 H81.4 Ag3 Cl0.6 Hg2 P3 S7 -","- C97.4 H81.4 Ag3 Cl0.6 Hg2 P3 S7 -","- C194.8 H162.8 Ag6 Cl1.2 Hg4 P6 S14 -","2","1","","Gupta, Geetika; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Geometrically unprecedented 3-, 5- and 7-membered Hg(ii)-Cu(i) and Hg(ii)-Ag(i) thiolate clusters: precursors to intermetallics.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8932","8937","10.1039/c4dt03500c","","","0.71073","MoKα","","0.1319","0.0676","","","0.1546","0.1686","","","","","","0.882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034673","24.3852","0.0006","16.4533","0.0004","26.4195","0.0009","90","","105.248","0.003","90","","10226.8","0.5","293","2","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C106 H93 Ag0 Cu5 Hg2 O0 P4 S9 -","- C106 H93 Cu5 Hg2 P4 S9 -","- C424 H372 Cu20 Hg8 P16 S36 -","4","1","","Gupta, Geetika; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Geometrically unprecedented 3-, 5- and 7-membered Hg(ii)-Cu(i) and Hg(ii)-Ag(i) thiolate clusters: precursors to intermetallics.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8932","8937","10.1039/c4dt03500c","","","0.71073","MoKα","","0.1801","0.0774","","","0.1517","0.1969","","","","","","1.014","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034674","24.3971","0.0007","12.6719","0.0003","14.5724","0.0005","90","","92.764","0.003","90","","4499.9","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H15 B F30 -","- C49.5 H15 B F30 -","- C198 H60 B4 F120 -","4","1","","Hill, Peter J.; Herrington, Thomas J.; Rees, Nicholas H.; White, Andrew J. P.; Ashley, Andrew E.","H2 activation by a highly electron-deficient aralkylated organoborane.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8984","8992","10.1039/c5dt00821b","","","0.71073","MoKα","","0.1244","0.0878","","","0.2337","0.2535","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034675","22.877","0.003","23.111","0.003","18.364","0.002","90","","105.399","0.002","90","","9361","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 Cu4 N10 O31 -","- C44 H64 Cu4 N10 O31 -","- C176 H256 Cu16 N40 O124 -","4","0.5","","Hou, Chaoyi; Bai, Yue-Ling; Bao, XiaoLi; Xu, Liangzhen; Lin, Rong-Guang; Zhu, Shourong; Fang, Jianhui; Xu, Jiaqiang","A metal-organic framework constructed using a flexible tripodal ligand and tetranuclear copper cluster for sensing small molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7770","7773","10.1039/c5dt00762c","","","0.71073","MoKα","","0.0878","0.054","","","0.1413","0.154","","","","","","0.948","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034676","9.324","0.005","11.439","0.005","12.29","0.005","67.236","0.005","77.689","0.005","80.129","0.005","1175.2","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H34 N6 -","- C25 H34 N6 -","- C50 H68 N12 -","2","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.1733","0.065","","","0.1367","0.1785","","","","","","0.981","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034677","9.48","0.003","11.937","0.003","12.185","0.004","93.786","0.009","107.308","0.009","111.81","0.008","1197.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 N6 -","- C26 H34 N6 -","- C52 H68 N12 -","2","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.101","0.0535","","","0.1294","0.1519","","","","","","1.024","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034678","13.881","0.005","14.747","0.005","14.992","0.005","94.048","0.005","95.837","0.005","105.845","0.005","2921.4","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H70 Ag2 B2 Cl2 F8 N12 -","- C51 H70 Ag2 B2 Cl2 F8 N12 -","- C102 H140 Ag4 B4 Cl4 F16 N24 -","2","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.2173","0.0709","","","0.1354","0.1894","","","","","","0.958","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034679","12.5254","0.0018","12.5882","0.0018","19.034","0.003","86.019","0.005","89.755","0.005","65.575","0.004","2725","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H68 Ag2 B2 F8 N12 -","- C52 H68 Ag2 B2 F8 N12 -","- C104 H136 Ag4 B4 F16 N24 -","2","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.137","0.0659","","","0.157","0.1967","","","","","","1.032","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034680","9.8269","0.0014","21.536","0.003","13.757","0.002","90","","106.645","0.004","90","","2789.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cu I N6 -","- C25 H34 Cu I N6 -","- C100 H136 Cu4 I4 N24 -","4","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.1473","0.0731","","","0.1563","0.1877","","","","","","1.109","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034681","12.737","0.003","15.497","0.003","17.031","0.004","85.626","0.006","76.215","0.007","81.105","0.006","3222.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl4 N16 Pd2 -","- C58 H80 Cl4 N16 Pd2 -","- C116 H160 Cl8 N32 Pd4 -","2","1","","Guchhait, Tapas; Barua, Bhagyasree; Biswas, Aritra; Basak, Biswanath; Mani, Ganesan","Synthesis and structural characterization of silver(i), copper(i) coordination polymers and a helicate palladium(ii) complex of dipyrrolylmethane-based dipyrazole ligands: the effect of meso substituents on structural formation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9091","9102","10.1039/c5dt00430f","","","0.71073","MoKα","","0.098","0.067","","","0.1856","0.21","","","","","","1.031","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034682","13.3069","0.001","25.629","0.002","9.856","0.0008","90","","91.455","0.008","90","","3360.2","0.5","133.2","0.5","133.2","0.5","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 Cl3 Cu4 N6 O6 -","- C18 H12 Cl3 Cu4 N6 O6 -","- C72 H48 Cl12 Cu16 N24 O24 -","4","1","","Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng","Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8926","8931","10.1039/c5dt00994d","","","0.71073","MoKα","","0.0353","0.033","","","0.0874","0.0891","","","","","","1.034","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034683","7.0918","0.0003","28.8888","0.0015","19.0752","0.0006","90","","90","","90","","3908","0.3","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C18 H12 Cl1.38 Cu2 N6 O4 -","- C18 H12 Cl1.375 Cu2 N6 O4 -","- C72 H48 Cl5.5 Cu8 N24 O16 -","4","0.25","","Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng","Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8926","8931","10.1039/c5dt00994d","","","0.71073","MoKα","","0.0714","0.0623","","","0.197","0.2075","","","","","","1.118","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034684","15.8022","0.0007","24.029","0.0012","21.3108","0.0008","90","","90","","90","","8091.9","0.6","293","2","293","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C54 H38 Cl7 Cu8 N18 O18 -","- C54 H38 Cl7 Cu8 N18 O18 -","- C216 H152 Cl28 Cu32 N72 O72 -","4","0.25","","Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng","Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8926","8931","10.1039/c5dt00994d","","","0.71073","MoKα","","0.0452","0.0402","","","0.1117","0.1152","","","","","","1.074","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034685","8.4818","0.0013","9.6687","0.0013","18.0093","0.0018","90","0.01","92.415","0.015","90","0.011","1475.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N7 -","- C14 H12 Cl N7 -","- C56 H48 Cl4 N28 -","4","1","","Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8855","8866","10.1039/c5dt00550g","","","0.71073","MoKα","","0.119","0.0529","","","0.1063","0.1274","","","","","","1.012","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034686","15.7272","0.0011","15.956","0.006","7.2702","0.0018","90","","97.601","0.014","90","","1808.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cl3 N7 Zn -","- C14 H12 Cl3 N7 Zn -","- C56 H48 Cl12 N28 Zn4 -","4","0.5","","Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8855","8866","10.1039/c5dt00550g","","","0.71073","MoKα","","0.0703","0.04","","","0.0754","0.0834","","","","","","1.176","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034687","15.881","0.003","16.059","0.003","7.3571","0.0006","90","","94.686","0.009","90","","1870","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cd Cl3 N7 -","- C14 H12 Cd Cl3 N7 -","- C56 H48 Cd4 Cl12 N28 -","4","0.5","","Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8855","8866","10.1039/c5dt00550g","","","0.71073","MoKα","","0.1115","0.0514","","","0.0834","0.0971","","","","","","1.004","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034688","15.5753","0.0011","16.0648","0.001","7.3196","0.0005","90","","94.87","0.007","90","","1824.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cl3 Mn N7 -","- C14 H12 Cl3 Mn N7 -","- C56 H48 Cl12 Mn4 N28 -","4","0.5","","Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8855","8866","10.1039/c5dt00550g","","","0.71073","MoKα","","0.1136","0.044","","","0.0656","0.0808","","","","","","1.006","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034689","15.4148","0.0007","16.0564","0.0009","7.2026","0.0004","90","","95.494","0.004","90","","1774.5","0.16","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cl3 Co N7 -","- C14 H12 Cl3 Co N7 -","- C56 H48 Cl12 Co4 N28 -","4","0.5","","Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8855","8866","10.1039/c5dt00550g","","","0.71073","MoKα","","0.1577","0.0587","","","0.0781","0.0962","","","","","","1.002","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034690","5.8129","0.0001","11.4171","0.0001","19.4879","0.0003","90","","90","","90","","1293.34","0.03","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N2 O4 Re -","- C11 H13 N2 O4 Re -","- C44 H52 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0203","0.0183","","","0.0314","0.0319","","","","","","0.985","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034691","8.0076","0.0005","9.478","0.0005","10.6971","0.0006","65.571","0.002","77.076","0.002","68.508","0.002","685.29","0.07","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H15 N2 O4 Re -","- C12 H15 N2 O4 Re -","- C24 H30 N4 O8 Re2 -","2","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0151","0.015","","","0.0386","0.0387","","","","","","1.218","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034692","11.0896","0.0002","14.4508","0.0002","18.4542","0.0003","90","","90","","90","","2957.35","0.08","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N2 O4 Re -","- C13 H17 N2 O4 Re -","- C104 H136 N16 O32 Re8 -","8","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0282","0.0187","","","0.0366","0.0395","","","","","","1.008","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034693","12.2997","0.0003","8.3808","0.0002","16.4451","0.0003","90","","111.587","0.001","90","","1576.28","0.06","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N2 O4 Re -","- C14 H19 N2 O4 Re -","- C56 H76 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.026","0.0182","","","0.0347","0.0367","","","","","","1.023","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034694","8.0372","0.0002","10.1535","0.0002","17.2223","0.0003","90","","90.5967","0.0008","90","","1405.36","0.05","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F5 N2 O4 Re -","- C11 H8 F5 N2 O4 Re -","- C44 H32 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0138","0.0135","","","0.0316","0.0317","","","","","","1.241","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034695","13.197","0.0002","9.4355","0.0002","24.8443","0.0005","90","","96.309","0.001","90","","3074.88","0.1","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 F5 N2 O4 Re -","- C12 H10 F5 N2 O4 Re -","- C96 H80 F40 N16 O32 Re8 -","8","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0226","0.0168","","","0.0352","0.0367","","","","","","1.058","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034696","10.3689","0.0003","18.6571","0.0007","8.4223","0.0003","90","","90","","90","","1629.32","0.1","123","","123","","","","","","","","see text","6","P n a 21","P 2c -2n","33","","","","- C13 H12 F5 N2 O4 Re -","- C13 H12 F5 N2 O4 Re -","- C52 H48 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0442","0.0287","","","0.0441","0.0478","","","","","","0.974","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034697","9.6255","0.0003","11.6206","0.0004","15.4559","0.0005","90","","90","","90","","1728.81","0.1","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 F5 N2 O4 Re -","- C14 H14 F5 N2 O4 Re -","- C56 H56 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0221","0.0205","","","0.047","0.0474","","","","","","1.032","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034698","7.742","0.0003","9.7001","0.0003","12.1493","0.0004","77.4846","0.0014","85.324","0.0014","72.6881","0.0013","850.22","0.05","173","","173","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H17 N2 O4 Re -","- C17 H17 N2 O4 Re -","- C34 H34 N4 O8 Re2 -","2","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0203","0.0196","","","0.0519","0.0524","","","","","","1.089","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034699","8.3467","0.0002","10.5776","0.0003","20.3571","0.0006","90","","100.458","0.001","90","","1767.43","0.08","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F5 N2 O4 Re -","- C17 H12 F5 N2 O4 Re -","- C68 H48 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.014","0.0131","","","0.029","0.0293","","","","","","1.165","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034700","6.5996","0.0002","12.4519","0.0003","23.9499","0.0006","90","","90","","90","","1968.14","0.09","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H7 F10 N2 O4 Re -","- C17 H7 F10 N2 O4 Re -","- C68 H28 F40 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0219","0.0185","","","0.0351","0.0358","","","","","","1.017","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034701","25.5938","0.0006","19.9423","0.0004","32.2211","0.0006","90","","90","","90","","16445.6","0.6","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H75 Cl4 Cu8 N8 O16 -","- C56 H75 Cl4 Cu8 N8 O16 -","- C448 H600 Cl32 Cu64 N64 O128 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.71073","MoKα","","0.1003","0.0765","","","0.1738","0.191","","","","","","1.086","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034702","20.2162","0.0004","20.2162","0.0004","16.8492","0.0003","90","","90","","120","","5963.6","0.2","170","","170","","","","","","","","","6","P 62","P 62","171","","","","- C56 H76 Cl0.79 Cu8 N11.21 O25.62 -","- C56 H76 Cl0.8 Cu8 N11.2 O25.6 -","- C168 H228 Cl2.4 Cu24 N33.6 O76.8 -","3","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.7107","MoKα","","0.0436","0.0378","","","0.1083","0.1126","","","","","","1.089","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034703","23.3511","0.0004","17.1783","0.0002","26.251","0.0005","90","","101.024","0.0017","90","","10335.8","0.3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90.78 H129.13 B2 Cu8 F8 N12 O24.78 -","- C90.7828 H129.128 B2 Cu8 F8 N12 O24.7822 -","- C363.131 H516.512 B8 Cu32 F32 N48 O99.1288 -","4","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.7107","MoKα","","0.0579","0.041","","","0.0946","0.1035","","","","","","1.037","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034704","25.299","0.0005","20.7375","0.0004","32.5445","0.0008","90","","90","","90","","17074.1","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H120 Cu8 N20 O27 -","- C56 H76 Cu8 N20 O16 -","- C448 H608 Cu64 N160 O128 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","1.54184","CuKα","","0.1251","0.0956","","","0.2426","0.2636","","","","","","1.07","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034705","14.5984","0.0003","26.6204","0.0007","18.8428","0.0004","90","","104.153","0.002","90","","7100.3","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 Cu6 N8 O16 -","- C56 H76 Cu6 N8 O16 -","- C224 H304 Cu24 N32 O64 -","4","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","1.54184","CuKα","","0.061","0.0486","","","0.1316","0.141","","","","","","1.056","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034706","15.2213","0.0003","26.3669","0.0006","17.2409","0.0004","90","","93.295","0.002","90","","6908","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58.5 H84 Cu4 N8 Na2 O18.5 -","- C56 H78 Cu4 N8 Na2 O16 -","- C224 H312 Cu16 N32 Na8 O64 -","4","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.71073","MoKα","","0.0788","0.0472","","","0.0953","0.1062","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034707","37.5708","0.00016","37.5708","0.00016","37.5708","0.00016","90","","90","","90","","53033.6","0.4","120","","120","","","","","","","","","5","P n -3 n","-P 4a 2bc 3","222","","","","- C69 H108 Cu8 N8 O29 -","- C64 H88 Cu8 N8 O24 -","- C1536 H2112 Cu192 N192 O576 -","24","","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.0575","0.0467","","","0.1303","0.1404","","","","","","1.063","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034708","15.7411","0.0001","20.1289","0.0001","51.7316","0.0005","90","","93.282","0.001","90","","16364.3","0.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H104 Cl4 Cu8 N8 O18 -","- C68 H104 Cl4 Cu8 N8 O18 -","- C544 H832 Cl32 Cu64 N64 O144 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1547","0.158","","","","","","1.134","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034709","15.82","0.0004","20.0425","0.0004","51.3059","0.0014","90","","93.223","0.002","90","","16242","0.7","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C132 H198 Br8 Cu16 N16 O35 -","- C132 H198 Br8 Cu16 N16 O35 -","- C528 H792 Br32 Cu64 N64 O140 -","4","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.1013","0.0769","","","0.2035","0.2205","","","","","","1.066","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034710","15.228","0.003","15.228","0.003","28.791","0.005","90","","90","","90","","6676","2","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","Zr-TCPS","","- C28 H16 O16 Si Zr3 -","- C28 H16 O16 Si Zr3 -","- C112 H64 O64 Si4 Zr12 -","4","0.25","","Wang, Shufen; Wang, Jingjing; Cheng, Weiwei; Yang, Xiaowei; Zhang, Zaiyong; Xu, Yan; Liu, Hongke; Wu, Yong; Fang, Min","A Zr metal-organic framework based on tetrakis(4-carboxyphenyl) silane and factors affecting the hydrothermal stability of Zr-MOFs.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8049","8061","10.1039/c5dt00421g","","","0.71073","MoKα","","0.0385","0.0343","","","0.109","0.1114","","","","","","1.165","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034711","12.8121","0.0004","10.0581","0.0004","29.6866","0.0009","90","","90","","90","","3825.6","0.2","230.01","0.1","230.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0604","0.0507","","","0.1372","0.1449","","","","","","1.068","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034712","12.8112","0.0005","10.0738","0.0004","29.6623","0.0011","90","","90","","90","","3828.1","0.3","250","0.1","250","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0708","0.0549","","","0.1377","0.1497","","","","","","1.037","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034713","12.8042","0.0006","10.6288","0.0006","28.3592","0.0014","90","","90","","90","","3859.5","0.3","270","0.1","270","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0808","0.0636","","","0.1754","0.191","","","","","","1.099","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034714","12.8371","0.0006","10.6474","0.0005","28.4181","0.0013","90","","90","","90","","3884.2","0.3","298","0.1","298","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.0877","0.0585","","","0.1635","0.1897","","","","","","1.058","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034715","12.9544","0.0008","10.7221","0.0008","28.685","0.002","90","","90","","90","","3984.3","0.5","420","0.11","420","0.11","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H22 F6 Fe N10 S2 -","- C42 H22 F6 Fe N10 S2 -","- C168 H88 F24 Fe4 N40 S8 -","4","0.5","","Yang, Qian; Cheng, Xin; Wang, YeXin; Wang, BingWu; Wang, ZheMing; Gao, Song","Two-step magnetic switching in a mononuclear iron(ii) complex around room temperature.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8938","8941","10.1039/c5dt00585j","","","0.7107","MoKα","","0.1099","0.0627","","","0.1768","0.2127","","","","","","1.021","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034716","14.11","0.003","16.918","0.003","25.38","0.004","99.378","0.003","90.744","0.004","105.488","0.003","5750.3","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H157 Gd5 N2 O47 P6 -","- C84 H157 Gd5 N2 O47 P6 -","- C168 H314 Gd10 N4 O94 P12 -","2","1","","Gupta, Sandeep K.; Dar, Aijaz A.; Rajeshkumar, Thayalan; Kuppuswamy, Subramaniam; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Discrete {Gd(III)4M} (M = Gd(III) or Co(II)) pentanuclear complexes: a new class of metal-organophosphate molecular coolers.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5961","5965","10.1039/c4dt03655g","","","0.71075","MoKα","","0.0596","0.0552","","","0.1244","0.1302","","","","","","1.145","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034717","15.558","0.004","51.036","0.013","16.038","0.005","90","","111.128","0.004","90","","11878","6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H148 Co Gd4 O34 P6 S6 -","- C86 H146 Co Gd4 O34 P6 S6 -","- C344 H584 Co4 Gd16 O136 P24 S24 -","4","1","","Gupta, Sandeep K.; Dar, Aijaz A.; Rajeshkumar, Thayalan; Kuppuswamy, Subramaniam; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Discrete {Gd(III)4M} (M = Gd(III) or Co(II)) pentanuclear complexes: a new class of metal-organophosphate molecular coolers.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","5961","5965","10.1039/c4dt03655g","","","0.71075","MoKα","","0.1655","0.1448","","","0.2593","0.2713","","","","","","1.289","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034718","8.0534","0.0002","13.6581","0.0004","14.1481","0.0004","100.097","0.002","97.841","0.002","96.84","0.002","1501.38","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H47 B F4 N6 O Ru -","- C27 H47 B F4 N6 O Ru -","- C54 H94 B2 F8 N12 O2 Ru2 -","2","1","","Glöge, Thomas; Jess, Kristof; Bannenberg, Thomas; Jones, Peter G.; Langenscheidt-Dabringhausen, Nadine; Salzer, Albrecht; Tamm, Matthias","16-Electron pentadienyl- and cyclopentadienyl-ruthenium half-sandwich complexes with bis(imidazol-2-imine) ligands and their use in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11717","11724","10.1039/c5dt01080b","","","0.71073","MoKα","","0.0466","0.0313","","","0.0605","0.0621","","","","","","0.885","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034719","7.4989","0.0005","11.8261","0.0004","17.625","0.0008","100.627","0.003","95.959","0.004","97.082","0.004","1511.62","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H47 B F4 N6 O Ru -","- C27 H47 B F4 N6 O Ru -","- C54 H94 B2 F8 N12 O2 Ru2 -","2","1","","Glöge, Thomas; Jess, Kristof; Bannenberg, Thomas; Jones, Peter G.; Langenscheidt-Dabringhausen, Nadine; Salzer, Albrecht; Tamm, Matthias","16-Electron pentadienyl- and cyclopentadienyl-ruthenium half-sandwich complexes with bis(imidazol-2-imine) ligands and their use in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11717","11724","10.1039/c5dt01080b","","","0.71073","MoKα","","0.0365","0.0258","","","0.0544","0.0554","","","","","","0.938","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034720","15.7948","0.0002","14.0426","0.0004","31.497","0.0009","90","","99.176","0.002","90","","6896.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 B F4 N6 Ru -","- C31 H55 B F4 N6 Ru -","- C248 H440 B8 F32 N48 Ru8 -","8","2","","Glöge, Thomas; Jess, Kristof; Bannenberg, Thomas; Jones, Peter G.; Langenscheidt-Dabringhausen, Nadine; Salzer, Albrecht; Tamm, Matthias","16-Electron pentadienyl- and cyclopentadienyl-ruthenium half-sandwich complexes with bis(imidazol-2-imine) ligands and their use in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11717","11724","10.1039/c5dt01080b","","","0.71073","MoKα","","0.0565","0.0418","","","0.0944","0.0971","","","","","","1.108","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034721","18.4902","0.0004","11.6717","0.0002","15.5756","0.0002","90","","110.188","0.002","90","","3154.9","0.1","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C29 H49 B F4 N6 Ru -","- C29 H49 B F4 N6 Ru -","- C116 H196 B4 F16 N24 Ru4 -","4","1","","Glöge, Thomas; Jess, Kristof; Bannenberg, Thomas; Jones, Peter G.; Langenscheidt-Dabringhausen, Nadine; Salzer, Albrecht; Tamm, Matthias","16-Electron pentadienyl- and cyclopentadienyl-ruthenium half-sandwich complexes with bis(imidazol-2-imine) ligands and their use in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11717","11724","10.1039/c5dt01080b","","","0.71073","MoKα","","0.0408","0.026","","","0.0532","0.0546","","","","","","0.888","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034722","9.861","0.001","10.3668","0.001","19.485","0.002","93.404","0.002","91.461","0.002","100.058","0.001","1956.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B9 Cl4 N P2 Rh S -","- C33 H41 B9 Cl4 N P2 Rh S -","- C66 H82 B18 Cl8 N2 P4 Rh2 S2 -","2","1","","Mateo, Ana C.; Calvo, Beatriz; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.","[1,1-(η(2)-dppe)-3-(NC5H5)-closo-1,2-RhSB9H8]: conformational lability and reactivity with H2 upon protonation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9004","9013","10.1039/c5dt00288e","","","0.71073","MoKα","","0.0396","0.0303","","","0.0691","0.0731","","","","","","1.044","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034723","11.2683","0.0015","20.906","0.003","39.689","0.005","90","","91.817","0.002","90","","9345","2","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 B9 Cl2 F6 N O6 P2 Rh S3 -","- C34 H37 B9 Cl2 F6 N O6 P2 Rh S3 -","- C272 H296 B72 Cl16 F48 N8 O48 P16 Rh8 S24 -","8","1","","Mateo, Ana C.; Calvo, Beatriz; Macías, Ramón; Artigas, María José; Lahoz, Fernando J.; Oro, Luis A.","[1,1-(η(2)-dppe)-3-(NC5H5)-closo-1,2-RhSB9H8]: conformational lability and reactivity with H2 upon protonation.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9004","9013","10.1039/c5dt00288e","","","0.71073","MoKα","","0.1329","0.1114","","","0.2482","0.2554","","","","","","1.272","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034724","13.287","0.002","27.558","0.005","6.9232","0.0017","90","","111.421","0.013","90","","2359.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C19 H24 B Cl Cu F4 N5 -","- C19 H24 B Cl Cu F4 N5 -","- C76 H96 B4 Cl4 Cu4 F16 N20 -","4","0.5","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0942","0.078","","","0.2007","0.2123","","","","","","1.151","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034725","8.92176","0.00015","12.8949","0.0003","14.9606","0.0003","90","","102.057","0.0019","90","","1683.18","0.06","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 B Cl Cu F4 N4 -","- C14 H18 B Cl Cu F4 N4 -","- C56 H72 B4 Cl4 Cu4 F16 N16 -","4","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0305","0.0257","","","0.0675","0.0693","","","","","","1.08","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034726","7.45273","0.00018","11.2448","0.0003","12.3634","0.0003","65.993","0.003","74.934","0.002","88.273","0.002","910.58","0.05","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H19 B Cl Cu F4 N3 S -","- C15 H19 B Cl Cu F4 N3 S -","- C30 H38 B2 Cl2 Cu2 F8 N6 S2 -","2","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0197","0.0187","","","0.0486","0.0491","","","","","","1.043","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034727","13.4189","0.0004","12.5086","0.0003","12.8357","0.0005","90","","116.644","0.004","90","","1925.71","0.12","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 B Cl Cu F4 N3 S -","- C16 H21 B Cl Cu F4 N3 S -","- C64 H84 B4 Cl4 Cu4 F16 N12 S4 -","4","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","1.54178","CuKα","","0.0455","0.0368","","","0.0889","0.093","","","","","","1.041","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034728","13.6254","0.0003","13.2651","0.0003","22.7359","0.0005","90","","102.954","0.002","90","","4004.76","0.16","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Cl6 Cu3 N6 S2 -","- C32 H42 Cl6 Cu3 N6 S2 -","- C128 H168 Cl24 Cu12 N24 S8 -","4","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0573","0.0447","","","0.1218","0.129","","","","","","1.051","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034729","13.0671","0.0003","20.2293","0.0005","7.40187","0.00015","90","","101.66","0.002","90","","1916.22","0.08","110","2","110","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H21 B Cl Cu F4 N3 S -","- C16 H21 B Cl Cu F4 N3 S -","- C64 H84 B4 Cl4 Cu4 F16 N12 S4 -","4","0.5","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","1.54178","CuKα","","0.0346","0.0327","","","0.0861","0.0879","","","","","","1.046","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034730","9.11412","0.0001","15.17627","0.00013","15.3106","0.00015","90","","102.61","0.001","90","","2066.65","0.04","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Cl Cu F4 N3 S -","- C17 H23 B Cl Cu F4 N3 S -","- C68 H92 B4 Cl4 Cu4 F16 N12 S4 -","4","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","1.54178","CuKα","","0.025","0.024","","","0.0635","0.0641","","","","","","1.054","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034731","10.0603","0.0008","23.2653","0.0015","14.5686","0.0009","90","","100.321","0.007","90","","3354.7","0.4","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 B2 Cl2 Cu2 F8 N6 S -","- C28 H32 B2 Cl2 Cu2 F8 N6 S -","- C112 H128 B8 Cl8 Cu8 F32 N24 S4 -","4","0.5","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0621","0.0538","","","0.1394","0.1452","","","","","","1.029","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034732","12.4006","0.0002","13.1923","0.0003","14.4294","0.0004","104.022","0.002","107.238","0.002","99.515","0.0018","2114.51","0.09","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 B2 Cl2 Cu2 F8 N8 S2 -","- C32 H38 B1.999 Cl2 Cu2 F7.996 N8 S2 -","- C64 H76 B3.998 Cl4 Cu4 F15.992 N16 S4 -","2","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0266","0.0231","","","0.062","0.063","","","","","","1.074","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034733","21.2487","0.0005","12.6146","0.0002","14.6206","0.0004","90","","110.2","0.003","90","","3677.92","0.16","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl2 Cu N3 O4 S -","- C15 H18 Cl2 Cu N3 O4 S -","- C120 H144 Cl16 Cu8 N24 O32 S8 -","8","1","","Ording-Wenker, Erica C M; Siegler, Maxime A.; Lutz, Martin; Bouwman, Elisabeth","Catalytic catechol oxidation by copper complexes: development of a structure-activity relationship.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12196","12209","10.1039/c5dt01041a","","","0.71073","MoKα","","0.0413","0.0361","","","0.093","0.0955","","","","","","1.058","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034734","9.6309","0.0003","15.2563","0.0005","17.3137","0.0004","76.54","0.002","76.011","0.002","85.534","0.002","2400.06","0.13","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C43 H60 Cl Li3 N2 O4 Si4 -","- C43 H60 Cl Li3 N2 O4 Si4 -","- C86 H120 Cl2 Li6 N4 O8 Si8 -","2","1","","Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.","Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8950","8958","10.1039/c5dt00684h","","x-ray","0.71073","MoKα","","0.0787","0.052","","","0.1172","0.1303","","","","","","1.026","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034735","12.8637","0.0003","8.4515","0.0002","19.6313","0.0004","90","","98.406","0.001","90","","2111.34","0.08","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 K2 N2 O4 Si4 -","- C36 H52 K2 N2 O4 Si4 -","- C72 H104 K4 N4 O8 Si8 -","2","0.5","","Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.","Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8950","8958","10.1039/c5dt00684h","","x-ray","0.71073","MoKα","","0.0395","0.0319","","","0.0797","0.0838","","","","","","1.044","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034736","15.3083","0.0005","17.2815","0.0005","18.4035","0.0005","90","","101.819","0.002","90","","4765.4","0.2","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl3 N O2 Si2 Ti -","- C18 H26 Cl3 N O2 Si2 Ti -","- C144 H208 Cl24 N8 O16 Si16 Ti8 -","8","2","","Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.","Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8950","8958","10.1039/c5dt00684h","","x-ray","0.71073","MoKα","","0.0891","0.0542","","","0.1223","0.1407","","","","","","1.024","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034737","9.1335","0.0003","9.197","0.0004","16.6399","0.0008","97.298","0.002","93.494","0.003","113.499","0.002","1261.86","0.09","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C20 H32 Cl2 N2 O2 Si2 Zr -","- C20 H32 Cl2 N2 O2 Si2 Zr -","- C40 H64 Cl4 N4 O4 Si4 Zr2 -","2","1","","Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.","Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8950","8958","10.1039/c5dt00684h","","x-ray","0.71073","MoKα","","0.0326","0.0268","","","0.0633","0.066","","","","","","1.132","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034738","33.2755","0.0002","20.1404","0.0001","28.4984","0.0002","90","","97.67","","90","","18928.2","0.2","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C185 H244 Cl6 N6 O12 Si12 Zr3 -","- C185 H244 Cl6 N6 O12 Si12 Zr3 -","- C740 H976 Cl24 N24 O48 Si48 Zr12 -","4","1","","Evans, Lloyd T. J.; Farnaby, Joy H.; Coles, Martyn P.; Cloke, F Geoffrey N; Hitchcock, Peter B.","Group 4 metal compounds incorporating the amide ligand, [N(SiMe2{C6H4-2-OMe})2](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8950","8958","10.1039/c5dt00684h","","x-ray","0.71073","MoKα","","0.0931","0.0784","","","0.2077","0.2177","","","","","","1.194","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034739","13.966","0.004","13.887","0.004","23.249","0.006","90","","90","","90","","4509","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl2 Cu N3 O4 -","- C23 H21 Cl2 Cu N3 O4 -","- C184 H168 Cl16 Cu8 N24 O32 -","8","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0407","0.0375","","","0.0982","0.1007","","","","","","1.108","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034740","16.57","0.003","12.324","0.003","14.08","0.003","90","","101.64","0.03","90","","2816.1","1.1","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu F6 N3 O2 P -","- C28 H28 Cu F6 N3 O2 P -","- C112 H112 Cu4 F24 N12 O8 P4 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.035","0.0305","","","0.0766","0.0788","","","","","","1.053","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034741","14.286","0.003","15.106","0.003","23.05","0.005","90","","90","","90","","4974.3","1.8","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 Cl2 Cu2 F12 N6 O0 P2 -","- C48 H46 Cl2 Cu2 F12 N6 P2 -","- C192 H184 Cl8 Cu8 F48 N24 P8 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0506","0.0468","","","0.1197","0.1232","","","","","","1.04","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034742","14.258","0.003","15.075","0.003","23.007","0.005","90","","90","","90","","4945.1","1.8","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl Cu F6 N3 P -","- C24 H23 Cl Cu F6 N3 P -","- C192 H184 Cl8 Cu8 F48 N24 P8 -","8","2","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0533","0.0485","","","0.118","0.1214","","","","","","1.026","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7034743","12.0797","0.0002","14.2249","0.0003","17.4935","0.0003","90","","90","","90","","3005.95","0.1","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cu F6 N3 O2 P -","- C29 H30 Cu F6 N3 O2 P -","- C116 H120 Cu4 F24 N12 O8 P4 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0428","0.0389","","","0.1071","0.1129","","","","","","0.76","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034744","11.948","0.003","14.11","0.003","17.229","0.004","90","","90","","90","","2904.6","1.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cu F6 N3 O2 P -","- C29 H30 Cu F6 N3 O2 P -","- C116 H120 Cu4 F24 N12 O8 P4 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0411","0.0387","","","0.0912","0.0936","","","","","","0.738","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034745","11.8047","0.0002","24.8364","0.0003","25.4195","0.0003","90","","97.922","0.001","90","","7381.52","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 Bi Li N4 O6 -","- C80 H108 Bi Li N4 O6 -","- C320 H432 Bi4 Li4 N16 O24 -","4","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.","Bismuth-lithium bonding in the ion pairs: LiBiL2, where L = a porphyrin or a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8205","8213","10.1039/c5dt00256g","","x-ray","0.71073","MoKα","","0.0584","0.0369","","","0.0824","0.0893","","","","","","1.034","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034746","14.3587","0.0002","14.8193","0.0001","19.3492","0.0003","108.225","0.001","105.15","0.001","101.166","0.001","3600.47","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H94 Bi Cl2 Li N4 O4 -","- C73 H94 Bi Cl2 Li N4 O4 -","- C146 H188 Bi2 Cl4 Li2 N8 O8 -","2","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.","Bismuth-lithium bonding in the ion pairs: LiBiL2, where L = a porphyrin or a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8205","8213","10.1039/c5dt00256g","","x-ray","0.71073","MoKα","","0.0496","0.0345","","","0.0857","0.1064","","","","","","1.148","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034747","15.178","0.0002","12.9818","0.0002","25.0542","0.0005","90","","92.7","0.001","90","","4931.14","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H70 Li2 N2 O4 -","- C51 H70 Li2 N2 O4 -","- C204 H280 Li8 N8 O16 -","4","2","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.","Bismuth-lithium bonding in the ion pairs: LiBiL2, where L = a porphyrin or a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8205","8213","10.1039/c5dt00256g","","x-ray","0.71073","MoKα","","0.1153","0.0807","","","0.2179","0.2449","","","","","","1.039","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034748","17.4473","0.0008","23.7638","0.0011","18.3345","0.0009","90","","103.015","0.002","90","","7406.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Br Cl13 P4 Pd2 S2 -","- C66 H64 Br Cl13 P4 Pd2 S2 -","- C264 H256 Br4 Cl52 P16 Pd8 S8 -","4","1","","Azizpoor Fard, Mahmood; Willans, Mathew J.; Khalili Najafabadi, Bahareh; Levchenko, Tetyana I.; Corrigan, John F.","Polydentate chalcogen reagents for the facile preparation of Pd2 and Pd4 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8267","8277","10.1039/c5dt00197h","","","0.71073","MoKα","","0.1167","0.0538","","","0.1194","0.1493","","","","","","1.029","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034749","18.668","0.004","17.724","0.004","24.914","0.005","90","","93.11","0.03","90","","8231","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H66 Cl20 P4 Pd2 Se2 -","- C68 H66 Cl20 P4 Pd2 Se2 -","- C272 H264 Cl80 P16 Pd8 Se8 -","4","1","","Azizpoor Fard, Mahmood; Willans, Mathew J.; Khalili Najafabadi, Bahareh; Levchenko, Tetyana I.; Corrigan, John F.","Polydentate chalcogen reagents for the facile preparation of Pd2 and Pd4 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8267","8277","10.1039/c5dt00197h","","","0.71073","MoKα","","0.0934","0.0585","","","0.1524","0.1868","","","","","","1.04","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034750","17.875","0.007","26.862","0.01","26.933","0.011","90","","90","","90","","12932","9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C124 H120 Br3 Cl19 P8 Pd4 S4 -","- C124 H120 Br3 Cl19 P8 Pd4 S4 -","- C496 H480 Br12 Cl76 P32 Pd16 S16 -","4","0.5","","Azizpoor Fard, Mahmood; Willans, Mathew J.; Khalili Najafabadi, Bahareh; Levchenko, Tetyana I.; Corrigan, John F.","Polydentate chalcogen reagents for the facile preparation of Pd2 and Pd4 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8267","8277","10.1039/c5dt00197h","","","0.71073","MoKα","","0.0952","0.067","","","0.1846","0.2191","","","","","","1.119","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034751","12.3161","0.0007","7.8934","0.0004","16.9833","0.001","90","","104.06","0.003","90","","1601.58","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N2 Si Zn -","- C14 H16 Cl2 N2 Si Zn -","- C56 H64 Cl8 N8 Si4 Zn4 -","4","1","","Kim, Hyeun; Park, Minwoo; Lee, Haeri; Jung, Ok-Sang","Construction of helical coordination polymers via flexible conformers of bis(3-pyridyl)cyclotetramethylenesilane: metal(ii) and halogen effects on luminescence, thermolysis and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8198","8204","10.1039/c5dt00774g","","","0.71073","MoKα","","0.0465","0.0345","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034752","12.3877","0.0005","7.9778","0.0003","17.5325","0.0007","90","","103.989","0.002","90","","1681.29","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 N2 Si Zn -","- C14 H16 Br2 N2 Si Zn -","- C56 H64 Br8 N8 Si4 Zn4 -","4","1","","Kim, Hyeun; Park, Minwoo; Lee, Haeri; Jung, Ok-Sang","Construction of helical coordination polymers via flexible conformers of bis(3-pyridyl)cyclotetramethylenesilane: metal(ii) and halogen effects on luminescence, thermolysis and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8198","8204","10.1039/c5dt00774g","","","0.71073","MoKα","","0.0606","0.0426","","","0.0923","0.1004","","","","","","1.096","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034753","12.5515","0.0003","8.0518","0.0002","17.0144","0.0004","90","","104.844","0.001","90","","1662.13","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Hg N2 Si -","- C14 H16 Cl2 Hg N2 Si -","- C56 H64 Cl8 Hg4 N8 Si4 -","4","1","","Kim, Hyeun; Park, Minwoo; Lee, Haeri; Jung, Ok-Sang","Construction of helical coordination polymers via flexible conformers of bis(3-pyridyl)cyclotetramethylenesilane: metal(ii) and halogen effects on luminescence, thermolysis and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8198","8204","10.1039/c5dt00774g","","","0.71073","MoKα","","0.0432","0.0324","","","0.0803","0.0862","","","","","","1.117","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034754","12.6956","0.0004","8.156","0.0002","17.4487","0.0005","90","","105.101","0.002","90","","1744.34","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Hg N2 Si -","- C14 H16 Br2 Hg N2 Si -","- C56 H64 Br8 Hg4 N8 Si4 -","4","1","","Kim, Hyeun; Park, Minwoo; Lee, Haeri; Jung, Ok-Sang","Construction of helical coordination polymers via flexible conformers of bis(3-pyridyl)cyclotetramethylenesilane: metal(ii) and halogen effects on luminescence, thermolysis and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8198","8204","10.1039/c5dt00774g","","","0.71073","MoKα","","0.0476","0.032","","","0.061","0.0674","","","","","","1.034","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034755","14.3798","0.0005","11.4305","0.0004","15.0127","0.0005","90","","102.75","","90","","2406.77","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N O5 P W -","- C26 H20 Fe N O5 P W -","- C104 H80 Fe4 N4 O20 P4 W4 -","4","1","","Jayaraman, Arumugam; Jacob, Tyler V.; Bisskey, Jeff; Sterenberg, Brian T.","Sequential electrophilic P-C bond formation in metal-coordinated chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8788","8791","10.1039/c5dt01281c","","","0.71073","MoKα","","0.0153","0.0145","","","0.0355","0.0357","","","","","","1.065","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034756","15.629","0.002","9.8536","0.0015","16.354","0.002","90","","101.68","0.002","90","","2466.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Au Cl F10 N3 O4 -","- C24 H13 Au Cl F10 N3 O4 -","- C96 H52 Au4 Cl4 F40 N12 O16 -","4","1","","Montanel-Pérez, Sara; Herrera, Raquel P.; Laguna, Antonio; Villacampa, M. Dolores; Gimeno, M Concepción","The fluxional amine gold(iii) complex as an excellent catalyst and precursor of biologically active acyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9052","9062","10.1039/c5dt00703h","","","0.71073","MoKα","","0.0295","0.0236","","","0.0485","0.056","","","","","","1.11","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034757","8.1961","0.0016","11.368","0.002","20.475","0.004","97.15","0.03","101.31","0.03","101.21","0.03","1808.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Au Cl F10 N4 O5 -","- C38 H26 Au Cl F10 N4 O5 -","- C76 H52 Au2 Cl2 F20 N8 O10 -","2","1","","Montanel-Pérez, Sara; Herrera, Raquel P.; Laguna, Antonio; Villacampa, M. Dolores; Gimeno, M Concepción","The fluxional amine gold(iii) complex as an excellent catalyst and precursor of biologically active acyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9052","9062","10.1039/c5dt00703h","","","0.71073","MoKα","","0.0615","0.0515","","","0.1136","0.1178","","","","","","1.099","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034758","10.01","0.002","13.75","0.003","13.96","0.003","84.66","0.03","70.66","0.03","79.31","0.03","1780.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Au Cl F10 N4 O5 -","- C34 H30 Au Cl F10 N4 O5 -","- C68 H60 Au2 Cl2 F20 N8 O10 -","2","1","","Montanel-Pérez, Sara; Herrera, Raquel P.; Laguna, Antonio; Villacampa, M. Dolores; Gimeno, M Concepción","The fluxional amine gold(iii) complex as an excellent catalyst and precursor of biologically active acyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9052","9062","10.1039/c5dt00703h","","","0.71073","MoKα","","0.0209","0.0199","","","0.0495","0.05","","","","","","1.037","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034759","10.5","0.002","13.507","0.003","13.812","0.003","80.76","0.03","69.01","0.03","77.33","0.03","1777.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Au Cl F10 N4 O5 -","- C36 H28 Au Cl F10 N4 O5 -","- C72 H56 Au2 Cl2 F20 N8 O10 -","2","1","","Montanel-Pérez, Sara; Herrera, Raquel P.; Laguna, Antonio; Villacampa, M. Dolores; Gimeno, M Concepción","The fluxional amine gold(iii) complex as an excellent catalyst and precursor of biologically active acyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9052","9062","10.1039/c5dt00703h","","","0.71073","MoKα","","0.0249","0.0224","","","0.0522","0.0538","","","","","","1.037","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034760","14.7716","0.0002","9.4644","0.0001","19.5306","0.0002","90","","97.53","0.001","90","","2706.92","0.05","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C50 H50 Cl2 Cu2 N12 Ni O16 -","- C50 H50 Cl2 Cu2 N12 Ni O16 -","- C100 H100 Cl4 Cu4 N24 Ni2 O32 -","2","0.5","","Biswas, Surajit; Dutta, Arpan; Dolai, Malay; Bhowmick, Indrani; Rouzières, Mathieu; Clérac, Rodolphe; Panja, Anangamohan; Ali, Mahammad","Novel Cu(II)-M(II)-Cu(II) (M = Cu or Ni) trinuclear and [NaCu] hexanuclear complexes assembled by bi-compartmental ligands: syntheses, structures, magnetic and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9426","9438","10.1039/c4dt03728f","","","0.71073","MoKα","","0.0639","0.0403","","","0.1025","0.1154","","","","","","1.033","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034761","26.9977","0.0019","12.3081","0.0008","15.3946","0.001","90","","95.984","0.005","90","","5087.6","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cl2 Cu3 N10 O16 -","- C44 H44 Cl2 Cu3 N10 O16 -","- C176 H176 Cl8 Cu12 N40 O64 -","4","0.5","","Biswas, Surajit; Dutta, Arpan; Dolai, Malay; Bhowmick, Indrani; Rouzières, Mathieu; Clérac, Rodolphe; Panja, Anangamohan; Ali, Mahammad","Novel Cu(II)-M(II)-Cu(II) (M = Cu or Ni) trinuclear and [NaCu] hexanuclear complexes assembled by bi-compartmental ligands: syntheses, structures, magnetic and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9426","9438","10.1039/c4dt03728f","","","0.71073","MoKα","","0.1807","0.0575","","","0.1401","0.1947","","","","","","0.994","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034762","12.2539","0.0008","18.621","0.0013","27.0991","0.0018","102.507","0.004","93.336","0.004","108.678","0.004","5664.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C214 H210 Cu12 N56 Na2 O43 S8 -","- C214 H193 Cu12 N56 Na2 O43 S8 -","- C214 H193 Cu12 N56 Na2 O43 S8 -","1","0.5","","Biswas, Surajit; Dutta, Arpan; Dolai, Malay; Bhowmick, Indrani; Rouzières, Mathieu; Clérac, Rodolphe; Panja, Anangamohan; Ali, Mahammad","Novel Cu(II)-M(II)-Cu(II) (M = Cu or Ni) trinuclear and [NaCu] hexanuclear complexes assembled by bi-compartmental ligands: syntheses, structures, magnetic and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9426","9438","10.1039/c4dt03728f","","","0.71073","MoKα","","0.1572","0.0848","","","0.1894","0.233","","","","","","1.043","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034763","8.0433","0.0003","12.0138","0.0006","25.6152","0.0012","90","","95.516","0.007","90","","2463.75","0.19","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Al N -","- C29 H36 Al N -","- C116 H144 Al4 N4 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Tanaka, Kazuyoshi; Chujo, Yoshiki","Synthesis and characterization of heterofluorenes containing four-coordinated group 13 elements: theoretical and experimental analyses and comparison of structures, optical properties and electronic states.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8697","8707","10.1039/c5dt00718f","","","0.71075","MoKα","","0.0546","0.046","","","0.1199","0.1263","","","","","","1.076","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034764","8.1338","0.0011","11.689","0.0015","13.3458","0.0018","107.085","0.008","95.758","0.007","92.208","0.007","1203.7","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 B N -","- C29 H36 B N -","- C58 H72 B2 N2 -","2","1","","Matsumoto, Takuya; Tanaka, Kazuo; Tanaka, Kazuyoshi; Chujo, Yoshiki","Synthesis and characterization of heterofluorenes containing four-coordinated group 13 elements: theoretical and experimental analyses and comparison of structures, optical properties and electronic states.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8697","8707","10.1039/c5dt00718f","","","0.71075","MoKα","","0.0638","0.0543","","","0.1481","0.1562","","","","","","1.07","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034765","8.0444","0.0003","11.9945","0.0004","25.5765","0.0008","90","","95.569","0.007","90","","2456.19","0.15","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Ga N -","- C29 H36 Ga N -","- C116 H144 Ga4 N4 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Tanaka, Kazuyoshi; Chujo, Yoshiki","Synthesis and characterization of heterofluorenes containing four-coordinated group 13 elements: theoretical and experimental analyses and comparison of structures, optical properties and electronic states.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8697","8707","10.1039/c5dt00718f","","","0.71075","MoKα","","0.0631","0.0438","","","0.0807","0.0896","","","","","","1.045","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034766","8.1017","0.0004","12.3146","0.0007","25.3088","0.0013","90","","96.226","0.007","90","","2510.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 In N -","- C29 H36 In N -","- C116 H144 In4 N4 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Tanaka, Kazuyoshi; Chujo, Yoshiki","Synthesis and characterization of heterofluorenes containing four-coordinated group 13 elements: theoretical and experimental analyses and comparison of structures, optical properties and electronic states.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8697","8707","10.1039/c5dt00718f","","","0.71075","MoKα","","0.0565","0.0523","","","0.1442","0.1477","","","","","","1.041","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034767","9.1803","0.0003","11.6422","0.0005","15.718","0.0006","73.389","0.004","79.589","0.003","81.9","0.003","1576.2","0.11","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 F6 Mn2 O12 P4 -","- C66 H56 F6 Mn2 O12 P4 -","- C66 H56 F6 Mn2 O12 P4 -","1","0.5","","Miluykov, Vasili A.; Bezkishko, Ilya A.; Kochetkova, Liliya R.; Kataeva, Olga N.; Gerasimova, Tatiana P.; Katsyuba, Sergey A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Parameswaran, Anupama; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd","Synthesis and magnetic properties of manganese carbonyl complexes with different coordination modes of 3,4,5-triaryl-1,2-diphospholide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10259","10266","10.1039/c5dt00624d","","","0.71073","MoKα","","0.0985","0.0486","","","0.087","0.095","","","","","","0.83","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034768","9.107","0.0003","16.8245","0.0004","20.8814","0.0009","90","","96.361","0.003","90","","3179.77","0.19","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 Cl6 Mn2 O12 P4 -","- C66 H56 Cl6 Mn2 O12 P4 -","- C132 H112 Cl12 Mn4 O24 P8 -","2","0.5","","Miluykov, Vasili A.; Bezkishko, Ilya A.; Kochetkova, Liliya R.; Kataeva, Olga N.; Gerasimova, Tatiana P.; Katsyuba, Sergey A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Parameswaran, Anupama; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd","Synthesis and magnetic properties of manganese carbonyl complexes with different coordination modes of 3,4,5-triaryl-1,2-diphospholide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10259","10266","10.1039/c5dt00624d","","","0.71073","MoKα","","0.1085","0.0502","","","0.0977","0.1071","","","","","","0.857","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034769","20.7014","0.0004","22.2355","0.0005","25.2949","0.0005","71.8158","0.0018","88.325","0.0015","63.667","0.002","9832.1","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C133.5 H284 Eu6 N15 O78.5 Zn2 -","- C105 H155 Eu6 N15 O50 Zn2 -","- C210 H310 Eu12 N30 O100 Zn4 -","2","1","","Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios","Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10315","10320","10.1039/c5dt01240f","","","0.71073","MoKα","","0.074","0.0508","","","0.1095","0.1231","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034770","20.6705","0.0003","21.966","0.0004","25.1531","0.0003","71.9837","0.0014","88.2024","0.001","64.4382","0.0015","9728.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H271 Dy6 N15 O79 Zn2 -","- C107 H163 Dy6 N15 O52 Zn2 -","- C214 H326 Dy12 N30 O104 Zn4 -","2","1","","Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios","Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10315","10320","10.1039/c5dt01240f","","","0.71073","MoKα","","0.0931","0.0569","","","0.1253","0.1452","","","","","","1.047","","","","has coordinates,has disorder","138592","2020-10-21","18:00:00",""
"7034771","20.6864","0.0003","22.1669","0.0004","25.2175","0.0004","71.9252","0.0014","88.2848","0.0012","63.8427","0.0017","9789.5","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H270 Gd6 N43 O79 Zn2 -","- C106 H158 Gd6 N15 O51 Zn2 -","- C212 H316 Gd12 N30 O102 Zn4 -","2","1","","Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios","Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10315","10320","10.1039/c5dt01240f","","","0.71073","MoKα","","0.0746","0.0512","","","0.1105","0.1242","","","","","","1.089","","","","has coordinates","138592","2020-10-21","18:00:00",""
"7034772","20.7294","0.0004","22.2218","0.0004","25.3356","0.0004","71.849","0.0009","88.2919","0.0009","63.464","0.0009","9839.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C141 H297 N14 O83 Sm6 Zn2 -","- C110 H173 N14 O52 Sm6 Zn2 -","- C220 H346 N28 O104 Sm12 Zn4 -","2","1","","Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios","Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10315","10320","10.1039/c5dt01240f","","","0.71073","MoKα","","0.0724","0.0391","","","0.0894","0.1026","","","","","","1.022","","","","has coordinates","138592","2020-10-21","18:00:00",""
"7034773","22.151","0.0003","29.0764","0.0003","32.1304","0.0003","75.8497","0.0008","88.084","0.0009","79.2672","0.001","19713.7","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H268 N14 O75 Tb6 Zn2 -","- C104 H148 N14 O45 Tb6 Zn2 -","- C416 H592 N56 O180 Tb24 Zn8 -","4","2","","Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios","Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10315","10320","10.1039/c5dt01240f","","","1.54184","CuKα","","0.0962","0.0568","","","0.1492","0.1728","","","","","","1.028","","","","has coordinates","138592","2020-10-21","18:00:00",""
"7034774","9.48","0.006","18.791","0.012","15.689","0.01","90","","90","","90","","2795","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Sn -","- C28 H44 N2 Sn -","- C112 H176 N8 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0995","0.0503","","","0.0752","0.0863","","","","","","1.036","","","","has coordinates","138680","2020-10-21","18:00:00",""
"7034775","10.0169","0.0005","10.7935","0.0006","13.1689","0.0007","90","","99.688","0.001","90","","1403.48","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H46 N2 Sn -","- C29 H46 N2 Sn -","- C58 H92 N4 Sn2 -","2","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0481","0.0379","","","0.0792","0.0827","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034776","10.542","0.003","24.047","0.006","14.835","0.004","90","","110.7","0.05","90","","3518","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 Si Sn -","- C38 H50 N2 Si Sn -","- C152 H200 N8 Si4 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0661","0.0545","","","0.1121","0.1191","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034777","12.053","0.002","22.006","0.004","10.47","0.002","90","","90","","90","","2777","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H40 Cl2 N2 Sn -","- C27 H40 Cl2 N2 Sn -","- C108 H160 Cl8 N8 Sn4 -","4","0.5","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0259","0.0235","","","0.06","0.0607","","","","","","1.432","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034778","17.2286","0.0011","10.6563","0.0007","15.664","0.001","90","","95.199","0.001","90","","2864","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl3 N2 Sn -","- C26 H39 Cl3 N2 Sn -","- C104 H156 Cl12 N8 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.074","0.0379","","","0.0758","0.0939","","","","","","0.843","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034779","10.2328","0.0009","15.1239","0.0014","20.634","0.003","102.086","0.004","100.379","0.004","109.057","0.003","2842.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 Cl3 N2 Sn -","- C26 H39 Cl3 N2 Sn -","- C104 H156 Cl12 N8 Sn4 -","4","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0873","0.049","","","0.1117","0.126","","","","","","1.007","","","","has coordinates,has disorder","204132","2020-10-21","18:00:00",""
"7034780","12.343","0.003","13.215","0.003","34.597","0.007","79.946","0.006","88.904","0.008","72.595","0.006","5299","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N4 S2 Sn2 -","- C52 H76 N4 S2 Sn2 -","- C208 H304 N16 S8 Sn8 -","4","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0577","0.0348","","","0.078","0.0945","","","","","","1.076","","","","has coordinates","138680","2020-10-21","18:00:00",""
"7034781","12.4204","0.0019","13.1557","0.0015","34.524","0.004","79.399","0.012","87.652","0.011","71.981","0.009","5272.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N4 Se2 Sn2 -","- C52 H76 N4 Se2 Sn2 -","- C208 H304 N16 Se8 Sn8 -","4","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0905","0.0562","","","0.1109","0.1361","","","","","","1.085","","","","has coordinates","138680","2020-10-21","18:00:00",""
"7034782","9.5611","0.0003","15.7041","0.0005","19.0768","0.0006","90","","95.759","0.001","90","","2849.9","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 I N2 Sn -","- C27 H41 I N2 Sn -","- C108 H164 I4 N8 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0304","0.0235","","","0.0555","0.0588","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034783","24.111","0.005","11.35","0.002","21.18","0.004","90","","91.02","0.03","90","","5795.2","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H43 I N2 Sn -","- C28 H43 I N2 Sn -","- C224 H344 I8 N16 Sn8 -","8","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0193","0.019","","","0.0442","0.0443","","","","","","1.203","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034784","10.405","0.002","18.412","0.004","19.168","0.004","90","","102.47","0.03","90","","3585.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 I N2 Si Sn -","- C37 H47 I N2 Si Sn -","- C148 H188 I4 N8 Si4 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.156","0.0899","","","0.1823","0.2239","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034785","22.27","0.003","8.4192","0.0013","32.306","0.007","90","","99.877","0.013","90","","5967.5","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H45 I N2 O Sn -","- C29 H45 I N2 O Sn -","- C232 H360 I8 N16 O8 Sn8 -","8","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0808","0.0528","","","0.11","0.1245","","","","","","1.152","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034786","11.855","0.004","21.038","0.007","12.201","0.007","90","","90.8","0.03","90","","3043","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 F3 N2 O3 S Sn -","- C28 H41 F3 N2 O3 S Sn -","- C112 H164 F12 N8 O12 S4 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.051","0.044","","","0.1035","0.112","","","","","","1.233","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034787","12.227","0.002","14.922","0.003","19.768","0.004","104.833","0.003","102.68","0.003","105.209","0.003","3201.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H43 F3 N2 O3 S Sn -","- C29 H43 F3 N2 O3 S Sn -","- C116 H172 F12 N8 O12 S4 Sn4 -","4","2","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.179","0.0704","","","0.1451","0.1946","","","","","","0.932","","","","has coordinates","138680","2020-10-21","18:00:00",""
"7034788","10.7144","0.0001","18.721","0.0002","19.6338","0.0002","90","","103.551","0.0011","90","","3828.6","0.07","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 F3 N2 O3 S Si Sn -","- C38 H47 F3 N2 O3 S Si Sn -","- C152 H188 F12 N8 O12 S4 Si4 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","1.54184","CuKα","","0.0404","0.0272","","","0.063","0.0679","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034789","10.1512","0.0016","19.839","0.003","16.025","0.003","90","","92.5","0.004","90","","3224.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 F3 N2 O4 S Sn -","- C30 H45 F3 N2 O4 S Sn -","- C120 H180 F12 N8 O16 S4 Sn4 -","4","1","","Mansell, S. M.; Russell, C. A.; Wass, D. F.","Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9756","9765","10.1039/c5dt01022e","","","0.71073","MoKα","","0.0586","0.0422","","","0.0763","0.0835","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034790","13.9155","0.0006","31.8492","0.0013","21.236","0.0008","90","","106.221","0.001","90","","9037.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H33 Ag3 Mo24 N6 O81 P2 -","- C17 H25 Ag3 Mo24 N6 O81 P2 -","- C68 H100 Ag12 Mo96 N24 O324 P8 -","4","1","","Tian, Aixiang; Ning, Yali; Ying, Jun; Zhang, Juwen; Hou, Xue; Li, Tianjiao; Wang, Xiuli","Highly efficient usage of the hydrothermal technique through the one-pot method to construct four Keggin-based compounds containing pendent ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10499","10507","10.1039/c5dt00903k","","","0.71073","MoKα","","0.1051","0.0884","","","0.2264","0.237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034791","17.2805","0.0009","19.4475","0.0011","13.6848","0.0008","90","","93.805","0.001","90","","4588.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 Ag2 Mo12 N4 O42 P -","- C14 H13 Ag2 Mo12 N4 O42 P -","- C56 H52 Ag8 Mo48 N16 O168 P4 -","4","1","","Tian, Aixiang; Ning, Yali; Ying, Jun; Zhang, Juwen; Hou, Xue; Li, Tianjiao; Wang, Xiuli","Highly efficient usage of the hydrothermal technique through the one-pot method to construct four Keggin-based compounds containing pendent ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10499","10507","10.1039/c5dt00903k","","","0.71073","MoKα","","0.0865","0.0612","","","0.1168","0.1243","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034792","11.8729","0.0007","16.5311","0.001","19.4313","0.0012","98.089","0.001","107.517","0.001","110.145","0.001","3284.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag3 Mo12 N12 O40 P -","- C36 H36 Ag3 Mo12 N12 O40 P -","- C72 H72 Ag6 Mo24 N24 O80 P2 -","2","1","","Tian, Aixiang; Ning, Yali; Ying, Jun; Zhang, Juwen; Hou, Xue; Li, Tianjiao; Wang, Xiuli","Highly efficient usage of the hydrothermal technique through the one-pot method to construct four Keggin-based compounds containing pendent ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10499","10507","10.1039/c5dt00903k","","","0.71073","MoKα","","0.0523","0.0337","","","0.0694","0.0758","","","","","","1.011","","","","has coordinates","138593","2020-10-21","18:00:00",""
"7034793","13.4408","0.0005","17.7927","0.0007","24.3961","0.0009","90","","95.046","0.001","90","","5811.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Ag3 Mo12 N9 O41 P -","- C27 H27 Ag3 Mo12 N9 O41 P -","- C108 H108 Ag12 Mo48 N36 O164 P4 -","4","1","","Tian, Aixiang; Ning, Yali; Ying, Jun; Zhang, Juwen; Hou, Xue; Li, Tianjiao; Wang, Xiuli","Highly efficient usage of the hydrothermal technique through the one-pot method to construct four Keggin-based compounds containing pendent ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10499","10507","10.1039/c5dt00903k","","","0.71073","MoKα","","0.0852","0.053","","","0.1254","0.14","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034794","18.852","0.004","19.026","0.004","31.163","0.006","96.31","0.03","101.99","0.03","90.83","0.03","10859","4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C180 H213 Cl8 Cu0.78 N37 O37 S8 Zn7.22 -","- C128 H96 Cl8 N24 O24 S8 Zn8 -","- C256 H192 Cl16 N48 O48 S16 Zn16 -","2","1","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Mixed-metal metallocavitands: a new approach to tune their electrostatic potentials for controllable selectivity towards substituted benzene derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9370","9374","10.1039/c5dt01147g","","","0.71073","MoKα","","0.1156","0.0814","","","0.2225","0.2441","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034795","18.813","0.004","18.842","0.004","31.129","0.006","96.26","0.03","101.21","0.03","90.8","0.03","10752","4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C192 H240 Cl8 Cu2 N40 O40 S8 Zn6 -","- C128 H96 Cl8 N24 O24 S8 Zn8 -","- C256 H192 Cl16 N48 O48 S16 Zn16 -","2","1","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Mixed-metal metallocavitands: a new approach to tune their electrostatic potentials for controllable selectivity towards substituted benzene derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9370","9374","10.1039/c5dt01147g","","","0.71073","MoKα","","0.1274","0.089","","","0.2375","0.2612","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034796","42.385","0.009","19.464","0.004","26.821","0.005","90","","118.36","0.03","90","","19471","9","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C158 H161.5 Cl8 Cu3.16 N31.5 O31.5 S8 Zn4.84 -","- C128 H94 Cl8 Cu8 N24 O24 S8 -","- C512 H376 Cl32 Cu32 N96 O96 S32 -","4","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Mixed-metal metallocavitands: a new approach to tune their electrostatic potentials for controllable selectivity towards substituted benzene derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9370","9374","10.1039/c5dt01147g","","","0.71073","MoKα","","0.1679","0.14","","","0.4177","0.4532","","","","","","1.238","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034797","37.385","0.008","14.229","0.003","36.842","0.007","90","","109.73","0.03","90","","18448","7","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C166 H181.5 Cl8 Cu8 N33.5 O33.5 S8 -","- C128 H96 Cl8 Cu8 N24 O24 S8 -","- C512 H384 Cl32 Cu32 N96 O96 S32 -","4","0.5","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","Mixed-metal metallocavitands: a new approach to tune their electrostatic potentials for controllable selectivity towards substituted benzene derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9370","9374","10.1039/c5dt01147g","","","0.71073","MoKα","","0.112","0.0833","","","0.2141","0.2336","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034798","10.323","0.005","9.708","0.005","16.131","0.005","90","0.005","100.484","0.005","90","0.005","1589.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 Ga N3 O3 -","- C15 H17 F3 Ga N3 O3 -","- C60 H68 F12 Ga4 N12 O12 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71069","MoKα","","0.0558","0.0371","","","0.0842","0.0887","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034799","8.3293","0.0006","10.3564","0.0007","10.3564","0.0007","90","","90","","90","","893.36","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cl N2 -","- C7 H17 Cl N2 -","- C28 H68 Cl4 N8 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71073","MoKα","","0.0448","0.0354","","","0.0797","0.0847","","","","","","0.961","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034800","24.054","0.01","7.558","0.003","16.389","0.007","90","","123.374","0.004","90","","2488.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H46 Al2 F8 N4 O6 -","- C14 H46 Al2 F8 N4 O6 -","- C56 H184 Al8 F32 N16 O24 -","4","0.5","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71073","MoKα","","0.0985","0.0789","","","0.2189","0.2383","","","","","","1.073","","","","has coordinates","203341","2020-10-21","18:00:00",""
"7034801","8.976","0.005","7.3","0.005","19.062","0.005","90","0.005","93.331","0.005","90","0.005","1246.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Al F3 N2 O3 -","- C10 H10 Al F3 N2 O3 -","- C40 H40 Al4 F12 N8 O12 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71069","MoKα","","0.1037","0.0601","","","0.1436","0.1676","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034802","9.4806","0.0009","25.104","0.002","7.0846","0.0006","90","","104.425","0.007","90","","1633","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gallium trifluoride terpyridine trihydrate","","- C15 H17 Al F3 N3 O3 -","- C15 H17 Al F3 N3 O3 -","- C60 H68 Al4 F12 N12 O12 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71073","MoKα","","0.1326","0.0713","","","0.1456","0.1718","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034803","9.774","0.002","10.46","0.002","10.646","0.002","78.064","0.012","62.736","0.008","85.448","0.014","946.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 F16 Ga2 N6 O4 P2 -","- C30 H30 F16 Ga2 N6 O4 P2 -","- C30 H30 F16 Ga2 N6 O4 P2 -","1","0.5","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71075","MoKα","","0.0491","0.0433","","","0.1086","0.1113","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034804","11.674","0.003","12.642","0.004","13.756","0.005","89.137","0.017","78.682","0.016","65.276","0.015","1803.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl8 Ga2 N3 -","- C28 H37 Cl8 Ga2 N3 -","- C56 H74 Cl16 Ga4 N6 -","2","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71075","MoKα","","0.125","0.0862","","","0.1924","0.2111","","","","","","0.877","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034805","9.056","0.003","7.371","0.002","18.904","0.006","90","","93.462","0.006","90","","1259.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","aqua(2,2'-bipyridine)trifluorogallium(III) dihydrate","","- C10 H14 F3 Ga N2 O3 -","- C10 H14 F3 Ga N2 O3 -","- C40 H56 F12 Ga4 N8 O12 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71073","MoKα","","0.0509","0.0484","","","0.1298","0.1324","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7034806","8.3906","0.0005","7.194","0.0005","19.0124","0.0013","90","","100.631","0.003","90","","1127.93","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 Ga N2 O -","- C12 H10 F3 Ga N2 O -","- C48 H40 F12 Ga4 N8 O4 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71075","MoKα","","0.0284","0.0247","","","0.0637","0.0658","","","","","","1.054","","","","has coordinates","138659","2020-10-21","18:00:00",""
"7034807","25.6146","0.0017","12.8338","0.0007","18.1002","0.0012","90","","124.05","0.005","90","","4930","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27.8 Cu N3 O6.4 -","- C25 H27.8 Cu N3 O6.4 -","- C200 H222.4 Cu8 N24 O51.2 -","8","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Ganeshpandian, Mani; Bhuvanesh, Nattamai S. P.; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand copper(ii) dicarboxylate complexes: the role of co-ligand hydrophobicity in DNA binding, double-strand DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10210","10227","10.1039/c4dt03879g","","","0.71073","MoKα","","0.063","0.0478","","","0.126","0.1357","","","","","","1.078","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034808","9.873","0.003","16.336","0.005","13.048","0.004","90","","99.869","0.004","90","","2073.3","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cu N3 O6 -","- C23 H23 Cu N3 O6 -","- C92 H92 Cu4 N12 O24 -","4","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Ganeshpandian, Mani; Bhuvanesh, Nattamai S. P.; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand copper(ii) dicarboxylate complexes: the role of co-ligand hydrophobicity in DNA binding, double-strand DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10210","10227","10.1039/c4dt03879g","","","0.71073","MoKα","","0.0567","0.0489","","","0.1313","0.1385","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034809","23.577","0.004","21.515","0.004","20.12","0.004","90","","112.54","0.003","90","","9426","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H72.5 Co6 N13.5 O25 -","- C102 H66 Co6 N12 O25 -","- C408 H264 Co24 N48 O100 -","4","1","","Li, Zuo-Xi; Ye, Gan; Han, Juan; Yang, Ying; Zou, Kang-Yu; Wang, Xin; Wang, Xiao-Ling; Gou, Xiao-Feng","1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by intersection angles of isomeric benzenedicarboxylates: magnetic properties, gas-dependent calcination-thermolysis and energy storage performances.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9209","9220","10.1039/c5dt00963d","","","0.71073","MoKα","","0.1021","0.0682","","","0.1907","0.204","","","","","","1.044","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034810","9.99","0.004","10.046","0.004","11.176","0.005","92.603","0.006","92.028","0.006","97.537","0.007","1109.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C52 H36 Co2 N8 O8 -","2","1","","Li, Zuo-Xi; Ye, Gan; Han, Juan; Yang, Ying; Zou, Kang-Yu; Wang, Xin; Wang, Xiao-Ling; Gou, Xiao-Feng","1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by intersection angles of isomeric benzenedicarboxylates: magnetic properties, gas-dependent calcination-thermolysis and energy storage performances.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9209","9220","10.1039/c5dt00963d","","","0.71073","MoKα","","0.0408","0.0345","","","0.0898","0.0939","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034811","13.152","0.003","17.365","0.004","9.3149","0.0019","90","","90","","90","","2127.4","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Li, Zuo-Xi; Ye, Gan; Han, Juan; Yang, Ying; Zou, Kang-Yu; Wang, Xin; Wang, Xiao-Ling; Gou, Xiao-Feng","1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by intersection angles of isomeric benzenedicarboxylates: magnetic properties, gas-dependent calcination-thermolysis and energy storage performances.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9209","9220","10.1039/c5dt00963d","","","0.71073","MoKα","","0.0542","0.0416","","","0.0938","0.0991","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034812","9.6621","0.0002","12.0824","0.0002","13.1972","0.0002","90","","108.536","0.002","90","","1460.74","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 P6 Rh2 -","- C18 H52 P6 Rh2 -","- C36 H104 P12 Rh4 -","2","0.5","","Borner, C.; Brandhorst, K.; Kleeberg, C.","Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8600","8604","10.1039/c5dt00618j","","","0.71073","MoKα","","0.0214","0.02","","","0.0466","0.0473","","","","","","1.069","","","","has coordinates","138571","2020-10-21","18:00:00",""
"7034813","6.665","0.0001","13.9554","0.0002","12.2545","0.0002","90","","91.403","0.001","90","","1139.48","0.03","102","2","102","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H37 B N2 P3 Rh -","- C17 H37 B N2 P3 Rh -","- C34 H74 B2 N4 P6 Rh2 -","2","0.5","","Borner, C.; Brandhorst, K.; Kleeberg, C.","Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8600","8604","10.1039/c5dt00618j","","","0.71073","MoKα","","0.0301","0.0277","","","0.0714","0.0729","","","","","","1.092","","","","has coordinates","138571","2020-10-21","18:00:00",""
"7034814","9.2105","0.0006","12.2896","0.0012","12.3812","0.0011","90.471","0.008","98.184","0.006","90.52","0.008","1387.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H48 B O2 P4 Rh -","- C18 H48 B O2 P4 Rh -","- C36 H96 B2 O4 P8 Rh2 -","2","1","","Borner, C.; Brandhorst, K.; Kleeberg, C.","Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8600","8604","10.1039/c5dt00618j","","","0.71073","MoKα","","0.0494","0.038","","","0.0878","0.0911","","","","","","1.006","","","","has coordinates","138571","2020-10-21","18:00:00",""
"7034815","9.9185","0.0001","11.7946","0.0002","18.9805","0.0002","72.324","0.001","80.447","0.001","67.981","0.001","1957.87","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H59 B N2 P3 Rh -","- C38.5 H59 B N2 P3 Rh -","- C77 H118 B2 N4 P6 Rh2 -","2","1","","Borner, C.; Brandhorst, K.; Kleeberg, C.","Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8600","8604","10.1039/c5dt00618j","","","0.71073","MoKα","","0.0524","0.0423","","","0.0979","0.104","","","","","","1.129","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034816","9.2189","0.0004","19.0437","0.0007","15.9428","0.0006","90","","94.531","0.004","90","","2790.2","0.19","175","2","175","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 B N2 P4 Rh -","- C20 H46 B N2 P4 Rh -","- C80 H184 B4 N8 P16 Rh4 -","4","1","","Borner, C.; Brandhorst, K.; Kleeberg, C.","Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8600","8604","10.1039/c5dt00618j","","","0.71073","MoKα","","0.0527","0.0415","","","0.0844","0.0876","","","","","","1.141","","","","has coordinates","138571","2020-10-21","18:00:00",""
"7034817","19.767","0.005","15.478","0.01","34.001","0.009","90","","90","","90","","10403","8","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9.66667 H9 Br2 Cl4 N4.33333 Pd -","- C9.66667 H9 Br2 Cl4 N4.33333 Pd -","- C232 H216 Br48 Cl96 N104 Pd24 -","24","3","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0849","0.0423","","","0.1044","0.1297","","","","","","1.077","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7034818","8.046","0.0014","11.574","0.002","15.732","0.0013","72.144","0.009","89.76","0.014","74.103","0.015","1336","0.4","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 Br2 Cl4 N6 O2 Pd -","- C17 H26 Br2 Cl4 N6 O2 Pd -","- C34 H52 Br4 Cl8 N12 O4 Pd2 -","2","1","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0585","0.0341","","","0.0746","0.0809","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034819","13.43","0.003","18.758","0.002","8.31","0.006","90","","90","","90","","2093.5","1.6","198","2","198","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H14 Br2 Cl4 N4 Pd -","- C16 H14 Br2 Cl4 N4 Pd -","- C64 H56 Br8 Cl16 N16 Pd4 -","4","0.5","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0472","0.0299","","","0.0608","0.0659","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034820","23.913","0.0003","23.913","0.0003","13.699","0.003","90","","90","","90","","7833.5","1.7","198","2","198","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C15 H12 Br2 N8 Pd -","- C15 H12 Br2 N8 Pd -","- C240 H192 Br32 N128 Pd16 -","16","1","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0394","0.0331","","","0.0736","0.0764","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034821","10.2547","0.0003","16.1141","0.0005","18.9659","0.0005","73.517","0.001","89.29","0.002","74.132","0.002","2883.48","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H54 Cl2 Co3 N6 O7 -","- C69 H50 Co3 N6 O7 -","- C138 H100 Co6 N12 O14 -","2","1","","Oldengott, Jan; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","Enhancing the ferromagnetic coupling in extended phloroglucinol complexes by increasing the metal SOMO-ligand overlap: synthesis and characterization of a trinuclear Co triplesalophen complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9732","9735","10.1039/c5dt01255d","","x-ray","1.54178","CuKα","","0.0489","0.042","","","0.1088","0.1142","","","","","","1.04","","","","has coordinates,has disorder","138682","2020-10-21","18:00:00",""
"7034822","21.1798","0.0002","12.69988","0.00012","14.89542","0.00016","90","","90","","90","","4006.58","0.07","150","0.1","150","0.1","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H62 B2 Cu F8 N4 O5 -","- C30 H62 B2 Cu F8 N4 O5 -","- C120 H248 B8 Cu4 F32 N16 O20 -","4","0.5","","Bent, S. J.; Mahon, M. F.; Webster, R. L.","Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10253","10258","10.1039/c5dt01312g","","x-ray","1.54184","CuKα","","0.0419","0.041","","","0.1043","0.1058","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034823","9.6068","0.0003","10.622","0.0004","11.5052","0.0005","79.821","0.003","77.423","0.003","73.676","0.003","1091.27","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 B Cu0.5 F4 N2 O3 -","- C21 H26 B Cu0.5 F4 N2 O3 -","- C42 H52 B2 Cu F8 N4 O6 -","2","1","","Bent, S. J.; Mahon, M. F.; Webster, R. L.","Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10253","10258","10.1039/c5dt01312g","","","1.54184","CuKα","","0.0504","0.0478","","","0.1321","0.1356","","","","","","1.055","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034824","7.8115","0.0007","12.5241","0.0011","14.1328","0.0012","93.159","0.002","91.899","0.002","99.247","0.002","1361.4","0.2","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H26 Ce Cu N5 O14 -","- C22 H26 Ce Cu N5 O14 -","- C44 H52 Ce2 Cu2 N10 O28 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0317","0.0305","","","0.0881","0.0891","","","","","","1.047","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034825","7.7396","0.0006","12.5347","0.001","14.1169","0.0011","93.38","0.002","91.777","0.002","99.381","0.002","1347.72","0.18","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H26 Cu N5 Nd O14 -","- C22 H26 Cu N5 Nd O14 -","- C44 H52 Cu2 N10 Nd2 O28 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0322","0.0246","","","0.0492","0.0512","","","","","","1.048","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034826","12.8073","0.0007","9.1629","0.0005","24.3229","0.0013","90","","97.803","0.001","90","","2827.9","0.3","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H27 Cu N6 O13 Sm -","- C24 H27 Cu N6 O13 Sm -","- C96 H108 Cu4 N24 O52 Sm4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0311","0.0258","","","0.0518","0.0536","","","","","","1.044","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034827","9.2709","0.0005","12.0444","0.0007","12.2012","0.0007","101.526","0.001","95.207","0.001","90.353","0.001","1329.02","0.13","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Eu N5 O13 -","- C22 H24 Cu Eu N5 O13 -","- C44 H48 Cu2 Eu2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0314","0.0239","","","0.0461","0.0479","","","","","","1.038","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034828","9.266","0.0005","12.0433","0.0007","12.1879","0.0007","101.573","0.002","95.303","0.002","90.449","0.002","1326.25","0.13","100","2","99.96","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Gd N5 O13 -","- C22 H24 Cu Gd N5 O13 -","- C44 H48 Cu2 Gd2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0582","0.0392","","","0.0793","0.0855","","","","","","1.015","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034829","11.2871","0.0018","15.301","0.002","15.918","0.003","90","","105.682","0.005","90","","2646.8","0.7","296","2","296.16","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Gd N5 O13 -","- C22 H24 Cu Gd N5 O13 -","- C88 H96 Cu4 Gd4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0969","0.0642","","","0.1247","0.1442","","","","","","1.1","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034830","9.2637","0.0004","12.0257","0.0005","12.1769","0.0005","101.482","0.001","95.407","0.001","90.479","0.001","1322.96","0.1","101","2","101.1","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu N5 O13 Tb -","- C22 H24 Cu N5 O13 Tb -","- C44 H48 Cu2 N10 O26 Tb2 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0347","0.0256","","","0.0474","0.0498","","","","","","1.037","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034831","9.2947","0.0002","12.0714","0.0003","12.1819","0.0003","101.564","0.001","95.715","0.001","90.508","0.001","1331.83","0.05","138","2","138","","","","","","","","","6","P 1","P 1","1","","","","- C22 H24 Cu Dy N5 O13 -","- C22 H24 Cu Dy N5 O13 -","- C44 H48 Cu2 Dy2 N10 O26 -","2","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0211","0.0189","","","0.0426","0.044","","","","","","1.143","","","","has coordinates","143584","2020-10-21","18:00:00",""
"7034832","11.2823","0.0006","15.2642","0.0008","15.8767","0.0009","90","","105.352","0.003","90","","2636.6","0.3","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu N5 O13 Tb -","- C22 H24 Cu N5 O13 Tb -","- C88 H96 Cu4 N20 O52 Tb4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0655","0.0622","","","0.1547","0.1574","","","","","","1.029","","","","has coordinates,has disorder","143584","2020-10-21","18:00:00",""
"7034833","11.2976","0.0006","15.2584","0.0008","15.8897","0.0007","90","","105.251","0.003","90","","2642.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Dy N5 O13 -","- C22 H24 Cu Dy N5 O13 -","- C88 H96 Cu4 Dy4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0751","0.0417","","","0.0599","0.0683","","","","","","0.977","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034834","11.2841","0.0002","15.2285","0.0002","15.87","0.0002","90","","105.007","0.001","90","","2634.09","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Ho N5 O13 -","- C22 H24 Cu Ho N5 O13 -","- C88 H96 Cu4 Ho4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0482","0.0336","","","0.0482","0.0517","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034835","11.285","0.0001","15.1767","0.0001","15.8584","0.0001","90","","104.65","","90","","2627.75","0.03","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu Er N5 O13 -","- C22 H24 Cu Er N5 O13 -","- C88 H96 Cu4 Er4 N20 O52 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0366","0.0278","","","0.0486","0.051","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034836","11.2822","0.0008","15.1434","0.0011","15.8487","0.0011","90","","104.475","0.001","90","","2621.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cu N5 O13 Yb -","- C22 H24 Cu N5 O13 Yb -","- C88 H96 Cu4 N20 O52 Yb4 -","4","2","","Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi","Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11191","11201","10.1039/c5dt00789e","","","0.71073","MoKα","","0.0274","0.0256","","","0.0578","0.0584","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034837","31.603","0.004","8.6107","0.001","22.928","0.003","90","","129.76","0.011","90","","4796.3","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H18 B F5 N2.5 O -","- C29 H18 B F5 N2.5 O -","- C232 H144 B8 F40 N20 O8 -","8","1","","Mukundam, Vanga; Dhanunjayarao, Kunchala; Chuang, Ching-Nan; Kang, Dun-Yen; Leung, Man-Kit; Hsieh, Kuo-Huang; Venkatasubbaiah, Krishnan","Design, synthesis, photophysical and electrochemical properties of 2-(4,5-diphenyl-1-p-aryl-1H-imidazol-2-yl)phenol-based boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10228","10236","10.1039/c5dt00867k","","","0.71073","MoKα","","0.0499","0.0414","","","0.1122","0.1187","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7034838","10.2847","0.0004","10.8082","0.0004","10.9755","0.0004","85.101","0.003","75.591","0.003","67.342","0.002","1090.38","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 B F2 N2 O -","- C27 H19 B F2 N2 O -","- C54 H38 B2 F4 N4 O2 -","2","1","","Mukundam, Vanga; Dhanunjayarao, Kunchala; Chuang, Ching-Nan; Kang, Dun-Yen; Leung, Man-Kit; Hsieh, Kuo-Huang; Venkatasubbaiah, Krishnan","Design, synthesis, photophysical and electrochemical properties of 2-(4,5-diphenyl-1-p-aryl-1H-imidazol-2-yl)phenol-based boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10228","10236","10.1039/c5dt00867k","","","0.71073","MoKα","","0.0945","0.0465","","","0.1059","0.1302","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034839","15.3294","0.0003","9.4774","0.0002","23.2087","0.0006","90","","101.006","0.002","90","","3309.81","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H41 I7 N8 O2 Pb -","- C8 H41 I7 N8 O2 Pb -","- C32 H164 I28 N32 O8 Pb4 -","4","0.5","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0573","0.0488","","","0.149","0.1553","","","","","","0.993","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034840","19.6228","0.0013","14.0896","0.0008","10.9953","0.0005","90","","90","","90","","3040","0.3","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H16 Cs2 I8 N4 Pb3 -","- C4 H16 Cs2 I8 N4 Pb3 -","- C16 H64 Cs8 I32 N16 Pb12 -","4","","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0811","0.0674","","","0.1649","0.1748","","","","","","0.996","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034841","15.4571","0.0005","8.8221","0.0004","16.7663","0.0009","90","","92.382","0.004","90","","2284.35","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H26 I5 N5 Pb -","- C8 H26 I5 N5 Pb -","- C32 H104 I20 N20 Pb4 -","4","1","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0319","0.0241","","","0.0472","0.0499","","","","","","1.02","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034842","18.2273","0.0007","8.9569","0.0004","20.7698","0.0008","90","","90","","90","","3390.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C6 H17 N3 Pb I4","","","- C6 H17 I4 N3 Pb -","- C6 H17 I4 N3 Pb -","- C48 H136 I32 N24 Pb8 -","8","1","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0673","0.0529","","","0.1346","0.1501","","","","","","1.003","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034843","18.143","0.0006","15.788","0.0005","19.2737","0.0008","90","","90","","90","","5520.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I6 N2 Pb2 -","- C14 H18 I6 N2 Pb2 -","- C112 H144 I48 N16 Pb16 -","8","1","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0633","0.0389","","","0.0773","0.0895","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034844","10.8414","0.0004","18.2977","0.0006","7.9777","0.0002","90","","106.088","0.004","90","","1520.58","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I6 N2 Pb2 -","- C16 H20 I6 N2 Pb2 -","- C32 H40 I12 N4 Pb4 -","2","0.5","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0426","0.031","","","0.0678","0.0732","","","","","","1.003","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034845","12.941","0.004","6.9454","0.0018","26.594","0.007","90","","90","","90","","2390.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 N7 O3 Pb -","- C10 H7 N7 O3 Pb -","- C80 H56 N56 O24 Pb8 -","8","1","","Chen, Jun; Zhang, Qing; Liu, Zhi-Fa; Wang, Shuai-Hua; Xiao, Yu; Li, Rong; Xu, Jian-Gang; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Color tunable and near white-light emission of two solvent-induced 2D lead(ii) coordination networks based on a rigid ligand 1-tetrazole-4-imidazole-benzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10089","10096","10.1039/c5dt00929d","","","0.71073","MoKα","","0.0382","0.0272","","","0.0788","0.1134","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034846","13.1322","0.0011","7.3687","0.0004","21","0.002","90","","106.06","0.005","90","","1952.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N12 Pb -","- C20 H14 N12 Pb -","- C80 H56 N48 Pb4 -","4","1","","Chen, Jun; Zhang, Qing; Liu, Zhi-Fa; Wang, Shuai-Hua; Xiao, Yu; Li, Rong; Xu, Jian-Gang; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Color tunable and near white-light emission of two solvent-induced 2D lead(ii) coordination networks based on a rigid ligand 1-tetrazole-4-imidazole-benzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10089","10096","10.1039/c5dt00929d","","","0.71073","MoKα","","0.0496","0.0417","","","0.1121","0.1276","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034847","15.575","0.002","11.872","0.004","21.594","0.006","90","","127.7","0.02","90","","3159.3","1.7","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N3 O2 Pt -","- C36 H35 N3 O2 Pt -","- C144 H140 N12 O8 Pt4 -","4","1","","Tenne, M.; Metz, S.; Wagenblast, G.; Münster, Ingo; Strassner, T.","C^C* cyclometalated platinum(ii) N-heterocyclic carbene complexes with a sterically demanding β-diketonato ligand - synthesis, characterization and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8444","8455","10.1039/c4dt03613a","","","0.71073","MoKα","","0.0893","0.0496","","","0.1203","0.1357","","","","","","1.238","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034848","11.763","0.0005","11.875","0.0017","13.141","0.0019","90","","93.774","0.008","90","","1831.6","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O2 Pt -","- C20 H19 N3 O2 Pt -","- C80 H76 N12 O8 Pt4 -","4","1","","Tenne, M.; Metz, S.; Wagenblast, G.; Münster, Ingo; Strassner, T.","C^C* cyclometalated platinum(ii) N-heterocyclic carbene complexes with a sterically demanding β-diketonato ligand - synthesis, characterization and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8444","8455","10.1039/c4dt03613a","","","0.71073","MoKα","","0.0434","0.0246","","","0.0329","0.0361","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034849","11.8959","0.0004","26.8401","0.0006","13.1736","0.0005","90","","113.398","0.004","90","","3860.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H37 Au Cl4 P2 Ru -","- C35.5 H37 Au Cl4 P2 Ru -","- C142 H148 Au4 Cl16 P8 Ru4 -","4","1","","Massai, Lara; Fernández-Gallardo, Jacob; Guerri, Annalisa; Arcangeli, Annarosa; Pillozzi, Serena; Contel, María; Messori, Luigi","Design, synthesis and characterisation of new chimeric ruthenium(ii)-gold(i) complexes as improved cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11067","11076","10.1039/c5dt01614b","","","0.71069","MoKα","","0.1257","0.0616","","","0.1567","0.1931","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034850","4.7572","0.0004","19.9132","0.0017","18.6841","0.0016","90","","91.698","0.003","90","","1769.2","0.3","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Davidson, Ross J.; Wilson, Lucy E.; Duckworth, Andrew R.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11368","11379","10.1039/c5dt01278c","","x-ray","0.71073","MoKα","K-L~3~","0.1277","0.0712","","","0.1651","0.1865","","","","","","1.016","","","","has coordinates","143541","2020-10-21","18:00:00",""
"7034851","12.0142","0.0014","13.6517","0.0016","24.769","0.003","74.903","0.003","81.701","0.003","82.307","0.003","3861.4","0.8","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H38 Cl F6 N6 O P Ru -","- C40 H38 Cl F6 N6 O P Ru -","- C160 H152 Cl4 F24 N24 O4 P4 Ru4 -","4","2","","Davidson, Ross J.; Wilson, Lucy E.; Duckworth, Andrew R.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11368","11379","10.1039/c5dt01278c","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.059","","","0.1529","0.1767","","","","","","1.024","","","","has coordinates,has disorder","143541","2020-10-21","18:00:00",""
"7034852","10.5971","0.0004","12.7714","0.0005","15.9819","0.0006","69.051","0.001","74.788","0.001","68.191","0.001","1854.38","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H28 Cl F6 N8 O2 P Ru -","- C37 H28 Cl F5.96 N8 O2 P Ru -","- C74 H56 Cl2 F11.92 N16 O4 P2 Ru2 -","2","1","","Davidson, Ross J.; Wilson, Lucy E.; Duckworth, Andrew R.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.","Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](.).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11368","11379","10.1039/c5dt01278c","","x-ray","0.71073","MoKα","","0.0783","0.0442","","","0.0878","0.1013","","","","","","0.999","","","","has coordinates,has disorder","143541","2020-10-21","18:00:00",""
"7034853","10.6643","0.0018","9.5838","0.0016","31.345","0.006","90","","97.564","0.005","90","","3175.7","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2b in manuscript","","","- C34 H56 Ni P2 -","- C34 H56 Ni P2 -","- C136 H224 Ni4 P8 -","4","1","","Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas","Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11083","11094","10.1039/c5dt01040c","","","0.71073","MoKα","","0.0844","0.0584","","","0.0884","0.0993","","","","","","1.102","","","","has coordinates","143592","2020-10-21","18:00:00",""
"7034854","31.6368","0.0016","21.6435","0.0012","9.1291","0.0004","90","","90","","90","","6251","0.5","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4c in manuscript","","","- C31 H54 Ni O2 P2 -","- C31 H54 Ni O2 P2 -","- C248 H432 Ni8 O16 P16 -","8","1","","Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas","Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11083","11094","10.1039/c5dt01040c","","","0.71073","MoKα","","0.1209","0.0765","","","0.1733","0.1969","","","","","","1.08","","","","has coordinates,has disorder","143592","2020-10-21","18:00:00",""
"7034855","16.78","0.03","8.692","0.016","27.13","0.05","90","","103.38","0.03","90","","3850","12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5b in manuscript","","","- C39 H64 Ni O3 P2 -","- C39 H64 Ni O3 P2 -","- C156 H256 Ni4 O12 P8 -","4","1","","Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas","Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11083","11094","10.1039/c5dt01040c","","","0.71073","MoKα","","0.1446","0.0663","","","0.1271","0.154","","","","","","1.017","","","","has coordinates","143592","2020-10-21","18:00:00",""
"7034856","9.988","0.0009","14.3032","0.0012","16.3855","0.0013","90","","106.499","0.0014","90","","2244.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dtbpe carbonate in manuscript","","","- C19 H40 Ni O3 P2 -","- C19 H40 Ni O3 P2 -","- C76 H160 Ni4 O12 P8 -","4","1","","Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas","Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11083","11094","10.1039/c5dt01040c","","","0.71073","MoKα","","0.0843","0.0496","","","0.0983","0.1111","","","","","","1.037","","","","has coordinates","143592","2020-10-21","18:00:00",""
"7034857","9.9787","0.001","41.179","0.004","17.2206","0.0016","90","","100.917","0.002","90","","6948.1","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H42 Mo N O2 P2 -","- C116 H42 Mo N O2 P2 -","- C464 H168 Mo4 N4 O8 P8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Anionic coordination complexes of C60 and C70 with cyclopentadienyl and pentamethylcyclopentadienyl molybdenum dicarbonyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9672","9681","10.1039/c5dt00970g","","","0.71073","MoKα","","0.1448","0.0666","","","0.1431","0.1817","","","","","","1.002","","","","has coordinates,has disorder","138661","2020-10-21","18:00:00",""
"7034858","14.0336","0.0004","16.0159","0.0004","18.2067","0.0005","88.962","0.002","81.128","0.002","78.47","0.002","3961.26","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C121 H54 Cl2 Mo N2 O2 P2 -","- C121 H54 Cl2 Mo N2 O2 P2 -","- C242 H108 Cl4 Mo2 N4 O4 P4 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Anionic coordination complexes of C60 and C70 with cyclopentadienyl and pentamethylcyclopentadienyl molybdenum dicarbonyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9672","9681","10.1039/c5dt00970g","","","0.71073","MoKα","","0.1717","0.1006","","","0.2478","0.2939","","","","","","1.021","","","","has coordinates,has disorder","138661","2020-10-21","18:00:00",""
"7034859","21.454","0.001","16.3401","0.001","19.835","0.0008","90","","117.151","0.003","90","","6187.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103 H35 Mo N O2 P2 -","- C103 H35 Mo N O2 P2 -","- C412 H140 Mo4 N4 O8 P8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Anionic coordination complexes of C60 and C70 with cyclopentadienyl and pentamethylcyclopentadienyl molybdenum dicarbonyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9672","9681","10.1039/c5dt00970g","","","0.81036","synchrotron","","0.0544","0.0516","","","0.1251","0.1269","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034860","13.927","0.001","18.956","0.001","13.716","0.001","90","","91.01","0.01","90","","3620.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Mo N O3 P2 -","- C44 H41 Mo N O3 P2 -","- C176 H164 Mo4 N4 O12 P8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Anionic coordination complexes of C60 and C70 with cyclopentadienyl and pentamethylcyclopentadienyl molybdenum dicarbonyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9672","9681","10.1039/c5dt00970g","","","0.71073","MoKα","","0.042","0.0313","","","0.0793","0.0822","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034861","9.71654","0.00013","22.4084","0.0002","15.65661","0.00018","90","","103.018","0.0012","90","","3321.34","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F3 N2 O3 S Si -","- C31 H45 F3 N2 O3 S Si -","- C124 H180 F12 N8 O12 S4 Si4 -","4","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0379","0.0345","","","0.0866","0.0892","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034862","9.3958","0.0002","10.8527","0.0003","14.7369","0.0003","92.433","0.002","92.837","0.002","109.133","0.002","1415.23","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H35.5 Br0.5 F6 N3 O4 S2 Si -","- C21 H35.5 Br0.5 F6 N3 O4 S2 Si -","- C42 H71 Br F12 N6 O8 S4 Si2 -","2","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0301","0.0299","","","0.0792","0.0794","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034863","10.5595","0.0006","14.6325","0.0008","18.5185","0.001","97.231","0.004","94.146","0.004","110.557","0.006","2636.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H33 B2 F30 N5 Si -","- C52 H33 B2 F30 N5 Si -","- C104 H66 B4 F60 N10 Si2 -","2","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","0.71073","MoKα","","0.0523","0.0364","","","0.0777","0.085","","","","","","1.026","","","","has coordinates","138662","2020-10-21","18:00:00",""
"7034864","10.6572","0.0003","10.9091","0.0003","20.6522","0.0006","90","","90","","90","","2401.03","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 F3 N2 O5 S Si -","- C18 H33 F3 N2 O5 S Si -","- C72 H132 F12 N8 O20 S4 Si4 -","4","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0243","0.0238","","","0.0595","0.0598","","","","","","1.045","","","","has coordinates","138662","2020-10-21","18:00:00",""
"7034865","18.8522","0.0004","20.4483","0.0003","15.2041","0.0003","90","","110.952","0.002","90","","5473.58","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 F3 N3 O4 S Si -","- C22 H42 F3 N3 O4 S Si -","- C176 H336 F24 N24 O32 S8 Si8 -","8","2","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0428","0.0382","","","0.097","0.1003","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034866","9.0006","0.0002","13.4769","0.0002","14.1223","0.0002","90","","99.137","0.002","90","","1691.3","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H43 F3 N2 O3 S Si -","- C33 H43 F3 N2 O3 S Si -","- C66 H86 F6 N4 O6 S2 Si2 -","2","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0298","0.0294","","","0.0768","0.0773","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034867","9.2711","0.0005","16.7779","0.0008","22.7298","0.001","90","","96.201","0.004","90","","3514.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H43 Au F3 N2 O3 P S -","- C32 H39 Au F3 N2 O3 P S -","- C128 H156 Au4 F12 N8 O12 P4 S4 -","4","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","0.71073","MoKα","","0.0743","0.0453","","","0.0671","0.0746","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034868","13.3594","0.0004","14.4701","0.0005","18.7666","0.0006","90","","90.246","0.003","90","","3627.8","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Au F6 N3 O4 P S2 -","- C33 H39 Au F6 N3 O4 P S2 -","- C132 H156 Au4 F24 N12 O16 P4 S8 -","4","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","0.71073","MoKα","","0.0694","0.0382","","","0.061","0.0703","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034869","8.751","0.0005","11.0657","0.0006","15.6228","0.0008","73.544","0.005","79.645","0.005","83.429","0.004","1424.01","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35 F3 N2 O3 S -","- C30 H35 F3 N2 O3 S -","- C60 H70 F6 N4 O6 S2 -","2","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0552","0.0532","","","0.1344","0.1362","","","","","","1.061","","","","has coordinates,has disorder","138662","2020-10-21","18:00:00",""
"7034870","5.70846","0.00032","5.70846","","11.3823","0.0008","90","","90","","90","","370.91","0.03","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Se3.69 Sn Te0.31 Zn0.8 -","- Cu2.19968 Se3.6916 Sn Te0.30924 Zn0.8 -","- Cu4.39936 Se7.3832 Sn2 Te0.61848 Zn1.6 -","2","0.125","","Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.","Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9014","9019","10.1039/c5dt00910c","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.15988","","3.95","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034871","5.69703","0.00019","5.69703","","11.3608","0.0007","90","","90","","90","","368.73","0.03","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Se3.8 Sn Te0.2 Zn0.79 -","- Cu2.20003 Se3.802 Sn Te0.198 Zn0.78917 -","- Cu4.40006 Se7.604 Sn2 Te0.396 Zn1.57834 -","2","0.125","","Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.","Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9014","9019","10.1039/c5dt00910c","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.1249","","4.91","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034872","5.7151","0.0008","5.7151","","11.3974","0.0021","90","","90","","90","","372.27","0.09","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Se3.63 Sn Te0.37 Zn0.8 -","- Cu2.1999 Se3.63316 Sn Te0.36684 Zn0.80014 -","- Cu4.3998 Se7.26632 Sn2 Te0.73368 Zn1.60028 -","2","0.125","","Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.","Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9014","9019","10.1039/c5dt00910c","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.11299","","4.25","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034873","5.68351","0.00011","5.68351","","11.3311","0.0004","90","","90","","90","","366.02","0.015","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Se3.9 Sn Te0.1 Zn0.78 -","- Cu2.1998 Se3.9004 Sn Te0.0996 Zn0.7838 -","- Cu4.3996 Se7.8008 Sn2 Te0.1992 Zn1.5676 -","2","0.125","","Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S.","Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9014","9019","10.1039/c5dt00910c","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.10796","","3.68","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034874","8.9988","0.0006","34.279","0.002","9.3215","0.0007","90","","102.216","0.003","90","","2810.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 O4 P2 Rh Si -","- C22 H49 O4 P2 Rh Si -","- C88 H196 O16 P8 Rh4 Si4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0339","0.0258","","","0.0524","0.0551","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034875","18.0682","0.0013","9.0148","0.0006","17.3434","0.0013","90","","101.737","0.003","90","","2765.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H47 O4 P2 Rh Si -","- C21 H47 O4 P2 Rh Si -","- C84 H188 O16 P8 Rh4 Si4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0473","0.0314","","","0.0642","0.0695","","","","","","1.035","","","","has coordinates,has disorder","138663","2020-10-21","18:00:00",""
"7034876","9.9502","0.0003","14.1139","0.0003","14.7797","0.0005","90","","104.631","0.002","90","","2008.3","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H37 O P2 Rh -","- C17 H37 O P2 Rh -","- C68 H148 O4 P8 Rh4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0232","0.0188","","","0.0421","0.043","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034877","7.5908","0.0004","14.17","0.0007","18.0805","0.0008","93.393","0.0019","95.297","0.0018","90.279","0.0019","1932.96","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H35 O P2 Rh -","- C16 H35 O P2 Rh -","- C64 H140 O4 P8 Rh4 -","4","2","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0623","0.0386","","","0.0786","0.0857","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034878","10.103","0.004","36.29","0.01","12.187","0.006","90","","95.97","0.03","90","","4444","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H76 I2 P4 Rh2 -","- C37 H76 I2 P4 Rh2 -","- C148 H304 I8 P16 Rh8 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.071","0.0445","","","0.1032","0.1125","","","","","","0.796","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034879","10.0188","0.0003","14.3858","0.0003","15.0927","0.0006","90","","106.286","0.003","90","","2088","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 I O P2 Rh -","- C16 H34 I O P2 Rh -","- C64 H136 I4 O4 P8 Rh4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","","","0.0763","0.0473","","","0.0982","0.1139","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034880","14.504","0.0003","14.504","0.0003","18.6975","0.0005","90","","90","","90","","3933.32","0.16","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C15 H32 Cl O P2 Rh -","- C15 H32 Cl O P2 Rh -","- C120 H256 Cl8 O8 P16 Rh8 -","8","0.5","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0247","0.0194","","","0.0344","0.0354","","","","","","1.018","","","","has coordinates,has disorder","138663","2020-10-21","18:00:00",""
"7034881","20.9572","0.0006","9.8967","0.0003","18.3696","0.0006","90","","91.731","0.002","90","","3808.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H68 O2 P4 Rh2 -","- C32 H68 O2 P4 Rh2 -","- C128 H272 O8 P16 Rh8 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0433","0.0331","","","0.0793","0.0825","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034882","16.2527","0.0005","12.6551","0.0004","35.9245","0.0012","90","","90","","90","","7388.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H64 O2 P4 Rh2 -","- C30 H64 O2 P4 Rh2 -","- C240 H512 O16 P32 Rh16 -","8","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0859","0.0486","","","0.0783","0.0861","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034883","7.8101","0.0002","16.5834","0.0004","18.9331","0.0007","90","","90","","90","","2452.18","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 F5 O P2 Rh -","- C21 H32 F5 O P2 Rh -","- C84 H128 F20 O4 P8 Rh4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0318","0.0285","","","0.0663","0.0675","","","","","","1.042","","","","has coordinates","138663","2020-10-21","18:00:00",""
"7034884","14.0239","0.0007","14.4683","0.0007","21.9043","0.0015","100.8","0.006","101.549","0.006","109.797","0.004","3937","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H63 Bi3 I11 N5 Na2 O12 -","- C50 H63 Bi3 I11 N5 Na2 O12 -","- C100 H126 Bi6 I22 N10 Na4 O24 -","2","1","","Heine, Johanna","A step closer to the binary: the [Bi6I20](2-) anion.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10069","10077","10.1039/c5dt00813a","","","0.71073","MoKα","","0.079","0.0469","","","0.0909","0.1013","","","","","","0.858","","","","has coordinates","138684","2020-10-21","18:00:00",""
"7034885","13.7807","0.0006","14.9735","0.0007","23.0161","0.0009","85.62","0.003","88.702","0.003","74.572","0.003","4564.7","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H138 Bi8 I28 N14 Na4 O24 -","- C108 H138 Bi8 I28 N14 Na4 O24 -","- C108 H138 Bi8 I28 N14 Na4 O24 -","1","0.5","","Heine, Johanna","A step closer to the binary: the [Bi6I20](2-) anion.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10069","10077","10.1039/c5dt00813a","","","0.71073","MoKα","","0.1203","0.0594","","","0.1232","0.139","","","","","","0.832","","","","has coordinates","138684","2020-10-21","18:00:00",""
"7034886","14.372","0.003","19.388","0.003","19.648","0.004","96.034","0.005","100.883","0.005","102.49","0.005","5187.9","1.7","100","","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H69 Bi6 I20 N7 Na2 O12 -","- C54 H69 Bi6 I20 N7 Na2 O12 -","- C108 H138 Bi12 I40 N14 Na4 O24 -","2","1","","Heine, Johanna","A step closer to the binary: the [Bi6I20](2-) anion.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10069","10077","10.1039/c5dt00813a","","","0.71073","MoKα","","0.0827","0.0576","","","0.1085","0.1205","","","","","","1.119","","","","has coordinates","138684","2020-10-21","18:00:00",""
"7034887","19.4954","0.0011","16.2145","0.0006","23.33","0.0013","90","","92.905","0.005","90","","7365.3","0.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 Bi3 I11 K2 N3 O12 -","- C46 H57 Bi3 I11 K2 N3 O12 -","- C184 H228 Bi12 I44 K8 N12 O48 -","4","1","","Heine, Johanna","A step closer to the binary: the [Bi6I20](2-) anion.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10069","10077","10.1039/c5dt00813a","","","0.71073","MoKα","","0.0964","0.0666","","","0.1515","0.1618","","","","","","0.919","","","","has coordinates","138684","2020-10-21","18:00:00",""
"7034888","8.9223","0.0013","10.2903","0.0014","13.341","0.002","90.512","0.006","107.862","0.007","100.271","0.006","1144.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis-[2,6-di(pyrazol-1-yl)pyrid-4-yl]disulfide","","- C22 H16 N10 S2 -","- C22 H16 N10 S2 -","- C44 H32 N20 S4 -","2","1","","Kershaw Cook, Laurence J.; Fisher, Julie; Harding, Lindsay P.; Halcrow, Malcolm A.","An iron(ii) spin-crossover metallacycle from a back-to-back bis-[dipyrazolylpyridine].","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9417","9425","10.1039/c5dt00732a","","","0.71073","MoKα","","0.054","0.0413","","","0.1242","0.1406","","","","","","1.148","","","","has coordinates","138665","2020-10-21","18:00:00",""
"7034889","20.844","0.005","10.732","0.005","23.22","0.005","90","","114.682","0.005","90","","4720","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetracyano-meso-tetramethoxyphenylporphyrin","2,3,12,13-Tetracyano-meso-tetrakis(4'-methoxyphenyl)porphyrinato Ni(II)","","- C52 H32 N8 Ni O4 -","- C52 H32 N8 Ni O4 -","- C208 H128 N32 Ni4 O16 -","4","0.5","","Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan","Ratiometric and colorimetric ""naked eye"" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9149","9157","10.1039/c5dt00937e","","","0.71073","MoKα","","0.0805","0.0642","","","0.1952","0.2096","","","","","","1.074","","","","has coordinates","138713","2020-10-21","18:00:00",""
"7034890","14.154","0.005","15.514","0.005","16.154","0.005","61.669","0.005","78.484","0.005","86.358","0.005","3057.4","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ni-tetracyanotetramethoxyporphyrin","2,3,12,13-Tetracyano-meso-tetrakis(4'-methoxyphenyl)porphyrinato Ni(II) Cyanide","","- C69 H68 N10 Ni O4 -","- C69 H68 N10 Ni O4 -","- C138 H136 N20 Ni2 O8 -","2","1","","Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan","Ratiometric and colorimetric ""naked eye"" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9149","9157","10.1039/c5dt00937e","","","0.71073","MoKα","","0.0578","0.0437","","","0.1058","0.1163","","","","","","1.043","","","","has coordinates","138713","2020-10-21","18:00:00",""
"7034891","9.34","0.005","11.856","0.005","13.471","0.005","87.223","0.005","70.308","0.005","68.356","0.005","1300.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ni-tetracyanoTPP bis(pyridine) complex","2,3,12,13-Tetracyano-meso-tetraphenylporphyrinato Ni(II) bis(pyridine)","","- C58 H34 N10 Ni -","- C58 H34 N10 Ni -","- C58 H34 N10 Ni -","1","0.5","","Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan","Ratiometric and colorimetric ""naked eye"" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9149","9157","10.1039/c5dt00937e","","","0.71073","MoKα","","0.0719","0.0418","","","0.1178","0.1292","","","","","","1.024","","","","has coordinates","138713","2020-10-21","18:00:00",""
"7034892","14.4707","0.0009","27.1087","0.0015","10.802","0.0006","90","","110.527","0.002","90","","3968.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ni-mononitroheptachloroporphyrin","2-Nitro-3,7,8,12,13,17,18-heptachloro-meso-tetraphenylporphyrinato Ni(II)","","- C44 H20 Cl7 N6 Ni O0.5 -","- C44 H20 Cl7 N6 Ni O0.5 -","- C176 H80 Cl28 N24 Ni4 O2 -","4","1","","Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan","Ratiometric and colorimetric ""naked eye"" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9149","9157","10.1039/c5dt00937e","","","0.71073","MoKα","","0.0752","0.0534","","","0.1498","0.1618","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034893","14.505","0.001","27.0592","0.0017","10.7278","0.0007","90","","111.7","","90","","3912.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni-octachloroporphyrin","2,3,7,8,12,13,17,18-Octachloroporphyrinato nickel(II)","","- C44 H20 Cl8 N4 Ni -","- C44 H20 Cl8 N4 Ni -","- C176 H80 Cl32 N16 Ni4 -","4","1","","Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan","Ratiometric and colorimetric ""naked eye"" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9149","9157","10.1039/c5dt00937e","","","0.71073","MoKα","","0.0833","0.0421","","","0.091","0.1003","","","","","","0.896","","","","has coordinates","138713","2020-10-21","18:00:00",""
"7034894","16.679","0.003","16.679","0.003","16.933","0.003","90","","90","","90","","4710.6","1.5","93","","93","","","","","","","","","4","P 4/n c c","-P 4a 2ac","130","","","","- C46 H70 N4 O7 -","- C44 H64 N4 O6 -","- C176 H256 N16 O24 -","4","","","Nakai, Hidetaka; Nonaka, Kyoshiro; Goto, Takahiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji","A macrocyclic tetraamine bearing four phenol groups: a new class of heptadentate ligands to provide an oxygen-sensitive luminescent Tb(iii) complex with an extendable phenol pendant arm.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10923","10927","10.1039/c5dt00816f","","","0.71075","MoKα","","0.1066","0.102","","","0.252","0.2534","","","","","","1.072","","","","has coordinates","143600","2020-10-21","18:00:00",""
"7034895","9.966","0.002","23.022","0.005","19.964","0.004","90","","90.782","0.003","90","","4580.1","1.6","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H69 N4 O7 Tb -","- C47 H69 N4 O7 Tb -","- C188 H276 N16 O28 Tb4 -","4","1","","Nakai, Hidetaka; Nonaka, Kyoshiro; Goto, Takahiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji","A macrocyclic tetraamine bearing four phenol groups: a new class of heptadentate ligands to provide an oxygen-sensitive luminescent Tb(iii) complex with an extendable phenol pendant arm.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10923","10927","10.1039/c5dt00816f","","","0.71075","MoKα","","0.0601","0.0478","","","0.1045","0.1126","","","","","","1.064","","","","has coordinates","143600","2020-10-21","18:00:00",""
"7034896","15.798","0.003","16.162","0.003","18.914","0.004","90","","105.204","0.003","90","","4660.2","1.6","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 N5 O6 Tb -","- C47 H64 N5 O6 Tb -","- C188 H256 N20 O24 Tb4 -","4","1","","Nakai, Hidetaka; Nonaka, Kyoshiro; Goto, Takahiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji","A macrocyclic tetraamine bearing four phenol groups: a new class of heptadentate ligands to provide an oxygen-sensitive luminescent Tb(iii) complex with an extendable phenol pendant arm.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10923","10927","10.1039/c5dt00816f","","","0.71075","MoKα","","0.0588","0.0479","","","0.1123","0.1201","","","","","","1.093","","","","has coordinates","143600","2020-10-21","18:00:00",""
"7034897","18.5263","0.0006","19.3393","0.0006","18.2222","0.0004","90","","90.283","0.002","90","","6528.7","0.3","149.95","0.1","149.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn(TpivPP)(1-MeIm)]THF","","","- C72 H78 Mn N10 O5 -","- C72 H78 Mn N10 O5 -","- C288 H312 Mn4 N40 O20 -","4","0.5","","Yu, Qiang; Liu, Yanhong; Liu, Diansheng; Li, Jianfeng","Geometric and electronic structures of five-coordinate manganese(ii) ""picket fence"" porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9382","9390","10.1039/c5dt00685f","","","0.71073","MoKα","","0.0765","0.0519","","","0.1255","0.1382","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034898","18.5198","0.0007","19.3485","0.0006","18.1151","0.0007","90","","90.559","0.001","90","","6490.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(TpivPP)(1-EtIm)]CH2Cl2","","","- C70 H74 Cl2 Mn N10 O4 -","- C70 H74 Cl2 Mn N10 O4 -","- C280 H296 Cl8 Mn4 N40 O16 -","4","1","","Yu, Qiang; Liu, Yanhong; Liu, Diansheng; Li, Jianfeng","Geometric and electronic structures of five-coordinate manganese(ii) ""picket fence"" porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9382","9390","10.1039/c5dt00685f","","","0.71073","MoKα","","0.0796","0.0559","","","0.1416","0.1633","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034899","18.5139","0.0005","19.1542","0.0005","18.2771","0.0004","90","","90.646","0.002","90","","6481","0.3","121","2","121","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn(TpivPP)(2-MeHIm)]0.2(EtOH)","","","- C68.4 H71.2 Mn N10 O4.2 -","- C68.4 H71.2 Mn N10 O4.2 -","- C273.6 H284.8 Mn4 N40 O16.8 -","4","0.5","","Yu, Qiang; Liu, Yanhong; Liu, Diansheng; Li, Jianfeng","Geometric and electronic structures of five-coordinate manganese(ii) ""picket fence"" porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9382","9390","10.1039/c5dt00685f","","","0.71073","MoKα","","0.1249","0.0954","","","0.2758","0.3081","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034900","13.725","0.003","14.074","0.003","14.187","0.003","114.15","0.03","114.2","0.03","98.24","0.03","2115.6","1.5","100","2","100","2","","","","","","","Lithium nitrate hexahydrate, Tetrakis(4-carboxyphenyl)silane, N,N-Diethylformamide, Ethanol","6","P -1","-P 1","2","","LiTCS","","- C40 H44 Li4 N2 O11 Si -","- C40 H44 Li4 N2 O11 Si -","- C80 H88 Li8 N4 O22 Si2 -","2","1","","Lee, Jae Hwa; Moon, Byoungnam; Kim, Tae Kyung; Jeoung, Sungeun; Moon, Hoi Ri","Thermal conversion of a tailored metal-organic framework into lithium silicate with an unusual morphology for efficient CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15130","15134","10.1039/c5dt00690b","","","0.64999","synchrotron","","0.0663","0.0577","","","0.1731","0.1816","","","","","","1.075","","","","has coordinates,has disorder","161668","2020-10-21","18:00:00",""
"7034901","8.105","0.003","16.969","0.005","17.666","0.006","90","","102.495","0.005","90","","2372.1","1.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu4 N6 O12 -","- C12 H10 Cu4 N6 O12 -","- C48 H40 Cu16 N24 O48 -","4","1","","Wang, Xing-Po; Zhao, Ya-Qin; Jagličić, Zvonko; Wang, Su-Na; Lin, Shu-Jie; Li, Xiao-Yi; Sun, Di","Controlled in situ reaction for the assembly of Cu(ii) mixed-ligand coordination polymers: synthesis, structure, mechanistic insights, magnetism and catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11013","11020","10.1039/c5dt01206f","","","0.71073","MoKα","","0.0769","0.056","","","0.1423","0.1511","","","","","","1.057","","","","has coordinates","143604","2020-10-21","18:00:00",""
"7034902","7.844","0.003","7.8009","0.0029","15.3089","0.0059","90","","92.7816","0.0102","90","","935.7","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","0.71073","MoKα","","0.051","0.0415","","","0.0905","0.0956","","","","","","1.105","","","","has coordinates","153193","2020-10-21","18:00:00",""
"7034903","8.9648","0.0003","18.838","0.0006","9.4411","0.0003","90","","99.349","0.001","90","","1573.22","0.09","173","","173","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H24 B2 Co F4 N8 O4 -","- C32 H24 B2 Co F4 N8 O4 -","- C64 H48 B4 Co2 F8 N16 O8 -","2","0.25","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","0.71073","MoKα","","0.0338","0.0274","","","0.0814","0.0961","","","","","","1.202","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034904","12.229","0.0001","15.5856","0.0002","13.2069","0.0001","90","","98.838","0.001","90","","2487.3","0.04","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C46 H53 B2 Co F4 N7 Na O12 -","- C46 H53 B2 Co F4 N7 Na O12 -","- C92 H106 B4 Co2 F8 N14 Na2 O24 -","2","0.5","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","1.54184","CuKα","","0.048","0.0447","","","0.1223","0.1263","","","","","","0.933","","","","has coordinates,has disorder","153193","2020-10-21","18:00:00",""
"7034905","15.568","0.006","20.73","0.008","22.817","0.009","90","","95.249","0.007","90","","7333","5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 B2 Co F4 K2 N6 O17 -","- C72 H76 B2 Co F4 K2 N6 O17 -","- C288 H304 B8 Co4 F16 K8 N24 O68 -","4","1","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","1.54184","CuKα","","0.065","0.0533","","","0.1422","0.1519","","","","","","1.045","","","","has coordinates","153193","2020-10-21","18:00:00",""
"7034906","12.9854","0.0006","19.0412","0.0009","14.1063","0.0008","90","","93.331","0.005","90","","3482","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 B2 Co F4 K2 N4 O20 -","- C64 H92 B2 Co F4 K2 N4 O20 -","- C128 H184 B4 Co2 F8 K4 N8 O40 -","2","0.5","","Williams, Owen M.; Cowley, Alan H.; Rose, Michael J.","Structural and electronic characterization of multi-electron reduced naphthalene (BIAN) cobaloximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13017","13029","10.1039/c5dt00924c","","","1.54184","CuKα","","0.0696","0.0547","","","0.1493","0.1637","","","","","","1.042","","","","has coordinates","153193","2020-10-21","18:00:00",""
"7034907","11.785","0.002","21.887","0.004","12.845","0.002","90","","117.128","0.0019","90","","2948.7","0.9","98","2","98","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H45 Cl8 F4 Fe N4 S Si -","- C55 H45 Cl8 F4 Fe N4 S Si -","- C110 H90 Cl16 F8 Fe2 N8 S2 Si2 -","2","1","","Meininger, Daniel J.; Muzquiz, Nicanor; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, characterization, and atropisomerism of iron complexes containing the tetrakis(2-chloro-6-fluorophenyl)porphyrinate ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9486","9495","10.1039/c5dt01122a","","","0.71073","MoKα","","0.0722","0.0685","","","0.152","0.1545","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034908","23.3783","0.0004","10.11539","0.00014","23.8296","0.0004","90","","117.13","0.002","90","","5015.22","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H31 B F15 Ir N3 P -","- C59 H31 B F15 Ir N3 P -","- C236 H124 B4 F60 Ir4 N12 P4 -","4","1","","Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15135","15144","10.1039/c5dt00904a","","","1.54178","CuKα","","0.0325","0.0317","","","0.0816","0.0822","","","","","","1.107","","","","has coordinates","161673","2020-10-21","18:00:00",""
"7034909","21.9289","0.0003","13.81974","0.00014","16.704","0.0002","90","","112.286","0.0015","90","","4684.03","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H17 B Cl2 F19 Ir N4 -","- C48.5 H17 B Cl2 F19 Ir N4 -","- C194 H68 B4 Cl8 F76 Ir4 N16 -","4","1","","Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15135","15144","10.1039/c5dt00904a","","","1.54178","CuKα","","0.0399","0.034","","","0.0949","0.0994","","","","","","1.059","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034910","16.5174","0.0006","17.2287","0.0004","17.8271","0.0005","90","","105.839","0.003","90","","4880.5","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 B Cl F4 Ir N4 O1.5 -","- C54 H46 B Cl F4 Ir N4 O1.5 -","- C216 H184 B4 Cl4 F16 Ir4 N16 O6 -","4","1","","Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15135","15144","10.1039/c5dt00904a","","","1.54178","CuKα","","0.0287","0.0271","","","0.0729","0.0744","","","","","","1.049","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034911","8.2471","0.0009","13.794","0.002","15.1499","0.0017","90","","95.689","0.009","90","","1715","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Mn N4 -","- C13 H28 Cl2 Mn N4 -","- C52 H112 Cl8 Mn4 N16 -","4","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.0891","0.0523","","","0.1286","0.1417","","","","","","0.932","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034912","9.565","0.003","14.488","0.003","14.644","0.004","90","","92.3","0.02","90","","2027.7","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 F6 Mn N4 P -","- C13 H28 Cl2 F6 Mn N4 P -","- C52 H112 Cl8 F24 Mn4 N16 P4 -","4","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.1535","0.0819","","","0.2253","0.2704","","","","","","0.981","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034913","9.5547","0.0007","14.1978","0.0007","14.5613","0.001","90","","92.613","0.006","90","","1973.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Co F6 N4 P -","- C13 H28 Cl2 Co F6 N4 P -","- C52 H112 Cl8 Co4 F24 N16 P4 -","4","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.0693","0.0451","","","0.1162","0.1212","","","","","","0.884","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034914","8.0397","0.0008","30.477","0.003","8.961","0.0008","90","","94.189","0.008","90","","2189.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 Cl2 Co F6 N5 P -","- C15 H31 Cl2 Co F6 N5 P -","- C60 H124 Cl8 Co4 F24 N20 P4 -","4","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.136","0.0508","","","0.0951","0.116","","","","","","0.765","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034915","7.2751","0.0005","27.652","0.002","9.5242","0.0007","90","","106.512","0.006","90","","1837","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 Cl2 Cu N4 O2 -","- C13 H32 Cl2 Cu N4 O2 -","- C52 H128 Cl8 Cu4 N16 O8 -","4","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.0791","0.0629","","","0.1617","0.1701","","","","","","0.98","","","","has coordinates,has disorder","143644","2020-10-21","18:00:00",""
"7034916","8.752","0.001","9.3289","0.001","14.889","0.002","72.755","0.01","89.362","0.01","63.372","0.008","1027.2","0.2","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H63 Cl6 N9 O2 Zn3 -","- C28 H63 Cl6 N9 O2 Zn3 -","- C28 H63 Cl6 N9 O2 Zn3 -","1","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.1637","0.1012","","","0.2497","0.2773","","","","","","0.898","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034917","25.8872","0.0012","25.8872","0.0012","17.1214","0.0008","90","","90","","120","","9936.7","0.8","150","2","150","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C15 H33 F6 N4 O3 P Zn -","- C15 H33 F6 N4 O3 P Zn -","- C270 H594 F108 N72 O54 P18 Zn18 -","18","1","","Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J.","Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12210","12224","10.1039/c5dt00742a","","","0.71073","MoKα","","0.0546","0.0429","","","0.1042","0.1106","","","","","","0.994","","","","has coordinates","143644","2020-10-21","18:00:00",""
"7034918","22.1679","0.0014","12.3675","0.0008","22.2899","0.0014","90","","101.86","0.001","90","","5980.6","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B40 Cu2 F6 N2 O8 -","- C24 H52 B40 Cu2 F6 N2 O8 -","- C96 H208 B160 Cu8 F24 N8 O32 -","4","1","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.0926","0.0586","","","0.1761","0.1907","","","","","","1.097","","","","has coordinates,has disorder","138599","2020-10-21","18:00:00",""
"7034919","13.36","0.008","13.632","0.008","24.431","0.014","76.585","0.01","75.857","0.009","60.941","0.009","3738","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 B40 Cu2 N4 O8 -","- C36 H72 B40 Cu2 N4 O8 -","- C72 H144 B80 Cu4 N8 O16 -","2","1","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.0871","0.0609","","","0.1859","0.2023","","","","","","1.039","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034920","7.1845","0.0019","10.92","0.003","12.489","0.003","70.332","0.004","83.34","0.004","71.536","0.004","875.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 B20 Cu N2 O4 -","- C20 H40 B20 Cu N2 O4 -","- C20 H40 B20 Cu N2 O4 -","1","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.056","0.0424","","","0.1084","0.1131","","","","","","1.079","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034921","10.3183","0.0012","13.4725","0.0016","22.1272","0.0019","90","","117.257","0.004","90","","2734.4","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 B40 Cu2 O10 -","- C20 H60 B40 Cu2 O10 -","- C40 H120 B80 Cu4 O20 -","2","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.0728","0.0595","","","0.1764","0.1905","","","","","","1.047","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034922","11.764","0.003","13.327","0.003","13.366","0.003","99.539","0.003","115.311","0.003","112.975","0.003","1598.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B40 Cu2 N4 O8 -","- C32 H64 B40 Cu2 N4 O8 -","- C32 H64 B40 Cu2 N4 O8 -","1","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.1445","0.1297","","","0.4524","0.4613","","","","","","2.032","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034923","10.4393","0.0018","13.51","0.002","22.149","0.003","90","","117.38","0.006","90","","2773.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 B40 Cu2 N2 O8 -","- C22 H54 B40 Cu2 N2 O8 -","- C44 H108 B80 Cu4 N4 O16 -","2","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.1492","0.092","","","0.2735","0.3179","","","","","","1.047","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034924","25.36","0.02","20.832","0.017","12.538","0.011","90","","106.308","0.013","90","","6357","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 B40 Cu2 N2 O9 -","- C24 H60 B40 Cu2 N2 O9 -","- C96 H240 B160 Cu8 N8 O36 -","4","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Fontrodona, Xavier; Romero, Isabel; Viñas, Clara; Teixidor, Francesc","Intramolecular hydrogen bonding stabilizes the nuclearity of complexes. A comparative study based on the H-carborane and Me-carborane framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10399","10409","10.1039/c5dt00305a","","","0.71073","MoKα","","0.0927","0.0699","","","0.2226","0.2408","","","","","","1.046","","","","has coordinates","138599","2020-10-21","18:00:00",""
"7034925","19.7331","0.0005","14.8638","0.0005","19.2351","0.0006","90","","100.017","0.002","90","","5555.8","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N7 O3 -","- C30 H27 N7 O3 -","- C240 H216 N56 O24 -","8","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1086","0.0531","","","0.1301","0.1557","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034926","7.6711","0.0005","11.9923","0.0009","16.3251","0.0011","71.874","0.005","85.255","0.005","87.127","0.005","1421.92","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Br N7 O3 -","- C30 H28 Br N7 O3 -","- C60 H56 Br2 N14 O6 -","2","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.0821","0.0421","","","0.0766","0.0875","","","","","","0.99","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034927","7.7036","0.0007","12.0659","0.0011","16.4604","0.0014","72.706","0.005","84.786","0.005","86.852","0.005","1454.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 I N7 O3 -","- C30 H28 I N7 O3 -","- C60 H56 I2 N14 O6 -","2","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1314","0.0583","","","0.1199","0.1429","","","","","","0.908","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034928","7.7878","0.0005","11.9857","0.0008","16.6759","0.0012","71.155","0.004","84.92","0.004","88.018","0.004","1467.31","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H58 N16 O13 -","- C60 H56 N16 O13 -","- C60 H56 N16 O13 -","1","0.5","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1004","0.065","","","0.2003","0.2364","","","","","","0.946","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034929","7.7883","0.0013","12.119","0.002","16.814","0.003","73.176","0.01","84.484","0.009","86.573","0.011","1511.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl N7 O7 -","- C30 H28 Cl N7 O7 -","- C60 H56 Cl2 N14 O14 -","2","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1324","0.0832","","","0.2649","0.3068","","","","","","1.096","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034930","28.7467","0.0016","18.6826","0.0016","16.7739","0.0011","90","","111.627","0.004","90","","8374.5","1","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C192 H172 F8 N28 O27 -","- C192 H172 F8 N28 O27 -","- C384 H344 F16 N56 O54 -","2","0.25","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.0859","0.0519","","","0.147","0.1892","","","","","","1.158","","","","has coordinates,has disorder","161678","2020-10-21","18:00:00",""
"7034931","9.4588","0.0005","13.6915","0.0007","20.4866","0.001","91.493","0.003","94.733","0.002","103.295","0.002","2570.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Br N7 O6 -","- C48 H40 Br N7 O6 -","- C96 H80 Br2 N14 O12 -","2","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.0874","0.0573","","","0.1704","0.1852","","","","","","1.031","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034932","16.7671","0.0005","18.6175","0.0005","28.0023","0.001","90","","102.197","0.003","90","","8543.9","0.5","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C48 H42 N8 O10 -","- C48 H40 N8 O10 -","- C384 H320 N64 O80 -","8","1","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1103","0.0711","","","0.2733","0.315","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034933","15.932","0.001","18.5172","0.0006","36.597","0.002","90","","98.905","0.006","90","","10666.6","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H40 Cl N7 O10 -","- C48 H40 Cl N7 O10 -","- C384 H320 Cl8 N56 O80 -","8","2","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.2866","0.0977","","","0.2061","0.2438","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034934","13.032","0.0008","13.7659","0.0009","15.566","0.0011","99.496","0.005","108.367","0.005","101.296","0.005","2520.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H102 F6 N16 O18 Si -","- C102 H102 F6 N16 O18 Si -","- C102 H102 F6 N16 O18 Si -","1","0.5","","Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal","Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15220","15231","10.1039/c5dt00369e","","","0.71073","MoKα","","0.1958","0.0732","","","0.1985","0.2639","","","","","","0.971","","","","has coordinates","161678","2020-10-21","18:00:00",""
"7034935","8.4911","0.0004","10.3695","0.0004","17.1054","0.0011","98.487","0.004","100.945","0.005","92.939","0.004","1457.63","0.13","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","[2-(2,4-difluorophenylpyridine-κ","","- C59 H16 Au2 Cl2 F34 N2 -","- C59 H16 Au2 Cl2 F34 N2 -","- C59 H16 Au2 Cl2 F34 N2 -","1","0.5","","Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10003","10013","10.1039/c5dt00405e","","","0.71073","MoKα","","0.0448","0.0349","","","0.0731","0.0775","","","","","","1.049","","","","has coordinates,has disorder","138685","2020-10-21","18:00:00",""
"7034936","13.4052","0.0008","13.8638","0.0006","16.8973","0.0012","83.044","0.004","68.83","0.006","80.73","0.004","2883.4","0.3","183","1","183","1","","","","","","","","5","P -1","-P 1","2","","tris(pentafluorophenyl)[4-phenylpyridine-κN]gold(III) hexane solvate 8:1","","- C119 H43 Au4 F60 N4 -","- C119 H43 Au4 F60 N4 -","- C119 H43 Au4 F60 N4 -","1","0.5","","Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10003","10013","10.1039/c5dt00405e","","","0.71073","MoKα","","0.08","0.0552","","","0.1197","0.1326","","","","","","1.031","","","","has coordinates,has disorder","138685","2020-10-21","18:00:00",""
"7034937","7.9254","0.0004","18.503","0.004","18.4895","0.0011","90","","97.579","0.005","90","","2687.7","0.6","183","1","183","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(pentafluorophenyl)[2-phenylpyridine-κN]gold(III)","","- C29 H9 Au F15 N -","- C29 H9 Au F15 N -","- C116 H36 Au4 F60 N4 -","4","1","","Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10003","10013","10.1039/c5dt00405e","","","0.71073","MoKα","","0.031","0.0246","","","0.0568","0.0597","","","","","","1.036","","","","has coordinates","138685","2020-10-21","18:00:00",""
"7034938","11.2092","0.0003","12.1878","0.0003","12.5527","0.0003","104.977","0.002","106.125","0.002","98.915","0.002","1543.23","0.07","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","tris(pentafluorophenyl)[1-phenylisoquinoline-κ","","- C70 H32 Au2 F30 N2 O -","- C70 H32 Au2 F30 N2 O -","- C70 H32 Au2 F30 N2 O -","1","0.5","","Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10003","10013","10.1039/c5dt00405e","","","0.71073","MoKα","","0.027","0.0242","","","0.0571","0.0587","","","","","","1.066","","","","has coordinates,has disorder","138685","2020-10-21","18:00:00",""
"7034939","7.9119","0.0002","18.0726","0.0004","18.4278","0.0004","90","","97.163","0.002","90","","2614.4","0.11","183","1","183","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris(pentafluorophenyl)[2-thiophen-2-ylpyridine-κ<i>N</i>]gold(III)","","- C27 H7 Au F15 N S -","- C27 H7 Au F15 N S -","- C108 H28 Au4 F60 N4 S4 -","4","1","","Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10003","10013","10.1039/c5dt00405e","","","0.71073","MoKα","","0.0241","0.0218","","","0.0536","0.0549","","","","","","1.039","","","","has coordinates,has disorder","138685","2020-10-21","18:00:00",""
"7034940","11.1154","0.0012","12.4412","0.0012","13.0127","0.0014","72.868","0.004","70.445","0.004","86.568","0.004","1619","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 Ga N2 O -","- C35 H47 Ga N2 O -","- C70 H94 Ga2 N4 O2 -","2","1","","Ghosh, Swarup; Gowda, Ravikumar R.; Jagan, Rajamony; Chakraborty, Debashis","Gallium and indium complexes containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10410","10422","10.1039/c5dt00811e","","","0.71073","MoKα","","0.0825","0.0528","","","0.1112","0.1251","","","","","","1.053","","","","has coordinates","138600","2020-10-21","18:00:00",""
"7034941","26.356","0.003","10.1106","0.0011","21.7876","0.0018","90","","112.909","0.004","90","","5347.9","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Ga N2 O -","- C25 H43 Ga N2 O -","- C200 H344 Ga8 N16 O8 -","8","2","","Ghosh, Swarup; Gowda, Ravikumar R.; Jagan, Rajamony; Chakraborty, Debashis","Gallium and indium complexes containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10410","10422","10.1039/c5dt00811e","","","0.71073","MoKα","","0.1308","0.0769","","","0.1608","0.1865","","","","","","1.054","","","","has coordinates,has disorder","138600","2020-10-21","18:00:00",""
"7034942","13.0818","0.0002","14.6943","0.0002","18.6957","0.0003","90","","90","","90","","3593.84","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl4 Ga N2 O -","- C33 H43 Cl4 Ga N2 O -","- C132 H172 Cl16 Ga4 N8 O4 -","4","1","","Ghosh, Swarup; Gowda, Ravikumar R.; Jagan, Rajamony; Chakraborty, Debashis","Gallium and indium complexes containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10410","10422","10.1039/c5dt00811e","","","0.71073","MoKα","","0.0288","0.0238","","","0.0518","0.0524","","","","","","0.967","","","","has coordinates","138600","2020-10-21","18:00:00",""
"7034943","8.976","0.004","10.699","0.005","11.57","0.006","99.393","0.008","104.513","0.008","102.434","0.008","1022.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cu2 N6 O13 -","- C36 H42 Cu2 N6 O13 -","- C36 H42 Cu2 N6 O13 -","1","0.5","","Wu, Wei-Ping; Li, Zhi-Sen; Liu, Bo; Liu, Ping; Xi, Zheng-Ping; Wang, Yao-Yu","Double-step CO2 sorption and guest-induced single-crystal-to-single-crystal transformation in a flexible porous framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10141","10145","10.1039/c5dt00460h","","","0.71073","MoKα","","0.0723","0.0481","","","0.1376","0.173","","","","","","1.036","","","","has coordinates","138601","2020-10-21","18:00:00",""
"7034944","10.665","0.015","12.107","0.016","16.77","0.02","80.14","0.02","88.09","0.02","69.37","0.02","1996","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O12 -","- C30 H32 Cu2 N4 O12 -","- C60 H64 Cu4 N8 O24 -","2","1","","Wu, Wei-Ping; Li, Zhi-Sen; Liu, Bo; Liu, Ping; Xi, Zheng-Ping; Wang, Yao-Yu","Double-step CO2 sorption and guest-induced single-crystal-to-single-crystal transformation in a flexible porous framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10141","10145","10.1039/c5dt00460h","","","0.71073","MoKα","","0.1797","0.103","","","0.2577","0.2889","","","","","","1.002","","","","has coordinates","138601","2020-10-21","18:00:00",""
"7034945","16.504","0.003","18.636","0.004","37.36","0.01","90","","114.11","0.03","90","","10488","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H47 Cu3 F54 N8 O22 Yb -","- C79 H47 Cu3 F54 N8 O22 Yb -","- C316 H188 Cu12 F216 N32 O88 Yb4 -","4","1","","Zhu, Mei; Wang, Juanjuan; Yang, Meng; Ma, Yue; Li, Licun","Slow magnetic relaxation in two-dimensional 3d-4f complexes based on phenyl pyrimidyl substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9815","9822","10.1039/c4dt03330b","","","0.71073","MoKα","","0.1321","0.0826","","","0.1888","0.2235","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034946","16.778","0.003","19.856","0.003","37.103","0.005","90","","116.198","0.006","90","","11091","3","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C81 H51 Cl4 Cu3 F54 N8 O22 Tb -","- C81 H51 Cl4 Cu3 F54 N8 O22 Tb -","- C324 H204 Cl16 Cu12 F216 N32 O88 Tb4 -","4","1","","Zhu, Mei; Wang, Juanjuan; Yang, Meng; Ma, Yue; Li, Licun","Slow magnetic relaxation in two-dimensional 3d-4f complexes based on phenyl pyrimidyl substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9815","9822","10.1039/c4dt03330b","","","0.71073","MoKα","","0.0963","0.0776","","","0.1894","0.2025","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034947","16.6213","0.0004","18.7644","0.0008","37.4656","0.0009","90","","114.176","0.002","90","","10660.2","0.6","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H47 Cu3 F54 Ho N8 O22 -","- C79 H47 Cu3 F54 Ho N8 O22 -","- C316 H188 Cu12 F216 Ho4 N32 O88 -","4","1","","Zhu, Mei; Wang, Juanjuan; Yang, Meng; Ma, Yue; Li, Licun","Slow magnetic relaxation in two-dimensional 3d-4f complexes based on phenyl pyrimidyl substituted nitronyl nitroxide radicals.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9815","9822","10.1039/c4dt03330b","","","0.71073","MoKα","","0.1198","0.0732","","","0.1761","0.2076","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034948","8.099","0.016","8.497","0.017","16.14","0.03","77.34","0.03","75.64","0.02","70.47","0.03","1003","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H10 Br Cl Mn N O4 -","- C21 H10 Br Cl Mn N O4 -","- C42 H20 Br2 Cl2 Mn2 N2 O8 -","2","1","","Carrington, Samantha J.; Chakraborty, Indranil; Mascharak, Pradip K.","Exceptionally rapid CO release from a manganese(i) tricarbonyl complex derived from bis(4-chloro-phenylimino)acenaphthene upon exposure to visible light.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13828","13834","10.1039/c5dt01007a","","","0.71073","MoKα","","0.1229","0.0593","","","0.1295","0.1616","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034949","11.4714","0.0008","13.0857","0.001","16.9748","0.0012","90","","92.582","0.001","90","","2545.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 Br Cl2 Mn N2 O3 -","- C27 H14 Br Cl2 Mn N2 O3 -","- C108 H56 Br4 Cl8 Mn4 N8 O12 -","4","1","","Carrington, Samantha J.; Chakraborty, Indranil; Mascharak, Pradip K.","Exceptionally rapid CO release from a manganese(i) tricarbonyl complex derived from bis(4-chloro-phenylimino)acenaphthene upon exposure to visible light.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13828","13834","10.1039/c5dt01007a","","","0.71073","MoKα","","0.0789","0.0744","","","0.1835","0.1858","","","","","","1.193","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034950","28.044","0.002","9.6262","0.0007","8.2546","0.0006","90","","90","","90","","2228.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Eu N O9 -","- C20 H20 Eu N O9 -","- C80 H80 Eu4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0328","0.0255","","","0.0496","0.0519","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034951","28.017","0.003","9.6175","0.0009","8.2586","0.0007","90","","90","","90","","2225.3","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Gd N O9 -","- C20 H20 Gd N O9 -","- C80 H80 Gd4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0244","0.0207","","","0.0418","0.0431","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034952","27.951","0.004","9.6124","0.0013","8.1937","0.0011","90","","90","","90","","2201.5","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Dy N O9 -","- C20 H20 Dy N O9 -","- C80 H80 Dy4 N4 O36 -","4","1","","Wang, Xin; Zhao, Jie; Zhao, Yan; Xu, Heng; Shen, Xuan; Zhu, Dun-Ru; Jing, Su","Three sra topological lanthanide-organic frameworks built from 2,2'-dimethoxy-4,4'-biphenyldicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9281","9288","10.1039/c5dt00602c","","","0.71073","MoKα","","0.0339","0.0251","","","0.0494","0.0521","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034953","15.4568","0.0012","15.5903","0.0008","16.3952","0.0011","90","","90","","90","","3950.9","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H49 Cl N3 O P2 Rh -","- C25 H49 Cl N3 O P2 Rh -","- C100 H196 Cl4 N12 O4 P8 Rh4 -","4","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","0.71073","MoKα","","0.0625","0.0447","","","0.1065","0.1171","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034954","18.9974","0.0002","8.2894","0.0001","19.8778","0.0002","90","","91.361","0.001","90","","3129.41","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N3 O0 P3 Rh -","- C30 H49 N3 P2 Rh -","- C120 H196 N12 P8 Rh4 -","4","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","1.54178","CuKα","","0.0337","0.03","","","0.0797","0.0881","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034955","22.5273","0.0004","8.11695","0.00015","14.1994","0.0002","90","","90","","90","","2596.4","0.08","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H40 N3 O P2 Rh -","- C22 H40 N3 O P2 Rh -","- C88 H160 N12 O4 P8 Rh4 -","4","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","1.54184","CuKα","","0.0342","0.0314","","","0.0801","0.0835","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034956","8.15073","0.00017","23.7055","0.0006","8.4853","0.0002","90","","100.062","0.002","90","","1614.29","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H46 N3 O7 P2 Rh -","- C25 H46 N3 O7 P2 Rh -","- C50 H92 N6 O14 P4 Rh2 -","2","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","1.54184","CuKα","","0.0519","0.0464","","","0.11","0.1157","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034957","13.7473","0.0004","7.1687","0.0002","14.4831","0.0003","90","","90","","90","","1427.31","0.06","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cl2 Fe N5 S -","- C12 H8 Cl2 Fe N5 S -","- C48 H32 Cl8 Fe4 N20 S4 -","4","0.5","","Harriman, Katie L. M.; Leitch, Alicea A.; Stoian, Sebastian A.; Habib, Fatemah; Kneebone, Jared L.; Gorelsky, Serge I.; Korobkov, Ilia; Desgreniers, Serge; Neidig, Michael L.; Hill, Stephen; Murugesu, Muralee; Brusso, Jaclyn L.","Ambivalent binding between a radical-based pincer ligand and iron.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10516","10523","10.1039/c5dt01374g","","","0.71073","MoKα","","0.0218","0.0206","","","0.0579","0.059","","","","","","1.066","","","","has coordinates","138602","2020-10-21","18:00:00",""
"7034958","21.2856","0.0016","7.6356","0.0006","18.369","0.0012","90","","93.092","0.006","90","","2981.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Mg N2 O4 -","- C38 H40 Mg N2 O4 -","- C152 H160 Mg4 N8 O16 -","4","0.5","","Peng, Kuo-Fu; Chen, Yun; Chen, Chi-Tien","Synthesis and catalytic application of magnesium complexes bearing pendant indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9610","9619","10.1039/c5dt01173f","","","0.71073","MoKα","","0.0773","0.0527","","","0.1411","0.1489","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034959","14.9449","0.0004","14.0155","0.0003","15.4168","0.0004","90","","93.83","0.002","90","","3221.99","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Mg N2 O2 S2 -","- C38 H40 Mg N2 O2 S2 -","- C152 H160 Mg4 N8 O8 S8 -","4","1","","Peng, Kuo-Fu; Chen, Yun; Chen, Chi-Tien","Synthesis and catalytic application of magnesium complexes bearing pendant indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9610","9619","10.1039/c5dt01173f","","","0.71073","MoKα","","0.0816","0.0555","","","0.1481","0.1571","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034960","20.846","0.005","17.594","0.005","29.817","0.007","90","","90.721","0.005","90","","10935","5","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C55 H42 B Cl0 Cu F4 N4 O P2 -","- C55 H42 B Cu F4 N4 O P2 -","- C440 H336 B8 Cu8 F32 N32 O8 P16 -","8","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10022","10029","10.1039/c5dt01108f","","","0.71073","MoKα","","0.0992","0.0946","","","0.3033","0.3088","","","","","","1.162","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034961","22.9549","0.001","21.372","0.0015","24.8432","0.0009","90","","111.602","0.004","90","","11331.8","1.1","100","0.11","100","0.11","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 B Cu F4 N5 O1.5 P2 -","- C68 H52 B Cu F4 N5 O1.5 P2 -","- C544 H416 B8 Cu8 F32 N40 O12 P16 -","8","2","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10022","10029","10.1039/c5dt01108f","","","1.54178","CuKα","","0.1108","0.0652","","","0.1622","0.1956","","","","","","0.865","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034962","11.2117","0.0006","11.6277","0.0008","20.2682","0.0012","92.924","0.005","90.208","0.005","102.716","0.005","2573.8","0.3","155.46","0.1","155.46","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C57 H46 B Cl2 Cu F4 N4 O P2 -","- C57 H46 B Cl2 Cu F4 N4 O P2 -","- C114 H92 B2 Cl4 Cu2 F8 N8 O2 P4 -","2","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10022","10029","10.1039/c5dt01108f","","","1.54178","CuKα","","0.0866","0.0757","","","0.2134","0.2241","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034963","12.527","0.004","20.392","0.006","22.743","0.007","90","","101.445","0.005","90","","5694","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H51 B Cu F4 N5 O P2 -","- C68 H46 B Cu F4 N5 O P2 -","- C272 H184 B4 Cu4 F16 N20 O4 P8 -","4","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Photo- and electro-luminescence of four cuprous complexes with sterically demanding and hole transmitting diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10022","10029","10.1039/c5dt01108f","","","0.71073","MoKα","","0.0943","0.0852","","","0.2383","0.247","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034964","7.402","0.005","21.994","0.005","19.692","0.005","90","0.005","100.11","0.005","90","0.005","3156","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br7 Cu N4 O2 -","- C26 H16 Br7 Cu N4 O2 -","- C104 H64 Br28 Cu4 N16 O8 -","4","1","","Wang, Lianke; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Crystal structures of benzoxazolyl-copper(iii,ii,i) complexes and investigation of Cu(ii)-mediated aryl carbon-hydrogen bromination.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9921","9926","10.1039/c5dt01090j","","","0.71069","MoKα","","0.0789","0.0476","","","0.1388","0.1558","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034965","4.043","0.005","14.545","0.005","12.082","0.005","90","0.005","95.877","0.005","90","0.005","706.8","1","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C13 H8 Br3 Cu N2 O -","- C13 H8 Br3 Cu N2 O -","- C26 H16 Br6 Cu2 N4 O2 -","2","1","","Wang, Lianke; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Crystal structures of benzoxazolyl-copper(iii,ii,i) complexes and investigation of Cu(ii)-mediated aryl carbon-hydrogen bromination.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9921","9926","10.1039/c5dt01090j","","","0.71069","MoKα","","0.0263","0.0232","","","0.0481","0.049","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034966","7.974","0.005","9.06","0.005","9.663","0.005","81.395","0.005","73.778","0.005","83.536","0.005","660.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br4 Cu N4 O2 -","- C26 H18 Br4 Cu N4 O2 -","- C26 H18 Br4 Cu N4 O2 -","1","0.5","","Wang, Lianke; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Crystal structures of benzoxazolyl-copper(iii,ii,i) complexes and investigation of Cu(ii)-mediated aryl carbon-hydrogen bromination.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9921","9926","10.1039/c5dt01090j","","","0.71069","MoKα","","0.1036","0.0618","","","0.1599","0.185","","","","","","1.034","","","","has coordinates","138688","2020-10-21","18:00:00",""
"7034967","11.54","0.004","7.298","0.002","24.778","0.008","90","","102.918","0.005","90","","2034","1.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O4 Sn -","- C20 H24 O4 Sn -","- C80 H96 O16 Sn4 -","4","1","","Shah, Farooq Ali; Sabir, Shaista; Fatima, Kaneez; Ali, Saqib; Qadri, Ishtiaq; Rizzoli, Corrado","Organotin(iv) based anti-HCV drugs: synthesis, characterization and biochemical activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10467","10478","10.1039/c5dt00862j","","","0.71073","MoKα","","0.0312","0.0267","","","0.0678","0.071","","","","","","1.097","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7034968","9.566","0.003","11.892","0.005","13.438","0.005","104.257","0.006","99.468","0.006","109.702","0.008","1342.6","0.9","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 O4 Sn -","- C26 H36 O4 Sn -","- C52 H72 O8 Sn2 -","2","1","","Shah, Farooq Ali; Sabir, Shaista; Fatima, Kaneez; Ali, Saqib; Qadri, Ishtiaq; Rizzoli, Corrado","Organotin(iv) based anti-HCV drugs: synthesis, characterization and biochemical activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10467","10478","10.1039/c5dt00862j","","","0.71073","MoKα","","0.0618","0.0423","","","0.1058","0.1126","","","","","","0.97","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7034969","12.041","0.003","11.466","0.003","20.435","0.005","90","","99.367","0.004","90","","2783.7","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 O4 Sn2 -","- C24 H36 O4 Sn2 -","- C96 H144 O16 Sn8 -","4","1","","Shah, Farooq Ali; Sabir, Shaista; Fatima, Kaneez; Ali, Saqib; Qadri, Ishtiaq; Rizzoli, Corrado","Organotin(iv) based anti-HCV drugs: synthesis, characterization and biochemical activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10467","10478","10.1039/c5dt00862j","","","0.71073","MoKα","","0.0876","0.0335","","","0.0666","0.0817","","","","","","0.938","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7034970","7.6944","0.0005","17.4966","0.001","13.1409","0.0008","90","","102.615","0.002","90","","1726.4","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.15 H19.6 Cl Cu N6 O0.15 S -","- C13.15 H19.6 Cl Cu N6 O0.15 S -","- C52.6 H78.4 Cl4 Cu4 N24 O0.6 S4 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.","Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9071","9090","10.1039/c5dt01076d","","","0.71073","MoKα","","0.0428","0.0334","","","0.0723","0.0753","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034971","8.0848","0.0004","12.1277","0.0006","12.3563","0.0005","63.8664","0.0017","83.4075","0.0018","73.0771","0.0017","1040.45","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H21 Cl Cu N6 O3 S -","- C17 H21 Cl Cu N6 O3 S -","- C34 H42 Cl2 Cu2 N12 O6 S2 -","2","1","","Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.","Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9071","9090","10.1039/c5dt01076d","","","0.71073","MoKα","","0.0502","0.0326","","","0.0695","0.0745","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034972","7.6629","0.0003","11.7864","0.0003","13.0949","0.0004","72.1141","0.0011","73.6132","0.0012","74.3107","0.0011","1057.72","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H28 Cl2 Cu N6 O2 S -","- C15 H28 Cl2 Cu N6 O2 S -","- C30 H56 Cl4 Cu2 N12 O4 S2 -","2","1","","Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.","Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9071","9090","10.1039/c5dt01076d","","","0.71073","MoKα","","0.0367","0.0303","","","0.0802","0.0832","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034973","9.8676","0.0007","12.0982","0.0008","16.606","0.001","86.45","0.003","74.015","0.003","77.176","0.003","1858.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.93 H23.7 Cl Cu N5 O1.92 S -","- C14.925 H23.7 Cl Cu N5 O1.925 S -","- C59.7 H94.8 Cl4 Cu4 N20 O7.7 S4 -","4","2","","Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.","Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9071","9090","10.1039/c5dt01076d","","","0.71073","MoKα","","0.0285","0.0279","","","0.068","0.0683","","","","","","1.095","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034974","7.7969","0.0006","17.4139","0.0014","13.145","0.001","90","","103.7","0.002","90","","1734","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl2 Cu2 N10 O3 S2 -","- C28 H42 Cl2 Cu2 N10 O3 S2 -","- C56 H84 Cl4 Cu4 N20 O6 S4 -","2","0.5","","Bacher, Felix; Dömötör, Orsolya; Chugunova, Anastasia; Nagy, Nóra V; Filipović, Lana; Radulović, Siniša; Enyedy, Éva A; Arion, Vladimir B.","Strong effect of copper(ii) coordination on antiproliferative activity of thiosemicarbazone-piperazine and thiosemicarbazone-morpholine hybrids.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9071","9090","10.1039/c5dt01076d","","","0.71073","MoKα","","0.0551","0.0424","","","0.0902","0.095","","","","","","1.011","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034975","12.2658","0.0016","20.425","0.003","9.6121","0.0016","90","","90","","90","","2408.1","0.6","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H6 F2 N2 O4 Zn -","- C12 H6 F2 N2 O4 Zn -","- C96 H48 F16 N16 O32 Zn8 -","8","0.5","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.0278","0.0265","","","0.0618","0.0623","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034976","14.8972","0.0005","16.853","0.0004","14.5964","0.0005","90","","119.614","0.005","90","","3185.9","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl4 N4 O15 Zn2 -","- C24 H14 Cl4 N4 O9 Zn2 -","- C96 H56 Cl16 N16 O36 Zn8 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","1.54178","CuKα","","0.0468","0.0417","","","0.1197","0.1246","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034977","7.7158","0.0008","7.7397","0.0008","25.946","0.003","90","","98.273","0.002","90","","1533.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H9 Cl2 N2 O5.5 Zn -","- C12 H9 Cl2 N2 O5.5 Zn -","- C48 H36 Cl8 N8 O22 Zn4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.0554","0.0413","","","0.1047","0.1112","","","","","","1.069","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034978","12.084","0.0017","9.8218","0.0014","11.9104","0.0016","90","","94.035","0.003","90","","1410.1","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Cl4 N4 O9 Zn2 -","- C24 H14 Cl4 N4 O9 Zn2 -","- C48 H28 Cl8 N8 O18 Zn4 -","2","0.25","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.0413","0.0326","","","0.078","0.0826","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034979","14.91","0.003","17.044","0.003","14.696","0.003","90","","120.49","0.02","90","","3218.2","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H24 Br4 N4 O11.5 Zn2 -","- C24 H14 Br4 N4 O9 Zn2 -","- C96 H56 Br16 N16 O36 Zn8 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.0385","0.0305","","","0.0691","0.0717","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034980","15.3861","0.0015","6.8845","0.0007","29.387","0.003","90","","90.112","0.002","90","","3112.8","0.5","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H22 Br4 N4 O12 Zn -","- C24 H22 Br4 N4 O12 Zn -","- C96 H88 Br16 N16 O48 Zn4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.1012","0.0431","","","0.091","0.1086","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034981","7.782","0.005","7.787","0.005","26.565","0.017","90","","96.944","0.013","90","","1598","1.8","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H8.3 Br2 N2 O5.15 Zn -","- C12 H7.6 Br2 N2 O5.15 Zn -","- C48 H30.4 Br8 N8 O20.6 Zn4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao","Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11109","11118","10.1039/c5dt00420a","","","0.71073","MoKα","","0.1467","0.1101","","","0.2363","0.2508","","","","","","1.095","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7034982","15.8048","0.0005","18.8955","0.0005","7.3079","0.0002","90","","90","","90","","2182.43","0.11","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H16 Mo N O4 P -","- C26 H16 Mo N O4 P -","- C104 H64 Mo4 N4 O16 P4 -","4","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0439","0.0444","","","","","","1.069","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034983","15.7856","0.0004","18.8326","0.0005","7.2886","0.0002","90","","90","","90","","2166.78","0.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H16 N O4 P W -","- C26 H16 N O4 P W -","- C104 H64 N4 O16 P4 W4 -","4","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0114","0.0108","","","0.0275","0.0278","","","","","","1.06","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034984","9.5048","0.0002","10.493","0.0003","12.1845","0.0003","100.514","0.001","107.177","0.001","104.629","0.001","1079.06","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cr N2 O4 -","- C26 H16 Cr N2 O4 -","- C52 H32 Cr2 N4 O8 -","2","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0256","0.0247","","","0.066","0.0664","","","","","","1.065","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034985","9.6294","0.0004","10.4368","0.0004","12.2967","0.0004","100.38","0.002","107.819","0.002","103.596","0.002","1100.3","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Mo N2 O4 -","- C26 H16 Mo N2 O4 -","- C52 H32 Mo2 N4 O8 -","2","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0182","0.0177","","","0.0462","0.0464","","","","","","1.102","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034986","8.0777","0.0002","15.6562","0.0004","18.117","0.0004","90","","110.058","0.001","90","","2152.22","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O4 W -","- C26 H16 N2 O4 W -","- C104 H64 N8 O16 W4 -","4","1","","de Krom, Iris; Lutz, Martin; Müller, Christian","2-(2'-Pyridyl)-4,6-diphenylphosphinine versus 2-(2'-pyridyl)-4,6-diphenylpyridine: synthesis and characterization of novel Cr(0), Mo(0) and W(0) carbonyl complexes containing chelating P,N and N,N ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10304","10314","10.1039/c5dt01261a","","","0.71073","MoKα","","0.0129","0.0114","","","0.0265","0.0268","","","","","","1.041","","","","has coordinates","138604","2020-10-21","18:00:00",""
"7034987","6.6352","0.0008","13.0006","0.0016","15.6451","0.0019","90","","90","","90","","1349.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl6 N O2 W -","- C5 H9 Cl6 N O2 W -","- C20 H36 Cl24 N4 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Murrali, Maria Grazia; Pampaloni, Guido; Zacchini, Stefano","The chlorinating behaviour of WCl6 towards α-aminoacids.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8729","8738","10.1039/c5dt00518c","","","0.71073","MoKα","","0.0248","0.0235","","","0.046","0.0463","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034988","11.0913","0.0014","9.9771","0.0013","11.5383","0.0015","90","","105.23","0.002","90","","1232","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl6 N O2 W -","- C3 H7 Cl6 N O2 W -","- C12 H28 Cl24 N4 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Murrali, Maria Grazia; Pampaloni, Guido; Zacchini, Stefano","The chlorinating behaviour of WCl6 towards α-aminoacids.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8729","8738","10.1039/c5dt00518c","","","0.71073","MoKα","","0.0347","0.0276","","","0.0609","0.0635","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034989","10.0448","0.0011","15.2279","0.0016","15.6122","0.0012","90","","125.869","0.004","90","","1935.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe-pic-Pd(CN)4-LS","","","- C16 H16 Fe N8 Pd -","- C16 H16 Fe N8 Pd -","- C64 H64 Fe4 N32 Pd4 -","4","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0512","0.0438","","","0.1183","0.1259","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034990","10.2201","0.0011","15.6565","0.0016","15.9375","0.0012","90","","126.5","0.004","90","","2050","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe-pic-Pd(CN)4-HS","","","- C16 H16 Fe N8 Pd -","- C16 H16 Fe N8 Pd -","- C64 H64 Fe4 N32 Pd4 -","4","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0388","0.029","","","0.0737","0.0808","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034991","7.8428","0.0006","15.2262","0.0012","8.4043","0.0007","90","","103.367","0.001","90","","976.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Fe-pic-Pt(CN)4-LS","","","- C16 H16 Fe N8 Pt -","- C16 H16 Fe N8 Pt -","- C32 H32 Fe2 N16 Pt2 -","2","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0299","0.0264","","","0.0769","0.0952","","","","","","1.226","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034992","10.2838","0.0011","15.6772","0.0016","16.0125","0.0012","90","","126.47","0.004","90","","2076","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe-pic-Pt(CN)4-HS","","","- C16 H16 Fe N8 Pt -","- C16 H16 Fe N8 Pt -","- C64 H64 Fe4 N32 Pt4 -","4","1","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0339","0.0247","","","0.0757","0.0817","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034993","14.255","0.003","10.247","0.002","14.539","0.004","90","","99.489","0.004","90","","2094.7","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe-pypz-Pd(CN)4-LS","","","- C20 H14 Fe N10 Pd -","- C20 H14 Fe N10 Pd -","- C80 H56 Fe4 N40 Pd4 -","4","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0382","0.0308","","","0.0721","0.0756","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034994","14.377","0.003","10.47","0.002","15.253","0.004","90","","102.588","0.004","90","","2240.8","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe-pypz-Pd(CN)4","","","- C20 H14 Fe N10 Pd -","- C20 H14 Fe N10 Pd -","- C80 H56 Fe4 N40 Pd4 -","4","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0482","0.0322","","","0.066","0.0718","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034995","14.269","0.003","10.366","0.002","14.532","0.004","90","","99.222","0.004","90","","2121.7","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe-pypz-Pt(CN)4-LS","","","- C20 H14 Fe N10 Pt -","- C20 H14 Fe N10 Pt -","- C80 H56 Fe4 N40 Pt4 -","4","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0447","0.0286","","","0.0635","0.0696","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034996","14.304","0.003","10.523","0.002","15.157","0.004","90","","102.323","0.004","90","","2228.9","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe-pypz-Pt(CN)4-HS","","","- C20 H14 Fe N10 Pt -","- C20 H14 Fe N10 Pt -","- C80 H56 Fe4 N40 Pt4 -","4","0.5","","Zhang, Shao-Liang; Zhao, Xin-Hua; Wang, Yuan-Min; Shao, Dong; Wang, Xin-Yi","Spin crossover behaviour in one-dimensional Fe(II) compounds based on the [M(CN)4](2-) (M = Pd, Pt) units.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9682","9690","10.1039/c5dt00836k","","","0.71073","MoKα","","0.0252","0.0174","","","0.0379","0.0408","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034997","14.0035","0.0004","19.2561","0.0007","24.5571","0.0006","90","","122.73","0.002","90","","5570.5","0.3","406","2","406","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C118 H186 Nd2 O14 -","- C118 H186 Nd2 O14 -","- C236 H372 Nd4 O28 -","2","0.5","","Zhang, Min; Liang, Zhenhua; Ling, Jun; Ni, Xufeng; Shen, Zhiquan","Carbon bridged triphenolate lanthanide complexes: synthesis, characterization, DFT studies and catalytic activities for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11182","11190","10.1039/c5dt01241d","","","0.71073","MoKα","","0.0479","0.0339","","","0.0738","0.0826","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034998","50.4714","0.0011","17.9307","0.0005","29.1703","0.0006","90","","112.425","0.003","90","","24402.5","1.1","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H146 Gd2 O9 -","- C98 H146 Gd2 O9 -","- C784 H1168 Gd16 O72 -","8","1","","Zhang, Min; Liang, Zhenhua; Ling, Jun; Ni, Xufeng; Shen, Zhiquan","Carbon bridged triphenolate lanthanide complexes: synthesis, characterization, DFT studies and catalytic activities for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11182","11190","10.1039/c5dt01241d","","","0.71073","MoKα","","0.0646","0.0505","","","0.1492","0.1582","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7034999","14.4829","0.0004","18.0577","0.0005","21.7071","0.0007","90","","89.676","0.003","90","","5676.9","0.3","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94 H138 Lu2 O8 -","- C94 H138 Lu2 O8 -","- C188 H276 Lu4 O16 -","2","0.5","","Zhang, Min; Liang, Zhenhua; Ling, Jun; Ni, Xufeng; Shen, Zhiquan","Carbon bridged triphenolate lanthanide complexes: synthesis, characterization, DFT studies and catalytic activities for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11182","11190","10.1039/c5dt01241d","","","0.71073","MoKα","","0.0625","0.0434","","","0.1158","0.1268","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035000","14.2943","0.0005","18.2621","0.0004","21.6621","0.0005","90","","93.795","0.003","90","","5642.4","0.3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C118 H186 Na6 O14 -","- C118 H186 Na6 O14 -","- C236 H372 Na12 O28 -","2","0.5","","Zhang, Min; Liang, Zhenhua; Ling, Jun; Ni, Xufeng; Shen, Zhiquan","Carbon bridged triphenolate lanthanide complexes: synthesis, characterization, DFT studies and catalytic activities for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11182","11190","10.1039/c5dt01241d","","","0.71073","MoKα","","0.0784","0.0542","","","0.1351","0.1519","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035001","11.636","0.002","13.08","0.003","13.39","0.003","100.04","0.03","100.45","0.03","90.01","0.03","1972.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H16 Dy F18 N2 O6 -","- C31 H16 Dy F18 N2 O6 -","- C62 H32 Dy2 F36 N4 O12 -","2","1","","Tong, Yu-Zhang; Gao, Chen; Wang, Qing-Lun; Wang, Bing-Wu; Gao, Song; Cheng, Peng; Liao, Dai-Zheng","Two mononuclear single molecule magnets derived from dysprosium(iii) and tmphen (tmphen = 3,4,7,8-tetramethyl-1,10-phenanthroline).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9020","9026","10.1039/c5dt00869g","","","0.71073","MoKα","","0.0398","0.0376","","","0.1026","0.1041","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035002","10.6421","0.0009","11.4005","0.0008","14.6562","0.0008","83.765","0.005","72.402","0.006","67.841","0.007","1569.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 Dy N2 O8 -","- C31 H41 Dy N2 O8 -","- C62 H82 Dy2 N4 O16 -","2","1","","Tong, Yu-Zhang; Gao, Chen; Wang, Qing-Lun; Wang, Bing-Wu; Gao, Song; Cheng, Peng; Liao, Dai-Zheng","Two mononuclear single molecule magnets derived from dysprosium(iii) and tmphen (tmphen = 3,4,7,8-tetramethyl-1,10-phenanthroline).","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9020","9026","10.1039/c5dt00869g","","","0.71073","MoKα","","0.0258","0.0239","","","0.0528","0.0541","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035003","12.3327","0.0002","14.0747","0.0003","12.6772","0.0002","90","","91.259","0.001","90","","2199.97","0.07","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Gd2 N8 O14 -","- C38 H46 Gd2 N8 O14 -","- C76 H92 Gd4 N16 O28 -","2","0.5","","Anastasiadis, Nikolaos C.; Kalofolias, Dimitris A.; Philippidis, Aggelos; Tzani, Sofia; Raptopoulou, Catherine P.; Psycharis, Vassilis; Milios, Constantinos J.; Escuer, Albert; Perlepes, Spyros P.","A family of dinuclear lanthanide(iii) complexes from the use of a tridentate Schiff base.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10200","10209","10.1039/c5dt01218j","","","1.54178","CuKα","","0.039","0.0355","","","0.0892","0.0915","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035004","12.3132","0.0002","14.0547","0.0002","12.6042","0.0002","90","","91.412","0.001","90","","2180.6","0.06","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Dy2 N8 O14 -","- C38 H46 Dy2 N8 O14 -","- C76 H92 Dy4 N16 O28 -","2","0.5","","Anastasiadis, Nikolaos C.; Kalofolias, Dimitris A.; Philippidis, Aggelos; Tzani, Sofia; Raptopoulou, Catherine P.; Psycharis, Vassilis; Milios, Constantinos J.; Escuer, Albert; Perlepes, Spyros P.","A family of dinuclear lanthanide(iii) complexes from the use of a tridentate Schiff base.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10200","10209","10.1039/c5dt01218j","","","1.54178","CuKα","","0.0375","0.0364","","","0.0973","0.0988","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035005","11.6715","0.0002","13.6877","0.0002","20.5488","0.0004","90","","90","","90","","3282.79","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl2 N3 Pd -","- C38 H35 Cl2 N3 Pd -","- C152 H140 Cl8 N12 Pd4 -","4","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9260","9268","10.1039/c5dt00980d","","","0.71073","MoKα","","0.0592","0.0378","","","0.0598","0.0631","","","","","","0.869","","","","has coordinates","138722","2020-10-21","18:00:00",""
"7035006","11.6469","0.0002","13.7077","0.0002","20.4229","0.0003","90","","90","","90","","3260.56","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Cl2 N3 Pd -","- C38 H33 Cl2 N3 Pd -","- C152 H132 Cl8 N12 Pd4 -","4","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9260","9268","10.1039/c5dt00980d","","","0.71073","MoKα","","0.0289","0.0244","","","0.0517","0.0526","","","","","","0.969","","","","has coordinates","138722","2020-10-21","18:00:00",""
"7035007","10.217","0.0007","13.539","0.001","20.073","0.002","78.341","0.009","78.226","0.008","85.982","0.006","2660.9","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Ag Cl N2 -","- C33 H28 Ag Cl N2 -","- C132 H112 Ag4 Cl4 N8 -","4","2","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9260","9268","10.1039/c5dt00980d","","","0.71073","MoKα","","0.1315","0.0645","","","0.0941","0.1176","","","","","","1.019","","","","has coordinates","138722","2020-10-21","18:00:00",""
"7035008","10.573","0.003","18.382","0.005","18.979","0.005","90","","99.449","0.001","90","","3638.6","1.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cu F6 N2 P3 -","- C38 H36 Cu F6 N2 P3 -","- C152 H144 Cu4 F24 N8 P12 -","4","1","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0832","0.0744","","","","0.1816","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035009","20.0258","0.0009","20.3253","0.0009","23.228","0.0011","90","","90","","90","","9454.5","0.7","123","2","123","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C41 H22 Cu F26 N2 O P3 -","- C41 H22 Cu F26 N2 O P3 -","- C328 H176 Cu8 F208 N16 O8 P24 -","8","1","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0827","0.0777","","","","0.1461","","","","","","1.352","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035010","11.7046","0.0019","11.9986","0.0018","15.584","0.002","91.946","0.007","96.639","0.007","101.608","0.007","2125.8","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H16 Cu F26 N2 P3 -","- C38 H16 Cu F26 N2 P3 -","- C76 H32 Cu2 F52 N4 P6 -","2","1","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0976","0.074","","","","0.2108","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035011","13.29","0.005","19.92","0.006","20.107","0.005","90","","122.495","0.016","90","","4490","3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cu F26 N2 O3 P3 -","- C41 H22 Cu F26 N2 O3 P3 -","- C164 H88 Cu4 F104 N8 O12 P12 -","4","1","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0616","0.0541","","","","0.1111","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035012","11.5047","0.001","33.521","0.003","23.333","0.002","90","","98.828","0.001","90","","8891.8","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H23 Cu F26 N2 P3 -","- C41 H23 Cu F26 N2 P3 -","- C328 H184 Cu8 F208 N16 P24 -","8","2","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0982","0.0828","","","","0.1599","","","","","","1.198","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035013","12.3057","0.0004","12.3057","0.0004","20.5539","0.0007","90","","90","","90","","3112.48","0.18","294","2","294","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C16 H24 Cl2 N8 O8 S4 Zn -","- C16 H24 Cl2 N8 O8 S4 Zn -","- C64 H96 Cl8 N32 O32 S16 Zn4 -","4","0.25","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Bettoschi, Alexandre; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Lippolis, Vito; Pivetta, Tiziana; Valletta, Elisa","Zinc(ii)-methimazole complexes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9805","9814","10.1039/c5dt00917k","","","0.71073","MoKα","","0.0434","0.0341","","","0.1022","0.109","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035014","8.9185","0.0011","9.1511","0.0011","11.8137","0.0015","88.66","0.02","86.89","0.02","71.16","0.02","911.1","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 I2 N4 S2 Zn -","- C10 H16 I2 N4 S2 Zn -","- C20 H32 I4 N8 S4 Zn2 -","2","1","","Isaia, Francesco; Aragoni, Maria Carla; Arca, Massimiliano; Bettoschi, Alexandre; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Lippolis, Vito; Pivetta, Tiziana; Valletta, Elisa","Zinc(ii)-methimazole complexes: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9805","9814","10.1039/c5dt00917k","","","0.71073","MoKα","","0.0324","0.0245","","","0.0669","0.0702","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035015","8.889","0.005","7.407","0.005","30.467","0.005","90","","90","","90","","2006","1.8","293","2","293","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C18 H14 Mn N4 O9 -","- C18 H14 Mn N4 O9 -","- C72 H56 Mn4 N16 O36 -","4","1","","Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh","Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9795","9804","10.1039/c5dt00709g","","","0.71073","MoKα","","0.0794","0.069","","","0.1892","0.1976","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035016","22.618","0.005","27.352","0.005","30.83","0.005","90","","90","","90","","19073","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80.98 H62.08 Mn6 N11.15 O46.17 -","- C81.065 H62.105 Mn6 N11.21 O46.145 -","- C648.52 H496.84 Mn48 N89.68 O369.16 -","8","1","","Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh","Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9795","9804","10.1039/c5dt00709g","","","0.71073","MoKα","","0.1096","0.0574","","","0.1282","0.1555","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035017","13.408","0.005","27.548","0.005","24.733","0.005","90","","99.406","0.005","90","","9013","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78.45 H52.23 Mn6 N14.23 O42 -","- C78.454 H52.227 Mn6 N14.227 O42 -","- C313.816 H208.908 Mn24 N56.908 O168 -","4","1","","Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh","Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9795","9804","10.1039/c5dt00709g","","","0.71073","MoKα","","0.0661","0.0442","","","0.1049","0.1178","","","","","","0.979","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035018","15.1755","0.0011","22.2665","0.0017","8.1466","0.0006","90","","110.282","0.001","90","","2582.1","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 N4 O4 Zn -","- C30 H22 N4 O4 Zn -","- C120 H88 N16 O16 Zn4 -","4","1","","Shi, Gui-Mei; Zhang, Bin; Xu, Xin-Xin; Fu, Yan-Hong","Graphene oxide coated coordination polymer nanobelt composite material: a new type of visible light active and highly efficient photocatalyst for Cr(vi) reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11155","11164","10.1039/c5dt01190f","","","0.71073","MoKα","","0.0694","0.0511","","","0.1101","0.122","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035019","13.632","0.001","17.918","0.001","12.647","0.001","90","","99.475","0.007","90","","3047","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 N3 Ni O2 -","- C31 H45 N3 Ni O2 -","- C124 H180 N12 Ni4 O8 -","4","1","","Nemec, Ivan; Herchel, Radovan; Svoboda, Ingrid; Boča, Roman; Trávníček, Zdeněk","Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9551","9560","10.1039/c5dt00600g","","","0.71073","MoKα","","0.0946","0.0453","","","0.0988","0.1132","","","","","","0.968","","","","has coordinates,has disorder","138673","2020-10-21","18:00:00",""
"7035020","10.1636","0.0007","26.5733","0.0013","8.5995","0.0007","90","","113.486","0.009","90","","2130.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br2 N3 Ni O2 -","- C21 H23 Br2 N3 Ni O2 -","- C84 H92 Br8 N12 Ni4 O8 -","4","1","","Nemec, Ivan; Herchel, Radovan; Svoboda, Ingrid; Boča, Roman; Trávníček, Zdeněk","Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9551","9560","10.1039/c5dt00600g","","","0.71073","MoKα","","0.0464","0.0283","","","0.0553","0.0577","","","","","","0.906","","","","has coordinates,has disorder","138673","2020-10-21","18:00:00",""
"7035021","10.3149","0.0006","27.6223","0.0012","8.446","0.0005","90","","113.807","0.007","90","","2201.7","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 I2 N3 Ni O2 -","- C21 H23 I2 N3 Ni O2 -","- C84 H92 I8 N12 Ni4 O8 -","4","1","","Nemec, Ivan; Herchel, Radovan; Svoboda, Ingrid; Boča, Roman; Trávníček, Zdeněk","Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9551","9560","10.1039/c5dt00600g","","","0.71073","MoKα","","0.0362","0.0279","","","0.0615","0.0634","","","","","","1.007","","","","has coordinates,has disorder","138673","2020-10-21","18:00:00",""
"7035022","6.949","0.0008","14.037","0.002","20.113","0.005","90","","92.008","0.013","90","","1960.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 Ni O2 -","- C21 H25 N3 Ni O2 -","- C84 H100 N12 Ni4 O8 -","4","1","","Nemec, Ivan; Herchel, Radovan; Svoboda, Ingrid; Boča, Roman; Trávníček, Zdeněk","Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9551","9560","10.1039/c5dt00600g","","","0.71073","MoKα","","0.1075","0.0552","","","0.1235","0.1378","","","","","","0.88","","","","has coordinates,has disorder","138673","2020-10-21","18:00:00",""
"7035023","14.3048","0.0002","20.0807","0.0002","34.0794","0.0004","102.599","0.0005","96.6992","0.0005","93.5217","0.0006","9450.2","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 Cl6 Mn5 N7 O70 Si2 W18 -","- C118 Cl6 Mn5 N7 O70 Si2 W18 -","- C236 Cl12 Mn10 N14 O140 Si4 W36 -","2","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.1358","0.0787","","","0.1495","0.179","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035024","14.2994","0.0001","20.0839","0.0002","34.153","0.0005","102.454","0.0009","96.6522","0.0009","93.5185","0.0004","9475.28","0.18","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Fe Mn4 N7 O70 Si2 W18 -","- C120 Cl8 Fe Mn4 N7 O70 Si2 W18 -","- C240 Cl16 Fe2 Mn8 N14 O140 Si4 W36 -","2","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0789","0.0561","","","0.1302","0.1455","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035025","14.3467","0.0001","20.2068","0.0001","34.2447","0.0003","103.63","0.0005","97.2188","0.0004","92.9884","0.0006","9537.06","0.12","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Co Mn4 N7 O70 Si2 W18 -","- C120 Cl8 Co Mn4 N7 O70 Si2 W18 -","- C240 Cl16 Co2 Mn8 N14 O140 Si4 W36 -","2","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.057","0.0464","","","0.1099","0.1152","","","","","","1.015","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7035026","14.3428","0.0001","20.1737","0.0001","34.2468","0.0003","103.464","0.0004","97.1819","0.0004","93.1231","0.0005","9525.34","0.12","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Mn4 N7 Ni O70 Si2 W18 -","- C120 Cl8 Mn4 N7 Ni O70 Si2 W18 -","- C240 Cl16 Mn8 N14 Ni2 O140 Si4 W36 -","2","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0609","0.0507","","","0.1293","0.1378","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035027","14.3601","0.0001","20.2319","0.0002","34.27","0.0003","103.541","0.0006","97.3195","0.0004","92.9779","0.0004","9566.28","0.15","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Cu Mn4 N7 O70 Si2 W18 -","- C120 Cl8 Cu Mn4 N7 O70 Si2 W18 -","- C240 Cl16 Cu2 Mn8 N14 O140 Si4 W36 -","2","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0743","0.0585","","","0.1735","0.2015","","","","","","1.101","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7035028","28.5709","0.0001","22.3114","0.0001","29.6879","0.0002","90","","104.998","0.001","90","","18280.1","0.18","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 Ga Mn4 N11 O78 Si2 W18 -","- C116 Ga Mn4 N11 O78 Si2 W18 -","- C464 Ga4 Mn16 N44 O312 Si8 W72 -","4","1","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0566","0.0451","","","0.1137","0.1231","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035029","14.6551","0.0001","18.7075","0.0002","19.0611","0.0002","106.87","0.001","92.204","0.001","98.176","0.001","4932.51","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 N7 Ni O70 Si2 W18 -","- C124 Cl12 N7 Ni O70 Si2 W18 -","- C124 Cl12 N7 Ni O70 Si2 W18 -","1","0.5","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0752","0.0687","","","0.1588","0.1641","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035030","14.6256","0.0001","18.7678","0.0002","19.123","0.0002","107.21","0.0005","92.3267","0.0005","98.2091","0.0006","4943.6","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 Cu N7 O70 Si2 W18 -","- C124 Cl12 Cu N7 O70 Si2 W18 -","- C124 Cl12 Cu N7 O70 Si2 W18 -","1","0.5","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.0636","0.0624","","","0.1398","0.1406","","","","","","1.107","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035031","14.6663","0.0002","18.6722","0.0003","19.0211","0.0003","106.606","0.0006","92.4161","0.0008","97.9292","0.001","4925.69","0.13","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 Ga N7 O70 Si2 W18 -","- C124 Cl12 Ga N7 O70 Si2 W18 -","- C124 Cl12 Ga N7 O70 Si2 W18 -","1","0.5","","Suzuki, Kosuke; Sato, Rinta; Minato, Takuo; Shinoe, Masahiro; Yamaguchi, Kazuya; Mizuno, Noritaka","A cascade approach to hetero-pentanuclear manganese-oxide clusters in polyoxometalates and their single-molecule magnet properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14220","14226","10.1039/c5dt01363a","","","0.71069","MoKα","","0.1056","0.0794","","","0.1906","0.2125","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035032","10.613","0.004","12.785","0.005","23.303","0.009","102.43","0.005","97.226","0.005","106.143","0.005","2907.4","1.9","100","0.2","100","0.2","","","","","","","","7","P 1","P 1","1","[Ru(terpy)(L3)(CH3CN)](PF6)2","[Ru(terpy)(L3)(CH3CN)](PF6)2","","- C56 H68 F12 N6 O2 P2 Ru -","- C56 H68 F12 N6 O2 P2 Ru -","- C112 H136 F24 N12 O4 P4 Ru2 -","2","2","","Koshiyama, Tomomi; Kanda, Nao; Iwata, Koki; Honjo, Masayuki; Asada, Sana; Hatae, Tatsuru; Tsuji, Yasuhiro; Yoshida, Masaki; Okamura, Masaya; Kuga, Reiko; Masaoka, Shigeyuki; Ohba, Masaaki","Regulation of a cerium(iv)-driven O2 evolution reaction using composites of liposome and lipophilic ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15126","15129","10.1039/c5dt00793c","","","0.71073","MoKα","","0.1011","0.0634","","","0.1414","0.1555","","","","","","0.991","","","","has coordinates,has disorder","161713","2020-10-21","18:00:00",""
"7035033","15.3586","0.0005","17.5065","0.0005","22.5506","0.0007","90","","104.083","0.0009","90","","5881.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H65 B N2 O3 P2 Ru -","- C70 H65 B N2 O3 P2 Ru -","- C280 H260 B4 N8 O12 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Dottorello, Gianluca","Preparation and reactivity of diazoalkane complexes of ruthenium stabilised by an indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9289","9303","10.1039/c5dt00755k","","","1.54178","CuKα","","0.0484","0.0452","","","0.1273","0.1314","","","","","","1.079","","","","has coordinates","138724","2020-10-21","18:00:00",""
"7035034","11.8068","0.0008","13.0733","0.0009","19.3806","0.0015","108.948","0.005","89.64","0.005","95.878","0.005","2813.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H63 B O3 P2 Ru -","- C65 H63 B O3 P2 Ru -","- C130 H126 B2 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Dottorello, Gianluca","Preparation and reactivity of diazoalkane complexes of ruthenium stabilised by an indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9289","9303","10.1039/c5dt00755k","","","1.54178","CuKα","","0.1719","0.1268","","","0.2831","0.3348","","","","","","1.07","","","","has coordinates","138724","2020-10-21","18:00:00",""
"7035035","11.0701","0.0019","17.55","0.003","20.754","0.003","72.786","0.009","76.549","0.009","71.73","0.009","3613.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H78 B O3 P3 Ru -","- C83 H78 B O3 P3 Ru -","- C166 H156 B2 O6 P6 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Dottorello, Gianluca","Preparation and reactivity of diazoalkane complexes of ruthenium stabilised by an indenyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9289","9303","10.1039/c5dt00755k","","","1.54178","CuKα","","0.1461","0.1075","","","0.1926","0.2173","","","","","","1.183","","","","has coordinates","138724","2020-10-21","18:00:00",""
"7035036","9.1171","0.0008","19.3834","0.0013","13.2464","0.0009","90","","90","","90","","2340.9","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H33 B11 -","- C20 H33 B11 -","- C80 H132 B44 -","4","1","","Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.","Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9766","9781","10.1039/c5dt00758e","","","1.54178","CuKα","","0.0376","0.0358","","","0.0927","0.0944","","","","","","1.052","","","","has coordinates","138691","2020-10-21","18:00:00",""
"7035037","9.6527","0.0005","13.7958","0.0007","20.2585","0.001","90","","90","","90","","2697.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B11 -","- C26 H37 B11 -","- C104 H148 B44 -","4","1","","Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.","Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9766","9781","10.1039/c5dt00758e","","","1.54178","CuKα","","0.031","0.0306","","","0.0818","0.0826","","","","","","1.055","","","","has coordinates","138691","2020-10-21","18:00:00",""
"7035038","9.0372","0.0002","12.005","0.0003","12.1284","0.0003","87.5459","0.0015","68.1978","0.0012","71.7827","0.0013","1156.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl3 Cr N6 O -","- C21 H22 Cl3 Cr N6 O -","- C42 H44 Cl6 Cr2 N12 O2 -","2","1","","Park, Jong-Eun; Kang, Sung Kwon; Woo, Jeong Oh; Son, Kyung-Sun","Highly active chromium(iii) complexes based on tridentate pyrazolyl pyridyl ligands for ethylene polymerization and oligomerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9964","9969","10.1039/c5dt00855g","","","0.71073","MoKα","","0.0899","0.0493","","","0.1187","0.1381","","","","","","1.045","","","","has coordinates","138692","2020-10-21","18:00:00",""
"7035039","11.417","0.0013","14.1673","0.0015","16.8852","0.0019","90","","98.684","0.002","90","","2699.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl3 Cr N8 O2 -","- C23 H28 Cl3 Cr N8 O2 -","- C92 H112 Cl12 Cr4 N32 O8 -","4","1","","Park, Jong-Eun; Kang, Sung Kwon; Woo, Jeong Oh; Son, Kyung-Sun","Highly active chromium(iii) complexes based on tridentate pyrazolyl pyridyl ligands for ethylene polymerization and oligomerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9964","9969","10.1039/c5dt00855g","","","0.71073","MoKα","","0.1238","0.0712","","","0.1725","0.2055","","","","","","1.049","","","","has coordinates","138692","2020-10-21","18:00:00",""
"7035040","14.6","0.0003","12.677","0.0003","13.274","0.0002","90","","108.396","0.002","90","","2331.26","0.09","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C47 H68 Al2 Cr2 N6 -","- C46 H68 Al2 Cr2 N6 -","- C92 H136 Al4 Cr4 N12 -","2","0.25","","Jeon, Jong Yeob; Park, Dong Sik; Lee, Dong Hwan; Eo, Seong Chan; Park, Seong Yeon; Jeong, Myoung Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","A chromium precursor for the Phillips ethylene trimerization catalyst: (2-ethylhexanoate)2CrOH.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11004","11012","10.1039/c5dt01203a","","","0.71073","MoKα","","0.0666","0.0428","","","0.0985","0.1083","","","","","","1.073","","","","has coordinates,has disorder","143620","2020-10-21","18:00:00",""
"7035041","9.035","0.0012","24.836","0.003","10.7929","0.0016","90","","92.235","0.009","90","","2420","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 Al2 Cl2 Cr2 N6 -","- C47.008 H66.52 Al2 Cl1.496 Cr2 N6 -","- C94.016 H133.04 Al4 Cl2.992 Cr4 N12 -","2","0.5","","Jeon, Jong Yeob; Park, Dong Sik; Lee, Dong Hwan; Eo, Seong Chan; Park, Seong Yeon; Jeong, Myoung Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","A chromium precursor for the Phillips ethylene trimerization catalyst: (2-ethylhexanoate)2CrOH.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11004","11012","10.1039/c5dt01203a","","","0.71073","MoKα","","0.2007","0.0629","","","0.0919","0.1149","","","","","","1.05","","","","has coordinates,has disorder","143620","2020-10-21","18:00:00",""
"7035042","11.6198","0.0002","29.9914","0.0007","12.3307","0.0003","90","","111.937","0.001","90","","3986.04","0.15","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Al3 Cl4 Cr4 N3 -","- C28 H51 Al3 Cl4 Cr4 N3 -","- C112 H204 Al12 Cl16 Cr16 N12 -","4","1","","Jeon, Jong Yeob; Park, Dong Sik; Lee, Dong Hwan; Eo, Seong Chan; Park, Seong Yeon; Jeong, Myoung Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","A chromium precursor for the Phillips ethylene trimerization catalyst: (2-ethylhexanoate)2CrOH.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11004","11012","10.1039/c5dt01203a","","","0.71073","MoKα","","0.13","0.0698","","","0.1538","0.18","","","","","","1.026","","","","has coordinates,has disorder","143620","2020-10-21","18:00:00",""
"7035043","8.252","0.006","9.073","0.006","16.414","0.011","88.681","0.009","80.237","0.009","70.809","0.008","1143.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cu Mo4 N4 O18 -","- C12 H16 Cu Mo4 N4 O18 -","- C24 H32 Cu2 Mo8 N8 O36 -","2","1","","Dui, Xue-Jing; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiaofei; Liao, Jian-Zhen; Yu, Rongmin; Lu, Can-Zhong","Two novel POM-based inorganic-organic hybrid compounds: synthesis, structures, magnetic properties, photodegradation and selective absorption of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9496","9505","10.1039/c5dt01042j","","","0.71073","MoKα","","0.0774","0.071","","","0.2451","0.2492","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035044","8.2951","0.0004","9.1416","0.0006","13.2695","0.0007","109.205","0.006","93.72","0.004","109.834","0.005","876.05","0.1","291","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cu Mo3 N4 O11 -","- C12 H8 Cu Mo3 N4 O11 -","- C24 H16 Cu2 Mo6 N8 O22 -","2","1","","Dui, Xue-Jing; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiaofei; Liao, Jian-Zhen; Yu, Rongmin; Lu, Can-Zhong","Two novel POM-based inorganic-organic hybrid compounds: synthesis, structures, magnetic properties, photodegradation and selective absorption of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9496","9505","10.1039/c5dt01042j","","","1.54178","CuKα","","0.0419","0.0315","","","0.0775","0.0849","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035045","14.219","0.007","11.945","0.006","10.835","0.006","90","","93.962","0.006","90","","1835.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C-1","","- C18 H23 Cl N2 O Pt -","- C18 H23 Cl N2 O Pt -","- C72 H92 Cl4 N8 O4 Pt4 -","4","1","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Wang, Wei-Kun; Wang, Hui; Li, Zhan-Ting; Lin, Yuejian; Zhang, Dan-Wei","Efficient one-pot synthesis of trans-Pt(ii)(salicylaldimine)(4-picoline)Cl complexes: effective agents for enhanced expression of p53 tumor suppressor genes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9872","9880","10.1039/c5dt01098e","","","0.71073","MoKα","","0.0674","0.0592","","","0.1491","0.1533","","","","","","1.041","","","","has coordinates","138693","2020-10-21","18:00:00",""
"7035046","13.766","0.002","12.267","0.002","11.094","0.002","90","","93.872","0.003","90","","1869.1","0.5","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C-2","","- C20 H19 Cl N2 O Pt -","- C20 H19 Cl N2 O Pt -","- C80 H76 Cl4 N8 O4 Pt4 -","4","1","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Wang, Wei-Kun; Wang, Hui; Li, Zhan-Ting; Lin, Yuejian; Zhang, Dan-Wei","Efficient one-pot synthesis of trans-Pt(ii)(salicylaldimine)(4-picoline)Cl complexes: effective agents for enhanced expression of p53 tumor suppressor genes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9872","9880","10.1039/c5dt01098e","","","0.71073","MoKα","","0.0523","0.0444","","","0.132","0.1385","","","","","","1.054","","","","has coordinates","138693","2020-10-21","18:00:00",""
"7035047","7.961","0.003","10.42","0.004","12.674","0.005","84.941","0.005","74.687","0.005","72.304","0.005","966","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","C-3","","- C20 H18 Cl F N2 O Pt -","- C20 H18 Cl F N2 O Pt -","- C40 H36 Cl2 F2 N4 O2 Pt2 -","2","1","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Wang, Wei-Kun; Wang, Hui; Li, Zhan-Ting; Lin, Yuejian; Zhang, Dan-Wei","Efficient one-pot synthesis of trans-Pt(ii)(salicylaldimine)(4-picoline)Cl complexes: effective agents for enhanced expression of p53 tumor suppressor genes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9872","9880","10.1039/c5dt01098e","","","0.71073","MoKα","","0.0655","0.058","","","0.1699","0.1736","","","","","","1.094","","","","has coordinates","138693","2020-10-21","18:00:00",""
"7035048","10.06798","0.00012","16.8748","0.0002","26.8615","0.0004","90","","90","","90","","4563.64","0.1","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 N2 O6 S2 W -","- C44 H60 N2 O6 S2 W -","- C176 H240 N8 O24 S8 W4 -","4","1","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","1.54184","CuKα","","0.0241","0.0232","","","0.0596","0.0602","","","","","","1.041","","","","has coordinates","138675","2020-10-21","18:00:00",""
"7035049","13.4235","0.0003","15.4757","0.0004","21.8073","0.0005","70.977","0.001","78.026","0.001","67.03","0.001","3926.41","0.17","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H50 N2 O2 S2 W -","- C36 H50 N2 O2 S2 W -","- C144 H200 N8 O8 S8 W4 -","4","2","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","0.71073","MoKα","","0.045","0.033","","","0.0727","0.0775","","","","","","1.022","","","","has coordinates,has disorder","138675","2020-10-21","18:00:00",""
"7035050","14.9889","0.0002","17.3185","0.0003","28.4713","0.0004","90","","90","","90","","7390.73","0.19","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C34 H53 Cl2 N O3 S2 W -","- C34 H53 Cl2 N O3 S2 W -","- C272 H424 Cl16 N8 O24 S16 W8 -","8","1","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","0.71073","MoKα","","0.0405","0.0273","","","0.0489","0.0527","","","","","","1.056","","","","has coordinates","138675","2020-10-21","18:00:00",""
"7035051","16.18664","0.00009","34.93266","0.00018","18.54984","0.0001","90","","113.685","0.0006","90","","9605.34","0.1","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H137 N7 O12 S4 W2 -","- C90 H137 N7 O12 S4 W2 -","- C360 H548 N28 O48 S16 W8 -","4","1","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","1.54184","CuKα","","0.0254","0.0233","","","0.0552","0.0563","","","","","","1.035","","","","has coordinates,has disorder","138675","2020-10-21","18:00:00",""
"7035052","18.1922","0.0003","15.1933","0.0002","25.7879","0.0004","90","","96.076","0.001","90","","7087.72","0.19","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 N2 O2 S2 W -","- C34 H54 N2 O2 S2 W -","- C272 H432 N16 O16 S16 W8 -","8","2","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","0.71073","MoKα","","0.0352","0.0271","","","0.056","0.0584","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035053","16.0522","0.0006","14.3181","0.0006","4.6148","0.0003","90","","90","","90","","1060.65","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H10 Br Cl -","- C13 H10 Br Cl -","- C52 H40 Br4 Cl4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","1.54178","CuKα","","0.0505","0.0363","","","0.0809","0.0867","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035054","8.0594","0.0003","28","0.001","8.3318","0.0003","90","","90.138","0.001","90","","1880.18","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cl -","- C11 H8 Br Cl -","- C88 H64 Br8 Cl8 -","8","2","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0288","0.025","","","0.0609","0.0627","","","","","","1.041","","","","has coordinates","138694","2020-10-21","18:00:00",""
"7035055","18.941","0.0007","17.6865","0.0006","5.6269","0.0002","90","","90","","90","","1885.01","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H22 Br O2 P -","- C22 H22 Br O2 P -","- C88 H88 Br4 O8 P4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0289","0.0262","","","0.0615","0.0629","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035056","10.217","0.003","6.9781","0.0019","10.816","0.003","90","","101.873","0.003","90","","754.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br P -","- C19 H16 Br P -","- C38 H32 Br2 P2 -","2","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0482","0.0391","","","0.0852","0.0888","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035057","12.5232","0.0004","15.3824","0.0005","20.9494","0.0006","90","","90","","90","","4035.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 F6 P4 Pt -","- C43 H48 F6 P4 Pt -","- C172 H192 F24 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0226","0.0198","","","0.0387","0.0394","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035058","27.795","0.003","6.3966","0.0007","17.4407","0.0017","90","","91","0.007","90","","3100.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","GWr99","","- C19 H18 B P -","- C19 H18 B P -","- C152 H144 B8 P8 -","8","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","x-ray","0.71073","MoKα","","0.0653","0.0438","","","0.1015","0.1123","","","","","","1.025","","","","has coordinates,has disorder","138694","2020-10-21","18:00:00",""
"7035059","11.5207","0.0004","17.2787","0.0005","22.7156","0.0007","90","","90","","90","","4521.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","GW","","","- C47 H56 F6 O P4 Pt -","- C47 H56 F6 O P4 Pt -","- C188 H224 F24 O4 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0462","0.0438","","","0.0684","0.0719","","","","","","1.023","","","","has coordinates,has disorder","138694","2020-10-21","18:00:00",""
"7035060","21.116","0.003","10.2016","0.0012","12.0731","0.0013","90","","91.709","0.004","90","","2599.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 B Br2 P -","- C32 H28 B Br2 P -","- C128 H112 B4 Br8 P4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0634","0.042","","","0.096","0.1042","","","","","","1.033","","","","has coordinates","138694","2020-10-21","18:00:00",""
"7035061","14.5181","0.0006","9.0445","0.0004","22.913","0.0009","90","","105.54","0.001","90","","2898.7","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O2 P -","- C19 H16 O2 P -","- C152 H128 O16 P8 -","8","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0397","0.0368","","","0.0965","0.0987","","","","","","1.037","","","","has coordinates","138694","2020-10-21","18:00:00",""
"7035062","11.698","0.003","17.675","0.003","19.808","0.005","90","","90","","90","","4095.5","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWr154","","","- C43 H48 F6 P4 Pt -","- C43 H48 F6 P4 Pt -","- C172 H192 F24 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0524","0.0413","","","0.0803","0.0855","","","","","","0.888","","","","has coordinates","138694","2020-10-21","18:00:00",""
"7035063","15.4644","0.0003","25.0982","0.0005","27.0905","0.0004","92.194","0.001","91.098","0.001","93.13","0.001","10488.8","0.3","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C191 H156 Au16 Cl16 O24 P12 S10 -","- C191 H156 Au16 Cl16 O24 P12 S10 -","- C382 H312 Au32 Cl32 O48 P24 S20 -","2","1","","Yu, Wen; Guggolz, Lukas; Fuhr, Olaf; Fenske, Dieter; Dehnen, Stefanie","Syntheses, structures and theoretical investigations of [Au10S2(PPh2)2(dppma2)4(dppma3)]·[Au6S2(dppma2)2(dppma3)].","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9363","9366","10.1039/c5dt01360g","","x-ray","0.71073","MoKα","","0.0779","0.0634","","","0.1669","0.177","","","","","","0.976","","","","has coordinates,has disorder","138676","2020-10-21","18:00:00",""
"7035064","12.163","0.002","12.581","0.003","15.876","0.003","71.47","0.03","73.69","0.03","69.55","0.03","2118.5","0.9","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H59 N O12 -","- C45 H59 N O12 -","- C90 H118 N2 O24 -","2","1","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","","0.71073","MoKα","","0.17","0.098","","","0.2383","0.2734","","","","","","1.101","","","","has coordinates,has disorder","138695","2020-10-21","18:00:00",""
"7035065","11.4574","0.0006","11.5478","0.0006","17.022","0.0008","77.408","0.004","87.27","0.004","74.49","0.005","2117.8","0.2","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46 H53 N O14 -","- C46 H53 N O14 -","- C92 H106 N2 O28 -","2","1","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","x-ray","1.54184","CuKα","","0.0642","0.052","","","0.142","0.1558","","","","","","1.059","","","","has coordinates,has disorder","138695","2020-10-21","18:00:00",""
"7035066","5.834","0.0012","13.603","0.003","9.863","0.002","90","","105.34","0.03","90","","754.8","0.3","123","2","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl2 Cu N O -","- C5 H5 Cl2 Cu N O -","- C20 H20 Cl8 Cu4 N4 O4 -","4","1","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","","0.71073","MoKα","","0.0579","0.0381","","","0.0707","0.0758","","","","","","1.051","","","","has coordinates","138695","2020-10-21","18:00:00",""
"7035067","12.163","0.002","12.63","0.003","16.953","0.003","105.26","0.03","101.94","0.03","97.56","0.03","2409.9","1","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H120 Cl2 Cu N2 O22 -","- C94 H120 Cl2 Cu N2 O22 -","- C94 H120 Cl2 Cu N2 O22 -","1","0.5","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","","0.71073","MoKα","","0.1283","0.0765","","","0.1777","0.1979","","","","","","1.065","","","","has coordinates,has disorder","138695","2020-10-21","18:00:00",""
"7035068","3.641","0.0006","12.6301","0.0017","12.1194","0.0013","90","","94.057","0.013","90","","555.93","0.13","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O6 -","- C12 H8 Cu N2 O6 -","- C24 H16 Cu2 N4 O12 -","2","0.5","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","x-ray","1.54184","CuKα","","0.1056","0.0826","","","0.205","0.2401","","","","","","1.077","","","","has coordinates","138695","2020-10-21","18:00:00",""
"7035069","12.1909","0.0007","12.7422","0.0006","15.5226","0.0009","81.845","0.004","73.601","0.005","69.069","0.005","2158.3","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 Cu N2 O28 -","- C92 H112 Cu N2 O28 -","- C92 H112 Cu N2 O28 -","1","0.5","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh","Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9881","9886","10.1039/c5dt01143d","","x-ray","0.71073","MoKα","","0.107","0.0755","","","0.2005","0.2229","","","","","","1.093","","","","has coordinates,has disorder","138695","2020-10-21","18:00:00",""
"7035070","23.03","0.005","23.03","0.005","64.8842","0.0012","90","","90","","120","","29803","9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C56 H49 F6 N7 O2 P Rh -","- C56 H49 F4 N7 O2 P0.666667 Rh -","- C1008 H882 F72 N126 O36 P12 Rh18 -","18","1","","Wang, Chunyan; Lam, Ho-Chuen; Zhu, Nianyong; Wong, Keith Man-Chung","Introduction of luminescent rhenium(i), ruthenium(ii), iridium(iii) and rhodium(iii) systems into rhodamine-tethered ligands for the construction of bichromophoric chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15250","15263","10.1039/c5dt00661a","","","0.71073","MoKα","","0.1751","0.0653","","","0.1782","0.2293","","","","","","0.899","","","","has coordinates,has disorder","161723","2020-10-21","18:00:00",""
"7035071","11.3642","0.0013","10.8066","0.0012","17.0884","0.0019","90","","99.153","0.002","90","","2071.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cd N2 O4 -","- C24 H19 Cd N2 O4 -","- C96 H76 Cd4 N8 O16 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Zhou, Xiang; Li, Jiang; Ning, Yan; Wang, Yao-Yu","Three new luminescent Cd(ii)-MOFs by regulating the tetracarboxylate and auxiliary co-ligands, displaying high sensitivity for Fe(3+) in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10385","10391","10.1039/c5dt00492f","","","0.71073","MoKα","","0.0524","0.0351","","","0.0827","0.1313","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035072","6.2351","0.0018","20.431","0.006","14.646","0.004","90","","92.264","0.005","90","","1864.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cd N2 O4 -","- C21 H13 Cd N2 O4 -","- C84 H52 Cd4 N8 O16 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Zhou, Xiang; Li, Jiang; Ning, Yan; Wang, Yao-Yu","Three new luminescent Cd(ii)-MOFs by regulating the tetracarboxylate and auxiliary co-ligands, displaying high sensitivity for Fe(3+) in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10385","10391","10.1039/c5dt00492f","","","0.71073","MoKα","","0.0361","0.0289","","","0.087","0.0914","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035073","15.3","0.003","12.482","0.002","18.02","0.003","90","","90.813","0.003","90","","3441","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cd N2 O4 -","- C21 H13 Cd N2 O4 -","- C168 H104 Cd8 N16 O32 -","8","1","","Wu, Yunlong; Yang, Guo-Ping; Zhou, Xiang; Li, Jiang; Ning, Yan; Wang, Yao-Yu","Three new luminescent Cd(ii)-MOFs by regulating the tetracarboxylate and auxiliary co-ligands, displaying high sensitivity for Fe(3+) in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10385","10391","10.1039/c5dt00492f","","","0.71073","MoKα","","0.0529","0.0373","","","0.0758","0.081","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035074","10.7834","0.0007","11.348","0.0007","11.3793","0.0007","70.692","0.001","75.087","0.001","82.581","0.001","1268.42","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Ir N6 O6 S2 -","- C22 H31 Ir N6 O6 S2 -","- C44 H62 Ir2 N12 O12 S4 -","2","1","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0297","0.0254","","","0.0674","0.1049","","","","","","1.229","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7035075","11.944","0.003","12.599","0.003","12.787","0.003","106.941","0.003","91.963","0.003","93.828","0.003","1833.7","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 Cl2 F6 Ir N4 O6 S4 -","- C24 H31 F6 Ir N4 O6 S4 -","- C48 H62 F12 Ir2 N8 O12 S8 -","2","1","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0698","0.0486","","","0.1168","0.1255","","","","","","1.025","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035076","12.2789","0.0008","23.1197","0.0016","19.1348","0.0013","90","","90.072","0.001","90","","5432.1","0.6","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 Cl2 Ir N4 O3 S2 -","- C22 H31 Cl2 Ir N4 S2 -","- C176 H248 Cl16 Ir8 N32 S16 -","8","1","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0275","0.021","","","0.0598","0.062","","","","","","1.114","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035077","11.339","0.0015","13.3112","0.0018","14.488","0.003","105.937","0.003","107.966","0.003","106.131","0.002","1836.4","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H39 F6 N4 O8 Rh S4 -","- C28 H35 F6 N4 O8 Rh S4 -","- C56 H70 F12 N8 O16 Rh2 S8 -","2","1","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0731","0.0459","","","0.1057","0.142","","","","","","1.066","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035078","8.7048","0.0016","8.8755","0.0016","14.672","0.003","72.896","0.003","82.099","0.003","74.103","0.003","1040","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cl4 N4 Rh2 S2 -","- C32 H46 Cl4 N4 Rh2 S2 -","- C32 H46 Cl4 N4 Rh2 S2 -","1","0.5","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0625","0.0491","","","0.1551","0.166","","","","","","1.062","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035079","15.409","0.002","7.4204","0.001","20.302","0.003","90","","100.341","0.002","90","","2283.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Cl2 N4 O3 Pd S2 -","- C14 H24 Cl2 N4 O2 Pd S2 -","- C56 H96 Cl8 N16 O8 Pd4 S8 -","4","1","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0427","0.035","","","0.0925","0.0998","","","","","","1.066","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035080","7.0196","0.0016","7.2219","0.0017","7.4813","0.0018","87.479","0.004","65.56","0.003","78.797","0.003","338.42","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N4 S2 -","- C12 H16 N4 S2 -","- C12 H16 N4 S2 -","1","0.5","","Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin","Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8797","8800","10.1039/c5dt01311a","","","0.71073","MoKα","","0.0601","0.0462","","","0.1533","0.2158","","","","","","1.147","","","","has coordinates","138729","2020-10-21","18:00:00",""
"7035081","10.528","0.002","8.7391","0.0017","24.244","0.005","90","","96.87","0.004","90","","2214.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N8 -","- C24 H22 Co N8 -","- C96 H88 Co4 N32 -","4","1","","Zhao, Jiong-Peng; Zhao, Cui; Song, Wei-Chao; Wang, Lei; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","4-Substituent pyridine directed cobalt(ii) azides: solvothermal synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10289","10296","10.1039/c5dt00568j","","","0.71075","MoKα","","0.1062","0.0566","","","0.1088","0.1245","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035082","8.1172","0.0011","8.1172","0.0011","16.652","0.003","90","","90","","90","","1097.2","0.3","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C10 H8 Co N8 -","- C10 H8 Co N8 -","- C40 H32 Co4 N32 -","4","0.5","","Zhao, Jiong-Peng; Zhao, Cui; Song, Wei-Chao; Wang, Lei; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","4-Substituent pyridine directed cobalt(ii) azides: solvothermal synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10289","10296","10.1039/c5dt00568j","","","0.71073","MoKα","","0.0301","0.0263","","","0.0534","0.0545","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035083","8.1809","0.0016","22.356","0.005","17.634","0.004","90","","94.57","0.03","90","","3214.9","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Co2 N16 -","- C28 H28 Co2 N16 -","- C112 H112 Co8 N64 -","4","1","","Zhao, Jiong-Peng; Zhao, Cui; Song, Wei-Chao; Wang, Lei; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He","4-Substituent pyridine directed cobalt(ii) azides: solvothermal synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10289","10296","10.1039/c5dt00568j","","","0.71075","MoKα","","0.0792","0.0545","","","0.09","0.0971","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035084","10.6144","0.0014","10.97","0.002","19.1417","0.0016","90.77","0.012","99.326","0.008","117.468","0.014","1941.5","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33.5 H52 I2 N4 Ni Ti3 -","- C30 H48 I2 N4 Ni Ti3 -","- C60 H96 I4 N8 Ni2 Ti6 -","2","1","","Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos","Heterometallic complexes with cube-type [MTi3N4] cores containing Group 10 metals in a variety of oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9782","9794","10.1039/c5dt01200g","","x-ray","0.71073","MoKα","","0.0877","0.0575","","","0.1551","0.1714","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035085","19.257","0.005","21.23","0.002","22.053","0.008","90","","101.86","0.03","90","","8823","4","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.25 H54 I4 N4 Pd Ti3 -","- C30 H48 I4 N4 Pd Ti3 -","- C240 H384 I32 N32 Pd8 Ti24 -","8","2","","Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos","Heterometallic complexes with cube-type [MTi3N4] cores containing Group 10 metals in a variety of oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9782","9794","10.1039/c5dt01200g","","x-ray","0.71073","MoKα","","0.0793","0.0429","","","0.091","0.1147","","","","","","1.113","","","","has coordinates","138696","2020-10-21","18:00:00",""
"7035086","18.795","0.006","11.323","0.003","27.184","0.006","90","","105.25","0.02","90","","5581","3","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 N4 O8 Pd Ti3 -","- C42 H60 N4 O8 Pd Ti3 -","- C168 H240 N16 O32 Pd4 Ti12 -","4","1","","Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos","Heterometallic complexes with cube-type [MTi3N4] cores containing Group 10 metals in a variety of oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9782","9794","10.1039/c5dt01200g","","x-ray","0.71073","MoKα","","0.1576","0.0794","","","0.1947","0.2243","","","","","","0.948","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035087","14.1217","0.001","20.2594","0.0019","22.173","0.003","84.306","0.009","77.974","0.007","77.462","0.006","6046.8","1.1","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C99 H135 I14 N8 Pt2 Ti6 -","- C90 H126 I14 N8 Pt2 Ti6 -","- C180 H252 I28 N16 Pt4 Ti12 -","2","1","","Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos","Heterometallic complexes with cube-type [MTi3N4] cores containing Group 10 metals in a variety of oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9782","9794","10.1039/c5dt01200g","","x-ray","0.71073","MoKα","","0.0798","0.0515","","","0.1169","0.1362","","","","","","1.052","","","","has coordinates","138696","2020-10-21","18:00:00",""
"7035088","14.9147","0.0006","10.5759","0.0004","16.7417","0.0008","90","","90.479","0.002","90","","2640.68","0.19","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 B N3 -","- C34 H30 B N3 -","- C136 H120 B4 N12 -","4","1","","Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich","Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9659","9671","10.1039/c5dt00908a","","","1.54178","CuKα","","0.0569","0.05","","","0.1271","0.1345","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035089","41.264","0.0006","10.5501","0.0002","16.9777","0.0003","90","","100.091","0.001","90","","7276.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 B N3 O -","- C44 H42 B N3 O -","- C352 H336 B8 N24 O8 -","8","1","","Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich","Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9659","9671","10.1039/c5dt00908a","","","0.71073","MoKα","","0.121","0.0767","","","0.1542","0.1827","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035090","19.1756","0.0003","10.4129","0.0002","30.597","0.0005","90","","96.906","0.001","90","","6065.09","0.18","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 B2 N7 -","- C76 H65 B2 N7 -","- C304 H260 B8 N28 -","4","1","","Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich","Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9659","9671","10.1039/c5dt00908a","","","0.71073","MoKα","","0.0977","0.0629","","","0.1334","0.1531","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035091","14.8875","0.0009","20.1518","0.0013","32.0673","0.0008","90","","90","","90","","9620.5","0.9","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C111 H96 B3 N9 -","- C111 H96 B3 N9 -","- C444 H384 B12 N36 -","4","1","","Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich","Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9659","9671","10.1039/c5dt00908a","","","1.54178","CuKα","","0.2002","0.0833","","","0.151","0.1842","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035092","18.4296","0.0006","26.6244","0.0009","31.157","0.001","90","","106.954","0.003","90","","14623.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C109 H113 B3 N28 O13 Zn4 -","- C109 H113 B3 N27 O11 Zn4 -","- C436 H452 B12 N108 O44 Zn16 -","4","1","","Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Zhang, Jian","Targeted design of a cubic boron imidazolate cage with sensing and reducing functions.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9367","9369","10.1039/c5dt00639b","","","1.54178","CuKα","","0.148","0.0865","","","0.2249","0.2648","","","","","","0.837","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035093","12.0013","0.0003","11.1213","0.0002","14.8617","0.0003","90","","93.86","0.002","90","","1979.09","0.07","94.98","0.13","94.98","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F10 N2 -","- C21 H13 B F10 N2 -","- C84 H52 B4 F40 N8 -","4","1","","Körte, Leif A; Warner, Robin; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular pyridine-based frustrated Lewis-pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9992","10002","10.1039/c5dt01068c","","","0.7107","MoKα","","0.0459","0.0392","","","0.1036","0.1084","","","","","","1.061","","","","has coordinates","138697","2020-10-21","18:00:00",""
"7035094","11.2973","0.0002","13.7505","0.0002","12.6885","0.0002","90","","96.5752","0.0017","90","","1958.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 B F10 N -","- C22 H14 B F10 N -","- C88 H56 B4 F40 N4 -","4","1","","Körte, Leif A; Warner, Robin; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Intramolecular pyridine-based frustrated Lewis-pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9992","10002","10.1039/c5dt01068c","","","0.7107","MoKα","","0.0468","0.0387","","","0.092","0.096","","","","","","1.084","","","","has coordinates,has disorder","138697","2020-10-21","18:00:00",""
"7035095","15.3203","0.0012","8.6991","0.0006","21.59","0.0017","90","","90.555","0.003","90","","2877.2","0.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl0 Co F6 N7 O0 P -","- C28 H22 Co F6 N7 P -","- C112 H88 Co4 F24 N28 P4 -","4","1","","Roy, Subhasis; Choubey, Somnath; Bhar, Kishalay; Sikdar, Nivedita; Costa, José Sánchez; Mitra, Partha; Ghosh, Barindra Kumar","Counter anion dependent gradual spin transition in a 1D cobalt(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7774","7776","10.1039/c5dt00056d","","","0.71073","MoKα","","0.0934","0.0755","","","0.1977","0.2096","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035096","15.2367","0.0013","8.7181","0.0008","20.8325","0.0019","90","","90.757","0.004","90","","2767","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Co F6 N7 P -","- C28 H22 Co F6 N7 P -","- C112 H88 Co4 F24 N28 P4 -","4","1","","Roy, Subhasis; Choubey, Somnath; Bhar, Kishalay; Sikdar, Nivedita; Costa, José Sánchez; Mitra, Partha; Ghosh, Barindra Kumar","Counter anion dependent gradual spin transition in a 1D cobalt(ii) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","7774","7776","10.1039/c5dt00056d","","","0.71073","MoKα","","0.1213","0.1106","","","0.2226","0.2273","","","","","","1.241","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035097","24.623","0.005","12.866","0.003","14.868","0.003","90","","96.78","0.03","90","","4677.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H97 Eu4 N7 O41 -","- C66 H54 Eu4 N2 O36 -","- C132 H108 Eu8 N4 O72 -","2","0.25","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.0346","0.0309","","","0.0902","0.092","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035098","12.903","0.003","13.782","0.003","27.912","0.006","75.64","0.03","79.46","0.03","85.71","0.03","4725","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H99 N7 O42 Tb4 -","- C81 H93 N7 O42 Tb4 -","- C162 H186 N14 O84 Tb8 -","2","1","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.058","0.0456","","","0.1231","0.1355","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035099","13.013","0.003","13.846","0.003","28.029","0.006","75.71","0.03","79.28","0.03","85.59","0.03","4806","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H99 Eu3 N7 O42 Tb -","- C81 H93 Eu3 N7 O42 Tb -","- C162 H186 Eu6 N14 O84 Tb2 -","2","1","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.0579","0.0407","","","0.1128","0.1205","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035100","13.006","0.003","13.821","0.003","27.982","0.006","75.67","0.03","79.35","0.03","85.62","0.03","4787","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H99 Eu2 N7 O42 Tb2 -","- C81 H93 Eu2 N7 O42 Tb2 -","- C162 H186 Eu4 N14 O84 Tb4 -","2","1","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.0537","0.0389","","","0.1029","0.1091","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035101","13.029","0.003","13.828","0.003","28.021","0.006","75.72","0.03","79.23","0.03","85.59","0.03","4804","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H99 Eu N7 O42 Tb3 -","- C81 H93 Eu3 N7 O42 Tb -","- C162 H186 Eu6 N14 O84 Tb2 -","2","1","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.0557","0.0393","","","0.1087","0.1155","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035102","12.955","0.003","13.814","0.003","27.962","0.006","75.69","0.03","79.38","0.03","85.69","0.03","4763","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H99 Eu0.31 N7 O42 Tb3.69 -","- C81 H93 Eu0.32 N7 O42 Tb3.68 -","- C162 H186 Eu0.64 N14 O84 Tb7.36 -","2","1","","Xing, Shanghua; Zeng, Guang; Liu, Xiaomin; Yang, Fen; Hao, Zhiqiang; Gao, Wei; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Multifunctional luminescence properties of co-doped lanthanide metal organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9588","9595","10.1039/c5dt00249d","","","0.71073","MoKα","","0.0508","0.0377","","","0.1002","0.1058","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035103","9.6538","0.0005","10.4193","0.0006","21.9388","0.0014","91.284","0.004","101.971","0.004","102.808","0.004","2099.6","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","4","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.71073","MoKα","","0.1326","0.054","","","0.1007","0.1305","","","","","","0.937","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7035104","7.4272","0.0004","8.9566","0.0006","10.4607","0.0006","72.81","0.004","70.221","0.004","78.066","0.004","621.14","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","4-(3,5-dimethyl-1H,2H-pyrazolium-4-yl)benzoic acid nitrate","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C24 H26 N6 O10 -","2","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.71073","MoKα","","0.1029","0.0484","","","0.107","0.1213","","","","","","0.876","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7035105","7.615","0.0003","19.807","0.0007","11.448","0.0005","90","","102.902","0.002","90","","1683.11","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Co N6 O10 -","- C30 H44 Co N6 O10 -","- C60 H88 Co2 N12 O20 -","2","0.5","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.71073","MoKα","","0.0929","0.0528","","","0.1084","0.1252","","","","","","1.064","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7035106","22.3458","0.0007","29.7691","0.0011","33.3734","0.0011","90","","90","","90","","22200.5","1.3","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H53 N8 O10.5 Zn2 -","- C50 H53 N8 O10.5 Zn2 -","- C800 H848 N128 O168 Zn32 -","16","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.54184","CuKα","","0.0824","0.0763","","","0.2192","0.2287","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035107","14.85742","0.00019","14.85742","0.00019","39.7127","0.0009","90","","90","","90","","8766.3","0.3","120","0.2","120","0.2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C384 H352 Co16 N64 O64 -","16","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.5418","CuKα","","0.0487","0.0418","","","0.1172","0.123","","","","","","1.044","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7035108","15.267","0.0004","21.282","0.0004","12.608","0.0004","90","","119.841","0.002","90","","3553.34","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.8 H22.2 Cd0.5 N2 O4.8 -","- C14.8 H15 Cd0.5 N2 O4.8 -","- C118.4 H120 Cd4 N16 O38.4 -","8","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.71073","MoKα","","0.0404","0.0342","","","0.0893","0.0929","","","","","","1.101","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035109","32.685","0.007","29.52","0.006","9.735","0.0019","90","","103.71","0.03","90","","9125","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H26 Cu2 N4 O10 S -","- C24 H26 Cu2 N4 O10 S -","- C192 H208 Cu16 N32 O80 S8 -","8","1","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.71083","synchrotron","","0.1337","0.1023","","","0.2701","0.2914","","","","","","1.011","","","","has coordinates","138733","2020-10-21","18:00:00",""
"7035110","23.5927","0.0004","23.5927","0.0004","11.7356","0.0003","90","","90","","90","","6532.2","0.2","120.01","0.1","123","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H38 Cu N4 O9 -","- C28 H38 Cu N4 O9 -","- C224 H304 Cu8 N32 O72 -","8","","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","1.54184","CuKα","","0.0613","0.0601","","","0.182","0.1831","","","","","","1.09","","","","has coordinates,has disorder","138733","2020-10-21","18:00:00",""
"7035111","18.658","0.004","13.47","0.003","18.736","0.004","90","","92.11","0.03","90","","4705.6","1.8","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C51 H43 Cu4 N10 O8 -","- C51 H43 Cu4 N10 O8 -","- C204 H172 Cu16 N40 O32 -","4","0.5","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.7108","Synchrotron","","0.3323","0.2556","","","0.5936","0.6441","","","","","","2.52","","","","has coordinates,has disorder","138733","2020-10-21","18:00:00",""
"7035112","15.9143","0.0019","14.3411","0.0018","13.223","0.0016","90","","98.709","0.002","90","","2983.1","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 Rh2 S4 -","- C28 H34 N4 Rh2 S4 -","- C112 H136 N16 Rh8 S16 -","4","1","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.076","0.0455","","","0.1233","0.1667","","","","","","1.066","","","","has coordinates","138609","2020-10-21","18:00:00",""
"7035113","16.4804","0.0018","13.5952","0.0015","13.7037","0.0015","90","","90","","90","","3070.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H17 Ir N2 S2 -","- C14 H17 Ir N2 S2 -","- C112 H136 Ir8 N16 S16 -","8","2","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.031","0.0237","","","0.0511","0.0539","","","","","","1.002","","","","has coordinates","138609","2020-10-21","18:00:00",""
"7035114","13.871","0.0009","26.3536","0.0017","15.6676","0.0011","90","","98.026","0.001","90","","5671.2","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 Cl4 F12 N4 O23 Rh6 S8 -","- C84 H94 Cl4 F6 N4 O16 Rh6 S6 -","- C168 H188 Cl8 F12 N8 O32 Rh12 S12 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.0843","0.0604","","","0.1793","0.1959","","","","","","1.031","","","","has coordinates,has disorder","138609","2020-10-21","18:00:00",""
"7035115","13.9252","0.0013","26.276","0.003","15.7341","0.0015","90","","97.805","0.002","90","","5703.8","1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 Cl4 F12 Ir6 N4 O23 S8 -","- C84 H94 Cl4 F6 Ir6 N4 O16 S6 -","- C168 H188 Cl8 F12 Ir12 N8 O32 S12 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.0766","0.0566","","","0.1676","0.1848","","","","","","1.066","","","","has coordinates,has disorder","138609","2020-10-21","18:00:00",""
"7035116","29.239","0.004","15.984","0.002","29.109","0.004","90","","110.88","0.002","90","","12711","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101 H140 Cl4 F12 N6 O28 Rh6 S8 -","- C101 H118 Cl4 F12 N6 O28 Rh6 S8 -","- C404 H472 Cl16 F48 N24 O112 Rh24 S32 -","4","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.128","0.0911","","","0.2416","0.2833","","","","","","1.048","","","","has coordinates,has disorder","138609","2020-10-21","18:00:00",""
"7035117","25.215","0.0014","16.4859","0.001","28.981","0.0017","90","","90","","90","","12047.2","1.2","193","2","193","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H75 Ag F3 N6 O6 Rh3 S7 -","- C42 H51 Ag N6 Rh3 S6 -","- C336 H408 Ag8 N48 Rh24 S48 -","8","1","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","A stepwise assembly of a molecular box from 16-electron half-sandwich precursors [Cp*M(pdt)] (M = Rh, Ir).","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10281","10288","10.1039/c5dt01061f","","","0.71073","MoKα","","0.0927","0.0558","","","0.1459","0.1609","","","","","","0.944","","","","has coordinates","138609","2020-10-21","18:00:00",""
"7035118","10.6994","0.0004","12.5806","0.0005","14.3433","0.0005","105.109","0.001","93.39","0.001","93.644","0.001","1854.42","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 K N8 Ni O9 -","- C29 H27 K N8 Ni O9 -","- C58 H54 K2 N16 Ni2 O18 -","2","1","","Bhardwaj, Vimal K.","Potassium induced stitching of a flexible tripodal ligand into a bi-metallic two-dimensional coordination polymer for photo-degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8801","8804","10.1039/c5dt01215e","","","0.71073","MoKα","","0.0409","0.0359","","","0.1159","0.1193","","","","","","1.119","","","","has coordinates","138734","2020-10-21","18:00:00",""
"7035119","11.524","0.008","15.116","0.011","16.715","0.012","74.45","0.03","83.73","0.04","73.38","0.04","2686","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H160 N4 O8 Ti2 -","- C116 H160 N4 O8 Ti2 -","- C116 H160 N4 O8 Ti2 -","1","0.5","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10352","10367","10.1039/c5dt01092f","","","0.71073","MoKα","","0.25","0.0958","","","0.2234","0.3125","","","","","","1.018","","","","has coordinates","138610","2020-10-21","18:00:00",""
"7035120","11.0938","0.0012","14.2299","0.0019","14.4174","0.0019","68.24","0.006","88.659","0.006","82.273","0.006","2093.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 N4 O8 Zr2 -","- C72 H96 N4 O8 Zr2 -","- C72 H96 N4 O8 Zr2 -","1","0.5","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10352","10367","10.1039/c5dt01092f","","","0.71073","MoKα","","0.0791","0.049","","","0.1297","0.1415","","","","","","1.002","","","","has coordinates","138610","2020-10-21","18:00:00",""
"7035121","19.1043","0.0007","29.5065","0.0011","30.3372","0.001","90","","97.805","0.002","90","","16942.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H204 Hf3 N6 O12 -","- C138 H204 Hf3 N6 O12 -","- C552 H816 Hf12 N24 O48 -","4","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Synthesis and characterization of group 4 metal alkoxide complexes containing imine based bis-bidentate ligands: effective catalysts for the ring opening polymerization of lactides, epoxides and polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10352","10367","10.1039/c5dt01092f","","","0.71073","MoKα","","0.1113","0.0489","","","0.1087","0.1219","","","","","","0.882","","","","has coordinates,has disorder","138610","2020-10-21","18:00:00",""
"7035122","9.57","0.002","16.1114","0.0013","10.626","0.003","90","","111.075","0.017","90","","1528.8","0.6","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Cl2 N4 Ti2 -","- C32 H42 Cl2 N4 Ti2 -","- C64 H84 Cl4 N8 Ti4 -","2","0.5","","Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11119","11128","10.1039/c5dt01320h","","x-ray","0.71073","MoKα","","0.1532","0.0695","","","0.1309","0.1643","","","","","","1.119","","","","has coordinates","143626","2020-10-21","18:00:00",""
"7035123","11.414","0.008","15.79","0.009","18.041","0.007","90","","90","","106.06","0.04","3125","3","200","2","200","2","","","","","","","synthesis as described","6","P 1 1 21/n","-P 2n","14","","","","- C32 H43 Li N6 O Ti -","- C32 H43 Li N6 O Ti -","- C128 H172 Li4 N24 O4 Ti4 -","4","1","","Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11119","11128","10.1039/c5dt01320h","","x-ray","0.71069","MoKα","","0.1334","0.0844","","","0.156","0.1793","","","","","","1.086","","","","has coordinates","143626","2020-10-21","18:00:00",""
"7035124","8.7259","0.0008","18.065","0.002","15.231","0.002","90","","101.634","0.009","90","","2351.6","0.5","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl2 Li2 N2 O3 -","- C18 H32 Cl2 Li2 N2 O3 -","- C72 H128 Cl8 Li8 N8 O12 -","4","1","","Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11119","11128","10.1039/c5dt01320h","","x-ray","0.71073","MoKα","","0.1013","0.075","","","0.1965","0.2235","","","","","","1.095","","","","has coordinates","143626","2020-10-21","18:00:00",""
"7035125","10.457","0.011","28.056","0.008","9.083","0.007","90","","100.46","0.08","90","","2621","4","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 Li2 N6 O -","- C22 H32 Cl2 Li2 N6 O -","- C88 H128 Cl8 Li8 N24 O4 -","4","1","","Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11119","11128","10.1039/c5dt01320h","","x-ray","0.71073","MoKα","","0.1152","0.0685","","","0.1516","0.1797","","","","","","1.104","","","","has coordinates","143626","2020-10-21","18:00:00",""
"7035126","8.0185","0.0015","6.6193","0.0012","11.511","0.002","90","","97.137","0.002","90","","606.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H9 Cl5 Mo N O2 -","- C5 H9 Cl5 Mo N O2 -","- C10 H18 Cl10 Mo2 N2 O4 -","2","1","","Bortoluzzi, Marco; Bresciani, Giulio; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","MoCl5 as an effective chlorinating agent towards α-amino acids: synthesis of α-ammonium-acylchloride salts and α-amino-acylchloride complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10030","10037","10.1039/c5dt01002k","","","0.71073","MoKα","","0.0588","0.0424","","","0.0728","0.0785","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035127","7.515","0.004","10.394","0.005","7.257","0.004","90","","94.4","0.009","90","","565.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cd Cu O6 Se2 -","- Cd Cu O6 Se2 -","- Cd4 Cu4 O24 Se8 -","4","1","","Cao, Xue-Li; Kong, Fang; He, Zhang-Zhen; Mao, Jiang-Gao","Structural and magnetic studies on three new mixed metal copper(ii) selenites and tellurites.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11420","11428","10.1039/c5dt01257k","","","0.71073","MoKα","","0.0343","0.0286","","","0.0614","0.0633","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035128","7.5825","0.0006","10.3667","0.0007","7.4127","0.0006","90","","95.011","0.006","90","","580.45","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cu Hg O6 Se2 -","- Cu Hg O6 Se2 -","- Cu4 Hg4 O24 Se8 -","4","1","","Cao, Xue-Li; Kong, Fang; He, Zhang-Zhen; Mao, Jiang-Gao","Structural and magnetic studies on three new mixed metal copper(ii) selenites and tellurites.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11420","11428","10.1039/c5dt01257k","","","0.71073","MoKα","","0.0251","0.0229","","","0.0486","0.0495","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035129","8.7073","0.0006","8.7073","0.0006","11.2931","0.0014","90","","90","","90","","856.21","0.14","293","2","293","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- Cu3 Hg2 O16 Te6 -","- Cu3 Hg2 O16 Te6 -","- Cu6 Hg4 O32 Te12 -","2","0.25","","Cao, Xue-Li; Kong, Fang; He, Zhang-Zhen; Mao, Jiang-Gao","Structural and magnetic studies on three new mixed metal copper(ii) selenites and tellurites.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11420","11428","10.1039/c5dt01257k","","","0.71073","MoKα","","0.0346","0.0307","","","0.073","0.0743","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035130","6.783","0.003","8.81","0.002","9.363","0.007","65.79","0.09","87.94","0.12","85.27","0.09","508.6","0.6","297","","297","","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N4 O16 V2 -","- C12 H4 N4 O16 V2 -","- C12 H4 N4 O16 V2 -","1","1","","Lankelma, Marianne; de Boer, Jeroen; Ferbinteanu, Marilena; Dantas Ramos, André Luis; Tanasa, Radu; Rothenberg, Gadi; Tanase, Stefania","A novel one-dimensional chain built of vanadyl ions and pyrazine-2,5-dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11380","11387","10.1039/c5dt01628b","","","0.71075","MoKα","","","0.0854","","","","0.2637","","","","","","1.083","","","","has coordinates","143551","2020-10-21","18:00:00",""
"7035131","15.541","0.005","15.777","0.005","17.71","0.005","90","0.005","113.229","0.005","90","0.005","3990","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris-(6-methyl pyridonate)-Titanium dimethylamido","","","- C20 H24 N4 O3 Ti -","- C20 H24 N4 O3 Ti -","- C160 H192 N32 O24 Ti8 -","8","2","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","","0.71073","MoKα","","0.0659","0.0485","","","0.1227","0.134","","","","","","1.041","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7035132","11.5499","0.0006","13.1813","0.0006","26.74","0.001","90","","102.394","0.003","90","","3976.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis-(6-methyl pyridonate) Titanium di(isopropoxide)","","","- C18 H26 N2 O4 Ti -","- C18 H26 N2 O4 Ti -","- C144 H208 N16 O32 Ti8 -","8","2","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","x-ray","0.71073","MoKα","","0.0564","0.0385","","","0.0835","0.0905","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035133","56.949","0.005","10.872","0.005","11.211","0.005","90","0.005","90","0.005","90","0.005","6941","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis-(6-methyl pyridonate) Titanium di(ethoxide)","","","- C16 H21 N2 O4 Ti -","- C16 H21 N2 O4 Ti -","- C256 H336 N32 O64 Ti16 -","16","1","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","","0.71073","MoKα","","0.0415","0.0368","","","0.0908","0.094","","","","","","1.037","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7035134","8.742","0.005","8.895","0.005","14.24","0.005","77.274","0.005","84.853","0.005","80.899","0.005","1064.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tris-(6-methyl pyridonate) Titanium isopropoxide","","","- C21 H25 N3 O4 Ti -","- C21 H25 N3 O4 Ti -","- C42 H50 N6 O8 Ti2 -","2","1","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","","0.71073","MoKα","","0.0548","0.0451","","","0.1097","0.117","","","","","","1.05","","","","has coordinates","143630","2020-10-21","18:00:00",""
"7035135","8.9799","0.0006","9.373","0.0006","12.3255","0.0008","82.246","0.004","74.71","0.004","62.042","0.004","883.83","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Bis-(6-methyl pyridonate) Titanium di(dimethylamido)","","","- C16 H24 N4 O2 Ti -","- C16 H24 N4 O2 Ti -","- C32 H48 N8 O4 Ti2 -","2","1","","Gilmour, Damon J.; Webster, Ruth L.; Perry, Mitchell R.; Schafer, Laurel L.","Titanium pyridonates for the homo- and copolymerization of rac-lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12411","12419","10.1039/c5dt01162k","","","0.71073","MoKα","","0.1004","0.0621","","","0.1188","0.1306","","","","","","1.048","","","","has coordinates","143630","2020-10-21","18:00:00",""
"7035136","18.198","0.0014","18.198","0.0014","28.872","0.005","90","","90","","90","","9561","2","293","2","293","2","","","","","","","","7","P 42/n b c :2","-P 4ac 2b","133","","","","- C76 H88 Br2 N24 O33 S2 Zn4 -","- C76 H54 Br2 N24 O33 S2 Zn4 -","- C304 H216 Br8 N96 O132 S8 Zn16 -","4","0.25","","Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin","Solvent-dependent zinc(ii) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11524","11532","10.1039/c5dt01386k","","","0.71073","MoKα","","0.0748","0.063","","","0.1904","0.204","","","","","","1.137","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035137","12.906","0.0016","18.564","0.002","20.441","0.003","96.646","0.002","108.014","0.002","100.107","0.002","4508.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61.5 H73.5 Br3 N14.5 O30 S Zn4 -","- C54 H41 Br3 N12 O20 S Zn4 -","- C108 H82 Br6 N24 O40 S2 Zn8 -","2","1","","Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin","Solvent-dependent zinc(ii) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11524","11532","10.1039/c5dt01386k","","","0.71073","MoKα","","0.1133","0.056","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035138","12.63","0.003","12.63","0.003","5.017","0.001","90","","90","","120","","693.1","0.3","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Cobalt sodium phosphate","Cobalt sodium phosphate hydroxide","","- Co12 H10.18 Na1.82 O38 P8 -","- Co12 H10.14 Na1.82 O38 P8 -","- Co12 H10.14 Na1.82 O38 P8 -","1","0.0833333","","Yakubovich, Olga V.; Kiriukhina, Galina V.; Dimitrova, Olga V.; Shvanskaya, Larisa V.; Volkova, Olga S.; Vasiliev, Alexander N.","A novel cobalt sodium phosphate hydroxide with the ellenbergerite topology: crystal structure and physical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11827","11834","10.1039/c5dt00753d","","","0.71073","MoKα","","0.0554","0.052","","","0.0737","0.0747","","","","","","1.278","","","","has coordinates","143480","2020-10-21","18:00:00",""
"7035139","17.8177","0.0002","17.8177","0.0002","16.8493","0.0002","90","","90","","90","","5349.15","0.11","223","","223","","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","AlTfO-G3","","","- C28 H56 Al2 F12 O26 S4 -","- C28 H56 Al2 F12 O26 S4 -","- C112 H224 Al8 F48 O104 S16 -","4","","","Mandai, Toshihiko; Masu, Hyuma; Johansson, Patrik","Extraordinary aluminum coordination in a novel homometallic double complex salt.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11259","11263","10.1039/c5dt01220a","","","1.54178","CuKα","","0.0557","0.054","","","0.166","0.1687","","","","","","1.102","","","","has coordinates,has disorder","143535","2020-10-21","18:00:00",""
"7035140","11.6864","0.0004","29.2257","0.0009","13.0996","0.0004","90","","108.859","0.0017","90","","4233.9","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H48 Fe2 N14 S22 -","- C78 H48 Fe2 N14 S22 -","- C156 H96 Fe4 N28 S44 -","2","1","","Dinsdale, D. R.; Lough, A. J.; Lemaire, M. T.","Structure and magnetic properties of an unusual homoleptic iron(iii) thiocyanate dimer.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11077","11082","10.1039/c5dt00743g","","","1.54178","CuKα","","0.052","0.0471","","","0.1062","0.1095","","","","","","1.028","","","","has coordinates,has disorder","143594","2020-10-21","18:00:00",""
"7035141","8.7505","0.0002","5.0769","0.0002","26.2226","0.0008","90","","96.304","0.003","90","","1157.91","0.06","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cu0.5 O5 -","- C12 H13 Cu0.5 O5 -","- C48 H52 Cu2 O20 -","4","1","","Yousuf, Imtiyaz; Arjmand, Farukh; Tabassum, Sartaj; Toupet, Loic; Khan, Rais Ahmad; Siddiqui, Maqsood Ahmad","Mechanistic insights into a novel chromone-appended Cu(ii) anticancer drug entity: in vitro binding profile with DNA/RNA substrates and cytotoxic activity against MCF-7 and HepG2 cancer cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10330","10342","10.1039/c5dt00770d","","","0.71073","MoKα","","0.0326","0.0284","","","0.0765","0.0787","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035142","5.9229","0.0012","8.1307","0.0016","10.051","0.002","107.23","0.03","97.19","0.03","93.76","0.03","455.97","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H18 Cd Cl0 N6 O0 S4 -","- C10 H16 Cd N6 S4 -","- C10 H16 Cd N6 S4 -","1","0.5","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0687","0.055","","","0.1448","0.2145","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035143","5.9186","0.0012","10.709","0.002","10.863","0.002","73.96","0.03","76.92","0.03","81.3","0.03","641.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cd2 N8 O0 S6 -","- C14 H22 Cd2 N8 S6 -","- C14 H22 Cd2 N8 S6 -","1","0.5","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0365","0.0339","","","0.1058","0.1123","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035144","10.5331","0.0006","11.2159","0.0006","15.0643","0.0007","90","","128.416","0.003","90","","1394.41","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cd2 Cl0 N8 O0 S6 -","- C16 H26 Cd2 N8 S6 -","- C32 H52 Cd4 N16 S12 -","2","0.5","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0351","0.0329","","","0.0833","0.0859","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035145","11.1025","0.0007","10.9745","0.0005","12.9968","0.0006","90","","103.624","0.004","90","","1539.03","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cd Cl0 N4 O2 S2 -","- C10 H12 Cd N4 O2 S2 -","- C40 H48 Cd4 N16 O8 S8 -","4","1","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0296","0.0221","","","0.0502","0.0547","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035146","9.9159","0.0004","12.9791","0.0008","16.8359","0.0008","68.545","0.003","88.854","0.003","79.115","0.004","1977.49","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Br4 Cd N12 O5 S5 -","- C24 H24 Br4 Cd N12 O5 S5 -","- C48 H48 Br8 Cd2 N24 O10 S10 -","2","1","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0745","0.0603","","","0.1789","0.1893","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035147","9.3655","0.0006","7.2877","0.0005","8.6164","0.0007","90","","92.869","0.004","90","","587.36","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl4 Cu N2 O0 -","- C6 H16 Cl4 Cu N2 -","- C12 H32 Cl8 Cu2 N4 -","2","0.5","","Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11470","11481","10.1039/c5dt01355k","","","0.71073","MoKα","","0.0469","0.0453","","","0.115","0.1175","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035148","17.9204","0.0003","19.8114","0.0003","36.8133","0.0005","90","","90.0457","0.0006","90","","13069.8","0.3","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C185 H359 N17 O100 Si2 Ti4 W20 -","- C185 H359 N17 O100 Si2 Ti4 W20 -","- C370 H718 N34 O200 Si4 Ti8 W40 -","2","1","","Ishimoto, Ryo; Kamata, Keigo; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and structural characterization of BINOL-modified chiral polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10947","10951","10.1039/c5dt01338k","","","0.71069","MoKα","","0.0619","0.0546","","","0.1455","0.1539","","","","","","1.081","","","","has coordinates,has disorder","143608","2020-10-21","18:00:00",""
"7035149","17.861","0.0002","19.7487","0.0002","36.5801","0.0004","90","","90.0149","0.0004","90","","12903","0.2","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H181 N9 O51 Si Ti2 W10 -","- C93 H181 N9 O51 Si Ti2 W10 -","- C372 H724 N36 O204 Si4 Ti8 W40 -","4","2","","Ishimoto, Ryo; Kamata, Keigo; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka","Synthesis and structural characterization of BINOL-modified chiral polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10947","10951","10.1039/c5dt01338k","","","0.71069","MoKα","","0.0685","0.06","","","0.1527","0.1665","","","","","","1.051","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7035150","20.6549","0.0002","20.4224","0.0001","22.6744","0.0002","90","","116.955","0.001","90","","8525.51","0.14","150","2","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Fe Ge N4 O4 Si2 -","- C37 H54 Fe Ge N4 O4 Si2 -","- C296 H432 Fe8 Ge8 N32 O32 Si16 -","8","2","","Ochiai, Tatsumi; Franz, Daniel; Wu, Xiao-Nan; Inoue, Shigeyoshi","Isolation of a germanium(ii) cation and a germylene iron carbonyl complex utilizing an imidazolin-2-iminato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10952","10956","10.1039/c5dt01554e","","x-ray","1.54184","CuKα","","0.0545","0.0376","","","0.0896","0.0987","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035151","11.907","0.0004","14.4773","0.0004","16.6752","0.0005","76.511","0.002","72.772","0.003","88.005","0.002","2667.97","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 B F15 Ge N4 Si2 -","- C51 H54 B F15 Ge N4 Si2 -","- C102 H108 B2 F30 Ge2 N8 Si4 -","2","1","","Ochiai, Tatsumi; Franz, Daniel; Wu, Xiao-Nan; Inoue, Shigeyoshi","Isolation of a germanium(ii) cation and a germylene iron carbonyl complex utilizing an imidazolin-2-iminato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10952","10956","10.1039/c5dt01554e","","","1.54184","CuKα","","0.0359","0.0326","","","0.1191","0.1284","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035152","12.021","0.0011","14.1771","0.0015","24.2","0.002","90","","93.808","0.001","90","","4115.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N5 O20 Y -","- C41 H38 N5 O20 Y -","- C164 H152 N20 O80 Y4 -","4","1","","Wei, Jian-Hua; Chen, Zhen-Feng; Qin, Jiao-Lan; Liu, Yan-Cheng; Li, Zhu-Quan; Khan, Taj-Malook; Wang, Meng; Jiang, Yan-Hua; Shen, Wen-Ying; Liang, Hong","Water-soluble oxoglaucine-Y(iii), Dy(iii) complexes: in vitro and in vivo anticancer activities by triggering DNA damage, leading to S phase arrest and apoptosis.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11408","11419","10.1039/c5dt00926j","","","0.71073","MoKα","","0.268","0.0942","","","0.2104","0.2434","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035153","11.9998","0.0002","14.1759","0.0003","24.266","0.0004","90","","93.8208","0.0016","90","","4118.67","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Dy N5 O20 -","- C40 H36 Dy N5 O20 -","- C160 H144 Dy4 N20 O80 -","4","1","","Wei, Jian-Hua; Chen, Zhen-Feng; Qin, Jiao-Lan; Liu, Yan-Cheng; Li, Zhu-Quan; Khan, Taj-Malook; Wang, Meng; Jiang, Yan-Hua; Shen, Wen-Ying; Liang, Hong","Water-soluble oxoglaucine-Y(iii), Dy(iii) complexes: in vitro and in vivo anticancer activities by triggering DNA damage, leading to S phase arrest and apoptosis.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11408","11419","10.1039/c5dt00926j","","","0.7107","MoKα","","0.0684","0.043","","","0.0849","0.0937","","","","","","1.066","","","","has coordinates","143563","2020-10-21","18:00:00",""
"7035154","21.205","0.003","13.3419","0.0018","22.253","0.003","90","","95.851","0.003","90","","6262.9","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 Co N5 O6 -","- C27 H39 Co N5 O6 -","- C216 H312 Co8 N40 O48 -","8","1","","Chen, Lei; Chen, Shu-Yang; Sun, Yi-Chen; Guo, Yu-Mei; Yu, Lu; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Z. W.; Song, You; Xue, Zi-Ling","Slow magnetic relaxation in mononuclear seven-coordinate cobalt(ii) complexes with easy plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11482","11490","10.1039/c5dt00785b","","","0.71073","MoKα","","0.1116","0.0781","","","0.2391","0.2706","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035155","11.8781","0.001","10.8093","0.0009","20.5482","0.0018","90","","102.77","0.001","90","","2573","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Co N5 O6 -","- C27 H21 Co N5 O6 -","- C108 H84 Co4 N20 O24 -","4","1","","Chen, Lei; Chen, Shu-Yang; Sun, Yi-Chen; Guo, Yu-Mei; Yu, Lu; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Z. W.; Song, You; Xue, Zi-Ling","Slow magnetic relaxation in mononuclear seven-coordinate cobalt(ii) complexes with easy plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11482","11490","10.1039/c5dt00785b","","","0.71073","MoKα","","0.0557","0.0429","","","0.1164","0.1245","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035156","10.7017","0.0005","22.839","0.001","19.6186","0.0009","90","","93.341","0.001","90","","4787","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H74 B N2 Nd O3 -","- C45 H74 B N2 Nd O3 -","- C180 H296 B4 N8 Nd4 O12 -","4","1","","Bonnet, Fanny; Dyer, Hellen E.; El Kinani, Yassine; Dietz, Carin; Roussel, Pascal; Bria, Marc; Visseaux, Marc; Zinck, Philippe; Mountford, Philip","Bis(phenolate)amine-supported lanthanide borohydride complexes for styrene and trans-1,4-isoprene (co-)polymerisations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12312","12325","10.1039/c5dt00252d","","","0.71069","MoKα","","0.0934","0.0525","","0.0853","0.0553","0.0521","","","","","","1.1281","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035157","10.9086","0.0002","12.4311","0.0003","14.3552","0.0003","82.603","0.001","86.468","0.002","87.025","0.001","1924.88","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H115 B2 N4 Nd2 O4 -","- C79 H115 B2 N4 Nd2 O4 -","- C79 H115 B2 N4 Nd2 O4 -","1","0.5","","Bonnet, Fanny; Dyer, Hellen E.; El Kinani, Yassine; Dietz, Carin; Roussel, Pascal; Bria, Marc; Visseaux, Marc; Zinck, Philippe; Mountford, Philip","Bis(phenolate)amine-supported lanthanide borohydride complexes for styrene and trans-1,4-isoprene (co-)polymerisations.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12312","12325","10.1039/c5dt00252d","","","0.71069","MoKα","","0.0579","0.039","","0.0425","0.0356","0.0343","","","","","","1.1176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035158","14.86","0.003","23.493","0.004","26.472","0.005","90","","90","","90","","9242","3","175","2","175","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H61 F3 Fe N8 O5 S -","- C42 H61 F3 Fe N8 O5 S -","- C336 H488 F24 Fe8 N64 O40 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0624","0.0445","","","0.1201","0.134","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035159","10.718","0.002","16.199","0.003","27.605","0.006","90","","90","","90","","4792.8","1.6","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 Co F6 N7 O7 S2 -","- C42 H59 Co F6 N7 O7 S2 -","- C168 H236 Co4 F24 N28 O28 S8 -","4","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0524","0.0373","","","0.0827","0.0881","","","","","","1.016","","","","has coordinates,has disorder","138614","2020-10-21","18:00:00",""
"7035160","15.642","0.0003","23.5381","0.0005","25.1862","0.0006","90","","101.847","0.001","90","","9075.6","0.3","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H111 F6 Mn2 N16 O6 S4 -","- C79 H105 F6 Mn2 N16 O6 S4 -","- C316 H420 F24 Mn8 N64 O24 S16 -","4","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","1.54178","CuKα","","0.0483","0.0407","","","0.1047","0.109","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035161","15.0279","0.0013","23.222","0.002","26.969","0.002","90","","90","","90","","9411.6","1.3","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H60 F3 Mn N8 O5 S -","- C38 H51 F3 Mn N7.972 O4 S -","- C304 H408 F24 Mn8 N63.776 O32 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","1.54178","CuKα","","0.0972","0.069","","","0.1634","0.1785","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035162","15.225","0.002","23.068","0.003","26.462","0.004","90","","90","","90","","9294","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H69 F3 Fe N12 O5 S -","- C37 H51 F3 Fe N10 O3 S -","- C296 H408 F24 Fe8 N80 O24 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0741","0.0479","","","0.122","0.1334","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035163","15.471","0.004","23.427","0.006","24.935","0.007","90","","101.761","0.003","90","","8848","4","166","2","166","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H111 Co2 F6 N20 O6 S2 -","- C83 H111 Co2 F6 N20 O6 S2 -","- C332 H444 Co8 F24 N80 O24 S8 -","4","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0524","0.0366","","","0.0901","0.0995","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035164","15.3462","0.0004","23.0779","0.0005","26.5156","0.0007","90","","90","","90","","9390.7","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H51 Co F3 N8 O3 S2 -","- C38 H51 Co F3 N8 O3 S2 -","- C304 H408 Co8 F24 N64 O24 S16 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0563","0.0402","","","0.1063","0.113","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035165","8.9091","0.0001","30.6079","0.0004","10.6845","0.0001","90","","90","","90","","2913.54","0.06","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H37 Br2 N5 Pd -","- C27 H37 Br2 N5 Pd -","- C108 H148 Br8 N20 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0276","0.0268","","","0.0702","0.0708","","","","","","1.025","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035166","9.1029","0.0001","30.301","0.0004","10.3398","0.0001","90","","90","","90","","2852","0.06","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H35 Br2 N5 O2 Pd -","- C26 H35 Br2 N5 O2 Pd -","- C104 H140 Br8 N20 O8 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.036","0.0347","","","0.0874","0.088","","","","","","1.052","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035167","27.3117","0.0002","9.9814","0.0001","16.1229","0.0001","90","","96.517","0.001","90","","4366.85","0.06","100.01","0.01","100.01","0.01","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Br2 N3 Pd -","- C20 H23 Br2 N3 Pd -","- C160 H184 Br16 N24 Pd8 -","8","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0233","0.0231","","","0.0586","0.0598","","","","","","1.119","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035168","8.9759","0.0002","29.9396","0.0006","11.4183","0.0003","90","","90","","90","","3068.5","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H33 Br2 Cl2 N5 Pd -","- C29 H33 Br2 Cl2 N5 Pd -","- C116 H132 Br8 Cl8 N20 Pd4 -","4","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0341","0.0326","","","0.0796","0.0805","","","","","","1.102","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035169","12.2308","0.0005","12.6784","0.0004","20.4542","0.0005","75.175","0.002","85.812","0.003","81.398","0.003","3029.69","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Br4 N10 Pd2 -","- C50 H56 Br4 N10 Pd2 -","- C100 H112 Br8 N20 Pd4 -","2","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.0863","0.0728","","","0.2181","0.2308","","","","","","1.538","","","","has coordinates","143598","2020-10-21","18:00:00",""
"7035170","9.3316","0.0003","16.9562","0.0005","25.8379","0.0005","72.281","0.002","80.109","0.002","88.82","0.003","3834.27","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H69 Br6 Cl12 N9 Pd3 -","- C62 H69 Br6 Cl12 N9 Pd3 -","- C124 H138 Br12 Cl24 N18 Pd6 -","2","1","","McNeill, Samantha M.; Preston, Dan; Lewis, James E. M.; Robert, Anja; Knerr-Rupp, Katrin; Graham, Danyon O.; Wright, James R.; Giles, Gregory I.; Crowley, James D.","Biologically active [Pd2L4](4+) quadruply-stranded helicates: stability and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11129","11136","10.1039/c5dt01259g","","","1.54184","CuKα","","0.1382","0.1103","","","0.3006","0.3333","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035171","19.541","0.008","23.25","0.009","25.627","0.009","90","","106.08","0.02","90","","11188","8","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C98 H62 N8 O20 Re4 -","- C98 H62 N8 O20 Re4 -","- C392 H248 N32 O80 Re16 -","4","0.5","","Elumalai, Palani; Kanagaraj, Rajendiran; Marimuthu, Rajendiran; Shankar, Bhaskaran; Kalita, Alok Ch; Sathiyendiran, Malaichamy","Rhenium(i)-based bridgeless double metallocalix[4]arenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11274","11277","10.1039/c5dt00841g","","","0.71075","MoKα","","0.053","0.0465","","","0.0933","0.0966","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035172","11.8626","0.0004","14.7096","0.0005","20.6473","0.0007","83.72","0.003","74.333","0.003","69.949","0.003","3258.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H41 Br4 N3 O3 Re -","- C22 H41 Br4 N3 O3 Re -","- C88 H164 Br16 N12 O12 Re4 -","4","2","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11636","11648","10.1039/c5dt01321f","","x-ray","1.54184","CuKα","","0.0427","0.0316","","","0.0709","0.0773","","","","","","1.025","","","","has coordinates,has disorder","143529","2020-10-21","18:00:00",""
"7035173","11.7486","0.0001","19.72731","0.00014","18.11565","0.00014","90","","108.273","0.0009","90","","3986.91","0.06","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H59 Br8 N13 Ni2 O6 Re2 -","- C70 H59 Br8 N13 Ni2 O6 Re2 -","- C140 H118 Br16 N26 Ni4 O12 Re4 -","2","0.5","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11636","11648","10.1039/c5dt01321f","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0842","0.0851","","","","","","1.122","","","","has coordinates","143529","2020-10-21","18:00:00",""
"7035174","11.7505","0.0002","19.9118","0.0003","18.0279","0.0004","90","","107.768","0.002","90","","4016.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H60 Br8 Co2 N12 O7 Re2 -","- C69 H60 Br8 Co2 N12 O7 Re2 -","- C138 H120 Br16 Co4 N24 O14 Re4 -","2","0.5","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11636","11648","10.1039/c5dt01321f","","x-ray","1.54184","CuKα","","0.0501","0.045","","","0.116","0.1194","","","","","","1.052","","","","has coordinates","143529","2020-10-21","18:00:00",""
"7035175","10.96409","0.00015","19.3015","0.0003","18.0987","0.0003","90","","96.1198","0.0013","90","","3808.28","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Br4 Mn N6 O5 Re -","- C34 H32 Br4 Mn N6 O5 Re -","- C136 H128 Br16 Mn4 N24 O20 Re4 -","4","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11636","11648","10.1039/c5dt01321f","","x-ray","1.54184","CuKα","","0.0276","0.0236","","","0.0556","0.0575","","","","","","1.067","","","","has coordinates","143529","2020-10-21","18:00:00",""
"7035176","11.61543","0.00013","16.7655","0.00016","16.03665","0.00017","90","","94.4673","0.001","90","","3113.47","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Cu N6 O3 Re -","- C26 H20 Br4 Cu N6 O3 Re -","- C104 H80 Br16 Cu4 N24 O12 Re4 -","4","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","The crystal structure and magnetic properties of 3-pyridinecarboxylate-bridged Re(ii)M(ii) complexes (M = Cu, Ni, Co and Mn).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11636","11648","10.1039/c5dt01321f","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0849","0.0871","","","","","","1.052","","","","has coordinates,has disorder","143529","2020-10-21","18:00:00",""
"7035177","6.5515","0.0001","6.8589","0.0001","8.2427","0.0001","90","","90.063","0.001","90","","370.394","0.009","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Ge Li2 Se4 Zn -","- Ge Li2 Se4 Zn -","- Ge2 Li4 Se8 Zn2 -","2","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11212","11222","10.1039/c5dt01635e","","","0.71073","MoKα","","0.0335","0.0328","","","0.0802","0.0806","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035178","6.6848","0.0001","7.0303","0.0001","8.3234","0.0001","90","","90.05","0.001","90","","391.168","0.009","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Li2 Se4 Sn Zn -","- Li2 Se4 Sn Zn -","- Li4 Se8 Sn2 Zn2 -","2","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.","Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11212","11222","10.1039/c5dt01635e","","","0.71073","MoKα","","0.0139","0.0138","","","0.0335","0.0336","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035179","27.41","0.0008","27.41","0.0008","6.7279","0.0002","90","","90","","120","","4377.5","0.2","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 Cd N O6.76 P -","- C3 Cd N O6.76398 P -","- C54 Cd18 N18 O121.752 P18 -","18","1","","Waitschat, Steve; Wharmby, Michael T.; Stock, Norbert","Flow-synthesis of carboxylate and phosphonate based metal-organic frameworks under non-solvothermal reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11235","11240","10.1039/c5dt01100k","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0156","1.14125","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035180","6.719","0.001","8.1323","0.0013","10.5527","0.0016","95.083","0.002","100.796","0.002","103.617","0.002","545.14","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 O8 U -","- C8 H8 O8 U -","- C16 H16 O16 U2 -","2","1","","Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng","A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11562","11571","10.1039/c5dt01470k","","","0.71073","MoKα","","0.0313","0.0301","","","0.0786","0.0794","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035181","6.8418","0.0005","10.4751","0.0007","13.1315","0.0009","86.141","0.001","86.106","0.001","71.252","0.001","888.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 O22 U2 -","- C32 H24 O22 U2 -","- C32 H24 O22 U2 -","1","0.5","","Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng","A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11562","11571","10.1039/c5dt01470k","","","0.71073","MoKα","","0.0204","0.0187","","","0.045","0.0456","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035182","6.5012","0.001","9.5533","0.0014","14.649","0.002","90","","95.927","0.002","90","","905","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O8 U -","- C14 H18 N2 O8 U -","- C28 H36 N4 O16 U2 -","2","0.5","","Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng","A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11562","11571","10.1039/c5dt01470k","","","0.71073","MoKα","","0.0332","0.022","","","0.0503","0.053","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035183","7.6328","0.0012","17.461","0.003","5.3032","0.0008","90","","95.692","0.002","90","","703.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng","A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11562","11571","10.1039/c5dt01470k","","","0.71073","MoKα","","0.0259","0.0259","","","0.066","0.066","","","","","","1.17","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035184","11.566","0.001","11.566","0.001","16.035","0.003","90","","90","","120","","1857.7","0.4","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C27 H22 Cd N2 O4 S2 -","- C27 H22 Cd N2 O4 S2 -","- C81 H66 Cd3 N6 O12 S6 -","3","0.5","","Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11852","11859","10.1039/c5dt01454a","","","0.71073","MoKα","","0.0954","0.0888","","","0.1913","0.196","","","","","","1.077","","","","has coordinates","143478","2020-10-21","18:00:00",""
"7035185","11.684","0.004","11.684","0.004","16.157","0.008","90","","90","","120","","1910.2","1.3","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C27 H22 Cd N2 O4 S2 -","- C27 H22 Cd N2 O4 S2 -","- C81 H66 Cd3 N6 O12 S6 -","3","0.5","","Sun, Yan-Qiong; Zhong, Jie-Cen; Ding, Ling; Chen, Yi-Ping","Syntheses, structures, photoluminescence and photocatalysis of chiral 3D Cd(ii) frameworks from achiral mixed flexible ligands by spontaneous resolution.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11852","11859","10.1039/c5dt01454a","","","0.71073","MoKα","","0.1575","0.093","","","0.1268","0.1509","","","","","","1.024","","","","has coordinates","143478","2020-10-21","18:00:00",""
"7035186","10.533","0.0004","19.3123","0.0008","16.1038","0.0007","90","","103.348","0.0008","90","","3187.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cl2 F4 N2 O2 Ti -","- C34 H36 Cl2 F4 N2 O2 Ti -","- C136 H144 Cl8 F16 N8 O8 Ti4 -","4","1","","Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.","Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12265","12272","10.1039/c5dt01104c","","","0.71073","MoKα","","0.0703","0.0454","","","0.1033","0.1134","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035187","26.09","0.004","9.2839","0.0011","16.883","0.002","90","","107.216","0.005","90","","3906.1","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H37 Cl2 F10 N2 O2 Ti -","- C41 H37 Cl2 F10 N2 O2 Ti -","- C164 H148 Cl8 F40 N8 O8 Ti4 -","4","0.5","","Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.","Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12265","12272","10.1039/c5dt01104c","","","0.71073","MoKα","","0.0497","0.0342","","","0.0914","0.0979","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035188","10.5392","0.0015","12.9101","0.0017","29.846","0.004","90","","98.051","0.004","90","","4020.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl2 F6 N2 O2 Ti -","- C36 H38 Cl2 F6 N2 O2 Ti -","- C144 H152 Cl8 F24 N8 O8 Ti4 -","4","1","","Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.","Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12265","12272","10.1039/c5dt01104c","","","0.71073","MoKα","","0.0691","0.0485","","","0.1222","0.1309","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035189","13.5188","0.0016","13.5188","0.0016","33.888","0.006","90","","90","","120","","5363.6","1.3","173","2","173","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C36 H34 Cl2 F10 N2 O2 Ti -","- C36 H34 Cl2 F10 N2 O2 Ti -","- C216 H204 Cl12 F60 N12 O12 Ti6 -","6","0.5","","Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W.","Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12265","12272","10.1039/c5dt01104c","","","0.71073","MoKα","","0.0629","0.0422","","","0.0788","0.0836","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035190","9.875","0.002","10.924","0.002","11.134","0.002","95.459","0.006","114.801","0.005","111.466","0.005","969.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 Mn3 N2 O18 -","- C30 H50 Mn3 N2 O18 -","- C30 H50 Mn3 N2 O18 -","1","0.5","","Pait, Moumita; Shatruk, Michael; Ray, Debashis","Anion coordination selective [Mn3] and [Mn4] assemblies: synthesis, structural diversity, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11741","11754","10.1039/c5dt01157d","","","0.71073","MoKα","","0.0677","0.0395","","","0.09","0.1032","","","","","","1.047","","","","has coordinates","143484","2020-10-21","18:00:00",""
"7035191","11.357","0.006","10.602","0.005","18.852","0.009","90","","106.516","0.016","90","","2176.3","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl4 Mn3 N2 O18 -","- C32 H48 Cl4 Mn3 N2 O18 -","- C64 H96 Cl8 Mn6 N4 O36 -","2","0.5","","Pait, Moumita; Shatruk, Michael; Ray, Debashis","Anion coordination selective [Mn3] and [Mn4] assemblies: synthesis, structural diversity, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11741","11754","10.1039/c5dt01157d","","","0.71073","MoKα","","0.138","0.0788","","","0.2036","0.2346","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035192","11.922","0.0009","12.4025","0.0009","42.763","0.003","90","","96.768","0.002","90","","6279","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl Mn4 N7 O17 S3 -","- C50 H70 Cl Mn4 N7 O17 S3 -","- C200 H280 Cl4 Mn16 N28 O68 S12 -","4","1","","Pait, Moumita; Shatruk, Michael; Ray, Debashis","Anion coordination selective [Mn3] and [Mn4] assemblies: synthesis, structural diversity, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11741","11754","10.1039/c5dt01157d","","","0.71073","MoKα","","0.1482","0.0755","","","0.1921","0.2351","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035193","11.6789","0.0018","45.485","0.007","16.2162","0.0019","90","","131.03","0.007","90","","6498.3","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 Cl2 Mn4 N4 O21 S3 -","- C50 H70 Cl2 Mn4 N4 O21 S3 -","- C200 H280 Cl8 Mn16 N16 O84 S12 -","4","1","","Pait, Moumita; Shatruk, Michael; Ray, Debashis","Anion coordination selective [Mn3] and [Mn4] assemblies: synthesis, structural diversity, magnetic properties and catechol oxidase activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11741","11754","10.1039/c5dt01157d","","","0.71073","MoKα","","0.1385","0.0828","","","0.2174","0.2539","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035194","21.9969","0.0004","10.4072","0.0002","24.4603","0.0004","90","","104.156","0.002","90","","5429.56","0.18","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C64 H56 Cu2 I2 P4 -","- C64 H56 Cu2 I2 P4 -","- C256 H224 Cu8 I8 P16 -","4","1","","Kang, Liju; Chen, Jin; Teng, Teng; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Experimental and theoretical studies of highly emissive dinuclear Cu(i) halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11649","11659","10.1039/c5dt01292a","","","1.5418","CuKα","","0.0441","0.0388","","","0.0991","0.1037","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035195","19.6495","0.0008","10.3582","0.0003","28.0646","0.001","90","","110.437","0.004","90","","5352.5","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Br2 Cu2 P4 -","- C64 H56 Br2 Cu2 P4 -","- C256 H224 Br8 Cu8 P16 -","4","0.5","","Kang, Liju; Chen, Jin; Teng, Teng; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Experimental and theoretical studies of highly emissive dinuclear Cu(i) halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11649","11659","10.1039/c5dt01292a","","x-ray","1.54184","CuKα","","0.0424","0.0365","","","0.0901","0.0936","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035196","19.387","0.0005","10.4225","0.0002","27.8742","0.0009","90","","109.48","0.003","90","","5309.9","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Cl2 Cu2 P4 -","- C64 H56 Cl2 Cu2 P4 -","- C256 H224 Cl8 Cu8 P16 -","4","0.5","","Kang, Liju; Chen, Jin; Teng, Teng; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong","Experimental and theoretical studies of highly emissive dinuclear Cu(i) halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11649","11659","10.1039/c5dt01292a","","x-ray","1.54184","CuKα","","0.0434","0.0355","","","0.091","0.0965","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035197","21.1486","0.0012","12.7425","0.0007","18.4902","0.001","90","","114.813","0.002","90","","4522.8","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 F12 N13 O12 S4 -","- C30 H31 F12 N13 O12 S4 -","- C120 H124 F48 N52 O48 S16 -","4","1","","Altmann, Philipp J.; Jandl, Christian; Pöthig, Alexander","Introducing a pyrazole/imidazole based hybrid cyclophane: a hydrogen bond sensor and binucleating ligand precursor.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11278","11281","10.1039/c5dt01775k","","x-ray","0.71073","MoKα","","0.0577","0.0487","","","0.1226","0.13","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035198","17.748","0.002","14.432","0.002","17.585","0.002","90","","90","","90","","4504.2","1","123","","123","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H37 F24 N15 P4 -","- C30 H37 F24 N15 P4 -","- C120 H148 F96 N60 P16 -","4","0.5","","Altmann, Philipp J.; Jandl, Christian; Pöthig, Alexander","Introducing a pyrazole/imidazole based hybrid cyclophane: a hydrogen bond sensor and binucleating ligand precursor.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11278","11281","10.1039/c5dt01775k","","x-ray","0.71073","MoKα","","0.0558","0.0484","","","0.13","0.136","","","","","","1.057","","","","has coordinates","143547","2020-10-21","18:00:00",""
"7035199","16.9279","0.001","14.4946","0.0008","28.059","0.0015","90","","93.054","0.004","90","","6874.9","0.7","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F12 N13 Ni2 O P2 -","- C27 H29 F12 N13 Ni2 O P2 -","- C216 H232 F96 N104 Ni16 O8 P16 -","8","2","","Altmann, Philipp J.; Jandl, Christian; Pöthig, Alexander","Introducing a pyrazole/imidazole based hybrid cyclophane: a hydrogen bond sensor and binucleating ligand precursor.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11278","11281","10.1039/c5dt01775k","","x-ray","0.71073","MoKα","","0.085","0.047","","","0.1007","0.1179","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035200","13.8813","0.0006","16.8687","0.0007","24.0954","0.0007","70.009","0.003","76.91","0.003","70.625","0.004","4961.1","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H75 Cl2 N2 P Ru -","- C53 H75 Cl2 N2 P Ru -","- C212 H300 Cl8 N8 P4 Ru4 -","4","2","","Yu, Baoyi; Hamad, Fatma B.; Sels, Bert; Van Hecke, Kristof; Verpoort, Francis","Ruthenium indenylidene complexes bearing N-alkyl/N-mesityl-substituted N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11835","11842","10.1039/c5dt00967g","","","1.54184","CuKα","","0.0959","0.0625","","","0.1392","0.1674","","","","","","1.053","","","","has coordinates,has disorder","143501","2020-10-21","18:00:00",""
"7035201","9.8957","0.0005","12.6238","0.0006","17.6587","0.0006","92.11","0.003","100.964","0.004","102.538","0.004","2107","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H61 Cl2 N2 P Ru -","- C46 H61 Cl2 N2 P Ru -","- C92 H122 Cl4 N4 P2 Ru2 -","2","1","","Yu, Baoyi; Hamad, Fatma B.; Sels, Bert; Van Hecke, Kristof; Verpoort, Francis","Ruthenium indenylidene complexes bearing N-alkyl/N-mesityl-substituted N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11835","11842","10.1039/c5dt00967g","","","1.54184","CuKα","","0.071","0.0533","","","0.1366","0.1531","","","","","","1.03","","","","has coordinates,has disorder","143501","2020-10-21","18:00:00",""
"7035202","11.9873","0.0005","12.0758","0.0004","13.9907","0.0006","67.575","0.004","84.781","0.003","74.448","0.003","1803.4","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H57 Cl2 N2 P Ru -","- C38 H57 Cl2 N2 P Ru -","- C76 H114 Cl4 N4 P2 Ru2 -","2","1","","Yu, Baoyi; Hamad, Fatma B.; Sels, Bert; Van Hecke, Kristof; Verpoort, Francis","Ruthenium indenylidene complexes bearing N-alkyl/N-mesityl-substituted N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11835","11842","10.1039/c5dt00967g","","x-ray","1.54184","CuKα","","0.0458","0.036","","","0.0874","0.0933","","","","","","1.031","","","","has coordinates","143501","2020-10-21","18:00:00",""
"7035203","33.7446","0.0006","14.667","0.0003","19.0468","0.0003","90","","94.2889","0.0014","90","","9400.5","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C103 H140 Cl6 N4 P2 Ru2 -","- C103 H140 Cl6 N4 P2 Ru2 -","- C412 H560 Cl24 N16 P8 Ru8 -","4","0.5","","Yu, Baoyi; Hamad, Fatma B.; Sels, Bert; Van Hecke, Kristof; Verpoort, Francis","Ruthenium indenylidene complexes bearing N-alkyl/N-mesityl-substituted N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11835","11842","10.1039/c5dt00967g","","","0.71073","MoKα","","0.0991","0.0576","","","0.108","0.1252","","","","","","1.052","","","","has coordinates","143501","2020-10-21","18:00:00",""
"7035204","9.741","0.0001","21.5258","0.0005","13.7748","0.0002","90","","94.404","0.001","90","","2879.81","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N4 Se2 -","- C30 H33 N4 Se2 -","- C120 H132 N16 Se8 -","4","1","","Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11893","11900","10.1039/c5dt01565k","","","1.54178","CuKα","","0.0768","0.0636","","","0.1809","0.1959","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035205","9.7586","0.0003","21.6201","0.0013","14.0678","0.0005","90","","93.418","0.003","90","","2962.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N4 Te2 -","- C30 H34 N4 Te2 -","- C120 H136 N16 Te8 -","4","1","","Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11893","11900","10.1039/c5dt01565k","","","0.71073","MoKα","","0.1177","0.0896","","","0.2506","0.2995","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035206","13.4416","0.0004","20.7586","0.0007","12.6712","0.0004","90","","107.462","0.004","90","","3372.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Br N6 Se2 -","- C32 H23 Br N6 Se2 -","- C128 H92 Br4 N24 Se8 -","4","1","","Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11893","11900","10.1039/c5dt01565k","","","0.71073","MoKα","","0.1834","0.0493","","","0.1135","0.1285","","","","","","0.725","","","","has coordinates","143506","2020-10-21","18:00:00",""
"7035207","8.0559","0.0002","13.1124","0.0003","13.8977","0.0003","90","","96.673","0.002","90","","1458.1","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N4 Pd Se -","- C14 H13 Cl N4 Pd Se -","- C56 H52 Cl4 N16 Pd4 Se4 -","4","1","","Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11893","11900","10.1039/c5dt01565k","","","1.54178","CuKα","","0.0417","0.0402","","","0.1091","0.1107","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035208","6.82075","0.00019","10.9648","0.0003","25.1631","0.0006","90","","95.769","0.002","90","","1872.37","0.09","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F12 N8 P2 Pd Se4 -","- C28 H28 F12 N8 P2 Pd Se4 -","- C56 H56 F24 N16 P4 Pd2 Se8 -","2","0.5","","Ghavale, Ninad; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Bis(chalcogenones) as pincer ligands: isolation and Heck activity of the selone-ligated unsymmetrical C,C,Se-Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11893","11900","10.1039/c5dt01565k","","","1.54184","CuKα","","0.0509","0.045","","","0.1167","0.1226","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035209","12.4497","0.0008","12.8216","0.0008","15.5296","0.001","91.385","0.001","106.155","0.001","112.428","0.001","2177.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H68 Au4 Cl12 N6 P4 -","- C86 H68 Au4 Cl12 N6 P4 -","- C86 H68 Au4 Cl12 N6 P4 -","1","0.5","","Yang, Xi; Wang, Shanshan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Organogold oligomers: exploiting iClick and aurophilic cluster formation to prepare solution stable Au4 repeating units.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11437","11443","10.1039/c5dt00282f","","","0.71073","MoKα","","0.0317","0.0285","","","0.0728","0.0745","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035210","17.4114","0.0012","16.8969","0.0012","16.797","0.0012","90","","99.4513","0.0014","90","","4874.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Au4 N6 P4 -","- C48.024 H54.02 Au4 N6 P4 -","- C192.096 H216.08 Au16 N24 P16 -","4","1","","Yang, Xi; Wang, Shanshan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Organogold oligomers: exploiting iClick and aurophilic cluster formation to prepare solution stable Au4 repeating units.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11437","11443","10.1039/c5dt00282f","","","0.71073","MoKα","","0.0405","0.0339","","","0.086","0.0918","","","","","","1.163","","","","has coordinates,has disorder","143537","2020-10-21","18:00:00",""
"7035211","17.0309","0.001","23.5362","0.0014","12.0454","0.0007","90","","90","","90","","4828.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H70 Au4 N6 P4 -","- C40 H70 Au4 N6 P4 -","- C160 H280 Au16 N24 P16 -","4","1","","Yang, Xi; Wang, Shanshan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Organogold oligomers: exploiting iClick and aurophilic cluster formation to prepare solution stable Au4 repeating units.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11437","11443","10.1039/c5dt00282f","","","0.71073","MoKα","","0.0227","0.0195","","","0.0428","0.0435","","","","","","0.918","","","","has coordinates,has disorder","143537","2020-10-21","18:00:00",""
"7035212","11.289","0.0002","49.9471","0.0009","16.5855","0.0003","90","","90","","90","","9351.8","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","iPrGe5","","- C40 H70 Ge5 -","- C40 H70 Ge5 -","- C320 H560 Ge40 -","8","1","","Tanimoto, Hiroki; Nagao, Tomohiko; Fujiwara, Taro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Stepwise synthesis and characterization of germa[4], [5], [8], and [10]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11811","11818","10.1039/c5dt01411e","","","0.71075","MoKα","","0.0734","0.0639","","","0.0942","0.0971","","","","","","1.128","","","","has coordinates","143486","2020-10-21","18:00:00",""
"7035213","8.62692","0.00016","16.1073","0.0003","18.5212","0.0003","105.931","0.0007","96.9004","0.0007","104.537","0.0007","2345.65","0.07","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","iPrGe10","","- C80 H140 Ge10 -","- C80 H140 Ge10 -","- C80 H140 Ge10 -","1","0.5","","Tanimoto, Hiroki; Nagao, Tomohiko; Fujiwara, Taro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Stepwise synthesis and characterization of germa[4], [5], [8], and [10]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11811","11818","10.1039/c5dt01411e","","","0.71075","MoKα","","0.0189","0.017","","","0.0432","0.049","","","","","","1.123","","","","has coordinates","143486","2020-10-21","18:00:00",""
"7035214","17.5446","0.0003","25.9092","0.0005","27.6526","0.0005","90","","103.989","0.001","90","","12197.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","PhGe5","","- C70 H50 Ge5 -","- C70 H50 Ge5 -","- C560 H400 Ge40 -","8","2","","Tanimoto, Hiroki; Nagao, Tomohiko; Fujiwara, Taro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Stepwise synthesis and characterization of germa[4], [5], [8], and [10]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11811","11818","10.1039/c5dt01411e","","","0.71075","MoKα","","0.1209","0.076","","","0.1746","0.1948","","","","","","1.084","","","","has coordinates,has disorder","143486","2020-10-21","18:00:00",""
"7035215","20.2535","0.0004","8.91367","0.00016","34.6372","0.0006","90","","105.409","0.0007","90","","6028.37","0.19","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","PhGe10","","- C140 H100 Ge10 -","- C140 H100 Ge10 -","- C280 H200 Ge20 -","2","0.5","","Tanimoto, Hiroki; Nagao, Tomohiko; Fujiwara, Taro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Stepwise synthesis and characterization of germa[4], [5], [8], and [10]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11811","11818","10.1039/c5dt01411e","","","0.71075","MoKα","","0.0377","0.0287","","","0.0619","0.0645","","","","","","1.058","","","","has coordinates","143486","2020-10-21","18:00:00",""
"7035216","15.726","0.003","14.091","0.003","20.346","0.004","90","","93.632","0.004","90","","4499.5","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","TpyRu-Ag Polymer","","- C36 H34 Ag F18 N10 O P3 Ru -","- C36 H34 Ag F18 N10 O P3 Ru -","- C144 H136 Ag4 F72 N40 O4 P12 Ru4 -","4","1","","Liu, Die; Liu, Qianqian; Li, Yiming; Wang, Meng; Yang, Xiaoyu; Wu, Tun; Moorefield, Charles; Wang, Pingshan; Newkome, George R.","A TpyRu(2+)-based bismetallopolymer and its performance in catalytic water oxidation (Tpy = 4-(p-methoxyphenyl)-2,2':6',2''-terpyridine).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11269","11273","10.1039/c5dt01004g","","","0.71073","MoKα","","0.0621","0.0478","","","0.1123","0.1199","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035217","20.1418","0.0013","13.1796","0.001","39.621","0.002","90","","92.784","0.005","90","","10505.4","1.2","101.5","","101.5","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C156 H202 Cl2 Co6 Fe6 N20 O44 -","- C156 H202 Cl2 Co6 Fe6 N20 O44 -","- C312 H404 Cl4 Co12 Fe12 N40 O88 -","2","0.5","","Chygorin, Eduard N.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.; Titiš, Ján; Boča, Roman; Nesterov, Dmytro S.","Direct synthesis of a {CoFe} dodecanuclear complex, revealing an unprecedented molecular structure type.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10918","10922","10.1039/c5dt01149c","","","0.71073","MoKα","","0.1085","0.0576","","","0.1141","0.1283","","","","","","0.907","","","","has coordinates","143602","2020-10-21","18:00:00",""
"7035218","12.3828","0.0004","13.9794","0.0005","21.2486","0.0008","105.37","0.003","93.751","0.003","105.82","0.003","3374.5","0.2","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H32 Cl10 Fe2 N24 O S4 -","- C49 H32 Cl10 Fe2 N24 O S4 -","- C98 H64 Cl20 Fe4 N48 O2 S8 -","2","1","","Cheng, Xin; Yang, Qian; Gao, Chen; Wang, Bing-Wu; Shiga, Takuya; Oshio, Hiroki; Wang, Zhe-Ming; Gao, Song","Thermal and light induced spin crossover behavior of a dinuclear Fe(ii) compound.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11282","11285","10.1039/c5dt01755f","","","0.71073","MoKα","","0.0679","0.0508","","","0.1318","0.1439","","","","","","1.027","","","","has coordinates","143553","2020-10-21","18:00:00",""
"7035219","12.2288","0.0003","13.7545","0.0004","21.2048","0.0006","105.68","0.003","94.481","0.002","105.261","0.002","3269.79","0.17","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H32 Cl10 Fe2 N24 O S4 -","- C49 H32 Cl10 Fe2 N24 O S4 -","- C98 H64 Cl20 Fe4 N48 O2 S8 -","2","1","","Cheng, Xin; Yang, Qian; Gao, Chen; Wang, Bing-Wu; Shiga, Takuya; Oshio, Hiroki; Wang, Zhe-Ming; Gao, Song","Thermal and light induced spin crossover behavior of a dinuclear Fe(ii) compound.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11282","11285","10.1039/c5dt01755f","","","0.71073","MoKα","","0.0664","0.0514","","","0.1306","0.1421","","","","","","1.023","","","","has coordinates","143553","2020-10-21","18:00:00",""
"7035220","20.6145","0.0012","25.4599","0.0015","30.7077","0.0018","84.672","0.001","77.411","0.001","81.87","0.001","15539","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Ce10 H200 Na18 O404 Te8 W88 -","- Ce10 Na2 O354 Te8 W88 -","- Ce10 Na2 O354 Te8 W88 -","1","0.5","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of a large cerium(iii)-containing tungstotellurites(iv) nanocluster: [Ce10Te8W88O298(OH)12(H2O)40](18.).","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11290","11293","10.1039/c5dt01711d","","","0.71073","MoKα","","0.1346","0.0605","","","0.1422","0.1525","","","","","","0.963","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035221","9.4514","0.0002","16.7427","0.0004","6.1969","0.0002","90","","101.455","0.001","90","","961.08","0.04","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Co2 N4 O13 -","- C12 H6 Co2 N4 O13 -","- C24 H12 Co4 N8 O26 -","2","0.25","","Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel","Towards a better understanding of honeycomb alternating magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11040","11051","10.1039/c5dt00553a","","","0.71073","MoKα","","0.0456","0.0355","","","0.0935","0.1004","","","","","","1.076","","","","has coordinates","143586","2020-10-21","18:00:00",""
"7035222","9.5335","0.001","16.614","0.002","6.1915","0.0006","90","","101.659","0.003","90","","960.44","0.18","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 N4 O13 Zn2 -","- C12 H6 N4 O13 Zn2 -","- C24 H12 N8 O26 Zn4 -","2","0.25","","Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel","Towards a better understanding of honeycomb alternating magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11040","11051","10.1039/c5dt00553a","","","0.71073","MoKα","","0.0357","0.0307","","","0.0829","0.086","","","","","","1.096","","","","has coordinates","143586","2020-10-21","18:00:00",""
"7035223","19.038","0.002","8.8357","0.0008","15.2941","0.0014","90","","128.246","0.006","90","","2020.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N8 Ni O6 -","- C18 H16 N8 Ni O6 -","- C72 H64 N32 Ni4 O24 -","4","0.5","","Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel","Towards a better understanding of honeycomb alternating magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11040","11051","10.1039/c5dt00553a","","","0.71073","MoKα","","0.0298","0.0259","","","0.0724","0.0745","","","","","","1.061","","","","has coordinates","143586","2020-10-21","18:00:00",""
"7035224","11.4201","0.0003","11.4201","0.0003","41.5158","0.0016","90","","90","","120","","4689","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C58 H56 Co3 N8 O20 -","- C58 H44 Co3 N8 O20 -","- C174 H132 Co9 N24 O60 -","3","0.5","","Xu, Zhong-Xuan; Kang, Yao; Han, Min-Le; Li, Dong-Sheng; Zhang, Jian","Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the synthesis of homochiral metal-organic frameworks with helices.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11052","11056","10.1039/c5dt01151e","","","0.71073","MoKα","","0.0593","0.0541","","","0.1454","0.1488","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035225","11.3994","0.0003","11.3994","0.0003","41.5243","0.0012","90","","90","","120","","4673","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C58 H56 Co3 N8 O20 -","- C58 H44 Co3 N8 O20 -","- C174 H132 Co9 N24 O60 -","3","0.5","","Xu, Zhong-Xuan; Kang, Yao; Han, Min-Le; Li, Dong-Sheng; Zhang, Jian","Integration of a semi-rigid proline ligand and 4,4'-bipyridine in the synthesis of homochiral metal-organic frameworks with helices.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11052","11056","10.1039/c5dt01151e","","","0.71073","MoKα","","0.0666","0.0623","","","0.174","0.179","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035226","8.2128","0.0018","8.2128","0.0018","20.989","0.007","90","","90","","90","","1415.7","0.6","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C6 H16 N2 O6 P2 Pb -","- C6 H16 N2 O6 P2 Pb -","- C24 H64 N8 O24 P8 Pb4 -","4","0.5","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0294","0.0255","","","0.0554","0.0562","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035227","10.182","0.004","10.863","0.003","14.771","0.005","90","","91.614","0.005","90","","1633.1","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O6 P2 Pb -","- C10 H16 N2 O6 P2 Pb -","- C40 H64 N8 O24 P8 Pb4 -","4","1","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.052","0.0425","","","0.1012","0.104","","","","","","0.962","","","","has coordinates","143539","2020-10-21","18:00:00",""
"7035228","6.6164","0.0017","10.637","0.003","12.354","0.003","93.58","0.006","93.952","0.003","100.854","0.006","849.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H20 F6 O2 P2 Pb Si -","- C10 H20 F6 O2 P2 Pb Si -","- C20 H40 F12 O4 P4 Pb2 Si2 -","2","1","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0276","0.0261","","","0.0643","0.0646","","","","","","0.996","","","","has coordinates","143539","2020-10-21","18:00:00",""
"7035229","8.404","0.002","10.352","0.003","15.994","0.005","87.522","0.007","89.782","0.006","86.063","0.007","1386.9","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H37 F6 N3 O3 P2 Pb Si -","- C19 H37 F6 N3 O3 P2 Pb Si -","- C38 H74 F12 N6 O6 P4 Pb2 Si2 -","2","1","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0477","0.0425","","","0.0869","0.088","","","","","","0.887","","","","has coordinates","143539","2020-10-21","18:00:00",""
"7035230","15.1483","0.0005","13.89","0.0004","16.2854","0.0005","90","","112.383","0.003","90","","3168.45","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 N2 O10 P4 Pb -","- C20 H48 N2 O10 P4 Pb -","- C80 H192 N8 O40 P16 Pb4 -","4","1","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0446","0.031","","","0.0674","0.073","","","","","","1.016","","","","has coordinates","143539","2020-10-21","18:00:00",""
"7035231","16.938","0.006","24.212","0.009","25.686","0.01","90","","90","","90","","10534","7","100","2","100","2","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C12.5 H33.5 B2 F8 N0.5 O3 P4 Pb -","- C12.5 H32 B2 F8 N0.5 O3 P4 Pb -","- C200 H512 B32 F128 N8 O48 P64 Pb16 -","16","","","Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian","Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11533","11541","10.1039/c5dt01448d","","","0.71073","MoKα","","0.0613","0.0527","","","0.1033","0.1075","","","","","","1.146","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035232","7.9054","0.0002","11.2407","0.0003","15.0283","0.0004","90","","103.395","0.001","90","","1299.12","0.06","173","1","173","1","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","mrk87","","","- C13 H10 Au F5 N2 -","- C13 H10 Au F5 N2 -","- C52 H40 Au4 F20 N8 -","4","1","","López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena; Rodríguez-Castillo, María; Sampedro, Diego","The effect of gold(i) coordination on the dual fluorescence of 4-(dimethylamino)pyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11029","11039","10.1039/c5dt00584a","","x-ray","0.71073","MoKα","","0.044","0.0288","","","0.0623","0.0666","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035233","8.3077","0.0006","11.9099","0.0009","15.391","0.001","90","","105.228","0.004","90","","1469.38","0.18","120","1","120","1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","JS7 (CH2Cl2/hexn)","","","- C13 H10 Au Cl2 F3 N2 -","- C13 H10 Au Cl2 F3 N2 -","- C52 H40 Au4 Cl8 F12 N8 -","4","1","","López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena; Rodríguez-Castillo, María; Sampedro, Diego","The effect of gold(i) coordination on the dual fluorescence of 4-(dimethylamino)pyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","11029","11039","10.1039/c5dt00584a","","x-ray","0.71073","MoKα","","0.0689","0.0388","","","0.0853","0.097","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035234","14.188","0.002","14.372","0.002","24.466","0.005","103.998","0.005","95.315","0.005","112.577","0.003","4372.9","1.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H86 N4 O2 Zn -","- C105 H86 N4 O2 Zn -","- C210 H172 N8 O4 Zn2 -","2","1","","Huang, Miao; Pan, Chen; Ma, Haiyan","Ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate catalyzed by magnesium and zinc complexes derived from binaphthyl-based iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12420","12431","10.1039/c5dt00158g","","","0.71073","MoKα","","0.1262","0.0724","","","0.1861","0.2214","","","","","","0.977","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035235","9.1425","0.0008","14.6284","0.0012","18.6227","0.0016","83.526","0.002","88.281","0.002","87.762","0.002","2472","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H61 N3 O Si2 Zn -","- C53 H61 N3 O Si2 Zn -","- C106 H122 N6 O2 Si4 Zn2 -","2","1","","Huang, Miao; Pan, Chen; Ma, Haiyan","Ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate catalyzed by magnesium and zinc complexes derived from binaphthyl-based iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12420","12431","10.1039/c5dt00158g","","","0.71073","MoKα","","0.0791","0.053","","","0.1352","0.1534","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035236","13.584","0.009","14.016","0.009","26.244","0.019","90","","99.684","0.012","90","","4925","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 Mg N3 O Si2 -","- C53 H61 Mg N3 O Si2 -","- C212 H244 Mg4 N12 O4 Si8 -","4","1","","Huang, Miao; Pan, Chen; Ma, Haiyan","Ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate catalyzed by magnesium and zinc complexes derived from binaphthyl-based iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12420","12431","10.1039/c5dt00158g","","","0.71073","MoKα","","0.3055","0.0774","","","0.1136","0.1785","","","","","","0.826","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035237","12.6474","0.0002","20.407","0.0003","15.6269","0.0002","90","","113.055","0.001","90","","3711.1","0.1","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Hf P4 S6 -","- C38 H28 Hf P4 S6 -","- C152 H112 Hf4 P16 S24 -","4","1","","Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12633","12639","10.1039/c5dt01212k","","","0.71073","MoKα","","0.0238","0.021","","","0.0485","0.0497","","","","","","1.131","","","","has coordinates","143678","2020-10-21","18:00:00",""
"7035238","12.6708","0.0013","20.4641","0.0017","15.6111","0.0015","90","","112.891","0.006","90","","3729.1","0.6","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 P4 S6 Zr -","- C38 H28 P4 S6 Zr -","- C152 H112 P16 S24 Zr4 -","4","1","","Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12633","12639","10.1039/c5dt01212k","","","0.71073","MoKα","","0.1904","0.0663","","","0.0953","0.1281","","","","","","0.938","","","","has coordinates","143678","2020-10-21","18:00:00",""
"7035239","10.2767","0.0004","14.8249","0.0006","16.7593","0.0007","82.255","0.003","85.97","0.002","86.652","0.002","2520.66","0.18","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H49 Hf N P4 S5 -","- C53 H49 Hf N P4 S5 -","- C106 H98 Hf2 N2 P8 S10 -","2","1","","Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12633","12639","10.1039/c5dt01212k","","","0.71073","MoKα","","0.1054","0.0587","","","0.1029","0.12","","","","","","1.027","","","","has coordinates,has disorder","143678","2020-10-21","18:00:00",""
"7035240","10.2451","0.0002","14.8428","0.0003","16.7675","0.0003","82.314","0.001","86.189","0.001","86.69","0.001","2518.19","0.08","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H49 N P4 S5 Zr -","- C53 H49 N P4 S5 Zr -","- C106 H98 N2 P8 S10 Zr2 -","2","1","","Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12633","12639","10.1039/c5dt01212k","","","0.71073","MoKα","","0.0644","0.043","","","0.0943","0.1044","","","","","","1.014","","","","has coordinates,has disorder","143678","2020-10-21","18:00:00",""
"7035241","11.9643","0.0005","12.835","0.0006","14.6553","0.0005","90","","90.804","0.002","90","","2250.27","0.16","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl4 P4 S6 Sn -","- C40 H32 Cl4 P4 S6 Sn -","- C80 H64 Cl8 P8 S12 Sn2 -","2","0.5","","Yang, Ya-Xiu; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai","Instability of metal 1,3-benzodi(thiophosphinoyl)methandiide complexes: formation of hafnium, tin and zirconium complexes of 1,3-benzodi(thiophosphinoyl)thioketone dianionic ligand [1,3-C6H4(PhPS)2CS](2.).","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12633","12639","10.1039/c5dt01212k","","","0.71073","MoKα","","0.0363","0.029","","","0.0659","0.0698","","","","","","1.037","","","","has coordinates,has disorder","143678","2020-10-21","18:00:00",""
"7035242","18.3431","0.0006","19.4475","0.0006","15.0835","0.0005","90","","95.556","0.002","90","","5355.4","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni(phen)2]2Sn2S6*4,4'-bipy*1/2H2O","{[Ni(C12H8N2)2]2Sn2S6*C10H8N2*1/2H2O","","- C58 H42 N10 Ni2 O S6 Sn2 -","- C58 H42 N10 Ni2 O S6 Sn2 -","- C232 H168 N40 Ni8 O4 S24 Sn8 -","4","0.5","","Hilbert, J.; Näther, C; Bensch, W.","Utilization of mixtures of aromatic N-donor ligands of different coordination ability for the solvothermal synthesis of thiostannate containing molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11542","11550","10.1039/c5dt01145k","","","0.71073","MoKα","","0.0641","0.0466","","","0.1038","0.1113","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035243","10.5715","0.0002","9.9086","0.0002","24.996","0.0004","90","","92.8","0.001","90","","2615.17","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(phen)2]2Sn2S6*2.2'-bipy","{[Ni(C12H8N2)2]2Sn2S6*C10H8N2","","- C58 H40 N10 Ni2 S6 Sn2 -","- C58 H40 N10 Ni2 S6 Sn2 -","- C116 H80 N20 Ni4 S12 Sn4 -","2","0.5","","Hilbert, J.; Näther, C; Bensch, W.","Utilization of mixtures of aromatic N-donor ligands of different coordination ability for the solvothermal synthesis of thiostannate containing molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11542","11550","10.1039/c5dt01145k","","","0.71073","MoKα","","0.052","0.048","","","0.1274","0.1307","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035244","9.781","0.002","10.651","0.002","20.744","0.004","101.66","0.03","90.36","0.03","114.08","0.03","1922.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2,4-di-tert-butyl-6-((2-hydroxyphenylimino)methyl)phenol","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","2","","Liang, Chunshuang; Bu, Wenhuan; Li, Chenglong; Men, Guangwen; Deng, Mengyu; Jiangyao, Yukun; Sun, Hongchen; Jiang, Shimei","A highly selective fluorescent sensor for Al(3+) and the use of the resulting complex as a secondary sensor for PPi in aqueous media: its applicability in live cell imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11352","11359","10.1039/c5dt00689a","","","0.71073","MoKα","","0.2117","0.0605","","","0.0925","0.1188","","","","","","0.981","","","","has coordinates","143533","2020-10-21","18:00:00",""
"7035245","14.873","0.004","31.05","0.008","17.737","0.004","90","","90.749","0.005","90","","8190","4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 K4 N12 O14 S4 -","- C84 H72 K4 N12 O14 S4 -","- C336 H288 K16 N48 O56 S16 -","4","1","","Utochnikova, V. V.; Kovalenko, A. D.; Burlov, A. S.; Marciniak, L.; Ananyev, I. V.; Kalyakina, A. S.; Kurchavov, N. A.; Kuzmina, N. P.","Lanthanide complexes with 2-(tosylamino)benzylidene-N-benzoylhydrazone, which exhibit high NIR emission.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12660","12669","10.1039/c5dt01161b","","","0.71073","MoKα","","0.1584","0.0765","","","0.1771","0.2236","","","","","","0.987","","","","has coordinates","143686","2020-10-21","18:00:00",""
"7035246","9.5574","0.0001","12.6056","0.0002","18.9892","0.0003","106.131","0.001","98.971","0.001","100.479","0.001","2108.78","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl La N5 O14 -","- C30 H27 Cl La N5 O14 -","- C60 H54 Cl2 La2 N10 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","0.71073","MoKα","","0.067","0.0596","","","0.1769","0.1841","","","","","","1.083","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035247","9.5251","0.0003","12.5605","0.0004","18.9231","0.0006","106.077","0.003","98.874","0.003","100.643","0.003","2086.81","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Ce Cl N5 O14 -","- C30 H27 Ce Cl N5 O14 -","- C60 H54 Ce2 Cl2 N10 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.0608","0.0582","","","0.1652","0.1698","","","","","","1.074","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035248","9.53","0.0003","12.5401","0.0004","18.8719","0.0006","105.932","0.003","98.86","0.002","100.482","0.002","2082.3","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N5 O14 Pr -","- C30 H27 Cl N5 O14 Pr -","- C60 H54 Cl2 N10 O28 Pr2 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.0596","0.0559","","","0.1593","0.1637","","","","","","1.083","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035249","9.5297","0.0001","12.6996","0.0003","18.8203","0.0003","106.347","0.002","98.63","0.001","100.059","0.002","2103.64","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N5 Nd O14 -","- C30 H27 Cl N5 Nd O14 -","- C60 H54 Cl2 N10 Nd2 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","0.71073","MoKα","","0.0686","0.0634","","","0.1799","0.1857","","","","","","1.093","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035250","9.4977","0.0003","12.627","0.0004","18.7072","0.0004","106.096","0.002","98.452","0.002","100.275","0.002","2074.7","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl Eu N5 O14 -","- C30 H27 Cl Eu N5 O14 -","- C60 H54 Cl2 Eu2 N10 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.0864","0.0847","","","0.2217","0.227","","","","","","1.029","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035251","9.5307","0.0001","12.7016","0.0003","18.8199","0.0003","106.349","0.002","98.629","0.001","100.06","0.002","2104.13","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N5 O14 Tb -","- C30 H27 Cl N5 O14 Tb -","- C60 H54 Cl2 N10 O28 Tb2 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","0.71073","MoKα","","0.0675","0.0622","","","0.1771","0.1828","","","","","","1.091","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035252","9.4727","0.0002","12.652","0.0004","18.6017","0.0006","106.106","0.003","98.088","0.002","100.255","0.002","2064.63","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl Dy N5 O14 -","- C30 H27 Cl Dy N5 O14 -","- C60 H54 Cl2 Dy2 N10 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.0731","0.0714","","","0.193","0.1965","","","","","","1.062","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035253","9.4644","0.0002","12.7206","0.0003","18.5539","0.0005","106.206","0.002","97.893","0.002","100.266","0.002","2068.88","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl Ho N5 O14 -","- C30 H27 Cl Ho N5 O14 -","- C60 H54 Cl2 Ho2 N10 O28 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.0794","0.0783","","","0.2181","0.2197","","","","","","1.055","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035254","9.4951","0.0003","12.5595","0.0004","18.9191","0.0006","106.107","0.003","98.869","0.002","100.65","0.003","2079.23","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N5 O14 Yb -","- C30 H27 Cl N5 O14 Yb -","- C60 H54 Cl2 N10 O28 Yb2 -","2","1","","Bag, Partha Pratim; Wang, Xu-Sheng; Cao, Rong","Microwave-assisted large scale synthesis of lanthanide metal-organic frameworks (Ln-MOFs), having a preferred conformation and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11954","11962","10.1039/c5dt01598g","","","1.54184","CuKα","","0.066","0.0632","","","0.1816","0.1842","","","","","","1.064","","","","has coordinates","143498","2020-10-21","18:00:00",""
"7035255","12.7337","0.0003","11.5202","0.0003","9.2042","0.0002","90","","100.339","0.0011","90","","1328.28","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","2","","Ghosh, Abhijit; Das, Debasis","X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11797","11804","10.1039/c5dt01303h","","","0.71073","MoKα","","0.0467","0.0381","","","0.0916","0.1024","","","","","","1.042","","","","has coordinates","143508","2020-10-21","18:00:00",""
"7035256","20.9597","0.001","5.8865","0.0003","21.8889","0.001","90","","104.264","0.005","90","","2617.4","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H30 N4 O2 Zn -","- C30 H30 N4 O2 Zn -","- C120 H120 N16 O8 Zn4 -","4","1","","Ghosh, Abhijit; Das, Debasis","X-ray structurally characterized sensors for ratiometric detection of Zn(2+) and Al(3+) in human breast cancer cells (MCF7): development of a binary logic gate as a molecular switch.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11797","11804","10.1039/c5dt01303h","","","0.71073","MoKα","","0.0702","0.042","","","0.0847","0.0949","","","","","","1.027","","","","has coordinates","143508","2020-10-21","18:00:00",""
"7035257","21.108","0.007","14.946","0.005","19.243","0.006","90","","130.425","0.004","90","","4621","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H60 Al2 N2 O4 -","- C55 H60 Al2 N2 O4 -","- C220 H240 Al8 N8 O16 -","4","0.5","","Kireenko, Marina M.; Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Churakov, Andrei V.; Lermontova, Elmira Kh; Zaitseva, Galina S.; Karlov, Sergey S.","Aluminum complexes based on pyridine substituted alcohols: synthesis, structure, and catalytic application in ROP.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11963","11976","10.1039/c5dt01001b","","","0.71073","MoKα","","0.0972","0.0474","","","0.0915","0.1028","","","","","","0.968","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035258","5.8707","0.0013","9.289","0.002","11.82","0.003","103.04","0.003","92.48","0.003","99.805","0.003","616.5","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C34 H31 N O2 -","1","1","","Kireenko, Marina M.; Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Churakov, Andrei V.; Lermontova, Elmira Kh; Zaitseva, Galina S.; Karlov, Sergey S.","Aluminum complexes based on pyridine substituted alcohols: synthesis, structure, and catalytic application in ROP.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11963","11976","10.1039/c5dt01001b","","","0.71073","MoKα","","0.0759","0.0483","","","0.0962","0.1068","","","","","","1.051","","","","has coordinates","143510","2020-10-21","18:00:00",""
"7035259","10.4452","0.0019","18.143","0.003","18.099","0.003","90","","97.931","0.003","90","","3397.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Al2 N2 O6 -","- C84 H80 Al2 N2 O6 -","- C168 H160 Al4 N4 O12 -","2","0.5","","Kireenko, Marina M.; Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Churakov, Andrei V.; Lermontova, Elmira Kh; Zaitseva, Galina S.; Karlov, Sergey S.","Aluminum complexes based on pyridine substituted alcohols: synthesis, structure, and catalytic application in ROP.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11963","11976","10.1039/c5dt01001b","","","0.71073","MoKα","","0.1266","0.0817","","","0.2206","0.2494","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035260","13.2405","0.0006","13.2544","0.0006","16.8269","0.0008","98.855","0.004","106.372","0.004","95.552","0.004","2768.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 Al Cl6 N2 O4 -","- C64 H49 Al Cl6 N2 O4 -","- C128 H98 Al2 Cl12 N4 O8 -","2","1","","Kireenko, Marina M.; Kuchuk, Ekaterina A.; Zaitsev, Kirill V.; Tafeenko, Viktor A.; Oprunenko, Yuri F.; Churakov, Andrei V.; Lermontova, Elmira Kh; Zaitseva, Galina S.; Karlov, Sergey S.","Aluminum complexes based on pyridine substituted alcohols: synthesis, structure, and catalytic application in ROP.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11963","11976","10.1039/c5dt01001b","","","1.54186","CuKα","","0.1927","0.0901","","","0.2187","0.2522","","","","","","0.992","","","","has coordinates,has disorder","143510","2020-10-21","18:00:00",""
"7035261","23.2646","0.0019","31.545","0.002","23.7317","0.0007","90","","102.528","0.005","90","","17001.6","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C111.5 H140.5 Cu5 Mn5 N10 O48.75 S10.75 -","- C111.48 H140.44 Cu5 Mn5 N10 O48.74 S10.74 -","- C445.92 H561.76 Cu20 Mn20 N40 O194.96 S42.96 -","4","1","","do Pim, Walace D.; de Faria, Érica N; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Nunes, Wallace C.; Cano, Joan; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","A heterobimetallic [MnCu] nanowheel modulated by a flexible bis-oxamate type ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","24","10939","10942","10.1039/c5dt00996k","","","1.5418","CuKα","","0.1659","0.1107","","","0.2962","0.3482","","","","","","1.174","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035262","13.3224","0.0009","17.207","0.0013","20.8871","0.0017","90","","101.168","0.003","90","","4697.5","0.6","115","","115","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H25 Au Cl F6 N4 O0.5 P2 -","- C19.5 H25 Au Cl F6 N4 O0.5 P2 -","- C156 H200 Au8 Cl8 F48 N32 O4 P16 -","8","2","","Bertrand, B.; Spreckelmeyer, S.; Bodio, E.; Cocco, F.; Picquet, M.; Richard, P.; Le Gendre, P.; Orvig, C.; Cinellu, M. A.; Casini, A.","Exploring the potential of gold(iii) cyclometallated compounds as cytotoxic agents: variations on the C^N theme.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11911","11918","10.1039/c5dt01023c","","x-ray","0.71073","MoKα","","0.0181","0.0155","","","0.0351","0.0358","","","","","","1.052","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7035263","7.4253","0.0015","8.5276","0.0017","10.395","0.002","82.75","0.03","83.46","0.03","79.86","0.03","639.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Mn3 N2 O20 -","- C18 H24 Mn3 N2 O20 -","- C18 H24 Mn3 N2 O20 -","1","0.5","","Shao, Zhichao; Huang, Chao; Han, Xiao; Wang, Huarui; Li, Angran; Han, Yanbing; Li, Kai; Hou, Hongwei; Fan, Yaoting","The effect of metal ions on photocatalytic performance based on an isostructural framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12832","12838","10.1039/c5dt01457c","","","0.71073","MoKα","","0.0408","0.0355","","","0.0794","0.0828","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035264","7.4098","0.0015","8.4255","0.0017","10.209","0.002","82.46","0.03","83.41","0.03","79.14","0.03","617.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Co3 N2 O20 -","- C18 H24 Co3 N2 O20 -","- C18 H24 Co3 N2 O20 -","1","0.5","","Shao, Zhichao; Huang, Chao; Han, Xiao; Wang, Huarui; Li, Angran; Han, Yanbing; Li, Kai; Hou, Hongwei; Fan, Yaoting","The effect of metal ions on photocatalytic performance based on an isostructural framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12832","12838","10.1039/c5dt01457c","","","0.71073","MoKα","","0.0385","0.0349","","","0.0807","0.0831","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035265","48.92","0.003","10.128","0.001","34.906","0.002","90","","116.38","0.01","90","","15494","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C73 H70 Cu2 F2 I2 N8 O4 P2 -","- C73 H70 Cu2 F2 I2 N8 O4 P2 -","- C584 H560 Cu16 F16 I16 N64 O32 P16 -","8","1","","Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata","Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12688","12699","10.1039/c5dt01146a","","","0.71073","MoKα","","0.275","0.0981","","","0.1825","0.2562","","","","","","0.959","","","","has coordinates","143690","2020-10-21","18:00:00",""
"7035266","9.904","0.003","14.416","0.004","34.669","0.008","90","","90","","90","","4950","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Cu I N2 O P -","- C27 H25 Cu I N2 O P -","- C216 H200 Cu8 I8 N16 O8 P8 -","8","1","","Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata","Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12688","12699","10.1039/c5dt01146a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0952","0.0977","","","","","","1.056","","","","has coordinates","143690","2020-10-21","18:00:00",""
"7035267","10.234","0.001","10.495","0.001","14.945","0.002","103.77","0.01","91.56","0.02","118.9","0.02","1345.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Cu I N2 O P -","- C31 H25 Cu I N2 O P -","- C62 H50 Cu2 I2 N4 O2 P2 -","2","1","","Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata","Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12688","12699","10.1039/c5dt01146a","","","0.71073","MoKα","","0.1289","0.0709","","","0.1154","0.1357","","","","","","1.025","","","","has coordinates","143690","2020-10-21","18:00:00",""
"7035268","15.1737","0.0014","23.009","0.002","32.566","0.003","90","","77.005","0.002","90","","11078.6","1.7","296","2","296","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C12 H138 K2 Li16 N2 Na6 O209 Sb10 Tb4 W36 -","- C12 H8 K2 N2 Na6 O173 Sb10 Tb4 W36 -","- C24 H16 K4 N4 Na12 O346 Sb20 Tb8 W72 -","2","0.5","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.0936","0.055","","","0.1266","0.1405","","","","","","0.941","","","","has coordinates,has disorder","143561","2020-10-21","18:00:00",""
"7035269","18.6089","0.0017","24.713","0.002","25.418","0.002","90","","90","","90","","11689.3","1.7","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C12 H72 La2 Li6 N2 Na4 O100 Sb2 W18 -","- C12 H8 La2 N2 Na3.55 O78.5 Sb2 W18 -","- C48 H32 La8 N8 Na14.2 O314 Sb8 W72 -","4","1","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.1009","0.0557","","","0.0843","0.0934","","","","","","0.984","","","","has coordinates,has disorder","143561","2020-10-21","18:00:00",""
"7035270","14.1382","0.0015","20.272","0.002","20.946","0.002","101.76","0.002","107.002","0.002","105.855","0.002","5253.4","0.9","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C12 H134 Dy4 Li15 N2 Na9 O207 Sb10 W36 -","- C12 H8 Dy4 N2 Na9 O168 Sb10 W36 -","- C12 H8 Dy4 N2 Na9 O168 Sb10 W36 -","1","0.5","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.0807","0.0653","","","0.1658","0.1735","","","","","","1.056","","","","has coordinates","143561","2020-10-21","18:00:00",""
"7035271","18.333","0.004","24.5","0.005","25.269","0.005","90","","90","","90","","11350","4","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C12 H50 Li7 N2 Na3 O89 Pr2 Sb2 W18 -","- C12 H8 N2 Na2.5 O72 Pr2 Sb2 W18 -","- C48 H32 N8 Na10 O288 Pr8 Sb8 W72 -","4","1","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.164","0.0823","","","0.1297","0.1538","","","","","","0.903","","","","has coordinates,has disorder","143561","2020-10-21","18:00:00",""
"7035272","14.509","0.0015","20.299","0.002","21.776","0.002","72.271","0.002","70.725","0.002","74.329","0.002","5662.9","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C12 H118 Ho4 Li17 N2 Na7 O199 Sb10 W36 -","- C12 H8 Ho4 N2 Na7 O173.5 Sb10 W36 -","- C12 H8 Ho4 N2 Na7 O173.5 Sb10 W36 -","1","0.5","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.0933","0.0605","","","0.1485","0.1588","","","","","","1.05","","","","has coordinates","143561","2020-10-21","18:00:00",""
"7035273","6.8568","0.0002","9.3906","0.0002","10.7307","0.0003","90","","90","","90","","690.94","0.03","150","","150","","","","","","","","synthesised","5","P n a 21","P 2c -2n","33","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C12 H28 Mn4 N4 O24 -","4","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.71073","MoKα","","0.0327","0.0275","","0.0641","0.0617","0.0641","","","","","","0.9596","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035274","12.65088","0.00013","12.65088","0.00013","8.54951","0.00009","90","","90","","120","","1184.99","0.02","30","","30","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Mn N O6 -","- C3 H7 Mn N O6 -","- C18 H42 Mn6 N6 O36 -","6","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.6889","Synchrotron","","0.0388","0.0351","","0.0744","0.0702","0.0744","","","","","","0.9457","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035275","12.5965","0.0002","12.5965","0.0001","8.2395","0.0001","90","","90","","120","","1132.22","0.02","30","","30","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 Co N O6 -","- C3 H7 Co N O6 -","- C18 H42 Co6 N6 O36 -","6","1","","Lawler, James M. M.; Manuel, Pascal; Thompson, Amber L.; Saines, Paul J.","Probing ferroic transitions in a multiferroic framework family: a neutron diffraction study of the ammonium transition metal formates.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11613","11620","10.1039/c5dt00733j","","","0.6889","Synchrotron","","0.0432","0.0317","","0.0737","0.0594","0.0734","","","","","","0.9563","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035276","14.3298","0.0015","8.144","0.0008","16.8072","0.0017","90","","104.209","0.001","90","","1901.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CES","","- C22 H22 O6 S -","- C22 H22 O6 S -","- C88 H88 O24 S4 -","4","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0654","0.0423","","","0.098","0.1097","","","","","","1.031","","","","has coordinates,has disorder","143470","2020-10-21","18:00:00",""
"7035277","8.0605","0.0006","12.1558","0.001","13.1591","0.001","80.09","0.001","82.681","0.001","85.459","0.001","1257.6","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CES.PB","","","- C22 H22 Cl2 O14 Pb S -","- C22 H22 Cl2 O14 Pb S -","- C44 H44 Cl4 O28 Pb2 S2 -","2","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0162","0.0158","","","0.0398","0.0401","","","","","","1.067","","","","has coordinates","143470","2020-10-21","18:00:00",""
"7035278","7.4979","0.0008","16.0574","0.0017","16.3759","0.0017","90","","100.573","0.001","90","","1938.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CESe","","","- C22 H22 O6 Se -","- C22 H22 O6 Se -","- C88 H88 O24 Se4 -","4","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0671","0.0395","","","0.0886","0.1013","","","","","","1.061","","","","has coordinates,has disorder","143470","2020-10-21","18:00:00",""
"7035279","14.6414","0.0008","8.0187","0.0004","16.9048","0.0009","90","","104.185","0.001","90","","1924.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CE-Se","CE-Se","","- C22 H24 O5 Se -","- C22 H24 O5 Se -","- C88 H96 O20 Se4 -","4","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0297","0.0237","","","0.0566","0.0594","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035280","12.3365","0.0008","11.5354","0.0008","14.4592","0.0009","90","","99.24","0.001","90","","2030.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CESE-anthone","","","- C22 H24 O6 Se -","- C22 H24 O6 Se -","- C88 H96 O24 Se4 -","4","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0293","0.0242","","","0.0618","0.0647","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035281","8.0759","0.0006","12.2739","0.0009","13.1224","0.0009","80.099","0.001","82.559","0.001","85.902","0.001","1268.95","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CESe+Pb complex","","","- C22 H22 Cl2 O14 Pb Se -","- C22 H22 Cl2 O14 Pb Se -","- C44 H44 Cl4 O28 Pb2 Se2 -","2","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Hoffman, Mariah; Rama, Myriam Alcantar; Balasubramanian, Vinothini; John, Danielle M.; Sykes, Andrew G.","Improved selectivity for Pb(ii) by sulfur, selenium and tellurium analogues of 1,8-anthraquinone-18-crown-5: synthesis, spectroscopy, X-ray crystallography and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11774","11787","10.1039/c5dt01305d","","","0.71073","MoKα","","0.0242","0.022","","","0.058","0.0671","","","","","","1.127","","","","has coordinates","143470","2020-10-21","18:00:00",""
"7035282","17.5519","0.0005","28.344","0.0007","21.9816","0.0009","90","","103.863","0.002","90","","10617.1","0.6","123","","123","","","","","","","","see text","8","I 1 2/a 1","-I 2ya","15","","","","- C104 H104 Ag2 Br2 N8 O4 P4 Ru2 -","- C104 H104 Ag2 Br2 N8 O4 P4 Ru2 -","- C416 H416 Ag8 Br8 N32 O16 P16 Ru8 -","4","0.5","","Bitzer, Mario J.; Pöthig, Alexander; Jandl, Christian; Kühn, Fritz E; Baratta, Walter","Ru-Ag and Ru-Au dicarbene complexes from an abnormal carbene ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11686","11689","10.1039/c5dt01914a","","x-ray","0.71073","MoKα","","0.0595","0.0554","","","0.1752","0.1808","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035283","16.5689","0.0008","16.4932","0.0009","19.4827","0.001","90","","109.963","0.003","90","","5004.2","0.5","123","","123","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Au Cl N4 O2 P2 Ru -","- C52 H52 Au Cl N4 O2 P2 Ru -","- C208 H208 Au4 Cl4 N16 O8 P8 Ru4 -","4","1","","Bitzer, Mario J.; Pöthig, Alexander; Jandl, Christian; Kühn, Fritz E; Baratta, Walter","Ru-Ag and Ru-Au dicarbene complexes from an abnormal carbene ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11686","11689","10.1039/c5dt01914a","","x-ray","0.71073","MoKα","","0.0541","0.0325","","","0.0707","0.0775","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035284","9.0855","0.001","18.021","0.002","14.2701","0.0015","90","","106.531","0.002","90","","2239.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Eu N O12 -","- C21 H14 Eu N O12 -","- C84 H56 Eu4 N4 O48 -","4","1","","Liang, Yu-Tong; Yang, Guo-Ping; Liu, Bo; Yan, Yang-Tian; Xi, Zheng-Ping; Wang, Yao-Yu","Four super water-stable lanthanide-organic frameworks with active uncoordinated carboxylic and pyridyl groups for selective luminescence sensing of Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13325","13330","10.1039/c5dt01421b","","","0.71073","MoKα","","0.0509","0.0373","","","0.1143","0.1544","","","","","","1.172","","","","has coordinates","153207","2020-10-21","18:00:00",""
"7035285","9.125","0.003","17.97","0.006","14.297","0.005","90","","106.386","0.005","90","","2249.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N Nd O12 -","- C21 H14 N Nd O12 -","- C84 H56 N4 Nd4 O48 -","4","1","","Liang, Yu-Tong; Yang, Guo-Ping; Liu, Bo; Yan, Yang-Tian; Xi, Zheng-Ping; Wang, Yao-Yu","Four super water-stable lanthanide-organic frameworks with active uncoordinated carboxylic and pyridyl groups for selective luminescence sensing of Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13325","13330","10.1039/c5dt01421b","","","0.71073","MoKα","","0.0504","0.0363","","","0.1253","0.1832","","","","","","1.16","","","","has coordinates","153207","2020-10-21","18:00:00",""
"7035286","9.083","0.003","17.974","0.005","14.258","0.004","90","","106.256","0.004","90","","2234.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N O12 Sm -","- C21 H14 N O12 Sm -","- C84 H56 N4 O48 Sm4 -","4","1","","Liang, Yu-Tong; Yang, Guo-Ping; Liu, Bo; Yan, Yang-Tian; Xi, Zheng-Ping; Wang, Yao-Yu","Four super water-stable lanthanide-organic frameworks with active uncoordinated carboxylic and pyridyl groups for selective luminescence sensing of Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13325","13330","10.1039/c5dt01421b","","","0.71073","MoKα","","0.0811","0.0552","","","0.1675","0.2516","","","","","","1.174","","","","has coordinates","153207","2020-10-21","18:00:00",""
"7035287","9.0138","0.0012","17.945","0.002","14.1406","0.0019","90","","105.705","0.002","90","","2201.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N O12 Tb -","- C21 H14 N O12 Tb -","- C84 H56 N4 O48 Tb4 -","4","1","","Liang, Yu-Tong; Yang, Guo-Ping; Liu, Bo; Yan, Yang-Tian; Xi, Zheng-Ping; Wang, Yao-Yu","Four super water-stable lanthanide-organic frameworks with active uncoordinated carboxylic and pyridyl groups for selective luminescence sensing of Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13325","13330","10.1039/c5dt01421b","","","0.71073","MoKα","","0.0543","0.0392","","","0.1125","0.1393","","","","","","1.069","","","","has coordinates","153207","2020-10-21","18:00:00",""
"7035288","18.3252","0.0003","11.6963","0.0002","26.74","0.0004","90","","97.067","0.001","90","","5687.83","0.16","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H32 Cl2 N2 O2 Zn -","- C32 H32 Cl2 N2 O2 Zn -","- C256 H256 Cl16 N16 O16 Zn8 -","8","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.0365","0.0335","","","0.089","0.0919","","","","","","1.057","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035289","17.49","0.003","11.612","0.0017","17.926","0.003","90","","117.505","0.003","90","","3229.2","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cl4 N2 O2 Zn -","- C33 H34 Cl4 N2 O2 Zn -","- C132 H136 Cl16 N8 O8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0826","0.0761","","","0.1944","0.2013","","","","","","1","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035290","12.451","0.0003","11.7454","0.0003","17.4508","0.0004","90","","95.969","0.002","90","","2538.2","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O4 Zn -","- C28 H24 Cl2 N2 O4 Zn -","- C112 H96 Cl8 N8 O16 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.0365","0.032","","","0.0837","0.0871","","","","","","1.037","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035291","13.84","0.005","11.647","0.004","17.844","0.006","90","","111.446","0.004","90","","2677.2","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl4 N2 O2 Zn -","- C27 H22 Cl4 N2 O2 Zn -","- C108 H88 Cl16 N8 O8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0389","0.0348","","","0.0889","0.0918","","","","","","1.045","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035292","13.036","0.003","11.721","0.0015","17.716","0.002","90","","98.657","0.016","90","","2676.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 S2 Zn -","- C28 H24 Cl2 N2 O2 S2 Zn -","- C112 H96 Cl8 N8 O8 S8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.3689","0.1556","","","0.3454","0.3854","","","","","","1.088","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035293","13.261","0.0002","12.022","0.0001","18.135","0.0002","90","","109.127","0.001","90","","2731.54","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl4 N2 S2 Zn -","- C27 H22 Cl4 N2 S2 Zn -","- C108 H88 Cl16 N8 S8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0718","0.0711","","","0.1747","0.175","","","","","","1.237","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035294","14.0015","0.0009","11.7228","0.0009","17.9471","0.0012","90","","91.996","0.006","90","","2944","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O2 Zn -","- C36 H24 Cl2 N2 O2 Zn -","- C144 H96 Cl8 N8 O8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.2048","0.116","","","0.3155","0.3473","","","","","","1.409","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035295","17.442","0.007","11.79","0.005","31.054","0.015","90","","104.238","0.007","90","","6190","5","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C72.74 H49.48 Cl5.48 N4 O4 Zn2 -","- C72.742 H49.484 Cl5.484 N4 O4 Zn2 -","- C290.968 H197.936 Cl21.936 N16 O16 Zn8 -","4","0.5","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0808","0.073","","","0.1896","0.1962","","","","","","1.202","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035296","9.984","0.003","11.965","0.004","17.609","0.007","90","","101.504","0.005","90","","2061.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cl2 F2 N2 Zn -","- C24 H14 Cl2 F2 N2 Zn -","- C96 H56 Cl8 F8 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0539","0.0506","","","0.0868","0.0881","","","","","","1.245","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035297","14.318","0.0015","11.705","0.0008","17.772","0.0018","90","","112.958","0.004","90","","2742.5","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl4 F4 N4 O3 Zn2 -","- C60 H52 Cl4 F4 N4 O3 Zn2 -","- C120 H104 Cl8 F8 N8 O6 Zn4 -","2","0.5","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0732","0.0518","","","0.1089","0.1248","","","","","","1.07","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035298","13.105","0.0001","11.8423","0.0001","17.5235","0.0002","90","","110.025","0.001","90","","2555.12","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br2 Cl4 N2 Zn -","- C25 H16 Br2 Cl4 N2 Zn -","- C100 H64 Br8 Cl16 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.026","0.025","","","0.0682","0.0691","","","","","","1.086","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035299","8.1932","0.0008","12.0306","0.0016","14.76","0.002","112.425","0.013","91.392","0.009","109.799","0.01","1245.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H14 Cl2 F6 N2 O2 Zn -","- C26 H14 Cl2 F6 N2 O2 Zn -","- C52 H28 Cl4 F12 N4 O4 Zn2 -","2","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.0672","0.048","","","0.0984","0.1062","","","","","","1.051","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035300","11.8689","0.0006","14.1948","0.0011","17.6232","0.0016","107.262","0.007","92.978","0.005","94.504","0.005","2817.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H16 Cl4 F6 N2 O2 Zn -","- C27 H16 Cl4 F6 N2 O2 Zn -","- C108 H64 Cl16 F24 N8 O8 Zn4 -","4","2","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.1073","0.0877","","","0.2289","0.2449","","","","","","1.06","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7035301","11.9861","0.0017","14.427","0.0017","16.0295","0.0014","99.188","0.009","102.008","0.011","114.266","0.013","2376.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H28 Cl4 F12 N4 Zn2 -","- C52 H28 Cl4 F12 N4 Zn2 -","- C104 H56 Cl8 F24 N8 Zn4 -","2","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.1975","0.1127","","","0.2856","0.3387","","","","","","1.082","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035302","13.7395","0.0005","11.9489","0.0003","17.6137","0.0005","90","","111.023","0.004","90","","2699.19","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 Cl4 F6 N2 Zn -","- C27 H16 Cl4 F6 N2 Zn -","- C108 H64 Cl16 F24 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.0458","0.0415","","","0.111","0.116","","","","","","0.98","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035303","18.252","0.006","19.702","0.007","31.519","0.01","82.74","0.04","78.67","0.04","65.87","0.04","10129","7","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C195 H190.5 Gd6 Mn6 N14.5 O57 -","- C195 H190.5 Gd6 Mn6 N14.5 O57 -","- C390 H381 Gd12 Mn12 N29 O114 -","2","1","","Tziotzi, Thomais G.; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Dodecanuclear [MnLn] species: synthesis, structures and characterization of magnetic relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11696","11699","10.1039/c5dt01695a","","","0.71073","MoKα","","0.2324","0.11","","","0.2206","0.2907","","","","","","1.047","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035304","8.4752","0.0011","19.475","0.003","12.1122","0.0016","90","","93.477","0.002","90","","1995.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Mn2 N4 O12 -","- C40 H44 Cl2 Mn2 N4 O12 -","- C80 H88 Cl4 Mn4 N8 O24 -","2","0.5","","Seth, Piya; Giri, Sanjib; Ghosh, Ashutosh","Tuning of exchange coupling by the Mn-O distance and phenoxido bridging angle: an experimental and theoretical study of the family of Mn(iii) dimers with salen type ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12863","12870","10.1039/c5dt01224d","","","0.71073","MoKα","","0.053","0.0362","","","0.1121","0.1284","","","","","","0.854","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035305","8.4538","0.0018","20.424","0.004","11.755","0.003","90","","93.05","0.002","90","","2026.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Mn2 N6 O4 S2 -","- C42 H44 Mn2 N6 O4 S2 -","- C84 H88 Mn4 N12 O8 S4 -","2","0.5","","Seth, Piya; Giri, Sanjib; Ghosh, Ashutosh","Tuning of exchange coupling by the Mn-O distance and phenoxido bridging angle: an experimental and theoretical study of the family of Mn(iii) dimers with salen type ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12863","12870","10.1039/c5dt01224d","","","0.71073","MoKα","","0.0902","0.0536","","","0.1398","0.162","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035306","12.4078","0.0005","12.6281","0.0005","17.3253","0.0007","78.688","0.002","78.296","0.002","63.082","0.002","2353.23","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl Mn2 N9 O8 -","- C46 H50 Cl Mn2 N9 O8 -","- C92 H100 Cl2 Mn4 N18 O16 -","2","1","","Seth, Piya; Giri, Sanjib; Ghosh, Ashutosh","Tuning of exchange coupling by the Mn-O distance and phenoxido bridging angle: an experimental and theoretical study of the family of Mn(iii) dimers with salen type ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12863","12870","10.1039/c5dt01224d","","","0.71073","MoKα","","0.0641","0.0445","","","0.1316","0.1514","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035307","14.1796","0.0005","15.6667","0.0007","21.9922","0.0009","95.044","0.003","107.31","0.003","109.261","0.003","4308.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C130.6 H98.4 Mo4 N48 Ni8 O14.6 -","- C130.6 H71.8 Mo4 N48 Ni8 O14.6 -","- C130.6 H71.8 Mo4 N48 Ni8 O14.6 -","1","0.5","","Nowicka, Beata; Näther, Christian; Halemba, Alexandra; Reczyński, Mateusz; Sieklucka, Barbara","New topology of CN-bridged clusters: dodecanuclear face-sharing defective cubes based on octacyanometallates(iv) and nickel(ii) with diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12780","12787","10.1039/c5dt01789k","","","0.71073","MoKα","","0.0767","0.0591","","","0.1542","0.163","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035308","13.6083","0.0003","20.4045","0.0003","28.7109","0.0005","90","","102.426","0.001","90","","7785.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H130 N48 Ni8 O29 W4 -","- C116 H108 N48 Ni8 O29 W4 -","- C232 H216 N96 Ni16 O58 W8 -","2","0.5","","Nowicka, Beata; Näther, Christian; Halemba, Alexandra; Reczyński, Mateusz; Sieklucka, Barbara","New topology of CN-bridged clusters: dodecanuclear face-sharing defective cubes based on octacyanometallates(iv) and nickel(ii) with diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12780","12787","10.1039/c5dt01789k","","","0.71073","MoKα","","0.0748","0.0499","","","0.106","0.1151","","","","","","1.044","","","","has coordinates,has disorder","143703","2020-10-21","18:00:00",""
"7035309","20.9096","0.0013","25.3329","0.0016","22.68","0.0015","90","","112.74","0.001","90","","11079.8","1.2","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H74 As4 Dy6 K20 Li2 O181 W38 -","- C8 H6 As4 Dy6 K20 Li2 O181 W38 -","- C16 H12 As8 Dy12 K40 Li4 O362 W76 -","2","0.5","","Ma, Pengtao; Wan, Rong; Si, Yanan; Hu, Feng; Wang, Yueyan; Niu, Jingyang; Wang, Jingping","Double-malate bridging tri-lanthanoid cluster encapsulated arsenotungstates: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11514","11523","10.1039/c5dt01323b","","","0.71073","MoKα","","0.1106","0.0546","","","0.1194","0.1448","","","","","","1.009","","","","has coordinates","143578","2020-10-21","18:00:00",""
"7035310","20.924","0.003","25.288","0.004","22.707","0.004","90","","112.785","0.003","90","","11077","3","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H74 As4 K20 Li2 O181 Tb6 W38 -","- C8 H6 As4 K20 Li2 O181 Tb6 W38 -","- C16 H12 As8 K40 Li4 O362 Tb12 W76 -","2","0.5","","Ma, Pengtao; Wan, Rong; Si, Yanan; Hu, Feng; Wang, Yueyan; Niu, Jingyang; Wang, Jingping","Double-malate bridging tri-lanthanoid cluster encapsulated arsenotungstates: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11514","11523","10.1039/c5dt01323b","","","0.71073","MoKα","","0.1146","0.0688","","","0.1686","0.2029","","","","","","1.012","","","","has coordinates","143578","2020-10-21","18:00:00",""
"7035311","21.11","0.004","25.441","0.005","22.866","0.004","90","","112.883","0.004","90","","11314","4","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H74 As4 Gd6 K20 Li2 O181 W38 -","- C8 H6 As4 Gd6 K20 Li2 O181 W38 -","- C16 H12 As8 Gd12 K40 Li4 O362 W76 -","2","0.5","","Ma, Pengtao; Wan, Rong; Si, Yanan; Hu, Feng; Wang, Yueyan; Niu, Jingyang; Wang, Jingping","Double-malate bridging tri-lanthanoid cluster encapsulated arsenotungstates: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11514","11523","10.1039/c5dt01323b","","","0.71073","MoKα","","0.1429","0.0572","","","0.1167","0.149","","","","","","0.971","","","","has coordinates","143578","2020-10-21","18:00:00",""
"7035312","21.063","0.011","25.446","0.014","22.74","0.012","90","","112.625","0.009","90","","11250","10","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H74 As4 Eu6 K20 Li2 O181 W38 -","- C8 H6 As4 Eu6 K20 Li2 O181 W38 -","- C16 H12 As8 Eu12 K40 Li4 O362 W76 -","2","0.5","","Ma, Pengtao; Wan, Rong; Si, Yanan; Hu, Feng; Wang, Yueyan; Niu, Jingyang; Wang, Jingping","Double-malate bridging tri-lanthanoid cluster encapsulated arsenotungstates: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11514","11523","10.1039/c5dt01323b","","","0.71073","MoKα","","0.0729","0.0429","","","0.1037","0.1181","","","","","","1.007","","","","has coordinates","143578","2020-10-21","18:00:00",""
"7035313","21.047","0.003","25.429","0.003","22.733","0.003","90","","112.774","0.002","90","","11218","3","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H74 As4 K20 Li2 O181 Sm6 W38 -","- C8 H6 As4 K20 Li2 O181 Sm6 W38 -","- C16 H12 As8 K40 Li4 O362 Sm12 W76 -","2","0.5","","Ma, Pengtao; Wan, Rong; Si, Yanan; Hu, Feng; Wang, Yueyan; Niu, Jingyang; Wang, Jingping","Double-malate bridging tri-lanthanoid cluster encapsulated arsenotungstates: syntheses, structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11514","11523","10.1039/c5dt01323b","","","0.71073","MoKα","","0.089","0.0464","","","0.1041","0.1217","","","","","","1.006","","","","has coordinates","143578","2020-10-21","18:00:00",""
"7035314","12.142","0.004","15.103","0.005","18.918","0.006","90","","104.432","0.005","90","","3359.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Cl N2 O2 P2 Rh -","- C41 H32 Cl N2 O2 P2 Rh -","- C164 H128 Cl4 N8 O8 P8 Rh4 -","4","1","","San Nacianceno, Virginia; Azpeitia, Susan; Ibarlucea, Lourdes; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Stereoselective formation and catalytic activity of hydrido(acylphosphane)(chlorido)(pyrazole)rhodium(iii) complexes. Experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13141","13155","10.1039/c5dt01705j","","","0.71069","MoKα","","0.1999","0.0878","","","0.1394","0.1837","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035315","17.0245","0.0002","11.2585","0.0002","28.3044","0.0004","90","","94.331","0.001","90","","5409.62","0.14","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 N4 O P Rh -","- C25 H22 Cl2 N4 O P Rh -","- C200 H176 Cl16 N32 O8 P8 Rh8 -","8","1","","San Nacianceno, Virginia; Azpeitia, Susan; Ibarlucea, Lourdes; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Stereoselective formation and catalytic activity of hydrido(acylphosphane)(chlorido)(pyrazole)rhodium(iii) complexes. Experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13141","13155","10.1039/c5dt01705j","","","0.71073","MoKα","","0.0338","0.0285","","","0.0625","0.0648","","","","","","1.067","","","","has coordinates","153184","2020-10-21","18:00:00",""
"7035316","12.0092","0.0006","14.079","0.0009","14.3161","0.0009","104.68","0.005","105.492","0.005","111.777","0.005","1991","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 Cl4 N2 O P2 Rh -","- C43 H39 Cl4 N2 O P2 Rh -","- C86 H78 Cl8 N4 O2 P4 Rh2 -","2","1","","San Nacianceno, Virginia; Azpeitia, Susan; Ibarlucea, Lourdes; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M; San Sebastian, Eider; Garralda, María A","Stereoselective formation and catalytic activity of hydrido(acylphosphane)(chlorido)(pyrazole)rhodium(iii) complexes. Experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13141","13155","10.1039/c5dt01705j","","","1.54184","CuKα","","0.0372","0.0342","","","0.0888","0.092","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035317","7.9754","0.0003","12.3322","0.0005","17.8966","0.0008","104.062","0.003","101.49","0.002","95.503","0.002","1653.85","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H37 N3 -","- C43 H37 N3 -","- C86 H74 N6 -","2","1","","Wong, Edwin W. Y.; Emslie, David J. H.","Cyclometalation and coupling of a rigid 4,5-bis(imino)acridanide pincer ligand on yttrium.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11601","11612","10.1039/c5dt01636c","","","0.71073","MoKα","","0.0481","0.0387","","0.0944","0.0841","0.094","","","","","","1.0015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035318","13.744","0.002","14.389","0.002","20.904","0.003","82.938","0.004","71.274","0.004","74.886","0.004","3776.3","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C95.5 H85 N6 Y -","- C95.5 H85 N6 Y -","- C191 H170 N12 Y2 -","2","1","","Wong, Edwin W. Y.; Emslie, David J. H.","Cyclometalation and coupling of a rigid 4,5-bis(imino)acridanide pincer ligand on yttrium.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11601","11612","10.1039/c5dt01636c","","","0.71073","MoKα","","0.1272","0.0697","","0.1867","0.1614","0.1865","","","","","","0.921","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035319","13.055","0.003","14.122","0.003","24.089","0.005","106.793","0.003","94.276","0.003","98.405","0.003","4174","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C106.09 H91.09 N6 Y -","- C106.088 H91.088 N6 Y -","- C212.176 H182.176 N12 Y2 -","2","1","","Wong, Edwin W. Y.; Emslie, David J. H.","Cyclometalation and coupling of a rigid 4,5-bis(imino)acridanide pincer ligand on yttrium.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11601","11612","10.1039/c5dt01636c","","","0.71073","MoKα","","0.0661","0.0447","","0.1209","0.1104","0.1208","","","","","","0.9701","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035320","11.8264","0.0006","12.7464","0.0006","12.7973","0.0007","101.517","0.003","108.568","0.003","94.633","0.003","1770.11","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H40 Li N3 -","- C46.5 H40 Li N3 -","- C93 H80 Li2 N6 -","2","1","","Wong, Edwin W. Y.; Emslie, David J. H.","Cyclometalation and coupling of a rigid 4,5-bis(imino)acridanide pincer ligand on yttrium.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11601","11612","10.1039/c5dt01636c","","","0.71073","MoKα","","0.0799","0.064","","0.1627","0.1479","0.1626","","","","","","0.983","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035323","10.5551","0.0006","12.4385","0.0007","16.6","0.0009","87.275","0.004","75.794","0.004","86.572","0.004","2107.8","0.2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H29 Cl2 N4 Sb -","- C18 H29 Cl2 N4 Sb -","- C72 H116 Cl8 N16 Sb4 -","4","2","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0291","0.0202","","","0.049","0.0511","","","","","","1.046","","","","has coordinates","138431","2020-10-21","18:00:00",""
"7035324","9.08","0.002","10.126","0.003","11.752","0.003","68.806","0.004","82.572","0.004","83.749","0.004","996.7","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N8 O2 Sb2 -","- C36 H58 N8 O2 Sb2 -","- C36 H58 N8 O2 Sb2 -","1","0.5","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0609","0.0487","","","0.1056","0.1214","","","","","","1.134","","","","has coordinates","138431","2020-10-21","18:00:00",""
"7035325","11.146","0.006","12.87","0.006","16.347","0.008","107.146","0.008","99.329","0.009","92.409","0.009","2201.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Bi2 N8 O6 -","- C36 H66 Bi2 N8 O6 -","- C72 H132 Bi4 N16 O12 -","2","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0766","0.0442","","","0.1045","0.1276","","","","","","0.933","","","","has coordinates","138431","2020-10-21","18:00:00",""
"7035326","11.046","0.0011","28.78","0.003","18.4055","0.0018","90","","95.829","0.002","90","","5820.9","1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H71 F9 N8 O9 Sb2 -","- C49 H71 F9 N8 O9 Sb2 -","- C196 H284 F36 N32 O36 Sb8 -","4","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0888","0.0568","","","0.1198","0.1336","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035327","9.0558","0.0019","17.283","0.004","16.433","0.003","90","","105.629","0.004","90","","2476.9","0.9","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N4 O5 Sb -","- C20 H31 N4 O5 Sb -","- C80 H124 N16 O20 Sb4 -","4","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0564","0.0426","","","0.0917","0.0973","","","","","","1.049","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035328","12.626","0.003","12.291","0.003","15.792","0.003","90","","99.53","0.03","90","","2416.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N4 O4 Sb -","- C20 H37 N4 O4 Sb -","- C80 H148 N16 O16 Sb4 -","4","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.1519","0.1086","","","0.2069","0.2261","","","","","","1.192","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035329","12.6247","0.0009","12.1795","0.0009","15.7589","0.0011","90","","99.415","0.001","90","","2390.5","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 Bi N4 O4 -","- C20 H37 Bi N4 O4 -","- C80 H148 Bi4 N16 O16 -","4","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0435","0.0318","","","0.0643","0.0723","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035330","11.188","0.009","11.022","0.009","21.87","0.018","90","","93.335","0.015","90","","2692","4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N4 O2 Sb -","- C24 H41 N4 O2 Sb -","- C96 H164 N16 O8 Sb4 -","4","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0823","0.0522","","","0.0938","0.1041","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035331","9.7365","0.0011","10.1979","0.0011","15.6619","0.0018","81.563","0.002","76.977","0.002","64.391","0.002","1364.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 N4 O2 Sb -","- C24 H33 N4 O2 Sb -","- C48 H66 N8 O4 Sb2 -","2","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0463","0.0375","","","0.0811","0.0896","","","","","","1.056","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035332","9.8126","0.0009","10.1505","0.0009","15.7304","0.0014","82.242","0.002","77.035","0.002","64.012","0.001","1371.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 Bi N4 O2 -","- C24 H33 Bi N4 O2 -","- C48 H66 Bi2 N8 O4 -","2","1","","Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian","A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9927","9942","10.1039/c5dt00603a","","x-ray","0.71073","MoKα","","0.0426","0.0329","","","0.0675","0.0742","","","","","","1.013","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035333","26.2992","0.0004","26.2992","0.0004","19.8472","0.0005","90","","90","","120","","11888.2","0.4","173","2","173","2","","","","","","","","7","P 3","P 3","143","","","","- C181.75 H183 Cl9.5 N24.5 Ni4 O32 S12 -","- C181.75 H182.985 Cl9.5 N24.5 Ni4 O32 S12 -","- C363.5 H365.97 Cl19 N49 Ni8 O64 S24 -","2","0.666667","","Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13087","13092","10.1039/c5dt01706h","","","1.54184","CUKα","","0.0623","0.0553","","","0.148","0.1527","","","","","","1.006","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035334","12.5581","0.0005","12.6724","0.0004","29.7591","0.0009","89.099","0.002","81.233","0.003","76.182","0.003","4544.1","0.3","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C87 H103.5 Cl4 N16.5 Ni2 O16 -","- C87 H103.5 Cl4 N16.5 Ni2 O16 -","- C174 H207 Cl8 N33 Ni4 O32 -","2","2","","Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13087","13092","10.1039/c5dt01706h","","","1.54178","CuKα","","0.0529","0.0514","","","0.1479","0.1502","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035335","19.3605","0.0003","25.9644","0.0004","34.76","0.0005","71.8853","0.0015","76.3237","0.0014","70.0386","0.0015","15442.6","0.4","199.95","0.1","199.95","0.1","","","","","","","","7","P -1","-P 1","2","","(Bu4N)[Mo3S7Br4(dmbpy).Br]","","- C29.67 H49.17 Br5 Cl0.93 Mo3 N3 S7 -","- C29.6667 H49.1667 Br5 Cl0.933333 Mo3 N3 S7 -","- C356 H590 Br60 Cl11.2 Mo36 N36 S84 -","12","6","","Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.","Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13163","13172","10.1039/c5dt01244a","","","0.71073","MoKα","","0.1153","0.0647","","","0.1675","0.2012","","","","","","1.029","","","","has coordinates,has disorder","153185","2020-10-21","18:00:00",""
"7035336","11.19024","0.00019","32.5907","0.0006","14.5892","0.0003","90","","108.499","0.002","90","","5045.73","0.17","199.95","0.1","199.95","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(Bu4N)[Mo3S7Br4(bpy).Br]","","- C30 H30.5 Br5 Cl Mo3 N3 S7 -","- C30 H30.5 Br5 Cl Mo3 N3 S7 -","- C120 H122 Br20 Cl4 Mo12 N12 S28 -","4","2","","Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.","Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13163","13172","10.1039/c5dt01244a","","","0.71073","MoKα","","0.047","0.0429","","","0.1224","0.1255","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035337","11.969","0.0003","12.7039","0.0004","16.6526","0.0005","71.325","0.003","79.119","0.002","65.163","0.003","2172.55","0.13","200.05","0.1","200.05","0.1","","","","","","","","6","P -1","-P 1","2","","(Bu4N)[Mo3S7Br4(phen).Br]","","- C26.75 H36.25 Br5 Mo3 N3 S7 -","- C26.75 H36.25 Br5 Mo3 N3 S7 -","- C53.5 H72.5 Br10 Mo6 N6 S14 -","2","1","","Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.","Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13163","13172","10.1039/c5dt01244a","","","1.54184","CuKα","","0.0612","0.0538","","","0.1534","0.1654","","","","","","1.027","","","","has coordinates","153185","2020-10-21","18:00:00",""
"7035338","13.8174","0.0002","19.3711","0.0003","20.0877","0.0003","90","","103.432","0.0015","90","","5229.56","0.14","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bu4N)[Mo3S7Cl4(dmbpy).Cl]","","- C31 H53 Cl11 Mo3 N3 S7 -","- C31 H53 Cl11 Mo3 N3 S7 -","- C124 H212 Cl44 Mo12 N12 S28 -","4","1","","Recatalá, David; Llusar, Rosa; Barlow, Adam; Wang, Genmiao; Samoc, Marek; Humphrey, Mark G.; Guschin, Artem L.","Synthesis and optical power limiting properties of heteroleptic Mo3S7 clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13163","13172","10.1039/c5dt01244a","","","0.71073","MoKα","","0.0541","0.0426","","","0.1055","0.1186","","","","","","1.088","","","","has coordinates","153185","2020-10-21","18:00:00",""
"7035339","17.8413","0.0002","17.8413","0.0002","27.0941","0.0005","90","","90","","90","","8624.4","0.2","220","2","220","2","","","","","","","","5","I 41","I 4bw","80","","","","- C97 H62 Cu2 N10 O2 -","- C97 H62 Cu2 N10 O2 -","- C388 H248 Cu8 N40 O8 -","4","0.5","","Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang","Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12511","12515","10.1039/c5dt01767j","","","1.54178","CuKα","","0.0521","0.0479","","","0.1279","0.1327","","","","","","1.034","","","","has coordinates,has disorder","143680","2020-10-21","18:00:00",""
"7035340","31.16","0.003","19.409","0.002","32.877","0.004","90","","103.566","0.002","90","","19329","4","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C200 H136 N20 O4 Zn4 -","- C200 H136 N20 O4 Zn4 -","- C800 H544 N80 O16 Zn16 -","4","1","","Fang, Xianshi; Han, Zhen; Xu, Chenglong; Li, Xiaohong; Wang, Yong; Hu, Chuanjiang","Discrimination between alkyl and aryl substituents of chiral monoamines by m-phthalic diamide-linked zinc bisporphyrinates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12511","12515","10.1039/c5dt01767j","","","0.71073","MoKα","","0.1207","0.094","","","0.226","0.2387","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035341","21.756","0.004","29.059","0.005","31.149","0.006","90","","92.594","0.004","90","","19672","6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H70 Mo18 N12 O79 P6 Sr Zn -","- C35 H70 Mo18 N12 O79 P6 Sr Zn -","- C280 H560 Mo144 N96 O632 P48 Sr8 Zn8 -","8","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0826","0.064","","","0.1076","0.1138","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035342","32.532","0.003","21.8874","0.0016","12.3247","0.0009","90","","90","","90","","8775.7","1.2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H32 Cu2 Mo18 N6 O79 P6 Sr -","- C10 H32 Cu2 Mo18 N6 O79 P6 Sr -","- C40 H128 Cu8 Mo72 N24 O316 P24 Sr4 -","4","0.5","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0867","0.0608","","","0.1043","0.1118","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035343","16.548","0.002","13.8013","0.0018","21.631","0.003","90","","104.605","0.002","90","","4780.5","1.1","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Fe Mo18 N12 O77 P6 Sr -","- C36 H68 Fe Mo18 N12 O77 P6 Sr -","- C72 H136 Fe2 Mo36 N24 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0342","0.031","","","0.0727","0.0783","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035344","16.69","0.004","13.887","0.003","21.799","0.005","90","","104.659","0.004","90","","4888","1.9","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Co Mo18 N12 O77 P6 Sr -","- C36 H68 Co Mo18 N12 O77 P6 Sr -","- C72 H136 Co2 Mo36 N24 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0504","0.0387","","","0.091","0.1022","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035345","16.6067","0.001","13.7398","0.0008","21.5749","0.0013","90","","104.718","0.001","90","","4761.3","0.5","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H68 Mo18 N12 Ni O77 P6 Sr -","- C36 H68 Mo18 N12 Ni O77 P6 Sr -","- C72 H136 Mo36 N24 Ni2 O154 P12 Sr2 -","2","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin","Assembly of a basket-like {Sr ⊂ P6Mo18O73} cage from 0D dimmer to 2D network and its photo-/electro-catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12839","12851","10.1039/c5dt01480h","","","0.71073","MoKα","","0.0321","0.0288","","","0.0721","0.0801","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035346","10.262","0.003","11.987","0.004","13.409","0.004","98.828","0.008","104.504","0.008","98.746","0.008","1546.4","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 F16 N4 Ni2 O -","- C29 H22 F16 N4 Ni2 O -","- C58 H44 F32 N8 Ni4 O2 -","2","1","","Yu, S.; Dudkina, Y.; Wang, H.; Kholin, K. V.; Kadirov, M. K.; Budnikova, Y. H.; Vicic, D. A.","Accessing perfluoroalkyl nickel(ii), (iii), and (iv) complexes bearing a readily attached [C4F8] ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19443","19446","10.1039/c5dt01771h","","","0.71073","MoKα","","0.1114","0.0961","","","0.2744","0.2787","","","","","","1.182","","","","has coordinates","171167","2020-10-21","18:00:00",""
"7035347","10.2036","0.0019","10.296","0.002","10.3028","0.0019","62.689","0.004","67.126","0.004","75.991","0.004","883.4","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F8 N3 Ni -","- C19 H11 F8 N3 Ni -","- C38 H22 F16 N6 Ni2 -","2","1","","Yu, S.; Dudkina, Y.; Wang, H.; Kholin, K. V.; Kadirov, M. K.; Budnikova, Y. H.; Vicic, D. A.","Accessing perfluoroalkyl nickel(ii), (iii), and (iv) complexes bearing a readily attached [C4F8] ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19443","19446","10.1039/c5dt01771h","","","0.71073","MoKα","","0.0693","0.0514","","","0.1037","0.1118","","","","","","1.137","","","","has coordinates","171167","2020-10-21","18:00:00",""
"7035348","13.2657","0.0009","12.9585","0.0009","13.5849","0.0009","90","","96.042","0.0017","90","","2322.3","0.3","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 B F12 N4 Ni -","- C21 H14 B F12 N4 Ni -","- C84 H56 B4 F48 N16 Ni4 -","4","1","","Yu, S.; Dudkina, Y.; Wang, H.; Kholin, K. V.; Kadirov, M. K.; Budnikova, Y. H.; Vicic, D. A.","Accessing perfluoroalkyl nickel(ii), (iii), and (iv) complexes bearing a readily attached [C4F8] ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19443","19446","10.1039/c5dt01771h","","","0.71073","MoKα","","0.0887","0.073","","","0.1566","0.167","","","","","","1.093","","","","has coordinates","171167","2020-10-21","18:00:00",""
"7035349","9.0492","0.0005","9.6655","0.0005","21.3503","0.0011","77.345","0.004","78.084","0.004","69.959","0.004","1694.03","0.16","299","2","299","2","","","","","","","","6","P -1","-P 1","2","Cu complex","","","- C52 H92 Cu2 N4 O24 P8 -","- C52 H92 Cu2 N4 O24 P8 -","- C52 H92 Cu2 N4 O24 P8 -","1","0.5","","Bulut, A.; Zorlu, Y.; Topkaya, R.; Aktaş, B; Doğan, S; Kurt, H.; Yücesan, G","Macrocyclic Cu(ii)-organophosphonate building block with room temperature magnetic ordering.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12526","12529","10.1039/c5dt01596k","","","0.71073","MoKα","","0.0493","0.0441","","","0.1031","0.1056","","","","","","1.097","","","","has coordinates","143698","2020-10-21","18:00:00",""
"7035350","13.7108","0.0012","14.8709","0.0012","19.711","0.0018","93.101","0.006","104.443","0.005","102.318","0.005","3777.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2,7-fluorenonediphosphonic acid copper(II) complex","","","- C69 H48 Cu2 N6 O23 P6 -","- C69 H48 Cu2 N6 O23 P6 -","- C138 H96 Cu4 N12 O46 P12 -","2","1","","Bulut, A.; Zorlu, Y.; Topkaya, R.; Aktaş, B; Doğan, S; Kurt, H.; Yücesan, G","Macrocyclic Cu(ii)-organophosphonate building block with room temperature magnetic ordering.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12526","12529","10.1039/c5dt01596k","","","0.71073","MoKα","","0.105","0.0669","","","0.1641","0.1774","","","","","","0.965","","","","has coordinates","143698","2020-10-21","18:00:00",""
"7035351","10.4029","0.0008","11.7222","0.0008","11.8865","0.0007","71.602","0.006","64.303","0.007","77.4","0.006","1233.77","0.17","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","unk","","- C30 H64 Mn4 N4 O34 -","- C30 H64 Mn4 N4 O34 -","- C30 H64 Mn4 N4 O34 -","1","0.5","","Phukan, Bedika; Patel, Anant B.; Mukherjee, Chandan","A water-soluble and water-coordinated Mn(ii) complex: synthesis, characterization and phantom MRI image study.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12990","12994","10.1039/c5dt01781e","","x-ray","0.71073","MoKα","","0.0583","0.0423","","","0.089","0.1012","","","","","","1.074","","","","has coordinates","153209","2020-10-21","18:00:00",""
"7035352","9.0716","0.0004","28.5414","0.0012","10.2781","0.0005","90","","105.521","0.005","90","","2564.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cu Dy N5 O15 -","- C19 H20 Cu Dy N5 O15 -","- C76 H80 Cu4 Dy4 N20 O60 -","4","1","","Dolai, Malay; Ali, Mahammad; Titiš, Ján; Boča, Roman","Cu(ii)-Dy(iii) and Co(iii)-Dy(iii) based single molecule magnets with multiple slow magnetic relaxation processes in the Cu(ii)-Dy(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13242","13249","10.1039/c5dt00960j","","","0.71073","MoKα","","0.0576","0.053","","","0.1152","0.1175","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035353","11.1816","0.0002","20.7429","0.0004","15.4433","0.0003","90","","102.707","0.001","90","","3494.17","0.12","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Co Dy N2 O19 -","- C27 H38 Co Dy N2 O19 -","- C108 H152 Co4 Dy4 N8 O76 -","4","1","","Dolai, Malay; Ali, Mahammad; Titiš, Ján; Boča, Roman","Cu(ii)-Dy(iii) and Co(iii)-Dy(iii) based single molecule magnets with multiple slow magnetic relaxation processes in the Cu(ii)-Dy(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13242","13249","10.1039/c5dt00960j","","","0.71073","MoKα","","0.0334","0.0277","","","0.075","0.0788","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035354","21.318","0.003","11.3583","0.0013","21.294","0.003","90","","92.519","0.007","90","","5151.1","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N6 O4 -","- C29 H22 N6 O4 -","- C232 H176 N48 O32 -","8","2","","Datta, Barun Kumar; Thiyagarajan, Durairaj; Ramesh, Aiyagari; Das, Gopal","A sole multi-analyte receptor responds with three distinct fluorescence signals: traffic signal like sensing of Al(3+), Zn(2+) and F(.).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13093","13099","10.1039/c5dt01468a","","","0.71073","MoKα","","0.2639","0.063","","","0.1165","0.1661","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035355","9.994","0.0003","18.5146","0.0006","4.97201","0.00018","90","","90","","90","","920","0.05","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H16 As2 Br2 -","- C18 H16 As2 Br2 -","- C36 H32 As4 Br4 -","2","0.5","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0729","0.0384","","","0.0653","0.0913","","","","","","1.157","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035356","9.9977","0.0004","18.5103","0.0008","4.96616","0.00017","90","","90","","90","","919.04","0.06","296","","296","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H16 As2 Br2 -","- C18 H16 As2 Br2 -","- C36 H32 As4 Br4 -","2","0.5","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0588","0.0262","","","0.0468","0.074","","","","","","1.225","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035357","9.3383","0.0006","10.5512","0.0006","10.7149","0.0006","65.9677","0.0015","63.8478","0.0015","65.3787","0.0017","828.52","0.09","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 As2 -","- C18 H18 As2 -","- C36 H36 As4 -","2","1","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.1169","0.0596","","","0.1492","0.224","","","","","","1.114","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035358","22.9707","0.0004","12.1624","0.0002","22.9851","0.0005","90","","117.716","0.0007","90","","5684.76","0.19","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 As6 Cu2 I2 -","- C54 H54 As6 Cu2 I2 -","- C216 H216 As24 Cu8 I8 -","4","1","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0538","0.0306","","","0.0575","0.0689","","","","","","1.07","","","","has coordinates","161320","2020-10-21","18:00:00",""
"7035359","18.0767","0.0003","18.0767","0.0003","38.3573","0.0008","90","","90","","120","","10854.7","0.3","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C61 H58.5 As6 Br6 Cu2 I2 N3.5 -","- C55.9999 H48 As6 Br6 Cu2 I2 N0.9999 -","- C335.999 H288 As36 Br36 Cu12 I12 N5.9994 -","6","","","Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke","As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15372","15376","10.1039/c5dt01490e","","","0.71075","MoKα","","0.0494","0.0353","","","0.0887","0.0963","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035360","11.4239","0.0007","14.8484","0.0007","16.8232","0.0008","96.983","0.004","106.192","0.005","110.902","0.005","2481.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 B Ni P3 S -","- C60 H58 B Ni P3 S -","- C120 H116 B2 Ni2 P6 S2 -","2","1","","Alwaaly, Ahmed; Clegg, William; Harrington, Ross W.; Petrou, Athinoula L.; Henderson, Richard A.","Mechanism of proton transfer to coordinated thiolates: encapsulation of acid stabilizes precursor intermediate.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11977","11983","10.1039/c5dt01716e","","","0.71073","MoKα","","0.0578","0.0381","","","0.0747","0.0834","","","","","","1.033","","","","has coordinates,has disorder","143494","2020-10-21","18:00:00",""
"7035361","12.5663","0.0006","13.8894","0.0006","17.6784","0.0008","72.371","0.004","75.534","0.004","67.285","0.004","2681.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H63 B Cl Ni P3 S -","- C62.5 H63 B Cl Ni P3 S -","- C125 H126 B2 Cl2 Ni2 P6 S2 -","2","1","","Alwaaly, Ahmed; Clegg, William; Harrington, Ross W.; Petrou, Athinoula L.; Henderson, Richard A.","Mechanism of proton transfer to coordinated thiolates: encapsulation of acid stabilizes precursor intermediate.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11977","11983","10.1039/c5dt01716e","","","0.71073","MoKα","","0.0785","0.0506","","","0.112","0.1278","","","","","","1.021","","","","has coordinates,has disorder","143494","2020-10-21","18:00:00",""
"7035362","11.3585","0.0004","14.9357","0.0005","19.0458","0.0008","79.27","0.003","73.939","0.003","68.72","0.003","2879.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H62 B Ni O P3 S -","- C64 H64 B Ni P3 S -","- C128 H128 B2 Ni2 P6 S2 -","2","1","","Alwaaly, Ahmed; Clegg, William; Harrington, Ross W.; Petrou, Athinoula L.; Henderson, Richard A.","Mechanism of proton transfer to coordinated thiolates: encapsulation of acid stabilizes precursor intermediate.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11977","11983","10.1039/c5dt01716e","","","0.71073","MoKα","","0.0505","0.0377","","","0.0873","0.0939","","","","","","1.021","","","","has coordinates","143494","2020-10-21","18:00:00",""
"7035363","9.6856","0.0006","14.1697","0.001","9.9927","0.0006","90","","98.959","0.006","90","","1354.69","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","al01","","","- C11 H24 Al N2 O -","- C11 H24 Al N2 O -","- C44 H96 Al4 N8 O4 -","4","1","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0734","0.0631","","","0.189","0.1991","","","","","","1.008","","","","has coordinates","143496","2020-10-21","18:00:00",""
"7035364","17.4749","0.0008","10.041","0.0004","7.7635","0.0003","90","","90","","90","","1362.23","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","alonf1","","","- C13 H17 Al F N O -","- C13 H17 Al F N O -","- C52 H68 Al4 F4 N4 O4 -","4","0.5","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0646","0.0541","","","0.1659","0.177","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035365","9.1726","0.0005","10.779","0.0006","11.6466","0.0008","87.884","0.005","76.862","0.005","74.023","0.005","1077.66","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","alondiprobn","[LH5AlOBn2]2","","- C50 H52 Al2 N2 O6 -","- C50 H52 Al2 N2 O6 -","- C50 H52 Al2 N2 O6 -","1","0.5","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0645","0.0528","","","0.147","0.1571","","","","","","1.027","","","","has coordinates","143496","2020-10-21","18:00:00",""
"7035366","24.0703","0.0008","7.3632","0.0003","7.6135","0.0003","90","","90","","90","","1349.37","0.09","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","alonpry","","","- C13 H19 Al N2 O -","- C13 H19 Al N2 O -","- C52 H76 Al4 N8 O4 -","4","0.5","","Tseng, Hsi-Ching; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yen-Jen; Lian, Cheng-Jie; Chen, Yu-Hsieh; Tsai, Hsin-Yi; Lai, Yi-Chun; Chen, Hsuan-Ying","A closer look at ε-caprolactone polymerization catalyzed by alkyl aluminum complexes: the effect of induction period on overall catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11763","11773","10.1039/c5dt01563d","","","0.71073","MoKα","","0.0609","0.0569","","","0.1651","0.1676","","","","","","1.087","","","","has coordinates","143496","2020-10-21","18:00:00",""
"7035373","14.1326","0.0001","21.8193","0.0001","17.6167","0.0001","90","","113.46","0.0009","90","","4983.29","0.06","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[N,N-Bis(4-methoxy-2-hydroxybenzylidene)-cis-1,2-cyclohexanediaminato]Zinc(II)","","- C48.83 H58.83 Cl2.5 N4 O9 Zn2 -","- C48.8336 H58.8336 Cl2.5008 N4 O9 Zn2 -","- C195.334 H235.334 Cl10.0032 N16 O36 Zn8 -","4","0.5","","Consiglio, Giuseppe; Oliveri, Ivan Pietro; Punzo, Francesco; Thompson, Amber L.; Di Bella, Santo; Failla, Salvatore","Structure and aggregation properties of a Schiff-base zinc(ii) complex derived from cis-1,2-diaminocyclohexane.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13040","13048","10.1039/c5dt01148e","","","1.5418","CuKα","","0.0363","0.0348","","0.091","0.09","0.091","","","","","","1.0019","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035374","11.718","0.0003","10.696","0.0003","13.414","0.0004","90","","104.386","0.002","90","","1628.54","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(OC-6-12)-dichlorobis{[4-(tetrahydro-1,4-oxazino-?N)methyl]diphenylphosphine-?P}ruthenium(II)","","- C34 H40 Cl2 N2 O2 P2 Ru -","- C34 H40 Cl2 N2 O2 P2 Ru -","- C68 H80 Cl4 N4 O4 P4 Ru2 -","2","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","","0.71073","MoKα","","0.0392","0.0288","","","0.0656","0.0703","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035375","11.7701","0.0003","15.4658","0.0004","23.888","0.0005","90","","101.725","0.002","90","","4257.7","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(OC-6-33)-bis(acetonitrile)dichlorobis{[4-(tetrahydro-1,4-oxazino)methyl]diphenylphosphine-?P}ruthenium(II)","","- C42 H52 Cl2 N6 O2 P2 Ru -","- C42 H52 Cl2 N6 O2 P2 Ru -","- C168 H208 Cl8 N24 O8 P8 Ru4 -","4","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","","0.71073","MoKα","","0.0505","0.0402","","","0.0978","0.1053","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035376","10.2331","0.0001","17.3721","0.0002","10.6544","0.0002","90","","92.496","0.001","90","","1892.24","0.05","132","","132","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","(OC-6-12)-dichlorobis{tris-[4-(tetrahydro-1,4-oxazino-?N)methyl]phosphine-?P} ruthenium(II)","","- C30 H60 Cl2 N6 O6 P2 Ru -","- C30 H60 Cl2 N6 O6 P2 Ru -","- C60 H120 Cl4 N12 O12 P4 Ru2 -","2","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","x-ray","1.54184","CuKα","","0.0306","0.0257","","","0.0625","0.0659","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035377","25.716","0.003","10.533","0.001","15.764","0.002","90","","91.084","0.009","90","","4269.2","0.8","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","(OC-6-12)-dichlorobis{{1-[4-ethyl(tetrahydro-1,4-diazino-κN1)]methyl}diphenylphosphine-κP}ruthenium(II) dimethanolate dihydrate","","- C40 H62 Cl2 N4 O4 P2 Ru -","- C40 H62 Cl2 N4 O4 P2 Ru -","- C160 H248 Cl8 N16 O16 P8 Ru4 -","4","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","","0.7107","MoKα","","0.1713","0.0971","","","0.2263","0.2634","","","","","","0.972","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035378","9.2987","0.0006","25.238","0.002","10.4915","0.0007","90","","100.394","0.005","90","","2421.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(OC-6-33)-bis(acetonitrile)dichlorobis{{1-[4-ethyl(tetrahydro-1,4-diazino)]methyl}diphenylphosphine-?P}ruthenium(II)","","- C43 H57 Cl5 N6 P2 Ru -","- C43 H57 Cl5 N6 P2 Ru -","- C86 H114 Cl10 N12 P4 Ru2 -","2","0.5","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka","New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13969","13978","10.1039/c5dt01119a","","x-ray","0.71073","MoKα","","0.0599","0.0465","","","0.0989","0.1054","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035379","8.7202","0.0002","14.6163","0.0003","13.0992","0.0003","90","","93.324","0.002","90","","1666.78","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Ca Cl2 Mn N4 O11.5 -","- C24 H37.342 Ca Cl2 Mn N4 O11.514 -","- C48 H74.684 Ca2 Cl4 Mn2 N8 O23.028 -","2","1","","Gerey, Bertrand; Gennari, Marcello; Gouré, Eric; Pécaut, Jacques; Blackman, Allan; Pantazis, Dimitrios A.; Neese, Frank; Molton, Florian; Fortage, Jérôme; Duboc, Carole; Collomb, Marie-Noëlle","Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12757","12770","10.1039/c5dt01776a","","","0.71073","MoKα","","0.0701","0.0511","","","0.0775","0.0848","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035380","10.1802","0.0005","23.6482","0.0006","10.262","0.0004","90","","113.84","0.005","90","","2259.72","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50.4 Ca2 N8 O17.2 -","- C40 H50.404 Ca2 N8 O17.202 -","- C80 H100.808 Ca4 N16 O34.404 -","2","0.5","","Gerey, Bertrand; Gennari, Marcello; Gouré, Eric; Pécaut, Jacques; Blackman, Allan; Pantazis, Dimitrios A.; Neese, Frank; Molton, Florian; Fortage, Jérôme; Duboc, Carole; Collomb, Marie-Noëlle","Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12757","12770","10.1039/c5dt01776a","","","0.71073","MoKα","","0.0736","0.0466","","","0.0817","0.0916","","","","","","1.015","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035381","33.4","0.004","13.8787","0.0019","13.579","0.0016","90","","104.966","0.003","90","","6081","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H0 La O8 S2 -","- C25 La O8 S2 -","- C200 La8 O64 S16 -","8","1","","Zhang, Chuanqi; Yan, Yan; Pan, Qinhe; Sun, Libo; He, Hongming; Liu, Yunling; Liang, Zhiqiang; Li, Jiyang","A microporous lanthanum metal-organic framework as a bi-functional chemosensor for the detection of picric acid and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13340","13346","10.1039/c5dt01065a","","","0.71073","MoKα","","0.077","0.0605","","","0.1638","0.1751","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035382","10.612","0.003","11.395","0.003","19.287","0.006","94.225","0.017","99.683","0.018","104.578","0.017","2208.5","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Cl2 Ga2 N6 O19 P2 -","- C36 H46 Cl2 Ga2 N6 O19 P2 -","- C72 H92 Cl4 Ga4 N12 O38 P4 -","2","1","","Svane, Simon; Kjeldsen, Frank; McKee, Vickie; McKenzie, Christine J.","The selectivity of water-based pyrophosphate recognition is tuned by metal substitution in dimetallic receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11877","11886","10.1039/c5dt00729a","","","0.71073","MoKα","","0.173","0.0979","","","0.2154","0.2526","","","","","","1.026","","","","has coordinates","143514","2020-10-21","18:00:00",""
"7035383","10.9425","0.0007","24.8248","0.0014","31.3943","0.0019","109.057","0.003","98.716","0.004","91.073","0.003","7946.4","0.9","150","2","150","2","","","","","","","no","6","P -1","-P 1","2","","","","- C120.5 H144 Cl9 In6 N18 O55 -","- C120.5 H139 Cl9 In6 N18 O55 -","- C241 H278 Cl18 In12 N36 O110 -","2","1","","Svane, Simon; Kjeldsen, Frank; McKee, Vickie; McKenzie, Christine J.","The selectivity of water-based pyrophosphate recognition is tuned by metal substitution in dimetallic receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11877","11886","10.1039/c5dt00729a","","","0.71073","MoKα","","0.1038","0.0542","","","0.137","0.1633","","","","","","1.004","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035384","16.155","0.005","9.626","0.003","31.755","0.007","90","","120.579","0.011","90","","4251","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{(C5H4N)(?2-η3,η5-C9H5CCH2CH2CH2CCH2)}Ru2(CO)4","","- C24 H17 N O4 Ru2 -","- C24 H17 N O4 Ru2 -","- C192 H136 N8 O32 Ru16 -","8","2","","Gong, Dawei; Hu, Bowen; Shi, Jing; Chen, Dafa","Intramolecular cyclization of a diruthenium complex: insight into the mechanism of heteroatom-directed intramolecular C-H/olefin coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12507","12510","10.1039/c5dt02071a","","","0.71073","MoKα","","0.0585","0.0471","","","0.1131","0.1181","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035385","17.6013","0.0005","15.0254","0.0004","17.6493","0.0006","90","","113.718","0.004","90","","4273.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{(C5H4N)(?3-η5,η2,η1-C9H5CHCH2CH2CH2CH=CH2)}Ru2(CO)4","","- C24 H19 N O4 Ru2 -","- C24 H19 N O4 Ru2 -","- C192 H152 N8 O32 Ru16 -","8","1","","Gong, Dawei; Hu, Bowen; Shi, Jing; Chen, Dafa","Intramolecular cyclization of a diruthenium complex: insight into the mechanism of heteroatom-directed intramolecular C-H/olefin coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12507","12510","10.1039/c5dt02071a","","","0.71073","MoKα","","0.0316","0.0244","","","0.0485","0.0521","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035386","13.7993","0.0007","16.2142","0.0009","16.6779","0.0009","77.074","0.005","65.654","0.004","89.887","0.004","3296.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H46 Cl2 N2 O2 Pd S2 -","- C27 H46 Cl2 N2 O2 Pd S2 -","- C108 H184 Cl8 N8 O8 Pd4 S8 -","4","2","","Vats, Balgovind; Kannan, S.; Sundararajan, Mahesh; Kumar, Mukesh; Drew, M. G. B.","Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11867","11876","10.1039/c4dt03814b","","","0.71073","MoKα","","0.1525","0.0971","","","0.2199","0.2618","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035387","10.9113","0.0011","11.2873","0.001","12.6881","0.0016","93.601","0.009","106.481","0.01","92.09","0.008","1493.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 Br2 N2 O2 Pd S2 -","- C22 H44 Br2 N2 O2 Pd S2 -","- C44 H88 Br4 N4 O4 Pd2 S4 -","2","1","","Vats, Balgovind; Kannan, S.; Sundararajan, Mahesh; Kumar, Mukesh; Drew, M. G. B.","Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11867","11876","10.1039/c4dt03814b","","","0.71073","MoKα","","0.1344","0.0699","","","0.1583","0.1974","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035388","7.3801","0.0007","11.9176","0.0013","14.8102","0.0014","107.383","0.009","90.55","0.008","90.063","0.008","1243","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 N6 O10 Pd S4 -","- C36 H72 N6 O10 Pd S4 -","- C36 H72 N6 O10 Pd S4 -","1","0.5","","Vats, Balgovind; Kannan, S.; Sundararajan, Mahesh; Kumar, Mukesh; Drew, M. G. B.","Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(ii).","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11867","11876","10.1039/c4dt03814b","","","1.5418","CuKα","","0.086","0.081","","","0.2236","0.2306","","","","","","1.07","","","","has coordinates","143516","2020-10-21","18:00:00",""
"7035389","12.159","0.003","22.224","0.004","30.636","0.006","92.391","0.003","97.373","0.003","95.874","0.003","8154","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H245 Cu27 N38 O270 P6 W60.5 -","- C42 H163 Cu27 N38 O270 P6 W60.5 -","- C42 H163 Cu27 N38 O270 P6 W60.5 -","1","0.5","","Fang, Wei-Hui; Wang, Wei-Dong; Yang, Guo-Yu","A novel poly(polyoxometalate) built by {Cu9}/{Cu5} clusters and {PW9}/{PW10}/{PW11} lacunary fragments.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12546","12549","10.1039/c5dt01999k","","","0.71073","MoKα","","0.0826","0.0599","","","0.1445","0.1604","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035390","13.2087","0.0009","7.5055","0.0005","24.8936","0.0018","90","","104.4","0.005","90","","2390.4","0.3","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Br N4 O3 Re -","- C25 H22 Br N4 O3 Re -","- C100 H88 Br4 N16 O12 Re4 -","4","1","","Platel, Rachel H.; Coogan, Michael P.; Platts, James A.","Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11700","11704","10.1039/c5dt02136g","","","0.71073","MoKα","","0.0442","0.0281","","","0.0545","0.0598","","","","","","1.023","","","","has coordinates","143474","2020-10-21","18:00:00",""
"7035391","10.2026","0.0007","11.8088","0.0008","13.106","0.0009","63.263","0.004","86.265","0.005","73.684","0.004","1349.94","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 Br Cl0 N4 O3 Re -","- C28 H25 Br N4 O4 Re -","- C56 H50 Br2 N8 O8 Re2 -","2","1","","Platel, Rachel H.; Coogan, Michael P.; Platts, James A.","Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11700","11704","10.1039/c5dt02136g","","","0.71073","MoKα","","0.0236","0.0229","","","0.0593","0.0598","","","","","","1.043","","","","has coordinates,has disorder","143474","2020-10-21","18:00:00",""
"7035392","8.9603","0.0005","11.1814","0.0008","17.0562","0.0011","71.987","0.003","79.252","0.004","86.961","0.004","1596.55","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Br N4 O3 Re -","- C35 H34 Br N4 O3 Re -","- C70 H68 Br2 N8 O6 Re2 -","2","1","","Platel, Rachel H.; Coogan, Michael P.; Platts, James A.","Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11700","11704","10.1039/c5dt02136g","","","0.71075","MoKα","","0.0243","0.0233","","","0.0591","0.0597","","","","","","1.046","","","","has coordinates","143474","2020-10-21","18:00:00",""
"7035393","16.3443","0.0011","5.949","0.0004","21.3716","0.0015","90","","106.773","0.003","90","","1989.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N4 -","- C25 H26 N4 -","- C100 H104 N16 -","4","1","","Platel, Rachel H.; Coogan, Michael P.; Platts, James A.","Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11700","11704","10.1039/c5dt02136g","","","0.71075","MoKα","","0.0596","0.0387","","","0.0927","0.1019","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035394","11.303","0.001","11.742","0.001","12.966","0.001","67.77","0.01","89.19","0.01","86.47","0.02","1589.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N6 O2 -","- C36 H42 N6 O2 -","- C72 H84 N12 O4 -","2","1","","Pal, Ajoy; Bag, Bamaprasad","Dual mode signaling responses of a rhodamine based probe and its immobilization onto a silica gel surface for specific mercury ion detection.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15304","15315","10.1039/c5dt01334h","","","0.71073","MoKα","","0.091","0.0633","","","0.1828","0.2125","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035395","11.7542","0.0002","19.4585","0.0004","36.459","0.0007","90","","97.9842","0.0019","90","","8258","0.3","150.1","0.1","150.1","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H202 Co6 Dy4 N14 O60 P2 -","- C122 H202 Co6 Dy4 N14 O60 P2 -","- C244 H404 Co12 Dy8 N28 O120 P4 -","2","0.5","","Zangana, Karzan H.; Moreno Pineda, Eufemio; Winpenny, Richard E. P.","Single molecule magnet behaviour in a {Dy4P2} octahedron.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12522","12525","10.1039/c5dt01786f","","x-ray","0.71073","MoKα","","0.066","0.0448","","","0.09","0.1012","","","","","","1.039","","","","has coordinates,has disorder","143685","2020-10-21","18:00:00",""
"7035396","11.7554","0.0002","19.4689","0.0004","36.4118","0.0007","90","","97.9131","0.0017","90","","8254","0.3","128","0.4","128","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H202 Co6 Gd4 N14 O60 P2 -","- C122 H202 Co6 Gd4 N14 O60 P2 -","- C244 H404 Co12 Gd8 N28 O120 P4 -","2","0.5","","Zangana, Karzan H.; Moreno Pineda, Eufemio; Winpenny, Richard E. P.","Single molecule magnet behaviour in a {Dy4P2} octahedron.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12522","12525","10.1039/c5dt01786f","","x-ray","0.71073","MoKα","","0.0731","0.0479","","","0.0687","0.0746","","","","","","1.088","","","","has coordinates,has disorder","143685","2020-10-21","18:00:00",""
"7035397","8.0204","0.0002","12.7917","0.0003","13.0855","0.0004","90","","98.087","0.003","90","","1329.15","0.06","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11919","11928","10.1039/c5dt01407g","","","0.7107","MoKα","","0.0512","0.0441","","","0.1245","0.1302","","","","","","1.073","","","","has coordinates","143492","2020-10-21","18:00:00",""
"7035398","11.9893","0.0002","14.0266","0.0003","7.25469","0.00015","90","","90.2237","0.0018","90","","1220.01","0.04","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11919","11928","10.1039/c5dt01407g","","x-ray","0.7107","MoKα","","0.0584","0.0464","","","0.1196","0.1285","","","","","","1.032","","","","has coordinates","143492","2020-10-21","18:00:00",""
"7035399","4.69799","0.00014","20.2659","0.0008","13.4966","0.0004","90","","93.83","0.003","90","","1282.13","0.07","110.1","0.2","110.1","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O0.997 -","- C68 H48 Cl4 N4 O3.988 -","4","1","","Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11919","11928","10.1039/c5dt01407g","","","0.7107","MoKα","","0.0493","0.0409","","","0.098","0.1046","","","","","","1.051","","","","has coordinates,has disorder","143492","2020-10-21","18:00:00",""
"7035400","9.5684","0.0005","10.2961","0.0005","12.1674","0.0007","98.042","0.004","112.189","0.005","109.089","0.005","1000.24","0.12","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O2 Pt -","- C25 H25 N O2 Pt -","- C50 H50 N2 O4 Pt2 -","2","1","","Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11919","11928","10.1039/c5dt01407g","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0585","0.0601","","","","","","1.049","","","","has coordinates,has disorder","143492","2020-10-21","18:00:00",""
"7035401","7.1629","0.0004","17.1325","0.0007","19.9614","0.0008","87.663","0.003","84.731","0.004","82.141","0.004","2415.4","0.2","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H58 N2 O5 Pt2 -","- C54.5 H58 N2 O5 Pt2 -","- C109 H116 N4 O10 Pt4 -","2","1","","Lachachi, M. Belhadj; Benabdallah, Tayeb; Aguiar, Pedro M.; Youcef, M. Hadj; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of a series of new platinum organometallic complexes derived from bidentate Schiff-base ligands and their catalytic activity in the hydrosilylation and dehydrosilylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11919","11928","10.1039/c5dt01407g","","x-ray","0.7107","MoKα","","0.0533","0.0353","","","0.0753","0.0812","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035402","28.625","0.006","8.7282","0.0012","17.707","0.004","90","","97.69","0.017","90","","4384.2","1.5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 Ni O S -","- C20 H30 N4 Ni O S -","- C160 H240 N32 Ni8 O8 S8 -","8","1","","Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice","Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12743","12756","10.1039/c5dt00944h","","x-ray","0.71073","MoKα","","0.064","0.0356","","","0.0801","0.0927","","","","","","1.055","","","","has coordinates","143689","2020-10-21","18:00:00",""
"7035403","22.065","0.004","8.4","0.005","25.134","0.006","90","","96.984","0.008","90","","4624","3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 Ni O S -","- C21 H32 N4 Ni O S -","- C168 H256 N32 Ni8 O8 S8 -","8","2","","Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice","Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12743","12756","10.1039/c5dt00944h","","x-ray","0.71073","MoKα","","0.1219","0.0513","","","0.1038","0.1244","","","","","","1.02","","","","has coordinates","143689","2020-10-21","18:00:00",""
"7035404","31.843","0.004","6.9564","0.0012","10.3257","0.0019","90","","90","","90","","2287.3","0.6","200","","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H30 N4 Ni S2 -","- C20 H33.532 N4 Ni S2 -","- C80 H134.128 N16 Ni4 S8 -","4","0.5","","Kochem, Amélie; Gellon, Gisèle; Jarjayes, Olivier; Philouze, Christian; du Moulinet d'Hardemare, Amaury; van Gastel, Maurice; Thomas, Fabrice","Nickel(ii) radical complexes of thiosemicarbazone ligands appended by salicylidene, aminophenol and aminothiophenol moieties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12743","12756","10.1039/c5dt00944h","","x-ray","0.71073","MoKα","","0.0666","0.0439","","","0.1089","0.1196","","","","","","1.047","","","","has coordinates,has disorder","143689","2020-10-21","18:00:00",""
"7035405","8.3771","0.0008","14.095","0.0014","13.6352","0.0015","90","","92.975","0.006","90","","1607.8","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cu Fe N O12 -","- C8 H6 Cu Fe N O12 -","- C32 H24 Cu4 Fe4 N4 O48 -","4","0.5","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Ptak, Maciej","Synthesis and characterization of novel niccolites [(CH3)2NH2][Fe(III)M(II)(HCOO)6] (M(II) = Zn, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13234","13241","10.1039/c5dt01608h","powder diffraction","x-ray","1.5418","","","0.1415","0.1131","","0.1196","0.115","","","","3.46","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035406","8.1856","0.0007","8.1856","0.0007","13.6517","0.0017","90","","90","","120","","792.17","0.14","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe N Ni O12 -","- C8 H14.0016 Fe1.002 N1.0002 Ni0.997 O12 -","- C16 H28.0032 Fe2.004 N2.0004 Ni1.994 O24 -","2","0.166667","","Ciupa, Aneta; Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Ptak, Maciej","Synthesis and characterization of novel niccolites [(CH3)2NH2][Fe(III)M(II)(HCOO)6] (M(II) = Zn, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13234","13241","10.1039/c5dt01608h","","","0.71073","MoKα","","0.0602","0.0411","","","0.0751","0.0804","","","","","","1.099","","","","has coordinates","153198","2020-10-21","18:00:00",""
"7035407","11.362","0.006","23.93","0.012","12.192","0.006","90","","108.863","0.009","90","","3137","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl2 Cu N5 O8 -","- C33 H31 Cl2 Cu N5 O8 -","- C132 H124 Cl8 Cu4 N20 O32 -","4","1","","Jaividhya, Paramasivam; Ganeshpandian, Mani; Dhivya, Rajkumar; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","Fluorescent mixed ligand copper(ii) complexes of anthracene-appended Schiff bases: studies on DNA binding, nuclease activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11997","12010","10.1039/c5dt00899a","","","0.71073","MoKα","","0.1332","0.1014","","","0.2303","0.2492","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035408","11.9969","0.0017","13.3981","0.0019","13.9695","0.0014","81.375","0.01","70.669","0.011","85.884","0.011","2094.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl2 N8 O8 Os -","- C26 H22 Cl2 N8 O8 Os -","- C52 H44 Cl4 N16 O16 Os2 -","2","1","","Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13204","13219","10.1039/c5dt01763g","","","1.54184","CuKα","","0.1096","0.088","","","0.2363","0.2633","","","","","","1.017","","","","has coordinates","153189","2020-10-21","18:00:00",""
"7035409","17.1087","0.001","14.5365","0.0006","19.9638","0.0011","90","","106.705","0.006","90","","4755.5","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H36 Cl2 N12 O8 Os2 -","- C46 H36 Cl2 N12 O8 Os2 -","- C184 H144 Cl8 N48 O32 Os8 -","4","0.5","","Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13204","13219","10.1039/c5dt01763g","","","1.54184","CuKα","","0.0751","0.0474","","","0.1092","0.1299","","","","","","1.031","","","","has coordinates","153189","2020-10-21","18:00:00",""
"7035410","29.488","0.005","29.488","0.005","16.688","0.005","90","0.005","90","0.005","90","0.005","14511","6","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C26 H20 N8 Os -","- C26 H20 N8 Os -","- C416 H320 N128 Os16 -","16","","","Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13204","13219","10.1039/c5dt01763g","","","1.5418","CuKα","","0.0774","0.049","","","0.146","0.1623","","","","","","0.93","","","","has coordinates","153189","2020-10-21","18:00:00",""
"7035411","5.7931","0","5.7931","0","18.9035","0.0002","90","","90","","120","","549.408","0.006","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Perovskite","- Ba8 Nb6 O24 Zn -","- Ba8 Nb6 O24 Zn0.083 -","- Ba8 Nb6 O24 Zn0.083 -","1","0.0833333","","Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping","Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13173","13185","10.1039/c5dt00859j","","","","","","","","","","","","","","","","","","","","","has coordinates","209421","2020-10-21","18:00:00",""
"7035412","10.08267","0.00002","10.08267","0.00002","19.05159","0.00006","90","","90","","120","","1677.31","0.007","","","","","","","","","","","","5","P 63 c m","P 6c -2","185","","","Perovskite","- Ba8 Nb5.1 O24 Sb0.9 Zn -","- Ba8 Nb5.1 O24 Sb0.9 Zn -","- Ba24 Nb15.3 O72 Sb2.7 Zn3 -","3","0.25","","Lu, Fengqi; Wang, Xiaoming; Pan, Zhengwei; Pan, Fengjuan; Chai, Shiqiang; Liang, Chaolun; Wang, Quanchao; Wang, Jing; Fang, Liang; Kuang, Xiaojun; Jing, Xiping","Nanometer-scale separation of d(10) Zn(2+)-layers and twin-shift competition in Ba8ZnNb6O24-based 8-layered hexagonal perovskites.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13173","13185","10.1039/c5dt00859j","","","","","","","","","","","","","","","","","","","","","has coordinates","190380","2020-10-21","18:00:00",""
"7035413","10.4157","0.0007","11.8752","0.001","19.1618","0.0012","102.897","0.006","96.838","0.005","97.923","0.006","2260.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 Cl9 Hg3 N4 O4 -","- C34 H43 Cl9 Hg3 N4 O4 -","- C68 H86 Cl18 Hg6 N8 O8 -","2","1","","Mandal, Sandip; Banerjee, Arnab; Ghosh, Debasree; Mandal, Dipak Kumar; Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Garcia, Yann; Das, Debasis","An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13186","13195","10.1039/c5dt01854d","","","0.71073","MoKα","","0.0481","0.0406","","","0.0993","0.1039","","","","","","1.055","","","","has coordinates","153194","2020-10-21","18:00:00",""
"7035414","10.33","0.0003","10.3823","0.0004","12.3413","0.0005","90","","90","","90","","1323.59","0.08","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C12 H28 As2 F7 Ga4 N4 O14 -","- C12 H28 As2 F7 Ga4 N4 O14 -","- C24 H56 As4 F14 Ga8 N8 O28 -","2","0.5","","Marshall, Kayleigh L.; Armstrong, Jennifer A.; Weller, Mark T.","Gallium fluoroarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12804","12811","10.1039/c5dt01094b","","","1.54184","CuKα","","0.0552","0.0525","","","0.1351","0.1379","","","","","","1.034","","","","has coordinates","143701","2020-10-21","18:00:00",""
"7035415","12.9563","0.0002","13.6686","0.0002","41.1833","0.0005","90","","90","","90","","7293.34","0.18","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 As F8 Ga2 N4 O5 -","- C8 H24 As F8 Ga2 N4 O5 -","- C128 H384 As16 F128 Ga32 N64 O80 -","16","2","","Marshall, Kayleigh L.; Armstrong, Jennifer A.; Weller, Mark T.","Gallium fluoroarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12804","12811","10.1039/c5dt01094b","","","1.54184","CuKα","","0.0602","0.0532","","","0.1387","0.1458","","","","","","1.047","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035416","9.1105","0.0005","10.3931","0.0006","24.1374","0.0014","93.0205","0.0019","93.3464","0.0018","91.2982","0.0019","2277.7","0.2","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H55 Br2 Fe N3 O5 P2 -","- C46 H55 Br2 Fe N3 O5 P2 -","- C92 H110 Br4 Fe2 N6 O10 P4 -","2","2","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0553","0.0327","","","0.0347","0.0379","","","","0.93","0.93","0.87","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035417","9.4904","0.0009","10.327","0.0009","25.295","0.002","90","","98.334","0.003","90","","2452.9","0.4","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H59 Cl2 Fe N3 O5 P2 -","- C48 H59 Cl2 Fe N3 O5 P2 -","- C96 H118 Cl4 Fe2 N6 O10 P4 -","2","1","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0529","0.0441","","","0.0471","0.0479","","","","1.96","1.96","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035418","22.454","0.004","22.454","0.004","10.598","0.004","90","","90","","90","","5343","2","100","","100","","","","","","","","","7","P 41","P 4w","76","","","","- C51 H63 Br2 Fe N3 O7 P2 -","- C51 H63 Br2 Fe N3 O7 P2 -","- C204 H252 Br8 Fe4 N12 O28 P8 -","4","1","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0462","0.0475","","","","1.89","1.89","1.77","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035423","24.16","0.005","15.24","0.003","24.342","0.006","90","","107.484","0.017","90","","8549","3","95","2","95","2","","","","","","","synthetical product","5","I 1 2/a 1","-I 2ya","15","Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}","Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}","","- C96 H104 Li4 O10 Si4 -","- C96 H104 Li4 O10 Si4 -","- C384 H416 Li16 O40 Si16 -","4","0.5","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71069","MoKα","","0.1027","0.0545","","","0.1054","0.1251","","","","","","1.013","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035424","9.0956","0.0003","36.8415","0.0011","12.6169","0.0004","90","","101.949","0.001","90","","4136.3","0.2","100","2","100","2","","","","","","","synthetical product","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol","","- C48 H53.7952 I0.1024 O4.744 Si1.8976 -","- C48 H53.7952 I0.1024 O4.744 Si1.8976 -","- C192 H215.181 I0.4096 O18.976 Si7.5904 -","4","1","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71073","MoKα","","0.0624","0.0513","","","0.1122","0.1171","","","","","","1.114","","","","has coordinates,has disorder","143705","2020-10-21","18:00:00",""
"7035425","10.69","0.0004","10.9103","0.0004","21.4916","0.0007","91.6194","0.0015","101.238","0.0015","113.362","0.0013","2241.41","0.14","100","2","100","2","","","","","","","synthetical product","4","P -1","-P 1","2","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol tetrahydrofuran adduct","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol tetrahydrofuran adduct","","- C52 H62 O6 Si2 -","- C52 H62 O6 Si2 -","- C104 H124 O12 Si4 -","2","1","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71073","MoKα","","0.0467","0.0377","","","0.101","0.1073","","","","","","1.031","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035426","11.0238","0.0006","11.3839","0.0006","11.6765","0.0006","61.913","0.002","66.372","0.002","65.614","0.002","1137.92","0.11","100","2","100","2","","","","","","","synthetical product","5","P 1","P 1","1","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct","1,3-bis(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-ter-phenyl]-2'-yl)-1,1,3,3-disiloxanetetrol dimethylformamide adduct","","- C51 H61 N O6 Si2 -","- C51 H61 N O6 Si2 -","- C51 H61 N O6 Si2 -","1","1","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71073","MoKα","","0.054","0.0456","","","0.1168","0.1237","","","","","","1.023","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035427","22.4147","0.0011","16.9077","0.0011","46.234","0.002","90","","99.496","0.004","90","","17281.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H109 Na2 O10 Si4 -","- C99 H109 Na2 O10 Si4 -","- C792 H872 Na16 O80 Si32 -","8","1","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","1.54186","CuKα","","0.1912","0.0606","","","0.1108","0.1474","","","","","","0.781","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035428","21.2485","0.0004","8.1373","0.0001","21.7857","0.0004","90","","106.726","0.002","90","","3607.5","0.11","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N2 P4 -","- C38 H50 N2 P4 -","- C152 H200 N8 P16 -","4","0.5","","Musina, Elvira I.; Fesenko, Tatiana I.; Strelnik, Igor D.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Synthesis and unique reversible splitting of 14-membered cyclic aminomethylphosphines on to 7-membered heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13565","13572","10.1039/c5dt01910a","","","0.71073","MoKα","","0.0438","0.0322","","","0.0893","0.0923","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035429","34.442","0.005","7.3616","0.001","12.1624","0.0016","90","","90","","90","","3083.8","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.078 Mo O2.922 -","- C80 H160 Cl24.624 Mo8 O23.376 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0168","0.0168","","","0.0425","0.0425","","","","","","1.209","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035430","34.417","0.006","7.3606","0.0013","12.169","0.002","90","","90","","90","","3082.8","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.1 Mo O2.9 -","- C10 H20 Cl3.098 Mo O2.902 -","- C80 H160 Cl24.784 Mo8 O23.216 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0242","0.022","","","0.053","0.054","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035431","34.424","0.005","7.3591","0.001","12.1582","0.0016","90","","90","","90","","3080","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.076 Mo O2.924 -","- C80 H160 Cl24.608 Mo8 O23.392 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0345","0.0348","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035432","34.434","0.003","7.3641","0.0007","12.1545","0.0011","90","","90","","90","","3082.1","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.08 Mo O2.92 -","- C10 H20 Cl3.086 Mo O2.914 -","- C80 H160 Cl24.688 Mo8 O23.312 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0176","0.0171","","","0.0396","0.0398","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035433","34.402","0.007","7.3748","0.0015","12.165","0.003","90","","90","","90","","3086.4","1.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl3.05 Mo O2.95 -","- C10 H20 Cl3.054 Mo O2.946 -","- C80 H160 Cl24.432 Mo8 O23.568 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.021","0.0207","","","0.052","0.0522","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035434","34.242","0.005","7.415","0.0011","12.1939","0.0018","90","","90","","90","","3096.1","0.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.054","0.0433","","","0.1039","0.1096","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035435","34.184","0.006","7.4247","0.0012","12.202","0.002","90","","90","","90","","3096.9","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0273","0.027","","","0.0729","0.0731","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035436","34.185","0.015","7.413","0.003","12.197","0.005","90","","90","","90","","3091","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0358","0.0353","","","0.0947","0.0951","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035437","34.19","0.06","7.486","0.012","12.28","0.02","90","","90","","90","","3143","9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Di Nicola, Francesco Paolo; Lanzi, Massimiliano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Is bond stretch isomerism in mononuclear transition metal complexes a real issue? The misleading case of the MoCl5/tetrahydropyran reaction system.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12653","12659","10.1039/c5dt01378j","","","0.71073","MoKα","","0.0421","0.0372","","","0.0821","0.0851","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035438","12.8008","0.0002","16.6628","0.0003","17.8668","0.0003","90","","99.683","0.0017","90","","3756.65","0.11","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H71 N13 O4 P4 -","- C86 H71 N13 O4 P4 -","- C172 H142 N26 O8 P8 -","2","0.5","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","0.71073","MoKα","","0.0534","0.0445","","0.1425","0.1325","0.1425","","","","","","0.8507","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035439","23.4908","0.0005","11.0856","0.0002","25.9333","0.0005","90","","90.8818","0.0018","90","","6752.5","0.2","175","","175","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N6 O2 P2 -","- C36 H38 N6 O2 P2 -","- C288 H304 N48 O16 P16 -","8","1","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","0.71073","MoKα","","0.0614","0.0486","","0.0602","0.0552","0.0552","","","","","","1.0885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035440","20.0222","0.0003","18.8861","0.0004","22.6056","0.0004","90","","94.2374","0.0016","90","","8524.7","0.3","175","","175","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl5 N6 P2 Pd -","- C43 H35 Cl5 N6 P2 Pd -","- C344 H280 Cl40 N48 P16 Pd8 -","8","2","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","0.71073","MoKα","","0.0727","0.0438","","0.0313","0.0247","0.0247","","","","","","1.1177","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035441","22.5985","0.0002","10.81823","0.00012","20.4451","0.0003","90","","90.086","0.001","90","","4998.33","0.1","175","","175","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N10 P2 Pd -","- C50 H46 Cl2 N10 P2 Pd -","- C200 H184 Cl8 N40 P8 Pd4 -","4","1","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","1.5418","CuKα","","0.0487","0.0422","","0.0494","0.0408","0.0408","","","","","","0.9571","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035442","25.778","0.005","17.954","0.005","19.364","0.005","90","0.005","104.467","0.005","90","0.005","8678","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl2 N6 P2 Pt -","- C42 H34 Cl2 N6 P2 Pt -","- C336 H272 Cl16 N48 P16 Pt8 -","8","2","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","0.71073","MoKα","","0.0455","0.0341","","","0.077","0.081","","","","","","1.043","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7035443","14.3765","0.0003","14.3894","0.0003","16.3672","0.0003","113.044","0.002","95.93","0.002","111.798","0.002","2767.68","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H49 Cl10 Ir N6 P2 -","- C53 H49 Cl10 Ir N6 P2 -","- C106 H98 Cl20 Ir2 N12 P4 -","2","1","","Laborde, Coralie; Wei, Muh-Mei; van der Lee, Arie; Deydier, Eric; Daran, Jean-Claude; Volle, Jean-Noël; Poli, Rinaldo; Pirat, Jean-Luc; Manoury, Eric; Virieux, David","Double [3 + 2]-dimerisation cascade synthesis of bis(triazolyl)bisphosphanes, a new scaffold for bidentate bisphosphanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12539","12545","10.1039/c5dt02197a","","","0.71073","MoKα","","0.0328","0.0262","","","0.0598","0.0629","","","","","","1.038","","","","has coordinates","143692","2020-10-21","18:00:00",""
"7035444","10.7069","0.0001","14.1228","0.0002","17.6276","0.0003","98.9703","0.0006","105.829","0.0007","105.993","0.0006","2386.97","0.06","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H63 B Cs F Fe N2 O6 -","- C48 H63 B Cs F Fe N2 O6 -","- C96 H126 B2 Cs2 F2 Fe2 N4 O12 -","2","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","0.71073","MoKα","","0.0724","0.0432","","0.1167","0.0889","0.1167","","","","","","0.9522","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035445","13.0828","0.0002","14.7366","0.0002","14.9552","0.0003","60.8147","0.0007","72.4211","0.0007","69.3532","0.0009","2325.53","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H62 B Fe K N2 O6 -","- C49 H62 B Fe K N2 O6 -","- C98 H124 B2 Fe2 K2 N4 O12 -","2","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","0.71073","MoKα","","0.0755","0.0459","","0.1215","0.0938","0.1215","","","","","","0.9555","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035446","11.5576","0.0001","12.4533","0.0001","20.8917","0.0003","103.389","0.0004","90.8717","0.0004","101.9","0.0004","2856.08","0.05","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H62 B Cl9 Fe K N O6 -","- C50 H62 B Cl9 Fe K N O6 -","- C100 H124 B2 Cl18 Fe2 K2 N2 O12 -","2","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","0.71073","MoKα","","0.0757","0.0524","","0.0964","0.0805","0.0964","","","","","","0.9637","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035447","12.3296","0.0001","12.3296","0.0001","24.76","0.0003","90","","90","","120","","3259.71","0.05","150","","150","","","","","","","","","6","P 32","P 32","145","","","","- C50 H69 B F Fe N -","- C50 H69 B F Fe N -","- C150 H207 B3 F3 Fe3 N3 -","3","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","1.5418","CuKα","","0.0354","0.0341","","0.0926","0.0885","0.092","","","","","","0.9938","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035448","11.3315","0.0004","11.9625","0.0003","18.7698","0.0005","77.888","0.002","74.092","0.003","64.932","0.003","2203.53","0.13","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C50 H71 B F Fe N -","- C50 H71 B F Fe N -","- C100 H142 B2 F2 Fe2 N2 -","2","2","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","1.5418","CuKα","","0.0589","0.0552","","0.1538","0.1493","0.1538","","","","","","0.9838","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035449","7.4511","0.0001","11.4935","0.0002","16.8162","0.0003","71.4209","0.0008","83.5154","0.0008","77.8551","0.0008","1332.88","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 B Fe -","- C34 H35 B Fe -","- C68 H70 B2 Fe2 -","2","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","0.71073","MoKα","","0.0659","0.0454","","0.1117","0.0927","0.1117","","","","","","0.929","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035450","14.1028","0.0003","14.4095","0.0003","15.18","0.0003","67.3715","0.0009","70.3692","0.0008","82.3985","0.0011","2681.81","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 B Fe -","- C34 H35 B Fe -","- C136 H140 B4 Fe4 -","4","2","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","0.71073","MoKα","","0.0615","0.0424","","0.1","0.0862","0.1","","","","","","0.9344","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035451","8.11722","0.00006","11.63718","0.0001","28.9944","0.0002","90","","94.504","0.0007","90","","2730.4","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B Fe -","- C34 H35 B Fe -","- C136 H140 B4 Fe4 -","4","1","","Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon","Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13049","13059","10.1039/c5dt01955a","","","1.54184","CuKα","","0.0344","0.0319","","0.0742","0.0712","0.0741","","","","","","0.914","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035452","11.36","0.004","13.726","0.005","19.888","0.007","88.787","0.014","86.1","0.02","79.312","0.018","3040.1","1.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 O3 Si3 -","- C32 H32 O3 Si3 -","- C128 H128 O12 Si12 -","4","2","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Albright, Haley; Song, Zhegang; Zhang, Chaocan; Tang, Ben Zhong; West, Robert","AEE-active cyclic tetraphenylsilole derivatives with σim 100% solid-state fluorescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12970","12975","10.1039/c5dt01846c","","x-ray","0.71073","MoKα","K-L~3~","0.0564","0.0399","","","0.0979","0.1062","","","","","","1.046","","","","has coordinates","153205","2020-10-21","18:00:00",""
"7035453","13.033","0.008","19.851","0.011","22.521","0.011","90","","90","","90","","5827","6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O4 Si4 -","- C70 H56 O4 Si4 -","- C280 H224 O16 Si16 -","4","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Albright, Haley; Song, Zhegang; Zhang, Chaocan; Tang, Ben Zhong; West, Robert","AEE-active cyclic tetraphenylsilole derivatives with σim 100% solid-state fluorescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12970","12975","10.1039/c5dt01846c","","x-ray","0.71073","MoKα","K-L~3~","0.0837","0.0567","","","0.1231","0.1345","","","","","","1.028","","","","has coordinates,has disorder","153205","2020-10-21","18:00:00",""
"7035454","10.476","0.005","12.979","0.006","24.589","0.011","104.557","0.015","92.741","0.015","100.26","0.02","3169","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C74.3 H66.74 O5.07 Si4 -","- C74.296 H66.74 O5.074 Si4 -","- C148.592 H133.48 O10.148 Si8 -","2","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Albright, Haley; Song, Zhegang; Zhang, Chaocan; Tang, Ben Zhong; West, Robert","AEE-active cyclic tetraphenylsilole derivatives with σim 100% solid-state fluorescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12970","12975","10.1039/c5dt01846c","","x-ray","0.71073","MoKα","","0.1031","0.075","","","0.1415","0.1497","","","","","","1.213","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035455","15.1529","0.0003","15.9528","0.0004","18.0296","0.0003","109.253","0.002","109.589","0.002","100.914","0.002","3649.43","0.17","90","0.9","90","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 As12 O100 S12 Th8 -","- C72 H108 As12 O100 S12 Th8 -","- C72 H108 As12 O100 S12 Th8 -","1","0.5","","Qian, Xiang-Ying; Zhou, Tian-Hua; Mao, Jiang-Gao","New thorium(iv)-arsonates with a [Th8O13](6+) octanuclear core.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13573","13580","10.1039/c5dt01370d","","","1.54178","CuKα","","0.0349","0.0321","","","0.0873","0.0898","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035456","15.909","0.0002","26.1828","0.0004","30.3819","0.0006","90","","90","","90","","12655.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H65 As12 O78.5 S12 Th8 -","- C72 H65 As12 O78.5 S12 Th8 -","- C288 H260 As48 O314 S48 Th32 -","4","1","","Qian, Xiang-Ying; Zhou, Tian-Hua; Mao, Jiang-Gao","New thorium(iv)-arsonates with a [Th8O13](6+) octanuclear core.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13573","13580","10.1039/c5dt01370d","","","1.54178","CuKα","","0.0821","0.0715","","","0.1865","0.2005","","","","","","1.044","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035457","42.1531","0.0001","42.1531","0.0001","42.1531","0.0001","90","","90","","90","","74901.2","0.3","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C72 H117 As12 O104.5 S12 Th8 -","- C72 H117 As12 O104.5 S12 Th8 -","- C1152 H1872 As192 O1672 S192 Th128 -","16","0.166667","","Qian, Xiang-Ying; Zhou, Tian-Hua; Mao, Jiang-Gao","New thorium(iv)-arsonates with a [Th8O13](6+) octanuclear core.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13573","13580","10.1039/c5dt01370d","","","1.54178","CuKα","","0.0647","0.0516","","","0.1222","0.1342","","","","","","1.092","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035458","10.1515","0.0001","11.7955","0.0001","21.0988","0.0002","96.655","0.001","94.507","0.001","110.382","0.001","2333.01","0.04","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H75 Al P Si4 -","- C38 H75 Al P Si4 -","- C76 H150 Al2 P2 Si8 -","2","1","","Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner","Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12670","12679","10.1039/c5dt01607j","","","1.54178","CuKα","","0.0464","0.0434","","","0.1247","0.1287","","","","","","1.033","","","","has coordinates,has disorder","143679","2020-10-21","18:00:00",""
"7035459","14.6633","0.0001","21.8256","0.0002","15.4624","0.0002","90","","90.094","0.001","90","","4948.51","0.09","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H77 Al P2 Si4 -","- C44 H77 Al P2 Si4 -","- C176 H308 Al4 P8 Si16 -","4","1","","Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner","Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12670","12679","10.1039/c5dt01607j","","","1.54178","CuKα","","0.0448","0.0399","","","0.1088","0.1127","","","","","","1.027","","","","has coordinates,has disorder","143679","2020-10-21","18:00:00",""
"7035460","10.175","0.0003","11.9208","0.0004","16.3031","0.0005","90","","90","","90","","1977.47","0.11","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 P -","- C21 H29 P -","- C84 H116 P4 -","4","1","","Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner","Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12670","12679","10.1039/c5dt01607j","","","0.71073","MoKα","","0.05","0.045","","","0.1125","0.1158","","","","","","1.055","","","","has coordinates,has disorder","143679","2020-10-21","18:00:00",""
"7035461","18.4546","0.0016","13.0416","0.0011","20.2605","0.0017","90","","111.67","0.002","90","","4531.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H74 Al P Si4 -","- C36.995 H73.988 Al P Si4 -","- C147.98 H295.952 Al4 P4 Si16 -","4","1","","Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner","Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12670","12679","10.1039/c5dt01607j","","","0.71073","MoKα","","0.0526","0.0433","","","0.1208","0.1291","","","","","","1.024","","","","has coordinates,has disorder","143679","2020-10-21","18:00:00",""
"7035462","17.455","0.0011","17.5918","0.0009","19.7955","0.0011","90","","104.96","0.007","90","","5872.5","0.6","100","0.13","100","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 Eu N6 O10 -","- C30 H18 Eu N6 O10 -","- C240 H144 Eu8 N48 O80 -","8","1","","Zhang, Jun; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiao-Fei; Lu, Can-Zhong","Protonation effect on ligands in EuL: a luminescent switcher for fast naked-eye detection of HCl.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13586","13591","10.1039/c5dt01791b","","","0.71073","MoKα","","0.0593","0.052","","","0.1453","0.1498","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035463","17.4","0.005","17.775","0.005","19.987","0.006","90","","104.563","0.005","90","","5983","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N6 O10 Tb -","- C30 H18 N6 O10 Tb -","- C240 H144 N48 O80 Tb8 -","8","1","","Zhang, Jun; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiao-Fei; Lu, Can-Zhong","Protonation effect on ligands in EuL: a luminescent switcher for fast naked-eye detection of HCl.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13586","13591","10.1039/c5dt01791b","","","0.71073","MoKα","","0.0694","0.0618","","","0.1597","0.1655","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035464","8.4489","0.0007","8.9646","0.0007","9.2306","0.0005","91.897","0.005","97.303","0.005","95.599","0.006","689.42","0.09","99.98","0.18","99.98","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C30 H26 Cl2 N4 O6 -","2","1","","Zhang, Jun; Yang, Wen-Bin; Wu, Xiao-Yuan; Kuang, Xiao-Fei; Lu, Can-Zhong","Protonation effect on ligands in EuL: a luminescent switcher for fast naked-eye detection of HCl.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13586","13591","10.1039/c5dt01791b","","","1.54184","CuKα","","0.0506","0.0418","","","0.1086","0.116","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035465","13.582","0.0004","10.8173","0.0003","14.7037","0.0005","90","","110.628","0.001","90","","2021.78","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17.8 Co2 N O10.9 -","- C18 H17.8 Co2 N O10.9 -","- C72 H71.2 Co8 N4 O43.6 -","4","1","","Cui, Xin; Xu, Mei-Chen; Zhang, Ling-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Solvent-free heterogeneous catalysis for cyanosilylation in a dynamic cobalt-MOF.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12711","12716","10.1039/c5dt01456e","","","0.71073","MoKα","","0.033","0.0299","","","0.0782","0.0809","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035466","13.5497","0.0007","10.8567","0.0004","14.6263","0.0007","90","","109.784","0.006","90","","2024.6","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.75 H16.72 Co2 N O10.13 -","- C17.75 H16.71 Co2 N O10.13 -","- C71 H66.84 Co8 N4 O40.52 -","4","1","","Cui, Xin; Xu, Mei-Chen; Zhang, Ling-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Solvent-free heterogeneous catalysis for cyanosilylation in a dynamic cobalt-MOF.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12711","12716","10.1039/c5dt01456e","","","0.71073","MoKα","","0.0767","0.0706","","","0.1574","0.1596","","","","","","1.293","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035467","13.4701","0.0013","10.8298","0.0006","14.6883","0.0011","90","","109.83","0.01","90","","2015.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H15.5 Co2 N0.75 O9.75 -","- C17.5 H15.5 Co2 N0.75 O9.75 -","- C70 H62 Co8 N3 O39 -","4","1","","Cui, Xin; Xu, Mei-Chen; Zhang, Ling-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Solvent-free heterogeneous catalysis for cyanosilylation in a dynamic cobalt-MOF.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12711","12716","10.1039/c5dt01456e","","","0.71073","MoKα","","0.079","0.0657","","","0.1518","0.1573","","","","","","1.264","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035468","8.5827","0.0003","10.6301","0.0004","13.4395","0.0005","95.354","0.001","95.638","0.001","112.311","0.001","1117.45","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu3 N2 O17 -","- C18 H18 Cu3 N2 O17 -","- C36 H36 Cu6 N4 O34 -","2","1","","Chen, Ming; Tang, Xiao-Yan; Yang, Shui-Ping; Li, Huan-Huan; Zhao, Hai-Qing; Jiang, Zhi-Hong; Chen, Jin-Xiang; Chen, Wen-Hua","Five water-soluble zwitterionic copper(ii)-carboxylate polymers: role of dipyridyl coligands in enhancing the DNA-binding, cleaving and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13369","13377","10.1039/c5dt01648g","","","0.71073","MoKα","","0.0382","0.0303","","","0.0797","0.0833","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035469","9.2384","0.0018","7.4454","0.0015","23.041","0.006","90","","113.23","0.03","90","","1456.4","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cu N O10 -","- C9 H11 Cu N O10 -","- C36 H44 Cu4 N4 O40 -","4","1","","Chen, Ming; Tang, Xiao-Yan; Yang, Shui-Ping; Li, Huan-Huan; Zhao, Hai-Qing; Jiang, Zhi-Hong; Chen, Jin-Xiang; Chen, Wen-Hua","Five water-soluble zwitterionic copper(ii)-carboxylate polymers: role of dipyridyl coligands in enhancing the DNA-binding, cleaving and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13369","13377","10.1039/c5dt01648g","","","0.71073","MoKα","","0.0714","0.056","","","0.1651","0.1748","","","","","","1.15","","","","has coordinates","153199","2020-10-21","18:00:00",""
"7035470","9.1905","0.0005","7.7875","0.0004","27.5073","0.0015","90","","94.002","0.0008","90","","1963.92","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cu N3 O9 -","- C19 H19 Cu N3 O9 -","- C76 H76 Cu4 N12 O36 -","4","1","","Chen, Ming; Tang, Xiao-Yan; Yang, Shui-Ping; Li, Huan-Huan; Zhao, Hai-Qing; Jiang, Zhi-Hong; Chen, Jin-Xiang; Chen, Wen-Hua","Five water-soluble zwitterionic copper(ii)-carboxylate polymers: role of dipyridyl coligands in enhancing the DNA-binding, cleaving and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13369","13377","10.1039/c5dt01648g","","","0.71073","MoKα","","0.0398","0.0325","","","0.0785","0.0814","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035471","7.1654","0.0009","7.6594","0.0009","11.4555","0.0014","77.713","0.002","75.932","0.002","74.525","0.002","580.34","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Cu N O9 -","- C9 H11 Cu N O9 -","- C18 H22 Cu2 N2 O18 -","2","1","","Chen, Ming; Tang, Xiao-Yan; Yang, Shui-Ping; Li, Huan-Huan; Zhao, Hai-Qing; Jiang, Zhi-Hong; Chen, Jin-Xiang; Chen, Wen-Hua","Five water-soluble zwitterionic copper(ii)-carboxylate polymers: role of dipyridyl coligands in enhancing the DNA-binding, cleaving and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13369","13377","10.1039/c5dt01648g","","","0.71073","MoKα","","0.0341","0.0326","","","0.0863","0.0876","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035472","8.6748","0.0017","11.213","0.002","12.653","0.003","112.47","0.03","93.34","0.03","99.01","0.03","1113.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cu2 N6 O21 -","- C42 H40 Cu2 N6 O21 -","- C42 H40 Cu2 N6 O21 -","1","0.5","","Chen, Ming; Tang, Xiao-Yan; Yang, Shui-Ping; Li, Huan-Huan; Zhao, Hai-Qing; Jiang, Zhi-Hong; Chen, Jin-Xiang; Chen, Wen-Hua","Five water-soluble zwitterionic copper(ii)-carboxylate polymers: role of dipyridyl coligands in enhancing the DNA-binding, cleaving and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13369","13377","10.1039/c5dt01648g","","","0.71073","MoKα","","0.0709","0.0649","","","0.1702","0.1734","","","","","","1.115","","","","has coordinates,has disorder","153199","2020-10-21","18:00:00",""
"7035473","10.4645","0.0002","10.4645","0.0002","10.4645","0.0002","90","","90","","90","","1145.92","0.04","295","","295","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al6.9 Ba8 Si39.1 -","- Al6.9 Ba8 Si39.1 -","- Al6.9 Ba8 Si39.1 -","1","0.0208333","","Bobnar, Matej; Böhme, Bodo; Wedel, Michael; Burkhardt, Ulrich; Ormeci, Alim; Prots, Yurii; Drathen, Christina; Liang, Ying; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri","Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x = 6.9.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12680","12687","10.1039/c5dt01198a","","","0.71075","MoKα","","0.0384","0.0379","","0.0692","","0.0677","","","","","","3.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035474","13.18","0.003","16.887","0.004","24.3","0.005","90","","92.212","0.003","90","","5404","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 B F24 Li N6 -","- C50 H54 B F24 Li N6 -","- C200 H216 B4 F96 Li4 N24 -","4","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71073","MoKα","","0.1402","0.0836","","","0.1998","0.2379","","","","","","1.02","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035475","10.349","0.002","10.587","0.003","25.748","0.006","81.88","0.009","83.812","0.008","88.221","0.009","2776.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 B F24 K N6 -","- C50 H54 B F24 K N6 -","- C100 H108 B2 F48 K2 N12 -","2","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71075","MoKα","","0.0736","0.0495","","","0.1205","0.134","","","","","","1.025","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035476","10.3279","0.001","10.5938","0.001","25.779","0.002","81.581","0.003","83.317","0.003","88.067","0.003","2770.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 B F24 N6 Rb -","- C50 H54 B F24 N6 Rb -","- C100 H108 B2 F48 N12 Rb2 -","2","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71075","MoKα","","0.0717","0.0517","","","0.1323","0.1434","","","","","","1.053","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035477","43.534","0.003","12.7141","0.0009","21.2417","0.0015","90","","101.647","0.01","90","","11515.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B F24 K N6 -","- C50 H54 B F24 K N6 -","- C400 H432 B8 F192 K8 N48 -","8","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71075","MoKα","","0.163","0.1007","","","0.2506","0.2963","","","","","","1.02","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035478","12.729","0.002","12.7358","0.0017","18.368","0.004","79","0.01","89.445","0.011","63.418","0.007","2604.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 B F24 Li N4 O -","- C44 H40 B F24 Li N4 O -","- C88 H80 B2 F48 Li2 N8 O2 -","2","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71075","MoKα","","0.1195","0.0992","","","0.2832","0.3031","","","","","","1.061","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035479","12.7958","0.0009","12.8488","0.0009","18.2627","0.0013","89.433","0.004","79.005","0.004","64.414","0.003","2649.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 B F24 N4 Na O -","- C48 H48 B F24 N4 Na O -","- C96 H96 B2 F48 N8 Na2 O2 -","2","1","","Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia","Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13853","13866","10.1039/c5dt01865j","","","0.71075","MoKα","","0.1086","0.0784","","","0.2019","0.2249","","","","","","1.05","","","","has coordinates,has disorder","153178","2020-10-21","18:00:00",""
"7035480","15.6731","0.0006","11.7347","0.0004","17.4108","0.0006","90","","116.042","0.002","90","","2877.07","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N O2 P Pd -","- C36 H28 N O2 P Pd -","- C144 H112 N4 O8 P4 Pd4 -","4","1","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.0356","0.0262","","","0.0732","0.085","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035481","14.3819","0.0011","11.8875","0.0009","17.6698","0.0013","90","","112.09","0.004","90","","2799.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 N O P Pd -","- C35 H26 N O P Pd -","- C140 H104 N4 O4 P4 Pd4 -","4","1","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.1253","0.063","","","0.1418","0.1772","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035482","15.1395","0.0005","11.782","0.0004","17.5381","0.0006","90","","115.068","0.002","90","","2833.66","0.17","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl N O P Pd -","- C35 H25 Cl N O P Pd -","- C140 H100 Cl4 N4 O4 P4 Pd4 -","4","1","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.0466","0.0327","","","0.0802","0.0852","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035483","8.9539","0.0003","14.4207","0.0004","23.0345","0.0007","90","","91.811","0.002","90","","2972.76","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 N O P Pd -","- C39 H28 N O P Pd -","- C156 H112 N4 O4 P4 Pd4 -","4","1","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.0817","0.0464","","","0.1201","0.1473","","","","","","0.774","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035484","8.6555","0.0002","12.6136","0.0003","13.6905","0.0003","104.844","0.001","107.335","0.001","105.75","0.001","1277.47","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 N2 O4 P2 Pd2 -","- C62 H50 N2 O4 P2 Pd2 -","- C62 H50 N2 O4 P2 Pd2 -","1","0.5","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.0286","0.0246","","","0.0636","0.0662","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035485","14.3458","0.0004","15.7571","0.0005","26.8926","0.0008","90","","94.016","0.002","90","","6064.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 Pd -","- C24 H20 N2 O2.33333 Pd -","- C288 H240 N24 O28 Pd12 -","12","3","","Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh","Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13615","13632","10.1039/c5dt01564b","","","0.71073","MoKα","","0.057","0.0392","","","0.1044","0.1196","","","","","","0.933","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035486","17.1591","0.0015","17.1591","0.0015","24.633","0.002","90","","90","","120","","6281.1","0.9","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C49 H84 Co12 N30 O31 -","- C49 H84 Co12 N29.9994 O31.0002 -","- C98 H168 Co24 N59.9988 O62.0004 -","2","0.0833333","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping; Gao, En-Qing","A new cube-based dodecanuclear cobalt(ii) cluster with azide and tetrazolate ligands exhibiting ferromagnetic ordering.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13581","13585","10.1039/c5dt02032h","","","0.71073","MoKα","","0.1253","0.0849","","","0.24","0.2678","","","","","","1.013","","","","has coordinates,has disorder","153158","2020-10-21","18:00:00",""
"7035487","12.212","0.0007","11.9077","0.0007","17.0761","0.0009","90","","102.014","0.0009","90","","2428.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl4 Mo N3 O -","- C18 H25.805 Cl4 Mo N3 O -","- C72 H103.22 Cl16 Mo4 N12 O4 -","4","1","","Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.","Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13133","13140","10.1039/c5dt01799h","","","0.71073","MoKα","","0.0671","0.0447","","","0.1218","0.1372","","","","","","1.07","","","","has coordinates,has disorder","153208","2020-10-21","18:00:00",""
"7035488","12.7371","0.0004","25.9749","0.0008","24.2388","0.0008","90","","100.067","0.0005","90","","7895.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H78 Cl3 Mo4 N13 O6 Si -","- C67 H78 Cl3 Mo4 N13 O6 Si -","- C268 H312 Cl12 Mo16 N52 O24 Si4 -","4","1","","Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.","Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13133","13140","10.1039/c5dt01799h","","","0.71073","MoKα","","0.0693","0.0453","","","0.11","0.1271","","","","","","1.149","","","","has coordinates,has disorder","153208","2020-10-21","18:00:00",""
"7035489","14.6075","0.0003","15.3236","0.0003","32.3586","0.0005","90","","90","","90","","7243.1","0.2","148","2","148","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cl2 Mo N2 O3 -","- C16 H18 Cl2 Mo N2 O3 -","- C256 H288 Cl32 Mo16 N32 O48 -","16","2","","Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.","Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13133","13140","10.1039/c5dt01799h","","","0.71073","MoKα","","0.0622","0.0372","","","0.0692","0.0791","","","","","","1.046","","","","has coordinates","153208","2020-10-21","18:00:00",""
"7035490","10.618","0.006","22.59","0.011","15.663","0.008","90","","103.97","0.009","90","","3646","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Ag F3 N2 O2 -","- C41 H48 Ag F3 N2 O2 -","- C164 H192 Ag4 F12 N8 O8 -","4","1","","Chen, Shouxiong; Huang, Yangjie; Fang, Xin; Li, Haohong; Zhang, Zhongxing; Hor, T. S. Andy; Weng, Zhiqiang","Aryl-BIAN-ligated silver(i) trifluoromethoxide complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19682","19686","10.1039/c5dt02078f","","","0.71073","MoKα","","0.0805","0.073","","","0.1892","0.1962","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035491","11.9262","0.0014","12.4678","0.0015","13.3115","0.0016","76.86","0.002","82.601","0.002","86.546","0.002","1910.5","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 Cl6 N O8 Ru2 -","- C26 H52 Cl6 N O8 Ru2 -","- C52 H104 Cl12 N2 O16 Ru4 -","2","1","","Hiraoka, Yuya; Ikeue, Takahisa; Sakiyama, Hiroshi; Guégan, Frédéric; Luneau, Dominique; Gillon, Béatrice; Hiromitsu, Ichiro; Yoshioka, Daisuke; Mikuriya, Masahiro; Kataoka, Yusuke; Handa, Makoto","An unprecedented up-field shift in the (13)C NMR spectrum of the carboxyl carbons of the lantern-type dinuclear complex TBA[Ru2(O2CCH3)4Cl2] (TBA(+) = tetra(n-butyl)ammonium cation).","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13439","13443","10.1039/c5dt01680k","","","0.71073","MoKα","","0.0364","0.031","","","0.0807","0.0832","","","","","","0.908","","","","has coordinates,has disorder","153149","2020-10-21","18:00:00",""
"7035492","15.827","0.006","12.689","0.002","20.032","0.007","90","","109.81","0.03","90","","3785","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H66 N2 O2 Zn2 -","- C40 H66 N2 O2 Zn2 -","- C160 H264 N8 O8 Zn8 -","4","0.5","","Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.","Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13700","13715","10.1039/c5dt01553g","","","1.54178","CuKα","","0.0503","0.0486","","","0.1373","0.139","","","","","","1.062","","","","has coordinates","153150","2020-10-21","18:00:00",""
"7035493","15.727","0.009","13.996","0.007","15.894","0.009","90","","90","","90","","3499","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H54 N2 O2 Zn2 -","- C40 H54 N2 O2 Zn2 -","- C160 H216 N8 O8 Zn8 -","4","1","","Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.","Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13700","13715","10.1039/c5dt01553g","","","0.71073","MoKα","","0.1202","0.0663","","","0.142","0.1583","","","","","","0.894","","","","has coordinates","153150","2020-10-21","18:00:00",""
"7035494","6.519","0.005","26.13","0.02","9.596","0.006","90","","94.95","0.04","90","","1629","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C72 H116 N4 O4 -","4","1","","Jędrzkiewicz, D; Ejfler, J.; Gulia, N.; John, Ł; Szafert, S.","Designing ancillary ligands for heteroleptic/homoleptic zinc complex formation: synthesis, structures and application in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13700","13715","10.1039/c5dt01553g","","","0.71073","MoKα","","0.0721","0.0489","","","0.099","0.1088","","","","","","1.044","","","","has coordinates","153150","2020-10-21","18:00:00",""
"7035495","10.656","0.0009","17.209","0.0016","14.1376","0.0013","90","","102.549","0.002","90","","2530.6","0.4","295","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 B Ir N6 O2 -","- C22 H34 B Ir N6 O2 -","- C88 H136 B4 Ir4 N24 O8 -","4","1","","Morales-Cerón, Judith P; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vásquez-Pérez, José M","Synthesis of Ir(iii) complexes with Tp(Me2) and acac ligands and their reactivity with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13881","13889","10.1039/c5dt01937k","","","0.71073","MoKα","","0.0754","0.0468","","","0.1104","0.1341","","","","","","1.064","","","","has coordinates","153177","2020-10-21","18:00:00",""
"7035496","12.9841","0.0002","14.2878","0.0002","14.032","0.0003","90","","97.2716","0.0015","90","","2582.2","0.08","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B Ir N6 O2 -","- C24 H36 B Ir N6 O2 -","- C96 H144 B4 Ir4 N24 O8 -","4","1","","Morales-Cerón, Judith P; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vásquez-Pérez, José M","Synthesis of Ir(iii) complexes with Tp(Me2) and acac ligands and their reactivity with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13881","13889","10.1039/c5dt01937k","","x-ray","0.71073","MoKα","","0.0525","0.0448","","","0.1188","0.1295","","","","","","1.128","","","","has coordinates","153177","2020-10-21","18:00:00",""
"7035497","11.8577","0.0005","16.3125","0.0007","18.7394","0.0008","90","","103.237","0.001","90","","3528.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B Br5 Ir N6 O2 -","- C26 H39 B Br5 Ir N6 O2 -","- C104 H156 B4 Br20 Ir4 N24 O8 -","4","1","","Morales-Cerón, Judith P; Salazar-Pereda, Verónica; Mendoza-Espinosa, Daniel; Alvarado-Rodríguez, José G; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vásquez-Pérez, José M","Synthesis of Ir(iii) complexes with Tp(Me2) and acac ligands and their reactivity with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13881","13889","10.1039/c5dt01937k","","","0.71073","MoKα","","0.0805","0.0601","","","0.1526","0.1674","","","","","","0.994","","","","has coordinates,has disorder","153177","2020-10-21","18:00:00",""
"7035498","9.9759","0.0002","16.3834","0.0006","32.0639","0.0008","90","","90","","90","","5240.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cl4 N6 Zn -","- C26 H24 Cl4 N6 Zn -","- C208 H192 Cl32 N48 Zn8 -","8","1","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu; Skelton, Brian W.","Hybrid organic-inorganic chlorozincate and a molecular zinc complex involving the in situ formed imidazo[1,5-a]pyridinium cation: serendipitous oxidative cyclization, structures and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13735","13744","10.1039/c5dt01491c","","","0.71073","MoKα","","0.0687","0.0426","","","0.0727","0.0791","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035499","30.9572","0.0009","7.6276","0.0002","14.5488","0.0005","90","","116.203","0.004","90","","3082.36","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl3 N3 Zn -","- C13 H12 Cl3 N3 Zn -","- C104 H96 Cl24 N24 Zn8 -","8","1","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu; Skelton, Brian W.","Hybrid organic-inorganic chlorozincate and a molecular zinc complex involving the in situ formed imidazo[1,5-a]pyridinium cation: serendipitous oxidative cyclization, structures and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13735","13744","10.1039/c5dt01491c","","","0.71073","MoKα","","0.0302","0.0241","","","0.0594","0.0615","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035500","7.3552","0.0005","10.0184","0.0006","18.5955","0.001","90.392","0.004","92.574","0.005","107.298","0.005","1306.66","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl N3 O1.5 -","- C13 H15 Cl N3 O1.5 -","- C52 H60 Cl4 N12 O6 -","4","2","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu; Skelton, Brian W.","Hybrid organic-inorganic chlorozincate and a molecular zinc complex involving the in situ formed imidazo[1,5-a]pyridinium cation: serendipitous oxidative cyclization, structures and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13735","13744","10.1039/c5dt01491c","","x-ray","0.71073","MoKα","","0.0689","0.0491","","","0.1038","0.1161","","","","","","1.023","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035501","6.4839","0.0005","10.6956","0.0008","16.2649","0.0009","79.106","0.006","87.562","0.005","75.111","0.006","1070.42","0.13","120","2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Au Cl N2 O7 S4 -","- C12 H20 Au Cl N2 O7 S4 -","- C24 H40 Au2 Cl2 N4 O14 S8 -","2","1","","Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz","Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13641","13650","10.1039/c5dt01627d","","x-ray","1.54184","CuKα","","0.0356","0.0308","","","0.071","0.074","","","","","","1.129","","","","has coordinates","153139","2020-10-21","18:00:00",""
"7035502","11.8332","0.0004","21.4246","0.0008","18.7942","0.0006","90","","91.843","0.003","90","","4762.3","0.3","120","2","120","0","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Au2 N4 Na6 O20 S8 -","- C24 H44 Au2 N4 Na6 O20 S8 -","- C96 H176 Au8 N16 Na24 O80 S32 -","4","1","","Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz","Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13641","13650","10.1039/c5dt01627d","","x-ray","1.54184","CuKα","","0.0665","0.0469","","","0.1066","0.1155","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035503","11.1423","0.00014","26.799","0.0003","38.4479","0.0005","90","","90","","90","","11480.6","0.2","120","","120","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C24 H61 Au2 N4 Na6 O29 S8 -","- C24 H61 Au2 N4 Na6 O29 S8 -","- C192 H488 Au16 N32 Na48 O232 S64 -","8","0.25","","Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz","Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13641","13650","10.1039/c5dt01627d","","x-ray","1.54184","CuKα","","0.0466","0.046","","","0.1094","0.1096","","","","","","1.375","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7035504","7.3214","0.0006","14.182","0.0013","15.5197","0.001","90","","95.774","0.007","90","","1603.3","0.2","120","0.2","120","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H7 N O2 S2 -","- C6 H7 N O2 S2 -","- C48 H56 N8 O16 S16 -","8","1","","Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz","Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13641","13650","10.1039/c5dt01627d","","x-ray","0.71073","MoKα","","0.05","0.0387","","","0.0944","0.1017","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035505","10.912","0.003","12.707","0.003","14.428","0.003","68.615","0.004","68.335","0.004","75.403","0.004","1715.2","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine)copper(I) tetrafluoroborate","","- C40 H28 B Cu F4 N8 -","- C40 H28 B Cu F4 N8 -","- C80 H56 B2 Cu2 F8 N16 -","2","1","","Yamada, Atsutoshi; Mabe, Takuya; Yamane, Ryohei; Noda, Kyoko; Wasada, Yuko; Inamo, Masahiko; Ishihara, Koji; Suzuki, Takayoshi; Takagi, Hideo D.","Flipping of the coordinated triazine moiety in Cu(i)-L2 and the small electronic factor, κel, for direct outer-sphere cross reactions: syntheses, crystal structures and redox behaviour of copper(ii)/(i)-L2 complexes (L = 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine).","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13979","13990","10.1039/c5dt01808k","","","0.71075","MoKα","","0.0963","0.0515","","","0.1288","0.1614","","","","","","1.117","","","","has coordinates","153166","2020-10-21","18:00:00",""
"7035506","11.87","0.004","11.255","0.003","29.713","0.013","90","","93.5","0.03","90","","3962","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine)diaquocopper(II) Tetrafluoroborate","","- C40 H32 B2 Cu F8 N8 O2 -","- C40 H32 B2 Cu F8 N8 O2 -","- C160 H128 B8 Cu4 F32 N32 O8 -","4","0.5","","Yamada, Atsutoshi; Mabe, Takuya; Yamane, Ryohei; Noda, Kyoko; Wasada, Yuko; Inamo, Masahiko; Ishihara, Koji; Suzuki, Takayoshi; Takagi, Hideo D.","Flipping of the coordinated triazine moiety in Cu(i)-L2 and the small electronic factor, κel, for direct outer-sphere cross reactions: syntheses, crystal structures and redox behaviour of copper(ii)/(i)-L2 complexes (L = 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine).","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13979","13990","10.1039/c5dt01808k","","","0.71075","MoKα","","0.0807","0.0583","","","0.1722","0.1822","","","","","","1.04","","","","has coordinates","153166","2020-10-21","18:00:00",""
"7035507","8.6636","0.0009","9.9831","0.001","11.0281","0.0011","97.364","0.001","91.137","0.001","108.793","0.001","893.62","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 B F2 N4 -","- C20 H19 B F2 N4 -","- C40 H38 B2 F4 N8 -","2","1","","Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13897","13905","10.1039/c5dt02012c","","","0.71073","MoKα","","0.0533","0.0446","","","0.1204","0.1284","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035508","8.7229","0.0014","9.6603","0.0015","15.144","0.002","91.398","0.002","106.187","0.002","112.231","0.002","1122.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 B F2 N4 -","- C24 H27 B F2 N4 -","- C48 H54 B2 F4 N8 -","2","1","","Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13897","13905","10.1039/c5dt02012c","","","0.71073","MoKα","","0.1781","0.058","","","0.0866","0.1173","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035509","6.8864","0.0006","19.4648","0.0016","9.6124","0.0008","90","","90","","90","","1288.47","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","1","","Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13897","13905","10.1039/c5dt02012c","","","0.71073","MoKα","","0.0404","0.0357","","","0.0911","0.095","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035510","30.722","0.005","10.9071","0.0018","15.974","0.003","90","","100.161","0.002","90","","5268.7","1.6","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C200 H200 N40 -","10","2.5","","Yu, Changjiang; Hao, Erhong; Li, Tingting; Wang, Jun; Sheng, Wanle; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Dipyrrolylquinoxaline difluoroborates with intense red solid-state fluorescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13897","13905","10.1039/c5dt02012c","","","0.71073","MoKα","","0.1551","0.0933","","","0.2764","0.3024","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035511","28.764","0.004","28.764","0.004","69.369","0.009","90","","90","","120","","49704","12","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C307.5 H516.1 Cl8 N118.5 O63.8 Zn10 -","- C132 H96 Cl6.24 N60 O5.28 Zn10 -","- C792 H576 Cl37.44 N360 O31.68 Zn60 -","6","0.166667","","Schmieder, Phillip; Grzywa, Maciej; Denysenko, Dmytro; Hambach, Manuel; Volkmer, Dirk","CFA-7: an interpenetrated metal-organic framework of the MFU-4 family.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13060","13070","10.1039/c5dt01673h","","","0.71073","MoKα","","0.2354","0.1299","","","0.3042","0.3676","","","","","","1.129","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035512","16.9427","0.0009","19.9103","0.001","6.8692","0.0004","90","","90","","90","","2317.2","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H25 B Cl4 Cu N3 -","- C20 H22 B Cl4 Cu N3 -","- C80 H88 B4 Cl16 Cu4 N12 -","4","0.5","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","Bis(σ-B-H) complexes of copper(i): precursors to a heterogeneous amine-borane dehydrogenation catalyst.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12530","12534","10.1039/c5dt02144h","","","1.54184","CuKα","","0.0545","0.044","","","0.1103","0.1181","","","","","","1.086","","","","has coordinates,has disorder","143700","2020-10-21","18:00:00",""
"7035513","11.0385","0.0002","15.6053","0.0003","14.7655","0.0003","90","","97.005","0.002","90","","2524.51","0.08","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 B Cl4 Cu N3 -","- C23 H23 B Cl4 Cu N3 -","- C92 H92 B4 Cl16 Cu4 N12 -","4","1","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","Bis(σ-B-H) complexes of copper(i): precursors to a heterogeneous amine-borane dehydrogenation catalyst.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12530","12534","10.1039/c5dt02144h","","","0.71073","MoKα","","0.0449","0.0327","","","0.068","0.0731","","","","","","1.019","","","","has coordinates","143700","2020-10-21","18:00:00",""
"7035514","14.9569","0.0004","10.156","0.0003","18.0974","0.0005","90","","100.432","0.002","90","","2703.6","0.13","120","0.1","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B12 Cl11 O P2 -","- C48 H40 B12 Cl11 O P2 -","- C96 H80 B24 Cl22 O2 P4 -","2","0.5","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0477","0.04","","","0.0924","0.0964","","","","","","1.107","","","","has coordinates,has disorder","153188","2020-10-21","18:00:00",""
"7035515","12.8817","0.0002","12.3453","0.0002","19.1305","0.0004","90","","108.907","0.0019","90","","2878.14","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 B12 Br11 O P2 -","- C48 H40 B12 Br11 O P2 -","- C96 H80 B24 Br22 O2 P4 -","2","0.5","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0437","0.0284","","","0.0523","0.057","","","","","","1.018","","","","has coordinates,has disorder","153188","2020-10-21","18:00:00",""
"7035516","11.27145","0.00018","28.4714","0.0005","30.0522","0.0005","113.966","0.0017","90.7492","0.0014","94.0845","0.0013","8781","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H47 B12 Cl11 O P2 -","- C51 H47 B12 Cl11 O P2 -","- C306 H282 B72 Cl66 O6 P12 -","6","3","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0927","0.0661","","","0.1455","0.1625","","","","","","1.06","","","","has coordinates","153188","2020-10-21","18:00:00",""
"7035517","12.1721","0.0004","16.491","0.0005","17.476","0.0005","93.883","0.002","103.004","0.003","102.37","0.003","3313.79","0.19","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H57 B12 Cl11 O P2 -","- C56 H57 B12 Cl11 O P2 -","- C112 H114 B24 Cl22 O2 P4 -","2","1","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0701","0.0589","","","0.1537","0.1605","","","","","","1.043","","","","has coordinates,has disorder","153188","2020-10-21","18:00:00",""
"7035518","11.8024","0.0004","38.8526","0.0014","13.9673","0.0004","90","","91.786","0.002","90","","6401.6","0.4","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 B12 Br11 N O P2 -","- C53 H50 B12 Br11 N O P2 -","- C212 H200 B48 Br44 N4 O4 P8 -","4","1","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0741","0.0559","","","0.1347","0.1471","","","","","","1.076","","","","has coordinates,has disorder","153188","2020-10-21","18:00:00",""
"7035519","12.0812","0.0004","16.993","0.0005","18.491","0.0004","88.517","0.002","77.871","0.002","73.201","0.003","3550.54","0.19","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H67 B12 Br11 O2 P2 -","- C60 H67 B12 Br11 O2 P2 -","- C120 H134 B24 Br22 O4 P4 -","2","1","","Jenne, Carsten; Kirsch, Christoph","Alkoxy substituted halogenated closo-dodecaborates as anions for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13119","13124","10.1039/c5dt01633a","","x-ray","0.71073","MoKα","","0.0671","0.0364","","","0.0648","0.0734","","","","","","1.022","","","","has coordinates","153188","2020-10-21","18:00:00",""
"7035520","13.9325","0.0012","26.873","0.002","27.147","0.002","90","","90","","90","","10164.1","1.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H110 Cd2 N8 O15 Ti2 -","- C86 H110 Cd2 N8 O15 Ti2 -","- C344 H440 Cd8 N32 O60 Ti8 -","4","1","","Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong","Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12999","13002","10.1039/c5dt01682g","","","1.54178","CuKα","","0.077","0.0511","","","0.1166","0.1307","","","","","","0.893","","","","has coordinates","153190","2020-10-21","18:00:00",""
"7035521","26.8901","0.0002","26.8901","0.0002","13.2591","0.0003","90","","90","","90","","9587.4","0.2","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C41 H52 Br Cd N4 O5.5 Ti -","- C41 H52 Br Cd N4 O5.5 Ti -","- C328 H416 Br8 Cd8 N32 O44 Ti8 -","8","1","","Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong","Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12999","13002","10.1039/c5dt01682g","","","1.54178","CuKα","","0.0775","0.0672","","","0.1965","0.2117","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035522","24.26","0.011","24.415","0.008","24.531","0.008","83.566","0.003","62.292","0.004","61.717","0.004","11218","7","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H42 Cl6 F9 N8 O19 S3 Yb -","- C41.4167 H32.0833 Cl0.25 F4 N8 O12 S1.33333 Yb -","- C248.5 H192.5 Cl1.5 F24 N48 O72 S8 Yb6 -","6","3","","Sequeira, Gail M.; Tan, Wayne Y.; Moore, Evan G.","Structural features and near infra-red (NIR) luminescence of isomeric Yb(iii) bipyridyl-N,N'-dioxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13378","13383","10.1039/c5dt01875g","","","1.5418","CuKα","","0.079","0.0679","","","0.1854","0.1996","","","","","","1.037","","","","has coordinates,has disorder","153196","2020-10-21","18:00:00",""
"7035523","15.319","0.002","8.1376","0.0013","13.8906","0.0016","90","","93.458","0.01","90","","1728.4","0.4","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N10 O24 Yb2 -","- C22 H22 N10 O24 Yb2 -","- C44 H44 N20 O48 Yb4 -","2","0.25","","Sequeira, Gail M.; Tan, Wayne Y.; Moore, Evan G.","Structural features and near infra-red (NIR) luminescence of isomeric Yb(iii) bipyridyl-N,N'-dioxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13378","13383","10.1039/c5dt01875g","","","0.71073","MoKα","","0.0896","0.0516","","","0.0918","0.1036","","","","","","0.971","","","","has coordinates,has disorder","153196","2020-10-21","18:00:00",""
"7035524","11.2221","0.0008","16.3393","0.0012","17.6442","0.0011","65.394","0.007","76.958","0.006","74.365","0.006","2808.8","0.4","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","","","- C36.5 H29 Cl9 F9 N6 O15.5 S3 Yb -","- C36.5 H29 Cl9 F9 N6 O15.5 S3 Yb -","- C73 H58 Cl18 F18 N12 O31 S6 Yb2 -","2","1","","Sequeira, Gail M.; Tan, Wayne Y.; Moore, Evan G.","Structural features and near infra-red (NIR) luminescence of isomeric Yb(iii) bipyridyl-N,N'-dioxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13378","13383","10.1039/c5dt01875g","","","1.5418","CuKα","","0.1181","0.0993","","","0.2689","0.2888","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035525","34.4809","0.0013","7.811","0.0017","15.8568","0.0006","90","","124.966","0.001","90","","3499.8","0.8","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N10 O24 Yb2 -","- C22 H22 N10 O24 Yb2 -","- C88 H88 N40 O96 Yb8 -","4","0.5","","Sequeira, Gail M.; Tan, Wayne Y.; Moore, Evan G.","Structural features and near infra-red (NIR) luminescence of isomeric Yb(iii) bipyridyl-N,N'-dioxide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13378","13383","10.1039/c5dt01875g","","","1.5418","CuKα","","0.0266","0.0245","","","0.063","0.0652","","","","","","1.035","","","","has coordinates,has disorder","153196","2020-10-21","18:00:00",""
"7035526","8.5336","0.0003","8.7427","0.0003","18.1777","0.0006","90","","90","","90","","1356.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 F15 Si -","- C8 H5 F15 Si -","- C32 H20 F60 Si4 -","4","1","","Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.","Pentafluoroethyl-substituted α-silanes: model compounds for new insights.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13347","13358","10.1039/c5dt02010g","","x-ray","0.71073","MoKα","","0.0385","0.0374","","","0.1015","0.1025","","","","","","1.168","","","","has coordinates","153197","2020-10-21","18:00:00",""
"7035527","10.2956","0.0004","8.9617","0.0002","15.4672","0.0006","90","","90.9977","0.0016","90","","1426.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 F15 O Si -","- C8 H5 F15 O Si -","- C32 H20 F60 O4 Si4 -","4","1","","Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.","Pentafluoroethyl-substituted α-silanes: model compounds for new insights.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13347","13358","10.1039/c5dt02010g","","","0.71073","MoKα","","0.0459","0.0301","","","0.071","0.0749","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035528","7.6077","0.0003","15.7881","0.0007","12.7448","0.0006","90","","92.425","0.004","90","","1529.42","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F15 N Si -","- C9 H8 F15 N Si -","- C36 H32 F60 N4 Si4 -","4","1","","Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.","Pentafluoroethyl-substituted α-silanes: model compounds for new insights.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13347","13358","10.1039/c5dt02010g","","","0.7107","MoKα","","0.0567","0.0407","","","0.0944","0.104","","","","","","1.095","","","","has coordinates","153197","2020-10-21","18:00:00",""
"7035529","8.0664","0.0003","13.2774","0.0013","14.999","0.001","105.422","0.007","91.66","0.005","104.381","0.006","1492.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 F15 N O Si -","- C8 H6 F15 N O Si -","- C32 H24 F60 N4 O4 Si4 -","4","2","","Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.","Pentafluoroethyl-substituted α-silanes: model compounds for new insights.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13347","13358","10.1039/c5dt02010g","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0925","0.0967","","","","","","1.039","","","","has coordinates,has disorder","153197","2020-10-21","18:00:00",""
"7035530","14.214","0.003","13.166","0.003","19.343","0.004","90","","93.41","0.03","90","","3613.5","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F18 N3 O9 Tb -","- C28 H21 F18 N3 O9 Tb -","- C112 H84 F72 N12 O36 Tb4 -","4","1","","Wang, Xiufeng; Zhu, Mei; Wang, Juanjuan; Li, Licun","Unusual Gd-nitronyl nitroxide antiferromagnetic coupling and slow magnetic relaxation in the corresponding Tb analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13890","13896","10.1039/c5dt01487e","","","0.71073","MoKα","","0.0252","0.0222","","","0.0553","0.0567","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035531","11.415","0.002","22.917","0.005","16.964","0.006","90","","124.48","0.02","90","","3658.1","1.9","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Er F18 N3 O9 -","- C28 H21 Er F18 N3 O9 -","- C112 H84 Er4 F72 N12 O36 -","4","1","","Wang, Xiufeng; Zhu, Mei; Wang, Juanjuan; Li, Licun","Unusual Gd-nitronyl nitroxide antiferromagnetic coupling and slow magnetic relaxation in the corresponding Tb analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13890","13896","10.1039/c5dt01487e","","","0.71073","MoKα","","0.0623","0.048","","","0.0951","0.1027","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035532","14.194","0.003","13.196","0.003","19.369","0.004","90","","93.33","0.03","90","","3621.8","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F18 Gd N3 O9 -","- C28 H21 F18 Gd N3 O9 -","- C112 H84 F72 Gd4 N12 O36 -","4","1","","Wang, Xiufeng; Zhu, Mei; Wang, Juanjuan; Li, Licun","Unusual Gd-nitronyl nitroxide antiferromagnetic coupling and slow magnetic relaxation in the corresponding Tb analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13890","13896","10.1039/c5dt01487e","","","0.71073","MoKα","","0.0329","0.0277","","","0.0725","0.0757","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035533","16.417","0.0014","8.0367","0.0004","13.1548","0.0012","90","","113.588","0.01","90","","1590.6","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","OC-6-22-(acetylacetonato)difluoridobis(pyridine)vanadium(III)","","- C15 H17 F2 N2 O2 V -","- C15 H17 F2 N2 O2 V -","- C60 H68 F8 N8 O8 V4 -","4","1","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0543","0.0403","","","0.0723","0.0778","","","","","","1.01","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035534","14.0214","0.0017","12.8277","0.001","13.4718","0.0017","90","","114.259","0.014","90","","2209.1","0.5","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","trans-difluoridotetrakis(pyridine)vanadium(III) tetrafluoroborate","","- C20 H20 B F6 N4 V -","- C20 H20 B F6 N4 V -","- C80 H80 B4 F24 N16 V4 -","4","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0822","0.0492","","","0.1096","0.1295","","","","","","1.041","","","","has coordinates,has disorder","153201","2020-10-21","18:00:00",""
"7035535","10.8047","0.0002","10.8047","0.0002","12.6865","0.0004","90","","90","","90","","1481.04","0.06","149.9","1","149.9","1","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","pyridinium trans-difluoridotetrakis(pyridine)vanadium(III)hexafluorosilicate","","- C25 H26 F8 N5 Si V -","- C25 H26 F8 N5 Si V -","- C50 H52 F16 N10 Si2 V2 -","2","0.125","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.1004","0.0508","","","0.1201","0.1325","","","","","","0.844","","","","has coordinates,has disorder","153201","2020-10-21","18:00:00",""
"7035536","8.4345","0.0006","31.4088","0.0012","10.9799","0.0006","90","","111.971","0.007","90","","2697.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","pyridinium trans-tetrafluoridobis(pyridine)vanadate(III)‒ethanol (3/2)","","- C49 H60 F12 N9 O2 V3 -","- C49 H60 F12 N9 O2 V3 -","- C98 H120 F24 N18 O4 V6 -","2","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.072","0.0471","","","0.0998","0.1114","","","","","","1.03","","","","has coordinates,has disorder","153201","2020-10-21","18:00:00",""
"7035537","21.4549","0.0011","10.3397","0.0005","11.9769","0.0007","90","","98.648","0.005","90","","2626.7","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-difluoridotetrakis(pyridine)managnese(III)pentafluorido(pyridine)silicate(IV)","","- C25 H25 F7 Mn N5 Si -","- C25 H25 F7 Mn N5 Si -","- C100 H100 F28 Mn4 N20 Si4 -","4","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0385","0.0324","","","0.0743","0.0768","","","","","","1.078","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035538","15.924","0.0019","8.163","0.0008","12.4914","0.0013","90","","102.981","0.012","90","","1582.2","0.3","150","1","150","1","","","","","","","","5","P 1 c 1","P -2yc","7","","mer-trifluoridotris(pyridine)manganese(III)","","- C15 H15 F3 Mn N3 -","- C15 H15 F3 Mn N3 -","- C60 H60 F12 Mn4 N12 -","4","2","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0787","0.0596","","","0.1612","0.1737","","","","","","1.011","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035539","15.1861","0.001","8.4089","0.0004","15.7527","0.0009","90","","110.717","0.007","90","","1881.5","0.2","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","trans-difluoridotetrakis(pyridine)nickel(II)","","- C20 H20 F2 N4 Ni -","- C20 H20 F2 N4 Ni -","- C80 H80 F8 N16 Ni4 -","4","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0277","0.0247","","","0.0642","0.0654","","","","","","1.056","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035540","22.2749","0.0007","12.7253","0.0004","17.7334","0.0009","90","","126.335","0.001","90","","4049.3","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","zinccarboxylate","","","- C18.5 H15 N1.5 O7.5 S Zn -","- C18.5 H15 N1.5 O7.5 S Zn -","- C148 H120 N12 O60 S8 Zn8 -","8","1","","Ghosh, Raja; Pedicini, Anthony F.; Rao, Purna Chandra; Asha, K. S.; Reber, Arthur C.; Mandal, Sukhendu","The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13464","13468","10.1039/c5dt02132d","","","0.71073","MoKα","","0.0508","0.033","","","0.0835","0.0913","","","","","","1.052","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035541","16.3303","0.0004","20.6847","0.0005","16.9801","0.0004","90","","98.472","0.001","90","","5673.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","zinccarboxylate","","","- C53 H38 N2 O20 S3 Zn3 -","- C53 H38 N2 O20 S3 Zn3 -","- C212 H152 N8 O80 S12 Zn12 -","4","1","","Ghosh, Raja; Pedicini, Anthony F.; Rao, Purna Chandra; Asha, K. S.; Reber, Arthur C.; Mandal, Sukhendu","The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13464","13468","10.1039/c5dt02132d","","","0.71073","MoKα","","0.1173","0.0639","","","0.1734","0.2129","","","","","","1.039","","","","has coordinates","153156","2020-10-21","18:00:00",""
"7035542","13.9367","0.0007","6.104","0.0003","19.7129","0.0011","90","","93.616","0.002","90","","1673.63","0.15","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","zinccarboxylate","","","- C15.5 H9 N0.5 O7.5 S Zn1.5 -","- C15.5 H9 N0.5 O7.5 S Zn1.5 -","- C62 H36 N2 O30 S4 Zn6 -","4","1","","Ghosh, Raja; Pedicini, Anthony F.; Rao, Purna Chandra; Asha, K. S.; Reber, Arthur C.; Mandal, Sukhendu","The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13464","13468","10.1039/c5dt02132d","","","0.71073","MoKα","","0.0668","0.0356","","","0.0948","0.121","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035543","7.6609","0.0015","21.518","0.004","12.258","0.003","90","","98.82","0.03","90","","1996.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H26 Ho N5 O17 -","- C34 H26 Ho N5 O17 -","- C68 H52 Ho2 N10 O34 -","2","0.5","","Du, Pei-Yao; Li, Hui; Fu, Xin; Gu, Wen; Liu, Xin","A 1D anionic lanthanide coordination polymer as an adsorbent material for the selective uptake of cationic dyes from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13752","13759","10.1039/c5dt01848j","","","0.71073","MoKα","","0.0779","0.0734","","","0.1947","0.2019","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035544","12.569","0.0001","24.6401","0.0002","13.4387","0.0001","90","","106.479","0.001","90","","3991.03","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H67 Mg N3 Si4 -","- C32 H67 Mg N3 Si4 -","- C128 H268 Mg4 N12 Si16 -","4","1","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","1.54184","CuKα","","0.037","0.0327","","","0.0856","0.089","","","","","","1.048","","","","has coordinates","153210","2020-10-21","18:00:00",""
"7035545","10.491","0.0001","20.8334","0.0001","20.0585","0.0002","90","","103.328","0.001","90","","4265.97","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H71 Mg N3 Si4 -","- C35 H71 Mg N3 Si4 -","- C140 H284 Mg4 N12 Si16 -","4","1","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","1.54184","CuKα","","0.0333","0.0317","","","0.0878","0.0891","","","","","","1.029","","","","has coordinates","153210","2020-10-21","18:00:00",""
"7035546","12.583","0.0002","20.8237","0.0004","17.9449","0.0004","90","","93.982","0.002","90","","4690.65","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H75 Ba N3 O Si4 -","- C36 H75 Ba N3 O Si4 -","- C144 H300 Ba4 N12 O4 Si16 -","4","1","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","1.54184","CuKα","","0.0486","0.0408","","","0.1067","0.1141","","","","","","1.041","","","","has coordinates","153210","2020-10-21","18:00:00",""
"7035547","12.0901","0.0001","18.1027","0.0002","23.5571","0.0002","90","","98.407","0.001","90","","5100.39","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H79 Ba N3 O Si4 -","- C39 H79 Ba N3 O Si4 -","- C156 H316 Ba4 N12 O4 Si16 -","4","1","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","1.54184","CuKα","","0.025","0.0233","","","0.0587","0.0599","","","","","","1.045","","","","has coordinates,has disorder","153210","2020-10-21","18:00:00",""
"7035548","20.6446","0.0006","20.6446","0.0006","20.1037","0.0008","90","","90","","120","","7420.3","0.4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C87 H159 K N6 Si6 Sr -","- C87 H159 K N6 Si6 Sr -","- C261 H477 K3 N18 Si18 Sr3 -","3","0.333333","","Turner, Zoë R; Buffet, Jean-Charles","Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12985","12989","10.1039/c5dt02270c","","","0.71073","MoKα","","0.0422","0.0337","","","0.0721","0.0759","","","","","","1.029","","","","has coordinates","153210","2020-10-21","18:00:00",""
"7035549","22.6252","0.0015","15.1697","0.0009","20.6703","0.0012","90","","101.996","0.002","90","","6939.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(MbenTpivPP)(1-MeIm)2](1-MeIm)","","","- C78 H79 Fe N14 O4 -","- C78 H79 Fe N14 O4 -","- C312 H316 Fe4 N56 O16 -","4","1","","He, Baiyin; Schulz, Charles E.; Li, Jianfeng","Synthesis and characterization of a modified ""picket fence"" porphyrin complex - stronger π bonding interactions between Fe(ii) and axial ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13651","13661","10.1039/c5dt00941c","","","0.71073","MoKα","","0.0841","0.0582","","","0.1343","0.1472","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035550","9.209","0.002","15.433","0.003","7.043","0.001","90","","103.72","0.02","90","","972.4","0.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m3-iodo)-(m2-piperazine)-copper(i))","","- C4 H10 Cu2 I2 N2 -","- C4 H10 Cu2 I2 N2 -","- C16 H40 Cu8 I8 N8 -","4","0.5","","Maini, L.; Braga, D.; Mazzeo, P. P.; Maschio, L.; Rérat, M; Manet, I.; Ventura, B.","Dual luminescence in solid CuI(piperazine): hypothesis of an emissive 1-D delocalized excited state.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13003","13006","10.1039/c5dt02204e","","","0.7107","MoKα","","0.0889","0.0825","","","0.2262","0.2319","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035551","9.255","0.003","15.294","0.003","7.076","0.002","90","","103.45","0.03","90","","974.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m3-iodo)-(m2-piperazine)-copper(i))","","- C4 H10 Cu2 I2 N2 -","- C4 H10 Cu2 I2 N2 -","- C16 H40 Cu8 I8 N8 -","4","0.5","","Maini, L.; Braga, D.; Mazzeo, P. P.; Maschio, L.; Rérat, M; Manet, I.; Ventura, B.","Dual luminescence in solid CuI(piperazine): hypothesis of an emissive 1-D delocalized excited state.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13003","13006","10.1039/c5dt02204e","","x-ray","0.71073","MoKα","","0.0499","0.039","","","0.0696","0.0751","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035552","9.2363","0.0006","15.39","0.001","7.057","0.0005","90","","103.725","0.008","90","","974.49","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m3-iodo)-(m2-piperazine)-copper(i))","","- C4 H10 Cu2 I2 N2 -","- C4 H10 Cu2 I2 N2 -","- C16 H40 Cu8 I8 N8 -","4","0.5","","Maini, L.; Braga, D.; Mazzeo, P. P.; Maschio, L.; Rérat, M; Manet, I.; Ventura, B.","Dual luminescence in solid CuI(piperazine): hypothesis of an emissive 1-D delocalized excited state.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13003","13006","10.1039/c5dt02204e","","x-ray","0.71073","MoKα","","0.0328","0.0281","","","0.0677","0.0687","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035553","23.6341","0.001","25.5162","0.0008","16.5739","0.0009","90","","104.244","0.005","90","","9687.7","0.8","154","0.8","154","0.8","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu10]","","","- C74 H60 Cl4 Cu10 N12 O38 -","- C74 H60 Cl4 Cu10 N12 O38 -","- C296 H240 Cl16 Cu40 N48 O152 -","4","0.5","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.7107","MoKα","","0.1098","0.0658","","","0.1501","0.1766","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035554","47.208","0.003","16.6283","0.0012","21.3697","0.0015","90","","94.285","0.001","90","","16728","2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu14]","","","- C123 H101.17 Br8 Cu14 N16 O42.58 -","- C123 H100 Br8 Cu14 N16 O42.6 -","- C492 H400 Br32 Cu56 N64 O170.4 -","4","0.5","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.71073","MoKα","","0.0868","0.0551","","","0.1403","0.1503","","","","","","1.058","","","","has coordinates,has disorder","153212","2020-10-21","18:00:00",""
"7035555","18.989","0.004","13.838","0.003","26.748","0.005","90","","91.05","0.03","90","","7027","2","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu14](4)","","","- C122 H112 Cu14 N20 O56 -","- C122 H112 Cu14 N20 O56 -","- C244 H224 Cu28 N40 O112 -","2","0.5","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.7107","MoKα","","0.1348","0.0948","","","0.2104","0.2302","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035556","18.6255","0.0005","20.6535","0.0007","38.2976","0.0012","92.913","0.003","99.064","0.003","103.632","0.003","14079.1","0.8","150","3","150","3","","","","","","","","6","P -1","-P 1","2","[Cu30]","","","- C246 H202 Cl4 Cu30 N32 O94 -","- C246 H202 Cl4 Cu30 N32 O94 -","- C492 H404 Cl8 Cu60 N64 O188 -","2","1","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.71073","MoKα","","0.1962","0.1234","","","0.2895","0.3398","","","","","","1.054","","","","has coordinates,has disorder","153212","2020-10-21","18:00:00",""
"7035557","36.1459","0.0012","5.22","0.0002","18.0068","0.0007","90","","101.697","0.003","90","","3327","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(L)(eamide)]","","","- C17 H17 Cu N3 O5 -","- C17 H17 Cu N3 O5 -","- C136 H136 Cu8 N24 O40 -","8","1","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.7107","MoKα","","0.0401","0.0315","","","0.0801","0.0842","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035558","15.4185","0.0006","22.8429","0.0007","25.1092","0.0009","71.435","0.003","77.204","0.003","80.405","0.003","8130.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C125.5 H125 Cu14 N20 O64 -","- C125.5 H125 Cu14 N20 O64 -","- C251 H250 Cu28 N40 O128 -","2","1","","McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F.","Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13359","13368","10.1039/c5dt01463h","","","0.71073","MoKα","","0.1771","0.0861","","","0.2038","0.2446","","","","","","0.937","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035559","11.0852","0.0004","12.5966","0.0004","14.335","0.0005","90","","98.644","0.001","90","","1978.94","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 B F2 N2 O -","- C26 H17 B F2 N2 O -","- C104 H68 B4 F8 N8 O4 -","4","1","","Thale, Pranila B.; Borase, Pravin N.; Shankarling, Ganapati S.","Maleimide fused boron-fluorine complexes: synthesis, photophysical and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13947","13954","10.1039/c5dt01339a","","","1.54178","CuKα","","0.0329","0.0302","","","0.0754","0.0774","","","","","","1.044","","","","has coordinates","153182","2020-10-21","18:00:00",""
"7035560","13.0567","0.0005","16.889","0.0007","32.3602","0.0012","90","","90","","90","","7135.9","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H14 B F2 N O S -","- C21 H14 B F2 N O S -","- C336 H224 B16 F32 N16 O16 S16 -","16","2","","Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang","AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14063","14070","10.1039/c5dt01525a","","","1.54184","CuKα","","0.0759","0.0526","","","0.1279","0.1452","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035561","12.4688","0.0011","11.0347","0.0009","14.9694","0.0012","90","","90.258","0.001","90","","2059.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F2 N2 O S -","- C23 H19 B F2 N2 O S -","- C92 H76 B4 F8 N8 O4 S4 -","4","1","","Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang","AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14063","14070","10.1039/c5dt01525a","","","0.71073","MoKα","","0.1319","0.0535","","","0.1106","0.1379","","","","","","0.951","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035562","10.9909","0.0008","9.095","0.0007","26.758","0.002","90","","99.025","0.002","90","","2641.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 B N O S -","- C33 H24 B N O S -","- C132 H96 B4 N4 O4 S4 -","4","1","","Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang","AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14063","14070","10.1039/c5dt01525a","","","0.71073","MoKα","","0.136","0.0484","","","0.0945","0.1184","","","","","","0.724","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035563","30.53","0.03","12.606","0.011","16.241","0.015","90","","111.74","0.02","90","","5806","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 B N2 O S -","- C35 H29 B N2 O S -","- C280 H232 B8 N16 O8 S8 -","8","1","","Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang","AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14063","14070","10.1039/c5dt01525a","","","0.71073","MoKα","","0.1268","0.0529","","","0.1069","0.1273","","","","","","0.809","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035564","6.9343","0.0005","10.9163","0.0009","16.8658","0.0013","95.788","0.001","94.361","0.001","96.855","0.001","1256.08","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Cu2 N2 O15 -","- C23 H15 Cu2 N2 O15 -","- C46 H30 Cu4 N4 O30 -","2","1","","Wang, Xiuli; Le, Mao; Lin, Hongyan; Luan, Jian; Liu, Guocheng; Liu, Danna","Aminopyridine derivatives controlled the assembly and various properties of Cu-BTC metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14008","14018","10.1039/c5dt01446h","","","0.71073","MoKα","","0.0444","0.0387","","","0.1002","0.1035","","","","","","1.047","","","","has coordinates","153168","2020-10-21","18:00:00",""
"7035565","10.772","0.0004","21.7524","0.0009","9.8578","0.0004","90","","111.728","0.001","90","","2145.74","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cu2 N4 O11 -","- C19 H18 Cu2 N4 O11 -","- C76 H72 Cu8 N16 O44 -","4","1","","Wang, Xiuli; Le, Mao; Lin, Hongyan; Luan, Jian; Liu, Guocheng; Liu, Danna","Aminopyridine derivatives controlled the assembly and various properties of Cu-BTC metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14008","14018","10.1039/c5dt01446h","","","0.71073","MoKα","","0.0452","0.033","","","0.0849","0.0904","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035566","10.6876","0.0007","12.9221","0.0008","18.5048","0.0009","90","","123.82","0.003","90","","2123.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cu2 N2 O8 -","- C22 H14 Cu2 N2 O8 -","- C88 H56 Cu8 N8 O32 -","4","1","","Wang, Xiuli; Le, Mao; Lin, Hongyan; Luan, Jian; Liu, Guocheng; Liu, Danna","Aminopyridine derivatives controlled the assembly and various properties of Cu-BTC metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14008","14018","10.1039/c5dt01446h","","","0.71073","MoKα","","0.0413","0.0312","","","0.0733","0.0767","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035567","14.9083","0.0002","15.5225","0.0002","17.1464","0.0002","78.934","0.001","85.255","0.001","63.586","0.001","3487.59","0.08","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","[Sr(emeamp)(tmhd)]3","","- C20 H39 N O4 Sr -","- C20 H39 N O4 Sr -","- C120 H234 N6 O24 Sr6 -","6","3","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.0948","0.0462","","","0.077","0.0918","","","","","","1.032","","","","has coordinates,has disorder","153169","2020-10-21","18:00:00",""
"7035568","14.1918","0.0002","14.519","0.0002","21.0895","0.0003","77.307","0.001","71.763","0.001","63.773","0.001","3685.39","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[Sr(imeamp)(tmhd)]3","","- C63 H123 N3 O12 Sr3 -","- C63 H123 N3 O12 Sr3 -","- C126 H246 N6 O24 Sr6 -","2","1","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.1533","0.0623","","","0.118","0.1496","","","","","","1.02","","","","has coordinates","153169","2020-10-21","18:00:00",""
"7035569","10.6143","0.0005","16.2868","0.0007","21.475","0.001","94.454","0.003","103.164","0.002","106.686","0.002","3421.7","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","[Sr(memp)(tmhd)]3","","- C57 H109 O15 Sr3 -","- C57 H109 O15 Sr3 -","- C114 H218 O30 Sr6 -","2","1","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.0802","0.0434","","","0.0838","0.0961","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035570","10.6303","0.0002","22.0103","0.0004","11.6362","0.0002","90","","112.867","0.001","90","","2508.62","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Sr(dmaeeamp)[(tmhd)]2","","- C42 H84 N4 O6 Sr2 -","- C42 H84 N4 O6 Sr2 -","- C84 H168 N8 O12 Sr4 -","2","0.5","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.0607","0.037","","","0.0758","0.0861","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035571","9.8488","0.0003","25.0965","0.0007","10.1883","0.0003","90","","101.478","0.002","90","","2467.88","0.13","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Sr(dmaemamb)(tmhd)]2","","- C42 H84 N4 O6 Sr2 -","- C42 H84 N4 O6 Sr2 -","- C84 H168 N8 O12 Sr4 -","2","0.5","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.0852","0.0486","","","0.1071","0.123","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035572","10.7509","0.0004","15.1148","0.0006","16.375","0.0007","93.525","0.002","105.381","0.002","108.42","0.002","2403.25","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[Sr(dmaemamp)(tmpd)]2","","- C40 H80 N4 O6 Sr2 -","- C40 H80 N4 O6 Sr2 -","- C80 H160 N8 O12 Sr4 -","2","1","","George, Sheby Mary; Kim, Hyo-Suk; Oh, Hyun Ji; Lah, Myoung Soo; Jeon, Dong Ju; Park, Bo Keun; Han, Jeong Hwan; Kim, Chang Gyoun; Chung, Taek-Mo","Heteroleptic strontium complexes stabilized by donor-functionalized alkoxide and β-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14042","14053","10.1039/c5dt01356a","","","0.71073","MoKα","","0.082","0.0612","","","0.1602","0.1688","","","","","","1.225","","","","has coordinates,has disorder","153169","2020-10-21","18:00:00",""
"7035573","19.268","0.007","11.773","0.004","14.41","0.004","90","","131.886","0.006","90","","2433.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","{bis(μ~2~-Iodo)-bis(N,N'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato-N,N')-diphenyl-di-rhodium(II) toluene solvate","","- C49 H62 I2 N4 Rh2 -","- C49 H62 I2 N4 Rh2 -","- C98 H124 I4 N8 Rh4 -","2","0.25","","Zhu, Di; Sharma, Arzoo Z.; Wiebe, Christopher R.; Budzelaar, Peter H. M.","Rhodium(ii) dimers without metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13460","13463","10.1039/c5dt02218e","","x-ray","0.71073","MoKα","","0.0294","0.0279","","","0.087","0.0897","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035574","18.862","0.007","11.848","0.005","14.22","0.005","90","","131.564","0.013","90","","2377.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(μ~2~-Bromo)-bis(N,N'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato-N,N')-diphenyl-di-rhodium(II) toluene solvate","","- C49 H62 Br2 N4 Rh2 -","- C49 H62 Br2 N4 Rh2 -","- C98 H124 Br4 N8 Rh4 -","2","0.25","","Zhu, Di; Sharma, Arzoo Z.; Wiebe, Christopher R.; Budzelaar, Peter H. M.","Rhodium(ii) dimers without metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13460","13463","10.1039/c5dt02218e","","x-ray","0.71073","MoKα","","0.0358","0.0347","","","0.1024","0.1042","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035575","11.0432","0.0005","12.5167","0.0006","13.2977","0.0005","93.219","0.002","113.83","0.003","110.676","0.001","1530.04","0.13","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Au N2 O P2 S -","- C37 H27 Au N2 O P2 S -","- C74 H54 Au2 N4 O2 P4 S2 -","2","1","","Baranyai, Péter; Marsi, Gábor; Jobbágy, Csaba; Domján, Attila; Oláh, Laura; Deák, Andrea","Mechano-induced reversible colour and luminescence switching of a gold(i)-diphosphine complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13455","13459","10.1039/c5dt01795e","","","0.71075","MoKα","","0.0434","0.0327","","","0.0658","0.0896","","","","","","1.028","","","","has coordinates","153151","2020-10-21","18:00:00",""
"7035576","30.13","0.003","30.13","0.003","13.5343","0.0016","90","","90","","120","","10641","2","296","2","296","2","","","","","","","","7","R 3 m :H","R 3 -2""","160","","","","- C H92 K9 Mn6 O156 Si3 W30 -","- C K9 Mn6 O157.5 Si3 W30 -","- C3 K27 Mn18 O472.5 Si9 W90 -","3","0.166667","","Yang, Ling; Liu, Qisen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A CO3(2-)-containing, dimanganese-substituted silicotungstate trimer, K9[H14{SiW10Mn(II)Mn(III)O38}3(CO3)]·39H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13469","13472","10.1039/c5dt00262a","","","0.71073","MoKα","","0.0382","0.0336","","","0.0811","0.083","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035577","17.597","0.009","17.597","0.009","40.203","0.009","90","","90","","90","","12449","9","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","Dipotassium Phenylene-1,4-Bis(Trifluoroborate)","","","- C6 H4.66667 B2 F6 K2 O0.33333 -","- C6 H4.66667 B2 F6 K2 O0.333333 -","- C288 H224 B96 F288 K96 O16 -","48","1.5","","Falcicchio, Aurelia; Nilsson Lill, Sten O.; Perna, Filippo M.; Salomone, Antonio; Coppi, Donato I.; Cuocci, Corrado; Stalke, Dietmar; Capriati, Vito","Organotrifluoroborates as attractive self-assembling systems: the case of bifunctional dipotassium phenylene-1,4-bis(trifluoroborate).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19447","19450","10.1039/c5dt02020d","","","0.71073","MoKα","","0.0809","0.0414","","","0.0903","0.1053","","","","","","0.998","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7035578","9.7136","0.0004","13.3724","0.0006","15.3575","0.0007","91.806","0.004","103.465","0.003","97.606","0.003","1918.92","0.15","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H50 B N O2 P2 S Si Yb -","- C36 H50 B N O2 P2 S Si Yb -","- C72 H100 B2 N2 O4 P4 S2 Si2 Yb2 -","2","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.0475","0.0333","","","0.0813","0.0869","","","","","","1.043","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035579","9.843","0.002","11.425","0.002","36.05","0.007","90","","97.48","0.03","90","","4019.6","1.4","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Y -","- C36 H54 B2 N O2 P2 S Si Y -","- C144 H216 B8 N4 O8 P8 S4 Si4 Y4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.1074","0.0523","","","0.0688","0.0795","","","","","","0.909","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035580","12.863","0.0005","14.1648","0.0005","15.3321","0.0006","107.559","0.003","106.975","0.003","96.833","0.003","2480.8","0.18","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C32 H46 B2 N O P2 S Si Sm -","- C32 H46 B2 N O P2 S Si Sm -","- C64 H92 B4 N2 O2 P4 S2 Si2 Sm2 -","2","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.0514","0.0431","","","0.1096","0.1135","","","","","","0.99","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035581","9.8355","0.0003","11.4119","0.0004","36.158","0.0011","90","","97.657","0.002","90","","4022.2","0.2","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Tb -","- C36 H54 B2 N O2 P2 S Si Tb -","- C144 H216 B8 N4 O8 P8 S4 Si4 Tb4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.1072","0.0531","","","0.1162","0.1384","","","","","","0.891","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035582","9.8348","0.0007","11.4038","0.0006","36.103","0.003","90","","97.516","0.006","90","","4014.3","0.5","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Dy N O2 P2 S Si -","- C36 H54 B2 Dy N O2 P2 S Si -","- C144 H216 B8 Dy4 N4 O8 P8 S4 Si4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.1069","0.0638","","","0.1304","0.1448","","","","","","1.005","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035583","9.835","0.002","11.424","0.002","36.01","0.007","90","","97.21","0.03","90","","4013.9","1.4","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Er N O2 P2 S Si -","- C36 H54 B2 Er N O2 P2 S Si -","- C144 H216 B8 Er4 N4 O8 P8 S4 Si4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.1049","0.0659","","","0.1551","0.181","","","","","","1.009","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035584","9.8319","0.0002","11.594","0.0003","35.947","0.0009","90","","97.227","0.002","90","","4065.08","0.17","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 N O2 P2 S Si Yb -","- C36 H54 B2 N O2 P2 S Si Yb -","- C144 H216 B8 N4 O8 P8 S4 Si4 Yb4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.0411","0.0278","","","0.0595","0.0624","","","","","","0.916","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035585","9.7913","0.0004","11.4667","0.0004","35.8275","0.0019","90","","97.003","0.004","90","","3992.5","0.3","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B2 Lu N O2 P2 S Si -","- C36 H54 B2 Lu N O2 P2 S Si -","- C144 H216 B8 Lu4 N4 O8 P8 S4 Si4 -","4","1","","Kiefer, Claude; Bestgen, Sebastian; Gamer, Michael T.; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkynyl-functionalized gold NHC complexes and their coinage metal clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13662","13670","10.1039/c5dt02228b","","","0.71073","MoKα","","0.1125","0.0652","","","0.1283","0.1441","","","","","","1.015","","","","has coordinates,has disorder","153137","2020-10-21","18:00:00",""
"7035590","21.8057","0.0006","15.4495","0.0004","18.9135","0.0005","90","","101.469","0.001","90","","6244.5","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F6 Fe N P3 -","- C33 H34 F6 Fe N P3 -","- C264 H272 F48 Fe8 N8 P24 -","8","2","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.","Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14341","14348","10.1039/c5dt01806d","","x-ray","0.71073","MoKα","K-L~3~","0.0476","0.0302","","","0.0705","0.0803","","","","","","1.036","","","","has coordinates","153224","2020-10-21","18:00:00",""
"7035591","14.287","0.002","21.502","0.004","37.246","0.006","90","","90","","90","","11442","3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 F6 N P3 Ru -","- C43 H40 F6 N P3 Ru -","- C516 H480 F72 N12 P36 Ru12 -","12","3","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.","Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14341","14348","10.1039/c5dt01806d","","x-ray","0.71073","MoKα","K-L~3~","0.0679","0.0528","","","0.1167","0.1265","","","","","","1.03","","","","has coordinates,has disorder","153224","2020-10-21","18:00:00",""
"7035592","10.9534","0.0006","13.4096","0.0008","15.8099","0.0009","83.871","0.001","76.3","0.001","81.014","0.001","2222.5","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Cl6 F6 N P3 Ru -","- C40 H46 Cl6 F6 N P3 Ru -","- C80 H92 Cl12 F12 N2 P6 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.","Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14341","14348","10.1039/c5dt01806d","","x-ray","0.71073","MoKα","K-L~3~","0.057","0.0526","","","0.1316","0.1356","","","","","","1.077","","","","has coordinates,has disorder","153224","2020-10-21","18:00:00",""
"7035593","21.9074","0.0003","15.4771","0.0002","19.0631","0.0002","90","","99.922","0.001","90","","6366.92","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 F6 N P3 Ru -","- C33 H34 F6 N P3 Ru -","- C264 H272 F48 N8 P24 Ru8 -","8","2","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.","Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14341","14348","10.1039/c5dt01806d","","x-ray","0.71073","MoKα","","0.0493","0.0389","","","0.0921","0.0971","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035594","9.7934","0.0002","17.1179","0.0004","19.1737","0.0004","90","","90","","90","","3214.33","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Cl2 F3 Fe P2 Pt -","- C35 H35 Cl2 F3 Fe P2 Pt -","- C140 H140 Cl8 F12 Fe4 P8 Pt4 -","4","1","","Schwenk, R.; Togni, A.","P-Trifluoromethyl ligands derived from Josiphos in the Ir-catalysed hydrogenation of 3,4-dihydroisoquinoline hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19566","19575","10.1039/c5dt02019k","","","0.71073","MoKα","","0.0156","0.0148","","","0.0299","0.03","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035595","13.244","0.0013","15.1859","0.0015","19.438","0.0019","90","","90","","90","","3909.4","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Cl5 F3 Fe P2 Pt -","- C36 H36 Cl5 F3 Fe P2 Pt -","- C144 H144 Cl20 F12 Fe4 P8 Pt4 -","4","1","","Schwenk, R.; Togni, A.","P-Trifluoromethyl ligands derived from Josiphos in the Ir-catalysed hydrogenation of 3,4-dihydroisoquinoline hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19566","19575","10.1039/c5dt02019k","","","0.71073","MoKα","","0.0407","0.0336","","","0.0756","0.0785","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035596","9.0456","0.0004","10.8405","0.0005","14.9413","0.0006","73.393","0.003","83.369","0.004","68.356","0.003","1304.94","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl2 Co N4 S2 -","- C26 H20 Cl2 Co N4 S2 -","- C52 H40 Cl4 Co2 N8 S4 -","2","1","","Werner, Julia; Tomkowicz, Zbigniew; Rams, Michał; Ebbinghaus, Stefan G.; Neumann, Tristan; Näther, Christian","Synthesis, structure and properties of [Co(NCS)2(4-(4-chlorobenzyl)pyridine)2]n, that shows slow magnetic relaxations and a metamagnetic transition.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14149","14158","10.1039/c5dt01898f","","","0.71073","MoKα","","0.0635","0.0441","","","0.0941","0.102","","","","","","1.034","","","","has coordinates","153161","2020-10-21","18:00:00",""
"7035597","18.8098","0.0013","9.5685","0.0005","27.6126","0.0017","90","","106.867","0.007","90","","4756","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cl4 Co N6 S2 -","- C50 H40 Cl4 Co N6 S2 -","- C200 H160 Cl16 Co4 N24 S8 -","4","0.5","","Werner, Julia; Tomkowicz, Zbigniew; Rams, Michał; Ebbinghaus, Stefan G.; Neumann, Tristan; Näther, Christian","Synthesis, structure and properties of [Co(NCS)2(4-(4-chlorobenzyl)pyridine)2]n, that shows slow magnetic relaxations and a metamagnetic transition.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14149","14158","10.1039/c5dt01898f","","","0.71073","MoKα","","0.0433","0.0357","","","0.0906","0.0946","","","","","","1.057","","","","has coordinates","153161","2020-10-21","18:00:00",""
"7035604","13.5105","0.0002","12.1898","0.0002","29.9385","0.0005","90","","91.763","0.001","90","","4928.25","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 Ni O2 P2 S2 -","- C52 H74 Ni O2 P2 S2 -","- C208 H296 Ni4 O8 P8 S8 -","4","1","","Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas","Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13315","13324","10.1039/c5dt01178g","","","0.71073","MoKα","","0.0536","0.039","","","0.0996","0.1114","","","","","","1.069","","","","has coordinates","153200","2020-10-21","18:00:00",""
"7035605","9.7947","0.0005","31.5469","0.0016","19.7427","0.0011","90","","94.199","0.003","90","","6084","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mes2tBu2S2NiPCy3","","","- C66 H89 Ni O P S2 -","- C66 H89 Ni O P S2 -","- C264 H356 Ni4 O4 P4 S8 -","4","1","","Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas","Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13315","13324","10.1039/c5dt01178g","","","0.71073","MoKα","","0.1112","0.0744","","","0.1898","0.2111","","","","","","1.07","","","","has coordinates,has disorder","153200","2020-10-21","18:00:00",""
"7035606","15.8803","0.0008","20.116","0.001","17.6539","0.0009","90","","107.723","0.003","90","","5371.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mes2tBu2S2Ni2(PMe3)2","","","- C55 H78 Ni2 P2 S2 -","- C55 H78 Ni2 P2 S2 -","- C220 H312 Ni8 P8 S8 -","4","1","","Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas","Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13315","13324","10.1039/c5dt01178g","","","0.71073","MoKα","","0.0738","0.0525","","","0.1303","0.1389","","","","","","1.039","","","","has coordinates","153200","2020-10-21","18:00:00",""
"7035607","11.1421","0.0004","12.9165","0.0005","26.8959","0.001","95.241","0.001","91.529","0.001","111.598","0.001","3576.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","Mes2tBu2Ni2(PCy3)2","","","- C80 H114 Ni2 P2 S2 -","- C80 H114 Ni2 P2 S2 -","- C160 H228 Ni4 P4 S4 -","2","1","","Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas","Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13315","13324","10.1039/c5dt01178g","","","0.71073","MoKα","","0.0535","0.0392","","","0.0933","0.1013","","","","","","1.018","","","","has coordinates,has disorder","153200","2020-10-21","18:00:00",""
"7035608","11.9127","0.0003","21.186","0.0005","28.2328","0.0007","77.625","0.001","86.185","0.001","86.306","0.001","6935.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H85 Ni2 P2 S2 -","- C80 H78 Ni2 P2 S2 -","- C320 H312 Ni8 P8 S8 -","4","2","","Koch, Felix; Schubert, Hartmut; Sirsch, Peter; Berkefeld, Andreas","Binuclear complexes of Ni(i) from 4-terphenyldithiophenol.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13315","13324","10.1039/c5dt01178g","","","0.71073","MoKα","","0.0377","0.0318","","","0.0896","0.0951","","","","","","1.031","","","","has coordinates","153200","2020-10-21","18:00:00",""
"7035609","22.6315","0.0014","16.7911","0.001","26.0313","0.0017","90","","91.691","0.003","90","","9887.8","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cu O P3 -","- C54 H46 Cu O P3 -","- C432 H368 Cu8 O8 P24 -","8","2","","Chakkaradhari, Gomathy; Belyaev, Andrey A.; Karttunen, Antti J.; Sivchik, Vasily; Tunik, Sergey P.; Koshevoy, Igor O.","Alkynyl triphosphine copper complexes: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13294","13304","10.1039/c5dt01870f","","","0.71073","MoKα","","0.0819","0.0551","","","0.1506","0.1718","","","","","","1.029","","","","has coordinates,has disorder","153206","2020-10-21","18:00:00",""
"7035610","23.383","0.001","16.5769","0.0006","24.6246","0.0009","90","","113.316","0.002","90","","8765.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H41 Cu N O2 P3 -","- C53.5 H41 Cu N O2 P3 -","- C428 H328 Cu8 N8 O16 P24 -","8","2","","Chakkaradhari, Gomathy; Belyaev, Andrey A.; Karttunen, Antti J.; Sivchik, Vasily; Tunik, Sergey P.; Koshevoy, Igor O.","Alkynyl triphosphine copper complexes: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13294","13304","10.1039/c5dt01870f","","","0.71073","MoKα","","0.0733","0.0445","","","0.1004","0.112","","","","","","1.044","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7035611","24.0017","0.0017","40.189","0.003","17.001","0.0013","90","","90","","90","","16399","2","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C98 H76 Cu2 N2 O P6 -","- C98 H76 Cu2 N2 O P6 -","- C784 H608 Cu16 N16 O8 P48 -","8","0.5","","Chakkaradhari, Gomathy; Belyaev, Andrey A.; Karttunen, Antti J.; Sivchik, Vasily; Tunik, Sergey P.; Koshevoy, Igor O.","Alkynyl triphosphine copper complexes: synthesis and photophysical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13294","13304","10.1039/c5dt01870f","","","0.71073","MoKα","","0.0691","0.0428","","","0.095","0.1073","","","","","","1.054","","","","has coordinates","153206","2020-10-21","18:00:00",""
"7035612","22.543","0.005","29.134","0.006","29.168","0.006","90","","90","","90","","19157","7","293","2","293","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- C27 H17 Eu O7 -","- C27 H17 Eu O7 -","- C864 H544 Eu32 O224 -","32","","","Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14594","14603","10.1039/c5dt02054a","","","0.71073","MoKα","","0.0753","0.0724","","","0.1542","0.156","","","","","","1.249","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035613","22.482","0.005","28.996","0.006","29.067","0.006","90","","90","","90","","18948","7","293","2","293","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- C27 H17 O7 Tb -","- C27 H17 O7 Tb -","- C864 H544 O224 Tb32 -","32","","","Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14594","14603","10.1039/c5dt02054a","","","0.71073","MoKα","","0.0889","0.0816","","","0.2983","0.3096","","","","","","1.109","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035614","16.3686","0.0009","8.2405","0.0005","13.1615","0.0008","90","","90","","90","","1775.29","0.18","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H9 Co N O8 P -","- C4 H9 Co N O8 P -","- C32 H72 Co8 N8 O64 P8 -","8","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","","0.71073","MoKα","","0.0384","0.032","","","0.0762","0.0803","","","","","","1.041","","","","has coordinates,has disorder","153145","2020-10-21","18:00:00",""
"7035615","8.21854","0.00016","16.3878","0.0003","13.2772","0.0002","90","","90","","90","","1788.22","0.05","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H9 N O8 P Zn -","- C4 H9 N O8 P Zn -","- C32 H72 N8 O64 P8 Zn8 -","8","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","1.54184","CuKα","","0.0473","0.0458","","","0.1201","0.1218","","","","","","1.075","","","","has coordinates,has disorder","153145","2020-10-21","18:00:00",""
"7035616","5.56671","0.00011","15.6297","0.0003","9.54079","0.00018","90","","91.8039","0.0017","90","","829.69","0.03","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 Mn N O7 P -","- C3 H10 Mn N O7 P -","- C12 H40 Mn4 N4 O28 P4 -","4","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","1.54184","CuKα","","0.0451","0.0436","","","0.1129","0.115","","","","","","1.035","","","","has coordinates","153145","2020-10-21","18:00:00",""
"7035617","5.63389","0.0001","15.9428","0.0002","9.61828","0.00015","90","","91.1156","0.0015","90","","863.75","0.02","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 Cd N O7 P -","- C3 H10 Cd N O7 P -","- C12 H40 Cd4 N4 O28 P4 -","4","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","1.54184","CuKα","","0.0405","0.0395","","","0.1032","0.1046","","","","","","1.12","","","","has coordinates","153145","2020-10-21","18:00:00",""
"7035618","6.21517","0.00005","18.83913","0.00015","16.65678","0.00013","90","","92.2293","0.0007","90","","1948.84","0.03","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H41 Ga4 N4 O38 P7 -","- C12 H36 Ga4 N4 O38 P7 -","- C24 H72 Ga8 N8 O76 P14 -","2","0.5","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","1.54184","CuKα","","0.0516","0.05","","","0.1352","0.1377","","","","","","1.056","","","","has coordinates","153145","2020-10-21","18:00:00",""
"7035619","7.6595","0.0006","8.455","0.0004","9.6469","0.0006","91.768","0.005","111.205","0.006","115.495","0.006","512.65","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H10 In N O10 P2 -","- C3 H10 In N O10 P2 -","- C6 H20 In2 N2 O20 P4 -","2","1","","Luan, Lindong; Yang, Meng; Bian, Yixuan; Lin, Zhien; Huang, Hui","Solvent-free synthesis of new metal phosphate-oxalates: influence of different metal ions on the framework structures.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13485","13489","10.1039/c5dt01613d","","x-ray","0.71073","MoKα","","0.0246","0.0232","","","0.0584","0.0593","","","","","","1.101","","","","has coordinates","153145","2020-10-21","18:00:00",""
"7035620","18.775","0.003","15.626","0.003","12.872","0.002","90","","99.973","0.002","90","","3719.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C73 H50 Cu7 N31 O -","- C73 H48 Cu7 N31 O -","- C146 H96 Cu14 N62 O2 -","2","0.5","","He, Xiang; Fang, Kang; Guo, Xiao-Hai; Han, Jing; Lu, Xiao-Peng; Li, Ming-Xing","A homochiral Cu(i) coordination polymer based on achiral precursors and its photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13545","13549","10.1039/c5dt01328c","","","0.71073","MoKα","","0.1017","0.0562","","","0.1013","0.1158","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035621","12.292","0.0006","12.292","0.0006","22.719","0.0013","90","","90","","120","","2972.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C44 H91 Cr3 O22 -","- C44.0028 H88.0056 Cr3 O22.0012 -","- C88.0056 H176.011 Cr6 O44.0024 -","2","0.0833333","","Ghirri, Alberto; van Tol, Johan; Vitorica-Yrezabal, Inigo; Timco, Grigore A.; Winpenny, Richard E. P.","Effects of the Dzyaloshinskii-Moriya interaction in Cr3 triangular spin clusters detected by specific heat and multi-frequency electron spin resonance.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14027","14033","10.1039/c5dt01938a","","","0.71073","MoKα","","0.0919","0.0732","","","0.1961","0.2107","","","","","","1.093","","","","has coordinates,has disorder","153170","2020-10-21","18:00:00",""
"7035622","13.8295","0.0015","8.577","0.0009","13.4797","0.0014","90","","94.378","0.001","90","","1594.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F6 Ir O -","- C15 H15 F6 Ir O -","- C60 H60 F24 Ir4 O4 -","4","1","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","A (pentafluoroethyl)(trifluoromethyl)carbene complex of iridium and reductive activation of its sp(3)α, β, and γ carbon-fluorine bonds to give perfluoro-2-butyne, perfluoro-1,2,3-butatriene and perfluoro-1-irida-2-methyl-2-cyclobutene) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19518","19527","10.1039/c5dt02075a","","","0.71073","MoKα","","0.0472","0.0439","","","0.1045","0.1061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035623","15.2475","0.0009","14.3291","0.0008","7.632","0.0005","90","","90","","90","","1667.46","0.17","198.15","","198.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 F6 Ir O -","- C14 F6 Ir O -","- C56 F24 Ir4 O4 -","4","0.5","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","A (pentafluoroethyl)(trifluoromethyl)carbene complex of iridium and reductive activation of its sp(3)α, β, and γ carbon-fluorine bonds to give perfluoro-2-butyne, perfluoro-1,2,3-butatriene and perfluoro-1-irida-2-methyl-2-cyclobutene) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19518","19527","10.1039/c5dt02075a","","","0.71073","MoKα","","0.0408","0.0386","","","0.1106","0.1116","","","","","","1.172","","","","has coordinates","171163","2020-10-21","18:00:00",""
"7035624","8.859","0.005","13.268","0.007","15.839","0.008","67.025","0.007","77.333","0.008","82.147","0.007","1669.6","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F8 Ir O -","- C15 H15 F8 Ir O -","- C60 H60 F32 Ir4 O4 -","4","2","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","A (pentafluoroethyl)(trifluoromethyl)carbene complex of iridium and reductive activation of its sp(3)α, β, and γ carbon-fluorine bonds to give perfluoro-2-butyne, perfluoro-1,2,3-butatriene and perfluoro-1-irida-2-methyl-2-cyclobutene) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19518","19527","10.1039/c5dt02075a","","","0.71073","MoKα","","0.0406","0.0337","","","0.0814","0.0873","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035625","35.2163","0.0017","6.727","0.0003","9.5287","0.0005","90","","102.512","0.002","90","","2203.74","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 Cl2 N2 Pt -","- C24 H26 Cl2 N2 Pt -","- C96 H104 Cl8 N8 Pt4 -","4","1","","Albert, Joan; Bosque, Ramon; Crespo, Margarita; Granell, Jaume; López, Concepción; Martín, Raquel; González, Asensio; Jayaraman, Anusha; Quirante, Josefina; Calvis, Carme; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Cascante, Marta; Messeguer, Ramon","Neutral and ionic platinum compounds containing a cyclometallated chiral primary amine: synthesis, antitumor activity, DNA interaction and topoisomerase I-cathepsin B inhibition.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13602","13614","10.1039/c5dt01713k","","","0.71073","MoKα","","0.0158","0.0151","","","0.0346","0.0348","","","","","","1.049","","","","has coordinates","153152","2020-10-21","18:00:00",""
"7035630","14.51","0.002","19.288","0.003","24.629","0.004","90","","101.942","0.002","90","","6743.7","1.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H97 Al2 N4 Na O -","- C69 H97 Al2 N4 Na O -","- C276 H388 Al8 N16 Na4 O4 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1969","0.0811","","","0.1177","0.1386","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035631","39.766","0.01","16.373","0.004","12.36","0.003","90","","95.498","0.003","90","","8010","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 Al N2 O1.5 -","- C43 H59 Al N2 O1.5 -","- C344 H472 Al8 N16 O12 -","8","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1478","0.0877","","","0.1734","0.1993","","","","","","1.076","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7035632","15.589","0.008","15.119","0.008","23","0.012","90","","107.223","0.007","90","","5178","5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Al N2 Na O2 -","- C52 H66 Al N2 Na O2 -","- C208 H264 Al4 N8 Na4 O8 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1772","0.0849","","","0.1607","0.1811","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035633","17.619","0.004","15.448","0.003","21.942","0.005","90","","110.058","0.003","90","","5610","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H80 Al N2 Na O3 -","- C61 H80 Al N2 Na O3 -","- C244 H320 Al4 N8 Na4 O12 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.0901","0.0541","","","0.1082","0.1239","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035634","12.609","0.0017","19.913","0.003","21.881","0.003","79.478","0.002","86.486","0.002","89.329","0.002","5391.4","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.5 H80 Al N2 Na O3 Si2 -","- C49.5 H80 Al N2 Na O3 Si2 -","- C198 H320 Al4 N8 Na4 O12 Si8 -","4","2","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1292","0.065","","","0.1402","0.1736","","","","","","1.007","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7035635","15.289","0.007","15.214","0.007","22.131","0.01","90","","107.956","0.006","90","","4897","4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H63 Al N2 Na O -","- C52 H63 Al N2 Na O -","- C208 H252 Al4 N8 Na4 O4 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.211","0.132","","","0.3015","0.3269","","","","","","1.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035636","12.8201","0.0015","32.219","0.004","23.498","0.003","90","","95.188","0.002","90","","9666","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H124 Al2 N4 Na2 Si4 -","- C83 H124 Al2 N4 Na2 Si4 -","- C332 H496 Al8 N16 Na8 Si16 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1616","0.0927","","","0.1733","0.1905","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035637","8.841","0.004","12.395","0.006","18.281","0.009","84.253","0.006","87.165","0.006","76.832","0.007","1940.1","1.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Al N2 Na -","- C44 H50 Al N2 Na -","- C88 H100 Al2 N4 Na2 -","2","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1201","0.0612","","","0.1332","0.1597","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035638","19.7833","0.0017","19.3362","0.0017","28.545","0.003","90","","90","","90","","10919.4","1.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C114 H172 Al2 N4 Na2 O2 -","- C114 H172 Al2 N4 Na2 O2 -","- C456 H688 Al8 N16 Na8 O8 -","4","0.5","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1067","0.0689","","","0.1309","0.1505","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035639","21.2856","0.0016","7.6356","0.0006","18.369","0.0012","90","","93.092","0.006","90","","2981.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Mg N2 O4 -","- C38 H40 Mg N2 O4 -","- C152 H160 Mg4 N8 O16 -","4","0.5","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.0773","0.0527","","","0.1411","0.1489","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035640","14.9449","0.0004","14.0155","0.0003","15.4168","0.0004","90","","93.83","0.002","90","","3221.99","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Mg N2 O2 S2 -","- C38 H40 Mg N2 O2 S2 -","- C152 H160 Mg4 N8 O8 S8 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.0816","0.0555","","","0.1481","0.1571","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035641","12.542","0.002","21.514","0.004","10.581","0.002","90","","90","","90","","2855.1","0.9","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 Al Cl2 N2 -","- C28 H40 Al Cl2 N2 -","- C112 H160 Al4 Cl8 N8 -","4","0.5","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.107","0.0491","","","0.1127","0.143","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035642","26.279","0.003","15.6114","0.0017","15.8183","0.0017","90","","90","","90","","6489.5","1.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H48 Al Cl N2 O -","- C32 H48 Al Cl N2 O -","- C256 H384 Al8 Cl8 N16 O8 -","8","1","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.0837","0.0478","","","0.1147","0.1359","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035643","8.955","0.003","10.643","0.004","12.059","0.004","103.936","0.005","102.011","0.005","101.091","0.005","1054.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Hg N2 P S -","- C25 H19 Hg N2 P S -","- C50 H38 Hg2 N4 P2 S2 -","2","1","","Al-Jibori, Subhi A; Irzoqi, Ahmed A.; Al-Saraj, Emad G H; Al-Janabi, Ahmed S M; Basak-Modi, Sucharita; Ghosh, Shishir; Merzweiler, Kurt; Wagner, Christoph; Schmidt, Harry; Hogarth, Graeme","Formation of ortho-cyano-aminothiophenolate ligands with versatile binding modes via facile carbon-sulfur bond cleavage of 2-aminobenzothiazoles at mercury(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14217","14219","10.1039/c5dt02080h","","","0.71073","MoKα","","0.048","0.0377","","","0.0647","0.066","","","","","","0.919","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035644","9.444","0.003","12.224","0.003","13.807","0.004","86.793","0.004","79.034","0.004","87.326","0.005","1561.3","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Br Cl6 Hg N2 P S -","- C27 H20 Br Cl6 Hg N2 P S -","- C54 H40 Br2 Cl12 Hg2 N4 P2 S2 -","2","1","","Al-Jibori, Subhi A; Irzoqi, Ahmed A.; Al-Saraj, Emad G H; Al-Janabi, Ahmed S M; Basak-Modi, Sucharita; Ghosh, Shishir; Merzweiler, Kurt; Wagner, Christoph; Schmidt, Harry; Hogarth, Graeme","Formation of ortho-cyano-aminothiophenolate ligands with versatile binding modes via facile carbon-sulfur bond cleavage of 2-aminobenzothiazoles at mercury(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14217","14219","10.1039/c5dt02080h","","","0.71073","MoKα","","0.0581","0.0449","","","0.0945","0.0966","","","","","","0.942","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035645","10.7428","0.0007","11.9618","0.0007","14.014","0.0009","72.356","0.005","72.063","0.005","88.36","0.005","1628.55","0.19","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Hg N2 P2 S -","- C36 H34 Hg N2 P2 S -","- C72 H68 Hg2 N4 P4 S2 -","2","1","","Al-Jibori, Subhi A; Irzoqi, Ahmed A.; Al-Saraj, Emad G H; Al-Janabi, Ahmed S M; Basak-Modi, Sucharita; Ghosh, Shishir; Merzweiler, Kurt; Wagner, Christoph; Schmidt, Harry; Hogarth, Graeme","Formation of ortho-cyano-aminothiophenolate ligands with versatile binding modes via facile carbon-sulfur bond cleavage of 2-aminobenzothiazoles at mercury(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14217","14219","10.1039/c5dt02080h","","","0.71073","MoKα","","0.0853","0.0331","","","0.0514","0.0598","","","","","","0.698","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035646","29.325","0.005","13.413","0.005","36.016","0.005","90","","90","","90","","14166","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H104 Co9 N24 O96 P2 W18 -","- C72 H48 Co9 N24 O96 P2 W18 -","- C288 H192 Co36 N96 O384 P8 W72 -","4","0.5","","Song, Bai-Qiao; Wang, Xin-Long; Sun, Chun-Yi; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Zhao, Liang; Su, Zhong-Min","An organic-inorganic hybrid photocatalyst based on sandwich-type tetra-Co-substituted phosphotungstates with high visible light photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13818","13822","10.1039/c5dt01560j","","","0.71069","MoKα","","0.0643","0.0391","","","0.0984","0.1185","","","","","","1.044","","","","has coordinates,has disorder","153165","2020-10-21","18:00:00",""
"7035647","11.4503","0.0006","12.4739","0.0007","20.7387","0.0012","94.775","0.004","102.112","0.004","115.971","0.004","2551.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cu2 La Mo N12 O10 -","- C46 H40 Cu2 La Mo N12 O10 -","- C92 H80 Cu4 La2 Mo2 N24 O20 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0812","0.0545","","","0.1164","0.1254","","","","","","1.078","","","","has coordinates,has disorder","161122","2020-10-21","18:00:00",""
"7035648","11.4758","0.001","12.4508","0.0011","20.8054","0.0017","94.748","0.007","102.203","0.007","116.332","0.006","2550.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Ce Cu2 Mo N12 O10 -","- C46 H40 Ce Cu2 Mo N12 O10 -","- C92 H80 Ce2 Cu4 Mo2 N24 O20 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.1117","0.0514","","","0.0694","0.0805","","","","","","0.877","","","","has coordinates,has disorder","161122","2020-10-21","18:00:00",""
"7035649","11.4089","0.0004","12.4074","0.0005","20.6391","0.0009","94.967","0.003","102.028","0.003","116.494","0.003","2503","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cu2 Eu Mo N12 O10 -","- C46 H40 Cu2 Eu Mo N12 O10 -","- C92 H80 Cu4 Eu2 Mo2 N24 O20 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0728","0.0549","","","0.1301","0.1383","","","","","","1.068","","","","has coordinates,has disorder","161122","2020-10-21","18:00:00",""
"7035650","11.4193","0.0007","12.3706","0.0009","20.6069","0.0015","95.112","0.006","101.921","0.005","116.803","0.005","2486.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cu2 Mo N12 O10 Tb -","- C46 H40 Cu2 Mo N12 O10 Tb -","- C92 H80 Cu4 Mo2 N24 O20 Tb2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.1067","0.0548","","","0.1012","0.1174","","","","","","0.926","","","","has coordinates,has disorder","161122","2020-10-21","18:00:00",""
"7035651","11.3617","0.0011","12.4459","0.0011","21.2819","0.0017","105.814","0.007","92.659","0.007","116.095","0.007","2551.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.3 H44.65 Cu2 Ho Mo N12.65 O9.35 -","- C47.3 H41.95 Cu2 Ho Mo N12.65 O9.35 -","- C94.6 H83.9 Cu4 Ho2 Mo2 N25.3 O18.7 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0872","0.0487","","","0.0989","0.1086","","","","","","0.894","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035652","11.3977","0.0005","12.3689","0.0006","20.5363","0.001","95.088","0.004","101.795","0.004","116.645","0.003","2478.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H44 Cu2 N12 O10 Tb W -","- C46 H40 Cu2 N12 O10 Tb W -","- C92 H80 Cu4 N24 O20 Tb2 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.1003","0.053","","","0.1051","0.1194","","","","","","0.955","","","","has coordinates,has disorder","161122","2020-10-21","18:00:00",""
"7035653","9.0527","0.0005","20.258","0.0008","10.3391","0.0005","90","","96.115","0.004","90","","1885.29","0.16","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Dy Mo N11 O10 -","- C29 H29 Cu Dy Mo N11 O10 -","- C58 H58 Cu2 Dy2 Mo2 N22 O20 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0378","0.0316","","","0.0652","0.0666","","","","","","0.977","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035654","9.2526","0.0005","20.3849","0.0011","10.4325","0.0005","90","","96.692","0.004","90","","1954.3","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu La N11 O10 W -","- C29 H23 Cu La N11 O10 W -","- C58 H46 Cu2 La2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0945","0.0678","","","0.1569","0.1694","","","","","","0.99","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035655","9.1369","0.0003","20.3271","0.0009","10.3756","0.0003","90","","96.597","0.003","90","","1914.27","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Gd N11 O10 W -","- C29 H23 Cu Gd N11 O10 W -","- C58 H46 Cu2 Gd2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0375","0.0318","","","0.0712","0.0727","","","","","","1","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035656","9.1488","0.0018","20.356","0.004","10.386","0.002","90","","96.69","0.03","90","","1921","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu N11 O10 Tb W -","- C29 H23 Cu N11 O10 Tb W -","- C58 H46 Cu2 N22 O20 Tb2 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.067","0.0444","","","0.0754","0.0806","","","","","","0.889","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035657","9.137","0.0009","20.3334","0.0014","10.3859","0.001","90","","96.566","0.008","90","","1916.9","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H35 Cu Dy N11 O10 W -","- C29 H23 Cu Dy N11 O10 W -","- C58 H46 Cu2 Dy2 N22 O20 W2 -","2","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.1239","0.0491","","","0.0703","0.0909","","","","","","0.695","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035658","15.6813","0.001","19.0221","0.0017","17.6117","0.001","90","","90","","90","","5253.4","0.6","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C46 H40 Cu2 La Mo N12 O8 -","- C46 H40 Cu2 La Mo N12 O8 -","- C184 H160 Cu8 La4 Mo4 N48 O32 -","4","0.5","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0758","0.0471","","","0.079","0.0863","","","","","","0.91","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035659","15.376","0.003","10.184","0.002","22.865","0.005","90","","102.27","0.03","90","","3498.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl4 N4 Ni2 -","- C36 H40 Cl4 N4 Ni2 -","- C144 H160 Cl16 N16 Ni8 -","4","1","","Huang, Fang; Sun, Zelin; Du, Shizhen; Yue, Erlin; Ba, Junjun; Hu, Xinquan; Liang, Tongling; Galland, Griselda B.; Sun, Wen-Hua","Ring-tension adjusted ethylene polymerization by aryliminocycloheptapyridyl nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14281","14292","10.1039/c5dt01831e","","","0.71073","MoKα","","","0.0447","","","0.1083","0.1128","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035660","10.33","0.002","14.356","0.003","14.999","0.003","90","","104.47","0.03","90","","2153.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cl4 N4 Ni2 -","- C44 H56 Cl4 N4 Ni2 -","- C88 H112 Cl8 N8 Ni4 -","2","0.5","","Huang, Fang; Sun, Zelin; Du, Shizhen; Yue, Erlin; Ba, Junjun; Hu, Xinquan; Liang, Tongling; Galland, Griselda B.; Sun, Wen-Hua","Ring-tension adjusted ethylene polymerization by aryliminocycloheptapyridyl nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14281","14292","10.1039/c5dt01831e","","","0.71073","MoKα","","","0.0449","","","0.1303","0.1385","","","","","","1.132","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035661","20.1669","0.0015","13.19","0.003","29.964","0.007","90","","108.603","0.011","90","","7554","3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H108 Cl3 Fe N6 O12 -","- C69 H108 Cl3 Fe N6 O12 -","- C276 H432 Cl12 Fe4 N24 O48 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1261","0.0699","","","0.142","0.157","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035662","13.202","0.002","18.819","0.005","32.627","0.007","90","","91.914","0.014","90","","8102","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H60 Cl3 Cr N3 O13 P3 -","- C93 H60 Cl3 Cr N3 O13 P3 -","- C372 H240 Cl12 Cr4 N12 O52 P12 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1081","0.0734","","","0.1784","0.1938","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035663","20.219","0.0018","13.162","0.003","29.914","0.005","90","","108.729","0.01","90","","7539","2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C69 H108 Cl3 Cr N6 O12 -","- C69 H108 Cl3 Cr N6 O12 -","- C276 H432 Cl12 Cr4 N24 O48 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1342","0.0901","","","0.2062","0.2278","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035664","9.9874","0.0005","11.0867","0.0011","12.2489","0.0009","88.863","0.008","68.55","0.006","66.46","0.007","1144.57","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H44 Cl N O6 P2 -","- C55 H44 Cl N O6 P2 -","- C55 H44 Cl N O6 P2 -","1","0.5","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.1327","0.0583","","","0.1283","0.1527","","","","","","1.022","","","","has coordinates","161491","2020-10-21","18:00:00",""
"7035665","7.0389","0.0013","17.051","0.003","7.1055","0.0011","90","","102.389","0.015","90","","832.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H Cl K N O4 -","- C7 H Cl K N O4 -","- C28 H4 Cl4 K4 N4 O16 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Marchiò, Luciano; Loche, Danilo; Caneschi, Andrea; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Switching-on luminescence in anilate-based molecular materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15786","15802","10.1039/c5dt02241j","","","0.71073","MoKα","","0.0663","0.0447","","","0.1043","0.1112","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035668","16.9586","0.0011","27.5327","0.0019","8.5225","0.0005","90","","90","","90","","3979.3","0.4","180","2","180","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H22 Cl2 Mo N2 O4 -","- C18 H22 Cl2 Mo N2 O4 -","- C144 H176 Cl16 Mo8 N16 O32 -","8","0.5","","Oliveira, Tânia S M; Gomes, Ana C.; Lopes, André D; Lourenço, João P; Almeida Paz, Filipe A.; Pillinger, Martyn; Gonçalves, Isabel S","Dichlorodioxomolybdenum(vi) complexes bearing oxygen-donor ligands as olefin epoxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14139","14148","10.1039/c5dt02165k","","","0.71073","MoKα","","0.0378","0.0331","","","0.0705","0.0736","","","","","","1.07","","","","has coordinates","153163","2020-10-21","18:00:00",""
"7035669","9.6274","0.0007","12.3705","0.0009","16.45","0.0011","96.854","0.003","105.901","0.003","107.175","0.004","1756.9","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H39 Cl4 Mo2 N7 O10 -","- C20 H39 Cl4 Mo2 N7 O10 -","- C40 H78 Cl8 Mo4 N14 O20 -","2","1","","Oliveira, Tânia S M; Gomes, Ana C.; Lopes, André D; Lourenço, João P; Almeida Paz, Filipe A.; Pillinger, Martyn; Gonçalves, Isabel S","Dichlorodioxomolybdenum(vi) complexes bearing oxygen-donor ligands as olefin epoxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14139","14148","10.1039/c5dt02165k","","","0.71073","MoKα","","0.0427","0.0328","","","0.0702","0.0754","","","","","","1.031","","","","has coordinates,has disorder","153163","2020-10-21","18:00:00",""
"7035670","10.9209","0.0006","19.2268","0.0013","11.9644","0.0007","90","","101.122","0.002","90","","2465","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Mo6 N6 O21 -","- C40 H52 Mo6 N6 O21 -","- C80 H104 Mo12 N12 O42 -","2","0.5","","Gao, Junkuo; Miao, Jianwei; Li, Yongxin; Ganguly, Rakesh; Zhao, Yang; Lev, Ovadia; Liu, Bin; Zhang, Qichun","Dye-sensitized polyoxometalate for visible-light-driven photoelectrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14354","14358","10.1039/c5dt01769f","","","0.71073","MoKα","","0.0326","0.0256","","","0.0524","0.0548","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035671","10.3446","0.0016","22.319","0.003","17.307","0.003","90","","106.232","0.018","90","","3836.6","1.1","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","1,l'-bis (dipheny1phosphino)ferrocene pyridine-2-thiolato-1-oxide palladium hexafluorophosphate","","- C39 H32 F6 Fe N O P3 Pd S -","- C39 H32 F6 Fe N O P3 Pd S -","- C156 H128 F24 Fe4 N4 O4 P12 Pd4 S4 -","4","1","","Rodríguez Arce, Esteban; Mosquillo, M. Florencia; Pérez-Díaz, Leticia; Echeverría, Gustavo A; Piro, Oscar E.; Merlino, Alicia; Coitiño, E Laura; Maríngolo Ribeiro, Camila; Leite, Clarice Q. F.; Pavan, Fernando R.; Otero, Lucía; Gambino, Dinorah","Aromatic amine N-oxide organometallic compounds: searching for prospective agents against infectious diseases.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14453","14464","10.1039/c5dt00557d","","","0.71073","MoKα","","0.1826","0.0761","","","0.1348","0.1847","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035672","10.3631","0.0005","22.363","0.0011","17.3974","0.0009","90","","106.24","0.006","90","","3871","0.4","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","1,l'-bis (dipheny1phosphino)ferrocene pyridine-2-thiolato-1-oxide platinum hexafluorophosphate","","- C39 H32 F6 Fe N O P3 Pt S -","- C39 H32 F6 Fe N O P3 Pt S -","- C156 H128 F24 Fe4 N4 O4 P12 Pt4 S4 -","4","1","","Rodríguez Arce, Esteban; Mosquillo, M. Florencia; Pérez-Díaz, Leticia; Echeverría, Gustavo A; Piro, Oscar E.; Merlino, Alicia; Coitiño, E Laura; Maríngolo Ribeiro, Camila; Leite, Clarice Q. F.; Pavan, Fernando R.; Otero, Lucía; Gambino, Dinorah","Aromatic amine N-oxide organometallic compounds: searching for prospective agents against infectious diseases.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14453","14464","10.1039/c5dt00557d","","","0.71073","MoKα","","0.0829","0.0452","","","0.073","0.0864","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035673","14.684","0.004","22.575","0.007","14.269","0.004","90","","90","","90","","4730","2","100","","100","","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C H5 B11 F10 N O0.5 -","- C H5 B11 F10 N O0.5 -","- C16 H80 B176 F160 N16 O8 -","16","2","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","x-ray","0.71073","MoKα","K-L~3~","0.0454","0.0362","","","","0.0957","","","","","","1.0613","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7035674","8.647","0.005","14.863","0.007","15.435","0.008","90","","94.148","0.018","90","","1978.5","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H18 B11 F10 N O3 -","- C7 H18 B11 F10 N O3 -","- C28 H72 B44 F40 N4 O12 -","4","1","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","","0.71073","MoKα","","0.1245","0.074","","","0.1521","0.1797","","","","","","1.175","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7035675","12.356","0.004","20.211","0.006","9.735","0.003","90","","90","","90","","2431.1","1.3","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C H6 B11 F10 N O -","- C H6 B11 F10 N O -","- C8 H48 B88 F80 N8 O8 -","8","1","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","","0.71073","MoKα","","0.0669","0.0414","","","0.0738","0.0869","","","","","","1.31","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7035676","9.8577","0.0008","10.3265","0.0008","13.5715","0.0011","90","","96.499","0.002","90","","1372.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H19 B11 F N O -","- C4 H19 B11 F N O -","- C16 H76 B44 F4 N4 O4 -","4","1","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","","0.71073","MoKα","","0.0468","0.0405","","","0.1192","0.1249","","","","","","1.073","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7035677","13.3754","0.001","11.0807","0.0008","13.7559","0.001","90","","102.726","0.003","90","","1988.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B11 F10 N2 -","- C9 H23 B11 F10 N2 -","- C36 H92 B44 F40 N8 -","4","1","","Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik","Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19576","19586","10.1039/c5dt02055g","","","0.71073","MoKα","","0.0496","0.0375","","","0.092","0.0969","","","","","","1.075","","","","has coordinates","171165","2020-10-21","18:00:00",""
"7035678","10.3512","0.0008","16.2372","0.001","14.103","0.0009","90","","110.064","0.002","90","","2226.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 B2 Co2 Se2 -","- C20 H32 B2 Co2 Se2 -","- C80 H128 B8 Co8 Se8 -","4","1","","Barik, Subrat Kumar; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Synthesis and chemistry of the open-cage cobaltaheteroborane cluster [{(η(5)-C5Me5)Co}2B2H2Se2]: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14403","14410","10.1039/c5dt01511a","","x-ray","0.71073","MoKα","","0.0771","0.0485","","","0.1333","0.153","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035679","8.2464","0.0004","23.0294","0.0011","9.655","0.0005","90","","108.887","0.002","90","","1734.86","0.15","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 B2 Co Fe O3 Se2 -","- C13 H17 B2 Co Fe O3 Se2 -","- C52 H68 B8 Co4 Fe4 O12 Se8 -","4","1","","Barik, Subrat Kumar; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Synthesis and chemistry of the open-cage cobaltaheteroborane cluster [{(η(5)-C5Me5)Co}2B2H2Se2]: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14403","14410","10.1039/c5dt01511a","","x-ray","0.71073","MoKα","","0.0761","0.0435","","","0.0912","0.1044","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035680","26.4871","0.0009","7.919","0.0003","23.0086","0.0008","90","","107.309","0.002","90","","4607.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N2 O7 Tb -","- C27 H17 N2 O7 Tb -","- C216 H136 N16 O56 Tb8 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0286","0.0224","","","0.0481","0.0506","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035681","26.5873","0.0004","7.9379","0.0001","23.1031","0.0003","90","","107.384","0.001","90","","4653.14","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N2 O7 Sm -","- C27 H17 N2 O7 Sm -","- C216 H136 N16 O56 Sm8 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0327","0.0245","","","0.0505","0.0544","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035682","26.5642","0.0009","7.9347","0.0003","23.0722","0.0007","90","","107.415","0.002","90","","4640.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Eu N2 O7 -","- C27 H17 Eu N2 O7 -","- C216 H136 Eu8 N16 O56 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0404","0.028","","","0.0562","0.0609","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035683","26.6409","0.0013","7.9552","0.0004","23.1863","0.0012","90","","107.432","0.003","90","","4688.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N2 Nd O7 -","- C27 H17 N2 Nd O7 -","- C216 H136 N16 Nd8 O56 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0606","0.0361","","","0.0614","0.0692","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035684","26.4924","0.0004","7.9113","0.0001","22.9666","0.0003","90","","107.398","0.001","90","","4593.34","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Dy N2 O7 -","- C27 H17 Dy N2 O7 -","- C216 H136 Dy8 N16 O56 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0296","0.0222","","","0.0481","0.0508","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035685","26.6602","0.0008","7.9699","0.0002","23.2273","0.0007","90","","107.465","0.001","90","","4707.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N2 O7 Pr -","- C27 H17 N2 O7 Pr -","- C216 H136 N16 O56 Pr8 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0532","0.0341","","","0.0842","0.0927","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035686","26.403","0.0013","7.8892","0.0004","22.8578","0.0011","90","","107.41","0.003","90","","4543.1","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N2 O7 Yb -","- C27 H17 N2 O7 Yb -","- C216 H136 N16 O56 Yb8 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.043","0.0299","","","0.061","0.066","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035687","26.5096","0.0014","7.9323","0.0005","23.0546","0.0012","90","","107.419","0.003","90","","4625.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Gd N2 O7 -","- C27 H17 Gd N2 O7 -","- C216 H136 Gd8 N16 O56 -","8","1","","Zhao, Jie; Zhu, Guan-Hong; Xie, Li-Qiong; Wu, Ye-Si; Wu, Hai-Lun; Zhou, Ai-Ju; Wu, Zun-Yuan; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Magnetic and luminescent properties of lanthanide coordination polymers with asymmetric biphenyl-3,2',5'-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14424","14435","10.1039/c5dt01894c","","","0.71073","MoKα","","0.0566","0.0335","","","0.057","0.0631","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035688","10.428","0.0005","11.4053","0.0006","17.353","0.0009","78.001","0.004","84.932","0.004","85.131","0.004","2006.19","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 N4 O8 P2 S4 Zn -","- C30 H44 N4 O8 P2 S4 Zn -","- C60 H88 N8 O16 P4 S8 Zn2 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Mitoraj, Mariusz P.; Klein, Axel","Metal ion influences distortion of the ligand in the structure of [M{2-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2] (M = Zn(II), Cd(II)) complexes: a driving force for intermolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14101","14109","10.1039/c5dt02189h","","","0.71073","MoKα","","0.0454","0.0384","","","0.1027","0.1055","","","","","","1.203","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035689","9.7368","0.0019","10.046","0.002","21.882","0.004","97.42","0.03","99.37","0.03","109.62","0.03","1949.9","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Cd N4 O8 P2 S4 -","- C30 H44 Cd N4 O8 P2 S4 -","- C60 H88 Cd2 N8 O16 P4 S8 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Mitoraj, Mariusz P.; Klein, Axel","Metal ion influences distortion of the ligand in the structure of [M{2-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2] (M = Zn(II), Cd(II)) complexes: a driving force for intermolecular aggregation.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14101","14109","10.1039/c5dt02189h","","","0.71073","MoKα","","0.0539","0.0421","","","0.1018","0.106","","","","","","0.965","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035690","15.372","0.0004","15.372","0.0004","22.8499","0.0017","90","","90","","120","","4676","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Eu Fe7 N6 O44 P6 -","- C30 H45.96 Eu Fe7 N6 O44 P6 -","- C90 H137.88 Eu3 Fe21 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0962","0.0566","","","0.1079","0.1222","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035691","15.2875","0.0005","15.2875","0.0005","22.7526","0.0017","90","","90","","120","","4605.1","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Dy Fe7 N6 O44 P6 -","- C30 H45.96 Dy Fe7 N6 O44 P6 -","- C90 H137.88 Dy3 Fe21 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.06","0.0487","","","0.1491","0.1551","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035692","15.2935","0.0004","15.2935","0.0004","22.7749","0.0012","90","","90","","120","","4613.2","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Fe7 Ho N6 O44 P6 -","- C30 H45.96 Fe7 Ho N6 O44 P6 -","- C90 H137.88 Fe21 Ho3 N18 O132 P18 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0554","0.047","","","0.1361","0.1398","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035693","15.308","0.0003","15.308","0.0003","22.7261","0.001","90","","90","","120","","4612","0.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H46 Fe7 N6 O44 P6 Y -","- C30 H45.96 Fe7 N6 O44 P6 Y -","- C90 H137.88 Fe21 N18 O132 P18 Y3 -","3","0.166667","","Yang, Ting-Hai; Silva, Ana Rosa; Fu, Lianshe; Shi, Fa-Nian","Ionothermal synthesis, crystal structure, topology and catalytic properties of heterometallic coordination polymers constructed from N-(phosphonomethyl) iminodiacetic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13745","13751","10.1039/c5dt02176f","","","0.71073","MoKα","","0.0682","0.0448","","","0.138","0.1465","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035694","13.061","0.003","15.613","0.004","16.727","0.004","96.881","0.007","101.456","0.006","98.294","0.007","3269.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H89.5 B F7.5 N5 O4 S2 -","- C67 H89.5 B F7.5 N5 O4 S2 -","- C134 H179 B2 F15 N10 O8 S4 -","2","1","","Ghadwal, Rajendra S.; Schürmann, Christian J; Andrada, Diego M.; Frenking, Gernot","Mono- and di-cationic hydrido boron compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14359","14367","10.1039/c5dt02237a","","","0.56086","AgKα","","0.0737","0.0544","","","0.1455","0.1601","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035695","12.306","0.002","12.691","0.002","13.389","0.002","95.14","0.02","101.53","0.02","118.07","0.02","1766.6","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60.66 H85.32 B2 Cl1.32 F12 N6 O8 S4 -","- C60.66 H85.32 B2 Cl1.32 F12 N6 O8 S4 -","- C60.66 H85.32 B2 Cl1.32 F12 N6 O8 S4 -","1","0.5","","Ghadwal, Rajendra S.; Schürmann, Christian J; Andrada, Diego M.; Frenking, Gernot","Mono- and di-cationic hydrido boron compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14359","14367","10.1039/c5dt02237a","","x-ray","0.56086","AgKα","","0.0956","0.0745","","","0.2054","0.2259","","","","","","1.044","","","","has coordinates,has disorder","153234","2020-10-21","18:00:00",""
"7035696","10.754","0.0007","16.407","0.0014","18.51","0.0015","83.78","0.002","73.47","0.002","83.41","0.002","3100.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H81 B2 F6 N5 O4 S2 -","- C58 H81 B2 F6 N5 O4 S2 -","- C116 H162 B4 F12 N10 O8 S4 -","2","1","","Ghadwal, Rajendra S.; Schürmann, Christian J; Andrada, Diego M.; Frenking, Gernot","Mono- and di-cationic hydrido boron compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14359","14367","10.1039/c5dt02237a","","","0.56086","AgKα","","0.055","0.0383","","","0.0901","0.0999","","","","","","1.024","","","","has coordinates,has disorder","153234","2020-10-21","18:00:00",""
"7035697","11.624","0.002","15.921","0.003","14.028","0.002","90","","99.23","0.02","90","","2562.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 B N2 -","- C28 H43 B N2 -","- C112 H172 B4 N8 -","4","1","","Ghadwal, Rajendra S.; Schürmann, Christian J; Andrada, Diego M.; Frenking, Gernot","Mono- and di-cationic hydrido boron compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14359","14367","10.1039/c5dt02237a","","","0.71073","MoKα","","0.0631","0.0446","","","0.1078","0.1167","","","","","","1.039","","","","has coordinates","153234","2020-10-21","18:00:00",""
"7035698","5.9112","0.0002","9.9768","0.0003","12.1132","0.0003","85.594","0.002","88.593","0.002","79.055","0.001","699.27","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 N2 P2 S2 -","- C8 H20 N2 P2 S2 -","- C16 H40 N4 P4 S4 -","2","1","","Benson, Callum G. M.; Vasilenko, Vladislav; García-Rodríguez, Raúl; Bond, Andrew D.; González Calera, Silvia; Gade, Lutz H.; Wright, Dominic S.","Synthesis and structures of [S[double bond, length as m-dash](H)P(μ-NR)]2, potential building blocks for inorganic phosphorus-sulfur macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14242","14247","10.1039/c5dt02069g","","","0.71073","MoKα","","0.0305","0.0287","","","0.0766","0.0779","","","","","","1.115","","","","has coordinates","153237","2020-10-21","18:00:00",""
"7035699","8.3695","0.0019","10.1458","0.0017","15.541","0.003","90","","101.646","0.007","90","","1292.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N2 P2 S2 -","- C24 H36 N2 P2 S2 -","- C48 H72 N4 P4 S4 -","2","0.5","","Benson, Callum G. M.; Vasilenko, Vladislav; García-Rodríguez, Raúl; Bond, Andrew D.; González Calera, Silvia; Gade, Lutz H.; Wright, Dominic S.","Synthesis and structures of [S[double bond, length as m-dash](H)P(μ-NR)]2, potential building blocks for inorganic phosphorus-sulfur macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14242","14247","10.1039/c5dt02069g","","","0.71073","MoKα","","0.0697","0.0392","","","0.0763","0.0869","","","","","","1.016","","","","has coordinates","153237","2020-10-21","18:00:00",""
"7035700","10.4215","0.0003","11.0475","0.0003","9.3492","0.0003","90","","109.462","0.002","90","","1014.89","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 P2 S2 -","- C18 H24 N2 P2 S2 -","- C36 H48 N4 P4 S4 -","2","0.5","","Benson, Callum G. M.; Vasilenko, Vladislav; García-Rodríguez, Raúl; Bond, Andrew D.; González Calera, Silvia; Gade, Lutz H.; Wright, Dominic S.","Synthesis and structures of [S[double bond, length as m-dash](H)P(μ-NR)]2, potential building blocks for inorganic phosphorus-sulfur macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14242","14247","10.1039/c5dt02069g","","","1.54178","CuKα","","0.0647","0.0456","","","0.0941","0.1095","","","","","","1.048","","","","has coordinates,has disorder","153237","2020-10-21","18:00:00",""
"7035701","14.3308","0.0008","13.4896","0.0007","25.4184","0.0014","90","","100.399","0.004","90","","4833.1","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 F24 N9 P4 -","- C38 H47 F24 N9 P4 -","- C152 H188 F96 N36 P16 -","4","0.5","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","1.54178","CuKα","","0.044","0.0399","","","0.1109","0.1138","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035702","17.1961","0.0006","19.7707","0.0006","26.2271","0.0008","90","","90","","90","","8916.7","0.5","153","2","153","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C76 H86 Ag4 F24 N18 P4 -","- C76 H80 Ag4 F24 N18 P4 -","- C304 H320 Ag16 F96 N72 P16 -","4","0.25","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","1.54178","CuKα","","0.0591","0.0498","","","0.1373","0.1505","","","","","","1.04","","","","has coordinates,has disorder","153213","2020-10-21","18:00:00",""
"7035703","12.0643","0.0003","12.3563","0.0003","15.4897","0.0003","93.802","0.001","99.14","0.001","113.346","0.001","2071.7","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 F12 N9 Ni P2 -","- C38 H40 F12 N9 Ni P2 -","- C76 H80 F24 N18 Ni2 P4 -","2","1","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","0.71073","MoKα","","0.0962","0.0741","","","0.1937","0.2112","","","","","","1.011","","","","has coordinates,has disorder","153213","2020-10-21","18:00:00",""
"7035704","12.0953","0.0005","12.4132","0.0005","15.6467","0.0007","92.87","0.001","99.637","0.001","112.997","0.001","2114.67","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 F12 N9 P2 Pd -","- C38 H43 F12 N9 P2 Pd -","- C76 H86 F24 N18 P4 Pd2 -","2","1","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","0.71073","MoKα","","0.0492","0.0414","","","0.1026","0.108","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035705","12.0669","0.0002","12.3711","0.0002","15.6154","0.0003","92.946","0.001","99.601","0.001","112.867","0.001","2100.4","0.07","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 F12 N9 P2 Pt -","- C38 H43 F12.004 N9 P2 Pt -","- C76 H86 F24.008 N18 P4 Pt2 -","2","1","","Schulte To Brinke, Christian; Ekkehardt Hahn, F.","Synthesis of a flexible macrocyclic tetraimidazolium salt-precursor for a tetracarbene ligand with metal dependent coordination modes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14315","14322","10.1039/c5dt02115d","","","0.71073","MoKα","","0.0454","0.038","","","0.092","0.0951","","","","","","1.045","","","","has coordinates,has disorder","153213","2020-10-21","18:00:00",""
"7035706","12.4308","0.0002","18.9125","0.0002","15.1079","0.0002","90","","92.79","0.001","90","","3547.62","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 B F10 N3 -","- C33 H26 B F10 N3 -","- C132 H104 B4 F40 N12 -","4","1","","Cabrera, Alan R.; Rojas, Rene S.; Valderrama, Mauricio; Plüss, Pascal; Berke, Heinz; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Synthesis of new asymmetric substituted boron amidines - reactions with CO and transfer hydrogenations of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19606","19614","10.1039/c5dt01966d","","","1.54178","CuKα","","0.076","0.0525","","","0.1344","0.1486","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035707","9.9877","0.0002","11.1552","0.0002","18.1937","0.0003","72.658","0.001","82.828","0.001","66.788","0.001","1778.22","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H26 B F15 N2 -","- C35.5 H26 B F15 N2 -","- C71 H52 B2 F30 N4 -","2","1","","Cabrera, Alan R.; Rojas, Rene S.; Valderrama, Mauricio; Plüss, Pascal; Berke, Heinz; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Synthesis of new asymmetric substituted boron amidines - reactions with CO and transfer hydrogenations of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19606","19614","10.1039/c5dt01966d","","","0.71073","MoKα","","0.0632","0.0535","","","0.1227","0.1326","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035708","10.8429","0.0002","11.1654","0.0003","14.1978","0.0003","83.369","0.002","71.919","0.002","71.599","0.001","1550.14","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 B F15 N2 -","- C32 H20 B F15 N2 -","- C64 H40 B2 F30 N4 -","2","1","","Cabrera, Alan R.; Rojas, Rene S.; Valderrama, Mauricio; Plüss, Pascal; Berke, Heinz; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Synthesis of new asymmetric substituted boron amidines - reactions with CO and transfer hydrogenations of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19606","19614","10.1039/c5dt01966d","","","0.71073","MoKα","","0.0753","0.0574","","","0.1197","0.1342","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035709","7.0893","0.0003","9.9492","0.0003","19.5949","0.0007","95.151","0.001","95.806","0.001","98.625","0.001","1351.68","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H36 Fe N O4 P S -","- C29 H36 Fe N O4 P S -","- C58 H72 Fe2 N2 O8 P2 S2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.028","0.0253","","","0.0645","0.066","","","","","","1.043","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035710","8.7389","0.0002","16.9638","0.0004","13.0688","0.0003","90","","107.331","0.001","90","","1849.43","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Fe P -","- C23 H21 Fe P -","- C92 H84 Fe4 P4 -","4","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.033","0.0273","","","0.0692","0.0722","","","","","","1.044","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035711","7.8229","0.0004","11.1181","0.0005","12.0934","0.0006","101.649","0.002","94.256","0.002","90.378","0.002","1027.08","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Fe O2 P S -","- C24 H23 Fe O2 P S -","- C48 H46 Fe2 O4 P2 S2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0291","0.025","","","0.063","0.0652","","","","","","1.043","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035712","14.1802","0.0009","9.4057","0.0005","15.8036","0.001","90","","90.557","0.003","90","","2107.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Fe O2 P S -","- C24 H23 Fe O2 P S -","- C96 H92 Fe4 O8 P4 S4 -","4","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0461","0.0331","","","0.0722","0.0784","","","","","","1.019","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035713","16.2612","0.0006","18.1098","0.0007","8.3519","0.0003","90","","96.312","0.0013","90","","2444.62","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Fe O2 P S -","- C29 H25 Fe O2 P S -","- C116 H100 Fe4 O8 P4 S4 -","4","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0301","0.0269","","","0.0676","0.0697","","","","","","1.03","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035714","8.2576","0.0005","12.8146","0.0009","13.7867","0.0009","110.459","0.002","102.564","0.003","99.109","0.002","1289.58","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Fe O2 P S -","- C30 H27 Fe O2 P S -","- C60 H54 Fe2 O4 P2 S2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0419","0.0363","","","0.0984","0.1025","","","","","","1.032","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035715","9.9555","0.0003","11.1437","0.0003","15.0607","0.0004","71.439","0.001","80.3745","0.001","86.0975","0.0011","1561.45","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 Fe P2 -","- C40 H34 Fe P2 -","- C80 H68 Fe2 P4 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0477","0.0386","","","0.1017","0.1078","","","","","","1.034","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035716","8.7397","0.0002","9.2716","0.0002","18.1021","0.0005","91.2641","0.001","100.075","0.0011","95.0881","0.0011","1437.46","0.06","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H27 Br3 Fe Na O3 P S Zn -","- C25 H27 Br3 Fe Na O3 P S Zn -","- C50 H54 Br6 Fe2 Na2 O6 P2 S2 Zn2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0408","0.0287","","","0.0617","0.0651","","","","","","1.021","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035717","8.9509","0.0002","9.5006","0.0002","18.2554","0.0004","91.0698","0.0009","99.5953","0.0008","95.3065","0.0007","1523.22","0.06","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H27 Fe I3 Na O3 P S Zn -","- C25 H27 Fe I3 Na O3 P S Zn -","- C50 H54 Fe2 I6 Na2 O6 P2 S2 Zn2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0338","0.027","","","0.0548","0.0576","","","","","","1.044","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035718","8.5888","0.0007","9.6908","0.0006","19.6231","0.0015","85.139","0.003","80.198","0.003","85.628","0.003","1600.5","0.2","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","- C53 H68 Br6 Fe2 Li2 O10 P2 S2 Zn2 -","1","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.054","0.0353","","","0.0634","0.0687","","","","","","1.007","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035719","8.8279","0.0003","9.3796","0.0003","18.2463","0.0005","88.4567","0.0011","80.3074","0.0011","85.6905","0.0011","1484.9","0.08","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H27 Br3 Fe K O3 P S Zn -","- C25 H27 Br3 Fe K O3 P S Zn -","- C50 H54 Br6 Fe2 K2 O6 P2 S2 Zn2 -","2","1","","Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr","Ferrocenylmethylation reactions with a phosphinoferrocene betaine.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14494","14506","10.1039/c5dt01877c","","","0.71073","MoKα","","0.0319","0.0233","","","0.0477","0.0499","","","","","","1.037","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7035720","8.736","0.004","20.255","0.009","12.61","0.006","90","","95.847","0.015","90","","2219.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 Fe2 N6 O6 -","- C42 H40 Cl2 Fe2 N6 O6 -","- C84 H80 Cl4 Fe4 N12 O12 -","2","0.5","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.0645","0.0403","","","0.0871","0.0952","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035721","16.545","0.005","16.545","0.005","36.72","0.02","90","","90","","90","","10052","7","296","2","296","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C44 H43 Cl Fe2 N6 O9 -","- C44 H43 Cl Fe2 N6 O9 -","- C352 H344 Cl8 Fe16 N48 O72 -","8","0.5","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.1036","0.0757","","","0.1976","0.215","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035722","8.726","0.005","20.348","0.011","12.677","0.007","90","","96.148","0.01","90","","2238","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 Co2 N6 O6 -","- C42 H40 Cl2 Co2 N6 O6 -","- C84 H80 Cl4 Co4 N12 O12 -","2","0.5","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.0534","0.0369","","","0.0762","0.0808","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035723","13.6889","0.0007","13.9132","0.0007","15.1302","0.0006","90","","123.009","0.003","90","","2416.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl2 N6 Ni2 O8 -","- C44 H48 Cl2 N6 Ni2 O8 -","- C88 H96 Cl4 N12 Ni4 O16 -","2","0.5","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.0337","0.0299","","","0.0729","0.0758","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035724","10.9928","0.0002","12.0354","0.0002","18.6928","0.0003","83.421","0.001","78.423","0.001","80.37","0.001","2380.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H28 Cu N3 O7 -","- C23.5 H28 Cu N3 O7 -","- C94 H112 Cu4 N12 O28 -","4","2","","Sun, Ying-Ji; Huang, Qian-Qian; Li, Pei; Zhang, Jian-Jun","Catalytic dioxygenation of flavonol by M(II)-complexes (M = Mn, Fe, Co, Ni, Cu and Zn) - mimicking the M(II)-substituted quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13926","13938","10.1039/c5dt01760b","","","0.71073","MoKα","","0.0462","0.034","","","0.0912","0.0966","","","","","","1.006","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035725","9.7144","0.0003","11.997","0.0003","12.1652","0.0003","80.502","0.002","76.732","0.002","81.249","0.002","1351.34","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","PcZrCl2","","- C64 H32 Cl4 N16 Zr2 -","- C64 H32 Cl4 N16 Zr2 -","- C64 H32 Cl4 N16 Zr2 -","1","0.5","","Zhou, Wen; Platel, Rachel H.; Teixeira Tasso, Thiago; Furuyama, Taniyuki; Kobayashi, Nagao; Leznoff, Daniel B.","Reducing zirconium(iv) phthalocyanines and the structure of a Pc(4-)Zr complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13955","13961","10.1039/c5dt01778e","","","0.71073","MoKα","","0.0953","0.0528","","","0.1227","0.1447","","","","","","1.022","","","","has coordinates","153179","2020-10-21","18:00:00",""
"7035726","13.5859","0.0004","24.4074","0.0007","32.2986","0.0009","90","","90.156","0.0018","90","","10710.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","PcZr(LiCl)1.5(DME)3","","- C88 H77 Cl3 Li3 N16 O12 Zr2 -","- C88 H77 Cl3 Li3 N16 O12 Zr2 -","- C352 H308 Cl12 Li12 N64 O48 Zr8 -","4","1","","Zhou, Wen; Platel, Rachel H.; Teixeira Tasso, Thiago; Furuyama, Taniyuki; Kobayashi, Nagao; Leznoff, Daniel B.","Reducing zirconium(iv) phthalocyanines and the structure of a Pc(4-)Zr complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13955","13961","10.1039/c5dt01778e","","","1.54178","CuKα","","0.0844","0.0757","","","0.2312","0.2417","","","","","","1.066","","","","has coordinates,has disorder","153179","2020-10-21","18:00:00",""
"7035727","9.7219","0.0006","31.1721","0.0017","14.6705","0.0008","90","","97.112","0.003","90","","4411.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N4 O17 Zn -","- C44 H42 N4 O17 Zn -","- C176 H168 N16 O68 Zn4 -","4","1","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.0727","0.0475","","","0.1301","0.1534","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035728","15.5716","0.0006","18.7124","0.0007","20.0292","0.0007","90","","101.267","0.002","90","","5723.7","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O14 Zn -","- C24 H16 N4 O14 Zn -","- C192 H128 N32 O112 Zn8 -","8","4","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.0964","0.0709","","","0.1934","0.2187","","","","","","1.048","","","","has coordinates","153235","2020-10-21","18:00:00",""
"7035729","10.61","0.0007","12.0306","0.0009","15.6789","0.0011","90","","98.64","0.004","90","","1978.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O20 Zn -","- C36 H40 N4 O20 Zn -","- C72 H80 N8 O40 Zn2 -","2","1","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.1108","0.1038","","","0.2626","0.2653","","","","","","1.054","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7035730","35.4376","0.0015","14.2504","0.0006","20.2796","0.0009","90","","105.902","0.002","90","","9849.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 N4 O20 Zn -","- C47 H52 N4 O19 Zn -","- C376 H416 N32 O152 Zn8 -","8","1","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.0975","0.064","","","0.1759","0.1992","","","","","","1.165","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7035731","9.447","0.0002","11.2899","0.0003","14.6544","0.0004","99.037","0.002","101.948","0.002","94.145","0.002","1501.22","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 N4 O13 Zn -","- C27 H32 N4 O13 Zn -","- C54 H64 N8 O26 Zn2 -","2","1","","Shankar, Krapa; Kirillov, Alexander M.; Baruah, Jubaraj B.","A modular approach for molecular recognition by zinc dipicolinate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14411","14423","10.1039/c5dt00652j","","","0.71073","MoKα","","0.0467","0.0391","","","0.1266","0.1424","","","","","","0.936","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035732","13.2723","0.0004","13.4162","0.0003","14.652","0.001","78.952","0.006","80.569","0.006","61.141","0.004","2234.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Eu N8 O12 -","- C40 H39 Eu N8 O12 -","- C80 H78 Eu2 N16 O24 -","2","1","","Pană, Amalia; Chiriac, Florentina L.; Secu, Mihail; Pasuk, Iuliana; Ferbinteanu, Marilena; Micutz, Marin; Cîrcu, Viorel","A new class of thermotropic lanthanidomesogens: Eu(iii) nitrate complexes with mesogenic 4-pyridone ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14196","14199","10.1039/c5dt01197c","","","0.71073","MoKα","","0.0375","0.0308","","","0.069","0.0738","","","","","","1.058","","","","has coordinates,has disorder","153238","2020-10-21","18:00:00",""
"7035733","7.5163","0.0003","29.5093","0.0014","10.5848","0.0005","90","","96.773","0.002","90","","2331.33","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br F N Pt S -","- C25 H27 Br F N Pt S -","- C100 H108 Br4 F4 N4 Pt4 S4 -","4","1","","Crespo, Margarita; Font-Bardia, Mercè; Martínez, Manuel","Kinetico-mechanistic studies on the formation of seven-membered [C,N]-platinacycles: the effect of methyl or fluoro substituents on the aryl ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19543","19552","10.1039/c5dt01926e","","","0.71073","MoKα","","0.0268","0.0223","","","0.0477","0.049","","","","","","1.122","","","","has coordinates","171160","2020-10-21","18:00:00",""
"7035734","17.662","0.01","16.526","0.009","7.599","0.004","90","","97.592","0.009","90","","2199","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C116 H88 N8 O4 -","4","1","","Adhikari, Susanta; Mandal, Sandip; Ghosh, Avijit; Guria, Subhajit; Das, Debasis","Sn(ii) induced concentration dependent dynamic to static excimer conversion of a conjugated naphthalene derivative.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14388","14393","10.1039/c5dt02146d","","","0.71073","MoKα","","0.144","0.065","","","0.1449","0.214","","","","","","1.079","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7035735","40.533","0.01","40.533","0.01","64.804","0.016","90","","90","","90","","106468","5","120","2","120","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C1104 H1818 Co24 N162 O282 S24 -","- C600 H486 Co24 O126 S24 -","- C1200 H972 Co48 O252 S48 -","2","0.125","","Du, Shangchao; Yu, Tang-Qing; Liao, Wuping; Hu, Chunhua","Structure modeling, synthesis and X-ray diffraction determination of an extra-large calixarene-based coordination cage and its application in drug delivery.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14394","14402","10.1039/c5dt01526j","","","0.71073","MoKα","","0.1068","0.0893","","","0.2632","0.2875","","","","","","1.318","","","","has coordinates","153233","2020-10-21","18:00:00",""
"7035736","10.3019","0.0016","15.482","0.003","10.919","0.0016","90","","92.482","0.003","90","","1739.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br Co N2 O4 -","- C18 H17 Br Co N2 O4 -","- C72 H68 Br4 Co4 N8 O16 -","4","1","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.043","0.0317","","","0.0807","0.0842","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035737","19.719","0.002","15.6642","0.0017","27.118","0.003","90","","90","","90","","8376.3","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H66 Co7 N4 O28 -","- C86 H66 Co7 N4 O28 -","- C344 H264 Co28 N16 O112 -","4","0.5","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.0686","0.046","","","0.1191","0.128","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035738","20.27","0.004","16.336","0.003","24.664","0.005","90","","101.671","0.004","90","","7998","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H68 Co6 N4 O26 -","- C88 H68 Co6 N4 O26 -","- C352 H272 Co24 N16 O104 -","4","0.5","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.0737","0.053","","","0.1243","0.1333","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035739","24.6698","0.0015","24.6698","0.0015","9.9668","0.0012","90","","90","","90","","6065.8","0.9","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C132 H116 Br Co4 N8 Na5 O32 -","- C131.84 H115.64 Br Co4 N8 Na5 O32 -","- C263.68 H231.28 Br2 Co8 N16 Na10 O64 -","2","0.25","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.0681","0.0459","","","0.1175","0.1258","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035740","6.0848","0.0002","25.2704","0.001","10.5635","0.0004","90","","105.602","0.002","90","","1564.45","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H45 Dy O24 -","- C21 H45 Dy O24 -","- C42 H90 Dy2 O48 -","2","1","","Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13480","13484","10.1039/c4dt03980g","","","1.54178","CuKα","","0.0225","0.0218","","","0.0465","0.0467","","","","","","0.926","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035741","6.0796","0.0002","25.2483","0.0007","10.5544","0.0003","90","","105.674","0.001","90","","1559.85","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H90 Dy O48 Y -","- C42 H90 Dy O48 Y -","- C42 H90 Dy O48 Y -","1","0.5","","Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13480","13484","10.1039/c4dt03980g","","","0.71073","MoKα","","0.0144","0.0142","","","0.0361","0.0362","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035753","14.5013","0.0016","20.839","0.002","14.9042","0.0016","90","","118.255","0.001","90","","3967.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Dy6 N16 O40 -","- C54 H72 Dy6 N16 O40 -","- C108 H144 Dy12 N32 O80 -","2","0.5","","Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min","Enlarging the ring by incorporating a phosphonate coligand: from the cyclic hexanuclear to octanuclear dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14208","14212","10.1039/c5dt02468d","","","0.71073","MoKα","","0.0727","0.0424","","","0.0771","0.0868","","","","","","1.006","","","","has coordinates,has disorder","153216","2020-10-21","18:00:00",""
"7035754","16.9559","0.0018","17.133","0.0019","24.352","0.003","100.285","0.002","92.256","0.002","90.698","0.002","6954","1.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H84 Dy8 N32 O46 P4 -","- C104 H84 Dy8 N32 O46 P4 -","- C208 H168 Dy16 N64 O92 P8 -","2","1","","Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min","Enlarging the ring by incorporating a phosphonate coligand: from the cyclic hexanuclear to octanuclear dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14208","14212","10.1039/c5dt02468d","","","0.71073","MoKα","","0.1275","0.0773","","","0.1318","0.1453","","","","","","1.071","","","","has coordinates,has disorder","153216","2020-10-21","18:00:00",""
"7035755","11.8804","0.0014","21.679","0.003","16.798","0.0018","90","","103.113","0.003","90","","4213.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 Ru Si3 Sn -","- C41 H64 Ru Si3 Sn -","- C164 H256 Ru4 Si12 Sn4 -","4","1","","Kuwabara, T.; Nakada, M.; Guo, J. D.; Nagase, S.; Saito, M.","Diverse coordination modes in tin analogues of a cyclopentadienyl anion depending on the substituents on the tin atom.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16266","16271","10.1039/c5dt02202a","","","0.71073","MoKα","","0.0594","0.0466","","","0.0973","0.1028","","","","","","1.093","","","","has coordinates","161533","2020-10-21","18:00:00",""
"7035756","9.6555","0.0012","18.47","0.002","21.49","0.003","90","","95.698","0.003","90","","3813.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl Ru Si2 Sn -","- C38 H55 Cl Ru Si2 Sn -","- C152 H220 Cl4 Ru4 Si8 Sn4 -","4","1","","Kuwabara, T.; Nakada, M.; Guo, J. D.; Nagase, S.; Saito, M.","Diverse coordination modes in tin analogues of a cyclopentadienyl anion depending on the substituents on the tin atom.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16266","16271","10.1039/c5dt02202a","","","0.71073","MoKα","","0.059","0.0447","","","0.099","0.1064","","","","","","1.031","","","","has coordinates","161533","2020-10-21","18:00:00",""
"7035757","17.7751","0.0013","21.1737","0.0016","10.5846","0.0008","90","","90","","90","","3983.7","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H60 Ru Si2 Sn -","- C40 H60 Ru Si2 Sn -","- C160 H240 Ru4 Si8 Sn4 -","4","0.5","","Kuwabara, T.; Nakada, M.; Guo, J. D.; Nagase, S.; Saito, M.","Diverse coordination modes in tin analogues of a cyclopentadienyl anion depending on the substituents on the tin atom.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16266","16271","10.1039/c5dt02202a","","","0.71073","MoKα","","0.0507","0.0497","","","0.1221","0.1228","","","","","","1.176","","","","has coordinates","161533","2020-10-21","18:00:00",""
"7035758","22.212","0.002","6.9974","0.0006","26.698","0.002","90","","92.585","0.002","90","","4145.3","0.6","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","KmTB","","- C20 H26 N4 S2 -","- C20 H26 N4 S2 -","- C160 H208 N32 S16 -","8","2","","Tyson, Ginger E.; Tokmic, Kenan; Oian, Casey S.; Rabinovich, Daniel; Valle, Henry U.; Hollis, T. Keith; Kelly, John T.; Cuellar, Kristina A.; McNamara, Louis E.; Hammer, Nathan I.; Webster, Charles Edwin; Oliver, Allen G.; Zhang, Min","Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14475","14482","10.1039/c4dt03324h","","","0.71073","MoKα","","0.0601","0.0395","","","0.0837","0.0946","","","","","","1.031","","","","has coordinates,has disorder","153218","2020-10-21","18:00:00",""
"7035759","31.218","0.004","9.2969","0.0011","18.482","0.003","90","","120.004","0.003","90","","4645.2","1.1","120.04","","120.04","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H26 Cl2 N4 Pd S2 -","- C20.5 H26 Cl2 N4 Pd S2 -","- C164 H208 Cl16 N32 Pd8 S16 -","8","1","","Tyson, Ginger E.; Tokmic, Kenan; Oian, Casey S.; Rabinovich, Daniel; Valle, Henry U.; Hollis, T. Keith; Kelly, John T.; Cuellar, Kristina A.; McNamara, Louis E.; Hammer, Nathan I.; Webster, Charles Edwin; Oliver, Allen G.; Zhang, Min","Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14475","14482","10.1039/c4dt03324h","","","0.71073","MoKα","","0.0297","0.0227","","","0.0496","0.0521","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035760","6.9465","0.0011","11.113","0.0018","11.478","0.0019","104.735","0.003","92.002","0.003","99.754","0.002","841.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Fe O4 -","- C21 H16 Fe O4 -","- C42 H32 Fe2 O8 -","2","1","","Peng, Ye-Dong; Zhou, Lin-Sen; Chen, Li-Li; Ma, Lu; Zhao, Yue; Zhang, Wen-Wei; Zuo, Jing-Lin","Ferrocene-isocoumarin conjugated molecules: synthesis, structural characterization, electronic properties, and DFT-TDDFT computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14465","14474","10.1039/c5dt02169c","","","0.71073","MoKα","","0.0598","0.0404","","","0.1023","0.111","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035761","12.984","0.005","7.585","0.003","19.439","0.007","90","","109.046","0.007","90","","1809.6","1.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe O4 -","- C22 H18 Fe O4 -","- C88 H72 Fe4 O16 -","4","1","","Peng, Ye-Dong; Zhou, Lin-Sen; Chen, Li-Li; Ma, Lu; Zhao, Yue; Zhang, Wen-Wei; Zuo, Jing-Lin","Ferrocene-isocoumarin conjugated molecules: synthesis, structural characterization, electronic properties, and DFT-TDDFT computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14465","14474","10.1039/c5dt02169c","","","0.71073","MoKα","","0.0651","0.0477","","","0.0857","0.0881","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035762","12.034","0.003","15.336","0.004","17.019","0.005","90","","91.739","0.004","90","","3139.5","1.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H43 F6 Fe2 O2 P S2 -","- C26 H43 F6 Fe2 O2 P S2 -","- C104 H172 F24 Fe8 O8 P4 S8 -","4","0.5","","Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping","Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14952","14958","10.1039/c5dt01445j","","","0.71073","MoKα","","0.0596","0.0514","","","0.1343","0.1387","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035763","13.0082","0.0004","13.0082","0.0004","38.517","0.003","90","","90","","90","","6517.6","0.6","298","2","298","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C27 H45 F6 Fe2 O2 P S2 -","- C27 H45 F6 Fe2 O2 P S2 -","- C216 H360 F48 Fe16 O16 P8 S16 -","8","1","","Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping","Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14952","14958","10.1039/c5dt01445j","","","0.71073","MoKα","","0.0574","0.0471","","","0.129","0.1355","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035764","15.844","0.003","13.974","0.002","16.746","0.003","90","","108.737","0.003","90","","3511.1","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 F6 Fe2 O2 P S2 -","- C32 H47 F6 Fe2 O2 P S2 -","- C128 H188 F24 Fe8 O8 P4 S8 -","4","1","","Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping","Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14952","14958","10.1039/c5dt01445j","","","0.71073","MoKα","","0.0599","0.0448","","","0.1322","0.1413","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035765","15.237","0.002","14.235","0.002","17.525","0.003","90","","106.44","0.008","90","","3645.7","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 F6 Fe2 O2 P S2 -","- C33 H47 F6 Fe2 O2 P S2 -","- C132 H188 F24 Fe8 O8 P4 S8 -","4","1","","Dong, Xiaoliang; Liu, Litao; Zhou, Yuhan; Liu, Jun; Zhang, Yixin; Chen, Yanhui; Qu, Jingping","Synthesis of carboxylate-bridged iron-thiolate clusters from alcohols/aldehydes or carboxylate salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14952","14958","10.1039/c5dt01445j","","","0.71073","MoKα","","0.0689","0.0482","","","0.1278","0.1394","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035766","8.8108","0.0003","31.9395","0.0009","27.7375","0.0008","90","","90","","90","","7805.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","NiHttfasbz","","","- C24 H19 F3 N4 Ni S5 -","- C24 H19 F3 N4 Ni S5 -","- C288 H228 F36 N48 Ni12 S60 -","12","3","","Wise, Catherine F.; Liu, Dan; Mayer, Kathryn J.; Crossland, Patrick M.; Hartley, Carolyn L.; McNamara, William R.","A nickel complex of a conjugated bis-dithiocarbazate Schiff base for the photocatalytic production of hydrogen.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14265","14271","10.1039/c5dt02042e","","","1.54178","CuKα","","0.0224","0.0218","","","0.0547","0.055","","","","","","1.051","","","","has coordinates","153226","2020-10-21","18:00:00",""
"7035767","19.0913","0.0003","19.0913","0.0003","11.7929","0.0005","90","","90","","120","","3722.39","0.18","291","2","291","2","","","","","","","","4","P 32","P 32","145","","","","- C24 H32 O34 U4 -","- C24 H32 O34 U4 -","- C72 H96 O102 U12 -","3","1","","Wang, Juan; Wei, Zhen; Guo, Fengwan; Li, Chenyang; Zhu, Pengfei; Zhu, Wenhua","Homochiral 3D coordination polymer with unprecedented three-directional helical topology from achiral precursor: synthesis, crystal structure, and luminescence properties of uranyl succinate metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13809","13813","10.1039/c5dt02111a","","","0.71073","MoKα","","0.051","0.044","","","0.1137","0.1154","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035768","12.8914","0.0005","13.0578","0.0005","15.8885","0.0006","106.742","0.001","96.082","0.001","99.534","0.001","2492.16","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 F6 Ir N8 O4 -","- C48 H56 F6 Ir N8 O4 -","- C96 H112 F12 Ir2 N16 O8 -","2","1","","Duan, Tainan; Chang, Ting-Kuang; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Hung, Wen-Yi; Chen, Chang-Hsuan; Lee, Gene-Hsiang","Blue-emitting heteroleptic Ir(iii) phosphors with functional 2,3'-bipyridine or 2-(pyrimidin-5-yl)pyridine cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14613","14624","10.1039/c5dt01844g","","","0.71073","MoKα","","0.0384","0.0337","","","0.0815","0.0879","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035769","15.2","0.0008","15.4108","0.0008","16.1956","0.0008","63.7115","0.0009","64.9839","0.001","81.0448","0.001","3079.9","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 F3 Ir N9 O4 -","- C43 H49 F3 Ir N9 O4 -","- C86 H98 F6 Ir2 N18 O8 -","2","1","","Duan, Tainan; Chang, Ting-Kuang; Chi, Yun; Wang, Jin-Yun; Chen, Zhong-Ning; Hung, Wen-Yi; Chen, Chang-Hsuan; Lee, Gene-Hsiang","Blue-emitting heteroleptic Ir(iii) phosphors with functional 2,3'-bipyridine or 2-(pyrimidin-5-yl)pyridine cyclometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14613","14624","10.1039/c5dt01844g","","","0.71073","MoKα","","0.032","0.0284","","","0.0727","0.0741","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035770","10.6156","0.0012","7.4837","0.0008","9.2501","0.0009","112.663","0.004","85.367","0.003","107.158","0.003","647.49","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","a layered silicate","PKU-13","","- C6 N O22 Si10 -","- C6 N O22 Si10 -","- C6 N O22 Si10 -","1","0.5","","Liang, Jie; Su, Jie; Chen, Yanping; Li, Zhaofei; Li, Kuo; Zhang, Hao; Zou, Xiaodong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","Syntheses, structure solutions, and catalytic performance of two novel layered silicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15567","15575","10.1039/c5dt00487j","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0301","2.32","","","","","","","has coordinates","161359","2020-10-21","18:00:00",""
"7035771","12.6249","0.0015","7.3962","0.0004","9.2524","0.0006","112.006","0.006","72.25","0.007","88.529","0.006","753.24","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","a layered silicate","PKU-13a","","- C12 N2 O22 Si10 -","- C12 N2 O22 Si10 -","- C12 N2 O22 Si10 -","1","0.5","","Liang, Jie; Su, Jie; Chen, Yanping; Li, Zhaofei; Li, Kuo; Zhang, Hao; Zou, Xiaodong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","Syntheses, structure solutions, and catalytic performance of two novel layered silicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15567","15575","10.1039/c5dt00487j","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0325","2.18","","","","","","","has coordinates","161359","2020-10-21","18:00:00",""
"7035772","7.135","0.0002","19.239","0.0005","23.251","0.0007","90","","90","","90","","3191.67","0.16","150","2","150","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C16.5 H15.5 Bi N1.5 O6.5 -","- C15 H12 Bi N O6 -","- C120 H96 Bi8 N8 O48 -","8","1","","Burrows, Andrew D.; Jurcic, Monika; Mahon, Mary F.; Pierrat, Sandrine; Roffe, Gavin W.; Windle, Henry J.; Spencer, John","Bismuth coordination networks containing deferiprone: synthesis, characterisation, stability and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13814","13817","10.1039/c5dt02458g","","","0.71073","MoKα","","0.0785","0.0459","","","0.0956","0.1041","","","","","","1.062","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035773","10.205","0.0004","10.689","0.0004","12.874","0.0003","67.243","0.002","86.289","0.002","61.884","0.002","1130.18","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Bi N3 O8 -","- C21 H27 Bi N3 O8 -","- C42 H54 Bi2 N6 O16 -","2","1","","Burrows, Andrew D.; Jurcic, Monika; Mahon, Mary F.; Pierrat, Sandrine; Roffe, Gavin W.; Windle, Henry J.; Spencer, John","Bismuth coordination networks containing deferiprone: synthesis, characterisation, stability and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13814","13817","10.1039/c5dt02458g","","","0.71073","MoKα","","0.0494","0.038","","","0.0834","0.0878","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035774","10.317","0.0001","10.665","0.0001","12.798","0.0002","108.125","0.001","93.568","0.001","118.699","0.001","1135.44","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Bi N3 O9 -","- C21 H25.7 Bi N3 O9 -","- C42 H51.4 Bi2 N6 O18 -","2","1","","Burrows, Andrew D.; Jurcic, Monika; Mahon, Mary F.; Pierrat, Sandrine; Roffe, Gavin W.; Windle, Henry J.; Spencer, John","Bismuth coordination networks containing deferiprone: synthesis, characterisation, stability and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13814","13817","10.1039/c5dt02458g","","","0.71073","MoKα","","0.0258","0.0247","","","0.0598","0.0605","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035775","10.26","0.0002","10.756","0.0002","12.981","0.0003","66.799","0.001","87.134","0.001","62.981","0.001","1158.34","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27.5 Bi N3.5 O8 -","- C21 H24 Bi N3.5 O8 -","- C42 H48 Bi2 N7 O16 -","2","1","","Burrows, Andrew D.; Jurcic, Monika; Mahon, Mary F.; Pierrat, Sandrine; Roffe, Gavin W.; Windle, Henry J.; Spencer, John","Bismuth coordination networks containing deferiprone: synthesis, characterisation, stability and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13814","13817","10.1039/c5dt02458g","","","0.71073","MoKα","","0.0501","0.045","","","0.1157","0.1192","","","","","","1.104","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035776","8.5942","0.0006","11.745","0.0008","18.1823","0.0011","71.872","0.005","85.63","0.005","77.149","0.005","1700.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 F10 Ir N6 P -","- C36 H20 F10 Ir N6 P -","- C72 H40 F20 Ir2 N12 P2 -","2","1","","González, Iván; Dreyse, Paulina; Cortés-Arriagada, Diego; Sundararajan, Mahesh; Morgado, Claudio; Brito, Iván; Roldán-Carmona, Cristina; Bolink, Henk J.; Loeb, Bárbara","A comparative study of Ir(iii) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs).","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14771","14781","10.1039/c5dt01385b","","","0.71073","MoKα","","0.0328","0.0291","","","0.07","0.0716","","","","","","1.04","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7035777","9.4779","0.0007","12.074","0.001","15.5883","0.0011","92.099","0.006","92.269","0.006","97.083","0.007","1767.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 F10 Ir N6 O2 P -","- C36 H22 F10 Ir N6 O2 P -","- C72 H44 F20 Ir2 N12 O4 P2 -","2","1","","González, Iván; Dreyse, Paulina; Cortés-Arriagada, Diego; Sundararajan, Mahesh; Morgado, Claudio; Brito, Iván; Roldán-Carmona, Cristina; Bolink, Henk J.; Loeb, Bárbara","A comparative study of Ir(iii) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs).","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14771","14781","10.1039/c5dt01385b","","","0.71073","MoKα","","0.0523","0.0358","","","0.0664","0.07","","","","","","0.947","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7035778","14.2745","0.0007","7.386","0.0003","15.4424","0.0007","90","","90.988","0.003","90","","1627.87","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Au2 Cl6 N2 -","- C10 H8 Au2 Cl6 N2 -","- C40 H32 Au8 Cl24 N8 -","4","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0286","0.0215","","","0.0462","0.0487","","","","","","1.073","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035779","8.7748","0.0008","9.3873","0.0008","12.1551","0.0011","102.236","0.002","98.441","0.002","117.404","0.001","833.53","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Au2 Br5 N2 -","- C10 H8 Au2 Br5 N2 -","- C20 H16 Au4 Br10 N4 -","2","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0347","0.0288","","","0.0641","0.0661","","","","","","1.105","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035780","48.623","0.003","10.4011","0.0006","11.0193","0.0006","90","","90","","90","","5572.8","0.6","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Au2 Cl4 N4 -","- C8 H6 Au2 Cl4 N4 -","- C128 H96 Au32 Cl64 N64 -","16","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0225","0.0192","","","0.033","0.0336","","","","","","0.974","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035781","7.9124","0.0003","9.8485","0.0003","9.9717","0.0003","62.236","0.002","86.323","0.002","72.375","0.002","652.58","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Au2 Cl8 N8 -","- C16 H14 Au2 Cl8 N8 -","- C16 H14 Au2 Cl8 N8 -","1","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0289","0.0249","","","0.0544","0.0564","","","","","","1.119","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7035782","7.8158","0.0003","9.9916","0.0004","17.1423","0.0007","94.989","0.001","90.808","0.001","106.459","0.001","1277.91","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Au2 Br6 N8 -","- C16 H14 Au2 Br6 N8 -","- C32 H28 Au4 Br12 N16 -","2","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0406","0.0252","","","0.047","0.0505","","","","","","1.023","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035783","4.3301","0.0001","8.8484","0.0002","9.5177","0.0003","75.735","0.002","79.898","0.002","89.85","0.002","347.627","0.016","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Au Cl4 N3 -","- C10 H10 Au Cl4 N3 -","- C10 H10 Au Cl4 N3 -","1","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.021","0.0203","","","0.0298","0.0301","","","","","","1.034","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7035784","4.6997","0.0004","8.4522","0.0007","9.9255","0.0008","78.427","0.004","78.859","0.004","88.91","0.004","378.89","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Au Br4 N3 -","- C10 H10 Au Br4 N3 -","- C10 H10 Au Br4 N3 -","1","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0464","0.0405","","","0.0994","0.1039","","","","","","1.106","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7035785","8.1745","0.0005","16.2911","0.0014","9.6859","0.0005","90","","100.567","0.003","90","","1268.01","0.15","120","2","120","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C10 H10 Au Br2 N3 -","- C10 H10 Au Br2 N3 -","- C40 H40 Au4 Br8 N12 -","4","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0284","0.0265","","","0.0678","0.0691","","","","","","1.062","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7035786","7.6761","0.0003","8.1287","0.0003","14.9509","0.0005","83.223","0.002","85.307","0.002","87.353","0.002","922.63","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Au Cl4 N2 -","- C18 H13 Au Cl4 N2 -","- C36 H26 Au2 Cl8 N4 -","2","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0592","0.0361","","","0.0509","0.0555","","","","","","0.965","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035787","7.9238","0.0003","8.3217","0.0003","15.1134","0.0006","83.055","0.002","84.538","0.001","86.89","0.002","983.84","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Au Br4 N2 -","- C18 H13 Au Br4 N2 -","- C36 H26 Au2 Br8 N4 -","2","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0266","0.0236","","","0.0575","0.059","","","","","","1.112","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035788","10.7896","0.0008","15.0869","0.0012","19.6547","0.0014","90","","96.72","0.004","90","","3177.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Au2 Cl6 N4 -","- C8 H6 Au2 Cl6 N4 -","- C64 H48 Au16 Cl48 N32 -","8","2","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0523","0.0381","","","0.0766","0.0798","","","","","","1.187","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035789","9.8268","0.0004","12.1757","0.0005","14.1229","0.0006","72.562","0.002","84.9","0.002","85.943","0.002","1604.01","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Au2 Cl6 N4 -","- C8 H6 Au2 Cl6 N4 -","- C32 H24 Au8 Cl24 N16 -","4","2","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0251","0.0218","","","0.0555","0.0571","","","","","","1.049","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035790","7.3898","0.0004","14.3999","0.0008","16.9261","0.0009","90","","99.275","0.001","90","","1777.6","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Au2 Br6 N4 -","- C8 H6 Au2 Br6 N4 -","- C32 H24 Au8 Br24 N16 -","4","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0213","0.0179","","","0.037","0.0377","","","","","","1.121","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035791","10.561","0.0003","12.7883","0.0003","15.0452","0.0003","90","","106.076","0.001","90","","1952.5","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Au2 Cl6 N4 -","- C12 H12 Au2 Cl6 N4 -","- C48 H48 Au8 Cl24 N16 -","4","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0198","0.0187","","","0.0436","0.044","","","","","","1.187","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035792","12.9548","0.0004","19.2502","0.0005","13.5921","0.0004","90","","90.459","0.002","90","","3389.52","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Au Cl3 N2 -","- C18 H12 Au Cl3 N2 -","- C144 H96 Au8 Cl24 N16 -","8","2","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0532","0.0281","","","0.0596","0.0673","","","","","","1.021","","","","has coordinates,has disorder","153220","2020-10-21","18:00:00",""
"7035793","7.3458","0.0002","9.5326","0.0003","12.9472","0.0004","94.848","0.002","93.43","0.002","108.651","0.002","852.31","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Au Cl3 N2 -","- C18 H12 Au Cl3 N2 -","- C36 H24 Au2 Cl6 N4 -","2","1","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0245","0.0195","","","0.0398","0.0412","","","","","","1.028","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035794","12.7415","0.0002","15.3365","0.0003","9.38167","0.00015","90","","90","","90","","1833.27","0.05","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 Au2 Br6 N3 -","- C10 H9 Au2 Br6 N3 -","- C40 H36 Au8 Br24 N12 -","4","0.5","","Chernyshev, Alexander N.; Chernysheva, Maria V.; Hirva, Pipsa; Kukushkin, Vadim Yu; Haukka, Matti","Weak aurophilic interactions in a series of Au(iii) double salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14523","14531","10.1039/c4dt03167a","","","0.71073","MoKα","","0.0283","0.0206","","","0.0379","0.0398","","","","","","0.996","","","","has coordinates","153220","2020-10-21","18:00:00",""
"7035795","9.8982","0.0005","10.2683","0.0005","10.6425","0.0005","83.162","0.002","67.534","0.002","81.896","0.002","987.09","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","1","0.5","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14204","14207","10.1039/c5dt02404h","","","0.71073","MoKα","","0.0369","0.0354","","","0.0772","0.0782","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035796","11.0555","0.0004","17.1663","0.0006","30.4851","0.001","90.794","0.002","93.971","0.002","99.038","0.002","5698.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H76 Cl2 N4 Ni P4 Pt2 -","- C100 H76 Cl2 N4 Ni P4 Pt2 -","- C200 H152 Cl4 N8 Ni2 P8 Pt4 -","2","1","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14204","14207","10.1039/c5dt02404h","","","0.71073","MoKα","","0.1317","0.0713","","","0.2419","0.2663","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035797","11.0755","0.0002","17.2285","0.0003","30.5221","0.0006","89.714","0.001","86.025","0.001","81.048","0.001","5739.17","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H83 Cl5 Co N4 O3 P4 Pt2 -","- C101 H77 Cl5 Co N4 O3 P4 Pt2 -","- C202 H154 Cl10 Co2 N8 O6 P8 Pt4 -","2","1","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14204","14207","10.1039/c5dt02404h","","","0.71073","MoKα","","0.0885","0.0617","","","0.1987","0.2118","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035798","17.6603","0.0004","19.2398","0.0004","19.5076","0.0004","113.207","0.001","99.783","0.001","101.247","0.001","5746.7","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C204 H170 Br4 Cd2 Cl12 N8 O7 P8 Pt4 -","- C204 H156 Br4 Cd2 Cl12 N8 O7 P8 Pt4 -","- C204 H156 Br4 Cd2 Cl12 N8 O7 P8 Pt4 -","1","0.5","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14204","14207","10.1039/c5dt02404h","","","0.71073","MoKα","","0.0716","0.0513","","","0.1478","0.1566","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035799","9.773","0.0003","18.3347","0.0005","19.9481","0.0006","96.582","0.001","102.617","0.001","100.169","0.001","3389.35","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H45 Cd Cl10 N2 O P2 Pt -","- C55 H45 Cd Cl10 N2 O P2 Pt -","- C110 H90 Cd2 Cl20 N4 O2 P4 Pt2 -","2","1","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14204","14207","10.1039/c5dt02404h","","","0.71073","MoKα","","0.0718","0.0566","","","0.1735","0.1835","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035800","12.539","0.007","15.879","0.009","19.394","0.009","90","","120.25","0.03","90","","3336","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 Co2 N8 O20 -","- C74 H48 Co2 N8 O20 -","- C148 H96 Co4 N16 O40 -","2","0.5","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.0702","0.0603","","","0.1543","0.1617","","","","","","1.136","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035801","12.61","0.007","15.935","0.009","17.477","0.01","90","","101.498","0.008","90","","3441","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 Co2 N4 O11 -","- C37 H24 Co2 N4 O11 -","- C148 H96 Co8 N16 O44 -","4","1","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.1078","0.081","","","0.2013","0.225","","","","","","1.078","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035802","8.887","0.005","13.014","0.006","25.86","0.014","90","","99.819","0.005","90","","2947","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Co N2 O12 -","- C30 H26 Co N2 O12 -","- C120 H104 Co4 N8 O48 -","4","1","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.0713","0.0648","","","0.1752","0.1821","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035803","11.835","0.004","19.624","0.006","14.327","0.004","90","","90.519","0.003","90","","3327.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 Co3 N2 O12 S -","- C29 H20 Co3 N2 O12 S -","- C116 H80 Co12 N8 O48 S4 -","4","1","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.0432","0.0411","","","0.1173","0.119","","","","","","1.092","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7035804","10.553","0.004","12.789","0.006","14.443","0.006","112.206","0.006","90.401","0.005","94.839","0.002","1796.7","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Co2 N6 O14 -","- C35 H29 Co2 N6 O14 -","- C70 H58 Co4 N12 O28 -","2","1","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.0579","0.0516","","","0.1416","0.1465","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035805","19.267","0.007","12.221","0.004","24.163","0.007","90","","125.38","0.02","90","","4639","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Co2 N8 O10 -","- C45 H34 Co2 N8 O10 -","- C180 H136 Co8 N32 O40 -","4","1","","Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu","Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14673","14685","10.1039/c5dt02147b","","","0.71073","MoKα","","0.0692","0.0618","","","0.1644","0.173","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7035806","23.945","0.002","23.945","0.002","17.1792","0.0016","90","","90","","120","","8530.3","1.3","120","","120","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H57 Co8 N9 O42 -","- C75 H57 Co8 N9 O42 -","- C225 H171 Co24 N27 O126 -","3","0.5","","Yoo, Hyojong; Lee, Jeonghee; Kang, Philjae; Choi, Moon-Gun","Synthesis of cobalt cluster-based supramolecular triple-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14213","14216","10.1039/c5dt01895a","","","0.71073","MoKα","","0.076","0.0577","","","0.156","0.17","","","","","","1.081","","","","has coordinates,has disorder","153229","2020-10-21","18:00:00",""
"7035807","23.9077","0.0005","23.9077","0.0005","17.2642","0.0005","90","","90","","120","","8545.8","0.4","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C76.28 H62 Co8.51 N9.43 O44.45 -","- C76.26 H61.94 Co8.513 N9.42 O44.446 -","- C228.78 H185.82 Co25.539 N28.26 O133.338 -","3","0.5","","Yoo, Hyojong; Lee, Jeonghee; Kang, Philjae; Choi, Moon-Gun","Synthesis of cobalt cluster-based supramolecular triple-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14213","14216","10.1039/c5dt01895a","","","1.54178","CuKα","","0.083","0.0729","","","0.2014","0.2107","","","","","","1.095","","","","has coordinates,has disorder","153229","2020-10-21","18:00:00",""
"7035808","15.101","0.003","15.292","0.003","20.498","0.004","84.792","0.003","74.088","0.003","65.143","0.003","4128.8","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H133 N6 O8 Y -","- C84 H133 N6 O8 Y -","- C168 H266 N12 O16 Y2 -","2","1","","Pettinari, C.; Marchetti, F.; Pettinari, R.; Belousov, Y. A.; Taydakov, I. V.; Krasnobrov, V. D.; Petukhov, D. I.; Drozdov, A. A.","Synthesis of novel lanthanide acylpyrazolonato ligands with long aliphatic chains and immobilization of the Tb complex on the surface of silica pre-modified via hydrophobic interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14887","14895","10.1039/c5dt01964h","","","0.71073","MoKα","","0.1063","0.0688","","","0.1787","0.1988","","","","","","1.056","","","","has coordinates","161817","2020-10-21","18:00:00",""
"7035809","13.5771","0.0004","7.9566","0.0003","18.3912","0.0006","90","","103.146","0.002","90","","1934.69","0.11","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C40 H54 O12 -","- C40 H50 O12 -","- C80 H100 O24 -","2","0.5","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of a new series of octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixresorcarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14813","14822","10.1039/c5dt02363g","","","0.71073","MoKα","","0.0698","0.05","","","0.145","0.1682","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035810","11.971","0.0008","12.7057","0.0009","13.857","0.0009","94.731","0.002","108.558","0.002","106.657","0.002","1878.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O16 -","- C76 H96 N8 O16 -","- C76 H96 N8 O16 -","1","0.5","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of a new series of octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixresorcarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14813","14822","10.1039/c5dt02363g","","","0.71073","MoKα","","0.085","0.0506","","","0.1362","0.1722","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035811","26.076","0.003","20.056","0.002","16.0193","0.0019","90","","116.056","0.003","90","","7526.3","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H97 N7 O15 -","- C77 H90 N7 O15 -","- C308 H360 N28 O60 -","4","0.5","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of a new series of octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixresorcarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14813","14822","10.1039/c5dt02363g","","","0.71073","MoKα","","0.0815","0.0465","","","0.1392","0.179","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035821","18.7626","0.0003","18.7626","0.0003","37.7902","0.0014","90","","90","","120","","11521.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C10 H4 Cu N O5 -","- C10 H4 Cu N O5 -","- C180 H72 Cu18 N18 O90 -","18","0.5","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, Yunlong; Chen, De-Li; He, Yabing","Merging open metal sites and Lewis basic sites in a NbO-type metal-organic framework for improved C2H2/CH4 and CO2/CH4 separation.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14823","14829","10.1039/c5dt02089a","","","0.71073","MoKα","","0.0771","0.0708","","","0.2411","0.2471","","","","","","1.186","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035824","12.9494","0.0018","11.4113","0.0016","16.745","0.002","90","","100.262","0.002","90","","2434.8","0.6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 Fe P2 -","- C26 H24 Cl2 Fe P2 -","- C104 H96 Cl8 Fe4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0837","0.0784","","","0.159","0.161","","","","","","1.33","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035825","25.493","0.005","17.815","0.004","15.15","0.003","90","","100.394","0.004","90","","6768","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Br4 Fe2 O2 P4 -","- C52 H48 Br4 Fe2 P4 -","- C208 H192 Br16 Fe8 P16 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.092","0.0552","","","0.1141","0.1278","","","","","","0.926","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035826","18.7638","0.0005","22.9601","0.0005","14.2032","0.0004","90","","90","","90","","6119","0.3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H64 Br4 Fe2 P4 -","- C66 H64 Br4 Fe2 P4 -","- C264 H256 Br16 Fe8 P16 -","4","0.5","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.1345","0.1321","","","0.3029","0.3037","","","","","","1.332","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035827","19.3912","0.001","23.1564","0.0012","14.2453","0.0007","90","","90","","90","","6396.6","0.6","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H64 Fe2 I4 P4 -","- C66 H64 Fe2 I4 P4 -","- C264 H256 Fe8 I16 P16 -","4","0.5","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0675","0.056","","","0.1391","0.148","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035828","28.839","0.004","8.8808","0.0014","26.801","0.004","90","","122.43","0.002","90","","5793.6","1.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cl Fe P2 -","- C31 H29 Cl Fe P2 -","- C248 H232 Cl8 Fe8 P16 -","8","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0606","0.0484","","","0.114","0.1191","","","","","","1.097","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035829","10.4704","0.0003","31.8885","0.0006","18.9757","0.0005","90","","103.301","0.003","90","","6165.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cl Fe P2 Si -","- C34 H37 Cl Fe P2 Si -","- C272 H296 Cl8 Fe8 P16 Si8 -","8","2","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.096","0.0763","","","0.1866","0.1969","","","","","","1.148","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035830","13.064","0.005","11.869","0.005","22.546","0.009","90","","91.632","0.009","90","","3494","2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 Cl Fe P2 Si2 -","- C37 H45 Cl Fe P2 Si2 -","- C148 H180 Cl4 Fe4 P8 Si8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.1313","0.0959","","","0.198","0.2131","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035831","43.9941","0.0014","11.9191","0.0005","26.0793","0.0013","90","","97.39","0.005","90","","13561.6","1","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 Cl Fe P2 -","- C39 H45 Cl Fe P2 -","- C624 H720 Cl16 Fe16 P32 -","16","2","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54178","CuKα","","0.0796","0.0534","","","0.1214","0.1464","","","","","","0.737","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035832","29.199","0.002","8.8743","0.0004","26.669","0.002","90","","121.904","0.011","90","","5866.6","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.65 H35.6 Br Fe O0.82 P2 -","- C31 H29 Br Fe P2 -","- C248 H232 Br8 Fe8 P16 -","8","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0508","0.0415","","","0.0948","0.098","","","","","","1.091","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035833","11.7444","0.001","14.7448","0.0012","18.6127","0.0015","90","","108.278","0.001","90","","3060.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Br Fe P2 Si -","- C34 H37 Br Fe P2 Si -","- C136 H148 Br4 Fe4 P8 Si4 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0352","0.0272","","","0.0692","0.0731","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035834","15.321","0.0008","22.5883","0.001","10.6683","0.0005","90","","107.898","0.005","90","","3513.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Br Fe P2 Si2 -","- C37 H45 Br Fe P2 Si2 -","- C148 H180 Br4 Fe4 P8 Si8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0783","0.063","","","0.1786","0.1905","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035835","15.096","0.0006","11.5845","0.0004","21.4822","0.0008","90","","104.135","0.004","90","","3643.1","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H49 Br Fe P2 -","- C42.5 H49 Br Fe P2 -","- C170 H196 Br4 Fe4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0753","0.0501","","","0.1009","0.1081","","","","","","1.116","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035836","11.07","0.003","17.935","0.005","16.395","0.004","90","","108.345","0.005","90","","3089.6","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Fe I P2 -","- C36 H39 Fe I P2 -","- C144 H156 Fe4 I4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.1221","0.0965","","","0.2076","0.2167","","","","","","1.253","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035837","10.5992","0.0009","12.5015","0.0011","14.6903","0.0013","106.366","0.001","103.367","0.001","104.021","0.001","1715.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H41 Fe I P2 Si -","- C37.5 H41 Fe I P2 Si -","- C75 H82 Fe2 I2 P4 Si2 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0391","0.0331","","","0.0764","0.0803","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035838","22.8089","0.0006","10.9073","0.0003","28.9113","0.0009","90","","90","","90","","7192.7","0.4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Fe I P2 Si2 -","- C37 H45 Fe I P2 Si2 -","- C296 H360 Fe8 I8 P16 Si16 -","8","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0387","0.028","","","0.0585","0.062","","","","","","1.033","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035839","15.3141","0.0009","11.6027","0.0007","21.5557","0.0015","90","","104.489","0.007","90","","3708.3","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H49 Fe I P2 -","- C42.5 H49 Fe I P2 -","- C170 H196 Fe4 I4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.046","0.0398","","","0.1049","0.1111","","","","","","1.054","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035840","9.7426","0.0007","16.3594","0.0011","20.3596","0.0014","90","","100.701","0.001","90","","3188.5","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Fe I N2 P2 -","- C35 H35 Fe I N2 P2 -","- C140 H140 Fe4 I4 N8 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0399","0.0326","","","0.0724","0.0771","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035841","10.5222","0.0011","29.425","0.003","11.9465","0.0011","90","","113.942","0.005","90","","3380.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Fe I N P2 -","- C38 H42 Fe I N P2 -","- C152 H168 Fe4 I4 N4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0671","0.0553","","","0.1383","0.1445","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035842","16.1179","0.0005","17.3553","0.0006","18.4787","0.0006","112.925","0.003","91.462","0.003","108.264","0.003","4456.1","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H101 Fe2 I2 N9 P4 Si2 -","- C86 H101 Fe2 I2 N9 P4 Si2 -","- C172 H202 Fe4 I4 N18 P8 Si4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0728","0.0493","","","0.1169","0.127","","","","","","1.02","","","","has coordinates,has disorder","153164","2020-10-21","18:00:00",""
"7035843","9.6688","0.0004","22.2994","0.0008","9.898","0.0004","90","","114.542","0.001","90","","1941.29","0.13","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H48 Fe I N P2 Si2 -","- C39 H48 Fe I N P2 Si2 -","- C78 H96 Fe2 I2 N2 P4 Si4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0225","0.0219","","","0.0519","0.0521","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035844","16.2881","0.0012","11.4383","0.0007","21.012","0.0015","90","","106.446","0.008","90","","3754.5","0.5","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H48 Fe I N P2 -","- C41 H48 Fe I N P2 -","- C164 H192 Fe4 I4 N4 P8 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0678","0.0666","","","0.1718","0.1746","","","","","","1.044","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7035845","10.2438","0.0006","18.3796","0.001","53.779","0.003","90","","90","","90","","10125.3","1","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Fe P2 -","- C31 H30 Fe P2 -","- C496 H480 Fe16 P32 -","16","2","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0972","0.0717","","","0.1364","0.1449","","","","","","1.167","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7035846","8.35153","0.00011","55.5074","0.0009","19.5329","0.0002","90","","90.0754","0.0013","90","","9054.9","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe P2 -","- C36 H40 Fe P2 -","- C432 H480 Fe12 P24 -","12","3","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.122","0.0976","","","0.2137","0.2262","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035847","12.72","0.002","11.944","0.0019","19.763","0.003","90","","101.587","0.003","90","","2941.4","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Fe P2 Si -","- C34 H38 Fe P2 Si -","- C136 H152 Fe4 P8 Si4 -","4","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0795","0.0604","","","0.1209","0.1292","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035848","10.4436","0.0009","12.1318","0.0009","14.9708","0.0012","95.886","0.007","105.839","0.008","100.297","0.007","1772.3","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Fe P2 Si2 -","- C37 H46 Fe P2 Si2 -","- C74 H92 Fe2 P4 Si4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0971","0.0697","","","0.1648","0.1812","","","","","","1.049","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035849","10.505","0.003","15.496","0.005","10.99","0.003","90","","110.602","0.006","90","","1674.6","0.9","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C39 H46 Fe P2 -","- C39 H46 Fe P2 -","- C78 H92 Fe2 P4 -","2","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.1156","0.0776","","","0.1694","0.1855","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035850","9.611","0.004","20.206","0.008","20.631","0.006","102.042","0.013","89.995","0.009","96.848","0.008","3889","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Cu N4 P Si2 -","- C32 H54 Cu N4 P Si2 -","- C128 H216 Cu4 N16 P4 Si8 -","4","2","","Khalili Najafabadi, Bahareh; Corrigan, John F.","Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14235","14241","10.1039/c5dt02040a","","","0.71073","MoKα","","0.1476","0.128","","","0.331","0.3411","","","","","","1.323","","","","has coordinates,has disorder","153217","2020-10-21","18:00:00",""
"7035851","9.813","0.007","15.477","0.01","16.325","0.009","62.453","0.015","73.25","0.02","77.325","0.018","2094","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H116 Cu6 O P6 Si12 -","- C40 H116 Cu6 O P6 Si12 -","- C40 H116 Cu6 O P6 Si12 -","1","0.5","","Khalili Najafabadi, Bahareh; Corrigan, John F.","Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14235","14241","10.1039/c5dt02040a","","","0.71073","MoKα","","0.1119","0.0585","","","0.151","0.1833","","","","","","1.033","","","","has coordinates","153217","2020-10-21","18:00:00",""
"7035852","9.836","0.002","15.683","0.003","16.709","0.003","63.81","0.03","74.78","0.03","79.34","0.03","2224.6","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H116 Ag6 O P6 Si12 -","- C40 H116 Ag6 O P6 Si12 -","- C40 H116 Ag6 O P6 Si12 -","1","0.5","","Khalili Najafabadi, Bahareh; Corrigan, John F.","Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14235","14241","10.1039/c5dt02040a","","","0.71073","MoKα","","0.078","0.049","","","0.1319","0.1489","","","","","","1.048","","","","has coordinates,has disorder","153217","2020-10-21","18:00:00",""
"7035853","22.988","0.007","10.325","0.003","18.132","0.004","90","","94.917","0.008","90","","4288","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cu N2 P Si2 -","- C40 H62 Cu N2 P Si2 -","- C160 H248 Cu4 N8 P4 Si8 -","4","1","","Khalili Najafabadi, Bahareh; Corrigan, John F.","Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14235","14241","10.1039/c5dt02040a","","","0.71073","MoKα","","0.1145","0.0925","","","0.252","0.263","","","","","","1.11","","","","has coordinates","153217","2020-10-21","18:00:00",""
"7035854","14.4144","0.001","23.3964","0.0017","15.5641","0.0011","90","","107.632","0.001","90","","5002.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H156 Cd5 N12 O40 -","- C84 H48 Cd5 N4 O26 -","- C168 H96 Cd10 N8 O52 -","2","0.5","","Shen, Yu; Yang, Xu-Feng; Zhu, Hai-Bin; Zhao, Yue; Li, Wei-Si","A unique 3D metal-organic framework based on a 12-connected pentanuclear Cd(ii) cluster exhibiting proton conduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14741","14746","10.1039/c5dt02544c","","","0.71073","MoKα","","0.0824","0.0764","","","0.1922","0.1947","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035855","11.098","0.002","12.728","0.003","13.176","0.003","110.47","0.03","97.61","0.03","111.72","0.03","1544.8","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Cu N10 O44 Si W12 -","- C32 H34 Cu N10 O44 Si W12 -","- C32 H34 Cu N10 O44 Si W12 -","1","0.5","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0812","0.0695","","","0.1401","0.1468","","","","","","1.062","","","","has coordinates","161812","2020-10-21","18:00:00",""
"7035856","11.11","0.002","12.786","0.003","13.191","0.003","110.394","0.003","97.412","0.003","111.891","0.002","1555.8","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Cu Ge N10 O44 W12 -","- C32 H34 Cu Ge N10 O44 W12 -","- C32 H34 Cu Ge N10 O44 W12 -","1","0.5","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0759","0.0557","","","0.1103","0.1238","","","","","","1.071","","","","has coordinates","161812","2020-10-21","18:00:00",""
"7035857","11.1938","0.0013","12.7022","0.0014","13.1616","0.0015","110.302","0.002","98.157","0.002","111.88","0.002","1547.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Cu Mo12 N10 O44 Si -","- C32 H32 Cu Mo12 N10 O44 Si -","- C32 H32 Cu Mo12 N10 O44 Si -","1","0.5","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0983","0.0876","","","0.2099","0.225","","","","","","1.051","","","","has coordinates","161812","2020-10-21","18:00:00",""
"7035858","13.8585","0.0007","21.4521","0.0011","21.8852","0.0012","90","","100.301","0.001","90","","6401.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 Cu2.5 Mo12 N7 O43.5 Si -","- C36 H30 Cu2.5 Mo12 N7 O43.5 Si -","- C144 H120 Cu10 Mo48 N28 O174 Si4 -","4","1","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0929","0.0515","","","0.138","0.1685","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035859","13.88","0.002","21.66","0.003","21.898","0.003","90","","100.354","0.002","90","","6476.2","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cu2.5 Ge N7 O44 W12 -","- C36 H30 Cu2.5 Ge N7 O44 W12 -","- C144 H120 Cu10 Ge4 N28 O176 W48 -","4","1","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0826","0.0514","","","0.1015","0.1211","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035860","14.01","0.003","14.252","0.003","17.35","0.003","99.63","0.03","94.38","0.03","94.97","0.03","3388","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Cu3 Ge N6 O49.5 W12 -","- C36 H29 Cu3 Ge N6 O49.5 W12 -","- C72 H58 Cu6 Ge2 N12 O99 W24 -","2","1","","Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14830","14841","10.1039/c5dt02060c","","","0.71073","MoKα","","0.0738","0.0612","","","0.1436","0.1522","","","","","","1.075","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035861","6.888","0.0014","9.516","0.0019","22.333","0.005","91.24","0.03","94.48","0.03","94.64","0.03","1454","0.5","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C68 H64 N4 O16 -","2","1","","Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.","Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17494","17507","10.1039/c5dt02323h","","","0.7109","Synchrotron","","0.0605","0.0507","","","0.1344","0.1421","","","","","","1.035","","","","has coordinates","161963","2020-10-21","18:00:00",""
"7035862","11.878","0.002","11.944","0.002","13.199","0.003","76.18","0.03","79.76","0.03","75.16","0.03","1744.1","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H84 N6 Ni3 O24 -","- C74 H84 N6 Ni3 O24 -","- C74 H84 N6 Ni3 O24 -","1","0.5","","Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.","Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17494","17507","10.1039/c5dt02323h","","","0.7109","Synchrotron","","0.0383","0.0358","","","0.0942","0.096","","","","","","1.071","","","","has coordinates","161963","2020-10-21","18:00:00",""
"7035863","5.954","0.0012","13.521","0.003","13.942","0.003","95.02","0.03","94.33","0.03","99.72","0.03","1097.4","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N2 O5 Zn -","- C20 H21 N2 O5 Zn -","- C40 H42 N4 O10 Zn2 -","2","1","","Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.","Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17494","17507","10.1039/c5dt02323h","","","0.7109","Synchrotron","","0.0972","0.0835","","","0.2089","0.2199","","","","","","1.004","","","","has coordinates,has disorder","161963","2020-10-21","18:00:00",""
"7035864","12.437","0.003","15.586","0.003","30.335","0.006","90","","90.86","0.03","90","","5880","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 N2 O12 S4 Zn2 -","- C41.9999 H51.9994 N2 O12 S3.9999 Zn2 -","- C168 H207.998 N8 O48 S15.9996 Zn8 -","4","1","","Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.","Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17494","17507","10.1039/c5dt02323h","","","0.7109","Synchrotron","","0.1103","0.0842","","","0.2305","0.2541","","","","","","1.032","","","","has coordinates,has disorder","161963","2020-10-21","18:00:00",""
"7035865","7.612","0.0015","13.231","0.003","14.107","0.003","81.58","0.03","84.39","0.03","84.86","0.03","1394.6","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 N4 O10 S2 Zn2 -","- C50 H50 N4 O10 S2 Zn2 -","- C50 H50 N4 O10 S2 Zn2 -","1","0.5","","Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.","Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17494","17507","10.1039/c5dt02323h","","","0.7109","Synchrotron","","0.0413","0.0382","","","0.0973","0.0992","","","","","","1.062","","","","has coordinates","161963","2020-10-21","18:00:00",""
"7035866","32.708","0.0006","13.4864","0.0002","36.4446","0.0007","90","","122.417","0.001","90","","13571","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[27‒phenyltetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato] europium(III)","","- C78 H42 Eu N14 -","- C78 H42 Eu N14 -","- C624 H336 Eu8 N112 -","8","2","","Pushkarev, Victor E.; Kalashnikov, Valery V.; Tolbin, Alexander Yu; Trashin, Stanislav A.; Borisova, Nataliya E.; Simonov, Sergey V.; Rybakov, Victor B.; Tomilova, Larisa G.; Zefirov, Nikolay S.","meso-Phenyltetrabenzotriazaporphyrin based double-decker lanthanide(iii) complexes: synthesis, structure, spectral properties and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16553","16564","10.1039/c5dt01933h","","","1.54186","CuKα","","0.2168","0.0546","","","0.0252","0.036","","","","","","0.585","","","","has coordinates","161632","2020-10-21","18:00:00",""
"7035867","16.74","0.0001","16.555","0.0001","19.476","0.0001","90","","109.727","0.001","90","","5080.63","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C57 H70 F N4 P2 Ru -","- C57 H70 F N4 P2 Ru -","- C228 H280 F4 N16 P8 Ru4 -","4","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","","0.71073","MoKα","","0.0582","0.037","","","0.0767","0.0851","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035868","31.0451","0.0007","8.9768","0.0002","14.4306","0.0003","90","","90","","90","","4021.6","0.15","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H48 F5 N4 P Ru -","- C42 H48 F5 N4 P Ru -","- C168 H192 F20 N16 P4 Ru4 -","4","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","","0.71073","MoKα","","0.0502","0.0402","","","0.0877","0.0942","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035869","12.669","0.0002","13.153","0.0002","15.59","0.0003","96.3","0.001","105.626","0.001","116.893","0.001","2148.64","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H47 F5 N2 P2 Ru -","- C51 H47 F5 N2 P2 Ru -","- C102 H94 F10 N4 P4 Ru2 -","2","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","","0.71073","MoKα","","0.0516","0.0338","","","0.0685","0.0746","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035870","17.481","0.0004","15.6824","0.0003","20.8972","0.0004","90","","90.399","0.002","90","","5728.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H81 F3 N4 O2 P2 Ru -","- C62 H79 F3 N4 O2 P2 Ru -","- C248 H316 F12 N16 O8 P8 Ru4 -","4","1","","Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K.","Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene).","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19597","19605","10.1039/c5dt01996f","","x-ray","0.71073","MoKα","","0.0614","0.042","","","0.0949","0.1046","","","","","","1.025","","","","has coordinates,has disorder","171174","2020-10-21","18:00:00",""
"7035871","13.9247","0.0002","13.3155","0.0002","18.1663","0.0002","90","","96.4251","0.0008","90","","3347.14","0.08","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Br2 N O8 P Pd -","- C33 H28 Br2 N O8 P Pd -","- C132 H112 Br8 N4 O32 P4 Pd4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio","The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","15049","15058","10.1039/c5dt01884f","","","0.71073","MoKα","","0.0682","0.0409","","","0.0893","0.1034","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035872","11.7017","0.0001","26.5544","0.0003","12.1475","0.0001","90","","100.566","0.0004","90","","3710.61","0.06","295","","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Br2 Cl2 N O8 P Pd -","- C35 H32 Br2 Cl2 N O8 P Pd -","- C140 H128 Br8 Cl8 N4 O32 P4 Pd4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio","The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","15049","15058","10.1039/c5dt01884f","","","0.71073","MoKα","","0.0649","0.0453","","","0.1133","0.1247","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7035873","11.8881","0.0001","27.2222","0.0003","12.0742","0.0002","90","","100.729","0.0005","90","","3839.15","0.08","295","","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Cl2 I2 N O8 P Pd -","- C35 H32 Cl2 I2 N O8 P Pd -","- C140 H128 Cl8 I8 N4 O32 P4 Pd4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio","The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","15049","15058","10.1039/c5dt01884f","","","0.71073","MoKα","","0.0866","0.0371","","","0.0708","0.0833","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035874","12.4699","0.0012","13.2334","0.0013","13.5944","0.0013","61.105","0.001","69.682","0.002","71.28","0.002","1809.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Br6 N4 Nd2 O18 -","- C72 H52 Br6 N4 Nd2 O18 -","- C72 H52 Br6 N4 Nd2 O18 -","1","0.5","","Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao","Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14877","14886","10.1039/c5dt01969a","","","0.71073","MoKα","","0.1839","0.0897","","","0.1175","0.1613","","","","","","0.981","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035875","12.3319","0.0013","13.0886","0.0014","13.1255","0.0011","61.535","0.001","74.326","0.001","77.266","0.002","1782.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Br6 Er2 N4 O18 -","- C72 H52 Br6 Er2 N4 O18 -","- C72 H52 Br6 Er2 N4 O18 -","1","0.5","","Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao","Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14877","14886","10.1039/c5dt01969a","","","0.71073","MoKα","","0.1904","0.095","","","0.1936","0.2425","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035876","12.303","0.0011","13.0809","0.0012","13.1291","0.0014","61.648","0.001","74.223","0.001","77.406","0.002","1779.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Br6 Ho2 N4 O18 -","- C72 H52 Br6 Ho2 N4 O18 -","- C72 H52 Br6 Ho2 N4 O18 -","1","0.5","","Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao","Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14877","14886","10.1039/c5dt01969a","","","0.71073","MoKα","","0.0961","0.0654","","","0.1516","0.1716","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035877","12.4625","0.0011","13.2328","0.0012","13.5772","0.0014","60.842","0.001","69.776","0.001","71.198","0.002","1802.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Br6 N4 O18 Sm2 -","- C72 H52 Br6 N4 O18 Sm2 -","- C72 H52 Br6 N4 O18 Sm2 -","1","0.5","","Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao","Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14877","14886","10.1039/c5dt01969a","","","1.54178","CuKα","","0.1749","0.0974","","","0.1717","0.2596","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035878","12.5785","0.0009","27.1993","0.0019","20.0728","0.0013","90","","94.106","0.004","90","","6849.8","0.8","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cu4 F24 N18 P4 -","- C38 H46 Cu4 F23.994 N18 P3.999 -","- C152 H184 Cu16 F95.976 N72 P15.996 -","4","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0508","0.0441","","","0.1235","0.1284","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035879","20.099","0.009","10.385","0.004","13.286","0.005","90","","91.55","0.04","90","","2772.1","1.9","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cu2 F12 N8 P2 -","- C19 H24 Cu2 F12 N8 P2 -","- C76 H96 Cu8 F48 N32 P8 -","4","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.037","0.0281","","","0.064","0.0677","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035880","20.5116","0.0004","10.3863","0.0002","13.2141","0.0003","90","","92.212","0.001","90","","2813.03","0.1","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Au2 F12 N8 P2 -","- C19 H24 Au2 F12 N8 P2 -","- C76 H96 Au8 F48 N32 P8 -","4","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0326","0.0216","","","0.0392","0.0419","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035881","10.3012","0.0003","11.7988","0.0004","12.1199","0.0004","61.167","0.001","70.741","0.001","85.349","0.001","1212.81","0.07","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C17 H20 F12 N8 Ni P2 -","- C17 H20 F12 N8 Ni P2 -","- C34 H40 F24 N16 Ni2 P4 -","2","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0369","0.0308","","","0.0728","0.0754","","","","","","1.044","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7035882","10.3598","0.0006","12.0333","0.0006","12.0391","0.0008","60.019","0.002","71.75","0.003","77.024","0.002","1230.38","0.13","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C17 H20 F12 N8 P2 Pt -","- C17 H20 F12 N8 P2 Pt -","- C34 H40 F24 N16 P4 Pt2 -","2","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0374","0.0332","","","0.0767","0.0783","","","","","","1.016","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7035883","10.62","0.0002","13.0884","0.0002","40.5195","0.0006","90","","90","","90","","5632.16","0.16","123","","123","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 F12 N9 Ni P2 -","- C21 H27 F12 N9 Ni P2 -","- C168 H216 F96 N72 Ni8 P16 -","8","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0537","0.0351","","","0.0765","0.0841","","","","","","1.017","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7035884","14.7168","0.0003","11.1897","0.0003","24.0049","0.0005","90","","93.777","0.001","90","","3944.46","0.16","123","","123","","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C19 H24 F12 N8 P2 Pd -","- C19 H24 F12 N8 P2 Pd -","- C114 H144 F72 N48 P12 Pd6 -","6","3","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0515","0.0437","","","0.078","0.0805","","","","","","1.141","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035885","19.9505","0.0004","26.1623","0.0007","14.5631","0.0004","90","","90","","90","","7601.2","0.3","123","","123","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C27 H44 F12 Fe N10 P4 -","- C27 H44 F12 Fe N10 P4 -","- C216 H352 F96 Fe8 N80 P32 -","8","0.5","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0328","0.0281","","","0.0655","0.0675","","","","","","1.041","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7035886","12.5032","0.0003","14.0746","0.0004","20.8711","0.0005","90","","90.077","0.001","90","","3672.84","0.16","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 F12 Fe N10 P3 -","- C26 H39 F12 Fe N10 P3 -","- C104 H156 F48 Fe4 N40 P12 -","4","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0605","0.0405","","","0.0819","0.0894","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035887","16.261","0.004","17.318","0.004","19.98","0.005","92.311","0.004","90.557","0.004","111.324","0.003","5235","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H105 Cl6 Dy5 O24 S4 -","- C74 H100 Cl6 Dy5 O24 S4 -","- C148 H200 Cl12 Dy10 O48 S8 -","2","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.0993","0.0615","","","0.1769","0.2377","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035888","16.251","0.003","17.345","0.003","20.033","0.004","92.282","0.004","90.548","0.003","111.113","0.003","5261.8","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H103 Cl6 Ho5 O23 S4 -","- C74 H98 Cl6 Ho5 O23 S4 -","- C148 H196 Cl12 Ho10 O46 S8 -","2","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.0956","0.0504","","","0.143","0.1756","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035889","16.261","0.004","17.318","0.004","19.98","0.005","92.311","0.004","90.557","0.004","111.324","0.003","5235","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H103 Cl6 Er5 O23 S4 -","- C74 H98 Cl6 Er5 O23 S4 -","- C148 H196 Cl12 Er10 O46 S8 -","2","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.1109","0.0606","","","0.1711","0.2373","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035890","55.691","0.004","15.6952","0.0012","41.884","0.003","90","","91.941","0.001","90","","36589","5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C145 H189 Dy5 O26 S12 -","- C145 H189 Dy5 O26 S12 -","- C1160 H1512 Dy40 O208 S96 -","8","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.0592","0.0437","","","0.1291","0.1371","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035891","55.685","0.006","15.6679","0.0018","41.807","0.005","90","","91.872","0.002","90","","36456","7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C145 H189 Ho5 O26 S12 -","- C145 H189 Ho5 O26 S12 -","- C1160 H1512 Ho40 O208 S96 -","8","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.0606","0.0461","","","0.1196","0.127","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035892","55.655","0.003","15.6529","0.0008","41.778","0.002","90","","91.84","0.001","90","","36377","3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C145 H189 Er5 O26 S12 -","- C145 H189 Er5 O26 S12 -","- C1160 H1512 Er40 O208 S96 -","8","1","","Ge, Jing-Yuan; Ru, Jing; Gao, Feng; Song, You; Zhou, Xin-Hui; Zuo, Jing-Lin","Pentanuclear lanthanide pyramids based on thiacalix[4]arene ligand exhibiting slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15481","15490","10.1039/c5dt02062j","","","0.71073","MoKα","","0.0615","0.0436","","","0.1234","0.1305","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035893","19.8077","0.0002","20.2005","0.0002","20.3525","0.0002","90","","95.825","0.004","90","","8101.5","0.15","225","2","225","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H72 Ce2 Mo10 N2 O50 S12 -","- C24 H72 Ce2 Mo10 N2 O50 S12 -","- C96 H288 Ce8 Mo40 N8 O200 S48 -","4","1","","Khélifa, A Ben; Belkhiria, M. Salah; Huang, G.; Freslon, S.; Guillou, O.; Bernot, K.","Single-molecule magnet behaviour in polynuclear assembly of trivalent cerium ions with polyoxomolybdates.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16458","16464","10.1039/c5dt02377g","","","0.71073","MoKα","","0.0823","0.0483","","","0.0905","0.1032","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035894","9.6004","0.0004","15.6899","0.0004","22.9678","0.0005","97.535","0.002","93.734","0.003","96.04","0.003","3399.76","0.18","293","0.1","293","0.1","","","","","","","no","6","P -1","-P 1","2","","alpha-[BiBr3(bp2mo)2]","","- C20 H16 Bi Br3 N4 O2 -","- C20 H16 Bi Br3 N4 O2 -","- C120 H96 Bi6 Br18 N24 O12 -","6","3","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Forni, Alessandra; Meinardi, Francesco; Botta, Chiara","Aggregation induced phosphorescent N-oxyde-2,2'-bipyridine bismuth complexes and polymorphism-dependent emission.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14589","14593","10.1039/c5dt01801c","","","1.54184","CuKα","","0.0384","0.0286","","","0.07","0.0995","","","","","","1.171","","","","has coordinates","161822","2020-10-21","18:00:00",""
"7035895","9.748","0.001","13.011","0.001","18.253","0.003","90","","91.88","0.01","90","","2313.8","0.5","293","2","293","2","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","","beta-[BiBr3(bp2mo)2]","","- C20 H16 Bi Br3 N4 O2 -","- C20 H16 Bi Br3 N4 O2 -","- C80 H64 Bi4 Br12 N16 O8 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Forni, Alessandra; Meinardi, Francesco; Botta, Chiara","Aggregation induced phosphorescent N-oxyde-2,2'-bipyridine bismuth complexes and polymorphism-dependent emission.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14589","14593","10.1039/c5dt01801c","","","0.71073","MoKα","","0.1497","0.0716","","","0.1825","0.2454","","","","","","1.02","","","","has coordinates","161822","2020-10-21","18:00:00",""
"7035896","13.5654","0.0001","9.6701","0.0001","18.1116","0.0002","90","","94.957","0.001","90","","2366.97","0.04","280","0.1","280","0.1","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","","gamma-[BiBr3(bp2mo)2]","","- C20 H16 Bi Br3 N4 O2 -","- C20 H16 Bi Br3 N4 O2 -","- C80 H64 Bi4 Br12 N16 O8 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Forni, Alessandra; Meinardi, Francesco; Botta, Chiara","Aggregation induced phosphorescent N-oxyde-2,2'-bipyridine bismuth complexes and polymorphism-dependent emission.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14589","14593","10.1039/c5dt01801c","","","1.54184","CuKα","","0.0466","0.04","","","0.1044","0.1109","","","","","","1.084","","","","has coordinates","161822","2020-10-21","18:00:00",""
"7035897","15.68","0.02","16.44","0.02","17.69","0.02","91.408","0.012","115.658","0.013","117.999","0.012","3477","7","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","C69 H54 N10 O6, 3(H2 O)","","- C69 H60 N10 O9 -","- C69 H58 N10 O9 -","- C138 H116 N20 O18 -","2","1","","Tyagi, Nidhi; Viji, Mambattakkara; Karunakaran, Suneesh C.; Varughese, Sunil; Ganesan, Shilpa; Priya, Sulochana; Saneesh Babu, P. S.; Nair, Asha S.; Ramaiah, Danaboyina","Enhancement in intramolecular interactions and in vitro biological activity of a tripodal tetradentate system upon complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15591","15601","10.1039/c5dt00450k","","","0.71073","MoKα","","0.2087","0.0886","","","0.2216","0.2532","","","","","","0.707","","","","has coordinates","161340","2020-10-21","18:00:00",""
"7035898","15.244","0.008","15.37","0.009","17.48","0.009","82.582","0.008","80.483","0.019","88.567","0.019","4005","4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","C69 H56 Cu N10 O7, 2(Cl O4), 2(C3 H7 N O), 4(H2 O)","","- C75 H78 Cl2 Cu N12 O21 -","- C75 H76 Cl2 Cu N12 O21 -","- C150 H152 Cl4 Cu2 N24 O42 -","2","1","","Tyagi, Nidhi; Viji, Mambattakkara; Karunakaran, Suneesh C.; Varughese, Sunil; Ganesan, Shilpa; Priya, Sulochana; Saneesh Babu, P. S.; Nair, Asha S.; Ramaiah, Danaboyina","Enhancement in intramolecular interactions and in vitro biological activity of a tripodal tetradentate system upon complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15591","15601","10.1039/c5dt00450k","","","0.71073","MoKα","","0.1486","0.0941","","","0.2206","0.2587","","","","","","1.024","","","","has coordinates","161340","2020-10-21","18:00:00",""
"7035899","13.1709","0.0004","13.9693","0.0004","15.1962","0.0004","104.57","0.002","113.005","0.001","101.24","0.002","2352.01","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Au2 Cl6 N4 O2 P2 -","- C46 H36 Au2 Cl6 N4 O2 P2 -","- C92 H72 Au4 Cl12 N8 O4 P4 -","2","1","","Powers, Andrew R.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Au-iClick mirrors the mechanism of copper catalyzed azide-alkyne cycloaddition (CuAAC).","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14747","14752","10.1039/c5dt02405f","","","0.71073","MoKα","","0.0274","0.0213","","","0.0496","0.0515","","","","","","0.981","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035900","22.3826","0.0016","19.9446","0.0016","30.529","0.002","90","","90","","90","","13628.5","1.7","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C68 H97 Cl3 In2 N4 O3 -","- C68 H97 Cl3 In2 N4 O3 -","- C544 H776 Cl24 In16 N32 O24 -","8","2","","Yu, I.; Ebrahimi, T.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Star-shaped PHB-PLA block copolymers: immortal polymerization with dinuclear indium catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14248","14254","10.1039/c5dt02357b","","","0.71073","MoKα","","0.044","0.0314","","","0.0612","0.0661","","","","","","1.015","","","","has coordinates,has disorder","153236","2020-10-21","18:00:00",""
"7035901","12.169","0.003","15.269","0.004","18.288","0.005","81.554","0.007","80.349","0.006","74.877","0.006","3214.9","1.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H97 Cl3 In2 N4 O5 -","- C62.021 H97.024 Cl3 In2 N4 O5 -","- C124.042 H194.048 Cl6 In4 N8 O10 -","2","1","","Yu, I.; Ebrahimi, T.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Star-shaped PHB-PLA block copolymers: immortal polymerization with dinuclear indium catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14248","14254","10.1039/c5dt02357b","","","0.71069","MoKα","","0.0708","0.046","","","0.0938","0.1065","","","","","","1.049","","","","has coordinates,has disorder","153236","2020-10-21","18:00:00",""
"7035902","32.89","0.017","12.527","0.007","19.435","0.01","90","","103.232","0.009","90","","7795","7","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H115.5 Cl2 In2 N4 O4 -","- C81.002 H115.456 Cl2 In2 N4 O4 -","- C324.008 H461.824 Cl8 In8 N16 O16 -","4","0.5","","Yu, I.; Ebrahimi, T.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.","Star-shaped PHB-PLA block copolymers: immortal polymerization with dinuclear indium catalysts.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14248","14254","10.1039/c5dt02357b","","","0.71073","MoKα","","0.0331","0.025","","","0.0536","0.0577","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035903","12.6958","0.0017","17.033","0.002","17.415","0.002","109.33","0.002","100.572","0.002","90.329","0.002","3484.4","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 F4 Ir P -","- C15 H24 F4 Ir P -","- C120 H192 F32 Ir8 P8 -","8","4","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0938","0.0504","","","0.1012","0.1156","","","","","","0.952","","","","has coordinates","171172","2020-10-21","18:00:00",""
"7035904","8.379","0.005","13.834","0.007","17.073","0.009","90","","100.45","0.008","90","","1946.2","1.8","218.15","","218.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 F6 Ir P -","- C16 H24 F6 Ir P -","- C64 H96 F24 Ir4 P4 -","4","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0371","0.032","","","0.0796","0.0829","","","","","","1.038","","","","has coordinates,has disorder","171172","2020-10-21","18:00:00",""
"7035905","9.3707","0.0009","8.5612","0.0008","20.956","0.002","90","","98.09","0.001","90","","1664.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl F6 Ir O -","- C14 H16 Cl F6 Ir O -","- C56 H64 Cl4 F24 Ir4 O4 -","4","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0347","0.0311","","","0.0815","0.0838","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035906","14.36","0.005","7.631","0.003","27.696","0.009","90","","96.863","0.006","90","","3013.2","1.9","208","2","208","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 Cl F4 Ir O -","- C13 H16 Cl F4 Ir O -","- C104 H128 Cl8 F32 Ir8 O8 -","8","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0351","0.0307","","","0.0747","0.0769","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035907","8.418","0.002","12.121","0.003","14.427","0.004","103.242","0.003","97.509","0.003","95.759","0.003","1407.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 Ir O -","- C13 H15 F4 Ir O -","- C52 H60 F16 Ir4 O4 -","4","2","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0707","0.0452","","","0.102","0.115","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035908","9.5574","0.0018","10.84","0.002","17.604","0.003","90","","90","","90","","1823.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl F6 Ir O -","- C18 H16 Cl F6 Ir O -","- C72 H64 Cl4 F24 Ir4 O4 -","4","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0375","0.0353","","","0.0905","0.0915","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035909","18.596","0.006","10.887","0.003","8.594","0.003","90","","90","","90","","1739.9","1","208.15","","208.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15 F6 Ir O -","- C18 H15 F6 Ir O -","- C72 H60 F24 Ir4 O4 -","4","0.5","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0239","0.0215","","","0.0559","0.0573","","","","","","1.07","","","","has coordinates","171172","2020-10-21","18:00:00",""
"7035910","18.64491","0.00074","27.22668","0.0014","8.89324","0.00038","90","0","107.482","0.00123","90","0","4306","0.3","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","Rh_2_ppeb_4_THF","","- C68 H32 F20 O10 Rh2 -","- C68 H32 F20 O10 Rh2 -","- C136 H64 F40 O20 Rh4 -","2","0.25","","Itoh, Takahiro; Kondo, Mio; Sakamoto, Hirotoshi; Wakabayashi, Kaori; Kanaike, Mari; Itami, Kenichiro; Masaoka, Shigeyuki","Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15334","15342","10.1039/c5dt01620g","","","0.710747","MoKα","","0.0694","0.066","","","0.1724","0.1742","","","","","","1.135","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035911","15.15258","0.0007","15.38444","0.00038","19.50868","0.00042","99.0549","0.00072","96.0045","0.0007","112.859","0.0007","4069.1","0.2","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Rh_2_ppeb_4_PN","","- C85 H66 F20 O13 Rh2 -","- C85 H66 F20 O13 Rh2 -","- C170 H132 F40 O26 Rh4 -","2","1","","Itoh, Takahiro; Kondo, Mio; Sakamoto, Hirotoshi; Wakabayashi, Kaori; Kanaike, Mari; Itami, Kenichiro; Masaoka, Shigeyuki","Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15334","15342","10.1039/c5dt01620g","","","0.710747","MoKα","","0.0682","0.0554","","","0.1742","0.1875","","","","","","1.111","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7035912","10.86247","0.00082","13.88266","0.00097","14.92173","0.00107","103.646","0.00146","93.1519","0.00145","94.0312","0.00156","2175.3","0.3","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","Rh_2_ppeb_4_AD","","- C92 H70 F20 N2 O11 Rh2 -","- C92 H70 F20 N2 O11 Rh2 -","- C92 H70 F20 N2 O11 Rh2 -","1","0.5","","Itoh, Takahiro; Kondo, Mio; Sakamoto, Hirotoshi; Wakabayashi, Kaori; Kanaike, Mari; Itami, Kenichiro; Masaoka, Shigeyuki","Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15334","15342","10.1039/c5dt01620g","","","0.710747","MoKα","","0.0607","0.0511","","","0.1401","0.1511","","","","","","1.089","","","","has coordinates","161653","2020-10-21","18:00:00",""
"7035913","19.9268","0.0008","8.3983","0.0003","24.7922","0.001","90","","100.413","0.004","90","","4080.7","0.3","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","8","","- C42 H48 B Cu F4 N4 Se2 -","- C42 H48 B Cu F4 N4 Se2 -","- C168 H192 B4 Cu4 F16 N16 Se8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","","1.5418","CuKα","","0.043295","0.039059","","","","0.106102","","","","","","1.05207","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035914","20.0772","0.0007","8.2488","0.0003","24.7461","0.001","90","","101.745","0.004","90","","4012.5","0.3","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","7","","- C42 H48 B Cu F4 N4 S2 -","- C42 H48 B Cu F4 N4 S2 -","- C168 H192 B4 Cu4 F16 N16 S8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","","1.5418","CuKα","","0.044165","0.038252","","","","0.108046","","","","","","1.04931","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035915","19.6185","0.0008","16.1577","0.0003","21.2244","0.0009","90","","121.81","0.006","90","","5717.4","0.5","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","6","","- C54 H72 B Cu F4 N4 Se2 -","- C54 H72 B Cu F4 N4 Se2 -","- C216 H288 B4 Cu4 F16 N16 Se8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","","1.5418","CuKα","","0.076284","0.073631","","","","0.235445","","","","","","1.03051","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035916","19.9289","0.0011","15.8882","0.0005","20.3741","0.0016","90","","114.824","0.008","90","","5855.1","0.7","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","5","","- C54 H72 B Cu F4 N4 S2 -","- C54 H72 B Cu F4 N4 S2 -","- C216 H288 B4 Cu4 F16 N16 S8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","x-ray","1.54184","CuKα","","0.112694","0.086486","","","","0.295348","","","","","","1.06721","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035917","8.3174","0.0003","17.8053","0.0005","28.9437","0.0007","90","","90","","90","","4286.4","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","4","","- C42 H48 Cl Cu N4 O4 Se2 -","- C42 H48 Cl Cu N4 O4 Se2 -","- C168 H192 Cl4 Cu4 N16 O16 Se8 -","4","1","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","x-ray","1.54184","CuKα","","0.055054","0.048018","","","","0.140271","","","","","","1.03492","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035918","21.1509","0.0009","8.2603","0.0003","24.586","0.001","90","","101.678","0.004","90","","4206.6","0.3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","3","","- C42 H48 Cl Cu N4 O4 S2 -","- C42 H48 Cl Cu N4 O4 S2 -","- C168 H192 Cl4 Cu4 N16 O16 S8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","x-ray","1.54184","CuKα","","0.064249","0.048088","","","","0.14566","","","","","","1.0297","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035919","19.5343","0.0015","16.1976","0.0006","21.4008","0.0015","90","","121.691","0.01","90","","5761.7","0.9","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2","","- C54 H72 Cl Cu N4 O4 Se2 -","- C54 H72 Cl Cu N4 O4 Se2 -","- C216 H288 Cl4 Cu4 N16 O16 Se8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","","1.5418","CuKα","","0.086582","0.076557","","","","0.233171","","","","","","1.03946","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035920","19.8863","0.0014","15.9337","0.0004","20.405","0.003","90","","114.235","0.008","90","","5895.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1","","- C54 H69 Cl Cu N4 O4 S2 -","- C54 H69 Cl Cu N4 O4 S2 -","- C216 H276 Cl4 Cu4 N16 O16 S8 -","4","0.5","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","x-ray","1.54184","CuKα","","0.1097","0.0868","","","0.251","0.271","","","","","","1.65","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035921","12.62","0.003","8.246","0.002","19.435","0.005","90","","100.522","0.004","90","","1988.5","0.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Cl5 N4 O Rh -","- C39 H48 Cl5 N4 O Rh -","- C78 H96 Cl10 N8 O2 Rh2 -","2","0.5","","Yamazaki, Shin-Ichi; Yao, Masaru; Asahi, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Ioroi, Tsutomu","Characterization of a Rh(iii) porphyrin-CO complex: its structure and reactivity with an electron acceptor.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13823","13827","10.1039/c5dt01453k","","","0.71075","MoKα","","0.0976","0.0798","","","0.1531","0.1616","","","","","","1.174","","","","has coordinates","153176","2020-10-21","18:00:00",""
"7035922","9.1571","0.0006","41.566","0.003","9.5665","0.0006","90","","102.692","0.006","90","","3552.3","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 N P -","- C47 H42 N P -","- C188 H168 N4 P4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.0712","0.0482","","","0.0843","0.093","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035923","8.5767","0.0006","18.5068","0.0014","11.4751","0.001","90","","92.692","0.007","90","","1819.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H52 N3 P -","- C43 H52 N3 P -","- C86 H104 N6 P2 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.0528","0.0414","","","0.0876","0.0949","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035924","18.506","0.004","12.825","0.003","18.632","0.004","90","","97.72","0.03","90","","4382","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 K N3 P -","- C50 H59 K N3 P -","- C200 H236 K4 N12 P4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7108","Synchrotron","","0.105","0.0776","","","0.2091","0.2331","","","","","","1.02","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7035925","11.2534","0.0006","12.2272","0.0005","16.8486","0.0009","70.23","0.004","73.735","0.004","76.194","0.004","2067.62","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 N3 P -","- C47 H60 N3 P -","- C94 H120 N6 P2 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.062","0.0424","","","0.092","0.103","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035926","9.931","0.002","11.495","0.002","16.176","0.003","92.84","0.03","107.41","0.03","90.52","0.03","1759.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H45 N2 P -","- C42.5 H45 N2 P -","- C85 H90 N4 P2 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7109","Synchrotron","","0.0684","0.0625","","","0.1513","0.1558","","","","","","1.041","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035927","10.0456","0.0015","13.252","0.002","29.583","0.007","90","","90","","90","","3938.2","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H41 Cl3 N P Si -","- C47 H41 Cl3 N P Si -","- C188 H164 Cl12 N4 P4 Si4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.1549","0.1039","","","0.241","0.2826","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035928","9.9729","0.0004","13.3211","0.0006","29.4129","0.0012","90","","90","","90","","3907.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H42 Cl2 N P Si -","- C47 H42 Cl2 N P Si -","- C188 H168 Cl8 N4 P4 Si4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.064","0.052","","","0.1201","0.1279","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035929","12.6871","0.0018","13.72","0.003","16.385","0.002","72.602","0.015","83.732","0.011","80.682","0.015","2680.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H55 Cl5 N P Si -","- C61 H55 Cl5 N P Si -","- C122 H110 Cl10 N2 P2 Si2 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7108","Synchrotron","","0.1918","0.0798","","","0.1622","0.2279","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035930","21.116","0.004","9.725","0.0019","18.206","0.004","90","","97.81","0.03","90","","3704","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H43 N P Si0.5 -","- C47 H42.5 N P Si0.5 -","- C188 H170 N4 P4 Si2 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71069","Synchrotron","","0.0702","0.0594","","","0.1395","0.1449","","","","","","1.15","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7035931","10.124","0.0008","20.1891","0.0015","21.6338","0.0019","90","","92.815","0.007","90","","4416.5","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 Cl5 N P Si2 -","- C47 H41 Cl5 N P Si2 -","- C188 H164 Cl20 N4 P4 Si8 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.0937","0.0577","","","0.1276","0.1466","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035932","13.977","0.003","9.827","0.002","29.607","0.006","90","","102.56","0.03","90","","3969.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N P Si2 -","- C47 H46 N P Si2 -","- C188 H184 N4 P4 Si8 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7109","Synchrotron","","0.0524","0.0488","","","0.128","0.131","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035933","10.47","0.002","16.168","0.003","18.415","0.004","108.85","0.03","90.82","0.03","99.88","0.03","2898.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H49 Cl9 N P Si5 -","- C54 H49 Cl9 N P Si5 -","- C108 H98 Cl18 N2 P2 Si10 -","2","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7109","Synchrotron","","0.0705","0.0478","","","0.1205","0.1311","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035934","17.441","0.004","23.78","0.005","23.866","0.005","90","","93.2","0.03","90","","9883","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H90 Cl8 N2 P2 Si5 -","- C101 H90 Cl8 N2 P2 Si5 -","- C404 H360 Cl32 N8 P8 Si20 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.7109","Synchrotron","","0.168","0.1007","","","0.2647","0.3063","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035935","11.169","0.002","16.752","0.003","14.317","0.003","90","","106.57","0.03","90","","2567.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dippy","","","- C34 H24 B2 N2 O2 -","- C34 H24 B2 N2 O2 -","- C136 H96 B8 N8 O8 -","4","1","","Zhang, Zhenyu; Zhang, Zuolun; Ye, Kaiqi; Zhang, Jingying; Zhang, Hongyu; Wang, Yue","Diboron complexes with bis-spiro structures as high-performance blue emitters for OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14436","14443","10.1039/c5dt02093j","","","0.71073","MoKα","","0.1189","0.0583","","","0.1157","0.1383","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035936","23.44","0.005","9.4816","0.0019","18.355","0.004","90","","110.48","0.03","90","","3821.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dibm","","","- C50 H34 B2 N4 O2 -","- C50 H34 B2 N4 O2 -","- C200 H136 B8 N16 O8 -","4","0.5","","Zhang, Zhenyu; Zhang, Zuolun; Ye, Kaiqi; Zhang, Jingying; Zhang, Hongyu; Wang, Yue","Diboron complexes with bis-spiro structures as high-performance blue emitters for OLEDs.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14436","14443","10.1039/c5dt02093j","","","0.71073","MoKα","","0.0873","0.0532","","","0.1445","0.1722","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035937","9.4981","0.0005","10.2782","0.0005","13.8108","0.0008","92.571","0.004","109.723","0.005","107.893","0.005","1191.05","0.13","180","2","180","2","","","","","","","","3","P -1","-P 1","2","phen(N-Mes)2","","","- C30 H28 N4 -","- C30 H28 N4 -","- C60 H56 N8 -","2","1","","Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven","Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15404","15407","10.1039/c5dt02383a","","x-ray","1.54178","CuKα","","0.0471","0.0385","","","0.1009","0.1073","","","","","","1.035","","","","has coordinates","161264","2020-10-21","18:00:00",""
"7035938","15.6277","0.0002","7.3164","0.0001","20.3483","0.0003","90","","102.666","0.001","90","","2269.98","0.05","180","0.14","180","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phen(N-o-Xyl)2","","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven","Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15404","15407","10.1039/c5dt02383a","","x-ray","0.71073","MoKα","","0.0431","0.0371","","","0.0998","0.1037","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035939","8.9794","0.0004","16.0111","0.0006","17.5265","0.0008","113.881","0.004","92.391","0.004","101.791","0.003","2233.54","0.19","150.1","0.4","150.1","0.4","","","","","","","","6","P -1","-P 1","2","{(ppy)2 Ir [phen(N-o-Xyl)2]} (PF6) . MeCN","","","- C52 H43 F6 Ir N7 P -","- C52 H43 F6 Ir N7 P -","- C104 H86 F12 Ir2 N14 P2 -","2","1","","Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven","Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15404","15407","10.1039/c5dt02383a","","x-ray","1.54178","CuKα","","0.0624","0.0509","","","0.1344","0.1412","","","","","","1.155","","","","has coordinates","161264","2020-10-21","18:00:00",""
"7035940","11.6409","0.0012","6.6488","0.0006","16.1299","0.0015","90","","93.823","0.005","90","","1245.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 B9 Co -","- C7 H16 B9 Co -","- C28 H64 B36 Co4 -","4","1","","Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Reduction-induced facile isomerisation of metallacarboranes: synthesis and crystallographic characterisation of 4-Cp-4,1,2-closo-CoC2B9H11.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15417","15419","10.1039/c5dt02506k","","","0.71073","MoKα","","0.0488","0.0377","","","0.0803","0.0844","","","","","","1.102","","","","has coordinates","161274","2020-10-21","18:00:00",""
"7035941","10.533","0.003","12.162","0.003","14.504","0.004","86.57","0.006","85.21","0.006","69.345","0.006","1731.6","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 Ir2 N4 -","- C40 H50 Ir2 N4 -","- C80 H100 Ir4 N8 -","2","1","","He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre","Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17030","17044","10.1039/c5dt02403j","","","0.71073","MoKα","","0.105","0.0855","","","0.2408","0.2547","","","","","","1.137","","","","has coordinates","161190","2020-10-21","18:00:00",""
"7035942","12.3621","0.0004","18.959","0.0006","17.3685","0.0005","90","","119.356","0.002","90","","3548","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Ir2 N4 -","- C40 H50 Ir2 N4 -","- C160 H200 Ir8 N16 -","4","1","","He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre","Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17030","17044","10.1039/c5dt02403j","","","0.71073","MoKα","","0.0561","0.0332","","","0.058","0.0674","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035943","12.4452","0.0007","18.7469","0.001","17.5877","0.0007","90","","119.594","0.003","90","","3568.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N4 Rh2 -","- C40 H50 N4 Rh2 -","- C160 H200 N16 Rh8 -","4","1","","He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre","Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17030","17044","10.1039/c5dt02403j","","","0.71073","MoKα","","0.0671","0.0347","","","0.0695","0.0815","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035944","8.5688","0.0017","14.354","0.003","16.312","0.003","93.13","0.03","91.35","0.03","95.87","0.03","1992","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N4 Rh2 -","- C38 H54 N4 Rh2 -","- C76 H108 N8 Rh4 -","2","1","","He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre","Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17030","17044","10.1039/c5dt02403j","","","0.71073","MoKα","","0.0413","0.0363","","","0.1021","0.1062","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035945","25.2035","0.0005","14.6551","0.0002","17.4656","0.0004","90","","90","","90","","6451.1","0.2","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H68 Cl9 N11 O6 P3 Tb -","- C48 H68 Cl9 N11 O6 P3 Tb -","- C192 H272 Cl36 N44 O24 P12 Tb4 -","4","1","","Litsis, Olena O.; Ovchynnikov, Vladimir A.; Scherbatskii, Vasyl P.; Nedilko, Sergiy G.; Sliva, Tatiana Yu; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Davydov, Valentine I.; Gawryszewska, Paula; Amirkhanov, Vladimir M.","Lanthanide mixed-ligand complexes of the [Ln(CAPh)3(Phen)] and [LaxEu1-x(CAPh)3(Phen)] (CAPh = carbacylamidophosphate) type. A comparative study of their spectral properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15508","15522","10.1039/c5dt02557e","","","0.71073","MoKα","","0.059","0.0404","","","0.0677","0.073","","","","","","1.024","","","","has coordinates,has disorder","161300","2020-10-21","18:00:00",""
"7035946","10.9794","0.0004","13.0092","0.0004","22.3615","0.0008","95.215","0.003","97.454","0.003","99.695","0.003","3100.91","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 Cl9 Eu N11 O6 P3 -","- C48 H68 Cl9 Eu N11 O6 P3 -","- C96 H136 Cl18 Eu2 N22 O12 P6 -","2","1","","Litsis, Olena O.; Ovchynnikov, Vladimir A.; Scherbatskii, Vasyl P.; Nedilko, Sergiy G.; Sliva, Tatiana Yu; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Davydov, Valentine I.; Gawryszewska, Paula; Amirkhanov, Vladimir M.","Lanthanide mixed-ligand complexes of the [Ln(CAPh)3(Phen)] and [LaxEu1-x(CAPh)3(Phen)] (CAPh = carbacylamidophosphate) type. A comparative study of their spectral properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15508","15522","10.1039/c5dt02557e","","","0.71073","MoKα","","0.0646","0.0443","","","0.0794","0.0879","","","","","","1.007","","","","has coordinates,has disorder","161300","2020-10-21","18:00:00",""
"7035947","15.6215","0.0008","18.3288","0.0009","22.9355","0.0011","97.887","0.004","105.308","0.004","100.223","0.004","6115.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 Cl9 N11 Nd O6 P3 -","- C48 H68 Cl9 N11 Nd O6 P3 -","- C192 H272 Cl36 N44 Nd4 O24 P12 -","4","2","","Litsis, Olena O.; Ovchynnikov, Vladimir A.; Scherbatskii, Vasyl P.; Nedilko, Sergiy G.; Sliva, Tatiana Yu; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Davydov, Valentine I.; Gawryszewska, Paula; Amirkhanov, Vladimir M.","Lanthanide mixed-ligand complexes of the [Ln(CAPh)3(Phen)] and [LaxEu1-x(CAPh)3(Phen)] (CAPh = carbacylamidophosphate) type. A comparative study of their spectral properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15508","15522","10.1039/c5dt02557e","","","0.71073","MoKα","","0.0817","0.0491","","","0.0918","0.1053","","","","","","1.006","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7035948","14.9031","0.0005","22.0459","0.0006","15.6218","0.0007","90","","98.964","0.003","90","","5069.9","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 F6 Ni2 O P4 -","- C47 H76 F6 Ni2 O P4 -","- C188 H304 F24 Ni8 O4 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J","Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15653","15663","10.1039/c5dt02366a","","","0.71073","MoKα","","0.0494","0.0345","","","0.0707","0.0794","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035949","14.4964","0.0008","15.4616","0.0009","21.4898","0.0011","90","","90","","90","","4816.7","0.5","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 F2 Ni2 O P4 -","- C45 H76 F2 Ni2 O P4 -","- C180 H304 F8 Ni8 O4 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J","Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15653","15663","10.1039/c5dt02366a","","","0.71073","MoKα","","0.1201","0.0659","","","0.0907","0.1045","","","","","","0.991","","","","has coordinates","161305","2020-10-21","18:00:00",""
"7035950","14.9903","0.0005","17.0446","0.0008","26.6128","0.0015","90","","90","","90","","6799.7","0.5","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F6 Ni O P2 -","- C33 H44 F6 Ni O P2 -","- C264 H352 F48 Ni8 O8 P16 -","8","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J","Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15653","15663","10.1039/c5dt02366a","","","0.71073","MoKα","","0.0993","0.0595","","","0.1376","0.1653","","","","","","1.032","","","","has coordinates,has disorder","161305","2020-10-21","18:00:00",""
"7035951","9.964","0.002","14.138","0.004","14.813","0.004","112.246","0.005","103.109","0.003","95.62","0.004","1841.6","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.25 H74.25 B2 Cl0.75 F4 N8 Zn -","- C79.25 H74.25 B2 Cl0.75 F4 N8 Zn -","- C79.25 H74.25 B2 Cl0.75 F4 N8 Zn -","1","0.5","","Hu, Qin-Qin; Zhu, Yi-Zhou; Zhang, Shao-Chun; Tong, Yu-Zhang; Zheng, Jian-Yu","meso-2'-Linked porphyrin-BODIPY hybrids: synthesis and efficient excitation energy transfer.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15523","15530","10.1039/c5dt01184a","","","0.71073","MoKα","","0.0764","0.0646","","","0.199","0.2072","","","","","","1.109","","","","has coordinates,has disorder","161364","2020-10-21","18:00:00",""
"7035952","16.7612","0.0016","16.7612","0.0016","6.898","0.0009","90","","90","","120","","1678.3","0.3","100","10","100","10","","","","","","","","5","P 63/m","-P 6c","176","","","","- C24 H13 N3 O10 Zn2 -","- C24 H12.9999 N3 O9.9999 Zn2 -","- C48 H25.9998 N6 O19.9998 Zn4 -","2","0.166667","","Zhang, Xiuling; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhu, Baoyong; Li, Jian-Rong","A hydrothermally stable Zn(ii)-based metal-organic framework: structural modulation and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15697","15702","10.1039/c5dt01770j","","x-ray","1.54178","CuKα","","0.0745","0.0711","","","0.1998","0.2018","","","","","","1.124","","","","has coordinates","161269","2020-10-21","18:00:00",""
"7035953","10.7106","0.0011","12.6687","0.0014","19.429","0.002","81.79","0.003","83.552","0.003","67.758","0.003","2410.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 Fe2 N8 O18 -","- C40 H52 Cl2 Fe2 N8 O18 -","- C80 H104 Cl4 Fe4 N16 O36 -","2","1","","Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15531","15543","10.1039/c5dt01569c","","","0.71073","MoKα","","0.0693","0.0693","","","0.2032","0.2032","","","","","","1.1867","","","","has coordinates","161335","2020-10-21","18:00:00",""
"7035954","12.28","0.004","11.817","0.004","15.788","0.005","90","","108.274","0.008","90","","2175.5","1.2","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H36 B2 F8 Fe2 N8 O10 -","- C36 H32 B2 F8 Fe2 N8 O10 -","- C72 H64 B4 F16 Fe4 N16 O20 -","2","0.5","","Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15531","15543","10.1039/c5dt01569c","","","1.54178","CuKα","","0.0935","0.0794","","","0.2064","0.2136","","","","","","1.162","","","","has coordinates","161335","2020-10-21","18:00:00",""
"7035955","12.1418","0.0013","12.4085","0.0013","15.839","0.0018","74.689","0.004","89.892","0.004","85.089","0.004","2292.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 Fe2 N10 O18.75 -","- C39 H46 Fe2 N10 O18.75 -","- C78 H92 Fe4 N20 O37.5 -","2","1","","Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15531","15543","10.1039/c5dt01569c","","","0.71073","MoKα","","0.072","0.0664","","","0.1818","0.1847","","","","","","1.062","","","","has coordinates,has disorder","161335","2020-10-21","18:00:00",""
"7035956","12.8832","0.0006","13.504","0.0006","15.265","0.0007","106.99","0.0017","92.561","0.0017","113.645","0.002","2286.53","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cl2 Fe2 N8 O14 -","- C38 H48 Cl2 Fe2 N8 O14 -","- C76 H96 Cl4 Fe4 N16 O28 -","2","1","","Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15531","15543","10.1039/c5dt01569c","","","0.71073","MoKα","","0.0522","0.0419","","","0.117","0.1251","","","","","","1.031","","","","has coordinates,has disorder","161335","2020-10-21","18:00:00",""
"7035957","8.858","0.005","10.49","0.005","15.4","0.005","72.024","0.005","85.158","0.005","76.207","0.005","1321.8","1.1","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","cis-Dichlorido-[1,1?-Bis(4-(phospholano)butyl)ferrocene-κ2P,P?]-platinum(II)","","- C26 H40 Cl2 Fe P2 Pt -","- C26 H40 Cl2 Fe P2 Pt -","- C52 H80 Cl4 Fe2 P4 Pt2 -","2","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","","0.71073","MoKα","","0.0319","0.0229","","","0.0452","0.0478","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035958","19.869","0.005","7.774","0.005","20.216","0.005","90","0.005","112.348","0.005","90","0.005","2888","2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Dichlorido-[1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]-platinum(II)","","- C28 H44 Cl2 Fe P2 Pt -","- C28 H44 Cl2 Fe P2 Pt -","- C112 H176 Cl8 Fe4 P8 Pt4 -","4","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0795","0.052","","","0.0931","0.1027","","","","","","1.045","","","","has coordinates","171232","2020-10-21","18:00:00",""
"7035959","12.296","0.005","13.526","0.005","16.974","0.005","90","0.005","90","0.005","90","0.005","2823","1.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]gold(I) chloride","","- C28 H44 Au Cl Fe P2 -","- C28 H44 Au Cl Fe P2 -","- C112 H176 Au4 Cl4 Fe4 P8 -","4","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0301","0.0268","","","0.0603","0.0615","","","","","","1.05","","","","has coordinates","171232","2020-10-21","18:00:00",""
"7035960","5.6219","0.0003","8.7107","0.0004","20.5647","0.0015","83.135","0.005","84.84","0.005","74.38","0.004","961.16","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","1,1'-Bis-(5-bromobutanoyl)-ferrocene","","- C20 H24 Br2 Fe O2 -","- C20 H24 Br2 Fe O2 -","- C40 H48 Br4 Fe2 O4 -","2","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0428","0.0337","","","0.0763","0.0814","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035961","10.773","0.005","12.183","0.005","22.166","0.005","90","0.005","97.477","0.005","90","0.005","2884.5","1.9","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Carbonylchlorido-[1,1?-bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]-rhodium(I)","","- C29 H44 Cl Fe O P2 Rh -","- C29 H44 Cl Fe O P2 Rh -","- C116 H176 Cl4 Fe4 O4 P8 Rh4 -","4","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0427","0.0315","","","0.0668","0.0714","","","","","","1.041","","","","has coordinates","171232","2020-10-21","18:00:00",""
"7035962","7.958","0.005","10.195","0.005","32.986","0.005","90","0.005","92.871","0.005","90","0.005","2673","2","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1?-Bis(4-(phospholanoselenide)butyl)ferrocene","","- C26 H40 Fe P2 Se2 -","- C26 H40 Fe P2 Se2 -","- C104 H160 Fe4 P8 Se8 -","4","0.5","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0766","0.067","","","0.1126","0.1156","","","","","","1.294","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035963","10.36558","0.00019","27.558","0.0005","10.61742","0.00019","90","","112.24","0.0007","90","","2807.29","0.09","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe2 I3 O2 -","- C28 H26 Fe2 I3 O2 -","- C112 H104 Fe8 I12 O8 -","4","1","","Tahara, Keishiro; Akehi, Shogo; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-Ichi; Tokunaga, Ken","Tuning of intramolecular charge transfer properties and charge distributions in ferrocene-appended catechol derivatives by chemical substitution.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14635","14645","10.1039/c5dt01998b","","","0.71075","MoKα","","","0.0173","","","","0.0389","","","","","","1.094","","","","has coordinates","161773","2020-10-21","18:00:00",""
"7035964","12.4059","0.0003","14.7753","0.0003","18.8792","0.0004","90","","102.644","0.0007","90","","3376.65","0.13","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Fe2 I6 O2 -","- C28 H26 Fe2 I6 O2 -","- C112 H104 Fe8 I24 O8 -","4","0.5","","Tahara, Keishiro; Akehi, Shogo; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-Ichi; Tokunaga, Ken","Tuning of intramolecular charge transfer properties and charge distributions in ferrocene-appended catechol derivatives by chemical substitution.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14635","14645","10.1039/c5dt01998b","","","0.71075","MoKα","","","0.0349","","","","0.1165","","","","","","1.16","","","","has coordinates","161773","2020-10-21","18:00:00",""
"7035965","9.87557","0.00018","10.3246","0.00019","10.3781","0.0002","84.8912","0.0007","79.7892","0.0007","88.302","0.0007","1037.17","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Fe I3 O2 -","- C18 H18 Fe I3 O2 -","- C36 H36 Fe2 I6 O4 -","2","1","","Tahara, Keishiro; Akehi, Shogo; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-Ichi; Tokunaga, Ken","Tuning of intramolecular charge transfer properties and charge distributions in ferrocene-appended catechol derivatives by chemical substitution.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14635","14645","10.1039/c5dt01998b","","","0.71075","MoKα","","","0.0436","","","","0.1116","","","","","","1.128","","","","has coordinates","161773","2020-10-21","18:00:00",""
"7035966","10.5209","0.0002","11.603","0.0003","14.037","0.0004","106.03","0.001","90.45","0.001","109.124","0.001","1546.89","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","trans-[PtCl2{PPh2(CF=CF(CF3))}2]","","- C30 H20 Cl2 F10 P2 Pt -","- C30 H20 Cl2 F10 P2 Pt -","- C60 H40 Cl4 F20 P4 Pt2 -","2","1","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.0766","0.0535","","","0.1187","0.1372","","","","","","1.048","","","","has coordinates","171173","2020-10-21","18:00:00",""
"7035967","6.969","0.0007","7.729","0.0007","12.473","0.0016","77.095","0.004","78.88","0.005","73.227","0.009","621.04","0.12","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","iPr2P(Se)(CF=CF(CF3))","","- C9 H14 F5 P Se -","- C9 H14 F5 P Se -","- C18 H28 F10 P2 Se2 -","2","1","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.0681","0.0561","","","0.1414","0.1532","","","","","","1.107","","","","has coordinates","171173","2020-10-21","18:00:00",""
"7035968","11.537","0.0015","9.142","0.0013","14.762","0.002","90","","100.526","0.005","90","","1530.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","trans-[PtCl2{PPh(CF=CF(CF3))2}2]","","- C24 H10 Cl2 F20 P2 Pt -","- C24 H10 Cl2 F20 P2 Pt -","- C48 H20 Cl4 F40 P4 Pt2 -","2","0.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.1018","0.0701","","","0.1394","0.1584","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035969","10.222","0.001","13.9344","0.0007","18.7749","0.0017","90","","100.202","0.009","90","","2632","0.4","150.03","0.1","150.03","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Mo(CO)4{(CF3CF=CF)2PCH2CH2P(CF=CFCF3)2}]","","- C18 H4 F20 Mo O4 P2 -","- C18 H4 F20 Mo O4 P2 -","- C72 H16 F80 Mo4 O16 P8 -","4","0.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.0807","0.0544","","","0.0871","0.0963","","","","","","1.062","","","","has coordinates","171173","2020-10-21","18:00:00",""
"7035970","10.9856","0.0004","15.4755","0.0005","16.1213","0.0005","62.762","0.003","81.225","0.003","75.555","0.003","2357.45","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Cl2 F10 P2 Pd -","- C30 H20 Cl2 F10 P2 Pd -","- C90 H60 Cl6 F30 P6 Pd3 -","3","1.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","","0.71073","MoKα","","0.0869","0.0394","","","0.0642","0.0733","","","","","","0.883","","","","has coordinates","171173","2020-10-21","18:00:00",""
"7035971","22.171","0.006","5.9138","0.0011","15.967","0.003","90","","106.437","0.019","90","","2008","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(CF3CF=CF)2PCH2CH2P(CF=CFCF3)2","","- C14 H4 F20 P2 -","- C14 H4 F20 P2 -","- C56 H16 F80 P8 -","4","0.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.2246","0.1082","","","0.2568","0.3558","","","","","","0.977","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035972","24.566","0.006","5.0981","0.0008","16.835","0.004","90","","103.7","0.02","90","","2048.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(CF3CF=CF)2P(O)CH2CH2P(O)(CF=CFCF3)2","","- C14 H4 F20 O2 P2 -","- C14 H4 F20 O2 P2 -","- C56 H16 F80 O8 P8 -","4","0.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","x-ray","0.71073","MoKα","","0.2709","0.0932","","","0.1343","0.2112","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035973","8.147","0.004","8.856","0.004","9.608","0.004","77.301","0.009","77.16","0.007","75.285","0.008","643.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-[PdCl2{iPr2P(CF=CFCF3)}2]","","- C18 H28 Cl2 F10 P2 Pd -","- C18 H28 Cl2 F10 P2 Pd -","- C18 H28 Cl2 F10 P2 Pd -","1","0.5","","Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.","Perfluoropropenyl-containing phosphines from HFC replacements.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19717","19731","10.1039/c5dt02043c","","","0.71073","MoKα","","0.102","0.0656","","","0.1294","0.1443","","","","","","0.878","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035974","8.774","0.004","11.3185","0.0005","11.3495","0.0005","90","","90","","90","","1127.1","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N2 Se -","- C9 H16 N2 Se -","- C36 H64 N8 Se4 -","4","1","","van Weerdenburg, Bram J. A.; Eshuis, Nan; Tessari, Marco; Rutjes, Floris P. J. T.; Feiters, Martin C.","Application of the π-accepting ability parameter of N-heterocyclic carbene ligands in iridium complexes for signal amplification by reversible exchange (SABRE).","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15387","15390","10.1039/c5dt02340h","","","0.71073","MoKα","","0.0409","0.0275","","","0.0505","0.0542","","","","","","1.055","","","","has coordinates","161259","2020-10-21","18:00:00",""
"7035976","17.1654","0.0006","20.7645","0.0006","25.2494","0.0009","90","","90","","90","","8999.7","0.5","298","2","298.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Hf","","- C86 H88 Hf N4 O6 -","- C86 H88 Hf N4 O6 -","- C344 H352 Hf4 N16 O24 -","4","0.5","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0291","0.0239","","","0.0577","0.0602","","","","","","1.098","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035977","16.9781","0.0012","20.6006","0.001","24.9765","0.0017","90","","90","","90","","8735.8","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Zr","","- C86 H88 N4 O6 Zr -","- C86 H88 N4 O6 Zr -","- C344 H352 N16 O24 Zr4 -","4","0.5","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0642","0.0494","","","0.1118","0.1182","","","","","","1.028","","","","has coordinates","161612","2020-10-21","18:00:00",""
"7035978","19.172","0.003","22.272","0.003","30.035","0.004","90","","90","","90","","12825","3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ti","","- C150 H156 N6 O12 Ti3 -","- C150 H156 N6 O12 Ti3 -","- C600 H624 N24 O48 Ti12 -","4","1","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0813","0.0544","","","0.1332","0.1619","","","","","","1.039","","","","has coordinates","161612","2020-10-21","18:00:00",""
"7035979","6.0349","0.0013","8.2409","0.0019","8.7848","0.0019","110.302","0.004","100.984","0.004","93.003","0.003","398.9","0.15","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd N6 S2 -","- C14 H10 Cd N6 S2 -","- C14 H10 Cd N6 S2 -","1","0.5","","Halder, Shibashis; Layek, Animesh; Ghosh, Koushik; Rizzoli, Corrado; Ray, Partha Pratim; Roy, Partha","A Cd(ii) based metal organic framework: a photosensitive current conductor.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16149","16155","10.1039/c5dt02100f","","","0.71073","MoKα","","0.0356","0.0321","","","0.0744","0.0764","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7035980","28.203","0.003","15.868","0.002","25.367","0.003","90","","115.652","0.002","90","","10233","2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C75 H54 Cl12 Cu3 N32 O12 -","- C75 H54 Cl12 Cu3 N32 O12 -","- C300 H216 Cl48 Cu12 N128 O48 -","4","1","","Maxwell, Lindley; Gómez-Coca, Silvia; Weyhermüller, Thomas; Panyella, David; Ruiz, Eliseo","A trinuclear Cu(II) complex with functionalized s-heptazine N-ligands: molecular chemistry from a g-C3N4 fragment.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15761","15763","10.1039/c5dt02485d","","","0.71073","MoKα","","0.1105","0.0743","","","0.1902","0.2145","","","","","","1.062","","","","has coordinates","161385","2020-10-21","18:00:00",""
"7035981","18.4708","0.0005","20.6154","0.0005","16.8454","0.0004","90","","90","","90","","6414.4","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H32 Cl N P2 Pt -","- C37 H32 Cl N P2 Pt -","- C296 H256 Cl8 N8 P16 Pt8 -","8","1","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","0.7107","MoKα","","0.0611","0.0416","","","0.11","0.1248","","","","","","1.033","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7035982","19.4057","0.0004","20.2771","0.0003","16.6972","0.0002","90","","90","","90","","6570.2","0.18","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H34 Cl N P2 Pt -","- C38 H34 Cl N P2 Pt -","- C304 H272 Cl8 N8 P16 Pt8 -","8","1","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","1.5418","CuKα","","0.0359","0.0322","","","0.089","0.0913","","","","","","1.06","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7035983","17.2534","0.0005","20.9469","0.0006","14.8092","0.0004","90","","119.41","0.002","90","","4662.4","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H20 Cl2 F20 N2 P2 Pt2 -","- C48 H20 Cl2 F20 N2 P2 Pt2 -","- C192 H80 Cl8 F80 N8 P8 Pt8 -","4","0.5","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","1.5418","CuKα","","0.0201","0.0188","","","0.0561","0.0573","","","","","","1.029","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7035984","11.6207","0.0008","18.9657","0.0012","20.2375","0.0015","90","","96.179","0.007","90","","4434.3","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl4 N2 P2 Pt2 -","- C48 H40 Cl4 N2 P2 Pt2 -","- C192 H160 Cl16 N8 P8 Pt8 -","4","1","","Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15829","15842","10.1039/c5dt02450a","","","1.5418","CuKα","","0.0395","0.0371","","","0.1034","0.1059","","","","","","1.03","","","","has coordinates","161408","2020-10-21","18:00:00",""
"7035985","20.0572","0.0015","15.3589","0.0011","9.5549","0.0007","90","","90","","90","","2943.4","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N4 -","- C20 H12 N4 -","- C160 H96 N32 -","8","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","An imidazolyl-pyreno-imidazole conjugate as a cyanide sensor and a set-reset memorized sequential logic device.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15994","16012","10.1039/c5dt01317h","","","0.71073","MoKα","","0.1293","0.065","","","0.1545","0.1907","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035995","16.997","0.005","16.997","0.005","21.834","0.005","90","","90","","120","","5463","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 Eu N21 O3 -","- C30 H30 Eu N21 O3 -","- C180 H180 Eu6 N126 O18 -","6","0.333333","","Senthil Kumar, Kuppusamy; Schäfer, Bernhard; Lebedkin, Sergei; Karmazin, Lydia; Kappes, Manfred M.; Ruben, Mario","Highly luminescent charge-neutral europium(iii) and terbium(iii) complexes with tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15611","15619","10.1039/c5dt02186c","","","0.71073","MoKα","","0.0364","0.0276","","","0.0604","0.0622","","","","","","1.049","","","","has coordinates","161289","2020-10-21","18:00:00",""
"7035996","16.98","0.005","16.98","0.005","21.806","0.005","90","","90","","120","","5445","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H30 N21 O3 Tb -","- C30 H30 N21 O3 Tb -","- C180 H180 N126 O18 Tb6 -","6","0.333333","","Senthil Kumar, Kuppusamy; Schäfer, Bernhard; Lebedkin, Sergei; Karmazin, Lydia; Kappes, Manfred M.; Ruben, Mario","Highly luminescent charge-neutral europium(iii) and terbium(iii) complexes with tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15611","15619","10.1039/c5dt02186c","","","0.71073","MoKα","","0.0274","0.0228","","","0.051","0.0519","","","","","","1.078","","","","has coordinates","161289","2020-10-21","18:00:00",""
"7035997","26.779","0.006","26.779","0.006","21.946","0.005","90","","90","","90","","15738","6","173","2","173","2","","","","","","","","7","I -4","I -4","82","","","","- C216 H272 Mo4 N16 Ni P4 V4 -","- C216 H240 Mo4 N16 Ni P4 V4 -","- C432 H480 Mo8 N32 Ni2 P8 V8 -","2","0.25","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","x-ray","0.71073","MoKα","","0.2776","0.185","","","0.4578","0.5056","","","","","","1.225","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7035998","10.5565","0.0014","10.6963","0.0014","22.44","0.003","90","","95.443","0.001","90","","2522.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Mo N4 P -","- C27 H33 Mo N4 P -","- C108 H132 Mo4 N16 P4 -","4","1","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.0453","0.0339","","","0.0824","0.0891","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035999","11.2509","0.0011","7.2175","0.0007","24.609","0.002","90","","90.894","0.001","90","","1998.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Mo N4 P -","- C21 H21 Mo N4 P -","- C84 H84 Mo4 N16 P4 -","4","1","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.0777","0.0425","","","0.0813","0.1051","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036000","25.693","0.007","14.668","0.004","17.924","0.005","90","","109.448","0.003","90","","6370","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F18 Mo N4 P -","- C27 H15 F18 Mo N4 P -","- C216 H120 F144 Mo8 N32 P8 -","8","1","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.2157","0.2028","","","0.3869","0.3927","","","","","","1.378","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036001","13.272","0.002","18.543","0.003","17.109","0.003","90","","109.595","0.002","90","","3966.7","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H66 F36 Mo2 N12 P2 -","- C69 H66 F36 Mo2 N12 P2 -","- C138 H132 F72 Mo4 N24 P4 -","2","0.5","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","x-ray","0.71073","MoKα","","0.0596","0.0446","","","0.1118","0.1257","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036002","16.151","0.003","40.821","0.007","17.845","0.003","90","","99.871","0.002","90","","11591","4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C129 H156 Mo2 N8 P2 V2 -","- C129 H156 Mo2 N8 P2 V2 -","- C516 H624 Mo8 N32 P8 V8 -","4","1","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.0668","0.0467","","","0.1041","0.1146","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036003","54.295","0.009","16.506","0.003","32.198","0.005","90","","93.411","0.002","90","","28805","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H132 Mo4 N24 Ni O0 P4 -","- C140.5 Mo4 N16 Ni O6.5 P4 -","- C1124 Mo32 N128 Ni8 O52 P32 -","8","2","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.2401","0.2299","","","0.493","0.5048","","","","","","1.242","","","","has coordinates","161797","2020-10-21","18:00:00",""
"7036004","24.8542","0.0012","24.8542","0.0012","29.932","0.003","90","","90","","120","","16012.8","1.9","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C108 H132 Mo4 N16 Ni O6 P4 -","- C108 H132 Mo4 N16 Ni O6 P4 -","- C648 H792 Mo24 N96 Ni6 O36 P24 -","6","0.666667","","Hatnean, Jillian A.; Johnson, Samuel A.","Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14925","14936","10.1039/c5dt01415h","","","0.71073","MoKα","","0.0419","0.036","","","0.0767","0.0796","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036010","7.639","0.007","10.183","0.01","11.14","0.01","90","","99.247","0.01","90","","855.3","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Cd O5 Sr -","- B2 Cd O5 Sr -","- B16 Cd8 O40 Sr8 -","8","1","","Zhang, Xingwen; Zhou, Zhengyang; Wu, Hongping; Pan, Shilie; Lei, Chen; Liu, Lu; Yang, Zhihua","An unusual density evolution between SrCdB2O5 polymorphs.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15823","15828","10.1039/c5dt00915d","","","0.71073","MoKα","","0.0316","0.0242","","","0.0538","0.0569","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036011","10.2973","0.0007","18.5146","0.0014","18.4627","0.0013","90","","99.274","0.002","90","","3473.9","0.4","294","","294","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Au N2 P S8 -","- C32 H26 Au N2 P S8 -","- C128 H104 Au4 N8 P4 S32 -","4","1","","Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15683","15689","10.1039/c5dt02534f","","x-ray","0.71073","MoKα","","0.062","0.0498","","","0.1267","0.1386","","","","","","1.232","","","","has coordinates,has disorder","161345","2020-10-21","18:00:00",""
"7036012","19.428","0.001","18.9619","0.0009","10.101","0.0005","90","","102.877","0.002","90","","3627.5","0.3","150","2","150","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C34 H30 Au N2 P S8 -","- C34 H30 Au N2 P S8 -","- C136 H120 Au4 N8 P4 S32 -","4","1","","Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15683","15689","10.1039/c5dt02534f","","x-ray","0.71073","MoKα","","0.0829","0.0512","","","0.1102","0.1274","","","","","","1.069","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036013","7.5056","0.0004","7.9184","0.0004","15.1842","0.0008","89.02","0.002","87.077","0.002","66.212","0.002","824.69","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H10 Au N2 S8 -","- C10 H10 Au N2 S8 -","- C20 H20 Au2 N4 S16 -","2","1","","Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15683","15689","10.1039/c5dt02534f","","x-ray","0.71073","MoKα","","0.0386","0.0322","","","0.087","0.0933","","","","","","1.077","","","","has coordinates","161345","2020-10-21","18:00:00",""
"7036014","20.089","0.003","15.835","0.002","28.012","0.003","90","","128.896","0.007","90","","6935.2","1.7","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C112 H159 Co2 Dy2 N27 O35 Zn4 -","- C106 H120 Co2 Dy2 N24 O20 Zn4 -","- C212 H240 Co4 Dy4 N48 O40 Zn8 -","2","0.5","","Hu, Kong-Qiu; Jiang, Xiang; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","A trimetallic strategy towards ZnDyCr and ZnDyCo single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15413","15416","10.1039/c5dt02175h","","","0.71073","MoKα","","0.0553","0.0479","","","0.1349","0.1403","","","","","","1.065","","","","has coordinates,has disorder","161369","2020-10-21","18:00:00",""
"7036015","16.929","0.003","22.842","0.005","20.172","0.004","90","","105.86","0.03","90","","7503","3","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H140 Cr2 Dy2 N24 O29 Zn4 -","- C96 H98 Cr2 Dy2 N20 O18 Zn4 -","- C192 H196 Cr4 Dy4 N40 O36 Zn8 -","2","0.5","","Hu, Kong-Qiu; Jiang, Xiang; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","A trimetallic strategy towards ZnDyCr and ZnDyCo single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15413","15416","10.1039/c5dt02175h","","","0.71073","MoKα","","0.1205","0.1","","","0.2759","0.2924","","","","","","0.98","","","","has coordinates","161369","2020-10-21","18:00:00",""
"7036016","16.509","0.002","11.1843","0.0017","27.176","0.004","90","","122.487","0.01","90","","4232.6","1.1","298","","298","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C74 H82 Fe4 Mn4 N14 O26 -","- C74 H82 Fe4 Mn4 N14 O26 -","- C148 H164 Fe8 Mn8 N28 O52 -","2","0.5","","Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.; Boča, Roman; Pombeiro, Armando J. L.","A self-assembled octanuclear complex bearing the uncommon close-packed {Fe4Mn4(μ4-O)4(μ-O)4} molecular core.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14918","14924","10.1039/c5dt02076j","","x-ray","0.71073","MoKα","","0.1519","0.0714","","","0.1448","0.1703","","","","","","0.921","","","","has coordinates","161845","2020-10-21","18:00:00",""
"7036017","13.8603","0.0005","17.902","0.0007","17.9413","0.0007","109.535","0.002","101.234","0.003","103.518","0.002","3894","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H59 B4 F16 Fe2 N27 O -","- C57 H59 B4 F16 Fe2 N27 O -","- C114 H118 B8 F32 Fe4 N54 O2 -","2","1","","Wu, Nan; Melan, Caroline F. C.; Stevenson, Kristina A.; Fleischel, Olivier; Guo, Huan; Habib, Fatemah; Holmberg, Rebecca J.; Murugesu, Muralee; Mosey, Nicholas J.; Nierengarten, Hélène; Petitjean, Anne","Systematic study of the synthesis and coordination of 2-(1,2,3-triazol-4-yl)-pyridine to Fe(ii), Ni(ii) and Zn(ii); ion-induced folding into helicates, mesocates and larger architectures, and application to magnetism and self-selection.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14991","15005","10.1039/c5dt00233h","","","0.71073","MoKα","","0.0717","0.0588","","","0.1546","0.1641","","","","","","1.025","","","","has coordinates,has disorder","161763","2020-10-21","18:00:00",""
"7036018","9.049","0.005","9.54","0.003","18.295","0.008","99.41","0.03","98.9","0.03","97.53","0.03","1519.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 N3 Si -","- C33 H45 N3 Si -","- C66 H90 N6 Si2 -","2","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0505","0.0384","","","0.0918","0.1","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036019","26.888","0.004","17.559","0.002","12.8562","0.0018","90","","93.712","0.017","90","","6057","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N6 O2 Si2 -","- C66 H90 N6 O2 Si2 -","- C264 H360 N24 O8 Si8 -","4","0.5","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0954","0.038","","","0.0748","0.0869","","","","","","0.802","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036020","10.4605","0.0017","13.003","0.002","13.411","0.002","111.238","0.01","91.783","0.007","96.105","0.017","1685.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H98 N6 S2 Si2 -","- C73 H98 N6 S2 Si2 -","- C73 H98 N6 S2 Si2 -","1","0.5","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0633","0.0431","","","0.1074","0.1263","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036021","20.372","0.004","9.872","0.002","17.527","0.004","90","","113.44","0.03","90","","3234","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N3 Se Si -","- C33 H45 N3 Se Si -","- C132 H180 N12 Se4 Si4 -","4","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0726","0.0462","","","0.1102","0.1182","","","","","","0.91","","","","has coordinates","161778","2020-10-21","18:00:00",""
"7036022","20.332","0.011","9.991","0.004","17.444","0.006","90","","113.408","0.018","90","","3252","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N3 Si Te -","- C33 H45 N3 Si Te -","- C132 H180 N12 Si4 Te4 -","4","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0371","0.0289","","","0.0904","0.1043","","","","","","0.825","","","","has coordinates","161778","2020-10-21","18:00:00",""
"7036023","17.885","0.01","10.954","0.007","36.93","0.02","90","","91.253","0.01","90","","7233","7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 N4 Si2 -","- C36 H54 N4 Si2 -","- C288 H432 N32 Si16 -","8","2","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.1002","0.0558","","","0.1238","0.1404","","","","","","1.071","","","","has coordinates","161778","2020-10-21","18:00:00",""
"7036024","9.866","0.003","12.248","0.004","16.69","0.006","92.69","0.03","98.34","0.02","108.06","0.03","1888.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N4 S Si -","- C40 H52 N4 S Si -","- C80 H104 N8 S2 Si2 -","2","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.06","0.0412","","","0.1109","0.1233","","","","","","0.953","","","","has coordinates,has disorder","161778","2020-10-21","18:00:00",""
"7036025","10.2963","0.0019","10.5302","0.0019","16.804","0.003","93.254","0.017","93.943","0.017","104.57","0.02","1754","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H45 Fe N3 O4 Si -","- C37 H45 Fe N3 O4 Si -","- C74 H90 Fe2 N6 O8 Si2 -","2","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0431","0.0338","","","0.0781","0.0892","","","","","","1.054","","","","has coordinates","161778","2020-10-21","18:00:00",""
"7036026","15.646","0.006","13.477","0.006","35.262","0.014","90","","101.163","0.012","90","","7295","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H59 Li N2 O2 -","- C39 H59 Li N2 O2 -","- C312 H472 Li8 N16 O16 -","8","2","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.1459","0.0641","","","0.1361","0.1676","","","","","","1.008","","","","has coordinates,has disorder","161778","2020-10-21","18:00:00",""
"7036027","14.761","0.002","14.761","0.002","24.465","0.004","90","","90","","120","","4616.4","1.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C31 H39 Cl3 N2 Si -","- C31 H39 Cl3 N2 Si -","- C186 H234 Cl18 N12 Si6 -","6","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0626","0.0481","","","0.1232","0.1328","","","","","","1.037","","","","has coordinates,has disorder","161778","2020-10-21","18:00:00",""
"7036028","15.191","0.0019","15.191","0.0019","12.3499","0.0018","90","","90","","120","","2468.1","0.6","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C33 H45 Cl2 N3 Si -","- C33 H45 Cl2 N3 Si -","- C99 H135 Cl6 N9 Si3 -","3","1","","Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian","Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14959","14974","10.1039/c5dt01581b","","","0.71073","MoKα","","0.0612","0.047","","","0.1102","0.1178","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036029","10.9736","0.0002","13.3638","0.0002","21.7523","0.0004","90","","90.796","0.001","90","","3189.65","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12.5 Cl N4.5 O Pd -","- C17 H12.5 Cl N4.5 O Pd -","- C136 H100 Cl8 N36 O8 Pd8 -","8","1","","Mori, Asami; Suzuki, Takayoshi; Nakatani, Yuichi; Sunatsuki, Yukinari; Kojima, Masaaki; Nakajima, Kiyohiko","Palladium(ii) mononuclear and palladium(ii)/ruthenium(ii) heterodinuclear complexes containing 2-quinolyl-substituted (pyridine-2-carbonyl)hydrazone.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15757","15760","10.1039/c5dt02345a","","","0.71075","MoKα","","0.0318","0.0255","","","0.0571","0.0596","","","","","","1.051","","","","has coordinates","161455","2020-10-21","18:00:00",""
"7036030","22.4138","0.0004","9.6592","0.0002","17.356","0.0003","90","","118.589","0.001","90","","3299.42","0.11","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H12 Cl2 N4 O Pd -","- C16.5 H12 Cl2 N4 O Pd -","- C132 H96 Cl16 N32 O8 Pd8 -","8","1","","Mori, Asami; Suzuki, Takayoshi; Nakatani, Yuichi; Sunatsuki, Yukinari; Kojima, Masaaki; Nakajima, Kiyohiko","Palladium(ii) mononuclear and palladium(ii)/ruthenium(ii) heterodinuclear complexes containing 2-quinolyl-substituted (pyridine-2-carbonyl)hydrazone.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15757","15760","10.1039/c5dt02345a","","","0.71075","MoKα","","0.0215","0.0202","","","0.0525","0.0532","","","","","","1.086","","","","has coordinates","161455","2020-10-21","18:00:00",""
"7036031","27.991","0.006","7.563","0.002","17.189","0.006","90","","95.354","0.015","90","","3623","1.8","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15.5 Cl2 N4.5 O2 Pd -","- C17 H12 Cl2 N4.5 O2 Pd -","- C136 H96 Cl16 N36 O16 Pd8 -","8","1","","Mori, Asami; Suzuki, Takayoshi; Nakatani, Yuichi; Sunatsuki, Yukinari; Kojima, Masaaki; Nakajima, Kiyohiko","Palladium(ii) mononuclear and palladium(ii)/ruthenium(ii) heterodinuclear complexes containing 2-quinolyl-substituted (pyridine-2-carbonyl)hydrazone.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15757","15760","10.1039/c5dt02345a","","","0.71075","MoKα","","0.039","0.0355","","","0.0943","0.0966","","","","","","1.099","","","","has coordinates","161455","2020-10-21","18:00:00",""
"7036032","10.7286","0.0005","15.317","0.0008","17.1968","0.0009","93.998","0.002","101.667","0.001","91.621","0.002","2758.2","0.2","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H45 Cl7 N4 O P2 Pd Ru -","- C54 H45 Cl7 N4 O P2 Pd Ru -","- C108 H90 Cl14 N8 O2 P4 Pd2 Ru2 -","2","1","","Mori, Asami; Suzuki, Takayoshi; Nakatani, Yuichi; Sunatsuki, Yukinari; Kojima, Masaaki; Nakajima, Kiyohiko","Palladium(ii) mononuclear and palladium(ii)/ruthenium(ii) heterodinuclear complexes containing 2-quinolyl-substituted (pyridine-2-carbonyl)hydrazone.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15757","15760","10.1039/c5dt02345a","","","0.71075","MoKα","","0.1149","0.0647","","","0.1331","0.1525","","","","","","1.054","","","","has coordinates","161455","2020-10-21","18:00:00",""
"7036033","9.8284","0.0005","17.411","0.0008","19.4494","0.0009","89.2778","0.0018","77.1894","0.0017","79.0992","0.0018","3185.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H66 B2 N8 O3 P2 Ru -","- C68 H66 B2 N8 O3 P2 Ru -","- C136 H132 B4 N16 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Marzaro, Lidia","Diazoalkane complexes of ruthenium with tris(pyrazolyl)borate and bis(pyrazolyl)acetate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15470","15480","10.1039/c5dt02113h","","","1.54178","CuKα","","0.0627","0.0513","","","0.1327","0.1404","","","","","","1.071","","","","has coordinates","161295","2020-10-21","18:00:00",""
"7036040","14.759","0.002","14.759","0.002","14.759","0.002","90","","90","","90","","3214.9","0.8","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cd Cl5 N3 -","- C30 H36 Cd Cl5 N3 -","- C120 H144 Cd4 Cl20 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0203","0.0194","","","0.0507","0.0513","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036041","14.6693","0.0004","14.6693","0.0004","14.6693","0.0004","90","","90","","90","","3156.66","0.15","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 N3 Zn -","- C30 H36 Cl5 N3 Zn -","- C120 H144 Cl20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0279","0.0255","","","0.0631","0.0644","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036042","14.7135","0.0006","14.7135","0.0006","14.7135","0.0006","90","","90","","90","","3185.3","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 Mn N3 O0 -","- C30 H36 Cl5 Mn N3 -","- C120 H144 Cl20 Mn4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0276","0.0262","","","0.0674","0.0683","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036043","14.654","0.0012","14.654","0.0012","14.654","0.0012","90","","90","","90","","3146.8","0.4","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Cl5 Co N3 O0 -","- C30 H36 Cl5 Co N3 -","- C120 H144 Cl20 Co4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0292","0.0264","","","0.0642","0.066","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036044","14.9853","0.0018","14.9853","0.0018","14.9853","0.0018","90","","90","","90","","3365.1","0.7","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C30 H36 Br5 N3 O0 Zn -","- C30 H36 Br5 N3 Zn -","- C120 H144 Br20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0442","0.0309","","","0.0606","0.0646","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036045","15.1987","0.0019","15.1987","0.0019","15.1987","0.0019","90","","90","","90","","3510.9","0.8","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C33 H42 Cd Cl5 N3 O0 -","- C33 H42 Cd Cl5 N3 -","- C132 H168 Cd4 Cl20 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.025","0.0234","","","0.0537","0.0546","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036046","15.1477","0.0008","15.1477","0.0008","15.1477","0.0008","90","","90","","90","","3475.7","0.3","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H36 Cl5 Co N3 -","- C33 H36 Cl5 Co N3 -","- C132 H144 Cl20 Co4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0357","0.031","","","0.0814","0.0844","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036047","15.208","0.003","15.208","0.003","15.208","0.003","90","","90","","90","","3517.4","1.2","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H39 Cl5 Hg N3 -","- C33 H39 Cl5 Hg N3 -","- C132 H156 Cl20 Hg4 N12 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0364","0.0323","","","0.0759","0.0773","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036048","15.155","0.004","15.155","0.004","15.155","0.004","90","","90","","90","","3480.7","1.6","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C33 H42 Cl5 N3 Zn -","- C33 H42 Cl5 N3 Zn -","- C132 H168 Cl20 N12 Zn4 -","4","0.333333","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0298","0.026","","","0.0615","0.0631","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036049","10.428","0.008","11.382","0.008","14.421","0.011","86.257","0.008","74.387","0.007","62.935","0.007","1464.7","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl5 N3 O0 Zn -","- C27 H30 Cl5 N3 Zn -","- C54 H60 Cl10 N6 Zn2 -","2","1","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0436","0.0374","","","0.0933","0.0968","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036050","8.5477","0.0007","11.5561","0.0009","16.7666","0.0013","94.564","0.001","90.669","0.001","92.301","0.001","1649.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Cd Cl5 N3 O -","- C30 H37 Cd Cl5 N3 O -","- C60 H74 Cd2 Cl10 N6 O2 -","2","1","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0469","0.0406","","","0.0923","0.0962","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036051","8.5878","0.0019","11.611","0.003","16.134","0.004","93.826","0.003","92.064","0.003","90.772","0.003","1603.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H37 Cl5 Cu N3 O -","- C30 H37 Cl5 Cu N3 O -","- C60 H74 Cl10 Cu2 N6 O2 -","2","1","","Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier","Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15960","15965","10.1039/c5dt02387d","","","0.71073","MoKα","","0.0641","0.0492","","","0.1238","0.1336","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036052","17.0182","0.0019","10.5013","0.0011","22.983","0.003","90","","107.08","0.005","90","","3926.2","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ir(dph-oxd)2(pzpy)]PF6","","- C37 H31 F6 Ir N9 O3 P -","- C39 H31 F6 Ir N7 O3 P -","- C156 H124 F24 Ir4 N28 O12 P4 -","4","1","","Wang, Zhen; He, Lei; Duan, Lian; Yan, Jun; Tang, Ruiren; Pan, Chunyue; Song, Xiangzhi","Blue-green emitting cationic iridium complexes with 1,3,4-oxadiazole cyclometallating ligands: synthesis, photophysical and electrochemical properties, theoretical investigation and electroluminescent devices.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15914","15923","10.1039/c5dt02083b","","","0.71073","MoKα","","0.0578","0.039","","","0.098","0.1095","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036053","6.7219","0.0005","7.6479","0.0006","20.814","0.0015","89.99","0.003","87.244","0.004","66.833","0.004","982.39","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 Cl N4 O3 Re -","- C21 H14 Cl N4 O3 Re -","- C42 H28 Cl2 N8 O6 Re2 -","2","1","","Hasheminasab, A.; Wang, L.; Dawadi, M. B.; Bass, J.; Herrick, R. S.; Rack, J. J.; Ziegler, C. J.","Induction of E/Z isomerization in a pendant metal-bound azobenzene: a synthetic, spectroscopic and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15400","15403","10.1039/c5dt02480c","","","0.71073","MoKα","","0.0418","0.0367","","","0.0868","0.0901","","","","","","0.866","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036054","6.7633","0.0007","7.6885","0.0008","20.877","0.002","90.827","0.005","92.695","0.005","112.441","0.004","1001.66","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 Br N4 O3 Re -","- C21 H14 Br N4 O3 Re -","- C42 H28 Br2 N8 O6 Re2 -","2","1","","Hasheminasab, A.; Wang, L.; Dawadi, M. B.; Bass, J.; Herrick, R. S.; Rack, J. J.; Ziegler, C. J.","Induction of E/Z isomerization in a pendant metal-bound azobenzene: a synthetic, spectroscopic and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15400","15403","10.1039/c5dt02480c","","","0.71073","MoKα","","0.0341","0.0317","","","0.0724","0.0732","","","","","","1.284","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036055","10.35064","0.00018","16.2471","0.0003","29.6352","0.0007","90","","91.3085","0.0018","90","","4982.39","0.17","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.67 H44.58 Ag2 B2 F8 N10 O1.35 -","- C42.675 H44.582 Ag2 B2 F8 N10 O1.353 -","- C170.7 H178.328 Ag8 B8 F32 N40 O5.412 -","4","1","","Davis, Timothy L.; Watts, Joshua L.; Brown, Kenneth J.; Hewage, Jeewantha S.; Treleven, Alexander R.; Lindeman, Sergey V.; Gardinier, James R.","Structural classification of metal complexes with three-coordinate centres.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15408","15412","10.1039/c5dt02773j","","","1.54184","CuKα","","0.0683","0.0602","","","0.1707","0.1789","","","","","","1.056","","","","has coordinates","161354","2020-10-21","18:00:00",""
"7036056","10.4401","0.0003","11.0107","0.0004","13.8825","0.0004","66.887","0.003","85.557","0.003","67.084","0.003","1346.54","0.09","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C24.5 H23 Ag Cl F6 Fe N4 O Sb -","- C24.5 H23 Ag Cl F6 Fe N4 O Sb -","- C49 H46 Ag2 Cl2 F12 Fe2 N8 O2 Sb2 -","2","1","","Davis, Timothy L.; Watts, Joshua L.; Brown, Kenneth J.; Hewage, Jeewantha S.; Treleven, Alexander R.; Lindeman, Sergey V.; Gardinier, James R.","Structural classification of metal complexes with three-coordinate centres.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15408","15412","10.1039/c5dt02773j","","","0.7107","MoKα","","0.0366","0.0291","","","0.0642","0.0685","","","","","","1.032","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036057","18.05076","0.0001","11.58354","0.00006","14.95352","0.00007","90","","121.932","0.0004","90","","2653.53","0.03","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl Co Eu O6 -","- C8 H16 Cl Co Eu O6 -","- C64 H128 Cl8 Co8 Eu8 O48 -","8","1","","Abdallah, A.; Gaudisson, T.; Sibille, R.; Nowak, S.; Cheikhrouhou-Koubaa, W; Shinoda, K.; François, M; Ammar, S.","Structural and magnetic properties of mixed Co-Ln (Ln = Nd, Sm, Eu, Gd and Ho) diethyleneglycolate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16013","16023","10.1039/c5dt02346g","powder diffraction","","0.666332","Synchrotron","","","","","","","","","6.0639","1.22","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036058","5.9083","0.0015","8.824","0.002","18.775","0.005","90","","96.643","0.018","90","","972.3","0.4","100","2","99.65","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C52 H38 N6 O2 -","2","1","","Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick","The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16061","16072","10.1039/c5dt02211h","","","0.71073","MoKα","","0.1215","0.0963","","","0.2477","0.2762","","","","","","1.125","","","","has coordinates","161515","2020-10-21","18:00:00",""
"7036059","8.684","0.002","19.023","0.005","10.487","0.003","90","","96.817","0.003","90","","1720.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cl Cu N5 O7 -","- C15 H12 Cl Cu N5 O7 -","- C60 H48 Cl4 Cu4 N20 O28 -","4","0.5","","Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick","The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16061","16072","10.1039/c5dt02211h","","","0.7749","synchrotron","","0.0388","0.0354","","","0.0947","0.0972","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036060","7.2118","0.0009","19.471","0.002","37.885","0.005","90","","91.302","0.002","90","","5318.5","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cu N5 O9 -","- C27 H25 Cu N5 O9 -","- C216 H200 Cu8 N40 O72 -","8","2","","Grau, Jordi; Brissos, Rosa F.; Salinas-Uber, Jorge; Caballero, Ana B.; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick","The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16061","16072","10.1039/c5dt02211h","","","0.7749","synchrotron","","0.0684","0.0572","","","0.1648","0.1734","","","","","","1.014","","","","has coordinates","161515","2020-10-21","18:00:00",""
"7036061","7.0807","0.0001","9.411","0.0001","14.0768","0.0002","93.622","0.001","99.297","0.001","111.59","0.001","853.04","0.02","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Mo N O5 -","- C18 H17 Mo N O5 -","- C36 H34 Mo2 N2 O10 -","2","1","","Kaposi, Marlene; Cokoja, Mirza; Hutterer, Christine H.; Hauser, Simone A.; Kaposi, Tobias; Klappenberger, Florian; Pöthig, Alexander; Barth, Johannes V.; Herrmann, Wolfgang A.; Kühn, Fritz E","Immobilisation of a molecular epoxidation catalyst on UiO-66 and -67: the effect of pore size on catalyst activity and recycling.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15976","15983","10.1039/c5dt01340b","","x-ray","0.71073","MoKα","","0.0176","0.0166","","","0.0421","0.0426","","","","","","1.083","","","","has coordinates","161393","2020-10-21","18:00:00",""
"7036062","26.7882","0.0006","26.7882","0.0006","26.7882","0.0006","90","","90","","90","","19223.4","0.7","123","2","123","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H24 N3 O16 Zr3 -","- C42 H24 N3 O16 Zr3 -","- C336 H192 N24 O128 Zr24 -","8","0.0416667","","Kaposi, Marlene; Cokoja, Mirza; Hutterer, Christine H.; Hauser, Simone A.; Kaposi, Tobias; Klappenberger, Florian; Pöthig, Alexander; Barth, Johannes V.; Herrmann, Wolfgang A.; Kühn, Fritz E","Immobilisation of a molecular epoxidation catalyst on UiO-66 and -67: the effect of pore size on catalyst activity and recycling.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15976","15983","10.1039/c5dt01340b","","x-ray","0.71073","MoKα","","0.0495","0.0481","","","0.1378","0.1396","","","","","","1.237","","","","has coordinates","161393","2020-10-21","18:00:00",""
"7036063","11.3556","0.0002","11.7592","0.0002","14.6216","0.0003","90","","96.896","0.001","90","","1938.34","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 Cr N5 -","- C17 H20 Cl2 Cr N5 -","- C68 H80 Cl8 Cr4 N20 -","4","1","","Pinheiro, A. C.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Ethylene oligomerization promoted by chromium complexes bearing pyrrolide-imine-amine/ether tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16073","16080","10.1039/c5dt02025e","","x-ray","0.71073","MoKα","","0.0341","0.0287","","","0.0721","0.0752","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036064","11.1031","0.0006","13.1698","0.0007","17.003","0.001","90","","107.709","0.002","90","","2368.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl2 Cr N4 -","- C19 H25 Cl2 Cr N4 -","- C76 H100 Cl8 Cr4 N16 -","4","1","","Pinheiro, A. C.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Ethylene oligomerization promoted by chromium complexes bearing pyrrolide-imine-amine/ether tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16073","16080","10.1039/c5dt02025e","","x-ray","0.71073","MoKα","","0.0578","0.0475","","","0.123","0.1274","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036065","11.5555","0.0005","13.2415","0.0005","20.806","0.0007","94.145","0.003","92.86","0.003","115.723","0.004","2848.9","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 N2 O6 S2 -","- C60 H78 N2 O6 S2 -","- C120 H156 N4 O12 S4 -","2","1","","Guzmán-Percástegui, Edmundo; Vonlanthen, Mireille; Quiroz-García, Beatriz; Flores-Alamo, Marcos; Rivera, Ernesto; Castillo, Ivan","Supramolecular fluorescence enhancement via coordination-driven self-assembly in bis-picolylcalixarene blue-emitting M2L2Xn macrocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15966","15975","10.1039/c5dt02058a","","","0.71073","MoKα","","0.0906","0.0665","","","0.1603","0.1823","","","","","","1.054","","","","has coordinates,has disorder","161476","2020-10-21","18:00:00",""
"7036066","8.9225","0.0003","9.5404","0.0003","42.2003","0.0011","90","","90.1","0.02","90","","3592.26","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 Cl2 N2 -","- C38 H48 B2 Cl2 N2 -","- C152 H192 B8 Cl8 N8 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Mobin, Shaikh M.","Colorimetric and fluorimetric detection of fluoride and cyanide ions using tri and tetra coordinated boron containing chromophores.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16052","16060","10.1039/c5dt02356d","","","0.71073","MoKα","","0.0874","0.067","","","0.1763","0.1946","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036067","13.829","0.0004","16.4725","0.0003","14.2509","0.0003","90","","114.352","0.003","90","","2957.5","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 F2 N2 -","- C35 H32 B2 F2 N2 -","- C140 H128 B8 F8 N8 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Mobin, Shaikh M.","Colorimetric and fluorimetric detection of fluoride and cyanide ions using tri and tetra coordinated boron containing chromophores.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16052","16060","10.1039/c5dt02356d","","","1.5418","CuKα","","0.0831","0.0669","","","0.2028","0.2224","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036068","21.0073","0.0016","12.6894","0.001","7.7367","0.0006","90","","99.501","0.004","90","","2034.1","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 D6 N6 Zn2 -","- C20 H16 D6 N6 Zn2 -","- C80 H64 D24 N24 Zn8 -","4","0.5","","Gondzik, S.; Wölper, C; Haack, R.; Jansen, G.; Schulz, S.","(Me)L2Zn2(μ-1,6-Ph2-N6) - a building block for new hexazene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15703","15711","10.1039/c5dt02423d","","","0.71073","MoKα","","0.0482","0.0381","","","0.0922","0.0985","","","","","","1.141","","","","has coordinates","161279","2020-10-21","18:00:00",""
"7036069","10.0346","0.0005","16.9894","0.0008","10.1868","0.0005","90","","117.059","0.002","90","","1546.57","0.13","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N8 Zn2 -","- C30 H34 N8 Zn2 -","- C60 H68 N16 Zn4 -","2","0.5","","Gondzik, S.; Wölper, C; Haack, R.; Jansen, G.; Schulz, S.","(Me)L2Zn2(μ-1,6-Ph2-N6) - a building block for new hexazene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15703","15711","10.1039/c5dt02423d","","","0.71073","MoKα","","0.0492","0.0372","","","0.0964","0.1048","","","","","","1.088","","","","has coordinates","161279","2020-10-21","18:00:00",""
"7036070","6.0589","0.0009","6.0589","0.0009","15.024","0.003","90","","90","","120","","477.64","0.14","153.15","","153.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K3 La O9 Te2 -","- K3 La O9 Te2 -","- K6 La2 O18 Te4 -","2","0.0833333","","Zhang, Xinyuan; Yao, Jiyong; Jiang, Xingxing; Fu, Ying; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","K3LaTe2O9: a new alkali-rare earth tellurate with face-sharing TeO6 octahedra.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15576","15582","10.1039/c5dt02255j","","","0.71073","MoKα","","0.0233","0.0227","","","0.0463","0.0465","","","","","","2.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036071","11.305","0.002","14.497","0.003","16.41","0.003","70.12","0.03","89.32","0.04","73.8","0.03","2418.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N6 Nd2 O14 S3 -","- C48 H28 N6 Nd2 O14 S3 -","- C96 H56 N12 Nd4 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0507","0.0361","","","0.0844","0.0892","","","","","","1.041","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036072","11.2941","0.0003","14.5181","0.0004","16.4145","0.0004","70.151","0.004","89.57","0.005","74.061","0.005","2423.28","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N6 O14 S3 Sm2 -","- C48 H28 N6 O14 S3 Sm2 -","- C96 H56 N12 O28 S6 Sm4 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0443","0.0326","","","0.0705","0.0764","","","","","","1.022","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036073","9.99","0.006","14.334","0.007","18.575","0.007","110.283","0.006","99.536","0.005","99.03","0.005","2393","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Eu2 N6 O14 S3 -","- C48 H28 Eu2 N6 O14 S3 -","- C96 H56 Eu4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0538","0.0395","","","0.0887","0.0976","","","","","","1.053","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036074","9.998","0.006","14.333","0.006","18.542","0.007","110.286","0.005","99.753","0.004","98.966","0.005","2389","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Gd2 N6 O14 S3 -","- C48 H27 Gd2 N6 O14 S3 -","- C96 H54 Gd4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.043","0.0299","","","0.062","0.0681","","","","","","1.019","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036075","10.0115","0.0008","14.3215","0.0011","18.4709","0.0015","110.097","0.01","99.868","0.011","99.041","0.01","2382.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N6 O14 S3 Tb2 -","- C48 H28 N6 O14 S3 Tb2 -","- C96 H56 N12 O28 S6 Tb4 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0441","0.0335","","","0.0771","0.0831","","","","","","1.027","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036076","10.007","0.005","14.298","0.006","18.414","0.006","109.983","0.005","99.963","0.004","99.123","0.004","2370.3","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Dy2 N6 O14 S3 -","- C48 H28 Dy2 N6 O14 S3 -","- C96 H56 Dy4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0486","0.0319","","","0.0659","0.0706","","","","","","1.084","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036077","10.0126","0.0014","14.278","0.002","18.369","0.003","109.892","0.004","99.969","0.004","99.169","0.003","2363.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ho2 N6 O14 S3 -","- C48 H28 Ho2 N6 O14 S3 -","- C96 H56 Ho4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0755","0.0441","","","0.0789","0.0916","","","","","","1.035","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036078","11.2143","0.0006","14.1588","0.0007","16.135","0.0008","109.045","0.009","94.266","0.008","99.948","0.009","2361.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Er2 N6 O14 S3 -","- C48 H28 Er2 N6 O14 S3 -","- C96 H56 Er4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0689","0.047","","","0.0941","0.1007","","","","","","1.044","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036079","11.1911","0.0007","14.136","0.0009","16.1242","0.001","108.997","0.011","94.492","0.01","99.7","0.012","2353","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N6 O14 S3 Tm2 -","- C48 H28 N6 O14 S3 Tm2 -","- C96 H56 N12 O28 S6 Tm4 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0189","0.0165","","","0.0392","0.0404","","","","","","1.058","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036080","11.165","0.005","14.113","0.007","16.117","0.008","108.934","0.007","94.613","0.006","99.554","0.006","2344","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N6 O14 S3 Yb2 -","- C48 H28 N6 O14 S3 Yb2 -","- C96 H56 N12 O28 S6 Yb4 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.064","0.0435","","","0.1007","0.1075","","","","","","1.061","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036081","11.1563","0.0004","14.0857","0.0005","16.1004","0.0006","108.865","0.003","94.701","0.002","99.566","0.002","2335.79","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Lu2 N6 O14 S3 -","- C48 H28 Lu2 N6 O14 S3 -","- C96 H56 Lu4 N12 O28 S6 -","2","1","","Carter, Korey P.; Zulato, Cecília H F; Rodrigues, Emille M.; Pope, Simon J. A.; Sigoli, Fernando A.; Cahill, Christopher L.","Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15843","15854","10.1039/c5dt02596f","","x-ray","0.71073","MoKα","","0.0575","0.0343","","","0.0561","0.0634","","","","","","0.982","","","","has coordinates","161403","2020-10-21","18:00:00",""
"7036082","9.4601","0.0009","12.9288","0.0011","19.082","0.003","90","","119.79","0.016","90","","2025.5","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H40 B4 Mg N2 -","- C8 H40 B4 Mg N2 -","- C32 H160 B16 Mg4 N8 -","4","1","","Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.","Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19469","19477","10.1039/c5dt02005k","powder diffraction","x-ray","1.5418","CuKα","","0.0511","0.0413","","0.0346","0.0342","","","","1.39","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036083","14.406","0.002","14.406","0.002","13.59","0.003","90","","90","","90","","2820.4","0.8","298","","298","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C24 H36 B4 Eu P -","- C24 H36 B4 Eu P -","- C96 H144 B16 Eu4 P4 -","4","0.25","","Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.","Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19469","19477","10.1039/c5dt02005k","powder diffraction","x-ray","1.5418","CuKα","","0.0603","0.0559","","0.04","0.0396","","","","1.21","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036084","11.216","0.003","19.919","0.006","21.053","0.006","90","","91.843","0.005","90","","4701","2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 B4 Mn P2 -","- C48 H56 B4 Mn P2 -","- C192 H224 B16 Mn4 P8 -","4","0.5","","Starobrat, A.; Tyszkiewicz, M. J.; Wegner, W.; Pancerz, D.; Orłowski, P A; Leszczyński, P J; Fijalkowski, K. J.; Jaroń, T; Grochala, W.","Salts of highly fluorinated weakly coordinating anions as versatile precursors towards hydrogen storage materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19469","19477","10.1039/c5dt02005k","powder diffraction","x-ray","1.5418","CuKα","","0.0528","0.0514","","0.0512","0.0511","","","","1.89","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036085","10.849","0.005","14.788","0.005","24.988","0.005","102.98","0.005","94.757","0.005","109.062","0.005","3639","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H115 Cr Dy2 O16 -","- C61 H115 Cr Dy2 O16 -","- C122 H230 Cr2 Dy4 O32 -","2","1","","Car, Pierre-Emmanuel; Favre, Annaïck; Caneschi, Andrea; Sessoli, Roberta","Single molecule magnet behaviour in a rare trinuclear {Cr(III)Dy} methoxo-bridged complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15769","15773","10.1039/c5dt02459e","","","0.71069","MoKα","","0.1031","0.0518","","","0.1088","0.1189","","","","","","0.861","","","","has coordinates,has disorder","161429","2020-10-21","18:00:00",""
"7036086","10.941","0.003","11.036","0.003","12.736","0.003","88.821","0.004","73.295","0.003","60.986","0.003","1275","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N O2 Pt -","- C34 H27 N O2 Pt -","- C68 H54 N2 O4 Pt2 -","2","1","","Expósito, J Emilio; Álvarez-Paíno, Marta; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Higher fluorescence in platinum(iv) orthometallated complexes of perylene imine compared with their platinum(ii) or palladium(ii) analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16164","16176","10.1039/c5dt02572a","","","0.71073","MoKα","","0.0217","0.0188","","","0.0449","0.046","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036087","9.2229","0.0003","7.4651","0.0002","40.1846","0.0012","90","","94.748","0.003","90","","2757.21","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 Pt S2 -","- C34 H30 N2 Pt S2 -","- C136 H120 N8 Pt4 S8 -","4","1","","Expósito, J Emilio; Álvarez-Paíno, Marta; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Higher fluorescence in platinum(iv) orthometallated complexes of perylene imine compared with their platinum(ii) or palladium(ii) analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16164","16176","10.1039/c5dt02572a","","","0.71073","MoKα","","0.0587","0.0463","","","0.0705","0.0753","","","","","","1.253","","","","has coordinates","161450","2020-10-21","18:00:00",""
"7036088","17.4454","0.0005","10.8317","0.0002","24.4189","0.0006","90","","109.196","0.003","90","","4357.7","0.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H47 I N O P Pt -","- C52 H47 I N O P Pt -","- C208 H188 I4 N4 O4 P4 Pt4 -","4","1","","Expósito, J Emilio; Álvarez-Paíno, Marta; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Higher fluorescence in platinum(iv) orthometallated complexes of perylene imine compared with their platinum(ii) or palladium(ii) analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16164","16176","10.1039/c5dt02572a","","","0.71073","MoKα","","0.0566","0.0324","","","0.0603","0.0654","","","","","","0.98","","","","has coordinates","161450","2020-10-21","18:00:00",""
"7036101","9.895","0.011","11.081","0.012","32.12","0.03","90","","90","","90","","3522","6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl2 N2 O8 Ru2 -","- C30 H44 Cl2 N2 O8 Ru2 -","- C120 H176 Cl8 N8 O32 Ru8 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.083","0.062","","","0.1584","0.1735","","","","","","1.104","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036102","9.8435","0.0018","18.184","0.004","11.679","0.003","90","","112.412","0.014","90","","1932.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 Cl N2 Ru -","- C19 H29 Cl N2 Ru -","- C76 H116 Cl4 N8 Ru4 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.1183","0.0517","","","0.1042","0.1299","","","","","","0.966","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036103","11.2603","0.0018","15.897","0.003","13.222","0.003","90","","121.976","0.012","90","","2007.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 Ru -","- C22 H25 Cl N2 Ru -","- C88 H100 Cl4 N8 Ru4 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.1852","0.0569","","","0.0943","0.1309","","","","","","0.96","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036104","9.5877","0.0012","15.183","0.002","13.9495","0.0017","90","","96.417","0.009","90","","2017.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl N2 O Ru -","- C20 H26 Cl N2 O Ru -","- C80 H104 Cl4 N8 O4 Ru4 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.1047","0.0551","","","0.142","0.1634","","","","","","1.023","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036105","17.01","0.007","11.237","0.005","13.004","0.005","90","","91.5","0.03","90","","2484.8","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N2 O Ru -","- C24 H36 Cl N2 O Ru -","- C96 H144 Cl4 N8 O4 Ru4 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.1293","0.0514","","","0.1231","0.158","","","","","","0.992","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036106","10.5238","0.0002","43.9969","0.0015","12.3994","0.0003","90","","99.663","0.002","90","","5659.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4,4'-bis(tert-butyl)-2,2'-bipyridyl] bis[1-methyl-3-(2-pyridyl)pyridin-4-yl-ium-C4,N?]iridium(III) tris(hexafluorophosphate) tris(acetone) solvate","","- C49 H62 F18 Ir N6 O3 P3 -","- C49 H62 F18 Ir N6 O3 P3 -","- C196 H248 F72 Ir4 N24 O12 P12 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Water-soluble Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: fluorine-free blue emitters.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15420","15423","10.1039/c5dt02591e","","","0.71073","MoKα","","0.0883","0.0793","","","0.1556","0.161","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036107","16.815","0.005","11.822","0.003","22.655","0.012","90","","111.57","0.05","90","","4188","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2,2'-bipyridyl) bis[1-methyl-3-(2-pyridyl)pyridin-4-yl-ium-C4,N?]iridium(III) tris(hexafluorophosphate) bis(acetonitrile) solvate","","- C36 H34 F18 Ir N8 P3 -","- C36 H34 F18 Ir N8 P3 -","- C144 H136 F72 Ir4 N32 P12 -","4","2","","Coe, Benjamin J.; Helliwell, Madeleine; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Water-soluble Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: fluorine-free blue emitters.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15420","15423","10.1039/c5dt02591e","","","0.71073","MoKα","","0.1112","0.0641","","","0.1346","0.1641","","","","","","0.993","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7036108","13.014","0.001","12.449","0.001","17.724","0.002","90","","96.55","0.01","90","","2852.7","0.5","160","","160","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 B Cl F4 Fe N6 O5 -","- C26 H32 B Cl F4 Fe N6 O5 -","- C104 H128 B4 Cl4 F16 Fe4 N24 O20 -","4","1","","Wang, J.; Gondrand, C.; Touti, F.; Hasserodt, J.","A pair of highly biotolerated diamagnetic and paramagnetic iron(ii) complexes displaying electroneutrality.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15391","15395","10.1039/c5dt02192h","","","0.7107","MoKα","","0.0928","0.0639","","0.168","0.1207","0.168","","","","","","0.9847","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036109","16.3423","0.001","15.907","0.0009","15.684","0.001","90","","90","","90","","4077.2","0.4","100","","100","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C42 H42 B N3 P2 S -","- C42 H42 B N3 P2 S -","- C168 H168 B4 N12 P8 S4 -","4","1","","Jaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15779","15785","10.1039/c5dt02788h","","","0.71073","MoKα","","0.0378","0.0341","","","0.0884","0.0901","","","","","","1.058","","","","has coordinates","161520","2020-10-21","18:00:00",""
"7036110","37.392","0.003","37.392","0.003","10.8529","0.0013","90","","90","","90","","15174","3","100","","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H42 B N3 P2 Se -","- C42 H42 B N3 P2 Se -","- C672 H672 B16 N48 P32 Se16 -","16","1","","Jaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15779","15785","10.1039/c5dt02788h","","","0.71073","MoKα","","0.0822","0.0632","","","0.1326","0.1459","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036111","10.3449","0.0019","24.233","0.004","16.167","0.003","90","","92.304","0.007","90","","4049.6","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 B2 Cl3 N3 P2 -","- C42 H44 B2 Cl3 N3 P2 -","- C168 H176 B8 Cl12 N12 P8 -","4","1","","Jaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15779","15785","10.1039/c5dt02788h","","","0.71073","MoKα","","0.0476","0.0442","","","0.1194","0.1231","","","","","","1.026","","","","has coordinates,has disorder","161520","2020-10-21","18:00:00",""
"7036119","9.498","0.0002","15.709","0.0003","21.263","0.0003","90","","90.837","0.001","90","","3172.19","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N7 Nd O20 -","- C23 H16 N7 Nd O20 -","- C92 H64 N28 Nd4 O80 -","4","1","","Jassal, Amanpreet Kaur; Aliaga-Alcalde, Núria; Corbella, Montserrat; Aravena, Daniel; Ruiz, Eliseo; Hundal, Geeta","Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15774","15778","10.1039/c5dt02533h","","","0.71073","MoKα","","0.0887","0.0394","","","0.0748","0.09","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036120","17.538","0.0005","6.948","0.0002","19.147","0.0006","90","","101.684","0.0012","90","","2284.79","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H13 N4 Nd O16 -","- C16 H13 N4 Nd O16 -","- C64 H52 N16 Nd4 O64 -","4","2","","Jassal, Amanpreet Kaur; Aliaga-Alcalde, Núria; Corbella, Montserrat; Aravena, Daniel; Ruiz, Eliseo; Hundal, Geeta","Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15774","15778","10.1039/c5dt02533h","","","0.71073","MoKα","","0.0255","0.0233","","","0.0575","0.0594","","","","","","0.702","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036121","6.564","0.0013","21.643","0.004","11.766","0.002","90","","103.35","0.03","90","","1626.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans,cis-[RuCl2(CO)2(cppCH3-Np)]","","- C13 H9.9 Cl2 N3 O4.45 Ru -","- C13 H9.9 Cl2 N3 O4.45 Ru -","- C52 H39.6 Cl8 N12 O17.8 Ru4 -","4","1","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","Synchrotron","","0.0483","0.0457","","","0.1015","0.1031","","","","","","1.194","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036122","8.275","0.002","9.618","0.002","12.681","0.003","82.67","0.03","73.04","0.03","78.6","0.03","943.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Cl2 N3 O2 Ru S2 -","- C14 H21 Cl2 N3 O2 Ru S2 -","- C28 H42 Cl4 N6 O4 Ru2 S4 -","2","1","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","Synchrotron","","0.0386","0.0364","","","0.0779","0.0789","","","","","","1.138","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7036123","13.018","0.0004","8.212","0.0008","17.521","0.0004","90","","91.934","0.019","90","","1872","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 N3 O2 Ru S2 -","- C14 H21 Cl2 N3 O2 Ru S2 -","- C56 H84 Cl8 N12 O8 Ru4 S8 -","4","1","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","Synchrotron","","0.0263","0.0247","","","0.0619","0.0629","","","","","","1.058","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7036124","23.066","0.0014","23.066","0.0014","19.425","0.004","90","","90","","120","","8950","2","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","trans,cis-[RuCl2(dmso-S)2(mpp-Np)]","","- C43 H67 Cl6 N9 O7 Ru3 S6 -","- C43 H66.9996 Cl6 N9 O6.9999 Ru3 S6 -","- C258 H401.998 Cl36 N54 O41.9994 Ru18 S36 -","6","","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","synchrotron","","0.0373","0.0367","","","0.1289","0.1298","","","","","","1.246","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7036125","13.418","0.001","8.254","0.003","15.226","0.0016","90","","111.383","0.003","90","","1570.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","trans,cis‒[RuCl2(CO)2(cppH-Np)]","","- C12 H9 Cl2 N3 O5 Ru -","- C12 H9 Cl2 N3 O5 Ru -","- C48 H36 Cl8 N12 O20 Ru4 -","4","1","","Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo","(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15671","15682","10.1039/c5dt02361k","","","0.7","synchrotron","","0.0475","0.0428","","","0.1182","0.1239","","","","","","1.052","","","","has coordinates","161310","2020-10-21","18:00:00",""
"7036126","18.4133","0.0019","13.6493","0.0013","20.839","0.002","90","","101.855","0.003","90","","5125.7","0.9","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}rhodium(I) dimer","","- C52 H50 F10 N3 O4 Rh2 -","- C52 H50 F10 N2 O2 Rh2 -","- C208 H200 F40 N8 O8 Rh8 -","4","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19487","19493","10.1039/c5dt01981h","","","0.71073","MoKα","","0.078","0.0449","","","0.0824","0.0908","","","","","","0.961","","","","has coordinates","171158","2020-10-21","18:00:00",""
"7036127","9.9058","0.0008","21.0289","0.0017","21.6355","0.0016","102.878","0.003","99.532","0.003","90.372","0.003","4328.4","0.6","90","","90","","","","","","","","","7","P -1","-P 1","2","","bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}tricyclohexylphosphine rhodium(I)","","- C45.5 H61.5 F5 N O P Rh -","- C45.5 H61.5 F5 N O P Rh -","- C182 H246 F20 N4 O4 P4 Rh4 -","4","2","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19487","19493","10.1039/c5dt01981h","","","0.71073","MoKα","","0.0798","0.0528","","","0.1349","0.1457","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036128","11.1408","0.0007","37.184","0.002","12.9377","0.0008","90","","96.381","0.001","90","","5326.4","0.6","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(triphenylphosphine)(pentafluorophenyl)rhodium(I)","","- C65.94 H58.86 F5 P3 Rh -","- C65.94 H58.86 F5 P3 Rh -","- C263.76 H235.44 F20 P12 Rh4 -","4","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19487","19493","10.1039/c5dt01981h","","","0.71073","MoKα","","0.0694","0.0414","","","0.0765","0.0853","","","","","","1.012","","","","has coordinates,has disorder","171158","2020-10-21","18:00:00",""
"7036129","11.6503","0.0012","20.98","0.002","11.7247","0.0013","90","","91.257","0.002","90","","2865.1","0.5","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bicyclo[2.2.1]hepta-2,5-dienetricyclohexylphosphinepentafluorophenylrhodium","","- C31 H41 F5 P Rh -","- C31 H41 F5 P Rh -","- C124 H164 F20 P4 Rh4 -","4","1","","Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.","Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19487","19493","10.1039/c5dt01981h","","","0.71073","MoKα","","0.04","0.0355","","","0.0891","0.0927","","","","","","1.054","","","","has coordinates","171158","2020-10-21","18:00:00",""
"7036130","9.9661","0.001","11.2627","0.0012","17.8079","0.0019","83.514","0.006","74.551","0.005","66.44","0.005","1766","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl2 N6 Ni2 O12 -","- C31 H31.94 Cl2 N6 Ni2 O12 -","- C62 H63.88 Cl4 N12 Ni4 O24 -","2","1","","Poornima, S.; Gunasekaran, K.; Kandaswamy, M.","Nuclease activity and interaction studies of unsymmetrical binuclear Ni(ii) complexes with CT-DNA and BSA.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16361","16371","10.1039/c4dt01744g","","","0.71073","MoKα","","0.0625","0.0457","","","0.1219","0.135","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036131","12.831","0.004","4.3239","0.0013","10.846","0.003","90","","90","","90","","601.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Trimethyltin fluoride","","- C3 H9 F Sn -","- C3 H9 F Sn -","- C12 H36 F4 Sn4 -","4","0.5","","Chaudhary, Praveen; Bieringer, Mario; Hazendonk, Paul; Gerken, Michael","The structure of trimethyltin fluoride.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19651","19658","10.1039/c5dt01994j","","","0.71073","MoKα","","0.0469","0.0423","","","0.113","0.1155","","","","","","1.153","","","","has coordinates","171164","2020-10-21","18:00:00",""
"7036132","4.3304","0.0004","12.667","0.0013","10.574","0.0011","90","","90","","90","","580.02","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","Trimethyltin fluoride","","- C3 H9 F Sn -","- C3 H9 F Sn -","- C12 H36 F4 Sn4 -","4","0.25","","Chaudhary, Praveen; Bieringer, Mario; Hazendonk, Paul; Gerken, Michael","The structure of trimethyltin fluoride.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19651","19658","10.1039/c5dt01994j","","","0.71073","MoKα","","0.0206","0.0206","","","0.059","0.059","","","","","","1.322","","","","has coordinates","171164","2020-10-21","18:00:00",""
"7036142","13.5173","0.0009","20.6494","0.0013","20.9242","0.0014","102.854","0.006","97.805","0.005","90.954","0.005","5634.7","0.7","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","IrppyL1","Iridium bisphenylpyridine bi-hexyl-5-fluorenyl- 1,10-phenanthroline hexafluorophosphate","","- C59 H56 F6 Ir N4 P -","- C59 H56 F6 Ir N4 P -","- C236 H224 F24 Ir4 N16 P4 -","4","2","","Boreham, Elizabeth M.; Jones, Lucy; Swinburne, Adam N.; Blanchard-Desce, Mireille; Hugues, Vincent; Terryn, Christine; Miomandre, Fabien; Lemercier, Gilles; Natrajan, Louise S.","A cyclometallated fluorenyl Ir(iii) complex as a potential sensitiser for two-photon excited photodynamic therapy (2PE-PDT).","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16127","16135","10.1039/c5dt01855b","","x-ray","1.54184","CuKα","","0.1534","0.1099","","","0.2557","0.2906","","","","","","1.054","","","","has coordinates,has disorder","161481","2020-10-21","18:00:00",""
"7036143","12.18","0.004","9.051","0.003","15.766","0.004","90","","110.68","0.03","90","","1626.1","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H51 N9 -","- C36 H51 N9 -","- C72 H102 N18 -","2","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","1.5418","CuKα","","0.0986","0.052","","","0.0742","0.083","","","","","","0.849","","","","has coordinates","161528","2020-10-21","18:00:00",""
"7036144","16.139","0.003","18.968","0.006","46.829","0.012","90","","90","","90","","14336","6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C39 H57.9 N13.5 O10.2 Pr -","- C39.068 H55.602 N13.534 O10.1667 Pr -","- C468.816 H667.224 N162.408 O122 Pr12 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.0699","0.0539","","","0.1454","0.1569","","","","","","1.053","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036145","16.089","0.004","19.277","0.005","46.964","0.012","90","","90","","90","","14566","6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40.4 H58.6 Eu N14.2 O9.5 -","- C40.488 H57.732 Eu N14.244 O9.5 -","- C485.856 H692.784 Eu12 N170.928 O114 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.072","0.0633","","","0.1491","0.1533","","","","","","1.155","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036146","16.021","0.004","19.178","0.006","47.202","0.015","90","","90","","90","","14503","7","122","2","122","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C39.2 H56.8 N13.6 O9.5 Yb -","- C39.1333 H55.7 N13.4993 O9.298 Yb -","- C469.6 H668.4 N161.992 O111.576 Yb12 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.064","0.0573","","","0.139","0.1437","","","","","","1.119","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036147","12.221","0.003","15.222","0.003","22.433","0.005","90","","90","","90","","4173.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39.2 H55.8 N12.6 O6 Pb -","- C39.166 H55.749 N12.583 O6 Pb -","- C156.664 H222.996 N50.332 O24 Pb4 -","4","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.041","0.0316","","","0.0528","0.0559","","","","","","1.021","","","","has coordinates,has disorder","161528","2020-10-21","18:00:00",""
"7036148","12.389","0.003","15.22","0.003","22.064","0.005","90","","90","","90","","4160.4","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H59 N11 O10 Pb -","- C36 H59 N11 O10 Pb -","- C144 H236 N44 O40 Pb4 -","4","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.0256","0.0245","","","0.0548","0.0551","","","","","","1.115","","","","has coordinates","161528","2020-10-21","18:00:00",""
"7036149","16.0641","0.0004","21.0442","0.0005","22.9542","0.0016","90","","107.834","0.008","90","","7386.9","0.7","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C62 H92 B Cu2 F4 N10 O10 -","- C62 H92 B Cu2 F4 N10 O10 -","- C248 H368 B4 Cu8 F16 N40 O40 -","4","1","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54187","CuKα","","0.1255","0.0866","","","0.2517","0.2806","","","","","","1.045","","","","has coordinates,has disorder","161419","2020-10-21","18:00:00",""
"7036150","15.4887","0.0003","28.5296","0.0005","17.2548","0.0012","90","","97.39","0.007","90","","7561.3","0.6","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59.33 H90.67 Br2 Cu2 N8 O11 S1.17 -","- C59.3334 H90.6668 Br2 Cu2 N8 O11 S1.1667 -","- C237.334 H362.667 Br8 Cu8 N32 O44 S4.6668 -","4","1","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54178","CuKα","","0.1012","0.078","","","0.2117","0.2424","","","","","","0.955","","","","has coordinates,has disorder","161419","2020-10-21","18:00:00",""
"7036151","17.433","0.005","28.692","0.004","18.949","0.003","90","","90.051","0.005","90","","9478","3","163","","163","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H98 B2 Cu3 F14 N15 O13 P -","- C81 H98 B2 Cu3 F14 N15 O13 P -","- C324 H392 B8 Cu12 F56 N60 O52 P4 -","4","1","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54178","CuKα","","0.1003","0.0863","","","0.253","0.27","","","","","","1.1","","","","has coordinates,has disorder","161419","2020-10-21","18:00:00",""
"7036152","13.845","0.0003","16.2809","0.0003","20.9717","0.0015","93.011","0.007","100.424","0.007","101.741","0.007","4532.3","0.4","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C164 H204 B10 Cu4 F32 N16 O12.5 -","- C164 H204 B10 Cu4 F32 N16 O12.5 -","- C164 H204 B10 Cu4 F32 N16 O12.5 -","1","0.5","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54178","CuKα","","0.1122","0.0929","","","0.2686","0.2942","","","","","","1.1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036153","19.1144","0.0004","24.4307","0.0004","19.1882","0.0014","90","","93.644","0.007","90","","8942.4","0.7","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H103 Br4 Cu2 N8 O6 -","- C82 H103 Br4 Cu2 N8 O6 -","- C328 H412 Br16 Cu8 N32 O24 -","4","1","","De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.","Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15949","15959","10.1039/c5dt02551f","","","1.54178","CuKα","","0.0797","0.0687","","","0.2004","0.2171","","","","","","1.085","","","","has coordinates,has disorder","161419","2020-10-21","18:00:00",""
"7036154","9.8464","0.0004","10.2634","0.0004","11.5535","0.0004","99.16","0.002","100.815","0.002","115.949","0.002","991.98","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs5 H15 Nb O39.5 W9 -","- Cs5 Nb O39.5 W9 -","- Cs5 Nb O39.5 W9 -","1","0.5","","Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.","Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15813","15822","10.1039/c5dt02290h","","","0.71073","MoKα","","0.0561","0.0365","","","0.069","0.076","","","","","","1.021","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036155","9.798","0.006","10.273","0.006","11.322","0.007","92.172","0.009","101.597","0.009","115.836","0.007","994.5","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs6 H12 O38 Ta2 W8 -","- Cs6 O38 Ta2 W8 -","- Cs6 O38 Ta2 W8 -","1","0.5","","Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.","Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15813","15822","10.1039/c5dt02290h","","","0.71073","MoKα","","0.0938","0.0502","","","0.0912","0.1087","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036156","9.783","0.003","10.175","0.003","11.464","0.003","99.025","0.005","100.999","0.005","115.804","0.006","970.6","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- Cs5 H13 O38.5 Ta W9 -","- Cs5 O38.5 Ta1.04 W9.04 -","- Cs5 O38.5 Ta1.04 W9.04 -","1","0.5","","Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.","Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15813","15822","10.1039/c5dt02290h","","","0.71073","MoKα","","0.048","0.0322","","","0.0698","0.0756","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036157","9.3948","0.0003","9.3948","0.0003","28.2796","0.0011","90","","90","","120","","2161.62","0.13","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Cs4 H12 Na O25 Ta3 W3 -","- Cs4 Na O25 Ta3 W3 -","- Cs12 Na3 O75 Ta9 W9 -","3","0.166667","","Molina, P. I.; Sures, D. J.; Miró, P; Zakharov, L. N.; Nyman, M.","Bridging the opposite chemistries of tantalum and tungsten polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15813","15822","10.1039/c5dt02290h","","","0.71073","MoKα","","0.0423","0.0342","","","0.0849","0.088","","","","","","1.116","","","","has coordinates","161434","2020-10-21","18:00:00",""
"7036158","10.8906","0.0003","11.9745","0.0003","16.681","0.0008","90","","90","","90","","2175.36","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 N P Pd -","- C20 H28 Cl2 N P Pd -","- C80 H112 Cl8 N4 P4 Pd4 -","4","1","","Császár, Z; Farkas, G.; Bényei, A; Lendvay, G.; Tóth, I; Bakos, J.","Stereoselective coordination: a six-membered P,N-chelate tailored for asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16352","16360","10.1039/c5dt02750k","","","0.71073","MoKα","","0.0578","0.048","","","","0.1117","","","","","","1.2","","","","has coordinates","161597","2020-10-21","18:00:00",""
"7036159","8.6185","0.0017","10.683","0.002","11.709","0.002","73.176","0.003","81.737","0.003","86.247","0.003","1020.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Mn2 N2 O8 Si2 -","- C42 H36 Mn2 N2 O8 Si2 -","- C42 H36 Mn2 N2 O8 Si2 -","1","0.5","","Gupta, Vijay; Khullar, Sadhika; Kumar, Sandeep; Mandal, Sanjay K.","Construction of a robust pillared-layer framework based on the rare paddlewheel subunit [Mn(μ-O2CR)4L2]: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16778","16784","10.1039/c5dt02354h","","","0.71073","MoKα","","0.1167","0.0733","","","0.1745","0.2009","","","","","","0.987","","","","has coordinates","171103","2020-10-21","18:00:00",""
"7036160","8.532","0.012","10.794","0.015","11.375","0.016","73.267","0.016","82.708","0.016","87.105","0.018","995","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Mn2 N2 O8 Si2 -","- C42 H36 Mn2 N2 O8 Si2 -","- C42 H36 Mn2 N2 O8 Si2 -","1","0.5","","Gupta, Vijay; Khullar, Sadhika; Kumar, Sandeep; Mandal, Sanjay K.","Construction of a robust pillared-layer framework based on the rare paddlewheel subunit [Mn(μ-O2CR)4L2]: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16778","16784","10.1039/c5dt02354h","","","0.71073","MoKα","","0.1679","0.0903","","","0.2182","0.2625","","","","","","1.023","","","","has coordinates","171103","2020-10-21","18:00:00",""
"7036161","8.9475","0.0004","16.3934","0.0011","20.8167","0.0017","90","","90","","90","","3053.4","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Cl3 Fe N4 O5 -","- C24 H33 Cl3 Fe N4 O5 -","- C96 H132 Cl12 Fe4 N16 O20 -","4","1","","Kovačević, Monika; Kodrin, Ivan; Cetina, Mario; Kmetič, Ivana; Murati, Teuta; Semenčić, Mojca Čakić; Roca, Sunčica; Barišić, Lidija","The conjugates of ferrocene-1,1'-diamine and amino acids. A novel synthetic approach and conformational analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16405","16420","10.1039/c5dt01610j","","","0.71073","MoKα","","0.1007","0.063","","","0.155","0.1803","","","","","","0.982","","","","has coordinates","161617","2020-10-21","18:00:00",""
"7036162","21.0177","0.0004","6.3206","0.0001","26.883","0.0007","90","","129.6","0.001","90","","2751.7","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 As Cu Mn N4 S4 -","- C4 H16 As Cu Mn N4 S4 -","- C32 H128 As8 Cu8 Mn8 N32 S32 -","8","2","","Zhou, Jian; Tan, Xiao-Feng; Liu, Xing; Qing, Miao; Zhao, Rong-Qing; Tang, Qiuling","A series of new manganese thioarsenates(v) based on different unsaturated [Mn(amine)x](2+) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16430","16438","10.1039/c5dt02910d","","","0.71073","MoKα","","0.0418","0.0348","","","0.0718","0.0768","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036163","7.859","0.0006","8.7085","0.0004","14.4057","0.0008","83.59","0.004","76.516","0.005","75.588","0.005","927.07","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H52 As2 Mn3 N12 S8 -","- C16 H52 As2 Mn3 N12 S8 -","- C16 H52 As2 Mn3 N12 S8 -","1","0.5","","Zhou, Jian; Tan, Xiao-Feng; Liu, Xing; Qing, Miao; Zhao, Rong-Qing; Tang, Qiuling","A series of new manganese thioarsenates(v) based on different unsaturated [Mn(amine)x](2+) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16430","16438","10.1039/c5dt02910d","","","0.71073","MoKα","","0.037","0.0303","","","0.0677","0.0726","","","","","","1.062","","","","has coordinates,has disorder","161552","2020-10-21","18:00:00",""
"7036164","7.7381","0.0009","10.6536","0.0011","17.7897","0.0019","90","","90","","90","","1466.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 As Mn N4 S4 -","- C6 H19 As Mn N4 S4 -","- C24 H76 As4 Mn4 N16 S16 -","4","1","","Zhou, Jian; Tan, Xiao-Feng; Liu, Xing; Qing, Miao; Zhao, Rong-Qing; Tang, Qiuling","A series of new manganese thioarsenates(v) based on different unsaturated [Mn(amine)x](2+) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16430","16438","10.1039/c5dt02910d","","","0.71073","MoKα","","0.0378","0.0329","","","0.0702","0.0739","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036165","6.9676","0.0003","10.4718","0.0008","10.9346","0.0008","86.491","0.006","87","0.005","87.148","0.005","794.37","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 As2 Mn3 N8 S8 -","- C12 H40 As2 Mn3 N8 S8 -","- C12 H40 As2 Mn3 N8 S8 -","1","0.5","","Zhou, Jian; Tan, Xiao-Feng; Liu, Xing; Qing, Miao; Zhao, Rong-Qing; Tang, Qiuling","A series of new manganese thioarsenates(v) based on different unsaturated [Mn(amine)x](2+) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16430","16438","10.1039/c5dt02910d","","","0.71073","MoKα","","0.0391","0.0351","","","0.0873","0.0908","","","","","","1.067","","","","has coordinates","161552","2020-10-21","18:00:00",""
"7036166","29.0531","0.0007","21.5787","0.001","20.9114","0.0006","90","","90","","90","","13109.9","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70.5 H95 N4 O4 Zn2 -","- C70.5 H95 N4 O4 Zn2 -","- C564 H760 N32 O32 Zn16 -","8","1","","Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai","Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16383","16391","10.1039/c5dt01784j","","","0.7107","MoKα","","0.1105","0.0688","","","0.1631","0.2034","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036167","16.7376","0.0004","20.2012","0.0006","17.7913","0.0004","90","","96.569","0.002","90","","5976.1","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 Mg2 N4 O5 -","- C61 H90 Mg2 N4 O5 -","- C244 H360 Mg8 N16 O20 -","4","1","","Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai","Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16383","16391","10.1039/c5dt01784j","","","1.5418","CuKα","","0.0684","0.0606","","","0.1648","0.1755","","","","","","1.042","","","","has coordinates","161623","2020-10-21","18:00:00",""
"7036168","29.2813","0.0009","21.6214","0.0008","20.7411","0.0006","90","","90","","90","","13131.2","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C67.5 H92 Mg2 N4 O4 -","- C67.5 H92 Mg2 N4 O4 -","- C540 H736 Mg16 N32 O32 -","8","1","","Sun, Yangyang; Cui, Yaqin; Xiong, Jiao; Dai, Zhongran; Tang, Ning; Wu, Jincai","Different mechanisms at different temperatures for the ring-opening polymerization of lactide catalyzed by binuclear magnesium and zinc alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16383","16391","10.1039/c5dt01784j","","","0.71073","MoKα","","0.1117","0.0785","","","0.209","0.2374","","","","","","1.097","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036169","13.723","0.0006","13.9629","0.0006","14.3365","0.0006","61.891","0.001","82.993","0.001","63.876","0.001","2162.81","0.16","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H43 Ag6 N16 O44 P S4 W12 -","- C54 H40 Ag6 N16 O44 P S4 W12 -","- C54 H40 Ag6 N16 O44 P S4 W12 -","1","0.5","","Tian, Aixiang; Ning, Yali; Yang, Yang; Hou, Xue; Ying, Jun; Liu, Guocheng; Zhang, Juwen; Wang, Xiuli","Three new POM-based compounds constructed by rigid thiabendazole and flexible bis(pyrazole) ligands: structures and properties for Hg(2+) recognition.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16486","16493","10.1039/c5dt02420j","","","0.71073","MoKα","","0.0666","0.0493","","","0.1064","0.1131","","","","","","1.078","","","","has coordinates","161542","2020-10-21","18:00:00",""
"7036170","12.8317","0.0006","12.8788","0.0006","19.4273","0.0009","80.681","0.001","89.792","0.001","78.586","0.001","3104.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H49 Ag Mo12 N8 O47.5 P -","- C22 H32 Ag Mo12 N8 O40 P -","- C44 H64 Ag2 Mo24 N16 O80 P2 -","2","1","","Tian, Aixiang; Ning, Yali; Yang, Yang; Hou, Xue; Ying, Jun; Liu, Guocheng; Zhang, Juwen; Wang, Xiuli","Three new POM-based compounds constructed by rigid thiabendazole and flexible bis(pyrazole) ligands: structures and properties for Hg(2+) recognition.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16486","16493","10.1039/c5dt02420j","","","0.71073","MoKα","","0.0751","0.047","","","0.1205","0.1328","","","","","","1.021","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036171","14.7828","0.0006","18.2643","0.0008","14.7157","0.0006","90","","110.383","0.001","90","","3724.4","0.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 Ag4 Mo12 N14 O42 P S2 -","- C42 H48 Ag4 Mo12 N14 O42 P S2 -","- C84 H96 Ag8 Mo24 N28 O84 P2 S4 -","2","0.5","","Tian, Aixiang; Ning, Yali; Yang, Yang; Hou, Xue; Ying, Jun; Liu, Guocheng; Zhang, Juwen; Wang, Xiuli","Three new POM-based compounds constructed by rigid thiabendazole and flexible bis(pyrazole) ligands: structures and properties for Hg(2+) recognition.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16486","16493","10.1039/c5dt02420j","","","0.71073","MoKα","","0.0655","0.0442","","","0.1073","0.1191","","","","","","1.037","","","","has coordinates","161542","2020-10-21","18:00:00",""
"7036172","9.1515","0.0007","11.4521","0.0009","12.1239","0.0009","75.583","0.003","71.623","0.003","87.992","0.003","1166.55","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","CNC-Ni","CNC-Ni","","- C17 H16 F6 N6 Ni O6 S2 -","- C17 H16 F6 N6 Ni O6 S2 -","- C34 H32 F12 N12 Ni2 O12 S4 -","2","1","","Sheng, Meili; Jiang, Nan; Gustafson, Samantha; You, Bo; Ess, Daniel H.; Sun, Yujie","A nickel complex with a biscarbene pincer-type ligand shows high electrocatalytic reduction of CO2 over H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16247","16250","10.1039/c5dt02916c","","","0.71073","MoKα","","0.0377","0.03","","","0.0777","0.0807","","","","","","1.089","","","","has coordinates","161562","2020-10-21","18:00:00",""
"7036173","32.99","0.008","16.515","0.004","15.788","0.004","90","","99.572","0.005","90","","8482","4","90","0.1","90","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C41.13 H31.25 B Cl3.63 F4 Ir N7 O S2 -","- C41.103 H31.206 B Cl3.603 F4 Ir N7 O S2 -","- C328.824 H249.648 B8 Cl28.824 F32 Ir8 N56 O8 S16 -","8","1","","Howarth, Ashlee J.; Majewski, Marek B.; Brown, Christopher M.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Emissive Ir(iii) complexes bearing thienylamido groups on a 1,10-phenanthroline scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16272","16279","10.1039/c5dt02691a","","","0.71073","MoKα","","0.0977","0.0525","","","0.1105","0.1287","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036174","26.311","0.003","16.555","0.002","16.918","0.002","90","","96.839","0.007","90","","7316.7","1.5","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C36.75 H28.75 Cl F6 Ir N7 O P S -","- C36.704 H28.808 Cl1.009 F6 Ir N7 O P S -","- C293.632 H230.464 Cl8.072 F48 Ir8 N56 O8 P8 S8 -","8","1","","Howarth, Ashlee J.; Majewski, Marek B.; Brown, Christopher M.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Emissive Ir(iii) complexes bearing thienylamido groups on a 1,10-phenanthroline scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16272","16279","10.1039/c5dt02691a","","","0.71073","MoKα","","0.0806","0.0491","","","0.1102","0.1299","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036175","14.953","0.005","22.622","0.007","18.916","0.006","90","","95.823","0.006","90","","6366","4","90","2","90.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H50 Cl6 F12 Ir2 N12 P2 -","- C60 H44 F11.9997 Ir2 N12 P2 -","- C240 H176 F47.9988 Ir8 N48 P8 -","4","1","","Howarth, Ashlee J.; Majewski, Marek B.; Brown, Christopher M.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Emissive Ir(iii) complexes bearing thienylamido groups on a 1,10-phenanthroline scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16272","16279","10.1039/c5dt02691a","","x-ray","0.71073","MoKα","","0.0967","0.0604","","","0.1305","0.1485","","","","","","1.237","","","","has coordinates,has disorder","161588","2020-10-21","18:00:00",""
"7036176","10.137","0.002","15.017","0.003","11.422","0.003","90","","99.441","0.002","90","","1715.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bi-BTC","","","- C17 H25 Bi N O10 -","- C12 H10 Bi N O7 -","- C48 H40 Bi4 N4 O28 -","4","1","","Wang, Guanzhi; Liu, Yuanyuan; Huang, Baibiao; Qin, Xiaoyan; Zhang, Xiaoyang; Dai, Ying","A novel metal-organic framework based on bismuth and trimesic acid: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16238","16241","10.1039/c5dt03111g","","","0.71073","MoKα","","0.0618","0.0485","","","0.147","0.1592","","","","","","0.871","","","","has coordinates","161537","2020-10-21","18:00:00",""
"7036177","22.658","0.002","14.6316","0.0016","13.4069","0.0014","90","","90","","90","","4444.7","0.8","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O10 W2 -","- C20 H8 N2 O10 W2 -","- C160 H64 N16 O80 W16 -","8","1","","Yorsaeng, Sakkawet; Tsutsumi, Ken; Kitiyanan, Boonyarach; Nomura, Kotohiro","Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16728","16736","10.1039/c5dt02726h","","","0.71075","MoKα","","0.0143","0.012","","","0.0288","0.0292","","","","","","1.143","","","","has coordinates","171105","2020-10-21","18:00:00",""
"7036178","7.7881","0.0014","28.597","0.005","13.292","0.002","90","","101.79","0.005","90","","2897.9","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H64 N2 O14 Si2 W2 -","- C52 H64 N2 O14 Si2 W2 -","- C104 H128 N4 O28 Si4 W4 -","2","1","","Yorsaeng, Sakkawet; Tsutsumi, Ken; Kitiyanan, Boonyarach; Nomura, Kotohiro","Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16728","16736","10.1039/c5dt02726h","","","0.71075","MoKα","","0.0391","0.0362","","","0.0882","0.0891","","","","","","0.851","","","","has coordinates","171105","2020-10-21","18:00:00",""
"7036179","15.2723","0.001","17.98","0.0013","23.72","0.002","79.707","0.005","83.506","0.006","74.287","0.005","6154.7","0.8","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C224 H344 N4 O44 Si12 W4 -","- C224 H344 N4 O44 Si12 W4 -","- C224 H344 N4 O44 Si12 W4 -","1","0.5","","Yorsaeng, Sakkawet; Tsutsumi, Ken; Kitiyanan, Boonyarach; Nomura, Kotohiro","Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16728","16736","10.1039/c5dt02726h","","","0.71075","MoKα","","0.1303","0.0893","","","0.2453","0.2643","","","","","","1.086","","","","has coordinates,has disorder","171105","2020-10-21","18:00:00",""
"7036180","10.9858","0.0003","15.3568","0.0003","22.4969","0.0004","90","","90","","90","","3795.38","0.14","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H17 Cl N2 Pd -","- C22.5 H17 Cl N2 Pd -","- C180 H136 Cl8 N16 Pd8 -","8","1","","Nguyen, Bao N.; Adrio, Luis A.; Albrecht, Tim; White, Andrew J. P.; Newton, Mark A.; Nachtegaal, Maarten; Figueroa, Santiago J. A.; Hii, King Kuok Mimi","Electronic structures of cyclometalated palladium complexes in the higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16586","16591","10.1039/c5dt02104a","","","0.71073","MoKα","","0.0749","0.0566","","","0.1248","0.1282","","","","","","1.286","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036181","9.26266","0.00013","12.174","0.0003","16.6694","0.0003","85.14","0.0019","87.1778","0.0014","70.4519","0.0019","1764.55","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl9 N2 O4 Pd -","- C29 H25 Cl9 N2 O4 Pd -","- C58 H50 Cl18 N4 O8 Pd2 -","2","1","","Nguyen, Bao N.; Adrio, Luis A.; Albrecht, Tim; White, Andrew J. P.; Newton, Mark A.; Nachtegaal, Maarten; Figueroa, Santiago J. A.; Hii, King Kuok Mimi","Electronic structures of cyclometalated palladium complexes in the higher oxidation states.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16586","16591","10.1039/c5dt02104a","","","0.71073","MoKα","","0.0476","0.0355","","","0.0859","0.0882","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036182","17.4973","0.0008","9.579","0.0005","20.1652","0.001","90","","98.859","0.004","90","","3339.5","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2","","- C26 H29 F12 N7 O2 P2 Pd -","- C26 H29 F12 N7 O2 P2 Pd -","- C104 H116 F48 N28 O8 P8 Pd4 -","4","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","0.71073","MoKα","","0.0775","0.0572","","","0.1242","0.1374","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036183","7.3047","0.0009","11.7658","0.0011","31.2","0.003","90","","92.115","0.01","90","","2679.7","0.5","99.97","0.13","99.97","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3c","","- C45 H44 Br4 N16 O9 Pd2 -","- C45 H44 Br4 N16 O9 Pd2 -","- C90 H88 Br8 N32 O18 Pd4 -","2","0.5","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","0.71073","MoKα","","0.1272","0.0678","","","0.1184","0.1364","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036184","23.0939","0.0012","9.6206","0.0005","25.3916","0.0011","90","","112.426","0.005","90","","5214.8","0.5","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3a","","- C23 H26 Br2 N6 O Pd -","- C23 H26 Br2 N6 O Pd -","- C184 H208 Br16 N48 O8 Pd8 -","8","2","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","1.54184","CuKα","","0.135","0.0583","","","0.1148","0.1479","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036185","8.1157","0.0002","16.6921","0.0004","10.8193","0.0003","90","","98.625","0.003","90","","1449.09","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","1f","","- C15 H15 Br N4 -","- C15 H15 Br N4 -","- C60 H60 Br4 N16 -","4","2","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","0.71073","MoKα","","0.0417","0.0363","","","0.0765","0.079","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036186","8.1012","0.0003","10.9063","0.0004","16.9064","0.0007","96.373","0.003","98.659","0.003","97.265","0.003","1451.93","0.1","99.9","0.4","99.9","0.4","","","","","","","","6","P -1","-P 1","2","","7e","","- C24 H26 F12 N6 P2 Pd -","- C24 H26 F12 N6 P2 Pd -","- C48 H52 F24 N12 P4 Pd2 -","2","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","","0.71073","MoKα","","0.0521","0.0403","","","0.0835","0.0896","","","","","","1.047","","","","has coordinates","161461","2020-10-21","18:00:00",""
"7036187","13.509","0.0008","7.9393","0.0003","13.9341","0.0009","90","","108.376","0.006","90","","1418.25","0.14","120.01","0.11","120.01","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4d","","- C12 H13 Br2 N3 O Pd -","- C12 H13 Br2 N3 O Pd -","- C48 H52 Br8 N12 O4 Pd4 -","4","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","x-ray","0.71073","MoKα","","0.0828","0.0569","","","0.1154","0.128","","","","","","1.039","","","","has coordinates","161461","2020-10-21","18:00:00",""
"7036188","8.0821","0.0004","20.514","0.001","20.6555","0.0009","90","","96.704","0.004","90","","3401.2","0.3","119.99","0.13","119.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7f","","- C30 H28 F12 N8 P2 Pd -","- C30 H28 F12 N8 P2 Pd -","- C120 H112 F48 N32 P8 Pd4 -","4","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","x-ray","0.71073","MoKα","","0.1144","0.0731","","","0.1314","0.1464","","","","","","1.041","","","","has coordinates,has disorder","161461","2020-10-21","18:00:00",""
"7036189","11.9415","0.0009","16.7247","0.0009","16.7259","0.001","90","","102.857","0.006","90","","3256.7","0.4","120","0.13","120","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5c","","- C24 H23 F12 N9 O4 P2 Pd -","- C24 H23 F12 N9 O4 P2 Pd -","- C96 H92 F48 N36 O16 P8 Pd4 -","4","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","x-ray","0.71073","MoKα","","0.0711","0.0432","","","0.0765","0.0873","","","","","","1.043","","","","has coordinates","161461","2020-10-21","18:00:00",""
"7036190","7.9713","0.0007","9.1926","0.0008","9.815","0.0004","80.496","0.005","79.638","0.006","87.116","0.007","697.62","0.09","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","4b","","- C12 H13 Br2 N3 Pd -","- C12 H13 Br2 N3 Pd -","- C24 H26 Br4 N6 Pd2 -","2","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","x-ray","0.71073","MoKα","","0.0435","0.033","","","0.0732","0.0778","","","","","","1.029","","","","has coordinates","161461","2020-10-21","18:00:00",""
"7036191","30.37","0.004","12.201","0.0019","18.606","0.002","90","","107.066","0.014","90","","6590.8","1.6","120","0.2","120","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","6f","","- C32 H32 Br2 N8 O Pd S -","- C32 H32 Br2 N8 O Pd S -","- C256 H256 Br16 N64 O8 Pd8 S8 -","8","1","","Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E.","Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15938","15948","10.1039/c5dt02194d","","x-ray","0.71073","MoKα","","0.1442","0.0803","","","0.1602","0.1898","","","","","","1.017","","","","has coordinates,has disorder","161461","2020-10-21","18:00:00",""
"7036192","11.712","0.002","14.126","0.003","14.8","0.003","87.32","0.03","73.78","0.03","71.01","0.03","2220.5","0.9","168.15","","168.15","","","","","","","","","7","P -1","-P 1","2","","[Cu2(dmise)5](BF4)2","","- C27 H43 B2 Cu2 F8 N11 Se5 -","- C27 H43 B2 Cu2 F8 N11 Se5 -","- C54 H86 B4 Cu4 F16 N22 Se10 -","2","1","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","x-ray","0.71073","MoKα","","0.0616","0.0461","","","0.1144","0.1285","","","","","","1.119","","","","has coordinates","161627","2020-10-21","18:00:00",""
"7036193","14.997","0.007","15.362","0.007","17.487","0.008","90","","90","","90","","4029","3","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[Cu2(BmmMe)3](BF4)2","","- C27 H36 B2 Cu2 F8 N12 S6 -","- C27 H36 B2 Cu2 F8 N12 S6 -","- C108 H144 B8 Cu8 F32 N48 S24 -","4","1","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","","0.71073","MoKα","","0.0682","0.0527","","","0.1267","0.1371","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036194","11.972","0.002","14.325","0.003","15.568","0.003","89.59","0.02","77.29","0.03","68.69","0.03","2418.6","1","168.15","","168.15","","","","","","","","","7","P -1","-P 1","2","","[Cu2(BsemMe)3](BF4)2","","- C29 H39 B2 Cu2 F8 N13 Se6 -","- C29 H39 B2 Cu2 F8 N13 Se6 -","- C58 H78 B4 Cu4 F16 N26 Se12 -","2","1","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","x-ray","0.71073","MoKα","","0.0666","0.047","","","0.1167","0.1276","","","","","","1.062","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7036195","10.37","0.002","10.7","0.002","10.81","0.002","98.29","0.03","116.81","0.03","91.25","0.03","1054.2","0.5","168.15","","168.15","","","","","","","","","7","P -1","-P 1","2","","[Cu2(BmeMe)3](BF4)2","","- C30 H42 B2 Cu2 F8 N12 S6 -","- C30 H42 B2 Cu2 F8 N12 S6 -","- C30 H42 B2 Cu2 F8 N12 S6 -","1","0.5","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","x-ray","0.71073","MoKα","","0.0813","0.0552","","","0.1349","0.1564","","","","","","1.048","","","","has coordinates","161627","2020-10-21","18:00:00",""
"7036196","8.1987","0.0016","11.198","0.002","12.935","0.003","65.68","0.03","84.17","0.03","77.75","0.03","1057.4","0.5","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","[(dmit)Cu(μ-BsemMe)2Cu(dmit)](BF4)2","","- C28 H40 B2 Cu2 F8 N12 S2 Se4 -","- C28 H40 B2 Cu2 F8 N12 S2 Se4 -","- C28 H40 B2 Cu2 F8 N12 S2 Se4 -","1","0.5","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","x-ray","0.71073","MoKα","","0.0658","0.0455","","","0.1049","0.1182","","","","","","1.1","","","","has coordinates","161627","2020-10-21","18:00:00",""
"7036197","8.1868","0.0016","11.247","0.002","12.904","0.003","66.67","0.03","84.64","0.03","77.72","0.03","1066","0.5","168.15","","168.15","","","","","","","","","7","P -1","-P 1","2","","[(dmise)Cu(μ-BsemMe)2Cu(dmise)](BF4)2","","- C28 H40 B2 Cu2 F8 N12 Se6 -","- C28 H40 B2 Cu2 F8 N12 Se6 -","- C28 H40 B2 Cu2 F8 N12 Se6 -","1","0.5","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","x-ray","0.71073","MoKα","","0.0796","0.0503","","","0.112","0.1319","","","","","","1.093","","","","has coordinates","161627","2020-10-21","18:00:00",""
"7036198","9.4763","0.0019","27.97","0.006","7.8016","0.0016","90","","99.89","0.03","90","","2037.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(BmmMe)Cu(μ-dmit)]n(BF4)n","","- C28 H40 B2 Cu2 F8 N12 S6 -","- C28 H40 B2 Cu2 F8 N12 S6 -","- C56 H80 B4 Cu4 F16 N24 S12 -","2","0.5","","Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.","Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16313","16324","10.1039/c5dt02232k","","","0.71073","MoKα","","0.0591","0.044","","","0.0984","0.1074","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036199","10.3466","0.0004","13.6086","0.0006","14.4808","0.0006","71.819","0.001","73.414","0.0009","73.83","0.001","1815.93","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Cl4 N O P2 Ru -","- C38 H37 Cl4 N O P2 Ru -","- C76 H74 Cl8 N2 O2 P4 Ru2 -","2","1","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.0296","0.0228","","","0.051","0.0534","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036200","15.105","0.003","23.88","0.005","10.858","0.002","90","","100.75","0.03","90","","3847.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H43 Cl2 N P2 Ru S -","- C44 H43 Cl2 N P2 Ru S -","- C176 H172 Cl8 N4 P8 Ru4 S4 -","4","1","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.1025","0.0601","","","0.1081","0.1256","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036201","10.341","0.005","13.774","0.005","14.28","0.005","72.073","0.005","73.198","0.005","74.158","0.005","1814.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cl4 N2 P2 Ru -","- C38 H38 Cl4 N2 P2 Ru -","- C76 H76 Cl8 N4 P4 Ru2 -","2","1","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.0356","0.0276","","","0.0606","0.0636","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036202","16.0126","0.0008","12.492","0.0007","19.838","0.0011","90","","98.418","0.002","90","","3925.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cl3 N2 O P2 Ru -","- C40 H39 Cl3 N2 O P2 Ru -","- C160 H156 Cl12 N8 O4 P8 Ru4 -","4","1","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.05","0.0389","","","0.0881","0.0934","","","","","","1.1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036203","21.311","0.01","15.163","0.007","26.456","0.012","90","","111.72","0.05","90","","7942","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl N O2 P2 Ru -","- C45 H44 Cl N O2 P2 Ru -","- C360 H352 Cl8 N8 O16 P16 Ru8 -","8","2","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.0626","0.0383","","","0.0866","0.0965","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036204","16.2877","0.0007","16.7911","0.0008","17.6733","0.0009","73.121","0.002","77.846","0.002","61.946","0.001","4066.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46.75 H46 Cl N O P2 Ru S -","- C46.75 H46 Cl N O P2 Ru S -","- C187 H184 Cl4 N4 O4 P8 Ru4 S4 -","4","2","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.038","0.0282","","","0.0637","0.0689","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036205","13.265","0.005","14.176","0.005","25.386","0.005","88.754","0.005","80.401","0.005","75.564","0.005","4557","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H45 Cl N2 O P2 Ru -","- C45 H45 Cl N2 O P2 Ru -","- C180 H180 Cl4 N8 O4 P8 Ru4 -","4","2","","Xu, W.; Langer, R.","Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H2.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16785","16790","10.1039/c5dt02226f","","","0.71073","MoKα","","0.1551","0.0807","","","0.1625","0.1851","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036206","14.42698","0.00018","18","0.0002","10.28031","0.00015","90","","102.366","0.0013","90","","2607.72","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N2 O P -","- C31 H33 N2 O P -","- C124 H132 N8 O4 P4 -","4","1","","Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16465","16474","10.1039/c5dt02570b","","","0.71073","MoKα","","0.0509","0.0383","","","0.0961","0.1021","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036207","26.2291","0.0007","26.2291","0.0007","10.7386","0.0004","90","","90","","90","","7387.8","0.4","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C37 H47 Cl2 N2 O4 P Y -","- C37 H47 Cl2 N2 O4 P Y -","- C296 H376 Cl16 N16 O32 P8 Y8 -","8","1","","Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16465","16474","10.1039/c5dt02570b","","","0.71073","MoKα","","0.0458","0.0355","","","0.0788","0.0818","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036208","10.2426","0.0012","19.035","0.002","21.678","0.003","90","","95.195","0.002","90","","4209.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H62 Er N2 O2 P Si2 -","- C43 H62 Er N2 O2 P Si2 -","- C172 H248 Er4 N8 O8 P4 Si8 -","4","1","","Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16465","16474","10.1039/c5dt02570b","","","0.71073","MoKα","","0.0367","0.0309","","","0.0818","0.0851","","","","","","1.066","","","","has coordinates","161642","2020-10-21","18:00:00",""
"7036209","11.65759","0.00019","11.93192","0.00015","18.096","0.0003","74.6192","0.0012","72.6296","0.0014","63.0777","0.0014","2116.79","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H58 Lu N2 O P Si2 -","- C42.5 H58 Lu N2 O P Si2 -","- C85 H116 Lu2 N4 O2 P2 Si4 -","2","1","","Tolpygin, Aleksei O.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Aleksanyan, Diana V.; Cui, Dongmei; Trifonov, Alexander A.","Bis(alkyl) rare-earth complexes supported by a new tridentate amidinate ligand with a pendant diphenylphosphine oxide group. Synthesis, structures and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16465","16474","10.1039/c5dt02570b","","","0.71073","MoKα","","0.0297","0.0243","","","0.0504","0.0516","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036210","16.361","0.003","10.108","0.002","7.399","0.0015","90","","110.88","0.03","90","","1143.3","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H10 B F2 N3 -","- C13 H10 B F2 N3 -","- C52 H40 B4 F8 N12 -","4","1","","Umasekhar, Booruga; Ganapathi, Emandi; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, structure, and spectral, electrochemical and fluoride sensing properties of meso-pyrrolyl boron dipyrromethene.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16516","16527","10.1039/c5dt02634b","","","0.71073","MoKα","","0.0568","0.0452","","","0.1192","0.1237","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036211","8.531","0.004","9.714","0.004","15.674","0.006","90","","90","","90","","1298.9","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 B F2 N3 -","- C14 H12 B F2 N3 -","- C56 H48 B4 F8 N12 -","4","1","","Umasekhar, Booruga; Ganapathi, Emandi; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, structure, and spectral, electrochemical and fluoride sensing properties of meso-pyrrolyl boron dipyrromethene.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16516","16527","10.1039/c5dt02634b","","","0.7107","MoKα","","0.063","0.0543","","","0.1345","0.1452","","","","","","1.02","","","","has coordinates","161547","2020-10-21","18:00:00",""
"7036212","5.8353","0.0004","10.1489","0.0006","24.6603","0.0015","90","","90","","90","","1460.43","0.16","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N P S2 -","- C15 H14 N P S2 -","- C60 H56 N4 P4 S8 -","4","1","","Chen, Hsiao Wei; Andy Hor, T. S.; Pattacini, Roberto; Braunstein, Pierre","Unexpected synthesis of an Au2In2 tetrametallatricyclic complex from α-aminophosphines and formation of Au-In-P and Ag-In-P nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16242","16246","10.1039/c5dt02457a","","","0.71073","MoKα","","0.0424","0.0403","","","0.0973","0.0986","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036213","13.0061","0.0006","26.0157","0.0012","14.5344","0.0006","90","","91.434","0.001","90","","4916.4","0.4","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 Au2 F6 In2 O22 P6 S4 -","- C82 H80 Au2 F6 In2 O22 P6 S4 -","- C164 H160 Au4 F12 In4 O44 P12 S8 -","2","0.5","","Chen, Hsiao Wei; Andy Hor, T. S.; Pattacini, Roberto; Braunstein, Pierre","Unexpected synthesis of an Au2In2 tetrametallatricyclic complex from α-aminophosphines and formation of Au-In-P and Ag-In-P nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16242","16246","10.1039/c5dt02457a","","","0.71073","MoKα","","0.0587","0.0546","","","0.1442","0.1462","","","","","","1.217","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036214","26.2088","0.0006","26.2088","0.0006","48.2544","0.0011","90","","90","","120","","28705.3","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Tb2 -","- C84 H87 N27 O12 Tb2 -","- C1008 H1044 N324 O144 Tb24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","1.5418","CuKα","","0.0626","0.0416","","","0.1388","0.1553","","","","","","1.14","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036215","26.1377","0.0011","26.1377","0.0011","47.2565","0.0016","90","","90","","120","","27959.3","1.9","100","1","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Dy2 N27 O12 -","- C84 H87 Dy2 N27 O12 -","- C1008 H1044 Dy24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0892","0.042","","","0.0956","0.1064","","","","","","1.018","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036216","26.1368","0.001","26.1368","0.001","48.15","0.002","90","","90","","120","","28486","1.9","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Ho2 N27 O12 -","- C84 H87 Ho2 N27 O12 -","- C1008 H1044 Ho24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.1045","0.0408","","","0.0856","0.0975","","","","","","0.941","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036217","26.121","0.0005","26.121","0.0005","47.7029","0.0013","90","","90","","120","","28187.4","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Tm2 -","- C84 H87 N27 O12 Tm2 -","- C1008 H1044 N324 O144 Tm24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0752","0.0426","","","0.137","0.1583","","","","","","1.106","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036218","25.9543","0.0005","25.9543","0.0005","48.9988","0.0013","90","","90","","120","","28584.8","1.1","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 N27 O12 Yb2 -","- C84 H87 N27 O12 Yb2 -","- C1008 H1044 N324 O144 Yb24 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0845","0.0435","","","0.1009","0.1113","","","","","","1.432","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036219","26.11","0.0007","26.11","0.0007","48.0953","0.0013","90","","90","","120","","28395.3","1.3","100","1","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H87 Er2 N27 O12 -","- C84 H87 Er2 N27 O12 -","- C1008 H1044 Er24 N324 O144 -","12","0.333333","","Gorczyński, Adam; Kubicki, Maciej; Pinkowicz, Dawid; Pełka, Robert; Patroniak, Violetta; Podgajny, Robert","The first example of erbium triple-stranded helicates displaying SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16833","16839","10.1039/c5dt02554k","","","0.71073","MoKα","","0.0563","0.0392","","","0.1521","0.166","","","","","","1.286","","","","has coordinates","161121","2020-10-21","18:00:00",""
"7036220","10.5221","0.0008","14.8955","0.0011","18.5318","0.0013","84.795","0.002","83.722","0.002","74.537","0.002","2776.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H93 In O3 S6 -","- C44 H93 In O3 S6 -","- C88 H186 In2 O6 S12 -","2","1","","Barth, Sven; Biegger, Felix; Puchberger, Michael","Synthesis and characterisation of thioether functionalised gallium and indium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16439","16445","10.1039/c5dt02777b","","","0.71073","MoKα","","0.0603","0.0399","","","0.0899","0.1085","","","","","","1.126","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036221","10.9239","0.0016","12.8002","0.0018","17.47","0.004","108.527","0.004","97.665","0.004","108.69","0.002","2117.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Gallium tris[1-tert.-butylthio-3-(diethylamino)propan-2-olate]","","- C33 H72 Ga N3 O3 S3 -","- C33 H72 Ga N3 O3 S3 -","- C66 H144 Ga2 N6 O6 S6 -","2","1","","Barth, Sven; Biegger, Felix; Puchberger, Michael","Synthesis and characterisation of thioether functionalised gallium and indium alkoxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16439","16445","10.1039/c5dt02777b","","","0.71073","MoKα","","0.0618","0.0484","","","0.1365","0.1441","","","","","","1.045","","","","has coordinates","161568","2020-10-21","18:00:00",""
"7036222","10.154","0.004","10.283","0.004","18.591","0.008","94.16","0.009","101.027","0.009","110.97","0.008","1757.9","1.2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 N8 O14 Re2 S2 -","- C24.5 H20 N8 O13.5 Re2 S2 -","- C49 H40 N16 O27 Re4 S4 -","2","1","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.044","0.0284","","","0.0555","0.0602","","","","","","1.045","","","","has coordinates","161445","2020-10-21","18:00:00",""
"7036223","7.0954","0.0006","13.0042","0.001","25.104","0.002","90","","97.113","0.003","90","","2298.5","0.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N4 O6 Re S -","- C18 H18 Br N4 O6 Re S -","- C72 H72 Br4 N16 O24 Re4 S4 -","4","1","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0738","0.0587","","","0.1753","0.1954","","","","","","1.051","","","","has coordinates","161445","2020-10-21","18:00:00",""
"7036224","9.212","0.0008","41.834","0.004","9.7296","0.0009","90","","99.338","0.004","90","","3699.9","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 N8 O14 Re2 S2 -","- C26 H28 N8 O14 Re2 S2 -","- C104 H112 N32 O56 Re8 S8 -","4","2","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0395","0.0348","","","0.079","0.0815","","","","","","1.037","","","","has coordinates","161445","2020-10-21","18:00:00",""
"7036225","11.1341","0.0006","18.3725","0.001","11.6288","0.0006","90","","101.055","0.003","90","","2334.7","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br N4 O6 Re S -","- C18 H18 Br N4 O6 Re S -","- C72 H72 Br4 N16 O24 Re4 S4 -","4","1","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0736","0.0514","","","0.1215","0.1363","","","","","","1.004","","","","has coordinates,has disorder","161445","2020-10-21","18:00:00",""
"7036226","24.149","0.005","12.336","0.003","13.934","0.003","90","","111.929","0.003","90","","3850.6","1.5","100","2","99.65","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N8 O14 Re2 S2 -","- C32 H26 N8 O14 Re2 S2 -","- C128 H104 N32 O56 Re8 S8 -","4","0.5","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0566","0.0484","","","0.1383","0.1532","","","","","","1.019","","","","has coordinates","161445","2020-10-21","18:00:00",""
"7036227","7.5512","0.0007","10.6017","0.0009","12.8522","0.0012","94.519","0.005","97.975","0.005","90.201","0.004","1015.66","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C13.5 H12 Br N4 O6 Re S -","- C13.5 H12 Br N4 O6 Re S -","- C27 H24 Br2 N8 O12 Re2 S2 -","2","1","","Nayak, Dipak Kumar; Baishya, Rinku; Natarajan, Ramalingam; Sen, Tuhinadri; Debnath, Mita Chatterjee","Tricarbonyl (99m)Tc(i) and Re(i)-thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16136","16148","10.1039/c5dt02264a","","","0.71073","MoKα","","0.0519","0.0448","","","0.1189","0.1228","","","","","","1.111","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036228","38.9176","0.0016","10.0754","0.0005","21.8768","0.0008","90","","93.133","0.003","90","","8565.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 N5 O14 S2 Ti -","- C39 H51 N5 O14 S2 Ti -","- C312 H408 N40 O112 S16 Ti8 -","8","1","","Zhao, Tiankun; Grützke, Martin; Götz, Kathrin H; Druzhenko, Tetiana; Huhn, Thomas","Synthesis and X-ray structure analysis of cytotoxic heptacoordinate sulfonamide salan titanium(iv)-bis-chelates.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16475","16485","10.1039/c5dt01618e","","","0.71073","MoKα","","0.0689","0.0436","","","0.0835","0.0901","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036229","16.7824","0.0013","14.9183","0.0009","8.6437","0.0007","90","","91.497","0.006","90","","2163.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O6 Ti -","- C25 H25 N3 O6 Ti -","- C100 H100 N12 O24 Ti4 -","4","0.5","","Zhao, Tiankun; Grützke, Martin; Götz, Kathrin H; Druzhenko, Tetiana; Huhn, Thomas","Synthesis and X-ray structure analysis of cytotoxic heptacoordinate sulfonamide salan titanium(iv)-bis-chelates.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16475","16485","10.1039/c5dt01618e","","","0.71073","MoKα","","0.0449","0.0332","","","0.0893","0.0916","","","","","","1.043","","","","has coordinates","161602","2020-10-21","18:00:00",""
"7036230","8.4111","0.001","16.1321","0.0019","13.86","0.0017","90","","94.1658","0.0017","90","","1875.7","0.4","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1","","- C21 H19 Cl F4 Ir N -","- C21 H19 Cl F4 Ir N -","- C84 H76 Cl4 F16 Ir4 N4 -","4","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.024","","","","0.0532","","","","","","1.073","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036231","12.134","0.002","15.328","0.003","17.215","0.003","107.564","0.004","90.62","0.003","91.975","0.003","3050","0.9","93","","93","","","","","","","","","6","P -1","-P 1","2","","2a","","- C67 H41 B F28 Ir N -","- C67 H41 B F28 Ir N -","- C134 H82 B2 F56 Ir2 N2 -","2","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0586","","","","0.1238","","","","","","1.058","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036232","15.07","0.003","15.505","0.003","11.9747","0.0018","90","","104.628","0.002","90","","2707.3","0.9","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C35 H28 F4 Ir N -","- C35 H28 F4 Ir N -","- C140 H112 F16 Ir4 N4 -","4","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0333","","","","0.0669","","","","","","1.11","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036233","13.6103","0.0014","14.1674","0.0017","17.5443","0.0019","88.498","0.004","73.243","0.004","79.69","0.003","3185.8","0.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","4c","","- C67 H39 B Cl2 F28 Ir N -","- C67 H39 B Cl2 F28 Ir N -","- C134 H78 B2 Cl4 F56 Ir2 N2 -","2","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0442","","","","0.1078","","","","","","1.046","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036234","15.42","0.002","13.0283","0.0015","16.333","0.002","90","","109.541","0.0019","90","","3092.2","0.7","93","","93","","","","","","","","","7","P 1 n 1","P -2yac","7","","7","","- C68 H41 B F28 Ir N O -","- C68 H41 B F28 Ir N O -","- C136 H82 B2 F56 Ir2 N2 O2 -","2","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0668","","","","0.1917","","","","","","1.033","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036235","12.8783","0.0014","27.452","0.003","18.947","0.002","90","","102.694","0.0016","90","","6534.7","1.2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","8","","- C68 H41 B F28 Ir N O -","- C68 H41 B F28 Ir N O -","- C272 H164 B4 F112 Ir4 N4 O4 -","4","1","","Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi","Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17448","17452","10.1039/c5dt02207j","","","0.71075","MoKα","","","0.0473","","","","0.1125","","","","","","1.072","","","","has coordinates","161904","2020-10-21","18:00:00",""
"7036236","13.9508","0.0019","13.9508","0.0019","22.402","0.007","90","0.01","90","0.009","120","0.008","3775.9","1.4","195","2","195","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Compound1","","- C18 H6 In3 N0.5 O23.5 -","- C18 H6 In3 N0.5 O23.5 -","- C54 H18 In9 N1.5 O70.5 -","3","0.166667","","Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun","Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16671","16674","10.1039/c5dt02861b","","","0.71073","MoKα","","0.0471","0.0464","","","0.1323","0.1331","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036237","9.746","0.0004","9.746","0.0004","31.081","0.002","90","","90","","90","","2952.2","0.3","195","2","195","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Compound2","","- C14.08 H15.28 In N1.04 O10 -","- C14.08 H12.28 In N1.04 O10 -","- C56.32 H49.12 In4 N4.16 O40 -","4","0.125","","Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun","Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16671","16674","10.1039/c5dt02861b","","","0.71073","MoKα","","0.0461","0.0445","","","0.1263","0.1285","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036238","10.7435","0.0006","21.4819","0.0012","10.7721","0.0007","90","","105.113","0.001","90","","2400.1","0.2","195","2","195","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Compound3","","- C12 H4 In2 O13 -","- C12 H4 In2 O13 -","- C48 H16 In8 O52 -","4","1","","Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun","Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16671","16674","10.1039/c5dt02861b","","","0.71073","MoKα","","0.0376","0.0279","","","0.0774","0.0804","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036239","14.226","0.003","17.792","0.004","6.762","0.0013","90","","90","","90","","1711.5","0.6","140","1","140","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H30 O Sn -","- C17 H30 O Sn -","- C68 H120 O4 Sn4 -","4","0.5","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.0139","0.0132","","","0.034","0.0344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036240","19.588","0.006","6.6588","0.0019","13.866","0.004","90","","113.618","0.003","90","","1657.1","0.8","140","1","140","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H26 O Sn -","- C15 H26 O Sn -","- C60 H104 O4 Sn4 -","4","1","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.0306","0.0286","","","0.07","0.0719","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036241","6.0759","0.0019","18.516","0.006","10.153","0.003","90","","105.675","0.003","90","","1099.7","0.6","140","1","140","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H39 N Sn -","- C21 H39 N Sn -","- C42 H78 N2 Sn2 -","2","1","","Lichtscheidl, Alejandro G.; Janicke, Michael T.; Scott, Brian L.; Nelson, Andrew T.; Kiplinger, Jaqueline L.","Syntheses, structures, and (1)H, (13)C{(1)H} and (119)Sn{(1)H} NMR chemical shifts of a family of trimethyltin alkoxide, amide, halide and cyclopentadienyl compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16156","16163","10.1039/c5dt01980j","","","0.71073","MoKα","","0.018","0.0173","","","0.0408","0.0412","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036247","10.495","0.002","11.085","0.002","21.361","0.004","83.314","0.01","77.451","0.008","79.135","0.01","2374.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 B F24 Na O6 -","- C44 H36 B F24 Na O6 -","- C88 H72 B2 F48 Na2 O12 -","2","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1494","0.0992","","","0.2603","0.3027","","","","","","1.064","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036248","12.753","0.003","22.349","0.005","17.45","0.004","90","","95.618","0.004","90","","4950","2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H36 B F24 Li O4 S2 -","- C44 H36 B F24 Li O4 S2 -","- C176 H144 B4 F96 Li4 O16 S8 -","4","2","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1027","0.0686","","","0.1651","0.1882","","","","","","1.022","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036249","12.682","0.003","22.573","0.005","17.452","0.004","90","","97.46","0.003","90","","4954","2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C44 H36 B F24 Na O4 S2 -","- C44 H36 B F24 Na O4 S2 -","- C176 H144 B4 F96 Na4 O16 S8 -","4","2","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0508","0.0424","","","0.0962","0.1016","","","","","","1.015","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036250","16.9189","0.0012","13.6483","0.001","44.153","0.003","90","","97.662","0.001","90","","10104.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 B2 F48 K2 O8 S4 -","- C88 H72 B2 F48 K2 O8 S4 -","- C352 H288 B8 F192 K8 O32 S16 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1261","0.077","","","0.194","0.2286","","","","","","0.961","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036251","13.923","0.003","16.765","0.003","22.402","0.005","97.029","0.004","105.185","0.005","90.376","0.003","5004.5","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 B F24 O4 Rb S2 -","- C44 H36 B F24 O4 Rb S2 -","- C176 H144 B4 F96 O16 Rb4 S8 -","4","2","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0826","0.0548","","","0.1315","0.1459","","","","","","1.023","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036252","17.974","0.005","19.582","0.005","28.567","0.007","90","","90","","90","","10055","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H36 B Cs F24 O4 S2 -","- C44 H36 B Cs F24 O4 S2 -","- C352 H288 B8 Cs8 F192 O32 S16 -","8","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1176","0.0604","","","0.1269","0.1548","","","","","","1.016","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036253","16.596","0.004","19.366","0.005","23.794","0.006","90","","93.056","0.005","90","","7636","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H36 B F24 Li O2 S4 -","- C44 H36 B F24 Li O2 S4 -","- C264 H216 B6 F144 Li6 O12 S24 -","6","3","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1446","0.0862","","","0.1913","0.2338","","","","","","1.024","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036254","22.415","0.005","8.9368","0.0017","25.072","0.005","90","","99.731","0.004","90","","4950.1","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 B F24 Na O2 S4 -","- C44 H36 B F24 Na O2 S4 -","- C176 H144 B4 F96 Na4 O8 S16 -","4","0.5","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0557","0.0385","","","0.09","0.0959","","","","","","0.988","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036255","22.558","0.004","8.923","0.0014","25.072","0.004","90","","99.95","0.002","90","","4970.7","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 B F24 K O2 S4 -","- C44 H36 B F24 K O2 S4 -","- C176 H144 B4 F96 K4 O8 S16 -","4","0.5","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0614","0.0496","","","0.1231","0.1309","","","","","","1.043","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036256","12.783","0.0012","67.748","0.007","17.4535","0.0018","90","","96.603","0.003","90","","15015","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H36 B F24 Na O4 Se2 -","- C44 H36 B F24 Na O4 Se2 -","- C528 H432 B12 F288 Na12 O48 Se24 -","12","3","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.0795","0.0646","","","0.1546","0.167","","","","","","0.984","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036257","16.622","0.003","13.876","0.002","44.516","0.008","90","","98.567","0.002","90","","10153","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 B2 F48 K2 O8 Se4 -","- C88 H72 B2 F48 K2 O8 Se4 -","- C352 H288 B8 F192 K8 O32 Se16 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.104","0.0653","","","0.1628","0.1931","","","","","","1.023","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036258","13.5295","0.0003","13.7062","0.0003","15.0026","0.0003","90","","90","","90","","2782.05","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Ca O -","- C30 H46 Ca O -","- C120 H184 Ca4 O4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Zhao, Ning; Zi, Guofu; Walter, Marc D.","Preparation of enantiomerically pure open calcocene and strontocene complexes and their application in ring opening polymerizations of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16325","16331","10.1039/c5dt02851e","","","0.71073","MoKα","","0.0371","0.0336","","","0.0811","0.0831","","","","","","1.05","","","","has coordinates","161637","2020-10-21","18:00:00",""
"7036259","14.1418","0.0005","14.1418","0.0005","15.6028","0.0005","90","","90","","120","","2702.36","0.16","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C38 H62 O3 Sr -","- C38 H62 O3 Sr -","- C114 H186 O9 Sr3 -","3","0.5","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Zhao, Ning; Zi, Guofu; Walter, Marc D.","Preparation of enantiomerically pure open calcocene and strontocene complexes and their application in ring opening polymerizations of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16325","16331","10.1039/c5dt02851e","","","0.71073","MoKα","","0.0453","0.0403","","","0.0894","0.0919","","","","","","1.052","","","","has coordinates,has disorder","161637","2020-10-21","18:00:00",""
"7036260","10.051","0.0008","17.77","0.0013","17.9534","0.0013","67.25","0.001","74.928","0.001","81.569","0.001","2851.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Co3 N20 O18 -","- C66 H54 Co3 N20 O18 -","- C66 H54 Co3 N20 O18 -","1","0.5","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0657","0.0513","","","0.1623","0.1727","","","","","","1.028","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036261","10.9941","0.001","20.29","0.0019","25.862","0.002","90","","90","","90","","5769","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 Co N10 O4 -","- C32 H22 Co N10 O4 -","- C256 H176 Co8 N80 O32 -","8","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0878","0.0565","","","0.1369","0.1557","","","","","","1.018","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036262","28.6457","0.0012","12.544","0.0005","21.6016","0.0009","90","","103.195","0.001","90","","7557.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Co N11 O7 -","- C31 H26 Co N11 O7 -","- C248 H208 Co8 N88 O56 -","8","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0625","0.0553","","","0.1761","0.1832","","","","","","1.059","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036263","11.8012","0.001","15.9766","0.0013","16.0411","0.0013","111.881","0.001","107.739","0.001","94.235","0.001","2612.3","0.4","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C104 H84 Co2 N32 O14 -","- C104 H84 Co2 N32 O14 -","- C104 H84 Co2 N32 O14 -","1","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0649","0.0589","","","0.1681","0.1758","","","","","","1.067","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036264","10.0885","0.001","11.3212","0.0011","15.8398","0.0015","97.102","0.002","93.075","0.002","104.808","0.001","1728.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Co N11 O6 -","- C32 H27 Co N11 O6 -","- C64 H54 Co2 N22 O12 -","2","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0716","0.0668","","","0.1863","0.1925","","","","","","1.069","","","","has coordinates,has disorder","171106","2020-10-21","18:00:00",""
"7036265","10.1017","0.0004","11.4199","0.0005","15.8007","0.0007","96.827","0.002","93.185","0.002","105.541","0.002","1736.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Co N10 O6 -","- C33 H28 Co N10 O6 -","- C66 H56 Co2 N20 O12 -","2","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0765","0.0666","","","0.1929","0.2025","","","","","","1.074","","","","has coordinates,has disorder","171106","2020-10-21","18:00:00",""
"7036266","32.1115","0.0006","8.6471","0.0002","21.364","0.0005","90","","116.247","0.001","90","","5320.5","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cu2 Fe3 N4 O9 Te -","- C19 H16 Cu2 Fe3 N4 O9 Te -","- C152 H128 Cu16 Fe24 N32 O72 Te8 -","8","1","","Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey","Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16675","16679","10.1039/c5dt03242c","","","0.71073","MoKα","","0.042","0.0316","","","0.096","0.1169","","","","","","1.192","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036267","16.6462","0.0005","16.1627","0.0005","9.3673","0.0003","90","","90","","90","","2520.25","0.14","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cu2 Fe3 N4 O9 Te -","- C18 H12 Cu2 Fe3 N4 O9 Te -","- C72 H48 Cu8 Fe12 N16 O36 Te4 -","4","0.5","","Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey","Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16675","16679","10.1039/c5dt03242c","","","0.71073","MoKα","","0.0338","0.0204","","","0.0657","0.1007","","","","","","1.333","","","","has coordinates","161116","2020-10-21","18:00:00",""
"7036268","9.9886","0.0001","13.5547","0.0002","20.5089","0.0003","75.709","0.001","81.229","0.001","77.556","0.001","2613.1","0.06","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Cu2 Fe3 N4 O9 Te -","- C19 H14 Cu2 Fe3 N4 O9 Te -","- C76 H56 Cu8 Fe12 N16 O36 Te4 -","4","2","","Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey","Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16675","16679","10.1039/c5dt03242c","","","0.71073","MoKα","","0.0509","0.0351","","","0.0977","0.1156","","","","","","1.094","","","","has coordinates","161116","2020-10-21","18:00:00",""
"7036269","10.1041","0.0004","13.6572","0.0005","20.2351","0.0008","76.356","0.002","82.953","0.002","79.062","0.002","2655.32","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 Fe3 N4 O9 Te -","- C20 H16 Cu2 Fe3 N4 O9 Te -","- C80 H64 Cu8 Fe12 N16 O36 Te4 -","4","2","","Lin, Chien-Nan; Huang, Chung-Yi; Yu, Chia-Chi; Chen, Yen-Ming; Ke, Wei-Ming; Wang, Guan-Jung; Lee, Gon-Ann; Shieh, Minghuey","Iron carbonyl cluster-incorporated Cu(i) NHC complexes in homocoupling of arylboronic acids: an effective [TeFe3(CO)9](2-) ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16675","16679","10.1039/c5dt03242c","","","0.71073","MoKα","","0.0356","0.03","","","0.0742","0.0774","","","","","","1.042","","","","has coordinates","161116","2020-10-21","18:00:00",""
"7036270","6.06279","0.00019","11.7071","0.0004","14.5542","0.0005","90","","96.26","0.007","90","","1026.86","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C48 H32 B4 F8 N8 -","2","0.5","","Kesavan, Praseetha E.; Das, Sudipta; Lone, Mohsin Y.; Jha, Prakash C.; Mori, Shigeki; Gupta, Iti","Bridged bis-BODIPYs: their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17209","17221","10.1039/c5dt01925g","","","1.54187","CuKα","","0.048","0.0438","","","0.1105","0.1133","","","","","","1.084","","","","has coordinates","161242","2020-10-21","18:00:00",""
"7036271","13.0203","0.0003","10.333","0.0002","15.098","0.002","90","","90.005","0.009","90","","2031.3","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C96 H64 B8 F16 N16 -","4","0.5","","Kesavan, Praseetha E.; Das, Sudipta; Lone, Mohsin Y.; Jha, Prakash C.; Mori, Shigeki; Gupta, Iti","Bridged bis-BODIPYs: their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17209","17221","10.1039/c5dt01925g","","","1.54187","CuKα","","0.0429","0.0399","","","0.1025","0.1052","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036272","25.107","0.013","9.399","0.004","13.496","0.007","90","","110.599","0.006","90","","2981","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H25 B2 F4 N5 -","- C36 H25 B2 F4 N5 -","- C144 H100 B8 F16 N20 -","4","0.5","","Kesavan, Praseetha E.; Das, Sudipta; Lone, Mohsin Y.; Jha, Prakash C.; Mori, Shigeki; Gupta, Iti","Bridged bis-BODIPYs: their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17209","17221","10.1039/c5dt01925g","","","0.71075","MoKα","","0.0867","0.0679","","","0.1375","0.1478","","","","","","1.174","","","","has coordinates","161242","2020-10-21","18:00:00",""
"7036273","12.3525","0.0008","15.245","0.0011","15.4423","0.0011","80.643","0.002","68.402","0.002","68.157","0.002","2508.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H73 F6 N2 P2 Pt2 -","- C51 H73 F6 N2 P2 Pt2 -","- C102 H146 F12 N4 P4 Pt4 -","2","1","","Berger, Josefine; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Reactivity of platinum alkyne complexes towards N-fluorobenzenesulfonimide: formation of platinum compounds bearing a β-fluorovinyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19553","19565","10.1039/c5dt02306h","","","0.71073","MoKα","","0.0159","0.0139","","","0.0326","0.0334","","","","","","1.013","","","","has coordinates","171162","2020-10-21","18:00:00",""
"7036274","11.8067","0.0011","16.0871","0.0016","16.4945","0.0016","90","","122.476","0.006","90","","2643","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 F4 N O2 P Pt -","- C26 H34 F4 N O2 P Pt -","- C104 H136 F16 N4 O8 P4 Pt4 -","4","1","","Berger, Josefine; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Reactivity of platinum alkyne complexes towards N-fluorobenzenesulfonimide: formation of platinum compounds bearing a β-fluorovinyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19553","19565","10.1039/c5dt02306h","","","0.71073","MoKα","","0.0428","0.0265","","","0.0551","0.0596","","","","","","0.92","","","","has coordinates","171162","2020-10-21","18:00:00",""
"7036275","28.877","0.004","11.9293","0.0016","15.0065","0.0019","90","","97.409","0.003","90","","5126.3","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O P2 Pt2 -","- C54 H79.992 N2 O P2 Pt2 -","- C216 H319.968 N8 O4 P8 Pt8 -","4","0.5","","Berger, Josefine; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Reactivity of platinum alkyne complexes towards N-fluorobenzenesulfonimide: formation of platinum compounds bearing a β-fluorovinyl ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19553","19565","10.1039/c5dt02306h","","","0.71073","MoKα","","0.0307","0.0201","","","0.0462","0.0519","","","","","","0.901","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036276","9.7255","0.0007","12.2075","0.0008","19.9276","0.0018","90","","90","","90","","2365.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B2 Co H3 K2 O14 P3 -","- B2 Co H3 K2 O14 P3 -","- B16 Co8 H24 K16 O112 P24 -","8","1","","Zhang, Dan; Feng, Yuquan; Liu, Yunling; Zhang, Yuan; Li, Guanghua; Yuan, Hongming","Organotemplate-free synthesis of two open-framework metal borophosphates.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17100","17105","10.1039/c5dt02637g","","","0.71073","MoKα","","0.0317","0.0265","","","0.0716","0.076","","","","","","1.006","","","","has coordinates","161199","2020-10-21","18:00:00",""
"7036277","9.5543","0.0019","12.056","0.002","19.814","0.004","90","","90","","90","","2282.3","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B2 Co H K2 O13 P3 -","- B2 Co H K2 O13 P3 -","- B16 Co8 H8 K16 O104 P24 -","8","1","","Zhang, Dan; Feng, Yuquan; Liu, Yunling; Zhang, Yuan; Li, Guanghua; Yuan, Hongming","Organotemplate-free synthesis of two open-framework metal borophosphates.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17100","17105","10.1039/c5dt02637g","","","0.71073","MoKα","","0.0447","0.0316","","","0.0712","0.076","","","","","","1.031","","","","has coordinates,has disorder","161199","2020-10-21","18:00:00",""
"7036278","16.404","0.003","9.3422","0.0018","19.045","0.004","90","","93.067","0.002","90","","2914.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N2 Ni -","- C30 H44 N2 Ni -","- C120 H176 N8 Ni4 -","4","0.5","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.0353","0.0319","","","0.0885","0.091","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036279","9.649","0.002","10.406","0.002","18.47","0.004","81.915","0.003","83.476","0.002","65.495","0.002","1667.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N2 Ni -","- C36 H48 N2 Ni -","- C72 H96 N4 Ni2 -","2","1","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.0579","0.0489","","","0.1284","0.1341","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036280","9.7243","0.0018","10.4129","0.0019","18.679","0.003","83.031","0.003","87.778","0.003","63.827","0.003","1684.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N2 Ni -","- C37 H50 N2 Ni -","- C74 H100 N4 Ni2 -","2","1","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.0675","0.0564","","","0.1508","0.1746","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036281","19.024","0.011","41.19","0.02","9.557","0.006","90","","90","","90","","7489","7","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C42 H52 N2 Ni -","- C42 H52 N2 Ni -","- C336 H416 N16 Ni8 -","8","0.5","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.0429","0.0345","","","0.0844","0.0905","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036282","19.995","0.004","9.4506","0.0017","20.667","0.004","90","","92.609","0.003","90","","3901.3","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N2 Ni -","- C44 H54 N2 Ni -","- C176 H216 N8 Ni4 -","4","1","","Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan","α-Diimine nickel complexes of ethylene and related alkenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16228","16232","10.1039/c5dt02333e","","","0.71073","MoKα","","0.1017","0.057","","","0.1451","0.1842","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036283","10.1085","0.0013","18.918","0.002","11.0438","0.0015","90","","110.984","0.002","90","","1971.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H33 Cd3 N3 O18 -","- C33 H26 Cd3 N3 O18 -","- C66 H52 Cd6 N6 O36 -","2","0.5","","Jin, Jun-Cheng; Pang, Ling-Yan; Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu","Two porous luminescent metal-organic frameworks: quantifiable evaluation of dynamic and static luminescent sensing mechanisms towards Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17222","17228","10.1039/c5dt03038b","","","0.71073","MoKα","","0.0496","0.0451","","","0.1505","0.154","","","","","","1.271","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036284","18.633","0.005","20.399","0.005","20.852","0.005","90","","90","","90","","7926","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H58 Cd4 N4 O29 -","- C60 H58 Cd4 N4 O29 -","- C240 H232 Cd16 N16 O116 -","4","1","","Jin, Jun-Cheng; Pang, Ling-Yan; Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu","Two porous luminescent metal-organic frameworks: quantifiable evaluation of dynamic and static luminescent sensing mechanisms towards Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17222","17228","10.1039/c5dt03038b","","","0.71073","MoKα","","0.0379","0.036","","","0.1027","0.1043","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036286","13.6554","0.0012","18.5961","0.0016","20.2697","0.0017","90.523","0.001","108.49","0.001","96.048","0.002","4849.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MQ-Fe(III)PPIX","","","- C107.6 H102.8 F12 Fe2 N14.8 O10.2 -","- C107.606 H95.889 F12 Fe2 N14.803 O10.197 -","- C215.212 H191.778 F24 Fe4 N29.606 O20.394 -","2","1","","Gildenhuys, Johandie; Sammy, Chandre J.; Müller, Ronel; Streltsov, Victor A.; le Roex, Tanya; Kuter, David; de Villiers, Katherine A.","Alkoxide coordination of iron(iii) protoporphyrin IX by antimalarial quinoline methanols: a key interaction observed in the solid-state and solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16767","16777","10.1039/c5dt02671g","","","0.71073","MoKα","","0.0921","0.0597","","","0.1328","0.1477","","","","","","1.027","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036287","15.787","0.002","16.517","0.003","18.303","0.003","90","","97.155","0.002","90","","4735.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","QD-Fe(III)PPIX acetonitrile solvate","","","- C110 H113.94 Fe2 N13 O12.47 -","- C110 H104 Fe2 N13 O12.467 -","- C220 H208 Fe4 N26 O24.934 -","2","1","","Gildenhuys, Johandie; Sammy, Chandre J.; Müller, Ronel; Streltsov, Victor A.; le Roex, Tanya; Kuter, David; de Villiers, Katherine A.","Alkoxide coordination of iron(iii) protoporphyrin IX by antimalarial quinoline methanols: a key interaction observed in the solid-state and solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16767","16777","10.1039/c5dt02671g","","","0.71073","MoKα","","0.0678","0.0483","","","0.1157","0.127","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036292","19.236","0.003","17.58","0.003","14.37","0.003","90","","126.193","0.004","90","","3921.8","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 N4 O3.5 -","- C20 H16 N3 O2.5 -","- C160 H128 N24 O20 -","8","1","","Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Guedes da Silva, M Fátima C; Koch, Biplob; Pombeiro, Armando J. L.","Intracellular detection of Cu(2+) and S(2-) ions through a quinazoline functionalized benzimidazole-based new fluorogenic differential chemosensor.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16953","16964","10.1039/c5dt02662h","","","0.71069","MoKα","","0.107","0.087","","","0.2331","0.2453","","","","","","1.082","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036293","24.7686","0.0011","12.1074","0.0003","21.6863","0.001","90","","123.588","0.006","90","","5417.5","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H41 Cl2 N5 O14 Tb Zn2 -","- C44 H41 Cl2 N5 O14 Tb Zn2 -","- C176 H164 Cl8 N20 O56 Tb4 Zn8 -","4","0.5","","Olea-Román, Daniela; Bélanger-Desmarais, Nicolas; Flores-Álamo, Marcos; Bazán, Claudia; Thouin, Félix; Reber, Christian; Castillo-Blum, Silvia E","Spectroscopic studies of lanthanide complexes of varying nuclearity based on a compartmentalised ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17175","17188","10.1039/c5dt02563j","","","0.71073","MoKα","","0.0444","0.0387","","","0.1115","0.1159","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036294","9.7146","0.0014","12.1476","0.0013","12.9509","0.0006","83.09","0.007","71.598","0.01","87.232","0.01","1439.6","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 N5 O15 Sm Zn -","- C22 H22 N5 O15 Sm Zn -","- C44 H44 N10 O30 Sm2 Zn2 -","2","1","","Olea-Román, Daniela; Bélanger-Desmarais, Nicolas; Flores-Álamo, Marcos; Bazán, Claudia; Thouin, Félix; Reber, Christian; Castillo-Blum, Silvia E","Spectroscopic studies of lanthanide complexes of varying nuclearity based on a compartmentalised ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17175","17188","10.1039/c5dt02563j","","","0.71073","MoKα","","0.0465","0.0352","","","0.0711","0.0772","","","","","","1.061","","","","has coordinates,has disorder","161150","2020-10-21","18:00:00",""
"7036295","11.4819","0.0009","13.1424","0.0009","13.8087","0.001","71.062","0.006","77.213","0.006","80.759","0.006","1913.1","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 Cl Dy N4 O14 Zn -","- C28 H38 Cl Dy N4 O14 Zn -","- C56 H76 Cl2 Dy2 N8 O28 Zn2 -","2","1","","Olea-Román, Daniela; Bélanger-Desmarais, Nicolas; Flores-Álamo, Marcos; Bazán, Claudia; Thouin, Félix; Reber, Christian; Castillo-Blum, Silvia E","Spectroscopic studies of lanthanide complexes of varying nuclearity based on a compartmentalised ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17175","17188","10.1039/c5dt02563j","","","0.71073","MoKα","","0.0786","0.0591","","","0.1334","0.1434","","","","","","1.065","","","","has coordinates,has disorder","161150","2020-10-21","18:00:00",""
"7036300","7.2532","0.0017","20.093","0.004","24.757","0.006","90","","90","","90","","3608","1.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-biphenyl)(4,4'-dibromo-2,2'-bipyridyl)platinum(II)","","- C22 H14 Br2 N2 Pt -","- C22 H14 Br2 N2 Pt -","- C176 H112 Br16 N16 Pt8 -","8","1","","Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal","HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17075","17090","10.1039/c5dt01891a","","x-ray","0.71073","MoKα","","0.058","0.0379","","","0.0645","0.0704","","","","","","1.039","","","","has coordinates","161181","2020-10-21","18:00:00",""
"7036301","13.8433","0.001","9.9922","0.0007","17.0754","0.0013","90","","112.027","0.003","90","","2189.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-biphenyl)(4,4'-dimethyl-2,2'-bipyridyl)platinum(II)","","- C27 H26 N2 O Pt -","- C24 H20 N2 Pt -","- C96 H80 N8 Pt4 -","4","1","","Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal","HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17075","17090","10.1039/c5dt01891a","","x-ray","0.71073","MoKα","","0.0597","0.0334","","","0.0657","0.0724","","","","","","1.016","","","","has coordinates","161181","2020-10-21","18:00:00",""
"7036302","22.3019","0.0011","7.1519","0.0004","31.0906","0.0015","90","","105.466","0.003","90","","4779.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-biphenyl)(4,4'-diethylester-2,2'-dipyridyl)platinum(II)","","- C28 H24 N2 O4 Pt -","- C28 H24 N2 O4 Pt -","- C224 H192 N16 O32 Pt8 -","8","1","","Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal","HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17075","17090","10.1039/c5dt01891a","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0585","0.0599","","","","","","1.149","","","","has coordinates","161181","2020-10-21","18:00:00",""
"7036303","8.0864","0.0004","9.4932","0.0005","14.1197","0.0006","76.55","0.004","81.398","0.004","86.999","0.004","1042.15","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Kumar, Amit; Pandey, Rampal; Kumar, Ashish; Gupta, Rakesh Kumar; Dubey, Mrigendra; Mohammed, Akbar; Mobin, Shaikh M.; Pandey, Daya Shankar","Self-assembled copper(ii) metallacycles derived from asymmetric Schiff base ligands: efficient hosts for ADP/ATP in phosphate buffer.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17152","17165","10.1039/c5dt01433f","","","0.71073","MoKα","","0.158","0.0745","","","0.1945","0.2516","","","","","","1.02","","","","has coordinates","161195","2020-10-21","18:00:00",""
"7036304","28.1303","0.0008","15.5125","0.0003","40.2602","0.0013","90","","110.063","0.003","90","","16502.3","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C84 H88 Cu4 N8 O8 -","- C84 H88 Cu4 N8 O8 -","- C672 H704 Cu32 N64 O64 -","8","1","","Kumar, Amit; Pandey, Rampal; Kumar, Ashish; Gupta, Rakesh Kumar; Dubey, Mrigendra; Mohammed, Akbar; Mobin, Shaikh M.; Pandey, Daya Shankar","Self-assembled copper(ii) metallacycles derived from asymmetric Schiff base ligands: efficient hosts for ADP/ATP in phosphate buffer.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17152","17165","10.1039/c5dt01433f","","","1.54184","CuKα","","0.1071","0.0916","","","0.2731","0.2955","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036305","9.912","0.004","16.351","0.007","10.915","0.005","90","","90.662","0.012","90","","1768.9","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Rh2 S4 -","- C40 H42 Rh2 S4 -","- C80 H84 Rh4 S8 -","2","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0851","0.0665","","","0.158","0.1653","","","","","","0.842","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036306","13.9932","0.0011","13.8243","0.001","16.3045","0.0011","90","","101.801","0.0018","90","","3087.4","0.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 O Rh2 S2 -","- C32 H40 Cl2 O Rh2 S2 -","- C128 H160 Cl8 O4 Rh8 S8 -","4","1","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.021","0.02","","","0.0563","0.0567","","","","","","1.065","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036307","29.217","0.004","44.75","0.007","11.2618","0.0017","90","","90","","90","","14724","4","93","","93","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H88 Cl6 Rh4 S6 -","- C78 H88 Cl6 Rh4 S6 -","- C624 H704 Cl48 Rh32 S48 -","8","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0307","0.0299","","","0.0859","0.0866","","","","","","1.032","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036308","9.8117","0.0009","16.2184","0.0013","10.8329","0.0008","90","","90.33","0.006","90","","1723.8","0.2","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Ir2 S4 -","- C40 H42 Ir2 S4 -","- C80 H84 Ir4 S8 -","2","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0162","0.0149","","","0.0329","0.0334","","","","","","1.087","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036309","14.1227","0.0016","13.8101","0.0014","16.308","0.0018","90","","101.803","0.002","90","","3113.4","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Ir2 O S2 -","- C32 H40 Cl2 Ir2 O S2 -","- C128 H160 Cl8 Ir8 O4 S8 -","4","1","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.019","0.0171","","","0.0373","0.0378","","","","","","0.999","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036310","8.9847","0.0018","13.89","0.003","26.472","0.005","90","","94.359","0.004","90","","3294.1","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl2 O Rh2 S2 -","- C34 H45.5 Cl2 O Rh2 S2 -","- C136 H182 Cl8 O4 Rh8 S8 -","4","1","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0851","0.0847","","","0.2096","0.2414","","","","","","1.043","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036311","16.8938","0.0014","11.8801","0.0009","21.7865","0.0018","90","","90","","90","","4372.6","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H39 Cl11 Ir2 S2 -","- C33 H12 Cl11 Ir2 S2 -","- C132 H48 Cl44 Ir8 S8 -","4","0.5","","Nejman, Phillip S.; Morton-Fernandez, Brian; Moulding, David J.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr; Woollins, J. Derek","Structural diversity of bimetallic rhodium and iridium half sandwich dithiolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16758","16766","10.1039/c5dt02542g","","","0.71075","MoKα","","0.0919","0.0916","","","0.2458","0.2747","","","","","","1.098","","","","has coordinates","161117","2020-10-21","18:00:00",""
"7036312","15.5227","0.001","15.5227","0.001","15.5227","0.001","90","","90","","90","","3740.3","0.4","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Sodium Thallium Germanium","","- Cs4 Ge68 Na5.12 Tl2.88 -","- Cs4 Ge68 Na5.1192 Tl2.8808 -","- Cs8 Ge136 Na10.2384 Tl5.7616 -","2","0.0104167","","Zhang, Hui; Li, Wei; Xu, Xuguang; Mu, Gang; Xie, Xiaoming; Huang, Fuqiang","Structure and properties of type-II clathrate Cs8Na16-xTlxGe136.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16937","16945","10.1039/c5dt02766g","","","0.56084","AgKα","","0.0264","0.0237","","","0.0539","0.0547","","","","","","1.102","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036313","15.4863","0.00005","15.4863","0.00005","15.4863","0.00005","90","","90","","90","","3714.01","0.02","295","","295","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Sodium Thallium Germanium","","- Cs4 Ge68 Na4.18 Tl3.82 -","- Cs4 Ge68 Na4.176 Tl3.824 -","- Cs8 Ge136 Na8.352 Tl7.648 -","2","0.0104167","","Zhang, Hui; Li, Wei; Xu, Xuguang; Mu, Gang; Xie, Xiaoming; Huang, Fuqiang","Structure and properties of type-II clathrate Cs8Na16-xTlxGe136.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16937","16945","10.1039/c5dt02766g","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0414","","","","","","","0.0684","0.25608","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036314","15.49373","0.00005","15.49373","0.00005","15.49373","0.00005","90","","90","","90","","3719.36","0.02","295","","295","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Sodium Thallium Germanium","","- Cs4 Ge68 Na4.97 Tl3.03 -","- Cs4 Ge68 Na4.968 Tl3.032 -","- Cs8 Ge136 Na9.936 Tl6.064 -","2","0.0104167","","Zhang, Hui; Li, Wei; Xu, Xuguang; Mu, Gang; Xie, Xiaoming; Huang, Fuqiang","Structure and properties of type-II clathrate Cs8Na16-xTlxGe136.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16937","16945","10.1039/c5dt02766g","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0288","","","","","","","0.069","0.28936","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036315","15.48318","0.00005","15.48318","0.00005","15.48318","0.00005","90","","90","","90","","3711.77","0.02","295","","295","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cesium Sodium Thallium Germanium","","- Cs4 Ge68 Na7.38 Tl0.62 -","- Cs4 Ge68 Na7.3856 Tl0.6144 -","- Cs8 Ge136 Na14.7712 Tl1.2288 -","2","0.0104167","","Zhang, Hui; Li, Wei; Xu, Xuguang; Mu, Gang; Xie, Xiaoming; Huang, Fuqiang","Structure and properties of type-II clathrate Cs8Na16-xTlxGe136.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16937","16945","10.1039/c5dt02766g","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0615","0.27671","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036316","15.7964","0.0015","19.5355","0.0014","20.3243","0.0016","112.383","0.007","98.552","0.007","96.467","0.007","5635.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H81 Mo6 N5 O18 -","- C40 H81 Mo6 N5 O18 -","- C160 H324 Mo24 N20 O72 -","4","2","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.1068","0.0753","","","0.1677","0.1895","","","","","","1.491","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7036317","19.306","0.004","15.312","0.003","20.714","0.004","90","","117.82","0.03","90","","5416","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.5 H38 Mo3 N2 O9 -","- C18.5 H38 Mo3 N2 O9 -","- C148 H304 Mo24 N16 O72 -","8","1","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.0685","0.0601","","","0.1538","0.1611","","","","","","1.118","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036318","16.934","0.003","20.054","0.004","32.431","0.007","90","","90","","90","","11013","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H76 Mo6 N4 O18 -","- C37 H76 Mo6 N4 O18 -","- C296 H608 Mo48 N32 O144 -","8","1","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.108","0.0607","","","0.1502","0.1768","","","","","","1.039","","","","has coordinates,has disorder","161126","2020-10-21","18:00:00",""
"7036319","10.943","0.002","17.471","0.004","17.804","0.004","94.53","0.03","91.26","0.03","104.75","0.03","3278.3","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H62 Mo12 N8 O36 -","- C36 H62 Mo12 N8 O36 -","- C72 H124 Mo24 N16 O72 -","2","1","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.0827","0.0615","","","0.1603","0.1723","","","","","","1.043","","","","has coordinates,has disorder","161126","2020-10-21","18:00:00",""
"7036320","10.885","0.002","17.838","0.004","18.104","0.004","94.83","0.03","91.43","0.03","105.85","0.03","3365.3","1.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Mo12 N8 O36 -","- C39 H68 Mo12 N8 O36 -","- C78 H136 Mo24 N16 O72 -","2","1","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.0538","0.045","","","0.0832","0.0866","","","","","","1.177","","","","has coordinates,has disorder","161126","2020-10-21","18:00:00",""
"7036332","12.1909","0.0017","11.9003","0.0017","25.26","0.004","90","","99.579","0.003","90","","3613.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trans-NO2","trans-NO2","","- C38 H30 F6 N6 O2 P2 Ru -","- C38 H30 F6 N6 O2 P2 Ru -","- C152 H120 F24 N24 O8 P8 Ru4 -","4","1","","Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki","Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17189","17200","10.1039/c5dt02994e","","","0.71073","MoKα","","0.0768","0.0596","","","0.156","0.1678","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036333","10.2764","0.0002","21.2343","0.0004","24.3802","0.0004","77.006","0.001","78.953","0.001","74.936","0.001","4955.3","0.16","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","cis-NO2'","cis-NO2'","","- C61 H48.5 B N5.5 O2 P Ru -","- C61 H48.5 B N5.5 O2 P Ru -","- C244 H194 B4 N22 O8 P4 Ru4 -","4","2","","Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki","Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17189","17200","10.1039/c5dt02994e","","","0.71073","MoKα","","0.0392","0.0337","","","0.1031","0.1071","","","","","","1.178","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036334","17.1049","0.0006","13.0763","0.0006","20.1547","0.0008","90","","106.853","0.003","90","","4314.4","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PP-NO2","PP-NO2","","- C47 H43 F6 N4 O4 P3 Ru -","- C47 H43 F6 N4 O4 P3 Ru -","- C188 H172 F24 N16 O16 P12 Ru4 -","4","1","","Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki","Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17189","17200","10.1039/c5dt02994e","","x-ray","0.71073","MoKα","","0.0719","0.0397","","","0.0831","0.0941","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036335","9.9017","0.0005","14.8558","0.0005","9.7532","0.0004","90","","111.682","0.006","90","","1333.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl6 N6 Re -","- C24 H18 Cl6 N6 Re -","- C48 H36 Cl12 N12 Re2 -","2","0.5","","Gryca, I.; Palion-Gazda, J; Machura, B.; Penkala, M.; Kruszyński, R; Cano, J.; Lloret, F.; Julve, M.","Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17118","17128","10.1039/c5dt02522b","","","0.71073","MoKα","","0.0363","0.0232","","","0.042","0.0446","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036336","7.378","0.0006","8.9895","0.0005","18.1306","0.0008","86.077","0.004","85.878","0.005","80.447","0.006","1180.81","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 Cl8 Cu2 N16 O8 Re2 -","- C32 H32 Cl8 Cu2 N16 O8 Re2 -","- C32 H32 Cl8 Cu2 N16 O8 Re2 -","1","0.5","","Gryca, I.; Palion-Gazda, J; Machura, B.; Penkala, M.; Kruszyński, R; Cano, J.; Lloret, F.; Julve, M.","Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17118","17128","10.1039/c5dt02522b","","","0.71073","MoKα","","0.1133","0.0687","","","0.1434","0.1576","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036337","5.09838","0.00018","18.97424","0.00063","8.04487","0.00026","90","","90","","90","","778.24","0.05","300","","300","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 O8 Rb Sm -","- Mo2 O8 Rb Sm -","- Mo8 O32 Rb4 Sm4 -","4","0.5","","V.V. Atuchin; A.S. Aleksandrovsky; O.D.Chimitova; Cheng-Peng Diao; T.A. Gavrilova; V.G. Kesler; M.S. Molokeev; A.S. Krylov; B.G. Bazarov; J.G. Bazarova; Zheshuai Lin","Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates","Dalton Transactions","2015","44","4","1805","1815","10.1039/C4DT03203A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.72","2.542","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036338","5.618","0.001","15.682","0.003","19.716","0.003","90","","91.99","0.002","90","","1736","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-phenyl-2-(2-pyridyl)pyridine","","- C24 H18 N3 -","- C24.001 H18.001 N2.999 -","- C96.004 H72.004 N11.996 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.","Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16824","16832","10.1039/c5dt02755a","","","0.71073","MoKα","","0.0801","0.0528","","","0.1568","0.1789","","","","","","1.049","","","","has coordinates,has disorder","171101","2020-10-21","18:00:00",""
"7036339","9.3666","0.0003","10.2614","0.0003","30.1047","0.0011","90","","93.907","0.003","90","","2886.77","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Cu I N2 P -","- C34 H27 Cu I N2 P -","- C136 H108 Cu4 I4 N8 P4 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.","Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16824","16832","10.1039/c5dt02755a","","","0.71073","MoKα","","0.0417","0.0334","","","0.0785","0.0824","","","","","","1.034","","","","has coordinates","171101","2020-10-21","18:00:00",""
"7036340","10.5921","0.0004","13.9695","0.0006","15.0293","0.0005","90","","94.299","0.003","90","","2217.57","0.15","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H42 B Cu F4 N2 P2 -","- C52 H42 B Cu F4 N2 P2 -","- C104 H84 B2 Cu2 F8 N4 P4 -","2","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Robeyns, Koen; Filinchuk, Yaroslav; Vande Velde, Christophe M. L.","Luminescent mononuclear mixed ligand complexes of copper(i) with 5-phenyl-2,2'-bipyridine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16824","16832","10.1039/c5dt02755a","","","0.71073","MoKα","","0.0437","0.0376","","","0.0886","0.0913","","","","","","1.007","","","","has coordinates","171101","2020-10-21","18:00:00",""
"7036341","9.8914","0.0011","10.6681","0.0012","22.2","0.002","90","","90","","90","","2342.6","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B Cl2 N2 O5 Pd -","- C20 H21 B Cl2 N2 O5 Pd -","- C80 H84 B4 Cl8 N8 O20 Pd4 -","4","1","","Reddy, Eda Rami; Trivedi, Rajiv; Sarma, Akella Venkata Subrahmanya; Sridhar, Balasubramanian; Anantaraju, Hasitha Shilpa; Sriram, Dharmarajan; Yogeeswari, Perumal; Nagesh, Narayana","Sugar-boronate ester scaffold tethered pyridyl-imine palladium(ii) complexes: synthesis and their in vitro anticancer evaluation.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17600","17616","10.1039/c5dt03266k","","","0.71073","MoKα","","0.0225","0.0215","","","0.0579","0.0584","","","","","","1.088","","","","has coordinates","161870","2020-10-21","18:00:00",""
"7036342","5.349","0.0006","14.2059","0.0017","19.214","0.002","90","","90","","90","","1460","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 B N O5 -","- C14 H18 B N O5 -","- C56 H72 B4 N4 O20 -","4","1","","Reddy, Eda Rami; Trivedi, Rajiv; Sarma, Akella Venkata Subrahmanya; Sridhar, Balasubramanian; Anantaraju, Hasitha Shilpa; Sriram, Dharmarajan; Yogeeswari, Perumal; Nagesh, Narayana","Sugar-boronate ester scaffold tethered pyridyl-imine palladium(ii) complexes: synthesis and their in vitro anticancer evaluation.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17600","17616","10.1039/c5dt03266k","","","0.71073","MoKα","","0.0424","0.04","","","0.0901","0.0915","","","","","","1.093","","","","has coordinates","161870","2020-10-21","18:00:00",""
"7036343","9.8813","0.0003","12.6032","0.0007","14.2018","0.0007","99.25","0.004","102.363","0.004","94.534","0.004","1693.31","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H60 Br2 Mn2 N4 O14 -","- C70.0006 H60 Br2.0006 Mn2 N4 O14.0006 -","- C70.0006 H60 Br2.0006 Mn2 N4 O14.0006 -","1","0.5","","Karthikeyan, S.; Nagarajaprakash, R.; Satheesh, Garisekurthi; Ashok Kumar, Chowan; Manimaran, Bala","Self-assembly of a fac-Mn(CO)3-core containing dinuclear metallacycles using flexible ditopic linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17389","17398","10.1039/c5dt01866h","","","0.71073","MoKα","","0.0893","0.0402","","","0.0666","0.0717","","","","","","0.827","","","","has coordinates,has disorder","161161","2020-10-21","18:00:00",""
"7036344","14.3438","0.001","10.199","0.0008","22.1532","0.001","90","","95.416","0.004","90","","3226.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 Br2 Mn2 N4 O8 -","- C74 H64 Br2 Mn2 N4 O8 -","- C148 H128 Br4 Mn4 N8 O16 -","2","0.5","","Karthikeyan, S.; Nagarajaprakash, R.; Satheesh, Garisekurthi; Ashok Kumar, Chowan; Manimaran, Bala","Self-assembly of a fac-Mn(CO)3-core containing dinuclear metallacycles using flexible ditopic linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17389","17398","10.1039/c5dt01866h","","","0.71073","MoKα","","0.0764","0.0564","","","0.1339","0.1406","","","","","","1.206","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036345","12.5491","0.0004","13.3073","0.0007","15.8423","0.0006","90","","107.932","0.004","90","","2517.06","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 Br2 Cl8 Mn2 N4 O14 -","- C38.04 H29.508 Br2.04 Cl8 Mn2 N4 O14.04 -","- C76.08 H59.016 Br4.08 Cl16 Mn4 N8 O28.08 -","2","0.5","","Karthikeyan, S.; Nagarajaprakash, R.; Satheesh, Garisekurthi; Ashok Kumar, Chowan; Manimaran, Bala","Self-assembly of a fac-Mn(CO)3-core containing dinuclear metallacycles using flexible ditopic linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17389","17398","10.1039/c5dt01866h","","","0.71073","MoKα","","0.0788","0.0598","","","0.1611","0.1674","","","","","","1.108","","","","has coordinates,has disorder","161161","2020-10-21","18:00:00",""
"7036346","10.0199","0.0012","14.4995","0.0017","16.754","0.002","66.647","0.002","83.975","0.002","89.327","0.003","2221.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ni(η^3^-C~9~H~7~)(Cl)(AsPh~3~)]","(tri-hapto-indenyl)-chloro-triphenylarsine-nickel (II)","","- C27 H22 As Cl Ni -","- C27 H22 As Cl Ni -","- C108 H88 As4 Cl4 Ni4 -","4","2","","Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Silva, Leonel C.; Costa, Sandra I.; Gomes, Pedro T.; Jiménez-Tenorio, Manuel; Valerga, Pedro; Puerta, M. Carmen","First examples of neutral and cationic indenyl nickel(ii) complexes bearing arsine or stibine ligands: highly active catalysts for the oligomerisation of styrene.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17015","17019","10.1039/c5dt02794b","","x-ray","0.71073","MoKα","","0.0631","0.0577","","","0.1272","0.1308","","","","","","1.074","","","","has coordinates","161166","2020-10-21","18:00:00",""
"7036347","12.1829","0.0004","14.0906","0.0008","14.9798","0.0006","63.766","0.005","77.41","0.003","78.245","0.004","2234.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H110 N14 O34 Pb2 -","- C82 H110 N14 O34 Pb2 -","- C82 H110 N14 O34 Pb2 -","1","0.5","","Li, Min; Jiang, Xiu-Juan; Wu, Hui-Hui; Lu, Hong-Lin; Li, Hai-Yang; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","A dual functional probe for ""turn-on"" fluorescence response of Pb(2+) and colorimetric detection of Cu(2+) based on a rhodamine derivative in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17326","17334","10.1039/c5dt02731d","","","0.71073","MoKα","","0.0819","0.068","","","0.17","0.1824","","","","","","1.007","","","","has coordinates","161171","2020-10-21","18:00:00",""
"7036348","9.0843","0.0017","10.6661","0.0019","22.98","0.004","94.141","0.003","98.605","0.003","107.719","0.003","2080.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[Ru(L1)(L2)(L3)(ClO4)2]","","","- C37 H25 Cl2 N9 O8 Ru -","- C37 H25 Cl2 N9 O8 Ru -","- C74 H50 Cl4 N18 O16 Ru2 -","2","1","","Huang, Huaiyi; Zhang, Pingyu; Yu, Bole; Jin, Chengzhi; Ji, Liangnian; Chao, Hui","Synthesis, characterization and biological evaluation of mixed-ligand ruthenium(ii) complexes for photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17335","17345","10.1039/c5dt02081f","","","0.71073","MoKα","","0.0628","0.0493","","","0.1348","0.1422","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036349","24.4349","0.0011","8.1832","0.0004","6.3091","0.0003","90","","90","","90","","1261.54","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H18 N O P -","- C13 H18 N O P -","- C52 H72 N4 O4 P4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0404","0.0345","","","0.0772","0.0804","","","","","","1.036","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036350","9.2832","0.0002","11.2563","0.0002","11.6948","0.0002","90","","90","","90","","1222.04","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P S -","- C12 H15 O P S -","- C48 H60 O4 P4 S4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","","0.71073","MoKα","","0.0341","0.0318","","","0.0862","0.0881","","","","","","1.048","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036351","19.7394","0.0005","10.6656","0.0002","13.4265","0.0003","90","","94.353","0.002","90","","2818.56","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 O2 P2 Pt S2 -","- C24 H30 Cl2 O2 P2 Pt S2 -","- C96 H120 Cl8 O8 P8 Pt4 S8 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0526","0.0376","","","0.0751","0.0824","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036352","7.9939","0.0006","8.2245","0.0007","9.6307","0.0008","106.931","0.008","98.445","0.007","99.675","0.007","584.11","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 Cl2 O2 P2 Pt S2 -","- C18 H30 Cl2 O2 P2 Pt S2 -","- C18 H30 Cl2 O2 P2 Pt S2 -","1","0.5","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.02","0.0198","","","0.0475","0.0476","","","","","","1.052","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036353","9.4916","0.0008","9.9475","0.0008","10.6719","0.0008","67.278","0.007","87.525","0.006","62.6","0.008","813.93","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N O2 P -","- C18 H20 N O2 P -","- C36 H40 N2 O4 P2 -","2","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0737","0.0541","","","0.1306","0.146","","","","","","1.048","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036354","10.4802","0.0006","14.7316","0.0008","10.1363","0.0006","90","","90","","90","","1564.94","0.15","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H18 N O P S -","- C16 H18 N O P S -","- C64 H72 N4 O4 P4 S4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0433","0.0361","","","0.075","0.0795","","","","","","1.001","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036355","10.2731","0.0007","13.1092","0.0008","14.9365","0.0009","76.843","0.005","89.855","0.005","76.048","0.005","1898","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H86 Cl2 N4 O4 P4 Pd2 S4 -","- C78 H86 Cl2 N4 O4 P4 Pd2 S4 -","- C78 H86 Cl2 N4 O4 P4 Pd2 S4 -","1","0.5","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","1.54178","CuKα","","0.0426","0.0353","","","0.0862","0.0914","","","","","","1.023","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036356","12.9948","0.0009","32.593","0.002","8.0889","0.0004","90","","105.09","0.006","90","","3307.8","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H70 Br2 N4 O4 P4 Pd2 S4 -","- C64 H70 Br2 N4 O4 P4 Pd2 S4 -","- C128 H140 Br4 N8 O8 P8 Pd4 S8 -","2","0.5","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.1914","0.1621","","","0.3286","0.3409","","","","","","1.335","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036357","9.6012","0.0006","13.4753","0.001","18.3926","0.0013","90","","94.323","0.006","90","","2372.8","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O3 -","- C30 H27.615 O3 -","- C120 H110.46 O12 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.0917","0.0671","","","0.1655","0.1842","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036358","13.233","0.002","8.0233","0.0005","14.282","0.002","90","","117.451","0.019","90","","1345.6","0.4","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","x-ray","0.71073","MoKα","","0.1366","0.0653","","","0.1348","0.1774","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036359","10.22","0.0012","19.2","0.002","13.365","0.0017","90","","94.569","0.008","90","","2614.2","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Fe N3 O2 S -","- C29 H29 Fe N3 O2 S -","- C116 H116 Fe4 N12 O8 S4 -","4","1","","Jiang, Shuang; Zhang, Tianyong; Zhang, Xia; Zhang, Guanghui; Li, Bin","Nitrogen heterocyclic carbene containing pentacoordinate iron dicarbonyl as a [Fe]-hydrogenase active site model.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16708","16712","10.1039/c5dt02065d","","","0.71075","MoKα","","0.0479","0.0427","","","0.1022","0.1056","","","","","","1.112","","","","has coordinates","161124","2020-10-21","18:00:00",""
"7036360","8.8952","0.0002","9.1463","0.0002","15.7704","0.0004","100.122","0.001","97.47","0.001","104.929","0.001","1199.55","0.05","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","8-(Dimesitylboryl)-N,N-dimethylnaphthalen-1-amine","","- C30 H34 B N -","- C30 H34 B N -","- C60 H68 B2 N2 -","2","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","x-ray","0.71073","MoKα","","0.0677","0.0528","","","0.1605","0.176","","","","","","1.031","","","","has coordinates","171275","2020-10-21","18:00:00",""
"7036361","12.1467","0.0005","10.7629","0.0005","16.8959","0.0008","90","","90","","90","","2208.86","0.17","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-(Difluoroboryl)-N,N-dimethylnaphthalen-1-amine","","- C12 H12 B F2 N -","- C12 H12 B F2 N -","- C96 H96 B8 F16 N8 -","8","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.0594","0.0505","","0.0781","0.0532","0.0499","","","","","","1.0244","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036362","10.38334","0.00018","11.57825","0.00019","14.9187","0.0003","90","","90","","90","","1793.54","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-amine","","- C20 H26 B N O2 -","- C20 H26 B N O2 -","- C80 H104 B4 N4 O8 -","4","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.0349","0.0319","","0.035","0.0344","0.0343","","","","","","1.1278","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036363","11.2629","0.0005","14.1537","0.0005","23.1015","0.0007","82.829","0.003","82.555","0.003","69.131","0.004","3399.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","N,N-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-ammonium trifluoromethanesulfonate","","- C21 H27 B F3 N O5 S -","- C21 H27 B F3 N O5 S -","- C126 H162 B6 F18 N6 O30 S6 -","6","3","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.1415","0.0819","","0.122","0.0868","0.0831","","","","","","1.0658","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036364","7.7848","0.0009","8.3548","0.001","13.5437","0.0014","101.869","0.002","103.288","0.003","99.358","0.003","818.35","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-(Dimethylammonium)-1,2-dihydroacenaphthylen-5-yl)trifluoroborate","","- C17 H21 B F3 N O -","- C17 H21 B F3 N O -","- C34 H42 B2 F6 N2 O2 -","2","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.0472","0.0366","","","0.0901","0.0973","","","","","","1.048","","","","has coordinates","171275","2020-10-21","18:00:00",""
"7036365","9.2908","0.0006","9.5397","0.0006","15.6546","0.001","97.351","0.002","101.4","0.002","105.609","0.002","1285.62","0.14","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","6-(Dimesitylboryl)-N,N-dimethyl-1,2-dihydroacenaphthylen-5-amine","","- C32 H36 B N -","- C32 H36 B N -","- C64 H72 B2 N2 -","2","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","x-ray","0.71073","MoKα","","0.0637","0.0477","","","0.1249","0.138","","","","","","1.05","","","","has coordinates","171275","2020-10-21","18:00:00",""
"7036366","11.5658","0.0012","10.1745","0.001","12.0844","0.0012","90","","117.252","0.003","90","","1264.2","0.2","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","6-(Dihydroxyboryl)-N,N-dimethyl-1,2-dihydroacenaphthylen-5-amine","","- C14 H16 B N O2 -","- C14 H16 B N O2 -","- C56 H64 B4 N4 O8 -","4","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","x-ray","0.71073","MoKα","","0.0698","0.051","","","0.139","0.154","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036367","10.4501","0.0008","29.6982","0.0017","11.674","0.0006","90","","97.774","0.006","90","","3589.7","0.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-6-(hydroxymesitylboryl)-1,2-dihydroacenaphthylen-5-amine","","- C41 H49 B2 N O2 -","- C41 H49 B2 N O2 -","- C164 H196 B8 N4 O8 -","4","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","x-ray","0.71073","MoKα","","0.0764","0.0562","","","0.1225","0.1335","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036368","12.9283","0.0004","10.0001","0.0002","20.1811","0.0007","90","","90","","90","","2609.1","0.13","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pyridino[4,3-c]-1,3-dihydro-1-hydroxy-3-mezytyl[2,1]oxaborole","","- C15 H16 B N O2 -","- C15 H16 B N O2 -","- C120 H128 B8 N8 O16 -","8","1","","Steciuk, I.; Durka, K.; Gontarczyk, K.; Dąbrowski, M; Luliński, S; Woźniak, K","Nitrogen-boron coordination versus OHN hydrogen bonding in pyridoxaboroles - aza analogues of benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16534","16546","10.1039/c5dt02402a","","x-ray","1.54184","CuKα","","0.0567","0.0469","","","0.1348","0.1476","","","","","","0.754","","","","has coordinates","161583","2020-10-21","18:00:00",""
"7036369","11.0022","0.0003","7.9623","0.0002","15.0557","0.0004","90","","110.381","0.003","90","","1236.35","0.06","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Fluoropyridino[4,3-c]-1,3-dihydro-1-hydroxy-3-(2?-methoxyphenyl)[2,1]oxaborole","","- C13 H11 B F N O3 -","- C13 H11 B F N O3 -","- C52 H44 B4 F4 N4 O12 -","4","1","","Steciuk, I.; Durka, K.; Gontarczyk, K.; Dąbrowski, M; Luliński, S; Woźniak, K","Nitrogen-boron coordination versus OHN hydrogen bonding in pyridoxaboroles - aza analogues of benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16534","16546","10.1039/c5dt02402a","","x-ray","1.54184","CuKα","","0.0437","0.0396","","","0.1036","0.1073","","","","","","1.063","","","","has coordinates","161583","2020-10-21","18:00:00",""
"7036370","18.784","0.005","16.65","0.005","15.453","0.004","90","","90","","90","","4833","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H26 I2 N4 O Pd -","- C21 H26 I2 N4 O Pd -","- C168 H208 I16 N32 O8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.0277","0.0271","","","0.0502","0.0504","","","","","","1.247","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036371","16.1205","0.0003","16.2538","0.0005","26.3092","0.0006","90","","90","","90","","6893.5","0.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H38 I2 N3 O P Pd -","- C35 H38 I2 N3 O P Pd -","- C280 H304 I16 N24 O8 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","x-ray","0.71073","MoKα","","0.0516","0.0323","","","0.0584","0.0644","","","","","","1.013","","","","has coordinates","161914","2020-10-21","18:00:00",""
"7036372","18.443","0.01","17.78","0.011","8.017","0.005","90","","110.425","0.007","90","","2464","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H28 I2 N4 O Pd -","- C22 H28 I2 N4 O Pd -","- C88 H112 I8 N16 O4 Pd4 -","4","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71073","MoKα","","0.0566","0.0559","","","0.1481","0.149","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036373","9.668","0.003","10.097","0.004","13.798","0.005","110.578","0.003","90.704","0.002","115.409","0.005","1117.6","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 I2 N4 Pd -","- C21 H20 I2 N4 Pd -","- C42 H40 I4 N8 Pd2 -","2","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.023","0.0185","","","0.0366","0.0376","","","","","","0.975","","","","has coordinates","161914","2020-10-21","18:00:00",""
"7036374","17.887","0.006","18.351","0.007","19.356","0.006","90","","90","","90","","6353","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 I2 N3 P Pd -","- C34 H30 I2 N3 P Pd -","- C272 H240 I16 N24 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.064","0.0575","","","0.0797","0.0816","","","","","","1.273","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036375","15.928","0.004","16.099","0.004","26.191","0.006","90","","90","","90","","6716","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H36 I2 N3 O P Pd -","- C34 H36 I2 N3 O P Pd -","- C272 H288 I16 N24 O8 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.0474","0.0463","","","0.0911","0.0915","","","","","","1.409","","","","has coordinates","161914","2020-10-21","18:00:00",""
"7036376","16.5015","0.0004","19.3631","0.0005","8.2474","0.0002","90","","90","","90","","2635.21","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H34 Cl6 N4 Pd -","- C17 H34 Cl6 N4 Pd -","- C68 H136 Cl24 N16 Pd4 -","4","0.5","","Bogojeski, Jovana; Volbeda, Jeroen; Freytag, Matthias; Tamm, Matthias; Bugarčić, Živadin D","Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17346","17359","10.1039/c5dt02307f","","","1.54184","CuKα","","0.0262","0.0246","","","0.0601","0.0612","","","","","","1.073","","","","has coordinates,has disorder","161217","2020-10-21","18:00:00",""
"7036377","14.8839","0.0003","28.4936","0.0009","30.6466","0.0009","90","","90","","90","","12997.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.25 H45 Cl2 N4 O Pd -","- C28 H40 Cl2 N4 O Pd -","- C448 H640 Cl32 N64 O16 Pd16 -","16","4","","Bogojeski, Jovana; Volbeda, Jeroen; Freytag, Matthias; Tamm, Matthias; Bugarčić, Živadin D","Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17346","17359","10.1039/c5dt02307f","","","1.54184","CuKα","","0.0402","0.0376","","","0.0877","0.089","","","","","","1.052","","","","has coordinates","161217","2020-10-21","18:00:00",""
"7036378","10.9748","0.0002","17.4692","0.0002","13.3874","0.0002","90","","101.23","0.001","90","","2517.5","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C21 H16 N3 Nd2 O15.50","","","- C21 H16 N3 Nd2 O15.5 -","- C21 H15 N3 Nd2 O15.5 -","- C84 H60 N12 Nd8 O62 -","4","1","","de Jesus, Roberta Anjos; da Luz, Leonis Lourenço; Santos, Danilo Oliveira; Costa, José Arnaldo Santana; Navickiene, Sandro; Gatto, Claudia Cristina; Júnior, Severino Alves; de Mesquita, Maria Eliane","Dual emission tunable in the near-infrared (NIR) and visible (VIS) spectral range by mix-LnMOF.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17318","17325","10.1039/c5dt01920f","","","0.71073","MoKα","","0.0324","0.0244","","","0.0485","0.0515","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036379","10.9763","0.0002","17.4706","0.0004","13.3915","0.0003","90","","101.237","0.001","90","","2518.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C21 H16 Eu2 N3 O15.50","","","- C21 H16 Eu2 N3 O15.5 -","- C21 H15 Eu2 N3 O15.5 -","- C84 H60 Eu8 N12 O62 -","4","1","","de Jesus, Roberta Anjos; da Luz, Leonis Lourenço; Santos, Danilo Oliveira; Costa, José Arnaldo Santana; Navickiene, Sandro; Gatto, Claudia Cristina; Júnior, Severino Alves; de Mesquita, Maria Eliane","Dual emission tunable in the near-infrared (NIR) and visible (VIS) spectral range by mix-LnMOF.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17318","17325","10.1039/c5dt01920f","","","0.71073","MoKα","","0.0378","0.0295","","","0.0689","0.0725","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036380","7.626","0.008","8.518","0.009","7.457","0.008","90","","106.8","0.03","90","","463.7","0.9","86","2","86","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Dioxygen_difluoride","Dioxygen_difluoride","","- F2 O2 -","- F2 O2 -","- F16 O16 -","8","2","","Marx, Rupert; Seppelt, Konrad","Structure investigations on oxygen fluorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19659","19662","10.1039/c5dt02247a","","","0.71073","MoKα","","0.0333","0.0271","","","0.0703","0.0732","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036381","5.585","0.003","9.744","0.007","9.784","0.006","112.28","0.05","100.09","0.05","102.6","0.05","460.8","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","Dioxygenyl_hexafluorido_palladate","Dioxygenyl trihydrogen dodecafluorido dipalladate","","- F12 H3 O2 Pd2 -","- F12 H3 O2 Pd2 -","- F24 H6 O4 Pd4 -","2","1","","Marx, Rupert; Seppelt, Konrad","Structure investigations on oxygen fluorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19659","19662","10.1039/c5dt02247a","","","0.71073","MoKα","","0.026","0.022","","","0.0521","0.0541","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036382","10.246","0.004","10.131","0.004","11.645","0.004","90","","91.857","0.004","90","","1208.1","0.8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-fluoro-4,5,6,7-tetrahydro-3aH-indene","","","- C16 H17 F -","- C16 H17 F -","- C64 H68 F4 -","4","1","","Fujita, Takeshi; Arita, Tomohiro; Ichitsuka, Tomohiro; Ichikawa, Junji","Catalytic defluorinative [3 + 2] cycloaddition of trifluoromethylalkenes with alkynes via reduction of nickel(ii) fluoride species.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19460","19463","10.1039/c5dt02160j","","","0.71073","MoKα","","0.0633","0.0449","","","0.0973","0.1065","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036383","26.8944","0.0019","14.716","0.001","20.123","0.0014","90","","101.846","0.0013","90","","7794.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 Cl N O3 W -","- C38 H62 Cl N O3 W -","- C304 H496 Cl8 N8 O24 W8 -","8","1","","VenkatRamani, Sudarsan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","A new ONO(3-) trianionic pincer ligand with intermediate flexibility and its tungsten alkylidene and alkylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18475","18486","10.1039/c5dt02911b","","","0.71073","MoKα","","0.0297","0.0266","","","0.0622","0.0632","","","","","","1.128","","","","has coordinates,has disorder","171268","2020-10-21","18:00:00",""
"7036384","14.1363","0.0003","17.4732","0.0004","22.8371","0.0004","90","","99.3665","0.0011","90","","5565.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H84 N O3 P W -","- C57 H78 N O3 P W -","- C228 H312 N4 O12 P4 W4 -","4","1","","VenkatRamani, Sudarsan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","A new ONO(3-) trianionic pincer ligand with intermediate flexibility and its tungsten alkylidene and alkylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18475","18486","10.1039/c5dt02911b","","","0.71073","MoKα","","0.0404","0.0284","","","0.0652","0.0678","","","","","","0.984","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036385","10.1118","0.001","28.201","0.003","15.4709","0.0013","90","","127.177","0.005","90","","3515.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br F N2 Pt -","- C18 H20 Br F N2 Pt -","- C144 H160 Br8 F8 N16 Pt8 -","8","2","","Aullón, Gabriel; Crespo, Margarita; Font-Bardia, Mercè; Jover, Jesús; Martínez, Manuel; Pike, Jack","A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17968","17979","10.1039/c5dt02657a","","","0.71073","MoKα","","0.0557","0.039","","","0.0593","0.0642","","","","","","1.113","","","","has coordinates","171181","2020-10-21","18:00:00",""
"7036386","27.163","0.002","15.4717","0.0011","13.4316","0.0011","90","","109.882","0.003","90","","5308.3","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Br Cl2 F N2 Pt -","- C26 H30 Br Cl2 F N2 Pt -","- C208 H240 Br8 Cl16 F8 N16 Pt8 -","8","1","","Aullón, Gabriel; Crespo, Margarita; Font-Bardia, Mercè; Jover, Jesús; Martínez, Manuel; Pike, Jack","A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17968","17979","10.1039/c5dt02657a","","","0.71073","MoKα","","0.0738","0.0569","","","0.105","0.112","","","","","","1.097","","","","has coordinates","171181","2020-10-21","18:00:00",""
"7036387","26.7638","0.0014","13.0691","0.0007","15.8211","0.0008","90","","117.052","0.002","90","","4928.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Br F N2 Pt -","- C25 H28 Br F N2 Pt -","- C200 H224 Br8 F8 N16 Pt8 -","8","1","","Aullón, Gabriel; Crespo, Margarita; Font-Bardia, Mercè; Jover, Jesús; Martínez, Manuel; Pike, Jack","A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17968","17979","10.1039/c5dt02657a","","","0.71073","MoKα","","0.0883","0.0562","","","0.0969","0.1094","","","","","","1.045","","","","has coordinates","171181","2020-10-21","18:00:00",""
"7036388","11.731","0.004","7.423","0.002","11.188","0.004","90","","93.655","0.003","90","","972.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-1,2,3-triazol-5-amide","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","","Izsák, Dániel; Klapötke, Thomas M; Pflüger, Carolin","Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17054","17063","10.1039/c5dt03044g","","","0.71073","MoKα","","0.0376","0.0318","","","0.0758","0.0802","","","","","","1.063","","","","has coordinates","161176","2020-10-21","18:00:00",""
"7036389","6.9019","0.0004","11.6423","0.0007","8.0685","0.0004","90","","113.881","0.002","90","","592.83","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole","5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole","","- C3 H4 N8 -","- C3 H4 N8 -","- C12 H16 N32 -","4","1","","Izsák, Dániel; Klapötke, Thomas M; Pflüger, Carolin","Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17054","17063","10.1039/c5dt03044g","","","0.71073","MoKα","","0.0382","0.0323","","","0.0868","0.0903","","","","","","1.085","","","","has coordinates","161176","2020-10-21","18:00:00",""
"7036390","6.7015","0.0003","18.7764","0.0008","8.4556","0.0005","90","","101.755","0.005","90","","1041.65","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cu N8 O7 -","- C16 H24 Cu N8 O7 -","- C32 H48 Cu2 N16 O14 -","2","1","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.0419","0.0358","","","0.0868","0.0908","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036391","8.7755","0.0009","11.4427","0.0006","12.764","0.0008","82.939","0.005","70.893","0.007","88.924","0.006","1201.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H23 Cu2 I2 N7 Ni O -","- C17 H23 Cu2 I2 N7 Ni O -","- C34 H46 Cu4 I4 N14 Ni2 O2 -","2","1","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.1186","0.0623","","","0.1175","0.1401","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036392","7.9826","0.0004","12.5733","0.0005","13.7208","0.0005","79.779","0.003","83.639","0.004","82.562","0.004","1338.41","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 Cu11 N21 -","- C37 H32 Cu11 N21 -","- C37 H32 Cu11 N21 -","1","0.5","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.091","0.0715","","","0.2117","0.2223","","","","","","1.162","","","","has coordinates,has disorder","161186","2020-10-21","18:00:00",""
"7036393","8.0519","0.0006","12.4494","0.0009","13.6971","0.001","79.532","0.006","83.882","0.006","82.718","0.006","1334.35","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H32 Cu9 N21 Ni2 -","- C37 H32 Cu9 N21 Ni2 -","- C37 H32 Cu9 N21 Ni2 -","1","0.5","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.1499","0.0836","","","0.232","0.2707","","","","","","1.054","","","","has coordinates,has disorder","161186","2020-10-21","18:00:00",""
"7036394","14.191","","21.044","","15.41","","90","","90","","90","","4601.97","","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C21 H18 Cu2 I2 N4 -","- C21 H18 Cu2 I2 N4 -","- C168 H144 Cu16 I16 N32 -","8","","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.0297","0.0245","","","0.0587","0.0617","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036395","7.9065","0.0005","14.5215","0.0009","19.1809","0.0012","67.981","0.003","82.406","0.004","86.889","0.003","2023.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H63 N2 O6 V -","- C40 H63 N2 O6 V -","- C80 H126 N4 O12 V2 -","2","1","","Maurya, Mannar R.; Uprety, Bhawna; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, J.","Vanadium(v) complexes of a tripodal ligand, their characterisation and biological implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17736","17755","10.1039/c5dt02716k","","","0.71073","MoKα","","0.0712","0.0502","","","0.138","0.1573","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036396","10.4981","0.0008","35.614","0.003","19.4718","0.0015","90","","94.682","0.001","90","","7255.8","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66.5 Mo5 N14 Ni2 O34.25 P2 -","- C48 H56 Mo5 N14 Ni2 O34.25 P2 -","- C192 H224 Mo20 N56 Ni8 O137 P8 -","4","1","","Dong, Yayu; Xu, Xiao; Zhou, Guangpeng; Miao, Hao; Hu, GongHao; Xu, Yan","Three novel polyoxoanion-supported compounds: confinement of polyoxoanions in Ni-containing rigid concave surfaces with enhanced NLO properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18347","18353","10.1039/c5dt02710a","","","0.71073","MoKα","","0.0646","0.0419","","","0.104","0.1119","","","","","","1.103","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036397","13.907","0.002","24.215","0.004","24.31","0.004","90","","101.604","0.002","90","","8019","2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H55 Mo12 N14 Ni2 O46.5 P -","- C48 H42 Mo12 N14 Ni2 O46.5 P -","- C192 H168 Mo48 N56 Ni8 O186 P4 -","4","2","","Dong, Yayu; Xu, Xiao; Zhou, Guangpeng; Miao, Hao; Hu, GongHao; Xu, Yan","Three novel polyoxoanion-supported compounds: confinement of polyoxoanions in Ni-containing rigid concave surfaces with enhanced NLO properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18347","18353","10.1039/c5dt02710a","","","0.71073","MoKα","","0.0586","0.0428","","","0.0946","0.1018","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036398","10.787","0.008","12.279","0.009","15.855","0.011","91.471","0.009","104.183","0.009","110.064","0.008","1899","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Mo8 N14 Ni2 O35 -","- C48 H54 Mo8 N14 Ni2 O35 -","- C48 H54 Mo8 N14 Ni2 O35 -","1","0.5","","Dong, Yayu; Xu, Xiao; Zhou, Guangpeng; Miao, Hao; Hu, GongHao; Xu, Yan","Three novel polyoxoanion-supported compounds: confinement of polyoxoanions in Ni-containing rigid concave surfaces with enhanced NLO properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18347","18353","10.1039/c5dt02710a","","","0.71073","MoKα","","0.0734","0.0468","","","0.1164","0.1338","","","","","","1.01","","","","has coordinates,has disorder","171286","2020-10-21","18:00:00",""
"7036399","21.4058","0.0009","21.4058","0.0009","35.1534","0.0016","90","","90","","90","","16107.6","1.2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34.25 H50.5 Cl6.5 Fe N4 -","- C34.25 H50.5 Cl6.5 Fe N4 -","- C548 H808 Cl104 Fe16 N64 -","16","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","0.71073","MoKα","","0.0559","0.0433","","","0.1152","0.1253","","","","","","1.078","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036400","21.3621","0.0004","21.3621","0.0004","35.3633","0.0007","90","","90","","90","","16137.7","0.5","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34 H50 Cl6 Fe N4 -","- C34 H50 Cl6 Fe N4 -","- C544 H800 Cl96 Fe16 N64 -","16","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","1.54178","CuKα","","0.0455","0.0415","","","0.1133","0.117","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036401","21.4369","0.0004","21.4369","0.0004","35.4666","0.0008","90","","90","","90","","16298.3","0.6","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34 H50 Cl6 Fe N4 -","- C34 H50 Cl6 Fe N4 -","- C544 H800 Cl96 Fe16 N64 -","16","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","1.54178","CuKα","","0.0484","0.0425","","","0.1148","0.1198","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036402","21.5767","0.0007","21.5767","0.0007","35.5041","0.0014","90","","90","","90","","16529.1","1","250","2","250","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34 H50 Cl6 Fe N4 -","- C34 H50 Cl6 Fe N4 -","- C544 H800 Cl96 Fe16 N64 -","16","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","1.54178","CuKα","","0.0639","0.052","","","0.145","0.1557","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036403","18.6409","0.0008","13.2744","0.0006","18.8709","0.0008","90","","115.405","0.002","90","","4218","0.3","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cl2 F4 Fe N4 -","- C32 H46 B Cl2 F4 Fe N4 -","- C128 H184 B4 Cl8 F16 Fe4 N16 -","4","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","0.71073","MoKα","","0.0771","0.045","","","0.1036","0.112","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036404","18.7737","0.0006","13.2189","0.0005","18.9231","0.0006","90","","115.784","0.002","90","","4228.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cl2 F4 Fe N4 -","- C32 H46 B Cl2 F4 Fe N4 -","- C128 H184 B4 Cl8 F16 Fe4 N16 -","4","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","0.71073","MoKα","","0.0863","0.0465","","","0.1045","0.1136","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036405","18.8421","0.0007","13.3315","0.0005","18.9846","0.0007","90","","115.841","0.002","90","","4292","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cl2 F4 Fe N4 -","- C32 H46 B Cl2 F4 Fe N4 -","- C128 H184 B4 Cl8 F16 Fe4 N16 -","4","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","1.54178","CuKα","","0.0452","0.0389","","","0.1027","0.1062","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036406","19.0241","0.0011","13.378","0.0009","19.0251","0.0012","90","","116.142","0.003","90","","4346.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cl2 F4 Fe N4 -","- C32 H46 B Cl2 F4 Fe N4 -","- C128 H184 B4 Cl8 F16 Fe4 N16 -","4","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","0.71073","MoKα","","0.1027","0.0523","","","0.1285","0.1419","","","","","","0.94","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036407","19.2475","0.0003","13.5333","0.0002","19.2087","0.0002","90","","116.913","0.001","90","","4461.62","0.11","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cl2 F4 Fe N4 -","- C32 H46 B Cl2 F4 Fe N4 -","- C128 H184 B4 Cl8 F16 Fe4 N16 -","4","1","","Drake, Jessica L.; Kaplan, Hilan Z.; Wilding, Matthew J. T.; Li, Bo; Byers, Jeffery A.","Spin transitions in bis(amidinato)-N-heterocyclic carbene iron(ii) and iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16703","16707","10.1039/c5dt02440d","","","1.54178","CuKα","","0.0821","0.0473","","","0.1236","0.1352","","","","","","0.961","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036408","11.7831","0.0002","13.8328","0.0003","17.5603","0.0003","90","","94.139","0.002","90","","2854.75","0.09","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-tricarbonyl(1,10 phenanthroline)(9H-pyrido[3,4-b]indole)rhenium(I) trifluoromethanesulfonate hemihydrate","","- C27 H16 F3 N4 O6 Re S -","- C27 H16 F3 N4 O6 Re S -","- C108 H64 F12 N16 O24 Re4 S4 -","4","1","","Maisuls, Iván; Wolcan, Ezequiel; Piro, Oscar E.; Etcheverría, Gustavo A; Petroselli, Gabriela; Erra-Ballsels, Rosa; Cabrerizo, Franco M.; Ruiz, Gustavo T.","Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17064","17074","10.1039/c5dt02790j","","x-ray","0.71073","MoKα","","0.0441","0.0305","","","0.0773","0.0834","","","","","","1.053","","","","has coordinates","161155","2020-10-21","18:00:00",""
"7036409","15.166","0.0009","15.166","0.0009","9.98","0.0007","90","","90","","120","","1987.9","0.2","295","2","295","2","","","","","","","","7","P 31","P 31","144","","fac-tricarbonyl(2,2' bipyridine)(9H-pyrido[3,4-b]indole)rhenium(I) trifluoromethanesulfonate","","- C25 H16 F3 N4 O6 Re S -","- C25 H16 F3 N4 O6 Re S -","- C75 H48 F9 N12 O18 Re3 S3 -","3","1","","Maisuls, Iván; Wolcan, Ezequiel; Piro, Oscar E.; Etcheverría, Gustavo A; Petroselli, Gabriela; Erra-Ballsels, Rosa; Cabrerizo, Franco M.; Ruiz, Gustavo T.","Norharmane rhenium(i) polypyridyl complexes: synthesis, structural and spectroscopic characterization.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17064","17074","10.1039/c5dt02790j","","","0.71073","MoKα","","0.0648","0.0537","","","0.139","0.1457","","","","","","0.984","","","","has coordinates","161155","2020-10-21","18:00:00",""
"7036410","6.341","0.006","6.702","0.004","10.779","0.009","90","","98.37","0.03","90","","453.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cu Gd2 O12 S2 -","- Cu Gd2 O12 S2 -","- Cu2 Gd4 O24 S4 -","2","0.5","","Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Yang, Ming; Xiang, Hongping; He, Zhangzhen","Gd2Cu(SO4)2(OH)4: a 3d-4f hydroxysulfate with an enhanced cryogenic magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17026","17029","10.1039/c5dt03294f","","","0.71073","MoKα","","0.0308","0.0285","","","0.0709","0.0721","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036411","11.2867","0.0002","14.108","0.0003","29.1927","0.0007","90","","90","","90","","4648.43","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H30 Cl4 N4 O12 Re2 -","- C42 H30 Cl4 N4 O12 Re2 -","- C168 H120 Cl16 N16 O48 Re8 -","4","0.5","","Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala","Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17629","17638","10.1039/c5dt02205c","","","0.71073","MoKα","","0.0736","0.0602","","","0.1605","0.1685","","","","","","1.094","","","","has coordinates","161885","2020-10-21","18:00:00",""
"7036412","18.7142","0.0004","17.8406","0.0003","22.0857","0.0006","90","","111.555","0.002","90","","6858.1","0.3","120","10","120","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 N4 O12 Re2 -","- C34 H22 N4 O12 Re2 -","- C272 H176 N32 O96 Re16 -","8","2","","Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala","Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17629","17638","10.1039/c5dt02205c","","","0.71073","MoKα","","0.0435","0.0373","","","0.0938","0.0987","","","","","","1.063","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7036413","10.8506","0.0004","13.0413","0.0004","14.1715","0.0006","68.875","0.003","71.963","0.004","88.975","0.003","1768.7","0.13","121","2","121","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N4 O12 Re2 -","- C36 H26 N4 O12 Re2 -","- C72 H52 N8 O24 Re4 -","2","1","","Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala","Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17629","17638","10.1039/c5dt02205c","","","0.71073","MoKα","","0.041","0.0272","","","0.0514","0.0554","","","","","","1.024","","","","has coordinates,has disorder","161885","2020-10-21","18:00:00",""
"7036414","12.0831","0.0003","10.9522","0.0003","27.2281","0.0006","90","","99.326","0.003","90","","3555.65","0.16","150","0.14","150","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N4 O12 Re2 -","- C36 H25.142 N4 O12 Re2 -","- C144 H100.568 N16 O48 Re8 -","4","1","","Ramakrishna, Buthanapalli; Nagarajaprakash, R.; Veena, V.; Sakthivel, N.; Manimaran, Bala","Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17629","17638","10.1039/c5dt02205c","","","0.71073","MoKα","","0.0411","0.0293","","","0.0571","0.0613","","","","","","1.126","","","","has coordinates,has disorder","161885","2020-10-21","18:00:00",""
"7036418","8.1003","0.0007","8.6911","0.0007","20.2616","0.0017","90","","90","","90","","1426.4","0.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","5","","","- C13 H11 Cu N3 O4 S -","- C13 H11 Cu N3 O4 S -","- C52 H44 Cu4 N12 O16 S4 -","4","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.022","0.0203","","","0.0546","0.0553","","","","","","1.14","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036419","7.102","0.005","9.142","0.005","20.944","0.0012","90","","90","","90","","1359.8","1.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[2-methylsulfanyl phenyl]pyridine-2-carboxamide nitrate copper(II)","","","- C13 H11 Cu N3 O4 S -","- C13 H11 Cu N3 O4 S -","- C52 H44 Cu4 N12 O16 S4 -","4","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.0164","0.0158","","","0.0422","0.0424","","","","","","1.039","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036420","7.7724","0.00014","9.2706","0.0017","10.851","0.002","105.763","0.002","101.288","0.002","90.422","0.003","736.39","0.19","90","2","90","2","","","","","","","","6","P 1","P 1","1","RM-6","","","- C26 H22 Cu2 N6 O10 S2 -","- C26 H22 Cu2 N6 O10 S2 -","- C26 H22 Cu2 N6 O10 S2 -","1","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.7749","synchrotron","","0.0477","0.0462","","","0.1214","0.1228","","","","","","1.035","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036421","8.8284","0.0012","8.0746","0.0011","12.3897","0.0016","90","","99.54","0.002","90","","871","0.2","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","4","","","- C15 H14 Cl Cu N3 O6 S -","- C15 H14 Cl Cu N3 O6 S -","- C30 H28 Cl2 Cu2 N6 O12 S2 -","2","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.0208","0.0198","","","0.0492","0.0496","","","","","","1.04","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036422","11.913","0.002","12.215","0.002","13.877","0.003","108.44","0.03","93.66","0.03","111.61","0.03","1743.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Cl2 N4 O4 Zn -","- C24 H12 Cl2 N4 O4 Zn -","- C48 H24 Cl4 N8 O8 Zn2 -","2","1","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","The impact of lone pair-π interactions on photochromic properties in 1-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17312","17317","10.1039/c5dt02970h","","","0.71073","MoKα","","0.0598","0.0516","","","0.145","0.1525","","","","","","1.004","","","","has coordinates","161228","2020-10-21","18:00:00",""
"7036423","12.002","0.002","12.17","0.002","14.13","0.003","108.73","0.03","93.8","0.03","112.58","0.03","1761.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Br2 N4 O4 Zn -","- C24 H12 Br2 N4 O4 Zn -","- C48 H24 Br4 N8 O8 Zn2 -","2","1","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","The impact of lone pair-π interactions on photochromic properties in 1-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17312","17317","10.1039/c5dt02970h","","","0.71073","MoKα","","0.0833","0.0696","","","0.2045","0.2181","","","","","","1.009","","","","has coordinates","161228","2020-10-21","18:00:00",""
"7036424","11.893","0.002","12.193","0.002","14.724","0.003","110.32","0.03","93.68","0.03","112.89","0.03","1794.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 I2 N4 O4 Zn -","- C24 H12 I2 N4 O4 Zn -","- C48 H24 I4 N8 O8 Zn2 -","2","1","","Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","The impact of lone pair-π interactions on photochromic properties in 1-D naphthalene diimide coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17312","17317","10.1039/c5dt02970h","","","0.71073","MoKα","","0.0843","0.0583","","","0.1585","0.1752","","","","","","1.068","","","","has coordinates","161228","2020-10-21","18:00:00",""
"7036425","8.3747","0.0017","13.005","0.003","10.693","0.002","90","","90.68","0.03","90","","1164.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl2 Mn2 N11 O4 -","- C17 H17 Cl2 Mn2 N11 O4 -","- C34 H34 Cl4 Mn4 N22 O8 -","2","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0399","0.0377","","","0.0834","0.0852","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036426","18.489","0.004","18.973","0.004","20.929","0.004","112.87","0.03","100.08","0.03","99.89","0.03","6423","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H54 Cl4 Mn8 N66 -","- C102 H54 Cl4 Mn8 N66 -","- C204 H108 Cl8 Mn16 N132 -","2","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.1353","0.0978","","","0.2917","0.3289","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036427","12.018","0.002","16.358","0.003","15.613","0.003","90","","106.11","0.03","90","","2948.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Mn2 N11 O8 -","- C25 H21 Mn2 N11 O8 -","- C100 H84 Mn8 N44 O32 -","4","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.1422","0.0823","","","0.1624","0.1946","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036428","12.325","0.003","16.317","0.003","15.585","0.003","90","","104.6","0.03","90","","3033","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Mn2 N11 O8 -","- C26 H23 Mn2 N11 O8 -","- C104 H92 Mn8 N44 O32 -","4","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0971","0.0789","","","0.2114","0.2301","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036429","9.767","0.002","13.32","0.003","22.662","0.005","89.07","0.03","88.35","0.03","82.39","0.03","2920.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H24 Br3 Mn4 N11 O15 -","- C41 H24 Br3 Mn4 N11 O15 -","- C82 H48 Br6 Mn8 N22 O30 -","2","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0724","0.058","","","0.1523","0.163","","","","","","0.99","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036430","16.001","0.003","10.142","0.002","19.287","0.004","90","","101.27","0.03","90","","3069.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Mn2 N11 O10 -","- C26 H21 Mn2 N11 O10 -","- C104 H84 Mn8 N44 O40 -","4","1","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0679","0.0594","","","0.1487","0.1564","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036431","24.053","0.004","24.053","0.004","9.307","0.003","90","","90","","90","","5385","2","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C92 H72 Mn8 N44 O30 S4 -","- C92 H72 Mn8 N44 O30 S4 -","- C184 H144 Mn16 N88 O60 S8 -","2","0.25","","Qin, Jian-Hua; Wang, Hua-Rui; Pan, Qi; Zang, Shuang-Quan; Hou, Hongwei; Fan, Yaoting","Influence of ionic liquids on the syntheses and structures of Mn(ii) coordination polymers based on multidentate N-heterocyclic aromatic ligands and bridging carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17639","17651","10.1039/c5dt03026a","","","0.71073","MoKα","","0.0731","0.0485","","","0.1226","0.1379","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036432","16.568","0.003","13.671","0.003","29.949","0.01","90","","111.38","0.03","90","","6317","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cl2 Mn N10 O15 -","- C60 H64 Cl2 Mn N10 O15 -","- C240 H256 Cl8 Mn4 N40 O60 -","4","1","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.1164","0.0959","","","0.241","0.2565","","","","","","1.167","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036433","13.666","0.003","13.939","0.003","20.703","0.004","90","","90","","90","","3943.7","1.4","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H94 Co2 N16 O43 P4 -","- C60 H94 Co2 N16 O43 P4 -","- C120 H188 Co4 N32 O86 P8 -","2","0.5","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0781","0.0645","","","0.1679","0.1803","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036434","9.264","0.0019","12.02","0.002","13.833","0.003","90","","106.95","0.03","90","","1473.4","0.6","153.15","0.02","153.15","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H36 Mn N5 O15 P -","- C21 H36 Mn N5 O15 P -","- C42 H72 Mn2 N10 O30 P2 -","2","1","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0497","0.0394","","","0.0686","0.0725","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036435","13.87","0.003","14.057","0.003","20.78","0.005","90","","90","","90","","4051.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H94 Mn2 N16 O43 P4 -","- C60 H94 Mn2 N16 O43 P4 -","- C120 H188 Mn4 N32 O86 P8 -","2","0.5","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0977","0.0609","","","0.1432","0.1627","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036436","12.048","0.003","14.749","0.004","15.152","0.004","89.745","0.004","72.994","0.004","84.012","0.005","2559.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl4 Co3 N11 O4 -","- C42 H42 Cl4 Co3 N11 O4 -","- C84 H84 Cl8 Co6 N22 O8 -","2","1","","Srivastava, Sumit; Dagur, Manvender S.; Ali, Afsar; Gupta, Rajeev","Trinuclear {Co(2+)-M(3+)-Co(2+)} complexes catalyze reduction of nitro compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17453","17461","10.1039/c5dt03442f","","","0.71073","MoKα","","0.121","0.0765","","","0.1956","0.2195","","","","","","1.068","","","","has coordinates","161880","2020-10-21","18:00:00",""
"7036437","12.0632","0.0008","14.8156","0.0009","15.2289","0.0012","89.271","0.005","73.261","0.006","84.058","0.005","2592","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cl4 Co2 Fe N11 O8 -","- C42 H42 Cl4 Co2 Fe N11 O8 -","- C84 H84 Cl8 Co4 Fe2 N22 O16 -","2","1","","Srivastava, Sumit; Dagur, Manvender S.; Ali, Afsar; Gupta, Rajeev","Trinuclear {Co(2+)-M(3+)-Co(2+)} complexes catalyze reduction of nitro compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17453","17461","10.1039/c5dt03442f","","","0.71073","MoKα","","0.1394","0.0611","","","0.1387","0.1555","","","","","","0.881","","","","has coordinates,has disorder","161880","2020-10-21","18:00:00",""
"7036440","14.8247","0.0008","45.237","0.002","18.8324","0.0009","90","","103.371","0.001","90","","12287.1","1","296","2","296.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H86 Cs Mo12 N6 Na9 Ni6 O101 P8 -","- C18 H30 Cs Mo12 N6 Na9 Ni6 O101 P8 -","- C72 H120 Cs4 Mo48 N24 Na36 Ni24 O404 P32 -","4","0.5","","Sun, Xiaopeng; Liang, Zhijie; Ma, Pengtao; Ban, Ran; Jiang, Mingshuang; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang","Grafting transition metal-organophosphonate fragments onto heteropolyoxomolybdate: activity in photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17544","17550","10.1039/c5dt02471d","","","0.71073","MoKα","","0.0554","0.0439","","","0.1332","0.1445","","","","","","1.048","","","","has coordinates","161944","2020-10-21","18:00:00",""
"7036441","13.3025","0.0003","9.63428","0.00015","6.65115","0.00017","90","","90","","90","","852.41","0.03","298","","298","","","","","","","","","3","F m m m","-F 2 2","69","Trisodium plutonate","NA3PuO4","","- Na3 O4 Pu -","- Na3 O4 Pu -","- Na24 O32 Pu8 -","8","0.25","","Smith, A. L.; Raison, P. E.; Hen, A.; Bykov, D.; Colineau, E.; Sanchez, J.-P.; Konings, R. J. M.; Cheetham, A. K.","Structural investigation of Na3NpO4 and Na3PuO4 using X-ray diffraction and (237)Np Mössbauer spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18370","18377","10.1039/c5dt02168e","powder diffraction","","1.5406","CuKα","","","","","","","","","8.0768","1.23919","","","","","","","has coordinates","171287","2020-10-21","18:00:00",""
"7036442","13.35297","0.00007","9.62866","0.00004","6.67291","0.00003","90","","90","","90","","857.944","0.007","298","","298","","","","","","","","","3","F m m m","-F 2 2","69","Trisodium neptunate","Na3NpO4","","- Na3 Np O4 -","- Na3 Np O4 -","- Na24 Np8 O32 -","8","0.25","","Smith, A. L.; Raison, P. E.; Hen, A.; Bykov, D.; Colineau, E.; Sanchez, J.-P.; Konings, R. J. M.; Cheetham, A. K.","Structural investigation of Na3NpO4 and Na3PuO4 using X-ray diffraction and (237)Np Mössbauer spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18370","18377","10.1039/c5dt02168e","powder diffraction","","1.5406","CuKα","","","","","","","","","7.7403","2.0811","","","","","","","has coordinates","171287","2020-10-21","18:00:00",""
"7036443","6.572","0.0006","9.0667","0.0007","10.3877","0.0007","103.633","0.006","103.439","0.007","104.924","0.007","552.2","0.09","566","2","566.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H7 Cl N3 O3 Re -","- C8 H7 Cl N3 O3 Re -","- C16 H14 Cl2 N6 O6 Re2 -","2","1","","Gómez-Iglesias, Patricia; Guyon, Fabrice; Khatyr, Abderrahim; Ulrich, Gilles; Knorr, Michael; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Luminescent rhenium(i) tricarbonyl complexes with pyrazolylamidino ligands: photophysical, electrochemical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17516","17528","10.1039/c5dt02793d","","x-ray","1.54184","CuKα","","0.0551","0.0473","","","0.1032","0.11","","","","","","1.066","","","","has coordinates","161969","2020-10-21","18:00:00",""
"7036444","11.7779","0.0011","16.2401","0.0012","10.3889","0.0009","90","","110.011","0.01","90","","1867.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.2 H17.4 Cl N3 O3.8 Re -","- C13.2 H17.4 Cl N3 O3.8 Re -","- C52.8 H69.6 Cl4 N12 O15.2 Re4 -","4","1","","Gómez-Iglesias, Patricia; Guyon, Fabrice; Khatyr, Abderrahim; Ulrich, Gilles; Knorr, Michael; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Luminescent rhenium(i) tricarbonyl complexes with pyrazolylamidino ligands: photophysical, electrochemical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17516","17528","10.1039/c5dt02793d","","x-ray","0.71073","MoKα","","0.1388","0.0887","","","0.2417","0.3216","","","","","","1.09","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036445","8.1347","0.0002","14.0546","0.0004","19.7121","0.0006","90","","99.02","0.003","90","","2225.81","0.11","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br N3 O4 Re -","- C19 H21 Br N3 O4 Re -","- C76 H84 Br4 N12 O16 Re4 -","4","1","","Gómez-Iglesias, Patricia; Guyon, Fabrice; Khatyr, Abderrahim; Ulrich, Gilles; Knorr, Michael; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Luminescent rhenium(i) tricarbonyl complexes with pyrazolylamidino ligands: photophysical, electrochemical, and computational studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17516","17528","10.1039/c5dt02793d","","x-ray","0.71073","MoKα","","0.0565","0.036","","","0.0633","0.0727","","","","","","1.016","","","","has coordinates,has disorder","161969","2020-10-21","18:00:00",""
"7036446","8.704","0.005","8.704","0.005","37.5","0.005","90","","90","","90","","2841","2","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C64 H46 Cd2 N16 O9 -","- C64 H44 Cd2 N16 O9 -","- C128 H88 Cd4 N32 O18 -","2","0.5","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Su, Zhong-Min","Spontaneous chiral resolution of a rare 3D self-penetration coordination polymer for sensitive aqueous-phase detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18386","18394","10.1039/c5dt03218k","","","0.71069","MoKα","","0.0208","0.0198","","","0.0542","0.0546","","","","","","1.144","","","","has coordinates,has disorder","171264","2020-10-21","18:00:00",""
"7036447","8.708","0.005","8.708","0.005","37.495","0.005","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C64 H46 Cd2 N16 O9 -","- C64 H44 Cd2 N16 O9 -","- C128 H88 Cd4 N32 O18 -","2","0.5","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Su, Zhong-Min","Spontaneous chiral resolution of a rare 3D self-penetration coordination polymer for sensitive aqueous-phase detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18386","18394","10.1039/c5dt03218k","","","0.71069","MoKα","","0.0288","0.0245","","","0.0522","0.0537","","","","","","1.052","","","","has coordinates,has disorder","171264","2020-10-21","18:00:00",""
"7036448","7.7948","0.0002","12.316","0.0003","17.2656","0.0004","90","","102.812","0.002","90","","1616.24","0.07","119.99","0.1","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline)-dibromido-cobalt(II)","","- C18 H12 Br2 Co N2 -","- C18 H12 Br2 Co N2 -","- C72 H48 Br8 Co4 N8 -","4","1","","Smolko, L.; Černák, J; Dušek, M; Miklovič, J; Titiš, J; Boča, R","Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17565","17571","10.1039/c5dt02827b","","x-ray","1.54184","CuKα","","0.0226","0.0202","","","0.0247","0.0258","","","","1.09","1.09","1.1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036449","7.8402","0.0003","12.2014","0.0004","16.8762","0.0006","90","","104.098","0.004","90","","1565.78","0.1","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline)-dichlorido-cobalt(II)","","- C18 H12 Cl2 Co N2 -","- C18 H12 Cl2 Co N2 -","- C72 H48 Cl8 Co4 N8 -","4","1","","Smolko, L.; Černák, J; Dušek, M; Miklovič, J; Titiš, J; Boča, R","Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17565","17571","10.1039/c5dt02827b","","x-ray","1.54184","CuKα","","0.0318","0.0267","","","0.0302","0.0327","","","","1.01","1.01","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036450","7.7734","0.0002","12.5186","0.0004","17.9276","0.0007","90","","101.346","0.003","90","","1710.48","0.1","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline)-iodido-cobalt(II)","","- C18 H12 Co I2 N2 -","- C18 H12 Co I2 N2 -","- C72 H48 Co4 I8 N8 -","4","1","","Smolko, L.; Černák, J; Dušek, M; Miklovič, J; Titiš, J; Boča, R","Three tetracoordinate Co(ii) complexes [Co(biq)X2] (X = Cl, Br, I) with easy-plane magnetic anisotropy as field-induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17565","17571","10.1039/c5dt02827b","","x-ray","1.54184","CuKα","","0.047","0.0413","","","0.104","0.109","","","","1.5","1.5","1.47","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036451","10.8304","0.0003","11.6831","0.0004","17.0183","0.0005","83.533","0.001","75.708","0.001","83.691","0.001","2065.9","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H78 Bi4 N12 O37 -","- C75 H78 Bi4 N12 O37 -","- C75 H78 Bi4 N12 O37 -","1","0.5","","Pathak, Amita; Blair, Victoria L.; Ferrero, Richard L.; Junk, Peter C.; Tabor, Richard F.; Andrews, Philip C.","Synthesis and structural characterisation of bismuth(iii) hydroxamates and their activity against Helicobacter pylori.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16903","16913","10.1039/c5dt02259b","","","0.71073","MoKα","","0.0268","0.019","","","0.0382","0.0401","","","","","","1.027","","","","has coordinates,has disorder","171102","2020-10-21","18:00:00",""
"7036452","14.1095","0.0008","18.8537","0.0011","15.4923","0.0007","90","","99.868","0.004","90","","4060.2","0.4","123","10","123","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H66 Bi2 N6 O13 -","- C80 H66 Bi2 N6 O13 -","- C160 H132 Bi4 N12 O26 -","2","0.5","","Pathak, Amita; Blair, Victoria L.; Ferrero, Richard L.; Junk, Peter C.; Tabor, Richard F.; Andrews, Philip C.","Synthesis and structural characterisation of bismuth(iii) hydroxamates and their activity against Helicobacter pylori.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16903","16913","10.1039/c5dt02259b","","","0.71073","MoKα","","0.0469","0.0319","","","0.0672","0.0711","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036453","7.7836","0.0004","12.4644","0.0007","23.13","0.0011","87.484","0.002","85.407","0.002","84.557","0.002","2225.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H49 Bi2 N4 O16 S4 -","- C37 H49 Bi2 N4 O16 S4 -","- C74 H98 Bi4 N8 O32 S8 -","2","1","","Pathak, Amita; Blair, Victoria L.; Ferrero, Richard L.; Junk, Peter C.; Tabor, Richard F.; Andrews, Philip C.","Synthesis and structural characterisation of bismuth(iii) hydroxamates and their activity against Helicobacter pylori.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16903","16913","10.1039/c5dt02259b","","","0.71073","MoKα","","0.0462","0.0331","","","0.0744","0.0789","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036454","12.0219","0.0006","28.9891","0.0013","8.9674","0.0004","90","","98.879","0.001","90","","3087.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Ga N2 O1.77 -","- C32 H45 Ga N2 O1.772 -","- C128 H180 Ga4 N8 O7.088 -","4","1","","Herappe-Mejía, Eduardo; Trujillo-Hernández, Karla; Carlos Garduño-Jiménez, Juan; Cortés-Guzmán, Fernando; Martínez-Otero, Diego; Jancik, Vojtech","Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16894","16902","10.1039/c5dt01922b","","","0.71073","MoKα","","0.0388","0.0311","","","0.0751","0.0782","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036455","10.4636","0.0009","11.7019","0.001","19.1326","0.0017","83.837","0.002","74.888","0.001","67.48","0.001","2089.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H55 Cl2 Ga N2 O2 Si -","- C42.0003 H55.0006 Cl2.0006 Ga N2 O2 Si -","- C84.0006 H110.001 Cl4.0012 Ga2 N4 O4 Si2 -","2","1","","Herappe-Mejía, Eduardo; Trujillo-Hernández, Karla; Carlos Garduño-Jiménez, Juan; Cortés-Guzmán, Fernando; Martínez-Otero, Diego; Jancik, Vojtech","Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16894","16902","10.1039/c5dt01922b","","","0.71073","MoKα","","0.0287","0.0273","","","0.0763","0.0773","","","","","","1.089","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036456","33.6284","0.0009","11.9006","0.0003","19.1275","0.0005","90","","96.343","0.002","90","","7607.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H60 Ga N2 O4 P -","- C37 H60 Ga N2 O4 P -","- C296 H480 Ga8 N16 O32 P8 -","8","2","","Herappe-Mejía, Eduardo; Trujillo-Hernández, Karla; Carlos Garduño-Jiménez, Juan; Cortés-Guzmán, Fernando; Martínez-Otero, Diego; Jancik, Vojtech","Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16894","16902","10.1039/c5dt01922b","","","1.54178","CuKα","","0.063","0.0434","","","0.1006","0.1099","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036457","13.3128","0.0005","16.2936","0.0007","16.3509","0.0007","90","","102.395","0.0009","90","","3464.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 Ga N2 O3 S -","- C36 H49 Ga N2 O3 S -","- C144 H196 Ga4 N8 O12 S4 -","4","1","","Herappe-Mejía, Eduardo; Trujillo-Hernández, Karla; Carlos Garduño-Jiménez, Juan; Cortés-Guzmán, Fernando; Martínez-Otero, Diego; Jancik, Vojtech","Synthesis of substituted β-diketiminate gallium hydrides via oxidative addition of H-O bonds.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16894","16902","10.1039/c5dt01922b","","","0.71073","MoKα","","0.0292","0.0274","","","0.0694","0.0703","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036458","8.847","0.004","23.449","0.009","8.877","0.004","90","","108.188","0.006","90","","1749.6","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Li N2 O -","- C18 H27 Li N2 O -","- C72 H108 Li4 N8 O4 -","4","1","","Antonov, Alexander S.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Filarowski, Aleksander; Suponitsky, Kyrill Yu; Tolstoy, Peter M.; Vovk, Mikhail A.","Ring lithiation of 1,8-bis(dimethylamino)naphthalene: another side of the 'proton sponge coin'.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17756","17766","10.1039/c5dt02482j","","","0.71073","MoKα","","0.2494","0.0847","","","0.1293","0.182","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036459","8.4252","0.0002","17.7922","0.0004","24.7267","0.0006","90","","90","","90","","3706.6","0.15","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 Cl3 N3 O5 P Pd -","- C37 H41 Cl3 N3 O5 P Pd -","- C148 H164 Cl12 N12 O20 P4 Pd4 -","4","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0342","0.0272","","","0.073","0.0908","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036460","8.7889","0.001","10.1423","0.0013","26.66","0.004","90","","90","","90","","2376.5","0.5","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl4 N O2 P Pd -","- C22 H22 Cl4 N O2 P Pd -","- C88 H88 Cl16 N4 O8 P4 Pd4 -","4","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0307","0.0266","","","0.0653","0.0814","","","","","","1.134","","","","has coordinates,has disorder","161958","2020-10-21","18:00:00",""
"7036461","9.5802","0.0003","9.5802","0.0003","52.123","0.002","90","","90","","90","","4783.9","0.3","103","2","103","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C22.5 H24 Cl3 N2 O P Pd -","- C22.5 H24 Cl3 N2 O P Pd -","- C180 H192 Cl24 N16 O8 P8 Pd8 -","8","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.1083","0.078","","","0.1858","0.2137","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036462","9.8221","0.0004","10.6843","0.0004","12.2336","0.0005","66.396","0.002","80.267","0.002","64.934","0.002","1065.62","0.08","103","2","103","2","","","","","","","","7","P 1","P 1","1","","","","- C22 H23 Au Cl N2 O P -","- C22 H23 Au Cl N2 O P -","- C44 H46 Au2 Cl2 N4 O2 P2 -","2","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0379","0.0323","","","0.0716","0.0902","","","","","","0.982","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036463","8.5246","0.0013","17.622","0.003","13.569","0.002","90","","91.475","0.002","90","","2037.7","0.6","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H20 Au Cl N O2 P -","- C21 H20 Au Cl N O2 P -","- C84 H80 Au4 Cl4 N4 O8 P4 -","4","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0749","0.0534","","","0.1161","0.141","","","","","","1.04","","","","has coordinates","161958","2020-10-21","18:00:00",""
"7036464","14.6585","0.0004","9.3247","0.0002","19.8149","0.0005","90","","102.985","0.002","90","","2639.16","0.12","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H24 Au Cl4 N2 O P -","- C23 H24 Au Cl4 N2 O P -","- C92 H96 Au4 Cl16 N8 O4 P4 -","4","2","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0737","0.0406","","","0.0863","0.1153","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036465","10.108","0.0011","11.9955","0.0013","14.667","0.0016","90","","106.268","0.001","90","","1707.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 O4 Zn -","- C38 H36 N6 O4 Zn -","- C76 H72 N12 O8 Zn2 -","2","0.5","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0958","0.0537","","","0.13","0.1517","","","","","","0.971","","","","has coordinates","161860","2020-10-21","18:00:00",""
"7036466","21.3227","0.0017","8.938","0.0007","17.7026","0.0014","90","","108.786","0.002","90","","3194.1","0.4","179","2","179","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cd N2 O3 -","- C18 H14 Cd N2 O3 -","- C144 H112 Cd8 N16 O24 -","8","1","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0327","0.0251","","","0.0654","0.0709","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036467","19.2045","0.0015","12.1226","0.0009","16.339","0.0013","90","","113.65","0.004","90","","3484.4","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 N2 O3 Zn -","- C20 H13 N2 O3 Zn -","- C160 H104 N16 O24 Zn8 -","8","1","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","1.54178","CuKα","","0.0372","0.0348","","","0.0969","0.0987","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036468","18.243","0.004","17.053","0.004","23.57","0.005","90","","101.411","0.003","90","","7188","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 I2 N4 O16 Zn3 -","- C46 H30 I2 N4 O8 Zn3 -","- C184 H120 I8 N16 O32 Zn12 -","4","0.5","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0811","0.0437","","","0.1256","0.1387","","","","","","0.88","","","","has coordinates","161860","2020-10-21","18:00:00",""
"7036469","19.29","0.002","12.8306","0.0015","15.7556","0.0018","90","","113.337","0.001","90","","3580.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Cd N2 O3 -","- C20 H13 Cd N2 O3 -","- C160 H104 Cd8 N16 O24 -","8","1","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0563","0.0362","","","0.0846","0.0946","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036470","22.0223","0.0012","22.0223","0.0012","21.628","0.002","90","","90","","90","","10489.2","1.3","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C48 H42 Cd2 N4 O10 -","- C48 H30 Cd2 N4 O10 -","- C384 H240 Cd16 N32 O80 -","8","0.5","","Yuan, Guozan; Hu, Guoli; Shan, Weilong; Jin, Suo; Gu, Qingyun; Chen, Jing","Structural and luminescence modulation in 8-hydroxyquinolinate-based coordination polymers by varying the dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17774","17783","10.1039/c5dt02692j","","","0.71073","MoKα","","0.0374","0.0349","","","0.1055","0.1071","","","","","","1.127","","","","has coordinates","161860","2020-10-21","18:00:00",""
"7036471","29.498","0.004","22.319","0.003","7.7732","0.0009","90","","90","","90","","5117.6","1.1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.0568","0.0346","","","0.0728","0.0778","","","","","","1.007","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036472","29.787","0.005","22.327","0.004","7.8007","0.0012","90","","90","","90","","5187.9","1.5","373","2","373","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.1018","0.0572","","","0.1355","0.1579","","","","","","1.026","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036473","29.942","0.005","22.309","0.004","7.8155","0.0011","90","","90","","90","","5220.6","1.5","413","2","413","2","","","","","","","","5","F d d 2","F 2 -2d","43","","[1, 5-bis(1-methylimidazolium)pentane]- [PbBr3]2","","- C6.5 H11 Br3 N2 Pb -","- C6.5 H11 Br3 N2 Pb -","- C104 H176 Br48 N32 Pb16 -","16","1","","Tong, Yuan-Bo; Ren, Li-Te; Duan, Hai-Bao; Liu, Jian-Lan; Ren, Xiao-Ming","An amphidynamic inorganic-organic hybrid crystal of bromoplumbate with 1,5-bis(1-methylimidazolium)pentane exhibiting multi-functionality of a dielectric anomaly and temperature-dependent dual band emissions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17850","17858","10.1039/c5dt02739j","","","0.71073","MoKα","","0.1028","0.0599","","","0.1436","0.1681","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036474","9.6591","0.0005","9.7142","0.0005","11.5382","0.0007","111.594","0.005","94.739","0.004","97.575","0.004","987.71","0.1","185","0.1","185","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Co N4 O10 S2 -","- C38 H46 Co N4 O10 S2 -","- C38 H46 Co N4 O10 S2 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng","A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17829","17840","10.1039/c5dt03135d","","x-ray","1.54184","CuKα","","0.0616","0.0537","","","0.1422","0.1471","","","","","","1.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036475","9.524","0.005","9.749","0.005","11.802","0.005","94.673","0.005","112.079","0.005","98.544","0.005","992.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Co N6 O10 S2 -","- C38 H48 Co N6 O10 S2 -","- C38 H48 Co N6 O10 S2 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng","A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17829","17840","10.1039/c5dt03135d","","","0.71069","MoKα","","0.0317","0.0297","","","0.0835","0.0851","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036476","23.5795","0.0004","16.9585","0.0003","9.1362","0.0002","90","","90","","90","","3653.32","0.12","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C40 H42 Co N4 O6 S2 -","- C40 H42 Co N4 O6 S2 -","- C160 H168 Co4 N16 O24 S8 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Wang, Jun-Jie; Ng, Seik Weng","A series of phenyl sulfonate metal coordination polymers as catalysts for one-pot Biginelli reactions under solvent-free conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17829","17840","10.1039/c5dt03135d","","","1.54184","CuKα","","0.1016","0.0943","","","0.2348","0.2463","","","","","","1.026","","","","has coordinates,has disorder","161890","2020-10-21","18:00:00",""
"7036477","20.482","0.0017","16.156","0.0007","20.007","0.003","90","","108.305","0.01","90","","6285.5","1.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 Al2 N4 -","- C68 H90 Al2 N4 -","- C272 H360 Al8 N16 -","4","1","","Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A","Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17462","17466","10.1039/c5dt03128a","","","0.71073","MoKα","","0.1101","0.061","","","0.1174","0.1469","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036478","10.623","0.0008","15.659","0.0008","22.1571","0.0011","98.155","0.004","99.819","0.005","107.948","0.005","3379.9","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C71 H98 Al2 N4 Si -","- C71 H98 Al2 N4 Si -","- C142 H196 Al4 N8 Si2 -","2","1","","Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A","Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17462","17466","10.1039/c5dt03128a","","","0.71073","MoKα","","0.1214","0.0676","","","0.1197","0.1463","","","","","","1.162","","","","has coordinates","161909","2020-10-21","18:00:00",""
"7036479","17.7131","0.001","14.447","0.0012","25.0359","0.0014","90","","126.853","0.005","90","","5126.5","0.7","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H142 Al2 K2 N4 Sn6 -","- C82 H128 Al2 K2 N4 Sn6 -","- C164 H256 Al4 K4 N8 Sn12 -","2","0.5","","Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A","Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17462","17466","10.1039/c5dt03128a","","","0.71073","MoKα","","0.0559","0.0321","","","0.0622","0.0797","","","","","","1.205","","","","has coordinates","161909","2020-10-21","18:00:00",""
"7036480","7.624","0.0011","13.6244","0.0018","14.516","0.002","102.723","0.002","100.056","0.002","105.814","0.002","1370.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Au F5 N2 O -","- C31 H24 Au F5 N2 O -","- C62 H48 Au2 F10 N4 O2 -","2","1","","Chen, Zhao; Liang, Jinhua; Nie, Yuting; Xu, Xuqingfeng; Yu, Guang-Ao; Yin, Jun; Liu, Sheng Hua","A novel carbazole-based gold(i) complex with interesting solid-state, multistimuli-responsive characteristics.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17473","17477","10.1039/c5dt02035b","","","0.71073","MoKα","","0.0414","0.0366","","","0.1131","0.1207","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036481","18.712","0.004","8.218","0.0016","21.103","0.004","90","","114.175","0.002","90","","2960.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Au Cl2 F5 N2 O -","- C32 H26 Au Cl2 F5 N2 O -","- C128 H104 Au4 Cl8 F20 N8 O4 -","4","1","","Chen, Zhao; Liang, Jinhua; Nie, Yuting; Xu, Xuqingfeng; Yu, Guang-Ao; Yin, Jun; Liu, Sheng Hua","A novel carbazole-based gold(i) complex with interesting solid-state, multistimuli-responsive characteristics.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17473","17477","10.1039/c5dt02035b","","","0.71073","MoKα","","0.0323","0.026","","","0.0681","0.071","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036482","9.7267","0.0007","21.9839","0.0017","20.4249","0.0014","90","","100.929","0.004","90","","4288.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H37 Ir N8 O4 -","- C52 H37 Ir N8 O4 -","- C208 H148 Ir4 N32 O16 -","4","1","","Sinha, Woormileela; Ravotto, Luca; Ceroni, Paola; Kar, Sanjib","NIR-emissive iridium(iii) corrole complexes as efficient singlet oxygen sensitizers.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17767","17773","10.1039/c5dt03041b","","","0.71073","MoKα","","0.0963","0.0639","","","0.1737","0.1933","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036483","17.082","0.005","16.003","0.005","22.903","0.006","90","","107.572","0.005","90","","5969","3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cl2 Ir N10 O3 -","- C63 H45 Cl2 Ir N10 O3 -","- C252 H180 Cl8 Ir4 N40 O12 -","4","1","","Sinha, Woormileela; Ravotto, Luca; Ceroni, Paola; Kar, Sanjib","NIR-emissive iridium(iii) corrole complexes as efficient singlet oxygen sensitizers.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17767","17773","10.1039/c5dt03041b","","","0.71073","MoKα","","0.1023","0.0557","","","0.1282","0.1387","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036490","12.7216","0.0007","9.496","0.0007","18.09","0.0011","90","","108.228","0.007","90","","2075.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl2 N4 O12 Zn3 -","- C36 H34 Cl2 N4 O12 Zn3 -","- C72 H68 Cl4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0735","0.0605","","","0.1267","0.1314","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036491","12.7659","0.0006","9.579","0.0004","18.052","0.0008","90","","108.206","0.005","90","","2096.97","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 N4 O12 Zn3 -","- C38 H38 Cl2 N4 O12 Zn3 -","- C76 H76 Cl4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0522","0.0444","","","0.1282","0.1373","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036492","17.9537","0.001","6.3506","0.0003","7.2542","0.0004","90","","91.419","0.005","90","","826.85","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 O5 Zn -","- C8 H6 O5 Zn -","- C32 H24 O20 Zn4 -","4","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.032","0.029","","","0.072","0.074","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036493","12.9467","0.0005","9.4171","0.0003","18.337","0.0007","90","","108.906","0.004","90","","2115.04","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br2 N4 O12 Zn3 -","- C36 H34 Br2 N4 O12 Zn3 -","- C72 H68 Br4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0627","0.0456","","","0.1135","0.1259","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036494","13.0114","0.0005","9.4909","0.0004","18.3354","0.0006","90","","109.114","0.004","90","","2139.41","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 N4 O12 Zn3 -","- C38 H38 Br2 N4 O12 Zn3 -","- C76 H76 Br4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0512","0.0389","","","0.1004","0.1075","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036495","13.1135","0.0014","9.7503","0.0006","18.2437","0.0018","90","","110.202","0.012","90","","2189.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Br2 N4 O12 Zn3 -","- C40 H42 Br2 N4 O12 Zn3 -","- C80 H84 Br4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0806","0.0551","","","0.1315","0.1494","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036496","11.786","0.003","5.3955","0.0005","9.712","0.003","90","","126.22","0.03","90","","498.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 O6 Zn -","- C2 H4 O6 Zn -","- C8 H16 O24 Zn4 -","4","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0418","0.0399","","","0.1071","0.1086","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036497","13.2282","0.0008","9.3686","0.0003","18.659","0.0007","90","","110.27","0.005","90","","2169.2","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 I2 N4 O12 Zn3 -","- C36 H34 I2 N4 O12 Zn3 -","- C72 H68 I4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0702","0.0451","","","0.1061","0.121","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036498","13.344","0.0009","9.4033","0.0006","18.5203","0.0012","90","","110.126","0.007","90","","2182","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 I2 N4 O12 Zn3 -","- C38 H38 I2 N4 O12 Zn3 -","- C76 H76 I4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.1595","0.1043","","","0.2723","0.3202","","","","","","1.181","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036499","13.2721","0.0012","9.6225","0.0007","18.4952","0.0012","90","","107.452","0.008","90","","2253.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 I2 N4 O12 Zn3 -","- C40 H42 I2 N4 O12 Zn3 -","- C80 H84 I4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.0932","0.0715","","","0.177","0.192","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036500","13.3605","0.001","9.8772","0.0004","18.3026","0.0009","90","","108.303","0.007","90","","2293.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 I2 N4 O12 Zn3 -","- C42 H46 I2 N4 O12 Zn3 -","- C84 H92 I4 N8 O24 Zn6 -","2","0.5","","Zhang, Zong-Hui; Liu, Bing; Xu, Ling; Jiao, Huan","Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17980","17989","10.1039/c5dt02672e","","","0.71073","MoKα","","0.1243","0.0628","","","0.1129","0.1383","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036501","10.927","0.002","14.41","0.003","14.891","0.003","75.505","0.006","73.136","0.007","73.193","0.007","2112.3","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37.5 N7.5 O11 S2 Tb Zn2 -","- C39 H36 N7.5 O11 S2 Tb Zn2 -","- C78 H72 N15 O22 S4 Tb2 Zn4 -","2","1","","Then, Poh Ling; Takehara, Chika; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18038","18048","10.1039/c5dt02965a","","","0.71075","MoKα","","0.0528","0.0443","","","0.1098","0.1154","","","","","","1.066","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036502","10.92","0.0011","14.4384","0.0015","14.8871","0.0015","75.644","0.004","73.117","0.004","73.178","0.004","2115.2","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37.5 Dy N7.5 O11 S2 Zn2 -","- C39 H36 Dy N7.5 O11 S2 Zn2 -","- C78 H72 Dy2 N15 O22 S4 Zn4 -","2","1","","Then, Poh Ling; Takehara, Chika; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18038","18048","10.1039/c5dt02965a","","","0.71075","MoKα","","0.034","0.0319","","","0.0792","0.0809","","","","","","1.046","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036503","12.0878","0.0015","12.6225","0.0018","16.365","0.003","87.529","0.007","69.44","0.005","70.545","0.005","2196.7","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 La N8 O11 S2 Zn2 -","- C40 H39 La N8 O11 S2 Zn2 -","- C80 H78 La2 N16 O22 S4 Zn4 -","2","1","","Then, Poh Ling; Takehara, Chika; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18038","18048","10.1039/c5dt02965a","","","0.71075","MoKα","","0.0592","0.0463","","","0.0999","0.1072","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036504","12.0866","0.0011","12.591","0.0014","16.3433","0.0019","87.765","0.005","69.555","0.003","70.571","0.004","2189.4","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 N8 O11 S2 Tb0.89 Zn2 -","- C40 H39 N8 O11 S2 Tb0.89 Zn2 -","- C80 H78 N16 O22 S4 Tb1.78 Zn4 -","2","1","","Then, Poh Ling; Takehara, Chika; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18038","18048","10.1039/c5dt02965a","","","0.71075","MoKα","","0.045","0.0392","","","0.0936","0.0982","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036505","12.0861","0.0014","12.5884","0.0017","16.352","0.002","87.747","0.005","69.486","0.004","70.587","0.004","2189.2","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 Dy0.89 N8 O11 S2 Zn2 -","- C40 H39 Dy0.89 N8 O11 S2 Zn2 -","- C80 H78 Dy1.78 N16 O22 S4 Zn4 -","2","1","","Then, Poh Ling; Takehara, Chika; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18038","18048","10.1039/c5dt02965a","","","0.71075","MoKα","","0.0416","0.0385","","","0.0995","0.1019","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036506","10.584","0.009","10.661","0.009","14.958","0.011","91.476","0.018","95.111","0.019","104.21","0.03","1628","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H30 F12 N O3 S2 Si2 Y -","- C22 H30 F12 N O3 S2 Si2 Y -","- C44 H60 F24 N2 O6 S4 Si4 Y2 -","2","1","","Meduri, A.; Cozzolino, M.; Milione, S.; Press, K.; Sergeeva, E.; Tedesco, C.; Mazzeo, M.; Lamberti, M.","Yttrium and aluminium complexes bearing dithiodiolate ligands: synthesis and application in cyclic ester polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17990","18000","10.1039/c5dt02938d","","","0.71073","MoKα","","0.1098","0.0851","","","0.2132","0.244","","","","","","1.046","","","","has coordinates","171184","2020-10-21","18:00:00",""
"7036507","19.8481","0.0007","19.8481","","7.1359","0.0003","90","","90","","90","","2811.17","0.15","150","2","150","2","","","","","","","synthesis as described","4","P -4 21 c","P -4 2n","114","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0793","0.0729","","","0.1443","0.1474","","","","","","1.118","","","","has coordinates,has disorder","171186","2020-10-21","18:00:00",""
"7036508","14.3007","0.0007","14.7917","0.0006","15.2273","0.0006","95.987","0.002","109.006","0.002","105.734","0.002","2864.9","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C60 H57 Fe3 N3 O6 -","- C60 H57 Fe3 N3 O6 -","- C120 H114 Fe6 N6 O12 -","2","1","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0818","0.0562","","","0.1507","0.1616","","","","","","1.095","","","","has coordinates,has disorder","171186","2020-10-21","18:00:00",""
"7036509","7.2819","0.0002","21.2966","0.0006","23.7759","0.0007","90","","90","","90","","3687.16","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 Ni O3 -","- C22 H20 N2 Ni O3 -","- C176 H160 N16 Ni8 O24 -","8","2","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0495","0.0367","","","0.0675","0.0716","","","","","","1.007","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7036510","7.5236","0.0005","22.6943","0.0012","23.9482","0.0015","90","","90","","90","","4089","0.4","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C25 H22 Fe N2 Ni O2 -","- C25 H22 Fe N2 Ni O2 -","- C200 H176 Fe8 N16 Ni8 O16 -","8","1","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0841","0.0448","","","0.0945","0.1095","","","","","","1.034","","","","has coordinates","171186","2020-10-21","18:00:00",""
"7036511","7.5792","0.0005","23.0612","0.0013","23.4845","0.0015","90","","90.527","0.002","90","","4104.6","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cu Fe N2 O2 -","- C25 H22 Cu Fe N2 O2 -","- C200 H176 Cu8 Fe8 N16 O16 -","8","2","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0763","0.0591","","","0.1438","0.1593","","","","","","1.035","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7036512","10.562","0.002","14.818","0.003","13.274","0.003","90","","91.5","0.004","90","","2076.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 Mn N6 -","- C16 H14 Cl2 Mn N6 -","- C64 H56 Cl8 Mn4 N24 -","4","0.5","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.0686","0.0492","","","0.1126","0.1227","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036513","9.879","0.002","10.616","0.003","13.434","0.003","86.091","0.005","83.134","0.005","62.84","0.004","1244.4","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 F6 Mn N6 O6 S2 -","- C18 H14 F6 Mn N6 O6 S2 -","- C36 H28 F12 Mn2 N12 O12 S4 -","2","1","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.1574","0.0935","","","0.195","0.2334","","","","","","1.062","","","","has coordinates,has disorder","161939","2020-10-21","18:00:00",""
"7036514","13.439","0.003","10.422","0.003","20.069","0.005","90","","90","","90","","2810.9","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N6 O8 -","- C24 H28 Mn N6 O8 -","- C96 H112 Mn4 N24 O32 -","4","0.5","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.09","0.0468","","","0.1022","0.1223","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036515","11.642","0.002","19.42","0.004","11.223","0.002","90","","102.1","0.004","90","","2481","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 Mn N3 O2 -","- C8 H11 Cl2 Mn N3 O2 -","- C64 H88 Cl16 Mn8 N24 O16 -","8","2","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.0773","0.0609","","","0.1267","0.1337","","","","","","1.144","","","","has coordinates,has disorder","161939","2020-10-21","18:00:00",""
"7036516","12.183","0.004","7.422","0.003","18.732","0.007","90","","96.061","0.006","90","","1684.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl Mn N4 O2 -","- C18 H14 Cl Mn N4 O2 -","- C72 H56 Cl4 Mn4 N16 O8 -","4","1","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.0877","0.0475","","","0.0953","0.1093","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036517","12.7494","0.0016","11.6886","0.0015","15.753","0.002","90","","95.143","0.002","90","","2338.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Mn N8 O7 -","- C16 H14 Mn N8 O6 -","- C64 H56 Mn4 N32 O24 -","4","1","","Manrique, Ester; Poater, Albert; Fontrodona, Xavier; Solà, Miquel; Rodríguez, Montserrat; Romero, Isabel","Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17529","17543","10.1039/c5dt02787j","","","0.71073","MoKα","","0.0646","0.0544","","","0.1391","0.1441","","","","","","1.093","","","","has coordinates","161939","2020-10-21","18:00:00",""
"7036518","17.6906","0.0012","9.2409","0.0006","19.8228","0.0013","90","","114.697","0.006","90","","2944.2","0.4","273","2","273","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C17 H12 N O18 P4 U2 -","- C17 H12 N O18 P4 U2 -","- C68 H48 N4 O72 P16 U8 -","4","0.5","","Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18158","18166","10.1039/c5dt02667a","","","0.71073","MoKα","","0.0288","0.0218","","","0.081","0.0974","","","","","","1.389","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036519","9.7194","0.0009","10.3787","0.0009","10.4643","0.0009","110.067","0.002","103.971","0.002","105.105","0.002","891.27","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H16 F N O8 P2 U -","- C13 H16 F N O8 P2 U -","- C26 H32 F2 N2 O16 P4 U2 -","2","1","","Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18158","18166","10.1039/c5dt02667a","","","0.71073","MoKα","","0.0788","0.0719","","","0.2064","0.209","","","","","","1.203","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036520","9.7669","0.0005","19.1321","0.001","19.139","0.001","90","","90","","90","","3576.3","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N4 O16 P4 U2 -","- C24 H32 N4 O16 P4 U2 -","- C96 H128 N16 O64 P16 U8 -","4","1","","Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18158","18166","10.1039/c5dt02667a","","","0.71073","MoKα","","0.0481","0.0329","","","0.0551","0.0587","","","","","","1.052","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036521","7.83965","0.00013","7.83965","0.00013","3.87551","0.00006","90","","90","","90","","238.189","0.007","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- F6 Fe2 H12 O6 -","- F3 Fe H6 O3 -","- F6 Fe2 H12 O6 -","2","0.25","","Nénert, Gwilherm; Fabelo, Oscar; Forsberg, Kerstin; Colin, Claire V; Rodríguez-Carvajal, Juan","Structural and magnetic properties of the low-dimensional fluoride β-FeF3(H2O)2.H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14130","14138","10.1039/c5dt02242h","powder diffraction","","1.35844","ConstantWavelengthNeutronDiffraction+X-rayKa1Cobaltradiation","","","","","","","","","3.2735","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036522","13.1459","0.0007","13.5527","0.0007","16.4259","0.0008","85.17","0.002","81.3","0.002","74.43","0.002","2783.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C23.5 H30 Cl2 N2 O3 Ru S -","- C23.5 H30 Cl2 N2 O3 Ru S -","- C94 H120 Cl8 N8 O12 Ru4 S4 -","4","2","","Rajaraman, A.; Sahoo, A. R.; Hild, F.; Fischmeister, C.; Achard, M.; Bruneau, C.","Ruthenium(ii) and iridium(iii) complexes featuring NHC-sulfonate chelate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17467","17472","10.1039/c5dt02867a","","x-ray","0.71073","MoKα","","0.1062","0.0804","","","0.2172","0.2278","","","","","","1.048","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7036523","34.3418","0.0014","8.5744","0.0003","26.5125","0.0009","90","","128.42","0.001","90","","6116.5","0.4","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 Cl5 Ir N2 O3 S -","- C25 H34 Cl5 Ir N2 O3 S -","- C200 H272 Cl40 Ir8 N16 O24 S8 -","8","1","","Rajaraman, A.; Sahoo, A. R.; Hild, F.; Fischmeister, C.; Achard, M.; Bruneau, C.","Ruthenium(ii) and iridium(iii) complexes featuring NHC-sulfonate chelate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17467","17472","10.1039/c5dt02867a","","x-ray","0.71073","MoKα","","0.0369","0.0295","","","0.0636","0.0663","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036524","7.6934","0.0003","21.5785","0.0007","7.8789","0.0003","90","","94.751","0.001","90","","1303.5","0.08","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","","Rajaraman, A.; Sahoo, A. R.; Hild, F.; Fischmeister, C.; Achard, M.; Bruneau, C.","Ruthenium(ii) and iridium(iii) complexes featuring NHC-sulfonate chelate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17467","17472","10.1039/c5dt02867a","","x-ray","0.71073","MoKα","","0.0454","0.0353","","","0.086","0.091","","","","","","1.046","","","","has coordinates,has disorder","161900","2020-10-21","18:00:00",""
"7036525","13.396","0.003","14.1217","0.0019","14.991","0.003","90","","99.346","0.017","90","","2798.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Lu N O2 Si -","- C25 H48 Lu N O2 Si -","- C100 H192 Lu4 N4 O8 Si4 -","4","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0454","0.0326","","","0.0544","0.0572","","","","","","1.069","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036526","14.6911","0.001","12.3862","0.0009","17.5679","0.0012","90","","112.559","0.005","90","","2952.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 Ga2 N Si Y -","- C23 H50 Ga2 N Si Y -","- C92 H200 Ga8 N4 Si4 Y4 -","4","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0777","0.0602","","","0.0953","0.0996","","","","","","1.263","","","","has coordinates","171188","2020-10-21","18:00:00",""
"7036527","12.201","0.003","17.328","0.008","28.104","0.008","90","","91.7","0.02","90","","5939","4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 Al2 Ho N Si -","- C23 H50 Al2 Ho N Si -","- C184 H400 Al16 Ho8 N8 Si8 -","8","2","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0647","0.0433","","","0.069","0.0738","","","","","","1.033","","","","has coordinates","171188","2020-10-21","18:00:00",""
"7036528","9.3816","0.0009","12.6128","0.0008","12.757","0.0012","90","","94.34","0.008","90","","1505.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H50 Al2 La N Si -","- C23 H50 Al2 La N Si -","- C46 H100 Al4 La2 N2 Si2 -","2","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0302","0.0278","","","0.0644","0.0653","","","","","","1.022","","","","has coordinates,has disorder","171188","2020-10-21","18:00:00",""
"7036529","12.2588","0.0005","17.4136","0.0007","28.1778","0.0013","90","","91.984","0.004","90","","6011.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 Al2 N Nd Si -","- C23 H50 Al2 N Nd Si -","- C184 H400 Al16 N8 Nd8 Si8 -","8","2","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0461","0.0347","","","0.0696","0.0729","","","","","","1.077","","","","has coordinates","171188","2020-10-21","18:00:00",""
"7036530","11.4783","0.0002","26.0417","0.0006","26.488","0.0005","90","","97.637","0.001","90","","7847.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H130 Ho3 N3 O3 Si3 -","- C68 H130 Ho3 N3 O3 Si3 -","- C272 H520 Ho12 N12 O12 Si12 -","4","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.1007","0.0893","","","0.1329","0.136","","","","","","1.417","","","","has coordinates,has disorder","171188","2020-10-21","18:00:00",""
"7036531","11.7297","0.0006","25.9702","0.0018","26.3476","0.0014","90","","97.592","0.004","90","","7955.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H123 N3 Nd3 O3 Si3 -","- C65 H123 N3 Nd3 O3 Si3 -","- C260 H492 N12 Nd12 O12 Si12 -","4","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.1237","0.0681","","","0.1196","0.1358","","","","","","1.035","","","","has coordinates,has disorder","171188","2020-10-21","18:00:00",""
"7036532","14.468","0.0003","25.6711","0.0004","19.6447","0.0004","90","","106.96","0.002","90","","6978.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H114 N3 Nd3 O4 Si3 -","- C61 H114 N3 Nd3 O4 Si3 -","- C244 H456 N12 Nd12 O16 Si12 -","4","1","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0654","0.057","","","0.0925","0.0951","","","","","","1.317","","","","has coordinates,has disorder","171188","2020-10-21","18:00:00",""
"7036533","17.9545","0.0006","17.8184","0.0006","12.2373","0.0004","90","","103.82","","90","","3801.6","0.2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Al N2 Nd Si2 -","- C34 H64 Al N2 Nd Si2 -","- C136 H256 Al4 N8 Nd4 Si8 -","4","0.5","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0144","0.0141","","","0.0389","0.0391","","","","","","1.113","","","","has coordinates","171188","2020-10-21","18:00:00",""
"7036534","18.0563","0.0011","17.8725","0.0011","12.2151","0.0008","90","","104.133","0.001","90","","3822.6","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Al La N2 Si2 -","- C34 H64 Al La N2 Si2 -","- C136 H256 Al4 La4 N8 Si8 -","4","0.5","","Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner","Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18101","18110","10.1039/c5dt02936h","","","0.71073","MoKα","","0.0465","0.0427","","","0.1092","0.1107","","","","","","1.193","","","","has coordinates","171188","2020-10-21","18:00:00",""
"7036535","15.155","0.002","17.012","0.003","26.119","0.004","90","","90","","90","","6733.9","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-(2-(Diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole-κ","","- C32 H28 Au2 Cl4 N4 P2 -","- C32 H28 Au2 Cl4 N4 P2 -","- C256 H224 Au16 Cl32 N32 P16 -","8","1","","Bhat, Sajad A.; Mague, Joel T.; Balakrishna, Maravanji S.","Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17696","17703","10.1039/c5dt03161c","","","0.71073","MoKα","","0.0367","0.0257","","","0.0525","0.0575","","","","","","1.046","","","","has coordinates","161919","2020-10-21","18:00:00",""
"7036536","13.2229","0.0003","26.6831","0.0005","24.6194","0.0005","90","","95.777","0.0013","90","","8642.3","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H78 Au2 Cl2 N12 P6 -","- C93 H78 Au2 Cl2 N12 P6 -","- C372 H312 Au8 Cl8 N48 P24 -","4","1","","Bhat, Sajad A.; Mague, Joel T.; Balakrishna, Maravanji S.","Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17696","17703","10.1039/c5dt03161c","","","1.54178","CuKα","","0.1285","0.0851","","","0.1587","0.1764","","","","","","1.096","","","","has coordinates,has disorder","161919","2020-10-21","18:00:00",""
"7036537","24.8437","0.001","23.3689","0.0009","23.9666","0.0009","90","","102.763","0.002","90","","13570.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Ge4 O14 Ru4 -","- C62 H76 Ge4 O14 Ru4 -","- C496 H608 Ge32 O112 Ru32 -","8","1","","Bakthavachalam, K.; Yuvaraj, K.; Mondal, Bijan; Prakash, Rini; Ghosh, Sundargopal","All-metallagermoxane with an adamantanoid cage structure: [(Cp*Ru(CO)2Ge)4(μ-O)6] (Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17920","17923","10.1039/c5dt03284a","","","0.71073","MoKα","","0.0593","0.0439","","","0.1052","0.1132","","","","","","1.055","","","","has coordinates","171199","2020-10-21","18:00:00",""
"7036540","12.134","0.005","12.93","0.005","19.258","0.005","90","","104.453","0.005","90","","2925.8","1.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl8 Ga2 N4 -","- C23 H22 Cl8 Ga2 N4 -","- C92 H88 Cl32 Ga8 N16 -","4","1","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","0.71069","MoKα","","0.0595","0.048","","","0.1065","0.1145","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036541","13.0514","0.0007","13.7004","0.0008","16.9566","0.0009","68.062","0.005","83.116","0.004","82.799","0.005","2781.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H88 Al8 Cl24 N16 O -","- C92 H88 Al8 Cl24 N16 O -","- C92 H88 Al8 Cl24 N16 O -","1","0.5","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","1.54184","CuKα","","0.0811","0.0688","","","0.1853","0.2045","","","","","","1.012","","","","has coordinates","171176","2020-10-21","18:00:00",""
"7036542","9.87","0.005","14.98","0.005","24.874","0.005","90","","90","","90","","3678","2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl6 Ga2 N2 -","- C11 H10 Cl6 Ga2 N2 -","- C88 H80 Cl48 Ga16 N16 -","8","1","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","0.71069","MoKα","","0.039","0.0287","","","0.0634","0.0684","","","","","","1.146","","","","has coordinates","171176","2020-10-21","18:00:00",""
"7036543","8.255","0.005","15.233","0.005","14.1","0.005","90","","98.98","0.005","90","","1751.3","1.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl3 In N2 O -","- C15 H18 Cl3 In N2 O -","- C60 H72 Cl12 In4 N8 O4 -","4","1","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","0.71069","MoKα","","0.0232","0.0206","","","0.0426","0.0437","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036544","7.5511","0.0004","10.7802","0.0006","11.2368","0.0006","112.339","0.005","98.875","0.005","101.174","0.005","803.4","0.09","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 B2 Cl6 N2 -","- C11 H10 B2 Cl6 N2 -","- C22 H20 B4 Cl12 N4 -","2","1","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","1.5418","CuKα","","0.0554","0.0539","","","0.1567","0.1591","","","","","","1.085","","","","has coordinates","171176","2020-10-21","18:00:00",""
"7036545","27.888","0.003","15.5043","0.0016","14.6345","0.0015","90","","117.038","0.001","90","","5636.1","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Cu2 N8 O23 V2 W4 -","- C48 H32 Cu2 N8 O23 V2 W4 -","- C192 H128 Cu8 N32 O92 V8 W16 -","4","0.5","","Xu, Sha-Sha; Chen, Wei-Lin; Wang, Yan-Hua; Li, Yang-Guang; Liu, Zhu-Jun; Shan, Chun-Hui; Su, Zhong-Min; Wang, En-Bo","Co-sensitization promoted light harvesting with a new mixed-addenda polyoxometalate [Cu(C12H8N2)2]2[V2W4O19]·4H2O in dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18553","18562","10.1039/c5dt02992a","","","0.71073","MoKα","","0.0685","0.0564","","","0.1482","0.1551","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036546","8.865","0.002","16.289","0.003","29.929","0.007","90","","90","","90","","4321.8","1.6","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(NEt4)2[WO(S2C6H3CONH-t-Bu)2]","","- C38 H66 N4 O3 S4 W -","- C38 H66 N4 O3 S4 W -","- C152 H264 N16 O12 S16 W4 -","4","1","","Okamura, A Taka-Aki; Omi, Yui; Fujii, Manami; Tatsumi, Miki; Onitsuka, Kiyotaka","Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NHS hydrogen bonds from molybdenum analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18090","18100","10.1039/c5dt03278d","","","0.71075","MoKα","","0.072","0.0685","","","0.1526","0.154","","","","","","1.199","","","","has coordinates","171187","2020-10-21","18:00:00",""
"7036547","21.3866","0.0005","18.6641","0.0004","29.515","0.002","90","","90","","90","","11781.3","0.9","200","","200","","","","","","","","","6","P n a 21","P 2c -2n","33","","(NEt4)2[W(S2C6H3CONH-t-Bu)3]-H2O","","- C49 H81 N5 O4 S6 W -","- C49 H79 N5 O4 S6 W -","- C392 H632 N40 O32 S48 W8 -","8","2","","Okamura, A Taka-Aki; Omi, Yui; Fujii, Manami; Tatsumi, Miki; Onitsuka, Kiyotaka","Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NHS hydrogen bonds from molybdenum analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18090","18100","10.1039/c5dt03278d","","","0.71075","MoKα","","0.1055","0.0781","","","0.1415","0.1503","","","","","","1.114","","","","has coordinates","171187","2020-10-21","18:00:00",""
"7036548","17.9606","0.0014","8.7047","0.0008","18.3212","0.0014","90","","91.438","0.005","90","","2863.5","0.4","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(NEt4)2[W2O5(1,2-S2-3-t-BuNHCOC6H3)2]-2Et2O","","- C46 H86 N4 O9 S4 W2 -","- C46 H86 N4 O9 S4 W2 -","- C92 H172 N8 O18 S8 W4 -","2","0.5","","Okamura, A Taka-Aki; Omi, Yui; Fujii, Manami; Tatsumi, Miki; Onitsuka, Kiyotaka","Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NHS hydrogen bonds from molybdenum analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18090","18100","10.1039/c5dt03278d","","","0.71075","MoKα","","0.042","0.0293","","","0.0424","0.0437","","","","","","0.858","","","","has coordinates","171187","2020-10-21","18:00:00",""
"7036549","7.036","0.003","9.082","0.004","13.336","0.006","81.144","0.004","84.259","0.004","72.527","0.004","801.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br N4 O3 Re -","- C15 H10 Br N4 O3 Re -","- C30 H20 Br2 N8 O6 Re2 -","2","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","0.71073","MoKα","","0.0209","0.0201","","","0.0512","0.0517","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036550","14.466","0.0009","11.4063","0.0008","12.973","0.001","90","","96.727","0.005","90","","2125.9","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H10 Cl2 N4 O6 Re2 -","- C18 H10 Cl2 N4 O6 Re2 -","- C72 H40 Cl8 N16 O24 Re8 -","4","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","1.54178","CuKα","","0.0703","0.0577","","","0.1507","0.163","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036551","11.4508","0.0007","11.8036","0.0007","11.8641","0.0007","75.213","0.004","67.04","0.003","65.574","0.004","1335.9","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br2 N4 O6 Re2 -","- C18 H10 Br2 N4 O6 Re2 -","- C36 H20 Br4 N8 O12 Re4 -","2","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","1.54178","CuKα","","0.0537","0.0468","","","0.1253","0.1303","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036552","6.4068","0.0003","8.8341","0.0005","14.4493","0.0008","90","","101.947","0.003","90","","800.09","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H7 Cl N3 O3 Re -","- C9 H7 Cl N3 O3 Re -","- C18 H14 Cl2 N6 O6 Re2 -","2","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","1.54178","CuKα","","0.0642","0.0638","","","0.1864","0.1866","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036553","6.477","0.003","8.265","0.003","12.881","0.005","95.607","0.004","93.095","0.004","97.211","0.004","679.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H7 Br N3 O3 Re -","- C9 H7 Br N3 O3 Re -","- C18 H14 Br2 N6 O6 Re2 -","2","1","","Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J.","Hydrazine-mediated strongly coupled Re(CO)3 dimers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17268","17277","10.1039/c5dt02821c","","","0.71073","MoKα","","0.0457","0.0415","","","0.1164","0.1206","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036554","8.9203","0.0002","15.7392","0.0004","19.7232","0.0004","90","","99.676","0.002","90","","2729.71","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η6-p-cymene)(2-(((2-((7-chloroquinolin-4-yl)amino)ethyl)imino)methyl)-4-methoxy-phenol))chloroosmium(II)","","- C29 H31 Cl2 N3 O2 Os -","- C29 H31 Cl2 N3 O2 Os -","- C116 H124 Cl8 N12 O8 Os4 -","4","1","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","","0.71073","MoKα","","0.0458","0.0374","","","0.0735","0.075","","","","","","1.51","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036555","9.6159","0.0006","15.6469","0.001","18.6189","0.0012","90","","104.185","0.001","90","","2716","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η6-p-cymene)(2-(((2-((7-chloroquinolin-4-yl)amino)ethyl)imino)methyl)-4-iodo-phenol))chloroosmium(II)","","- C28 H28 Cl2 I N3 O Os -","- C28 H28 Cl2 I N3 O Os -","- C112 H112 Cl8 I4 N12 O4 Os4 -","4","1","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","","0.71073","MoKα","","0.0407","0.0266","","","0.0425","0.0462","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036556","9.3205","0.0014","15.822","0.005","18.804","0.005","90","","103.675","0.018","90","","2694.4","1.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η6-p-cymene)(N-(2-((5-chloro-2-hydroxyphenyl)methylimino)ethyl)-7-chloroquinolin-4-amine) chlororuthenium(II)","","- C28 H28 Cl3 N3 O Ru -","- C28 H28 Cl3 N3 O Ru -","- C112 H112 Cl12 N12 O4 Ru4 -","4","1","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","x-ray","0.71073","MoKα","","0.1136","0.0415","","","0.0647","0.0886","","","","1.07","1.07","1.05","","","","has coordinates","288070","2023-12-06","12:57:47",""
"7036557","8.9756","0.0016","15.207","0.003","18.917","0.003","90","","103.018","0.002","90","","2515.7","0.8","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","Cymene chloroquinoline ruthenium","","","- C28 H29 Cl2 N3 O Ru -","- C28 H29 Cl2 N3 O Ru -","- C112 H116 Cl8 N12 O4 Ru4 -","4","2","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","x-ray","0.71073","MoKα","","0.0312","0.0279","","","0.0652","0.067","","","","1.22","1.22","1.2","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036558","6.5071","0.0011","18.214","0.003","22.628","0.004","90","","91.422","0.002","90","","2681.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η6-p-cymene)(N-(2-((5-iodo-2-hydroxyphenyl)methylimino)ethyl)-7-chloroquinolin-4-amine) chlororuthenium(II)","","- C28 H28 Cl2 I N3 O Ru -","- C28 H28 Cl2 I N3 O Ru -","- C112 H112 Cl8 I4 N12 O4 Ru4 -","4","1","","Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe","Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19314","19329","10.1039/c5dt02410b","","","0.71073","MoKα","","0.0333","0.0282","","","0.0691","0.0719","","","","","","1.06","","","","has coordinates","171215","2020-10-21","18:00:00",""
"7036559","5.172556","0.00009","5.172556","0.00009","11.39257","0.0002","90","","90","","90","","304.812","0.009","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ag Lu Mo2 O8 -","- Ag Lu Mo2 O8 -","- Ag2 Lu2 Mo4 O16 -","2","0.125","","Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping","Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18078","18089","10.1039/c5dt02760h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","1.835","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7036560","5.26334","0.000022","5.26334","0.000022","11.543334","0.000056","90","","90","","90","","319.782","0.002","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ag Eu Mo2 O8 -","- Ag Eu Mo2 O8 -","- Ag2 Eu2 Mo4 O16 -","2","0.125","","Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping","Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18078","18089","10.1039/c5dt02760h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.26","3.861","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7036561","5.10332","0.00011","5.10332","0.00011","11.0829","0.00027","90","","90","","90","","288.642","0.011","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Li Lu Mo2 O8 -","- Li Lu Mo2 O8 -","- Li2 Lu2 Mo4 O16 -","2","0.125","","Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping","Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18078","18089","10.1039/c5dt02760h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.9","2.445","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7036562","5.202625","0.000016","5.202625","0.000016","11.338236","0.000045","90","","90","","90","","306.896","0.0018","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu Li Mo2 O8 -","- Eu Li Mo2 O8 -","- Eu2 Li2 Mo4 O16 -","2","0.125","","Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S.; Jing, Xiping","Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18078","18089","10.1039/c5dt02760h","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.34","2.748","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7036563","11.144","0.0003","15.7198","0.0003","11.5351","0.0003","90","","116.66","0.004","90","","1805.9","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Br N4 O5 Re -","- C13 H16 Br N4 O5 Re -","- C52 H64 Br4 N16 O20 Re4 -","4","1","","Gómez-Iglesias, Patricia; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Amidino ligands obtained from the coupling of 1-methylcytosine and nitrile: a new method to incorporate biomolecules into luminescent Re(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17478","17481","10.1039/c5dt03221k","","x-ray","0.71073","MoKα","","0.0358","0.0254","","","0.0427","0.0464","","","","","","1.021","","","","has coordinates","161973","2020-10-21","18:00:00",""
"7036564","14.4724","0.0003","12.4285","0.0002","20.5504","0.0005","90","","90","","90","","3696.41","0.13","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H13 B F4 N5 O4 Re -","- C12 H13 B F4 N5 O4 Re -","- C96 H104 B8 F32 N40 O32 Re8 -","8","1","","Gómez-Iglesias, Patricia; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Amidino ligands obtained from the coupling of 1-methylcytosine and nitrile: a new method to incorporate biomolecules into luminescent Re(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17478","17481","10.1039/c5dt03221k","","x-ray","0.71073","MoKα","","0.054","0.032","","","0.0659","0.0753","","","","","","1.029","","","","has coordinates,has disorder","161973","2020-10-21","18:00:00",""
"7036565","25.437","0.003","11.2439","0.0014","20.37","0.003","90","","113.009","0.002","90","","5362.5","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Co3 N10 O14 P2 -","- C46 H54 Co3 N10 O14 P2 -","- C184 H216 Co12 N40 O56 P8 -","4","0.5","","Feng, Jian-Shen; Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Racemic cobalt phosphonates incorporating flexible bis(imidazole) co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18122","18129","10.1039/c5dt03046c","","","0.71073","MoKα","","0.1008","0.0853","","","0.2428","0.2647","","","","","","1.003","","","","has coordinates","171180","2020-10-21","18:00:00",""
"7036566","14.015","0.006","18.465","0.008","10.743","0.005","90","","93.399","0.007","90","","2775","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Co3 N10 O18 P2 -","- C48 H66 Co3 N10 O18 P2 -","- C96 H132 Co6 N20 O36 P4 -","2","0.5","","Feng, Jian-Shen; Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Racemic cobalt phosphonates incorporating flexible bis(imidazole) co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18122","18129","10.1039/c5dt03046c","","","0.71073","MoKα","","0.1363","0.0749","","","0.1521","0.1783","","","","","","1.003","","","","has coordinates","171180","2020-10-21","18:00:00",""
"7036567","13.6927","0.0006","38.9262","0.0015","10.7667","0.0004","90","","91.788","0.001","90","","5735.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Co3 N10 O19 P2 -","- C48 H68 Co3 N10 O19 P2 -","- C192 H272 Co12 N40 O76 P8 -","4","1","","Feng, Jian-Shen; Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Racemic cobalt phosphonates incorporating flexible bis(imidazole) co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18122","18129","10.1039/c5dt03046c","","","0.71073","MoKα","","0.1251","0.0525","","","0.0935","0.115","","","","","","1.001","","","","has coordinates","171180","2020-10-21","18:00:00",""
"7036568","13.7252","0.0011","10.8762","0.0009","19.5255","0.0016","90","","106.598","0.001","90","","2793.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Co3 N10 O18 P2 -","- C48 H66 Co3 N10 O18 P2 -","- C96 H132 Co6 N20 O36 P4 -","2","0.5","","Feng, Jian-Shen; Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Racemic cobalt phosphonates incorporating flexible bis(imidazole) co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18122","18129","10.1039/c5dt03046c","","","0.71073","MoKα","","0.1229","0.05","","","0.0704","0.0854","","","","","","1.003","","","","has coordinates","171180","2020-10-21","18:00:00",""
"7036569","11.065","0.003","17.559","0.004","18.813","0.003","90","","93.44","0.04","90","","3648.6","1.4","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Cl3 N4 Ti3 Zr -","- C30 H47 Cl3 N4 Ti3 Zr -","- C120 H188 Cl12 N16 Ti12 Zr4 -","4","1","","Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Homo and heteropolymetallic Group 4 molecular nitrides.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18145","18157","10.1039/c5dt02836a","","x-ray","0.71073","MoKα","","0.1139","0.0542","","","0.1137","0.1337","","","","","","0.986","","","","has coordinates","171200","2020-10-21","18:00:00",""
"7036570","11.5966","0.0006","11.7721","0.0005","17.3188","0.0019","81.304","0.005","87.722","0.006","66.101","0.004","2136.1","0.3","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H63 N5 Si2 Ti4 -","- C36 H63 N5 Si2 Ti4 -","- C72 H126 N10 Si4 Ti8 -","2","1","","Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Homo and heteropolymetallic Group 4 molecular nitrides.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18145","18157","10.1039/c5dt02836a","","x-ray","0.71073","MoKα","","0.0817","0.0493","","","0.1242","0.1389","","","","","","1.036","","","","has coordinates","171200","2020-10-21","18:00:00",""
"7036571","23.94","0.005","18.507","0.002","21.328","0.003","90","","97.63","0.01","90","","9366","3","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 Cl2 Mg N4 Ti3 Zr -","- C47 H64 Cl2 Mg N4 Ti3 Zr -","- C376 H512 Cl16 Mg8 N32 Ti24 Zr8 -","8","2","","Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Homo and heteropolymetallic Group 4 molecular nitrides.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18145","18157","10.1039/c5dt02836a","","x-ray","0.71073","MoKα","","0.1399","0.0547","","","0.126","0.16","","","","","","1.011","","","","has coordinates","171200","2020-10-21","18:00:00",""
"7036572","16.515","0.002","16.515","0.002","17.886","0.003","90","","90","","120","","4224.7","1","200","2","200","2","","","","","","","synthesis as described","8","P -3","-P 3","147","","","","- C84 H113 Cl3 K N4 O6 Ti3 Zr -","- C78 H107.01 Cl3 K N4 O6 Ti3 Zr -","- C156 H214.02 Cl6 K2 N8 O12 Ti6 Zr2 -","2","0.333333","","Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Homo and heteropolymetallic Group 4 molecular nitrides.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18145","18157","10.1039/c5dt02836a","","x-ray","0.71073","MoKα","","0.0905","0.0658","","","0.119","0.1284","","","","","","1.15","","","","has coordinates","171200","2020-10-21","18:00:00",""
"7036574","15.528","0.0002","13.7243","0.0001","17.6847","0.0002","90","","100.521","0.001","90","","3705.44","0.07","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H18 Cl N2 O0.5 Pt -","- C23 H18 Cl N2 O0.5 Pt -","- C184 H144 Cl8 N16 O4 Pt8 -","8","1","","Stoccoro, Sergio; Maidich, Luca; Ruiu, Tiziana; Cinellu, Maria Agostina; Clarkson, Guy James; Zucca, Antonio","Chiral cyclometalation of 6-(1-phenylbenzyl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18001","18011","10.1039/c5dt02483h","","x-ray","0.71073","MoKα","","0.041","0.0262","","","0.0631","0.078","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036575","23.091","0.006","24.427","0.006","23.572","0.006","90","","90.321","0.004","90","","13295","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C123 H111 Fe8 N8 O28 -","- C123 H104 Fe8 N8 O28 -","- C492 H416 Fe32 N32 O112 -","4","1","","Ahmed, Naushad; Upadhyay, Apoorva; Rajeshkumar, Thayalan; Vaidya, Shefali; Schnack, Jürgen; Rajaraman, Gopalan; Shanmugam, Maheswaran","Carboxylate free μ-oxo bridged ferric wheel with a record exchange coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18743","18747","10.1039/c5dt02695d","","","0.7107","MoKα","","0.1085","0.0841","","","0.1932","0.2088","","","","","","1.088","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7036576","9.994","0.003","14.749","0.004","20.746","0.006","90","","93.793","0.006","90","","3051.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H37 Cl Co F5 N3 -","- C27.5 H37 Cl Co F5 N3 -","- C110 H148 Cl4 Co4 F20 N12 -","4","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.2203","0.076","","","0.1887","0.2751","","","","","","0.966","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036577","19.029","0.005","19.75","0.005","16.221","0.004","90","","117.007","0.006","90","","5431","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Co F5 N3 -","- C25 H36 Co F5 N3 -","- C200 H288 Co8 F40 N24 -","8","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.2052","0.0903","","","0.2338","0.3388","","","","","","0.935","","","","has coordinates","171190","2020-10-21","18:00:00",""
"7036578","16.136","0.006","15.686","0.005","20.361","0.007","90","","90","","90","","5154","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 F5 Li N3 -","- C24 H33 F5 Li N3 -","- C192 H264 F40 Li8 N24 -","8","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1918","0.0713","","","0.1824","0.2835","","","","","","0.982","","","","has coordinates,has disorder","171190","2020-10-21","18:00:00",""
"7036579","12.4195","0.0019","19.505","0.003","23.26","0.003","65.658","0.003","87.724","0.003","86.802","0.003","5124.8","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H58 Cl Co F10 Li N2 O3 -","- C48 H58 Cl Co F10 Li N2 O3 -","- C192 H232 Cl4 Co4 F40 Li4 N8 O12 -","4","2","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.2427","0.0806","","","0.1857","0.2626","","","","","","0.947","","","","has coordinates","171190","2020-10-21","18:00:00",""
"7036580","17.693","0.003","10.1552","0.0017","15.929","0.003","90","","108.922","0.003","90","","2707.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Co F5 N6 -","- C24 H33 Co F5 N6 -","- C96 H132 Co4 F20 N24 -","4","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1288","0.0584","","","0.1229","0.1569","","","","","","1.022","","","","has coordinates,has disorder","171190","2020-10-21","18:00:00",""
"7036581","10.5988","0.0004","11.3054","0.0004","14.5494","0.0005","78.472","0.001","81.181","0.001","67.493","0.001","1572.39","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 F5 Li N O3 -","- C30 H41 F5 Li N O3 -","- C60 H82 F10 Li2 N2 O6 -","2","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1766","0.0628","","","0.1818","0.2378","","","","","","1.009","","","","has coordinates","171190","2020-10-21","18:00:00",""
"7036582","12.6998","0.0007","17.6511","0.0009","20.9304","0.0011","90","","90","","90","","4691.9","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H53 Co F10 N4 Na O -","- C43 H53 Co F10 N4 Na O -","- C172 H212 Co4 F40 N16 Na4 O4 -","4","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1754","0.0557","","","0.0892","0.1205","","","","","","0.91","","","","has coordinates","171190","2020-10-21","18:00:00",""
"7036583","12.442","0.0003","17.257","0.0003","19.704","0.0005","90","","90","","90","","4230.68","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Dy N15 O18 -","- C24 H12 Dy N15 O18 -","- C96 H48 Dy4 N60 O72 -","4","0.5","","Jung, J.; Yi, X.; Huang, G.; Calvez, G.; Daiguebonne, C.; Guillou, O.; Cador, O.; Caneschi, A.; Roisnel, T.; Le Guennic, B.; Bernot, K.","Analysis of the electrostatics in Dy(III) single-molecule magnets: the case study of Dy(Murex)3.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18270","18275","10.1039/c5dt03345d","","x-ray","0.71073","MoKα","","0.0608","0.0406","","","0.143","0.1532","","","","","","1.073","","","","has coordinates","171191","2020-10-21","18:00:00",""
"7036584","14.2045","0.0018","27.355","0.004","23.153","0.003","90","","90","","90","","8996","2","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C66 H118 N4 S6 Si4 Sn4 -","- C66 H118 N4 S6 Si4 Sn4 -","- C264 H472 N16 S24 Si16 Sn16 -","4","0.5","","Zhong, Mingdong; Yang, Zhi; Yi, Yafei; Zhang, Dongxiang; Sun, Kening; Roesky, Herbert W.; Yang, Ying","Tin sulfide and selenide clusters soluble in organic solvents with the core structures of Sn4S6 and Sn4Se6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19800","19804","10.1039/c5dt03244j","","","0.71073","MoKα","","0.0651","0.062","","","0.1637","0.167","","","","","","1","","","","has coordinates","171135","2020-10-21","18:00:00",""
"7036585","23.528","0.005","14.278","0.003","27.858","0.005","90","","112.96","0.002","90","","8617","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H120 N4 O2 Se6 Si4 Sn4 -","- C68 H120 N4 O2 Se6 Si4 Sn4 -","- C272 H480 N16 O8 Se24 Si16 Sn16 -","4","0.5","","Zhong, Mingdong; Yang, Zhi; Yi, Yafei; Zhang, Dongxiang; Sun, Kening; Roesky, Herbert W.; Yang, Ying","Tin sulfide and selenide clusters soluble in organic solvents with the core structures of Sn4S6 and Sn4Se6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19800","19804","10.1039/c5dt03244j","","","0.71073","MoKα","","0.0563","0.0485","","","0.1276","0.1335","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7036586","28.987","0.008","28.987","0.008","54.1","0.02","90","","90","","120","","39367","2","100","2","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H266 Cd4 Cl16 N72 O65 Os4 -","- C336 H264 Cd4 Cl15 N72 O61 Os4 -","- C1008 H792 Cd12 Cl45 N216 O183 Os12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71075","MoKα","","0.1713","0.1527","","","0.427","0.4451","","","","","","1.715","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036587","28.9579","0.0016","28.9579","0.0016","52.757","0.003","90","","90","","120","","38313","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H266 Cl16 Co4 N72 O65 Os4 -","- C336 H264 Cl15 Co4 N72 O61 Os4 -","- C1008 H792 Cl45 Co12 N216 O183 Os12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71073","MoKα","","0.2219","0.1271","","","0.3825","0.4483","","","","","","1.267","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036588","34.091","0.002","34.091","0.002","35.5084","0.0017","90","","90","","120","","35739","3","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C339 H273 B16 Co4 F64 N75 O6 Ru4 -","- C339 H273 B12 Co4 F48 N75 O6 Ru4 -","- C1017 H819 B36 Co12 F144 N225 O18 Ru12 -","3","0.166667","","Wragg, Ashley B.; Metherell, Alexander J.; Cullen, William; Ward, Michael D.","Stepwise assembly of mixed-metal coordination cages containing both kinetically inert and kinetically labile metal ions: introduction of metal-centred redox and photophysical activity at specific sites.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17939","17949","10.1039/c5dt02957k","","","0.71073","MoKα","","0.1299","0.0773","","","0.2194","0.246","","","","","","0.97","","","","has coordinates,has disorder","171192","2020-10-21","18:00:00",""
"7036589","24.8437","0.001","23.3689","0.0009","23.9666","0.0009","90","","102.763","0.002","90","","13570.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Ge4 O14 Ru4 -","- C62 H76 Ge4 O14 Ru4 -","- C496 H608 Ge32 O112 Ru32 -","8","1","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.71073","MoKα","","0.0593","0.0439","","","0.1052","0.1132","","","","","","1.055","","","","has coordinates","161949","2020-10-21","18:00:00",""
"7036590","15.9082","0.0003","11.5304","0.0002","26.8321","0.0005","90","","94.447","0.001","90","","4906.94","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H66 I3 N9 Ni3 S6 -","- C33 H65.5 I3 N9 Ni3 S6 -","- C132 H262 I12 N36 Ni12 S24 -","4","2","","Warner, D. S.; Limberg, C.; Oldenburg, F. J.; Braun, B.","Reaction of a polydentate cysteine-based ligand and its nickel(ii) complex with electrophilic and nucleophilic methyl-transfer reagents - from S-methylation to acetyl coenzyme A synthase reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18378","18385","10.1039/c5dt02828k","","","0.71073","MoKα","","0.0547","0.0494","","","0.1384","0.1422","","","","","","1.051","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7036591","7.6096","0.0004","8.1378","0.0005","12.6006","0.0007","97.757","0.002","91.847","0.002","101.157","0.002","757.18","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H22 Br2 N2 Ni S2 -","- C10 H22 Br2 N2 Ni S2 -","- C20 H44 Br4 N4 Ni2 S4 -","2","2","","Warner, D. S.; Limberg, C.; Oldenburg, F. J.; Braun, B.","Reaction of a polydentate cysteine-based ligand and its nickel(ii) complex with electrophilic and nucleophilic methyl-transfer reagents - from S-methylation to acetyl coenzyme A synthase reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18378","18385","10.1039/c5dt02828k","","","0.71073","MoKα","","0.0281","0.028","","","0.0754","0.0755","","","","","","1.048","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7036592","11.5441","0.0004","10.2056","0.0004","21.1065","0.0007","90","","102.089","0.003","90","","2431.51","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Dy2 N8 Ni2 O28 -","- C30 H50 Dy2 N8 Ni2 O28 -","- C60 H100 Dy4 N16 Ni4 O56 -","2","0.5","","Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan","Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18544","18552","10.1039/c5dt03368c","","","0.71073","MoKα","","0.0575","0.0372","","","0.0845","0.0938","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036593","8.7774","0.0019","11.403","0.003","12.193","0.003","72.702","0.003","85.036","0.004","83.513","0.004","1155.9","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 N10 Ni2 O22 Tb2 -","- C32 H38 N10 Ni2 O22 Tb2 -","- C32 H38 N10 Ni2 O22 Tb2 -","1","0.5","","Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan","Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18544","18552","10.1039/c5dt03368c","","","0.71073","MoKα","","0.0383","0.031","","","0.0721","0.0822","","","","","","1.053","","","","has coordinates","171271","2020-10-21","18:00:00",""
"7036594","12.5549","0.0017","14.5434","0.0009","17.2581","0.0012","112.329","0.006","91.119","0.008","107.56","0.008","2746.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H150 Co2 Dy4 N0 O44 -","- C82 H152 Co2 Dy4 O44 -","- C82 H152 Co2 Dy4 O44 -","1","0.5","","Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan","Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18544","18552","10.1039/c5dt03368c","","","0.71073","MoKα","","0.0619","0.0479","","","0.1235","0.1386","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036595","8.7471","0.0004","11.3799","0.0005","12.1659","0.0006","72.73","0.004","84.913","0.004","83.476","0.004","1146.99","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Dy2 N10 Ni2 O22 -","- C32 H38 Dy2 N10 Ni2 O22 -","- C32 H38 Dy2 N10 Ni2 O22 -","1","0.5","","Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan","Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18544","18552","10.1039/c5dt03368c","","","0.71073","MOKα","","0.0302","0.0247","","","0.0545","0.058","","","","","","1.055","","","","has coordinates","171271","2020-10-21","18:00:00",""
"7036596","8.6829","0.0017","19.023","0.004","20.511","0.004","90","","102.13","0.03","90","","3312.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cd3 Cl2 N6 O9 -","- C31 H24 Cd3 Cl2 N6 O9 -","- C124 H96 Cd12 Cl8 N24 O36 -","4","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Yang, Yu Lin; Wang, Yu Lei","Advanced Cd(II) complexes as high efficiency co-sensitizers for enhanced dye-sensitized solar cell performance.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18187","18195","10.1039/c5dt02951a","","","0.71073","MoKα","","0.065","0.0465","","","0.1021","0.1077","","","","","","1.046","","","","has coordinates","171179","2020-10-21","18:00:00",""
"7036597","24.03","0.005","14.256","0.003","20.68","0.004","90","","90","","90","","7084","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H40 Cd1.5 N6 O15.5 -","- C30 H40 Cd1.5 N6 O15.5 -","- C240 H320 Cd12 N48 O124 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Yang, Yu Lin; Wang, Yu Lei","Advanced Cd(II) complexes as high efficiency co-sensitizers for enhanced dye-sensitized solar cell performance.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18187","18195","10.1039/c5dt02951a","","","0.71073","MoKα","","0.0689","0.0413","","","0.0847","0.0943","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036604","12.1787","0.0013","24.655","0.003","16.5874","0.0016","90","","126.153","0.019","90","","4021.6","1.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeL20e(py)2].py","","","- C47 H39 Fe N5 O4 -","- C47 H39 Fe N5 O4 -","- C188 H156 Fe4 N20 O16 -","4","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1277","0.0596","","","0.1202","0.1438","","","","","","0.931","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036605","11.9203","0.0013","24.713","0.003","16.2863","0.0016","90","","125.183","0.019","90","","3921.3","1.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeL20e(py)2].py","","","- C47 H39 Fe N5 O4 -","- C47 H39 Fe N5 O4 -","- C188 H156 Fe4 N20 O16 -","4","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1158","0.0571","","","0.1111","0.1295","","","","","","0.917","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036606","13.273","0.003","14.292","0.003","14.51","0.003","63.065","0.015","69.534","0.015","78.915","0.016","2297.1","0.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","(μ-O)[FeL1]2","","","- C48 H48 Fe2 N4 O13 -","- C48 H48 Fe2 N4 O13 -","- C96 H96 Fe4 N8 O26 -","2","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71073","MoKα","","0.1097","0.0515","","","0.1049","0.1202","","","","","","0.851","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036607","11.5899","0.0007","11.9233","0.0007","14.3604","0.0009","77.012","0.005","88.09","0.005","84.122","0.005","1923.4","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL20a(phpy)2]","","","- C46 H42 Fe N4 O6 -","- C46 H42 Fe N4 O6 -","- C92 H84 Fe2 N8 O12 -","2","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1224","0.0732","","","0.1575","0.1785","","","","","","0.941","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036608","9.027","0.001","12.475","0.001","17.885","0.002","89.132","0.01","85.598","0.01","85.422","0.01","2001.6","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","(μ-O)[FeL20i]","","","- C44 H40 Fe2 N4 O13 -","- C44 H40 Fe2 N4 O13 -","- C88 H80 Fe4 N8 O26 -","2","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1222","0.0861","","","0.2175","0.2431","","","","","","0.864","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036609","11.697","0.005","15.864","0.005","10.566","0.005","90","","90","","90","","1960.6","1.4","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeL20b]","","","- C22 H20 Fe N2 O4 -","- C22 H20 Fe N2 O4 -","- C88 H80 Fe4 N8 O16 -","4","0.5","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1601","0.0851","","","0.1989","0.2361","","","","","","0.983","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036610","7.838","0.005","12.33","0.005","21.17","0.005","88.11","0.005","87.73","0.005","86.92","0.005","2040.4","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","H2L20b","","","- C46 H48 N4 O10 -","- C46 H48 N4 O10 -","- C92 H96 N8 O20 -","2","1","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71073","MoKα","","0.1087","0.0526","","","0.1299","0.1664","","","","","","1.045","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036611","28.083","0.005","12.058","0.005","22.071","0.005","90","","112.568","0.005","90","","6901","3","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeL20i(py)2].py","","","- C37 H35 Fe N5 O6 -","- C37 H35 Fe N5 O6 -","- C296 H280 Fe8 N40 O48 -","8","2","","Lochenie, Charles; Heinz, Julia; Milius, Wolfgang; Weber, Birgit","Iron(ii) spin crossover complexes with diaminonaphthalene-based Schiff base-like ligands: mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18065","18077","10.1039/c5dt03048j","","","0.71069","MoKα","","0.1359","0.0788","","","0.2073","0.2699","","","","","","1.081","","","","has coordinates","171189","2020-10-21","18:00:00",""
"7036612","19.7419","0.0018","22.174","0.002","33.727","0.003","90","","90","","90","","14764","2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu Er3 F66 N8 O38 -","- C115 H95 Cu Er3 F66 N8 O38 -","- C460 H380 Cu4 Er12 F264 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0396","0.0376","","","0.0984","0.0998","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036613","19.808","0.002","22.168","0.003","33.918","0.004","90","","90","","90","","14894","3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu F66 Gd3 N8 O38 -","- C115 H95 Cu F66 Gd3 N8 O38 -","- C460 H380 Cu4 F264 Gd12 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0473","0.0449","","","0.1151","0.1168","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036614","19.801","0.0014","22.1604","0.0016","33.851","0.003","90","","90","","90","","14854","2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu F66 N8 O38 Tb3 -","- C115 H95 Cu F66 N8 O38 Tb3 -","- C460 H380 Cu4 F264 N32 O152 Tb12 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0385","0.0357","","","0.0784","0.0799","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036615","19.771","0.002","22.179","0.002","33.842","0.004","90","","90","","90","","14840","3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu Dy3 F66 N8 O38 -","- C115 H95 Cu Dy3 F66 N8 O38 -","- C460 H380 Cu4 Dy12 F264 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0563","0.0517","","","0.1362","0.1396","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036616","17.361","0.0006","10.3225","0.0004","9.2567","0.0003","90","","92.41","0.01","90","","1657.42","0.1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N4 Ni O2 -","- C36 H50 N4 Ni O2 -","- C72 H100 N8 Ni2 O4 -","2","0.5","","Benisvy, Laurent; Zats, Galina M.; Fleker, Ohad; Yufit, Dmitry S.; Orio, Maylis; Romanenko, Galina; Ovcharenko, Victor","X-ray structure of a Ni(ii)-tri-phenoxyl radical complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17924","17926","10.1039/c5dt03131a","","x-ray","0.71073","MOKα","K-L~3~","0.0639","0.0448","","","0.1121","0.1261","","","","","","1.01","","","","has coordinates,has disorder","171194","2020-10-21","18:00:00",""
"7036617","15.0749","0.0006","15.0749","0.0006","54.398","0.002","90","","90","","120","","10705.9","0.7","110","2","110","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2 -","- C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2 -","- C338.4 H478.8 Cl28.8 F72 N36 Ni6 O18 Sb12 -","6","0.333333","","Benisvy, Laurent; Zats, Galina M.; Fleker, Ohad; Yufit, Dmitry S.; Orio, Maylis; Romanenko, Galina; Ovcharenko, Victor","X-ray structure of a Ni(ii)-tri-phenoxyl radical complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17924","17926","10.1039/c5dt03131a","","","0.71073","MoKα","","0.0538","0.0468","","","0.1115","0.1178","","","","","","1.175","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036618","3.4751","0.0005","7.7427","0.0007","12.428","0.0014","101.48","0.02","96.04","0.02","96.73","0.02","322.6","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Mn(aminopyrazine)2(N3)2]n","","","- C8 H10 Mn N12 -","- C8 H10 Mn N12 -","- C8 H10 Mn N12 -","1","0.5","","Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon","Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18632","18642","10.1039/c5dt03034j","","","0.71073","MoKα","","0.0463","0.0452","","","0.11","0.1107","","","","","","1.158","","","","has coordinates","171267","2020-10-21","18:00:00",""
"7036619","8.245","0.0003","8.305","0.0003","11.9444","0.0005","82.612","0.002","69.905","0.002","80.754","0.002","755.74","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Mn(N3)2(4-Azpy)2]n","","","- C10 H8 Mn N14 -","- C10 H8 Mn N14 -","- C20 H16 Mn2 N28 -","2","1","","Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon","Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18632","18642","10.1039/c5dt03034j","","","0.71073","MoKα","","0.0424","0.0291","","","0.0627","0.0688","","","","","","1.048","","","","has coordinates","171267","2020-10-21","18:00:00",""
"7036620","37.0077","0.0013","19.0045","0.0007","17.0615","0.0006","90","","112.212","0.002","90","","11109.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn5(N3)10(4-Bzpy)10]n","","","- C120 H90 Mn5 N40 O10 -","- C120 H90 Mn5 N40 O10 -","- C480 H360 Mn20 N160 O40 -","4","0.5","","Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon","Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18632","18642","10.1039/c5dt03034j","","","0.71073","MoKα","","0.1095","0.0455","","","0.1129","0.1656","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036621","7.8582","0.0016","21.123","0.004","9.834","0.002","90","","102.49","0.03","90","","1593.7","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H28 F3 N4 O8 Re S3 -","- C28 H28 F3 N4 O8 Re S3 -","- C56 H56 F6 N8 O16 Re2 S6 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0139","0.0138","","","0.0345","0.0346","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036622","10.086","0.002","13.533","0.003","16.015","0.003","90","","103.95","0.03","90","","2121.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl N2 O4 Re S2 -","- C21 H18 Cl N2 O4 Re S2 -","- C84 H72 Cl4 N8 O16 Re4 S8 -","4","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0236","0.0193","","","0.0397","0.0412","","","","","","1.044","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7036623","18.6722","0.0013","9.9873","0.0007","17.2914","0.0012","90","","114.753","0.001","90","","2928.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N4 O6 Re S4 -","- C25 H22 F3 N4 O6 Re S4 -","- C100 H88 F12 N16 O24 Re4 S16 -","4","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0283","0.0257","","","0.0669","0.069","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036624","8.3797","0.0017","17.271","0.004","24.802","0.005","90","","96.2","0.03","90","","3568.5","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H32 F3 N3 O7.5 Re S4 -","- C31.5 H29 F3 N3 O7.5 Re S4 -","- C126 H116 F12 N12 O30 Re4 S16 -","4","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.104","0.0853","","","0.1867","0.1953","","","","","","1.244","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036625","8.0661","0.0016","14.506","0.003","16.119","0.003","95.31","0.03","93.94","0.03","101.67","0.03","1831.7","0.7","546","2","546","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Ag F6 N3 O9 Re S5 -","- C28 H23 Ag F6 N3 O9 Re S5 -","- C56 H46 Ag2 F12 N6 O18 Re2 S10 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.11","0.0793","","","0.1886","0.2084","","","","","","1.039","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7036626","8.1847","0.0016","10.773","0.002","18.113","0.004","81.82","0.03","85.44","0.03","89.33","0.03","1575.8","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H25 Cl2 F6 N3 O4 P Re S2 -","- C27 H25 Cl2 F6 N3 O4 P Re S2 -","- C54 H50 Cl4 F12 N6 O8 P2 Re2 S4 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0371","0.0323","","","0.0677","0.0693","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036627","8.1899","0.0016","13.885","0.003","20.188","0.004","90","","97","0.03","90","","2278.6","0.8","100","2","100","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C37 H41 Ag F6 N3 O13 Re S4 -","- C37 H41 Ag F6 N3 O13 Re S4 -","- C74 H82 Ag2 F12 N6 O26 Re2 S8 -","2","1","","Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción","Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18506","18517","10.1039/c5dt02723c","","","0.71073","MoKα","","0.0699","0.0547","","","0.096","0.1018","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036628","12.0836","0.0019","12.587","0.002","16.363","0.003","87.699","0.008","69.461","0.005","70.611","0.006","2190.2","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 Ce N8 O11 S2 Zn2 -","- C40 H39 Ce N8 O11 S2 Zn2 -","- C80 H78 Ce2 N16 O22 S4 Zn4 -","2","1","","Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18276","18283","10.1039/c5dt03148f","","","0.71075","MoKα","","0.0622","0.0557","","","0.1394","0.1469","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036629","12.0853","0.0011","12.5724","0.0014","16.3404","0.0017","87.928","0.004","69.558","0.003","70.611","0.003","2185.5","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 N8 O11 Pr S2 Zn2 -","- C40 H39 N8 O11 Pr S2 Zn2 -","- C80 H78 N16 O22 Pr2 S4 Zn4 -","2","1","","Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18276","18283","10.1039/c5dt03148f","","","0.71075","MoKα","","0.0431","0.0374","","","0.0878","0.0918","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036630","12.0855","0.0019","12.552","0.002","16.34","0.003","87.999","0.006","69.453","0.005","70.683","0.005","2181.1","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 N8 Nd O11 S2 Zn2 -","- C40 H39 N8 Nd O11 S2 Zn2 -","- C80 H78 N16 Nd2 O22 S4 Zn4 -","2","1","","Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18276","18283","10.1039/c5dt03148f","","","0.71075","MoKα","","0.0548","0.0449","","","0.0943","0.0999","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036631","12.0861","0.0012","12.5205","0.0015","16.3338","0.0018","88.163","0.005","69.476","0.004","70.607","0.003","2173.5","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H39 N8 O11 S2 Sm Zn2 -","- C40 H39 N8 O11 S2 Sm Zn2 -","- C80 H78 N16 O22 S4 Sm2 Zn4 -","2","1","","Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18276","18283","10.1039/c5dt03148f","","","0.71075","MoKα","","0.0442","0.0378","","","0.0873","0.0916","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036632","18.2507","0.0009","18.1651","0.0006","18.8518","0.0007","90","","90","","90","","6249.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ManganeseMOF","","","- C25 H29 Mn2 N3 O13 -","- C25 H29 Mn2 N3 O13 -","- C200 H232 Mn16 N24 O104 -","8","1","","Asha, K. S.; Ranjith, K. M.; Yogi, Arvind; Nath, R.; Mandal, Sukhendu","Magnetic properties of manganese based one-dimensional spin chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19812","19819","10.1039/c5dt03080c","","","0.71073","MoKα","","0.0895","0.0476","","","0.1225","0.1528","","","","","","1.003","","","","has coordinates","171120","2020-10-21","18:00:00",""
"7036633","13.6353","0.0003","10.2259","0.0003","17.6925","0.0004","90","","90.704","0.001","90","","2466.74","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ManganeseMOF","","","- C22 H22 Mn2 N2 O10 -","- C22 H22 Mn2 N2 O10 -","- C88 H88 Mn8 N8 O40 -","4","1","","Asha, K. S.; Ranjith, K. M.; Yogi, Arvind; Nath, R.; Mandal, Sukhendu","Magnetic properties of manganese based one-dimensional spin chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19812","19819","10.1039/c5dt03080c","","","0.71073","MoKα","","0.0432","0.0308","","","0.0787","0.0911","","","","","","1.114","","","","has coordinates","171120","2020-10-21","18:00:00",""
"7036634","10.6779","0.0001","8.7893","0.0001","15.0409","0.0002","90","","90","","90","","1411.61","0.03","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H10 N4 -","- C5 H10 N4 -","- C40 H80 N32 -","8","1","","Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.","Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18518","18526","10.1039/c5dt02871j","","","0.71073","MoKα","","0.0329","0.0306","","","0.0842","0.0867","","","","","","1.007","","","","has coordinates","171276","2020-10-21","18:00:00",""
"7036635","11.2988","0.0001","12.5702","0.0001","12.5849","0.0001","89.7679","0.0005","76.6828","0.0005","85.2409","0.0005","1733.14","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H42 B2 Cu F8 N16 O -","- C20 H42 B2 Cu F8 N16 O -","- C40 H84 B4 Cu2 F16 N32 O2 -","2","1","","Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.","Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18518","18526","10.1039/c5dt02871j","","","0.71073","MoKα","","0.0335","0.0302","","","0.0803","0.0822","","","","","","1.042","","","","has coordinates,has disorder","171276","2020-10-21","18:00:00",""
"7036636","13.9962","0.0001","13.9962","0.0001","28.8072","0.0003","90","","90","","120","","4887.11","0.07","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H72 B6 Cu3 F24 N24 O6 -","- C30 H72 B6 Cu3 F24 N24 O6 -","- C90 H216 B18 Cu9 F72 N72 O18 -","3","0.166667","","Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.","Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18518","18526","10.1039/c5dt02871j","","","0.71073","MoKα","","0.0389","0.0345","","","0.0949","0.0979","","","","","","1.051","","","","has coordinates","171276","2020-10-21","18:00:00",""
"7036637","13.884","0.004","27.64","0.008","7.651","0.003","90","","90","","90","","2936.1","1.7","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C48 H80 I32 N32 -","8","1","","Węcławik, M; Szklarz, P.; Medycki, W.; Janicki, R.; Piecha-Bisiorek, A; Zieliński, P; Jakubas, R.","Unprecedented transformation of [I(-)·I3(-)] to [I4(2-)] polyiodides in the solid state: structures, phase transitions and characterization of dipyrazolium iodide triiodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18447","18458","10.1039/c5dt02265g","","","0.71073","MoKα","","0.0388","0.0267","","","0.0575","0.0604","","","","","","1.03","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7036638","14.162","0.006","7.913","0.003","13.627","0.004","90","","90","","90","","1527.1","1","295","2","295","2","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C24 H40 I16 N16 -","4","0.25","","Węcławik, M; Szklarz, P.; Medycki, W.; Janicki, R.; Piecha-Bisiorek, A; Zieliński, P; Jakubas, R.","Unprecedented transformation of [I(-)·I3(-)] to [I4(2-)] polyiodides in the solid state: structures, phase transitions and characterization of dipyrazolium iodide triiodide.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18447","18458","10.1039/c5dt02265g","","","0.71073","MoKα","","0.0765","0.0392","","","0.095","0.1144","","","","","","1.005","","","","has coordinates,has disorder","171278","2020-10-21","18:00:00",""
"7036639","19.659","0.004","13.415","0.003","15.608","0.003","90","","100.608","0.003","90","","4045.9","1.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Am Cl3 N6 O21 -","- C24 H48 Am Cl3 N6 O21 -","- C96 H192 Am4 Cl12 N24 O84 -","4","0.5","","Tian, Guoxin; Shuh, David K.; Beavers, Christine M.; Teat, Simon J.","A structural and spectrophotometric study on the complexation of Am(iii) with TMOGA in comparison with the extracted complex of DMDOOGA.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18469","18474","10.1039/c4dt02882a","","","0.7749","synchrotron","","0.0539","0.0428","","","0.111","0.1167","","","","","","1.004","","","","has coordinates,has disorder","171265","2020-10-21","18:00:00",""
"7036640","16.0414","0.0009","9.4516","0.0003","22.7388","0.0016","90","","102.12","0.007","90","","3370.7","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 As2 Cl3 N Ru S -","- C36 H30 As2 Cl3 N Ru S -","- C144 H120 As8 Cl12 N4 Ru4 S4 -","4","0.5","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","","1.54178","CuKα","","0.0356","0.0321","","","0.0907","0.0925","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036641","10.7021","0.0004","12.893","0.0005","13.9385","0.0005","77.871","0.003","87.759","0.003","78.802","0.003","1844.53","0.12","99.9","0.5","99.9","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 As2 Cl5 N Ru Se -","- C37 H32 As2 Cl5 N Ru Se -","- C74 H64 As4 Cl10 N2 Ru2 Se2 -","2","1","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","x-ray","0.71073","MoKα","","0.0521","0.0387","","","0.0767","0.0825","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036642","14.3179","0.0015","9.3685","0.001","18.4542","0.0019","90","","91.968","0.001","90","","2473.9","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 Cl3 N3 P4 Ru S5 -","- C49 H40 Cl3 N3 P4 Ru S5 -","- C98 H80 Cl6 N6 P8 Ru2 S10 -","2","0.5","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","x-ray","0.71073","MoKα","","0.0627","0.0547","","","0.1501","0.1549","","","","","","1.001","","","","has coordinates,has disorder","171269","2020-10-21","18:00:00",""
"7036643","13.3977","0.0002","28.4018","0.0004","19.903","0.0003","90","","107.605","0.002","90","","7218.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H112 Cl N5 P8 Ru2 S8 -","- C48 H112 Cl N5 P8 Ru2 S8 -","- C192 H448 Cl4 N20 P32 Ru8 S32 -","4","1","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","","1.54178","CuKα","","0.0513","0.0403","","","0.0936","0.0958","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036644","14.40074","0.00014","15.5683","0.00018","13.23672","0.00014","90","","90","","90","","2967.61","0.05","203.01","0.1","203.01","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C17 H30 Cl2 Co N O9 P3 Ru Se -","- C17 H30 Cl2 Co N O9 P3 Ru Se -","- C68 H120 Cl8 Co4 N4 O36 P12 Ru4 Se4 -","4","1","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","x-ray","1.54184","CuKα","","0.0309","0.0275","","","0.0658","0.0678","","","","","","1.003","","","","has coordinates,has disorder","171269","2020-10-21","18:00:00",""
"7036645","22.7799","0.0004","15.6193","0.0003","27.8342","0.0005","90","","102.879","0.0018","90","","9654.4","0.3","99.97","0.11","99.97","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66.5 H149.5 N5 O0.25 P8 Ru2 S8 -","- C64 H144 N5 P8 Ru2 S8 -","- C256 H576 N20 P32 Ru8 S32 -","4","0.5","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","x-ray","1.54184","CuKα","","0.0293","0.0258","","","0.07","0.0721","","","","","","1.001","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036655","9.5699","0.0019","10.094","0.002","12.494","0.003","101.63","0.03","104.74","0.03","110.9","0.03","1031.7","0.6","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cl4 I4 N8 Pt2 -","- C28 H34 Cl4 I4 N8 Pt2 -","- C28 H34 Cl4 I4 N8 Pt2 -","1","0.5","","Maity, Ramananda; Tichter, Tim; van der Meer, Margarethe; Sarkar, Biprajit","C-H activation in Ir(III) and N-demethylation in Pt(II) complexes with mesoionic carbene ligands: examples of monometallic, homobimetallic and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18311","18315","10.1039/c5dt03285g","","","0.71073","MoKα","","0.0294","0.0251","","","0.0643","0.0664","","","","","","1.04","","","","has coordinates","171280","2020-10-21","18:00:00",""
"7036656","11.9408","0.0009","31.183","0.002","14.8638","0.0011","90","","93.576","0.001","90","","5523.8","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 F6 Ir N2 O7 P5 Si -","- C50 H68 F6 Ir N2 O7 P5 Si -","- C200 H272 F24 Ir4 N8 O28 P20 Si4 -","4","1","","Passarelli, Vincenzo; Pérez-Torrente, Jesús J; Oro, Luis A.","Intramolecular C-H oxidative addition to iridium(i) triggered by trimethyl phosphite in N,N'-diphosphanesilanediamine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18596","18606","10.1039/c5dt02886h","","","0.71073","MoKα","","0.0513","0.0354","","","0.0787","0.0872","","","","","","1.049","","","","has coordinates","171283","2020-10-21","18:00:00",""
"7036657","9.6468","0.0004","11.2237","0.0005","29.9461","0.0011","90","","91.21","0.002","90","","3241.6","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PPh2Me)(OTf)Ni[CF(PPh2Me)(CF2)3]","","- C31 H26 F10 Ni O3 P2 S -","- C31 H26 F10 Ni O3 P2 S -","- C124 H104 F40 Ni4 O12 P8 S4 -","4","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0943","0.0462","","","0.0897","0.1036","","","","","","1.017","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036658","10.3161","0.0013","10.3161","0.0013","15.584","0.002","90","","90","","90","","1658.5","0.4","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(pyr)2Ni(C4F8)","","- C14 H10 F8 N2 Ni -","- C14 H10 F8 N2 Ni -","- C56 H40 F32 N8 Ni4 -","4","0.5","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0523","0.0313","","","0.067","0.0747","","","","","","0.993","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036659","12.478","0.002","14.166","0.003","18.643","0.003","90","","105.534","0.01","90","","3175","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2,4-(S),(Ph2P),Me(C6H3)]2Ni","","- C38 H32 Ni P2 S2 -","- C38 H32 Ni P2 S2 -","- C152 H128 Ni4 P8 S8 -","4","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0729","0.0387","","","0.0811","0.091","","","","","","1.009","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036660","5.7833","0.0003","30.5465","0.0014","10.9199","0.0006","90","","91.979","0.002","90","","1927.95","0.17","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Pyr)(OTf)Ni[CF(Pyr)(CF2)3]","","- C15 H10 F10 N2 Ni O3 S -","- C15 H10 F10 N2 Ni O3 S -","- C60 H40 F40 N8 Ni4 O12 S4 -","4","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0493","0.0348","","","0.0773","0.0824","","","","","","1.027","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036661","9.0623","0.0016","12.292","0.002","16.724","0.003","101.318","0.006","92.41","0.006","100.701","0.007","1789","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","[1,2,4-(S),(Ph2P),Me(C6H3)]Ni[CF(PPh3)(CF2)3]","","- C41 H31 F7 Ni P2 S -","- C41 H31 F7 Ni P2 S -","- C82 H62 F14 Ni2 P4 S2 -","2","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.1638","0.0802","","","0.1563","0.185","","","","","","1.127","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036662","9.3745","0.0006","19.0781","0.0011","18.2485","0.001","90","","91.2641","0.0019","90","","3262.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2,4-(S),(Ph2P),Me(C6H3)]Ni[CF(PPh2Me)(CF2)3]","","- C36 H29 F7 Ni P2 S -","- C36 H29 F7 Ni P2 S -","- C144 H116 F28 Ni4 P8 S4 -","4","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.1124","0.0518","","","0.104","0.1262","","","","","","1.006","","","","has coordinates","171168","2020-10-21","18:00:00",""
"7036663","22.8948","0.0006","13.9815","0.0004","34.7205","0.001","90","","103.643","0.0012","90","","10800.6","0.5","200","2","200","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","[1,2,4-(S),(Ph2P),Me(C6H3)]Ni(C4F8)(Na)(18-Crown-6)","","- C47 H64 F8 N0 Na Ni O9 P S -","- C47 H64 F8 Na Ni O9 P S -","- C376 H512 F64 Na8 Ni8 O72 P8 S8 -","8","1","","Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom","Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19587","19596","10.1039/c5dt02912k","","","0.71073","MoKα","","0.0841","0.0673","","","0.1772","0.1893","","","","","","1.059","","","","has coordinates,has disorder","171168","2020-10-21","18:00:00",""
"7036664","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Hu, Fei-Long; Shi, Yi-Xiang; Chen, Huan-Huan; Lang, Jian-Ping","A Zn(ii) coordination polymer and its photocycloaddition product: syntheses, structures, selective luminescence sensing of iron(iii) ions and selective absorption of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18795","18803","10.1039/c5dt03094c","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036665","13.25","0.003","14.522","0.003","15.93","0.003","90","","103.3","0.03","90","","2983","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O7 Zn -","- C34 H28 N2 O7 Zn -","- C136 H112 N8 O28 Zn4 -","4","1","","Hu, Fei-Long; Shi, Yi-Xiang; Chen, Huan-Huan; Lang, Jian-Ping","A Zn(ii) coordination polymer and its photocycloaddition product: syntheses, structures, selective luminescence sensing of iron(iii) ions and selective absorption of dyes.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18795","18803","10.1039/c5dt03094c","","","0.71073","MoKα","","0.1448","0.1071","","","0.185","0.2031","","","","","","1.21","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036666","13.388","0.003","20.097","0.004","16.261","0.003","90","","107.65","0.03","90","","4169.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H33 B F15 N O2 S -","- C46 H33 B F15 N O2 S -","- C184 H132 B4 F60 N4 O8 S4 -","4","1","","Khalimon, Andrey Y.; Shaw, Bryan K.; Marwitz, Adam J. V.; Piers, Warren E.; Blackwell, James M.; Parvez, Masood","Photo Lewis acid generators: photorelease of B(C6F5)3 and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18196","18206","10.1039/c5dt03008k","","","0.71073","MoKα","","0.0716","0.0562","","","0.154","0.1806","","","","","","1.204","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036667","28.2437","0.0007","10.4776","0.0003","18.8072","0.0004","90","","93.544","0.0014","90","","5554.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H11 B F15 I -","- C30 H11 B F15 I -","- C240 H88 B8 F120 I8 -","8","1","","Khalimon, Andrey Y.; Shaw, Bryan K.; Marwitz, Adam J. V.; Piers, Warren E.; Blackwell, James M.; Parvez, Masood","Photo Lewis acid generators: photorelease of B(C6F5)3 and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18196","18206","10.1039/c5dt03008k","","","0.71073","MoKα","","0.0568","0.0442","","","0.0891","0.0967","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036668","14.6752","0.0003","20.0841","0.0005","22.7318","0.0016","91.664","0.007","107.958","0.008","106.8","0.007","6049.9","0.6","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H89 B2 F48 Ir4 N14 O -","- C109 H89 B2 F48 Ir4 N14 O -","- C218 H178 B4 F96 Ir8 N28 O2 -","2","1","","Sharninghausen, Liam S.; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David; Campos, Jesús","Gel-assisted crystallization of [Ir4(IMe)7(CO)H10](2+) and [Ir4(IMe)8H9](3+) clusters derived from catalytic glycerol dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18403","18410","10.1039/c5dt03302k","","","0.71075","MoKα","","0.0762","0.0481","","","0.0963","0.107","","","","","","1.038","","","","has coordinates,has disorder","171277","2020-10-21","18:00:00",""
"7036669","11.702","0.0003","36.5532","0.0008","22.0062","0.0015","90","","96.138","0.007","90","","9359.1","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 Ir4 N21 O40 P W12 -","- C40 H64 Ir4 N16 O40 P W12 -","- C160 H256 Ir16 N64 O160 P4 W48 -","4","1","","Sharninghausen, Liam S.; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David; Campos, Jesús","Gel-assisted crystallization of [Ir4(IMe)7(CO)H10](2+) and [Ir4(IMe)8H9](3+) clusters derived from catalytic glycerol dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18403","18410","10.1039/c5dt03302k","","","1.54178","CuKα","","0.1422","0.1075","","","0.3096","0.3353","","","","","","1.139","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036674","23.689","0.005","12.6","0.003","20.254","0.004","90","","105.14","0.03","90","","5836","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 Gd N2 O5 S -","- C26 H11 F12 Gd N2 O5 S -","- C208 H88 F96 Gd8 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0339","0.0289","","","0.0748","0.0805","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036675","23.548","0.005","12.604","0.003","20.197","0.004","90","","104.93","0.03","90","","5792","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 N2 O5 S Tb -","- C26 H11 F12 N2 O5 S Tb -","- C208 H88 F96 N16 O40 S8 Tb8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0373","0.0326","","","0.0738","0.0763","","","","","","1.169","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036676","23.555","0.005","12.633","0.003","20.21","0.004","90","","105.17","0.03","90","","5804","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 Dy F12 N2 O5 S -","- C26 H11 Dy F12 N2 O5 S -","- C208 H88 Dy8 F96 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0433","0.0346","","","0.0743","0.0787","","","","","","1.068","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036677","23.527","0.005","12.638","0.003","20.219","0.004","90","","105.16","0.03","90","","5803","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 Ho N2 O5 S -","- C26 H11 F12 Ho N2 O5 S -","- C208 H88 F96 Ho8 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0352","0.0298","","","0.0722","0.0782","","","","","","1.171","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036678","23.436","0.005","12.644","0.003","20.176","0.004","90","","105.12","0.03","90","","5772","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 Er F12 N2 O5 S -","- C26 H11 Er F12 N2 O5 S -","- C208 H88 Er8 F96 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0309","0.0265","","","0.0661","0.0682","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036679","23.754","0.005","12.591","0.003","20.266","0.004","90","","104.94","0.03","90","","5856","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 Eu F12 N2 O5 S -","- C26 H11 Eu F12 N2 O5 S -","- C208 H88 Eu8 F96 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0333","0.0297","","","0.0719","0.0738","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036680","23.323","0.005","12.666","0.003","20.143","0.004","90","","105.32","0.03","90","","5739","2","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 Lu N2 O5 S -","- C26 H11 F12 Lu N2 O5 S -","- C208 H88 F96 Lu8 N16 O40 S8 -","8","1","","Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong","Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18893","18901","10.1039/c5dt02894a","","","0.71073","MoKα","","0.0337","0.0286","","","0.075","0.0771","","","","","","1.116","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036681","14.044","0.003","20.297","0.004","23.635","0.005","90","","90","","90","","6737","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C43 H61 Cd3 N28 O12 -","- C30 H20 Cd3 N25 O3 -","- C120 H80 Cd12 N100 O12 -","4","0.5","","Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He","Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20361","20366","10.1039/c5dt02987b","","","0.71073","MoKα","","0.1138","0.0818","","","0.2123","0.2257","","","","","","0.959","","","","has coordinates","171242","2020-10-21","18:00:00",""
"7036682","12.6177","0.0019","12.5869","0.0018","28.561","0.004","90","","96.843","0.002","90","","4503.7","1.1","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H74 Cd5 N42 O13 -","- C50 H36 Cd5 N40 O4 -","- C100 H72 Cd10 N80 O8 -","2","0.5","","Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He","Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20361","20366","10.1039/c5dt02987b","","","0.71073","MoKα","","0.1212","0.1205","","","0.3052","0.3058","","","","","","0.87","","","","has coordinates","171242","2020-10-21","18:00:00",""
"7036683","39.073","0.008","19.229","0.004","13.798","0.003","90","","103.6","0.03","90","","10076","4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C115 H132 Cd9 N76 O21 -","- C88 H62 Cd9 N70 O10 -","- C176 H124 Cd18 N140 O20 -","2","0.25","","Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He","Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20361","20366","10.1039/c5dt02987b","","","0.71073","MoKα","","0.0903","0.0592","","","0.1413","0.1531","","","","","","1.02","","","","has coordinates","171242","2020-10-21","18:00:00",""
"7036684","19.552","0.003","21.898","0.004","25.297","0.004","90","","90","","90","","10831","3","273","2","273","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","SCU-3","","","- C42 H24 O19 P2 U2 -","- C42 H24 O19 P2 U2 -","- C168 H96 O76 P8 U8 -","4","0.5","","Wang, Yanlong; Li, Yuxiang; Bai, Zhuanling; Xiao, Chengliang; Liu, Zhiyong; Liu, Wei; Chen, Lanhua; He, Weiwei; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Design and synthesis of a chiral uranium-based microporous metal organic framework with high SHG efficiency and sequestration potential for low-valent actinides.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18810","18814","10.1039/c5dt02337h","","","0.71073","MoKα","","0.0585","0.0471","","","0.126","0.135","","","","","","0.987","","","","has coordinates","171224","2020-10-21","18:00:00",""
"7036685","21.619","0.003","9.0014","0.001","22.283","0.003","90","","117.732","0.006","90","","3838.2","0.9","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Co I2 N5 O5 -","- C10 H28 Co I2 N5 O5 -","- C80 H224 Co8 I16 N40 O40 -","8","2","","Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders","Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18438","18446","10.1039/c5dt02674a","","","0.71073","MoKα","","0.0766","0.055","","","0.1357","0.1443","","","","","","1.085","","","","has coordinates","171282","2020-10-21","18:00:00",""
"7036686","9.6314","0.0006","13.5664","0.0006","14.7998","0.0008","90","","90","","90","","1933.79","0.18","122.4","","122.4","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl2 Co N5 O6 -","- C12 H32 Cl2 Co N5 O6 -","- C48 H128 Cl8 Co4 N20 O24 -","4","1","","Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders","Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18438","18446","10.1039/c5dt02674a","","","0.71073","MoKα","","0.0309","0.0269","","","0.0617","0.0662","","","","","","1.0134","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7036687","8.945","0.0003","12.4236","0.0004","17.413","0.0006","90","","90","","90","","1935.09","0.11","122.4","","122.4","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl2 Co N5 O5 -","- C12 H32 Cl2 Co N5 O5 -","- C48 H128 Cl8 Co4 N20 O20 -","4","1","","Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders","Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18438","18446","10.1039/c5dt02674a","","","0.71073","MoKα","","0.0356","0.0271","","","0.0556","0.0585","","","","","","1.043","","","","has coordinates","171282","2020-10-21","18:00:00",""
"7036688","29.944","0.002","9.6596","0.0007","25.0248","0.0019","90","","125.423","0.002","90","","5898.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","2","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0333","0.0312","","","0.0876","0.0895","","","","","","1.072","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036689","30.086","0.003","9.6786","0.0008","25.227","0.002","90","","125.674","0.003","90","","5967.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","2","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0369","0.0342","","","0.0968","0.0996","","","","","","1.051","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036690","30.4776","0.0018","9.6557","0.0006","25.804","0.002","90","","126.115","0.0019","90","","6134.5","0.7","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0359","0.0341","","","0.0986","0.1003","","","","","","1.08","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036691","30.4776","0.0018","9.6557","0.0006","25.8393","0.0015","90","","126.221","0.0019","90","","6134.5","0.7","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","2","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0551","0.045","","","0.1334","0.1449","","","","","","1.021","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036692","30.5685","0.0016","9.6211","0.0005","25.8714","0.0013","90","","125.886","0.0017","90","","6164.6","0.6","225","2","225","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0359","0.0342","","","0.1013","0.1034","","","","","","1.051","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036693","30.6714","0.0018","9.5911","0.0005","25.97","0.002","90","","125.621","0.0017","90","","6210.2","0.7","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0393","0.038","","","0.1119","0.1134","","","","","","1.021","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036694","30.934","0.004","9.5804","0.0012","26.135","0.003","90","","125.328","0.004","90","","6319.1","1.4","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C184 H184 Cu8 F96 N32 O48 -","8","1","","Fedin, Matvey V.; Veber, Sergey L.; Bagryanskaya, Elena G.; Romanenko, Galina V.; Ovcharenko, Victor I.","Spatial distribution of phases during gradual magnetostructural transitions in copper(ii)-nitroxide based molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18823","18830","10.1039/c5dt03441h","","","1.54178","CuKα","","0.0396","0.0378","","","0.1103","0.1125","","","","","","1.03","","","","has coordinates,has disorder","171226","2020-10-21","18:00:00",""
"7036695","11.961","0.002","14.415","0.003","42.946","0.008","90","","90","","90","","7405","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","H2PIM","","- C44.75 H39.49 Cl0.25 N2 O5.87 S -","- C44.746 H39.492 Cl0.254 N2 O5.873 S -","- C357.968 H315.936 Cl2.032 N16 O46.984 S8 -","8","2","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.0827","0.0721","","","0.1937","0.2","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036696","12.5668","0.0011","34.957","0.003","18.1763","0.0016","90","","90.011","0.001","90","","7984.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","H2F2PIM","","- C42.08 H29 Cl3.19 F2 N2 O5 S -","- C42.075 H29 Cl3.1875 F2 N2 O5 S -","- C336.6 H232 Cl25.5 F16 N16 O40 S8 -","8","2","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.0852","0.0606","","","0.1561","0.1703","","","","","","1.085","","","","has coordinates,has disorder","171197","2020-10-21","18:00:00",""
"7036697","19.2065","0.0012","13.5135","0.0008","27.848","0.0017","90","","99.283","0.001","90","","7133.2","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Fe2(PIM)(Ar4F-PhCO2)2]","","- C82.63 H56 Cl2.44 F4 Fe2 N2 O9 S -","- C82.627 H56 Cl2.444 F4 Fe2 N2 O9 S -","- C330.508 H224 Cl9.776 F16 Fe8 N8 O36 S4 -","4","1","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.0967","0.0759","","","0.2106","0.2224","","","","","","1.154","","","","has coordinates,has disorder","171197","2020-10-21","18:00:00",""
"7036698","29.279","0.003","15.9399","0.0016","34.344","0.004","90","","114.405","0.002","90","","14596","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[Fe2(F2PIM)(ArTolCO2)2]","","- C85.31 H67.17 Cl3.92 F2 Fe2 N2 O9 S -","- C85.313 H67.168 Cl3.916 F2 Fe2 N2 O9 S -","- C682.504 H537.344 Cl31.328 F16 Fe16 N16 O72 S8 -","8","1","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.1001","0.068","","","0.1743","0.2","","","","","","1.039","","","","has coordinates,has disorder","171197","2020-10-21","18:00:00",""
"7036699","14.0897","0.0009","14.7198","0.0009","17.4942","0.0011","100.735","0.001","102.714","0.001","94.7","0.001","3448.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[Fe2(F2PIM)(Ar4F-PhCO2)2]","","- C80 H52 Cl4 F6 Fe2 N2 O9 S -","- C80 H52 Cl4 F6 Fe2 N2 O9 S -","- C160 H104 Cl8 F12 Fe4 N4 O18 S2 -","2","1","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.1137","0.0667","","","0.1789","0.2142","","","","","","1.045","","","","has coordinates,has disorder","171197","2020-10-21","18:00:00",""
"7036700","14.9602","0.0005","15.7483","0.0005","20.3226","0.0006","90","","103.75","0.002","90","","4650.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118.66 H65.32 Cl1.32 N4 O24 -","- C118.66 H65.32 Cl1.32 N4 O24 -","- C237.32 H130.64 Cl2.64 N8 O48 -","2","0.5","","Chen, Chia-Hsiang; Aghabali, Amineh; Metta-Magana, Alejandro J; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","Synthesis and characterization of a trans-1 hexakis-fullerene linker that forms crystalline polymers with silver salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18487","18491","10.1039/c5dt03054d","","","0.71073","MoKα","","0.0903","0.0655","","","0.1922","0.218","","","","","","1.071","","","","has coordinates,has disorder","171288","2020-10-21","18:00:00",""
"7036701","10.1664","0.0004","14.1537","0.0006","20.4581","0.0008","72.474","0.002","81.98","0.0018","78.445","0.002","2740.32","0.19","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H70 Ag2 F12 N6 O24 P2 -","- C122 H70 Ag2 F12 N6 O24 P2 -","- C122 H70 Ag2 F12 N6 O24 P2 -","1","0.5","","Chen, Chia-Hsiang; Aghabali, Amineh; Metta-Magana, Alejandro J; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","Synthesis and characterization of a trans-1 hexakis-fullerene linker that forms crystalline polymers with silver salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18487","18491","10.1039/c5dt03054d","","","1.54178","CuKα","","0.0884","0.0756","","","0.2323","0.2499","","","","","","0.962","","","","has coordinates,has disorder","171288","2020-10-21","18:00:00",""
"7036702","10.091","0.0006","14.7707","0.0009","16.9006","0.0011","105.067","0.003","94.215","0.004","93.227","0.003","2418.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H67 Ag2 F3 N5 O30 P2 -","- C120 H67 Ag2 F3 N5 O30 P2 -","- C120 H67 Ag2 F3 N5 O30 P2 -","1","0.5","","Chen, Chia-Hsiang; Aghabali, Amineh; Metta-Magana, Alejandro J; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","Synthesis and characterization of a trans-1 hexakis-fullerene linker that forms crystalline polymers with silver salts.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18487","18491","10.1039/c5dt03054d","","","1.0333","synchrotron","","0.1396","0.1057","","","0.2214","0.24","","","","","","1.182","","","","has coordinates,has disorder","171288","2020-10-21","18:00:00",""
"7036703","12.635","0.0002","18.473","0.0003","23.941","0.0003","90","","90","","90","","5587.98","0.14","120","1","120","1","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C30 H14 F10 N2 Pt S2 -","- C30 H14 F10 N2 Pt S2 -","- C240 H112 F80 N16 Pt8 S16 -","8","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.034","0.026","","","0.0543","0.0583","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036704","8.2453","0.0002","26.5307","0.0007","16.63","0.0004","90","","94.703","0.002","90","","3625.62","0.16","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H22 F10 N2 Pt -","- C42 H22 F10 N2 Pt -","- C168 H88 F40 N8 Pt4 -","4","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.0551","0.0445","","","0.1169","0.125","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036705","14.9033","0.0005","12.3384","0.0004","15.0986","0.0004","90","","105.414","0.002","90","","2676.51","0.15","173","1","173","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H17 F5 N2 Pt S2 -","- C32 H17 F5 N2 Pt S2 -","- C128 H68 F20 N8 Pt4 S8 -","4","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0551","0.0571","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036706","6.7971","0.0002","10.3253","0.0005","12.4185","0.0006","84.911","0.002","85.894","0.003","88.98","0.003","865.84","0.06","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 F5 N O Pt S2 -","- C17 H12 F5 N O Pt S2 -","- C34 H24 F10 N2 O2 Pt2 S4 -","2","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.0556","0.0547","","","0.1467","0.1501","","","","","","1.197","","","","has coordinates","171230","2020-10-21","18:00:00",""
"7036707","7.5475","0.0002","11.4335","0.0005","11.8516","0.0005","99.861","0.002","98.362","0.002","91.328","0.003","995.69","0.07","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H14 F5 N O Pt S2 -","- C21 H14 F5 N O Pt S2 -","- C42 H28 F10 N2 O2 Pt2 S4 -","2","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.0349","0.0345","","","0.0932","0.0939","","","","","","0.938","","","","has coordinates","171230","2020-10-21","18:00:00",""
"7036708","7.4576","0.0002","19.0464","0.0005","17.9399","0.0006","90","","105.813","0.003","90","","2451.76","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co1.5 Dy O19 -","- C20 H20 Co1.5 Dy O19 -","- C80 H80 Co6 Dy4 O76 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Kang, Xiao-Min; Zhao, Bin","Self-assembly of heterometallic Ln(III)-Co(II) coordination polymers: syntheses, structures, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18856","18863","10.1039/c5dt02280k","","","0.71073","MoKα","","0.0463","0.033","","","0.0672","0.0702","","","","","","0.95","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036709","7.4945","0.0002","19.1024","0.0003","17.9883","0.0004","90","","105.917","0.002","90","","2476.52","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co1.5 Eu O19 -","- C20 H20 Co1.5 Eu O19 -","- C80 H80 Co6 Eu4 O76 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Kang, Xiao-Min; Zhao, Bin","Self-assembly of heterometallic Ln(III)-Co(II) coordination polymers: syntheses, structures, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18856","18863","10.1039/c5dt02280k","","","0.71073","MoKα","","0.0454","0.0331","","","0.0679","0.071","","","","","","0.952","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036710","7.4737","0.0013","19.133","0.003","18","0.002","90","","105.684","0.012","90","","2478.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co1.5 Gd O19 -","- C20 H20 Co1.5 Gd O19 -","- C80 H80 Co6 Gd4 O76 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Kang, Xiao-Min; Zhao, Bin","Self-assembly of heterometallic Ln(III)-Co(II) coordination polymers: syntheses, structures, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18856","18863","10.1039/c5dt02280k","","","0.71073","MoKα","","0.0534","0.0388","","","0.0886","0.0933","","","","","","0.96","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036711","7.5364","0.0015","19.168","0.004","17.972","0.005","90","","105.76","0.03","90","","2498.6","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co1.5 O19 Pr -","- C20 H20 Co1.5 O19 Pr -","- C80 H80 Co6 O76 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Kang, Xiao-Min; Zhao, Bin","Self-assembly of heterometallic Ln(III)-Co(II) coordination polymers: syntheses, structures, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18856","18863","10.1039/c5dt02280k","","","0.71073","MoKα","","0.0373","0.0314","","","0.0681","0.0705","","","","","","1.116","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036712","7.4467","0.0006","19.0044","0.0016","17.9394","0.0018","90","","105.838","0.008","90","","2442.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co1.5 O19 Tb -","- C20 H20 Co1.5 O19 Tb -","- C80 H80 Co6 O76 Tb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Kang, Xiao-Min; Zhao, Bin","Self-assembly of heterometallic Ln(III)-Co(II) coordination polymers: syntheses, structures, and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18856","18863","10.1039/c5dt02280k","","","0.71073","MoKα","","0.0572","0.0346","","","0.0595","0.0634","","","","","","0.914","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036713","8.8438","0.0007","12.7821","0.0009","12.2085","0.0008","90","","100.063","0.007","90","","1358.85","0.17","77","2","77","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H10 Cd3 N6 O14 -","- C15 H10 Cd3 N6 O14 -","- C30 H20 Cd6 N12 O28 -","2","1","","Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng","Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18882","18892","10.1039/c5dt02374b","","","0.71073","MoKα","","0.0382","0.0357","","","0.0926","0.0959","","","","","","1.002","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7036714","25.7987","0.0012","23.5734","0.0012","9.7527","0.0005","90","","90","","90","","5931.2","0.5","77","2","77","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C42 H52 Co4 N6 O39 -","- C42 H28 Co4 N6 O32.5 -","- C168 H112 Co16 N24 O130 -","4","0.5","","Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng","Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18882","18892","10.1039/c5dt02374b","","","0.71073","MoKα","","0.0674","0.0523","","","0.1278","0.1386","","","","","","1.005","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7036715","9.0812","0.0004","22.5814","0.0013","13.334","0.0007","90","","95.368","0.002","90","","2722.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Co F9 N4 O12 S3 -","- C13 H26 Co F9 N4 O12 S3 -","- C52 H104 Co4 F36 N16 O48 S12 -","4","1","","Vázquez, Marta; Font-Bardia, Mercè; Martínez, Manuel","Kinetico-mechanistic studies of substitution reactions on cross-bridged cyclen Co(III) complexes with nucleosides and nucleotides.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18643","18655","10.1039/c5dt01816a","","","0.71073","MoKα","","0.0747","0.0727","","","0.1616","0.1631","","","","","","1.068","","","","has coordinates,has disorder","171274","2020-10-21","18:00:00",""
"7036721","7.7636","0.0004","15.04","0.0008","18.9806","0.0009","90","","107.292","0.004","90","","2116.09","0.19","275","1","275","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl3 Fe3 N10 S2 -","- C37 H28 Cl3 Fe3 N10 S2 -","- C74 H56 Cl6 Fe6 N20 S4 -","2","0.5","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco Javier; Piñeiro-López, Lucía; Muñoz, M Carmen; Romero, Tomás; Molina, Pedro; Real, José A","Spin crossover in iron(ii) complexes with ferrocene-bearing triazole-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18911","18918","10.1039/c5dt03084f","","","0.71073","MoKα","","0.0987","0.0658","","","0.2","0.2283","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036722","7.6611","0.0004","14.6644","0.0005","19.5707","0.0008","90","","106.768","0.004","90","","2105.19","0.16","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl3 Fe3 N10 Se2 -","- C37 H28 Cl3.06 Fe3 N10 Se2 -","- C74 H56 Cl6.12 Fe6 N20 Se4 -","2","0.5","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco Javier; Piñeiro-López, Lucía; Muñoz, M Carmen; Romero, Tomás; Molina, Pedro; Real, José A","Spin crossover in iron(ii) complexes with ferrocene-bearing triazole-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18911","18918","10.1039/c5dt03084f","","","0.71073","MoKα","","0.1431","0.0893","","","0.2162","0.2508","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036723","7.815","0.0003","15.0288","0.0005","19.6192","0.0009","90","","107.614","0.004","90","","2196.24","0.16","275","1","275","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl3 Fe3 N10 Se2 -","- C37 H28 Cl3 Fe3 N10 Se2 -","- C74 H56 Cl6 Fe6 N20 Se4 -","2","0.5","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco Javier; Piñeiro-López, Lucía; Muñoz, M Carmen; Romero, Tomás; Molina, Pedro; Real, José A","Spin crossover in iron(ii) complexes with ferrocene-bearing triazole-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18911","18918","10.1039/c5dt03084f","","","0.71073","MoKα","","0.2059","0.0864","","","0.212","0.2877","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036724","20.1905","0.0014","6.83","0.002","9.5946","0.0007","90","","112.981","0.004","90","","1218.1","0.4","293","","293","","","","340","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.051","0.0407","","0.0639","0.0631","0.0639","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036725","20.1241","0.0014","6.8","0.002","9.5772","0.0007","90","","113.069","0.004","90","","1205.8","0.4","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0495","0.0434","","0.1035","0.0926","0.1035","","","","","","1.019","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036726","20.0669","0.0014","6.771","0.002","9.5645","0.0007","90","","113.161","0.004","90","","1194.8","0.4","293","","293","","","","800","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0499","0.0358","","0.0609","0.0597","0.0609","","","","","","0.9857","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036727","20.0069","0.0012","6.7361","0.0019","9.5511","0.0006","90","","113.257","0.004","90","","1182.6","0.4","293","","293","","","","1090","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0582","0.046","","0.0719","0.071","0.0719","","","","","","0.9863","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036728","19.9615","0.0016","6.715","0.003","9.5408","0.0008","90","","113.331","0.004","90","","1174.3","0.5","293","","293","","","","1320","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0587","0.0428","","0.0707","0.0696","0.0707","","","","","","0.9972","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036729","19.9008","0.0013","6.689","0.002","9.5275","0.0007","90","","113.453","0.003","90","","1163.5","0.4","293","","293","","","","1570","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0426","0.0345","","0.0599","0.0594","0.0599","","","","","","0.9866","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036730","19.8482","0.0014","6.664","0.002","9.5173","0.0007","90","","113.535","0.004","90","","1154.1","0.4","293","","293","","","","1800","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0569","0.0332","","0.0611","0.0586","0.0611","","","","","","0.9978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036731","19.7638","0.0018","6.621","0.003","9.5007","0.0009","90","","113.677","0.005","90","","1138.6","0.5","293","","293","","","","2290","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0452","0.0329","","0.0579","0.0567","0.0579","","","","","","1.0006","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036732","19.6986","0.0013","6.57","0.0018","9.4982","0.0006","90","","113.778","0.004","90","","1124.9","0.3","293","","293","","","","2650","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0554","0.036","","0.0633","0.062","0.0633","","","","","","0.9994","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036733","19.6368","0.0015","6.512","0.002","9.5039","0.0007","90","","113.862","0.004","90","","1111.4","0.4","293","","293","","","","3050","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.041","0.0341","","0.0604","0.0597","0.0604","","","","","","0.9978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036734","19.5753","0.0019","6.476","0.003","9.5153","0.001","90","","114.033","0.006","90","","1101.7","0.5","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H28 Mn Na5 O24 -","- C8 H28 Mn Na5 O24 -","- C16 H56 Mn2 Na10 O48 -","2","0.5","","Craig, Gavin A.; Woodall, Christopher H.; McKellar, Scott C.; Probert, Michael R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Murrie, Mark","A high-pressure crystallographic and magnetic study of Na5[Mn(l-tart)2]·12H2O (l-tart = l-tartrate).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18324","18328","10.1039/c5dt03320a","","","0.4859","synchrotron","","0.0774","0.0491","","0.0784","0.0722","0.0784","","","","","","0.9952","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036735","8.8367","0.0002","9.9431","0.0002","17.1843","0.0004","90","","90","","90","","1509.88","0.06","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 Se2 -","- C10 H8 Fe2 O6 Se2 -","- C40 H32 Fe8 O24 Se8 -","4","0.5","","Trautwein, Ralf; Almazahreh, Laith R.; Görls, Helmar; Weigand, Wolfgang","Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se).","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18780","18794","10.1039/c5dt01387a","","","0.71073","MoKα","","0.0261","0.0249","","","0.0614","0.0622","","","","","","1.085","","","","has coordinates","171233","2020-10-21","18:00:00",""
"7036736","9.1208","0.0004","10.1728","0.0005","51.123","0.003","90","","90","","90","","4743.4","0.4","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H10 Fe2 O6 Se2 -","- C11 H10 Fe2 O6 Se2 -","- C132 H120 Fe24 O72 Se24 -","12","1.5","","Trautwein, Ralf; Almazahreh, Laith R.; Görls, Helmar; Weigand, Wolfgang","Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se).","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18780","18794","10.1039/c5dt01387a","","","0.71073","MoKα","","0.0444","0.0365","","","0.0698","0.0735","","","","","","1.227","","","","has coordinates","171233","2020-10-21","18:00:00",""
"7036737","12.2901","0.0003","12.4486","0.0003","15.1716","0.0004","76.296","0.002","76.185","0.002","84.494","0.002","2187.95","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H45 Bi F4 O7 -","- C51 H45 Bi F4 O7 -","- C102 H90 Bi2 F8 O14 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0355","0.0265","","","0.0503","0.0539","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036738","15.636","0.003","15.607","0.003","30.709","0.006","90","","90","","90","","7494","3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H45 Bi O11 -","- C39 H45 Bi O11 -","- C312 H360 Bi8 O88 -","8","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.0353","0.0331","","","0.0846","0.0858","","","","","","1.15","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036739","9.1878","0.0004","18.715","0.001","19.9856","0.001","90","","90","","90","","3436.5","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 Bi O6 -","- C39 H39 Bi O6 -","- C156 H156 Bi4 O24 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0482","0.0373","","","0.0639","0.0685","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036740","17.8158","0.0013","14.7358","0.0006","15.073","0.001","90","","125.227","0.01","90","","3232.5","0.5","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H29 Bi N2 O8 -","- C35 H29 Bi N2 O8 -","- C140 H116 Bi4 N8 O32 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0356","0.0281","","","0.0417","0.0444","","","","","","0.91","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036741","9.0562","0.0004","11.5012","0.0005","16.2432","0.0007","107.263","0.004","90.519","0.004","99.342","0.004","1591.26","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Bi Cl2 O6 -","- C35 H29 Bi Cl2 O6 -","- C70 H58 Bi2 Cl4 O12 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0625","0.04","","","0.0672","0.0769","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036742","9.048","0.0018","11.217","0.002","20.912","0.004","101.82","0.03","90.76","0.03","90.17","0.03","2077.2","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H43 Bi Cl2 N2 O4 -","- C49 H43 Bi Cl2 N2 O4 -","- C98 H86 Bi2 Cl4 N4 O8 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","Synchrotron","","0.0443","0.0398","","","0.1003","0.1027","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036743","10.96","0.002","15.975","0.003","17.886","0.004","90","","91.79","0.03","90","","3130.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Bi O6 -","- C37 H35 Bi O6 -","- C148 H140 Bi4 O24 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.0433","0.0353","","","0.0891","0.0943","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036744","10.949","0.002","15.98","0.003","18.978","0.004","90","","93.65","0.03","90","","3313.8","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Bi O6 -","- C39 H39 Bi O6 -","- C156 H156 Bi4 O24 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.71073","synchrotron","","0.0349","0.0316","","","0.0861","0.0882","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036745","10.5176","0.0003","27.1933","0.0008","14.2016","0.0005","90","","102.235","0.002","90","","3969.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 Bi N2 O9 -","- C39 H37 Bi N2 O9 -","- C156 H148 Bi4 N8 O36 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.71065","MoKα","","0.0606","0.0418","","","0.0961","0.1029","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036746","9.103","0.0018","10.781","0.002","18.399","0.004","98.62","0.03","96.46","0.03","113.48","0.03","1607.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Bi Cl2 O6 -","- C35 H29 Bi Cl2 O6 -","- C70 H58 Bi2 Cl4 O12 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.0367","0.035","","","0.0905","0.092","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036747","20.797","0.004","15.314","0.003","26.182","0.005","90","","90","","90","","8339","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H43 Bi Cl2 N2 O4 -","- C49 H43 Bi Cl2 N2 O4 -","- C392 H344 Bi8 Cl16 N16 O32 -","8","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.047","0.0402","","","0.1085","0.1131","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036748","19.1566","0.0009","16.0193","0.0006","16.0089","0.0007","90","","110.204","0.005","90","","4610.5","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H66 N2 O4 Zr -","- C51 H66 N2 O4 Zr -","- C204 H264 N8 O16 Zr4 -","4","0.5","","Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Zirconium complexes stabilized by amine-bridged bis(phenolato) ligands as precatalysts for intermolecular hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20352","20360","10.1039/c5dt02643a","","","0.71073","MoKα","","0.047","0.0395","","","0.1094","0.1157","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036749","8.61","0.005","27.63","0.014","8.444","0.005","90","","91.66","0.03","90","","2008","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","1","","Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally","Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20843","20849","10.1039/c5dt03795f","","","0.4133","synchrotron","","0.0599","0.0576","","","0.1212","0.1219","","","","","","1.06","","","","has coordinates","171147","2020-10-21","18:00:00",""
"7036750","8.556","0.005","26.63","0.014","8.13","0.005","90","","90.8","0.03","90","","1852.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","1","","Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally","Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20843","20849","10.1039/c5dt03795f","","","0.4133","synchrotron","","0.1043","0.1031","","","0.2863","0.287","","","","","","1.378","","","","has coordinates","171147","2020-10-21","18:00:00",""
"7036751","8.792","0.002","8.792","","27.916","0.009","90","","90","","90","","2157.9","0.9","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","","","Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally","Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20843","20849","10.1039/c5dt03795f","","","0.4133","synchrotron","","0.0607","0.061","","","0.1456","0.1459","","","","","","1.14","","","","has coordinates","171147","2020-10-21","18:00:00",""
"7036757","20.594","0.0016","20.594","0.0016","6.5304","0.0004","90","","90","","120","","2398.6","0.3","180","2","180","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C24 H49 Co4 N9 O27 P3 S0.5 -","- C24 H19 Co4 N9 O13 P3 -","- C48 H38 Co8 N18 O26 P6 -","2","0.166667","","Begum, S.; Horike, S.; Kitagawa, S.; Krautscheid, H.","Water stable triazolyl phosphonate MOFs: steep water uptake and facile regeneration.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18727","18730","10.1039/c5dt02651b","","","0.71073","MoKα","","0.0672","0.054","","","0.1347","0.1416","","","","","","0.978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036758","9.169","0.004","10.916","0.006","15.349","0.006","90","","93.93","0.02","90","","1532.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane catena-tetra-μ-bromodicuprate(I)","","- C8 H18 Br4 Cu2 N2 -","- C8 H18 Br4 Cu2 N2 -","- C32 H72 Br16 Cu8 N8 -","4","1","","Maderlehner, Sebastian; Leitl, Markus J.; Yersin, Hartmut; Pfitzner, Arno","Halocuprate(i) zigzag chain structures with N-methylated DABCO cations - bright metal-centered luminescence and thermally activated color shifts.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19305","19313","10.1039/c5dt02709h","","","0.71073","MoKα","","0.0457","0.0326","","","0.0665","0.0698","","","","","","1.04","","","","has coordinates","171214","2020-10-21","18:00:00",""
"7036759","15.8121","0.0002","9.413","0.0001","22.9117","0.0003","90","","90.011","0.001","90","","3410.16","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane catena-tetra-μ-iododicuprate(I)","","- C32 H72 Cu8 I16 N8 -","- C32 H72 Cu8 I16 N8 -","- C64 H144 Cu16 I32 N16 -","2","1","","Maderlehner, Sebastian; Leitl, Markus J.; Yersin, Hartmut; Pfitzner, Arno","Halocuprate(i) zigzag chain structures with N-methylated DABCO cations - bright metal-centered luminescence and thermally activated color shifts.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19305","19313","10.1039/c5dt02709h","","","0.71073","MoKα","","0.034","0.0337","","","0.0756","0.0759","","","","","","1.038","","","","has coordinates","171214","2020-10-21","18:00:00",""
"7036762","10.132","0.005","13.834","0.009","16.46","0.011","91.96","0.02","91.53","0.03","110.682","0.017","2155","2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 N2 Si2 -","- C20 H30 N2 Si2 -","- C80 H120 N8 Si8 -","4","2","","Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki","2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16256","16265","10.1039/c5dt02038g","","","0.7107","MoKα","","0.1171","0.0769","","","0.1468","0.1651","","","","","","1.112","","","","has coordinates","160939","2020-10-21","18:00:00",""
"7036763","7.29","0.005","16.889","0.012","15.688","0.012","90","","90","","90","","1932","2","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H24 F2 N2 Si2 -","- C18 H24 F2 N2 Si2 -","- C72 H96 F8 N8 Si8 -","4","0.25","","Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki","2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16256","16265","10.1039/c5dt02038g","","","0.7107","MoKα","","0.0578","0.0473","","","0.1207","0.1286","","","","","","1.117","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7036764","7.992","0.005","12.925","0.008","7.595","0.005","90","","92.626","0.007","90","","783.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F6 N2 Si2 -","- C14 H12 F6 N2 Si2 -","- C28 H24 F12 N4 Si4 -","2","0.5","","Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki","2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16256","16265","10.1039/c5dt02038g","","","0.71073","MoKα","","0.0868","0.0711","","","0.1633","0.1721","","","","","","1.085","","","","has coordinates","160939","2020-10-21","18:00:00",""
"7036765","8.9666","0.0005","10.7053","0.0007","11.2276","0.0007","93.383","0.002","106.763","0.002","99.798","0.002","1010.19","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 F2 N2 Si2 -","- C18 H24 F2 N2 Si2 -","- C36 H48 F4 N4 Si4 -","2","1","","Kano, Naokazu; Yamamura, Masaki; Kawashima, Takayuki","2,2'-Disilylazobenzenes featuring double intramolecular nitrogensilicon coordination: a photoisomerizable fluorophore.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16256","16265","10.1039/c5dt02038g","","","0.71073","MoKα","","0.0346","0.0321","","","0.0846","0.088","","","","","","1.041","","","","has coordinates","160939","2020-10-21","18:00:00",""
"7036766","10.4446","0.0018","27.372","0.004","14.877","0.002","90","","106.291","0.007","90","","4082.4","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O27 Zn5 -","- C36 H36 O27 Zn5 -","- C144 H144 O108 Zn20 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.71073","MoKα","","0.098","0.0497","","","0.1082","0.1284","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036767","7.708","0.003","8.505","0.004","9.689","0.004","112.204","0.016","90.766","0.011","102.26","0.011","571.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 O8 Zn -","- C9 H12 O8 Zn -","- C18 H24 O16 Zn2 -","2","1","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.71075","MoKα","","0.076","0.0451","","","0.08","0.0921","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036768","7.775","0.008","8.015","0.008","16.657","0.017","90","","92.564","0.013","90","","1037","1.8","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C20 H16 O12 Zn2 -","- C20 H16 O12 Zn2 -","- C40 H32 O24 Zn4 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.71073","MoKα","","0.031","0.0236","","","0.0565","0.0597","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036769","10.7402","0.0015","28.559","0.004","42.642","0.006","90","","90","","90","","13080","3","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C49.5 H51 O37 Zn6 -","- C49.5 H28 O36.98 Zn6 -","- C396 H224 O295.84 Zn48 -","8","1","","McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.","Coordination polymers of Zn(II) and 5-methoxy isophthalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17686","17695","10.1039/c5dt02924d","","","0.7749","synchrotron","","0.0881","0.0769","","","0.1975","0.2056","","","","","","1.12","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036771","7.1133","0.0005","3.6883","0.001","9.4096","0.0014","90","","90","","90","","246.87","0.08","293","","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B2 K O6 Sb -","- B2 K O6 Sb -","- B4 K2 O12 Sb2 -","2","0.5","","Zhao, Dan; Zhang, Rong-Hua; Li, Fei-Fei; Yang, Juan; Liu, Bing-Guo; Fan, Yun-Chang","(3 + 1)-Dimensional commensurately modulated structure and photoluminescence properties of diborate KSbOB2O5.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6277","6287","10.1039/c5dt00267b","","x-ray","0.71073","MoKα","","0.0483","0.0358","","","0.0489","0.0532","","","","1.18","1.18","1.14","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036772","24.0852","0.0003","24.0852","0.0003","21.6371","0.0005","90","","90","","90","","12551.6","0.4","120","0.1","120","0.1","","","","","","","","7","P 4/m","-P 4","83","","","","- H105 K46.75 Li26.25 O424 P16 Sn7 W96 -","- K46.776 O424.04 P16 Sn7.024 W96 -","- K46.776 O424.04 P16 Sn7.024 W96 -","1","0.125","","Izarova, N. V.; Klaß, L; de Oliveira, P.; Mbomekalle, I.-M.; Peters, V.; Haarmann, F.; Kögerler, P","Tin(ii)-functionalization of the archetypal {P8W48} polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19200","19206","10.1039/c5dt03164h","","","0.71073","MoKα","","0.1979","0.0813","","","0.1576","0.2217","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036773","26.9749","0.0003","26.9749","0.0003","21.0538","0.0003","90","","90","","90","","15319.7","0.3","120","0.1","120","0.1","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- H126 K11 Li23 O250 P8 Sn6 W48 -","- K11.04 O196.24 P8 Sn5.976 W48 -","- K22.08 O392.48 P16 Sn11.952 W96 -","2","0.0625","","Izarova, N. V.; Klaß, L; de Oliveira, P.; Mbomekalle, I.-M.; Peters, V.; Haarmann, F.; Kögerler, P","Tin(ii)-functionalization of the archetypal {P8W48} polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19200","19206","10.1039/c5dt03164h","","","0.71073","MoKα","","0.1141","0.0785","","","0.1905","0.2117","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036774","25.4151","0.0003","25.4151","0.0003","21.7748","0.0004","90","","90","","90","","14064.9","0.3","120","0.1","120","0.1","","","","","","","","8","I 4/m","-I 4","87","","","","- Cl8 H100 K14.5 Li17.5 O234 P8 Sn8 W48 -","- Cl8 K14.5 O219.08 P8 Sn8 W48 -","- Cl16 K29 O438.16 P16 Sn16 W96 -","2","0.125","","Izarova, N. V.; Klaß, L; de Oliveira, P.; Mbomekalle, I.-M.; Peters, V.; Haarmann, F.; Kögerler, P","Tin(ii)-functionalization of the archetypal {P8W48} polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19200","19206","10.1039/c5dt03164h","","","0.71073","MoKα","","0.0709","0.0583","","","0.1563","0.1691","","","","","","1.092","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036775","9.782","0.0012","15.0655","0.0019","20.388","0.003","90","","99.581","0.002","90","","2962.7","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H28 F6 O0.5 P2 -","- C33.5 H28 F6 O0.5 P2 -","- C134 H112 F24 O2 P8 -","4","1","","Ahmadi, Zohrab; Yunker, Lars P. E.; Oliver, Allen G.; McIndoe, J. Scott","Mechanistic features of the copper-free Sonogashira reaction from ESI-MS.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20367","20375","10.1039/c5dt02889b","","","0.71073","MoKα","","0.045","0.0352","","","0.0853","0.0914","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036782","10.729","0.003","10.019","0.003","24.414","0.007","90","","96.518","0.005","90","","2607.4","1.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl F6 N3 P Ru S2 -","- C22 H21 Cl F6 N3 P Ru S2 -","- C88 H84 Cl4 F24 N12 P4 Ru4 S8 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.1219","0.0995","","","0.1646","0.1736","","","","","","1.241","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036783","10.7525","0.0019","10.1007","0.0018","24.622","0.004","90","","97.499","0.003","90","","2651.3","0.8","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl F6 N3 P Ru S Se -","- C22 H21 Cl F6 N3 P Ru S Se -","- C88 H84 Cl4 F24 N12 P4 Ru4 S4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.0872","0.0687","","","0.1498","0.1572","","","","","","1.18","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036784","9.3249","0.0008","10.7293","0.0009","24.776","0.002","90","","90","","90","","2478.8","0.4","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl F6 N3 P Ru S Se -","- C22 H21 Cl F6 N3 P Ru S Se -","- C88 H84 Cl4 F24 N12 P4 Ru4 S4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.0208","0.0202","","","0.0524","0.0527","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036785","9.591","0.005","10.922","0.006","25.18","0.014","90","","90","","90","","2638","2","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl F6 N3 P Ru Se2 -","- C22 H21 Cl F6 N3 P Ru Se2 -","- C88 H84 Cl4 F24 N12 P4 Ru4 Se8 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.0844","0.0569","","","0.1293","0.1432","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036786","12.4021","0.0015","25.291","0.003","16.5039","0.0015","90","","121.51","0.006","90","","4413.3","0.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H88 B20 Cu4 N16 Na2 O75 V12 -","- C16 H88 B20 Cu4 N16 Na2 O75 V12 -","- C32 H176 B40 Cu8 N32 Na4 O150 V24 -","2","0.5","","Feng, Yuquan; Ding, Chenghua; Fan, Huitao; Zhong, Zhiguo; Qiu, Dongfang; Shi, Hengzhen","Employing a new 12-connected topological open-framework copper borovanadate as an effective heterogeneous catalyst for oxidation of benzyl-alkanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18731","18736","10.1039/c5dt03425f","","","0.71073","MoKα","","0.0426","0.0381","","","0.1038","0.1063","","","","","","1.037","","","","has coordinates","171223","2020-10-21","18:00:00",""
"7036787","9.8817","0.0003","12.7702","0.0006","13.4397","0.0005","107.655","0.004","95.924","0.003","92.5","0.003","1602.43","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","6.Cl4","","- C26 H40 Cl4 N8 O3 -","- C26 H40 Cl4 N8 O3 -","- C52 H80 Cl8 N16 O6 -","2","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","1.54184","CuKα","","0.0494","0.0451","","","0.1281","0.1321","","","","","","1.098","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036788","8.0075","0.0003","12.8704","0.0005","13.4782","0.0005","102.922","0.003","100.733","0.003","98.285","0.003","1304.94","0.09","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","18","","- C24 H28 Cl N6 O3 Re -","- C24 H28 Cl N6 O3 Re -","- C48 H56 Cl2 N12 O6 Re2 -","2","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0224","0.0192","","","0.0408","0.0422","","","","","","1.045","","","","has coordinates,has disorder","171207","2020-10-21","18:00:00",""
"7036789","9.1406","0.0003","20.5194","0.0006","13.4977","0.0004","90","","92.194","0.003","90","","2529.77","0.13","173.02","","173.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O7 Re2 -","- C22 H25 N5 O7 Re2 -","- C88 H100 N20 O28 Re8 -","4","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0325","0.0267","","","0.057","0.0592","","","","","","1.097","","","","has coordinates,has disorder","171207","2020-10-21","18:00:00",""
"7036790","10.5678","0.0005","18.0774","0.0009","10.1355","0.0005","90","","106.809","0.005","90","","1853.54","0.16","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Br0.27 Cl2.73 N5 O2 -","- C14 H24 Br0.2715 Cl2.7285 N5 O2 -","- C56 H96 Br1.086 Cl10.914 N20 O8 -","4","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0365","0.0289","","","0.0739","0.0779","","","","","","1.084","","","","has coordinates,has disorder","171207","2020-10-21","18:00:00",""
"7036791","9.4195","0.0003","13.0035","0.0003","16.2478","0.0006","96.224","0.003","93.276","0.003","100.399","0.002","1939.91","0.11","172.9","","172.9","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl2 N8 O8 Re2 -","- C34 H36 Cl2 N8 O8 Re2 -","- C68 H72 Cl4 N16 O16 Re4 -","2","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0403","0.0284","","","0.0591","0.0648","","","","","","1.035","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036792","7.676","0.0003","17.0407","0.0007","11.3204","0.0005","90","","91.879","0.004","90","","1479.96","0.11","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N4 O3 Re -","- C12 H12 Cl N4 O3 Re -","- C48 H48 Cl4 N16 O12 Re4 -","4","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.024","0.0196","","","0.0383","0.0399","","","","","","1.025","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036793","15.0212","0.0004","12.3025","0.0004","12.4828","0.0003","90","","90","","90","","2306.8","0.11","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl4 N4 O3 Re -","- C19 H17 Cl4 N4 O3 Re -","- C76 H68 Cl16 N16 O12 Re4 -","4","0.5","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0268","0.0236","","","0.0555","0.058","","","","","","1.044","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036794","9.7542","0.0004","18.0646","0.0008","13.71","0.0006","90","","96.253","0.004","90","","2401.41","0.18","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F6 N5 O5 P Re -","- C19 H25 F6 N5 O5 P Re -","- C76 H100 F24 N20 O20 P4 Re4 -","4","1","","Chan, Chung Ying; Barnard, Peter J.","Rhenium complexes of bidentate, bis-bidentate and tridentate N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19126","19140","10.1039/c5dt03295d","","","0.71073","MoKα","","0.0356","0.0281","","","0.061","0.0646","","","","","","1.09","","","","has coordinates","171207","2020-10-21","18:00:00",""
"7036795","13.6824","0.0004","7.1042","0.0002","9.6579","0.0003","90","","101.2","0.0013","90","","920.89","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Terbium Hydrogen-polyphosphate","","- H O12 P4 Tb -","- H O12 P4 Tb -","- H4 O48 P16 Tb4 -","4","1","","Förg, Katharina; Höppe, Henning A","Synthesis, crystal structure, optical and thermal properties of lanthanide hydrogen-polyphosphates Ln[H(PO3)4] (Ln = Tb, Dy, Ho).","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19163","19174","10.1039/c5dt02648b","","","0.71073","MoKα","","0.0277","0.0221","","","0.0611","0.0623","","","","","","1.126","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036796","13.6334","0.0005","7.0924","0.0003","9.5907","0.0004","90","","101.055","0.001","90","","910.15","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Holmium Hydrogen-polyphosphate","","- H Ho O12 P4 -","- H Ho O12 P4 -","- H4 Ho4 O48 P16 -","4","1","","Förg, Katharina; Höppe, Henning A","Synthesis, crystal structure, optical and thermal properties of lanthanide hydrogen-polyphosphates Ln[H(PO3)4] (Ln = Tb, Dy, Ho).","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19163","19174","10.1039/c5dt02648b","","","0.71073","MoKα","","0.0291","0.0228","","","0.0576","0.0602","","","","","","1.03","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036797","14.3553","0.0002","11.8026","0.0002","17.6616","0.0003","90","","90.071","0.001","90","","2992.4","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Fe O6 -","- C37 H31 Fe O6 -","- C148 H124 Fe4 O24 -","4","1","","Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita","Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19063","19067","10.1039/c5dt03071d","","","0.71073","MoKα","","0.0383","0.0335","","","0.0843","0.0881","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036798","9.4831","0.0007","23.5286","0.0019","19.299","0.0016","90","","103.518","0.004","90","","4186.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Fe N2 O6 -","- C48 H54 Fe N2 O6 -","- C192 H216 Fe4 N8 O24 -","4","1","","Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita","Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19063","19067","10.1039/c5dt03071d","","","0.71073","MoKα","","0.0709","0.0641","","","0.1792","0.187","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036799","14.85","0.0008","15.3813","0.0008","17.4682","0.001","90","","101.57","0.003","90","","3908.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Fe N2 O5 -","- C50 H40 Fe N2 O5 -","- C200 H160 Fe4 N8 O20 -","4","1","","Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita","Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19063","19067","10.1039/c5dt03071d","","","0.71073","MoKα","","0.0465","0.0336","","","0.0788","0.0866","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036800","12.736","0.0004","17.9148","0.0005","15.25","0.0004","90","","95.19","0.002","90","","3465.22","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Fe N2 O5 -","- C41 H38 Fe N2 O5 -","- C164 H152 Fe4 N8 O20 -","4","1","","Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita","Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19063","19067","10.1039/c5dt03071d","","","0.71073","MoKα","","0.0921","0.0472","","","0.1064","0.1309","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036801","8.3374","0.0002","10.1477","0.0003","15.9325","0.0004","75.869","0.002","77.444","0.002","76.216","0.002","1251.27","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Fe N2 O3 Si2 -","- C22 H34 Fe N2 O3 Si2 -","- C44 H68 Fe2 N4 O6 Si4 -","2","1","","Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita","Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19063","19067","10.1039/c5dt03071d","","","0.71073","MoKα","","0.0717","0.0399","","","0.0849","0.0987","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036804","8.5779","0.0007","12.0788","0.001","12.8219","0.0011","79.362","0.004","78.253","0.004","79.424","0.004","1263.52","0.18","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl2 N4 O V -","- C27 H32 Cl2 N4 O V -","- C54 H64 Cl4 N8 O2 V2 -","2","1","","Huang, Tao; Wu, Xinyuan; Song, Xiao; Xu, Hao; Smirnova, Tatyana I.; Weare, Walter W.; Sommer, Roger D.","Ferromagnetic coupling in d(1)-d(3) linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18937","18944","10.1039/c5dt02719e","","","0.71073","MoKα","","0.0355","0.033","","","0.0959","0.0981","","","","","","1.057","","","","has coordinates,has disorder","171227","2020-10-21","18:00:00",""
"7036805","18.4365","0.0008","22.6229","0.001","24.1293","0.001","90","","108.861","0.002","90","","9523.6","0.7","110.1","","110.1","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","Cr(TPP)(TiOTMTAA)(VOOMTAA)SbF6","","- C92 H80 Cr F6 N12 O2 Sb Ti V -","- C92 H80 Cr F6 N12 O2 Sb Ti V -","- C368 H320 Cr4 F24 N48 O8 Sb4 Ti4 V4 -","4","1","","Huang, Tao; Wu, Xinyuan; Song, Xiao; Xu, Hao; Smirnova, Tatyana I.; Weare, Walter W.; Sommer, Roger D.","Ferromagnetic coupling in d(1)-d(3) linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18937","18944","10.1039/c5dt02719e","","","0.71073","MoKα","","0.1012","0.0774","","","0.1933","0.2122","","","","","","1.15","","","","has coordinates,has disorder","171227","2020-10-21","18:00:00",""
"7036806","13.182","0.0005","13.6961","0.0006","27.0875","0.0011","101.953","0.002","95.065","0.002","108.123","0.002","4485.3","0.3","110.1","","110.1","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H66 Cl13 Cr F12 N8 O V -","- C80 H66 Cl13 Cr F12 N8 O V -","- C160 H132 Cl26 Cr2 F24 N16 O2 V2 -","2","1","","Huang, Tao; Wu, Xinyuan; Song, Xiao; Xu, Hao; Smirnova, Tatyana I.; Weare, Walter W.; Sommer, Roger D.","Ferromagnetic coupling in d(1)-d(3) linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18937","18944","10.1039/c5dt02719e","","","0.71073","MoKα","","0.084","0.0556","","","0.1421","0.1655","","","","","","1.044","","","","has coordinates,has disorder","171227","2020-10-21","18:00:00",""
"7036807","19.3129","0.0007","22.2548","0.0007","24.0941","0.0009","90","","107.631","0.002","90","","9869.3","0.6","100.07","","100.07","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C100 H96 Cl8 Cr F6 N12 O2 Sb V2 -","- C100 H95.9998 Cl7.9999 Cr F6 N12 O2 Sb V2 -","- C400 H383.999 Cl31.9996 Cr4 F24 N48 O8 Sb4 V8 -","4","1","","Huang, Tao; Wu, Xinyuan; Song, Xiao; Xu, Hao; Smirnova, Tatyana I.; Weare, Walter W.; Sommer, Roger D.","Ferromagnetic coupling in d(1)-d(3) linear oxido-bridged heterometallic complexes: ground-state models of metal-to-metal charge transfer excited states.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18937","18944","10.1039/c5dt02719e","","","0.71073","MoKα","","0.1166","0.0826","","","0.1924","0.2278","","","","","","1.081","","","","has coordinates,has disorder","171227","2020-10-21","18:00:00",""
"7036808","6.6111","0.0017","10.992","0.0013","20.658","0.002","90","","90","","90","","1501.2","0.4","291","2","291","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C14 H14 Cu F4 N4 O5 -","- C14 H14 Cu F4 N4 O5 -","- C56 H56 Cu4 F16 N16 O20 -","4","0.25","","Liu, Qi; Liu, Xiuxiu; Shi, Changdong; Zhang, Yanpeng; Feng, Xuejun; Cheng, Mei-Ling; Su, Seng; Gu, Jiande","A copper-based layered coordination polymer: synthesis, magnetic properties and electrochemical performance in supercapacitors.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19175","19184","10.1039/c5dt02918j","","","0.71073","MoKα","","0.0867","0.0561","","","0.1013","0.1067","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036809","40.368","0.002","40.368","0.002","11.9229","0.0007","90","","90","","90","","19429.3","1.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H104 Cl Dy5 N8 O33.5 -","- C74 H104 Cl Dy5 N8 O33.5 -","- C592 H832 Cl8 Dy40 N64 O268 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71073","MoKα","","0.0671","0.0501","","","0.1065","0.1123","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036810","40.479","0.005","40.479","0.005","11.943","0.005","90","","90","","90","","19569","9","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H103 Cl N8 O34.5 Tb5 -","- C74 H103 Cl N8 O34.5 Tb5 -","- C592 H824 Cl8 N64 O276 Tb40 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71069","MoKα","","0.0828","0.0565","","","0.1359","0.1532","","","","","","1.028","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036811","40.446","0.005","40.446","0.005","11.94","0.005","90","","90","","90","","19532","9","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C74 H104 Cl Ho5 N8 O31.5 -","- C74 H104 Cl Ho5 N8 O31.5 -","- C592 H832 Cl8 Ho40 N64 O252 -","8","1","","Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli","Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19282","19293","10.1039/c5dt03060a","","","0.71069","MoKα","","0.1009","0.0676","","","0.1536","0.1799","","","","","","1.027","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036812","5.136","0.0003","8.5816","0.0005","8.6869","0.0005","76.136","0.004","87.027","0.004","83.209","0.004","369","0.04","180","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co N O3 P -","- C6 H6 Co N O3 P -","- C12 H12 Co2 N2 O6 P2 -","2","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0364","0.0303","","","0.0737","0.0761","","","","","","1.002","","","","has coordinates","171219","2020-10-21","18:00:00",""
"7036813","8.6107","0.0006","9.9794","0.0007","18.6737","0.0012","90","","90","","90","","1604.62","0.19","180","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N O4 P -","- C6 H8 Cu N O4 P -","- C48 H64 Cu8 N8 O32 P8 -","8","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0344","0.0268","","","0.0673","0.0708","","","","","","1.007","","","","has coordinates","171219","2020-10-21","18:00:00",""
"7036814","9.495","0.003","9.667","0.002","11.668","0.004","89.51","0.03","68.43","0.04","65.88","0.03","896.3","0.6","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate","","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","1","0.5","","Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek","Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18563","18575","10.1039/c5dt03249k","","","0.71073","MoKα","","0.054","0.0341","","","0.0791","0.0841","","","","","","0.99","","","","has coordinates,has disorder","171266","2020-10-21","18:00:00",""
"7036815","9.454","0.002","9.637","0.002","11.621","0.004","89.74","0.03","68.55","0.04","66.06","0.03","887.7","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate","","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","1","0.5","","Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek","Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18563","18575","10.1039/c5dt03249k","","","0.71073","MoKα","","0.0477","0.0323","","","0.0803","0.0851","","","","","","1.009","","","","has coordinates,has disorder","171266","2020-10-21","18:00:00",""
"7036816","9.403","0.003","9.602","0.002","11.546","0.004","90.08","0.03","68.46","0.04","66.12","0.03","872.7","0.6","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate","","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","1","0.5","","Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek","Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18563","18575","10.1039/c5dt03249k","","","0.71073","MoKα","","0.0447","0.0313","","","0.0763","0.0801","","","","","","1.022","","","","has coordinates,has disorder","171266","2020-10-21","18:00:00",""
"7036817","9.341","0.003","9.555","0.002","11.409","0.004","90.68","0.03","68.74","0.04","66.37","0.03","854.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(μ~2~-1,6-di(tetrazol-2-yl)hexane)-bis(propionitrile)] -iron(II) diperchlorate","","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","- C22 H38 Cl2 Fe N18 O8 -","1","0.5","","Książek, Maria; Kusz, Joachim; Białońska, Agata; Bronisz, Robert; Weselski, Marek","Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18563","18575","10.1039/c5dt03249k","","","0.71073","MoKα","","0.0382","0.0298","","","0.078","0.0804","","","","","","1.083","","","","has coordinates,has disorder","171266","2020-10-21","18:00:00",""
"7036818","22.471","0.004","8.7703","0.0017","19.775","0.003","90","","90","","90","","3897.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H38 N10 O10 Zn2 -","- C36 H28 N10 O10 Zn2 -","- C144 H112 N40 O40 Zn8 -","4","0.5","","Wan, Fang; Qiu, Li-Xia; Zhou, Liang-Liang; Sun, Yan-Qiong; You, Yi","A fluorescent, photochromic and thermochromic trifunctional material based on a layered metal-viologen complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18320","18323","10.1039/c5dt03405a","","","0.71073","MoKα","","0.087","0.0687","","","0.2216","0.2441","","","","","","1.057","","","","has coordinates","171273","2020-10-21","18:00:00",""
"7036827","21.172","0.001","24.383","0.001","31.63","0.001","90.138","0.001","95.802","0.002","93.545","0.001","16213.2","1.1","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C189 H294 Ag42 N6 Nb6 O83 Si2 W18 -","- C189 H279 Ag42 N6 Nb6 O83 Si2 W18 -","- C378 H558 Ag84 N12 Nb12 O166 Si4 W36 -","2","1","","Tamari, Sho; Ono, Kosuke; Hashimoto, Masato; Ozeki, Tomoji","Control over the preference for binding sites of polyoxometalates to silver ethynide clusters by surface charge modification.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19056","19058","10.1039/c5dt02972d","","","0.689","synchrotron","","0.1114","0.0823","","","0.2272","0.2425","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036832","18.862","0.005","8.859","0.003","22.798","0.006","90","","111.291","0.003","90","","3549.5","1.8","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H80 N12 O17 S4 Zn5 -","- C54 H74 N12 O14 S4 Zn5 -","- C108 H148 N24 O28 S8 Zn10 -","2","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Majumder, Ishani; Massera, Chiara; Escudero, Daniel; Ghosh, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based ""end-off"" compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20032","20044","10.1039/c5dt02768c","","","0.71069","MoKα","","0.1148","0.0864","","","0.2886","0.3027","","","","","","1.008","","","","has coordinates,has disorder","171111","2020-10-21","18:00:00",""
"7036833","37.918","0.004","13.384","0.001","30.092","0.003","90","","95.882","0.002","90","","15191","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H86 N12 O14 S4 Zn5 -","- C60 H86 N12 O14 S4 Zn5 -","- C480 H688 N96 O112 S32 Zn40 -","8","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Majumder, Ishani; Massera, Chiara; Escudero, Daniel; Ghosh, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based ""end-off"" compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20032","20044","10.1039/c5dt02768c","","","0.71069","MoKα","","0.1079","0.0603","","","0.1546","0.1833","","","","","","1.013","","","","has coordinates,has disorder","171111","2020-10-21","18:00:00",""
"7036834","12.77","0.001","17.504","0.002","17.798","0.002","64.249","0.005","72.721","0.001","78.743","0.002","3411.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H68 Cl2 N12 O14 S4 Zn5 -","- C52 H68 Cl2 N12 O14 S4 Zn5 -","- C104 H136 Cl4 N24 O28 S8 Zn10 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Majumder, Ishani; Massera, Chiara; Escudero, Daniel; Ghosh, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based ""end-off"" compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20032","20044","10.1039/c5dt02768c","","","0.71069","MoKα","","0.1128","0.0575","","","0.1399","0.1609","","","","","","1.016","","","","has coordinates","171111","2020-10-21","18:00:00",""
"7036835","8.597","0.0003","18.9423","0.0008","11.595","0.0005","90","","107.2","0.001","90","","1803.77","0.13","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Cu(PPh3)tpym]PF6","","- C35 H29 Cl3 Cu F6 N3 P2 -","- C35 H29 Cl3 Cu F6 N3 P2 -","- C70 H58 Cl6 Cu2 F12 N6 P4 -","2","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0349","0.029","","","0.0622","0.0643","","","","","","1.03","","","","has coordinates,has disorder","171116","2020-10-21","18:00:00",""
"7036836","12.8635","0.0006","12.8635","","67.361","0.003","90","","90","","120","","9652.9","0.6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","[Cu(PPh3)tpym]BF4","","- C34.5 H28.5 B Cl1.5 Cu F4 N3 P -","- C34.5 H28.5 B Cl1.5 Cu F3.9999 N3 P -","- C414 H342 B12 Cl18 Cu12 F47.9988 N36 P12 -","12","0.333333","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0699","0.0383","","","0.0842","0.0958","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036837","19.4837","0.0007","11.1499","0.0004","24.6713","0.0009","90","","90","","90","","5359.6","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[Cu(PPh3)tpym]BPh4","","- C60 H50 B Cl6 Cu N3 P -","- C60 H50 B Cl6 Cu N3 P -","- C240 H200 B4 Cl24 Cu4 N12 P4 -","4","1","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg","A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20045","20055","10.1039/c5dt03065j","","","0.71069","MoKα","","0.0454","0.0294","","","0.0569","0.0662","","","","","","1.069","","","","has coordinates","171116","2020-10-21","18:00:00",""
"7036838","38.3513","0.0017","38.3513","","38.3513","","90","","90","","90","","56408","3","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C58 H94 N7 O43 Sm3 -","- C50 H36 N4 O23 Sm3 -","- C1200 H864 N96 O552 Sm72 -","24","0.5","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0756","0.0577","","","0.1479","0.1699","","","","","","1.079","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036839","18.6342","0.0014","18.6342","","37.709","0.003","90","","90","","120","","11339.6","1.2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29.89 H41 Cu2 N3.22 O12.22 -","- C21 H9 Cu2 N O10 -","- C189 H81 Cu18 N9 O90 -","9","0.25","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0673","0.0485","","","0.1336","0.1409","","","","","","1.295","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036840","27.4541","0.0015","27.4541","","9.7375","0.0005","90","","90","","90","","7339.4","0.6","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C32 H33.75 N3.75 O10.75 Zn2 -","- C25 H18 N2 O9 Zn2 -","- C200 H144 N16 O72 Zn16 -","8","","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0775","0.0586","","","0.1397","0.1499","","","","","","1.056","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7036841","15.52","0.003","21.29","0.004","8.3672","0.0017","90","","109.75","0.03","90","","2602.1","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Eu N9 O11 -","- C20 H22 Eu N9 O11 -","- C80 H88 Eu4 N36 O44 -","4","0.5","","Dasari, Srikanth; Patra, Ashis K.","Luminescent europium and terbium complexes of dipyridoquinoxaline and dipyridophenazine ligands as photosensitizing antennae: structures and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19844","19855","10.1039/c5dt02852c","","","0.71073","MoKα","","0.0464","0.0353","","","0.0707","0.0889","","","","","","1.151","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036842","26.496","0.004","15.353","0.004","17.486","0.004","90","","99.482","0.006","90","","7016","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Eu N19 O11 -","- C80 H60 Eu N19 O11 -","- C320 H240 Eu4 N76 O44 -","4","0.5","","Dasari, Srikanth; Patra, Ashis K.","Luminescent europium and terbium complexes of dipyridoquinoxaline and dipyridophenazine ligands as photosensitizing antennae: structures and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19844","19855","10.1039/c5dt02852c","","","0.71073","MoKα","","0.0759","0.052","","","0.1216","0.1445","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036843","38.244","0.008","7.7857","0.0016","17.69","0.004","90","","104.67","0.03","90","","5096","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl3 N6 O2 Tb -","- C20 H22 Cl3 N6 O2 Tb -","- C160 H176 Cl24 N48 O16 Tb8 -","8","1","","Dasari, Srikanth; Patra, Ashis K.","Luminescent europium and terbium complexes of dipyridoquinoxaline and dipyridophenazine ligands as photosensitizing antennae: structures and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19844","19855","10.1039/c5dt02852c","","","0.71073","MoKα","","0.0249","0.0238","","","0.066","0.0667","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036844","7.909","0.002","17.6","0.005","20.746","0.006","66.126","0.005","84.219","0.006","80.941","0.006","2605.6","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl3 N6 O2 Tb -","- C24 H24 Cl3 N6 O2 Tb -","- C96 H96 Cl12 N24 O8 Tb4 -","4","2","","Dasari, Srikanth; Patra, Ashis K.","Luminescent europium and terbium complexes of dipyridoquinoxaline and dipyridophenazine ligands as photosensitizing antennae: structures and biological perspectives.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19844","19855","10.1039/c5dt02852c","","","0.71073","MoKα","","0.1121","0.0574","","","0.1063","0.1409","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036845","5.54179","0.00025","8.8674","0.0004","14.27","0.001","97.146","0.004","96.0166","0.0035","103.956","0.004","668.61","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C6 Gd N2 O10 P2 -","- C6 Gd N2 O10 P2 -","- C12 Gd2 N4 O20 P4 -","2","1","","Scafuri, Antonio; Vivani, Riccardo; Carniato, Fabio; Tei, Lorenzo; Botta, Mauro; Taddei, Marco; Costantino, Ferdinando","A structural and (1)H NMR relaxometric study on novel layered carboxyalkylaminophosphonate nanocrystals with Gd(iii) ions located in the framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19072","19075","10.1039/c5dt02808f","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.06647","","1.22","","","","","","","has coordinates","171213","2020-10-21","18:00:00",""
"7036846","18.783","0.004","7.0572","0.0006","10.3356","0.0013","90","","90.381","0.012","90","","1370","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 Gd N O9 P2 -","- C8 Gd N O9 P2 -","- C32 Gd4 N4 O36 P8 -","4","1","","Scafuri, Antonio; Vivani, Riccardo; Carniato, Fabio; Tei, Lorenzo; Botta, Mauro; Taddei, Marco; Costantino, Ferdinando","A structural and (1)H NMR relaxometric study on novel layered carboxyalkylaminophosphonate nanocrystals with Gd(iii) ions located in the framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19072","19075","10.1039/c5dt02808f","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.13246","","2.29","","","","","","","has coordinates","171213","2020-10-21","18:00:00",""
"7036847","21.1082","0.0007","10.3582","0.0003","22.8139","0.0007","90","","115.866","0.004","90","","4488.4","0.3","119.99","0.1","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44.8 Cl2 Mn2 N8 O12.44 -","- C42 H44.78 Cl2 Mn2 N8 O12.442 -","- C168 H179.12 Cl8 Mn8 N32 O49.768 -","4","0.5","","Comar, Priyanka; Rajeshkumar, Thayalan; Nichol, Gary S.; Pitak, Mateusz B.; Coles, Simon J.; Rajaraman, Gopalan; Brechin, Euan K.","Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19805","19811","10.1039/c5dt03615a","","","1.5418","CuKα","","0.0399","0.0369","","","0.0913","0.0928","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036848","13.1019","0.0007","14.5141","0.0007","14.8351","0.001","105.116","0.007","110.267","0.008","108.665","0.008","2277.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Cl2 Mn2 N8 O14 -","- C42 H46 Cl2 Mn2 N8 O14 -","- C84 H92 Cl4 Mn4 N16 O28 -","2","1","","Comar, Priyanka; Rajeshkumar, Thayalan; Nichol, Gary S.; Pitak, Mateusz B.; Coles, Simon J.; Rajaraman, Gopalan; Brechin, Euan K.","Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19805","19811","10.1039/c5dt03615a","","","0.71075","MoKα","","0.1417","0.0949","","","0.2502","0.2895","","","","","","1.013","","","","has coordinates,has disorder","171133","2020-10-21","18:00:00",""
"7036849","25.902","0.0012","10.4638","0.0004","21.9889","0.0011","90","","103.471","0.005","90","","5795.8","0.5","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 Cl2 Mn2 N8 O16 -","- C42 H44 Cl2 Mn2 N8 O12 -","- C168 H176 Cl8 Mn8 N32 O48 -","4","0.5","","Comar, Priyanka; Rajeshkumar, Thayalan; Nichol, Gary S.; Pitak, Mateusz B.; Coles, Simon J.; Rajaraman, Gopalan; Brechin, Euan K.","Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19805","19811","10.1039/c5dt03615a","","x-ray","0.71073","MoKα","","0.0592","0.0492","","","0.1306","0.1359","","","","","","1.084","","","","has coordinates","171133","2020-10-21","18:00:00",""
"7036850","14.2526","0.0007","22.2504","0.0012","15.7127","0.0011","90","","116.936","0.008","90","","4442.3","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl2 Mn2 N8 O14 -","- C38 H36 Cl2 Mn2 N8 O12 -","- C152 H144 Cl8 Mn8 N32 O48 -","4","1","","Comar, Priyanka; Rajeshkumar, Thayalan; Nichol, Gary S.; Pitak, Mateusz B.; Coles, Simon J.; Rajaraman, Gopalan; Brechin, Euan K.","Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19805","19811","10.1039/c5dt03615a","","","1.54184","CuKα","","0.1036","0.0692","","","0.1739","0.2073","","","","","","1.033","","","","has coordinates,has disorder","171133","2020-10-21","18:00:00",""
"7036851","8.4822","0.0004","13.25","0.0004","13.607","0.0005","110.595","0.003","103.803","0.004","92.048","0.003","1378.11","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C56.44 H56.87 Cl2 Mn2 N8 O13.61 -","- C56.44 H56.88 Cl2 Mn2 N8 O13.61 -","- C56.44 H56.88 Cl2 Mn2 N8 O13.61 -","1","0.5","","Comar, Priyanka; Rajeshkumar, Thayalan; Nichol, Gary S.; Pitak, Mateusz B.; Coles, Simon J.; Rajaraman, Gopalan; Brechin, Euan K.","Switching the orientation of Jahn-Teller axes in oxime-based Mn(III) dimers and its effect upon magnetic exchange: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19805","19811","10.1039/c5dt03615a","","","1.54184","CuKα","","0.0632","0.0572","","","0.1539","0.159","","","","","","1.051","","","","has coordinates","171133","2020-10-21","18:00:00",""
"7036852","9.6432","0.0006","15.5442","0.0013","19.6209","0.0015","90","","108.042","0.005","90","","2796.5","0.4","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-methyl-6-(pyridin-2-yl)-1,4-bis(pyridin-2-ylmethyl)- 1,4-diazepane]nickel(II) perchlorate‒methanol(1/1)","","- C24 H31 Cl2 N5 Ni O9 -","- C24 H31 Cl2 N5 Ni O9 -","- C96 H124 Cl8 N20 Ni4 O36 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","0.71073","MoKα","","0.1188","0.0659","","","0.1051","0.1309","","","","","","1.038","","","","has coordinates,has disorder","171203","2020-10-21","18:00:00",""
"7036853","12.0919","0.0002","33.6364","0.0005","14.6502","0.0002","90","","90.496","0.001","90","","5958.42","0.16","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","acetonitrile[6-methyl-6-(pyridin-2-yl)-1,4-bis(pyridin-2-ylmethyl)- 1,4-diazepane]iron(II) tetraphenylborate","","- C73 H70 B2 Fe N6 -","- C73 H70 B2 Fe N6 -","- C292 H280 B8 Fe4 N24 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","1.54184","CuKα","","0.0523","0.0384","","","0.0845","0.0927","","","","","","1.035","","","","has coordinates","171203","2020-10-21","18:00:00",""
"7036854","11.8155","0.0003","17.6019","0.0005","14.8106","0.0004","90","","96.124","0.003","90","","3062.66","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(trifluoromethanesulfonato)[6-methyl-6-(pyridin-2-yl)- 1,4-bis(pyridin-2-ylmethyl)-1,4-diazepane]iron(II) trifluoromethanesulfonate","","- C25 H27 F6 Fe N5 O6 S2 -","- C25 H27 F6 Fe N5 O6 S2 -","- C100 H108 F24 Fe4 N20 O24 S8 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","0.71073","MoKα","","0.0617","0.046","","","0.0925","0.098","","","","","","1.058","","","","has coordinates,has disorder","171203","2020-10-21","18:00:00",""
"7036855","13.4336","0.0002","20.5689","0.0002","13.4353","0.0002","90","","115.08","0.002","90","","3362.35","0.1","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(trifluoromethanesulfonato)[N^1^,N^3^,2-trimethyl-2-(pyridin-2-yl)- N^1^,N^3^-bis(pyridin-2-ylmethyl)propane-1,3-diamine]iron(II) trifluoromethanesulfonate‒dichloromethane(1/1)","","- C26 H31 Cl2 F6 Fe N5 O6 S2 -","- C26 H31 Cl2 F6 Fe N5 O6 S2 -","- C104 H124 Cl8 F24 Fe4 N20 O24 S8 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0885","0.0899","","","","","","1.052","","","","has coordinates,has disorder","171203","2020-10-21","18:00:00",""
"7036856","8.2754","0.0004","12.0926","0.0005","13.8127","0.0006","99.414","0.003","90.005","0.004","90.983","0.003","1363.43","0.11","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","chlorido[N^1^,N^3^,2-trimethyl-2-(pyridin-2-yl)-N^1^,N^3^-bis(pyridin- 2-ylmethyl)propane-1,3-diamine]iron(II) hexafluorophosphate‒diethyl ether(4/1)","","- C24 H31.5 Cl F6 Fe N5 O0.25 P -","- C23 H29 Cl F6 Fe N5 P -","- C46 H58 Cl2 F12 Fe2 N10 P2 -","2","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","0.71073","MoKα","","0.0352","0.0306","","","0.079","0.0814","","","","","","0.925","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036857","16.5101","0.0006","13.528","0.0004","12.2737","0.0004","90","","90","","90","","2741.31","0.16","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","aqua[N^1^,N^3^,2-trimethyl-2-(pyridin-2-yl)-N^1^,N^3^-bis(pyridin- 2-ylmethyl)propane-1,3-diamine]nickel(II) perchlorate","","- C23 H31 Cl2 N5 Ni O9 -","- C23 H31 Cl2 N5 Ni O9 -","- C92 H124 Cl8 N20 Ni4 O36 -","4","1","","Kroll, Nicole; Theilacker, Kolja; Schoknecht, Marc; Baabe, Dirk; Wiedemann, Dennis; Kaupp, Martin; Grohmann, Andreas; Hörner, Gerald","Controlled ligand distortion and its consequences for structure, symmetry, conformation and spin-state preferences of iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19232","19247","10.1039/c5dt02502h","","x-ray","0.71073","MoKα","","0.0356","0.0333","","","0.0742","0.0754","","","","","","1.057","","","","has coordinates,has disorder","171203","2020-10-21","18:00:00",""
"7036858","11.7601","0.0008","10.7213","0.0009","29.0076","0.0015","90","","98.48","0.007","90","","3617.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C192 H160 N16 -","8","2","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.1924","0.1124","","","0.2378","0.2334","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036859","16.5703","0.0005","16.4159","0.0007","39.7779","0.0019","90","","90","","90","","10820.2","0.8","150","1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H35 Li N2 O2 -","- C32 H35 Li N2 O2 -","- C512 H560 Li16 N32 O32 -","16","2","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.5418","CuKα","","0.0683","0.0526","","","0.1374","0.1524","","","","","","1.019","","","","has coordinates","171110","2020-10-21","18:00:00",""
"7036860","9.3375","0.0005","17.8616","0.0009","15.0867","0.001","90","","111.528","0.005","90","","2340.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N4 Na2 O2 -","- C56 H54 N4 Na2 O2 -","- C112 H108 N8 Na4 O4 -","2","0.5","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.0597","0.0524","","","0.1416","0.1492","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036861","16.7937","0.0012","10.7713","0.0006","24.1946","0.0017","90","","90.543","0.008","90","","4376.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H92 K4 N8 O2 -","- C104 H92 K4 N8 O2 -","- C208 H184 K8 N16 O4 -","2","0.5","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.1102","0.0796","","","0.2067","0.2461","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036862","9.53","0.003","17.85","0.006","20.35","0.007","109.89","0.004","96.251","0.002","93.303","0.003","3219.3","1.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Mg N2 O2 -","- C39 H42 Mg N2 O2 -","- C156 H168 Mg4 N8 O8 -","4","2","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","0.71075","MoKα","","0.0988","0.0651","","","0.1577","0.1893","","","","","","1.051","","","","has coordinates","171110","2020-10-21","18:00:00",""
"7036863","9.9208","0.0012","9.9609","0.0015","12.4778","0.0012","108.752","0.011","92.798","0.009","106.729","0.012","1104.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Mg N4 O2 -","- C56 H54 Mg N4 O2 -","- C56 H54 Mg N4 O2 -","1","0.5","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.0539","0.0417","","","0.1042","0.1143","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036864","11.185","0.018","13.42","0.02","18.43","0.03","90","","104.24","0.02","90","","2681","7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H70 Ca N4 O4 -","- C64 H70 Ca N4 O4 -","- C128 H140 Ca2 N8 O8 -","2","0.5","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","0.71075","MoKα","","0.1713","0.0766","","","0.1573","0.2128","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036865","11.5131","0.0013","13.2509","0.0013","18.1457","0.0015","75.334","0.008","78.968","0.009","71.14","0.01","2516.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N4 O3 Sr -","- C60 H62 N4 O3 Sr -","- C120 H124 N8 O6 Sr2 -","2","1","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.0975","0.0925","","","0.2361","0.248","","","","","","1.094","","","","has coordinates","171110","2020-10-21","18:00:00",""
"7036866","10.7818","0.0011","14.4888","0.0015","21.2076","0.0019","109.626","0.009","93.344","0.008","106.825","0.009","2942.1","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H77 Ba N4 O5 -","- C68 H77 Ba N4 O5 -","- C136 H154 Ba2 N8 O10 -","2","1","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.54184","CuKα","","0.0874","0.0667","","","0.167","0.2011","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036867","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Otręba, Marta; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Solvothermal synthesis of enneanuclear [CuLn] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19880","19885","10.1039/c5dt03542b","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171115","2020-10-21","18:00:00",""
"7036868","5.3419","0.0005","5.3419","0.0005","14.0603","0.0002","90","","90","","120","","347.47","0.05","300","","300","","","","","","","","","4","R 3 :H","R 3","146","Mn2ScSbO6-Ni3TeO6","Mn2ScSbO6","","- Mn2 O6 Sb Sc -","- Mn2 O6 Sb Sc -","- Mn6 O18 Sb3 Sc3 -","3","0.333333","","Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R","High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20441","20448","10.1039/c5dt03445k","powder diffraction","x-ray","1.54056","Cu_Kα","","","","","","","","","6.1775","1.574","","","","","","","has coordinates","282881","2023-04-27","09:12:51",""
"7036869","5.2909","0.0003","5.4698","0.0003","7.7349","0.0005","90","","90.165","0.006","90","","223.85","0.02","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mn2ScSbO6-double perovskite","Mn2ScSbO6","","- Mn2 O6 Sb Sc -","- Mn1.909 O6 Sb Sc1.091 -","- Mn3.818 O12 Sb2 Sc2.182 -","2","0.5","","Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R","High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20441","20448","10.1039/c5dt03445k","powder diffraction","neutron","1.5936","neutron","","","","","","","","","6.0412","1.15","","","","","","","has coordinates","282881","2023-04-27","09:12:51",""
"7036870","5.3419","0.0005","5.3419","0.0005","14.0603","0.0002","90","","90","","120","","347.47","0.05","300","","300","","","","","","","","","4","R 3 :H","R 3","146","Mn2ScSbO6-Ni3TeO6","Mn2ScSbO6","","- Mn2 O6 Sb Sc -","- Mn2 O6 Sb Sc -","- Mn6 O18 Sb3 Sc3 -","3","0.333333","","Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R","High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20441","20448","10.1039/c5dt03445k","powder diffraction","neutron","1.5936","neutron","","","","","","","","","6.1775","1.574","","","","","","","has coordinates","282881","2023-04-27","09:12:51",""
"7036871","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Roy, Sudipta; Mondal, Kartik Chandra; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Monomeric siliconthiodichloride trapped by a Lewis base.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19942","19947","10.1039/c5dt03742e","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171125","2020-10-21","18:00:00",""
"7036872","13.1323","0.0005","14.6364","0.0006","13.8925","0.0006","90","","95.4568","0.0011","90","","2658.17","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Thienyl[2,3-b]thiophenene-2,5-di[(ethoxycarbene)pentacarbonyltungsten(0)","","- C22 H12 O12 S2 W2 -","- C22 H12 O12 S2 W2 -","- C88 H48 O48 S8 W8 -","4","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0407","0.0252","","","0.0503","0.0556","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036873","13.0556","0.0008","14.5145","0.001","13.8325","0.0009","90","","95.395","0.0018","90","","2609.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Thienyl[2,3-b]thiophenene-2,5-di[(ethoxycarbene)pentacarbonylchromium(0)], Thienyl[2,3-b]thiophenene-2-[(ethoxycarbene)pentacarbonylchromium(0)]-5-[(ethoxycarbene)pentacarbonyltungsten(0)] co-crystal","","- C22 H12 Cr1.38 O12 S2 W0.62 -","- C22 H12 Cr1.3826 O12 S2 W0.6174 -","- C88 H48 Cr5.5304 O48 S8 W2.4696 -","4","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0344","0.0271","","","0.0626","0.0659","","","","","","1.152","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036874","26.7813","0.0012","26.7813","0.0012","17.3239","0.0008","90","","90","","90","","12425.4","1","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","2-(Ethoxy-(pentacarbonyl-tungsten)-carbene)-4,6-diethoxy-5,5,5,5-tetracarbonyl-5-tungsta-cyclopenta[b]thieno[3,2-d]thiophene hemidichloromethane","","- C24.5 H17 Cl O12 S2 W2 -","- C24.5 H16 Cl O12 S2 W2 -","- C392 H256 Cl16 O192 S32 W32 -","16","","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0302","0.02","","","0.0416","0.0446","","","","","","1.091","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036875","7.2013","0.0003","34.2589","0.0015","12.5924","0.0005","90","","101.995","0.0012","90","","3038.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2,2,5,5,5,5-Octacarbonyl-1,3,4,6-tetraethoxy-2,5-ditungsta-dicyclopenta[b,e]thieno[3,2-d]thiophene","","- C26 H20 O12 S2 W2 -","- C26 H20 O12 S2 W2 -","- C104 H80 O48 S8 W8 -","4","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0329","0.0252","","","0.0522","0.0538","","","","","","1.157","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7036876","7.3338","0.0004","21.4603","0.0012","10.6447","0.0006","90","","108.017","0.001","90","","1593.17","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5,5,5-Tetracarbonyl-4,6-diethoxy-5-tungsta(0)cyclopentatrieno[b]thiophene","","- C14 H12 O6 S W -","- C14 H12 O6 S W -","- C56 H48 O24 S4 W4 -","4","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0259","0.024","","","0.0624","0.0637","","","","","","1.138","","","","has coordinates,has disorder","171206","2020-10-21","18:00:00",""
"7036877","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Han, Xiaohui; Wang, Zhenqing; Xu, Jin; Liu, Dan; Wang, Cheng","A crown-like heterometallic unit as the building block for a 3D In-Ge-S framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19768","19771","10.1039/c5dt03556b","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171129","2020-10-21","18:00:00",""
"7036878","17.1475","0.0009","5.7126","0.0004","9.8841","0.0006","90","","125.136","0.0031","90","","791.79","0.09","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca Ir2 O9 Sr3 -","- Ca Ir2 O9 Sr3 -","- Ca4 Ir8 O36 Sr12 -","4","1","","Wallace, David C.; McQueen, Tyrel M.","New honeycomb iridium(v) oxides: NaIrO3 and Sr3CaIr2O9.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20344","20351","10.1039/c5dt03188e","powder diffraction","neutron","2.0775","neutron","","","","","","","","0.07991","","1.77","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036879","9.8725","0.001","28.22","0.003","19.994","0.002","90","","100.558","0.001","90","","5476.1","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Al Cl2 F36 O8 Ru2 -","- C41 H32 Al Cl2 F36 O8 Ru2 -","- C164 H128 Al4 Cl8 F144 O32 Ru8 -","4","1","","Li, Shuyu; Wang, Xingyong; Zhang, Zaichao; Zhao, Yue; Wang, Xinping","Isolation and structural characterization of a mainly ligand-based dimetallic radical.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19754","19757","10.1039/c5dt03578c","","","0.71073","MoKα","","0.0396","0.0312","","","0.0985","0.1157","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036880","14.53","0.001","16.2986","0.0011","22.1066","0.0015","90","","93.218","0.001","90","","5227","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Al F36 O8 Ru2 -","- C40 H29 Al F36 O8 Ru2 -","- C160 H116 Al4 F144 O32 Ru8 -","4","1","","Li, Shuyu; Wang, Xingyong; Zhang, Zaichao; Zhao, Yue; Wang, Xinping","Isolation and structural characterization of a mainly ligand-based dimetallic radical.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19754","19757","10.1039/c5dt03578c","","","0.71073","MoKα","","0.0366","0.0294","","","0.0745","0.0785","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036881","15.723","0.003","23.832","0.005","31.971","0.006","90","","96.44","0.03","90","","11904","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Mn4 N6 O50 Ti18 -","- C76 H124 Mn4 N6 O50 Ti18 -","- C304 H496 Mn16 N24 O200 Ti72 -","4","1","","Li, Ning; Matthews, Peter D.; Leung, Jane J.; King, Timothy C.; Wood, Paul T.; Luo, He-Kuan; Wright, Dominic S.","Synthesis, structure and properties of the manganese-doped polyoxotitanate cage [Ti18MnO30(OEt)20(MnPhen)3] (Phen = 1,10-phenanthroline).","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19090","19096","10.1039/c5dt03617h","","","0.71073","MoKα","","0.1522","0.0987","","","0.2706","0.3139","","","","","","1.025","","","","has coordinates","171211","2020-10-21","18:00:00",""
"7036882","9.2941","0.0005","11.2624","0.0007","14.7425","0.0009","83.4485","0.001","86.2809","0.0009","68.4462","0.0009","1425.43","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2,6-{Ph2PNMe}2(NC5H3)]CuBr","","- C31 H29 Br Cu N3 P2 -","- C31 H29 Br Cu N3 P2 -","- C62 H58 Br2 Cu2 N6 P4 -","2","1","","Rao, Gyandshwar Kumar; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin","Coinage metal complexes supported by a ""PN(3)P"" scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19153","19162","10.1039/c5dt03515e","","","0.71073","MoKα","","0.0291","0.0242","","","0.0626","0.0646","","","","","","1.038","","","","has coordinates","171201","2020-10-21","18:00:00",""
"7036883","9.5696","0.0002","13.5271","0.0003","14.0741","0.0003","110.729","0.001","105.716","0.001","95.9328","0.001","1599.57","0.06","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","2,6-{Ph2PNMe}2(NC5H3)]CuOTf","","- C32 H29 Cu F3 N3 O3 P2 S -","- C32 H29 Cu F3 N3 O3 P2 S -","- C64 H58 Cu2 F6 N6 O6 P4 S2 -","2","1","","Rao, Gyandshwar Kumar; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin","Coinage metal complexes supported by a ""PN(3)P"" scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19153","19162","10.1039/c5dt03515e","","","0.71073","MoKα","","0.0335","0.0296","","","0.0803","0.0833","","","","","","1.05","","","","has coordinates,has disorder","171201","2020-10-21","18:00:00",""
"7036884","9.3561","0.0003","10.9493","0.0004","16.0927","0.0006","100.411","0.0016","95.3133","0.0016","96.2905","0.0017","1600.99","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","2,6-{Ph2PNMe}2(NC5H3)]AgOTf","","- C32 H29 Ag F3 N3 O3 P2 S -","- C32 H29 Ag F3 N3 O3 P2 S -","- C64 H58 Ag2 F6 N6 O6 P4 S2 -","2","1","","Rao, Gyandshwar Kumar; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin","Coinage metal complexes supported by a ""PN(3)P"" scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19153","19162","10.1039/c5dt03515e","","","0.71073","MoKα","","0.0468","0.0436","","","0.1302","0.1359","","","","","","0.98","","","","has coordinates,has disorder","171201","2020-10-21","18:00:00",""
"7036885","10.981","0.003","16.883","0.004","16.996","0.004","90","","102.999","0.005","90","","3070.2","1.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,6-{Ph2PNMe}2(NC5H3)](AuCl)2","","- C31 H29 Au2 Cl2 N3 O0 P2 -","- C31 H29 Au2 Cl2 N3 P2 -","- C124 H116 Au8 Cl8 N12 P8 -","4","1","","Rao, Gyandshwar Kumar; Gorelsky, Serge I.; Korobkov, Ilia; Richeson, Darrin","Coinage metal complexes supported by a ""PN(3)P"" scaffold.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19153","19162","10.1039/c5dt03515e","","","0.71073","MoKα","","0.0225","0.0191","","","0.0479","0.0491","","","","","","1.01","","","","has coordinates","171201","2020-10-21","18:00:00",""
"7036886","14.9763","0.0005","10.5573","0.0003","27.4132","0.0011","90","","90","","90","","4334.3","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 Cu N4 O4 -","- C25 H18 Cu N4 O4 -","- C200 H144 Cu8 N32 O32 -","8","1","","Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Koch, Biplob; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, DNA binding, cellular DNA lesion and cytotoxicity of a series of new benzimidazole-based Schiff base copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19983","19996","10.1039/c5dt02880a","","","0.71073","MoKα","","0.0824","0.0424","","","0.0928","0.1112","","","","","","1.012","","","","has coordinates","171109","2020-10-21","18:00:00",""
"7036887","9.9413","0.0007","15.3917","0.001","17.7468","0.0011","69.236","0.003","85.698","0.005","72.483","0.003","2419.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cu N4 O4 -","- C27 H22 Cu N4 O4 -","- C108 H88 Cu4 N16 O16 -","4","2","","Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Koch, Biplob; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, DNA binding, cellular DNA lesion and cytotoxicity of a series of new benzimidazole-based Schiff base copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19983","19996","10.1039/c5dt02880a","","","0.71069","MoKα","","0.1497","0.102","","","0.2552","0.2796","","","","","","1.05","","","","has coordinates","171109","2020-10-21","18:00:00",""
"7036888","13.702","0.003","7.9004","0.0018","13.703","0.003","90","","108.642","0.006","90","","1405.5","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Fe K N8 -","- C8 H12 Fe K N8 -","- C32 H48 Fe4 K4 N32 -","4","0.5","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.033","0.0322","","","0.0754","0.0766","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036889","11.477","0.0015","11.477","0.0015","11.477","0.0015","90","","90","","90","","1511.8","0.3","443","2","443","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H12 Fe K N8 -","- C8 H11.52 Fe K N8 -","- C32 H46.08 Fe4 K4 N32 -","4","0.0208333","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0618","0.0618","","","0.1863","0.1863","","","","","","1.201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036890","8.2769","0.0004","8.2769","0.0004","11.6742","0.0008","90","","90","","90","","799.77","0.08","165","2","165","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Fe K N8 -","- C10 H16 Fe K N8 -","- C20 H32 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.07","0.0678","","","0.1761","0.1776","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036891","8.3101","0.0013","8.3101","0.0013","11.684","0.003","90","","90","","90","","806.9","0.3","298","2","298","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Fe K N8 -","- C10 H16 Fe K N8 -","- C20 H32 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0359","0.0314","","","0.0853","0.0891","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036892","15.3805","0.0017","8.4335","0.001","13.8969","0.0018","90","","107.583","0.003","90","","1718.4","0.4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Fe K N8 -","- C12 H20 Fe K N8 -","- C48 H80 Fe4 K4 N32 -","4","0.5","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.025","0.0247","","","0.0578","0.058","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036893","12.104","0.002","12.104","0.002","12.104","0.002","90","","90","","90","","1773.3","0.5","350","2","350","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H20 Fe K N8 -","- C12 H20.48 Fe K N8 -","- C48 H81.92 Fe4 K4 N32 -","4","0.0208333","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0351","0.0348","","","0.0917","0.0926","","","","","","1.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036894","8.843","0.002","8.843","0.002","12.15","0.004","90","","90","","90","","950.1","0.4","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C14 H24 Fe K N8 -","- C14 H24 Fe K N8 -","- C28 H48 Fe2 K2 N16 -","2","0.125","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0289","0.0286","","","0.0759","0.0762","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036895","12.451","0.002","12.451","0.002","12.451","0.002","90","","90","","90","","1930.2","0.5","373","2","373","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C14 H24 Fe K N8 -","- C14.16 H24.24 Fe K N8 -","- C56.64 H96.96 Fe4 K4 N32 -","4","0.0208333","","Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers","Dalton Trans.","2015","","","","","10.1039/C5DT03481G","","","0.71073","MoKα","","0.0263","0.0251","","","0.0625","0.0627","","","","","","1.231","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036896","11.96635","0.00013","17.8687","0.0002","23.4143","0.0003","90","","101.064","0.0012","90","","4913.46","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H71 N6 O Yb -","- C55 H71 N6 O Yb -","- C220 H284 N24 O4 Yb4 -","4","1","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","1.54184","CuKα","","0.0404","0.0318","","","0.0775","0.0835","","","","","","1.013","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036897","11.394","0.0004","12.9577","0.0005","17.4485","0.0004","95.366","0.003","108.726","0.003","91.235","0.003","2425.4","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H73 Eu N5 O2 -","- C50 H73 Eu N5 O2 -","- C100 H146 Eu2 N10 O4 -","2","1","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","0.71073","MoKα","","0.0239","0.0221","","","0.0532","0.0542","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036898","12.4002","0.0004","24.5649","0.0008","20.7771","0.0008","90","","121.754","0.002","90","","5381.6","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H77 N8 Yb -","- C57 H77 N8 Yb -","- C228 H308 N32 Yb4 -","4","1","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","0.71073","MoKα","","0.1049","0.0524","","","0.0804","0.1002","","","","","","0.923","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036899","20.2426","0.0006","16.1891","0.0003","19.2241","0.0005","90","","109.222","0.003","90","","5948.7","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H90 N4 Sm -","- C65 H90 N4 Sm -","- C260 H360 N16 Sm4 -","4","0.5","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","0.71073","MoKα","","0.0288","0.0268","","","0.0691","0.0706","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036900","12.149","0.002","21.676","0.004","16.55","0.003","90","","93.252","0.006","90","","4351.3","1.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N4 O2 Yb -","- C46 H58 N4 O2 Yb -","- C184 H232 N16 O8 Yb4 -","4","1","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","0.71075","MoKα","","0.0959","0.0624","","","0.1252","0.1439","","","","","","1.08","","","","has coordinates","171122","2020-10-21","18:00:00",""
"7036901","10.676","0.002","16.511","0.004","24.986","0.006","90","","93.886","0.004","90","","4394.2","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 Eu N5 O2 -","- C44 H63 Eu N5 O2 -","- C176 H252 Eu4 N20 O8 -","4","1","","Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi","Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20075","20086","10.1039/c5dt03674g","","","0.71075","MoKα","","0.0845","0.0594","","","0.1298","0.1444","","","","","","1.092","","","","has coordinates","171122","2020-10-21","18:00:00",""
"7036902","13.8628","0.0007","11.1945","0.0006","22.7606","0.0011","90","","94.945","0.002","90","","3519","0.3","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl2 F6 Ir N6 O6 P -","- C28 H34 Cl2 F6 Ir N6 O6 P -","- C112 H136 Cl8 F24 Ir4 N24 O24 P4 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","1.54178","CuKα","","0.0621","0.0595","","","0.1665","0.1703","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036903","8.9237","0.0012","12.9355","0.0018","15.352","0.002","72.425","0.002","82.518","0.003","72.619","0.002","1610.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H26 Cl F12 Ir N6 O2 P2 -","- C25 H26 Cl F12 Ir N6 O2 P2 -","- C50 H52 Cl2 F24 Ir2 N12 O4 P4 -","2","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","0.71073","MoKα","","0.0352","0.0331","","","0.0844","0.0857","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7036904","13.3456","0.0019","13.3584","0.0019","13.788","0.002","70.073","0.002","87.824","0.003","80.281","0.002","2277.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H38.25 F18 Ir N6 O1.75 P3 -","- C37.5 H37 F18 Ir N6 O1.75 P3 -","- C75 H74 F36 Ir2 N12 O3.5 P6 -","2","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","0.71073","MoKα","","0.0332","0.0314","","","0.0818","0.0831","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036905","12.2738","0.0019","12.369","0.002","19.218","0.003","98.396","0.003","101.854","0.003","97.282","0.002","2787.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 F18 Ir N10 P3 -","- C48 H56 F18 Ir N10 P3 -","- C96 H112 F36 Ir2 N20 P6 -","2","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","0.71073","MoKα","","0.0337","0.0311","","","0.0765","0.078","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036906","12.2122","0.0007","21.6961","0.0012","17.2606","0.0009","90","","101.776","0.001","90","","4477.1","0.4","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 F18 Ir N7 O P3 -","- C38 H41 F18 Ir N7 O P3 -","- C152 H164 F72 Ir4 N28 O4 P12 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","0.71073","MoKα","","0.05","0.0377","","","0.0845","0.0902","","","","","","1.013","","","","has coordinates","171257","2020-10-21","18:00:00",""
"7036907","14.2871","0.0004","19.2131","0.0005","37.1997","0.0009","90","","93.462","0.001","90","","10192.7","0.5","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 F24 Ir N6 O4 P3 -","- C42 H42 F24 Ir N6 O4 P3 -","- C336 H336 F192 Ir8 N48 O32 P24 -","8","1","","Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.","Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20392","20405","10.1039/c5dt03753k","","","1.54178","CuKα","","0.0401","0.038","","","0.0944","0.0958","","","","","","1.072","","","","has coordinates","171257","2020-10-21","18:00:00",""
"7036915","22.0899","0.0003","29.6893","0.0004","31.161","0.0005","112.956","0.0015","91.6469","0.0013","102.449","0.0012","18230.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C259.62 H531.23 Mn4 Mo24 N54 O104.5 -","- C259.62 H531.24 Mn4 Mo24 N54 O104.5 -","- C519.24 H1062.48 Mn8 Mo48 N108 O209 -","2","1","","Vanhaecht, Stef; Jacobs, Jeroen; Van Meervelt, Luc; Parac-Vogt, Tatjana N","A versatile and highly efficient post-functionalization method for grafting organic molecules onto Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19059","19062","10.1039/c5dt03559g","","","0.71073","MoKα","","0.1199","0.0895","","","0.1731","0.1918","","","","","","1.059","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036916","9.3126","0.0005","11.022","0.0006","11.5938","0.0006","113.644","0.004","108.01","0.004","93.801","0.004","1011.68","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis[2-(hydroxyimino) propionato] tin (II)","bis[2-(hydroxyimino) propionato] tin (II)","","- C6 H8 N2 O6 Sn -","- C6 H8 N2 O6 Sn -","- C24 H32 N8 O24 Sn4 -","4","2","","Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah Ameen; Rothenberger, Alexander","Tin(ii) ketoacidoximates: synthesis, X-ray structures and processing to tin(ii) oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19820","19828","10.1039/c5dt03103f","","","0.71073","MoKα","","0.0252","0.0191","","","0.0439","0.0459","","","","","","1.045","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7036917","17.656","0.005","14.064","0.005","18.87","0.005","90","0.005","117.126","0.005","90","0.005","4170","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diaqua tris[2-(methoxyimino) propionato] tin(II) ammonium salt","Diaqua tris[2-(methoxyimino) propionato] tin(II) ammonium salt","","- C12 H26 N4 O11 Sn -","- C12 H26 N4 O11 Sn -","- C96 H208 N32 O88 Sn8 -","8","1","","Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah Ameen; Rothenberger, Alexander","Tin(ii) ketoacidoximates: synthesis, X-ray structures and processing to tin(ii) oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19820","19828","10.1039/c5dt03103f","","","0.71073","MoKα","","0.023","0.0194","","","0.0489","0.0512","","","","","","1.059","","","","has coordinates,has disorder","171126","2020-10-21","18:00:00",""
"7036918","12.039","0.005","12.259","0.005","12.506","0.005","90","","90","","90","","1845.7","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis[2-(hydroxyimino)3-phenyl-propionato] tin (II)","bis[2-(hydroxyimino)3-phenyl-propionato] tin (II)","","- C18 H16 N2 O6 Sn -","- C18 H16 N2 O6 Sn -","- C72 H64 N8 O24 Sn4 -","4","1","","Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah Ameen; Rothenberger, Alexander","Tin(ii) ketoacidoximates: synthesis, X-ray structures and processing to tin(ii) oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19820","19828","10.1039/c5dt03103f","","","0.71073","MoKα","","0.111","0.0542","","","0.061","0.0742","","","","","","1.068","","","","has coordinates","171126","2020-10-21","18:00:00",""
"7036919","5.61386","0.00025","5.86564","0.00027","8.11572","0.00036","90","","90.1608","0.0032","90","","267.24","0.02","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ca2 La Nb O6 -","- Ca2 La Nb O6 -","- Ca4 La2 Nb2 O12 -","2","0.5","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.24","1.149","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036920","5.62249","0.00048","5.86915","0.00051","8.12955","0.00067","90","","90.1512","0.0079","90","","268.27","0.04","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ba0.6 Ca3.4 La2 Nb2 O12 -","- Ba0.6 Ca3.4 La2 Nb2 O12 -","- Ba0.6 Ca3.4 La2 Nb2 O12 -","1","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.34","1.226","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036921","10.263","0.0016","5.93291","0.0006","5.93977","0.00075","90","","125.275","0.011","90","","295.26","0.08","300","","300","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba1.2 Ca0.8 La Nb O6 -","- Ba1.2 Ca0.8 La Nb O6 -","- Ba2.4 Ca1.6 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.9","1.335","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036922","10.3628","0.0018","5.9652","0.0011","5.9606","0.0012","90","","125.34","0.0087","90","","300.57","0.1","300","","300","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba1.6 Ca0.4 La Nb O6 -","- Ba1.6 Ca0.4 La Nb O6 -","- Ba3.2 Ca0.8 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.98","1.311","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036923","10.4771","0.0012","6.0588","0.00059","6.03093","0.00069","90","","125.386","0.0057","90","","312.11","0.06","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba2 La Nb O6 -","- Ba2 La Nb O6 -","- Ba4 La2 Nb2 O12 -","2","0.25","","Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu","Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors","Dalton Transactions","2015","44","0","18536","18543","10.1039/c5dt03430b","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","1.13","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036924","12.3626","0.0003","10.7476","0.0003","14.5062","0.0005","90","","107.625","0.0012","90","","1836.94","0.09","150","","150","","","","","","","","SYN","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 Rh2 -","- C18 H18 O4 Rh2 -","- C72 H72 O16 Rh8 -","4","1","","Chadwick, F. Mark; Ashley, Andrew E.; Cooper, Robert T.; Bennett, Luke A.; Green, Jennifer C.; O'Hare, Dermot M","Group 9 bimetallic carbonyl permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20147","20153","10.1039/c5dt03747f","","","0.71073","MoKα","","0.0568","0.0412","","0.114","0.1038","0.1005","","","","","","1.0293","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036925","12.2542","0.0003","10.8292","0.0003","14.3587","0.0003","90","","106.913","0.0011","90","","1823.03","0.08","150","","150","","","","","","","","SYN","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ir2 O4 -","- C18 H18 Ir2 O4 -","- C72 H72 Ir8 O16 -","4","1","","Chadwick, F. Mark; Ashley, Andrew E.; Cooper, Robert T.; Bennett, Luke A.; Green, Jennifer C.; O'Hare, Dermot M","Group 9 bimetallic carbonyl permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20147","20153","10.1039/c5dt03747f","","","0.71073","MoKα","","0.0459","0.0349","","0.0855","0.0793","0.0768","","","","","","0.9982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036926","10.5875","0.0002","9.7143","0.0002","15.3682","0.0003","90","","94.8887","0.0007","90","","1574.87","0.05","150","","150","","","","","","","","SYN","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 Rh2 -","- C17 H18 O3 Rh2 -","- C68 H72 O12 Rh8 -","4","1","","Chadwick, F. Mark; Ashley, Andrew E.; Cooper, Robert T.; Bennett, Luke A.; Green, Jennifer C.; O'Hare, Dermot M","Group 9 bimetallic carbonyl permethylpentalene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20147","20153","10.1039/c5dt03747f","","","0.71073","MoKα","","0.0414","0.0357","","0.0866","0.0839","0.0823","","","","","","0.9857","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036928","12.117","0.001","10.014","0.0008","24.495","0.002","90","","103.577","0.002","90","","2889.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl3 N3 Pd S -","- C26 H36 Cl3 N3 Pd S -","- C104 H144 Cl12 N12 Pd4 S4 -","4","1","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.0294","0.0243","","","0.0526","0.0548","","","","","","1.027","","","","has coordinates","171255","2020-10-21","18:00:00",""
"7036929","12.9047","0.001","21.0538","0.0015","21.9172","0.0016","90","","92.845","0.002","90","","5947.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45 B F24 N3 Pd S -","- C57 H45 B F24 N3 Pd S -","- C228 H180 B4 F96 N12 Pd4 S4 -","4","1","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.057","0.0419","","","0.1059","0.1161","","","","","","1.02","","","","has coordinates","171255","2020-10-21","18:00:00",""
"7036930","41.545","0.01","12.996","0.003","24.09","0.005","90","","104.638","0.005","90","","12584","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H54 B F24 N3 O2 Pd S -","- C59 H54 B F24 N3 O2 Pd S -","- C472 H432 B8 F192 N24 O16 Pd8 S8 -","8","1","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.0772","0.055","","","0.1352","0.15","","","","","","1.024","","","","has coordinates,has disorder","171255","2020-10-21","18:00:00",""
"7036931","12.922","0.003","21.107","0.004","21.915","0.005","90","","93.167","0.005","90","","5968","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 B F24 N3 Pd Se -","- C57 H46 B F24 N3 Pd Se -","- C228 H184 B4 F96 N12 Pd4 Se4 -","4","1","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.1338","0.0693","","","0.1679","0.2023","","","","","","1.039","","","","has coordinates","171255","2020-10-21","18:00:00",""
"7036932","41.676","0.003","12.9343","0.001","24.0868","0.0018","90","","104.931","0.002","90","","12545.6","1.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H54 B F24 N3 O2 Pd Se -","- C59 H54 B F24 N3 O2 Pd Se -","- C472 H432 B8 F192 N24 O16 Pd8 Se8 -","8","1","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.1221","0.0618","","","0.1316","0.1591","","","","","","1.026","","","","has coordinates","171255","2020-10-21","18:00:00",""
"7036933","8.9985","0.0007","9.7348","0.0008","12.7904","0.001","94.752","0.002","97.174","0.002","111.388","0.002","1025.05","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H46 Cl4 N6 O2 Pd2 -","- C39 H46 Cl4 N6 O2 Pd2 -","- C39 H46 Cl4 N6 O2 Pd2 -","1","0.5","","Kumar, Kamlesh; Darkwa, James","Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20714","20727","10.1039/c5dt03929k","","","0.71073","MoKα","","0.0283","0.0239","","","0.0521","0.0541","","","","","","1.038","","","","has coordinates","171255","2020-10-21","18:00:00",""
"7036934","8.535","0.002","19.12","0.005","22.172","0.006","90","","90","","90","","3618.2","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N12 S4 -","- C36 H38 N12 S4 -","- C144 H152 N48 S16 -","4","1","","Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I.","Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","144","155","10.1039/c5dt02537k","","","0.6889","","","0.1037","0.0993","","","0.2565","0.2666","","","","","","1.061","","","","has coordinates","176112","2020-10-21","18:00:00",""
"7036935","7.859","0.007","11.04","0.009","12.049","0.009","90.546","0.006","95.388","0.001","110.304","0.013","975.1","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N6 S2 -","- C20 H20 N6 S2 -","- C40 H40 N12 S4 -","2","1","","Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I.","Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","144","155","10.1039/c5dt02537k","","","0.6889","","","0.0802","0.0573","","","0.1398","0.151","","","","","","1.049","","","","has coordinates","176112","2020-10-21","18:00:00",""
"7036936","11.5523","0.0001","11.7595","0.0003","12.0749","0.0003","114.468","0.002","105.483","0.0017","93.4737","0.0018","1411.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl Ga N6 O2 S4 -","- C22 H30 Cl Ga N6 O2 S4 -","- C44 H60 Cl2 Ga2 N12 O4 S8 -","2","1","","Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I.","Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","144","155","10.1039/c5dt02537k","","","0.71073","MoKα","","0.0695","0.0445","","","0.1019","0.1163","","","","","","1.023","","","","has coordinates,has disorder","176112","2020-10-21","18:00:00",""
"7036937","12.117","0.001","10.014","0.0008","24.495","0.002","90","","103.577","0.002","90","","2889.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Cl3 N3 Pd S -","- C26 H36 Cl3 N3 Pd S -","- C104 H144 Cl12 N12 Pd4 S4 -","4","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.0294","0.0243","","","0.0526","0.0548","","","","","","1.027","","","","has coordinates","171262","2020-10-21","18:00:00",""
"7036938","12.9047","0.001","21.0538","0.0015","21.9172","0.0016","90","","92.845","0.002","90","","5947.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45 B F24 N3 Pd S -","- C57 H45 B F24 N3 Pd S -","- C228 H180 B4 F96 N12 Pd4 S4 -","4","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.057","0.0419","","","0.1059","0.1161","","","","","","1.02","","","","has coordinates","171262","2020-10-21","18:00:00",""
"7036939","41.545","0.01","12.996","0.003","24.09","0.005","90","","104.638","0.005","90","","12584","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H54 B F24 N3 O2 Pd S -","- C59 H54 B F24 N3 O2 Pd S -","- C472 H432 B8 F192 N24 O16 Pd8 S8 -","8","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.0772","0.055","","","0.1352","0.15","","","","","","1.024","","","","has coordinates,has disorder","171262","2020-10-21","18:00:00",""
"7036940","12.922","0.003","21.107","0.004","21.915","0.005","90","","93.167","0.005","90","","5968","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H46 B F24 N3 Pd Se -","- C57 H46 B F24 N3 Pd Se -","- C228 H184 B4 F96 N12 Pd4 Se4 -","4","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.1338","0.0693","","","0.1679","0.2023","","","","","","1.039","","","","has coordinates","171262","2020-10-21","18:00:00",""
"7036941","41.676","0.003","12.9343","0.001","24.0868","0.0018","90","","104.931","0.002","90","","12545.6","1.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C59 H54 B F24 N3 O2 Pd Se -","- C59 H54 B F24 N3 O2 Pd Se -","- C472 H432 B8 F192 N24 O16 Pd8 Se8 -","8","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.1221","0.0618","","","0.1316","0.1591","","","","","","1.026","","","","has coordinates","171262","2020-10-21","18:00:00",""
"7036942","8.9985","0.0007","9.7348","0.0008","12.7904","0.001","94.752","0.002","97.174","0.002","111.388","0.002","1025.05","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H46 Cl4 N6 O2 Pd2 -","- C39 H46 Cl4 N6 O2 Pd2 -","- C39 H46 Cl4 N6 O2 Pd2 -","1","0.5","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.0283","0.0239","","","0.0521","0.0541","","","","","","1.038","","","","has coordinates","171262","2020-10-21","18:00:00",""
"7036943","16.545","0.002","15.0376","0.0019","18.105","0.002","90","","103.965","0.002","90","","4371.3","0.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H92 Co2 Dy2 N4 O22 P6 -","- C68 H92 Co2 Dy2 N4 O22 P6 -","- C136 H184 Co4 Dy4 N8 O44 P12 -","2","0.5","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0393","0.0315","","","0.0637","0.066","","","","","","1.124","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036944","16.5901","0.0013","15.1586","0.0012","17.8997","0.0014","90","","104.069","0.001","90","","4366.4","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H92 Co2 N4 O22 P6 Tb2 -","- C68 H92 Co2 N4 O22 P6 Tb2 -","- C136 H184 Co4 N8 O44 P12 Tb4 -","2","0.5","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0442","0.0342","","","0.0861","0.0901","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036945","16.5198","0.0015","15.0667","0.0014","17.9808","0.0016","90","","103.962","0.001","90","","4343.2","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H92 Co2 Ho2 N4 O22 P6 -","- C68 H92 Co2 Ho2 N4 O22 P6 -","- C136 H184 Co4 Ho4 N8 O44 P12 -","2","0.5","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0436","0.0331","","","0.0667","0.0692","","","","","","1.155","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036946","17.2901","0.0012","18.5029","0.0015","18.8088","0.001","68.338","0.001","83.061","0.001","73.829","0.002","5369.9","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 Cl4 Co2 Dy2 N4 O22 P6 -","- C74 H92 Cl4 Co2 Dy2 N4 O22 P6 -","- C148 H184 Cl8 Co4 Dy4 N8 O44 P12 -","2","1","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0677","0.058","","","0.1483","0.15","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036947","17.1964","0.0013","18.5225","0.0014","18.7909","0.0012","68.123","0.001","82.766","0.001","73.739","0.002","5330.5","0.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 Cl4 Co2 N4 O22 P6 Tb2 -","- C74 H92 Cl4 Co2 N4 O22 P6 Tb2 -","- C148 H184 Cl8 Co4 N8 O44 P12 Tb4 -","2","1","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0623","0.0526","","","0.1381","0.139","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036948","17.0998","0.0015","18.3911","0.0016","18.8856","0.0013","68.113","0.001","83.209","0.001","74.007","0.002","5297","0.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 Cl4 Co2 Ho2 N4 O22 P6 -","- C74 H92 Cl4 Co2 Ho2 N4 O22 P6 -","- C148 H184 Cl8 Co4 Ho4 N8 O44 P12 -","2","1","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0667","0.0579","","","0.1562","0.1577","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036949","16.6338","0.0008","15.3666","0.0007","18.0084","0.0008","90","","104.282","0.002","90","","4460.8","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H92 Co2 Gd2 N4 O22 P6 -","- C68 H92 Co2 Gd2 N4 O22 P6 -","- C136 H184 Co4 Gd4 N8 O44 P12 -","2","0.5","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0518","0.0395","","","0.0952","0.0978","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036950","16.8336","0.0015","15.6695","0.0014","18.0357","0.0012","90","","104.523","0.002","90","","4605.3","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H92 Co2 N4 O22 P6 Y2 -","- C68 H92 Co2 N4 O22 P6 Y2 -","- C136 H184 Co4 N8 O44 P12 Y4 -","2","0.5","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0617","0.0364","","","0.0837","0.0857","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036951","17.2141","0.0016","18.5487","0.0012","18.7655","0.0014","68.314","0.002","82.664","0.003","73.937","0.002","5348.2","0.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 Cl4 Co2 Gd2 N4 O22 P6 -","- C74 H92 Cl4 Co2 Gd2 N4 O22 P6 -","- C148 H184 Cl8 Co4 Gd4 N8 O44 P12 -","2","1","","Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue","Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20232","20241","10.1039/c5dt03580e","","","0.71073","MoKα","","0.0896","0.0527","","","0.1414","0.1466","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036952","11.145","0.0007","16.9903","0.001","17.4117","0.001","90","","90","","90","","3297","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Ni P2 S4 -","- C36 H28 Ni P2 S4 -","- C144 H112 Ni4 P8 S16 -","4","0.5","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.0596","0.0376","","","0.0877","0.0984","","","","","","1.013","","","","has coordinates","171142","2020-10-21","18:00:00",""
"7036953","9.5352","0.0003","11.8573","0.0005","13.0288","0.0006","80.481","0.002","73.24","0.002","76.247","0.002","1362.6","0.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H48 Cl2 N6 Ni O8 P2 S4 -","- C48 H48 Cl2 N6 Ni O8 P2 S4 -","- C48 H48 Cl2 N6 Ni O8 P2 S4 -","1","0.5","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.1183","0.0651","","","0.1699","0.2237","","","","","","1.043","","","","has coordinates,has disorder","171142","2020-10-21","18:00:00",""
"7036954","29.5398","0.0018","14.4527","0.0009","14.871","0.001","90","","92.55","0.002","90","","6342.6","0.7","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H47 Cl2 N8 Ni O9 P2 S4 -","- C52 H36 Cl2 N8 Ni O9 P2 S4 -","- C208 H144 Cl8 N32 Ni4 O36 P8 S16 -","4","0.5","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.2123","0.1098","","","0.2648","0.3394","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036955","8.6493","0.0003","10.7076","0.0004","13.9856","0.0006","109.381","0.002","90.385","0.002","105.756","0.002","1169.24","0.08","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H21 Cl N O5 P S2 -","- C22 H21 Cl N O5 P S2 -","- C44 H42 Cl2 N2 O10 P2 S4 -","2","1","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.0998","0.0635","","","0.16","0.1981","","","","","","1.06","","","","has coordinates","171142","2020-10-21","18:00:00",""
"7036956","12.0439","0.0007","11.1901","0.0007","17.4924","0.0015","90","","102.248","0.002","90","","2303.8","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N O8 P S -","- C20 H20 Cl2 N O8 P S -","- C80 H80 Cl8 N4 O32 P4 S4 -","4","1","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.1138","0.0655","","","0.154","0.1795","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036957","8.5819","0.0014","9.2554","0.0013","12.46","0.002","90","","114.276","0.011","90","","902.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Se4 Sn -","- Ba2 Se4 Sn -","- Ba8 Se16 Sn4 -","4","1","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0597","0.0366","","","0.0759","0.0833","","","","","","1.006","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7036958","15.372","0.006","5.7611","0.0017","13.42","0.004","90","","115.72","0.02","90","","1070.7","0.6","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba Ge S3 -","- Ba Ge S3 -","- Ba8 Ge8 S24 -","8","2","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0699","0.036","","","0.0544","0.0606","","","","","","1.008","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7036959","13.5","0.03","7.851","0.015","6.366","0.012","90","","90","","90","","675","2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg2 Se4 -","- Ge Mg2 Se4 -","- Ge4 Mg8 Se16 -","4","0.5","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0556","0.033","","","0.052","0.0556","","","","","","0.98","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7036960","22.381","0.014","22.711","0.014","13.588","0.009","90","","90","","90","","6907","8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ba Cd Se4 Sn -","- Ba Cd Se4 Sn -","- Ba32 Cd32 Se128 Sn32 -","32","2","","Wu, Kui; Su, Xin; Yang, Zhihua; Pan, Shilie","An investigation of new infrared nonlinear optical material: BaCdSnSe4, and three new related centrosymmetric compounds: Ba2SnSe4, Mg2GeSe4, and Ba2Ge2S6.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19856","19864","10.1039/c5dt03215f","","","0.71073","MoKα","","0.0681","0.0346","","","0.0594","0.066","","","","","","0.922","","","","has coordinates","171118","2020-10-21","18:00:00",""
"7036961","18.019","0.005","13.583","0.004","17.34","0.004","90","","118.552","0.007","90","","3727.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 Fe N6 O2 -","- C40 H53 Fe N6 O2 -","- C160 H212 Fe4 N24 O8 -","4","1","","Xu, Nan; Christian, Jonathan H.; Dalal, Naresh S.; Abucayon, Erwin G.; Lingafelt, Colin; Powell, Douglas R.; Richter-Addo, George B","Six-coordinate ferric porphyrins containing bidentate N-t-butyl-N-nitrosohydroxylaminato ligands: structure, magnetism, IR spectroelectrochemisty, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20121","20130","10.1039/c5dt03074a","","","0.71073","MoKα","","0.1297","0.0808","","","0.2058","0.2382","","","","","","1.014","","","","has coordinates,has disorder","171127","2020-10-21","18:00:00",""
"7036962","9.7262","0.0015","13.217","0.002","17.511","0.003","95.746","0.003","105.162","0.003","100.15","0.004","2113.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl2 Fe N6 O2 -","- C49 H39 Cl2 Fe N6 O2 -","- C98 H78 Cl4 Fe2 N12 O4 -","2","1","","Xu, Nan; Christian, Jonathan H.; Dalal, Naresh S.; Abucayon, Erwin G.; Lingafelt, Colin; Powell, Douglas R.; Richter-Addo, George B","Six-coordinate ferric porphyrins containing bidentate N-t-butyl-N-nitrosohydroxylaminato ligands: structure, magnetism, IR spectroelectrochemisty, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20121","20130","10.1039/c5dt03074a","","","0.71073","MoKα","","0.0724","0.0584","","","0.1527","0.1613","","","","","","1.005","","","","has coordinates,has disorder","171127","2020-10-21","18:00:00",""
"7036963","9.8358","0.0013","11.9775","0.0016","23.149","0.003","81.837","0.002","79.205","0.002","74.975","0.002","2574.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H47 Fe N7 O5 -","- C58 H47 Fe N7 O5 -","- C116 H94 Fe2 N14 O10 -","2","1","","Xu, Nan; Christian, Jonathan H.; Dalal, Naresh S.; Abucayon, Erwin G.; Lingafelt, Colin; Powell, Douglas R.; Richter-Addo, George B","Six-coordinate ferric porphyrins containing bidentate N-t-butyl-N-nitrosohydroxylaminato ligands: structure, magnetism, IR spectroelectrochemisty, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20121","20130","10.1039/c5dt03074a","","","0.71073","MoKα","","0.0665","0.0436","","","0.1045","0.1165","","","","","","0.986","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7036964","22.043","0.001","14.9292","0.0007","14.808","0.0006","90","","118.618","0.003","90","","4277.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H41 N S -","- C16 H36 N S -","- C128 H288 N8 S8 -","8","1","","Hartle, Matthew D.; Meininger, Daniel J.; Zakharov, Lev N.; Tonzetich, Zachary J.; Pluth, Michael D.","NBu4SH provides a convenient source of HS(-) soluble in organic solution for H2S and anion-binding research.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19782","19785","10.1039/c5dt03355a","","","1.54178","CuKα","","0.0934","0.0741","","","0.2044","0.218","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036965","9.608","0.005","9.713","0.005","14.956","0.005","97.457","0.005","99.221","0.005","104.685","0.005","1311.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl2 N5 O4 Ru -","- C28 H19 Cl2 N5 O4 Ru -","- C56 H38 Cl4 N10 O8 Ru2 -","2","1","","Singh, Alok Kumar; Nagarajan, Rajamani","A sequential logic gate-based ""smart probe"" for selective monitoring of Cu(2+), Fe(3+) and CN(-)/F(-)via differential analyses.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19786","19790","10.1039/c5dt03567h","","","0.71073","MoKα","","0.0942","0.0823","","","0.2449","0.2526","","","","","","1.219","","","","has coordinates","171138","2020-10-21","18:00:00",""
"7036966","15.6124","0.0001","15.6124","0.0001","15.6124","0.0001","90","","90","","90","","3805.48","0.04","293","2","293","2","","","","","","","","6","P 43 3 2","P 4acd 2ab 3","212","","","","- C36 H24 Cu Mn2 N6 O13 -","- C36 H24 Cu Mn2 N6 O12.99 -","- C144 H96 Cu4 Mn8 N24 O51.96 -","4","0.166667","","Jurić, Marijana; Pajić, Damir; Žilić, Dijana; Rakvin, Boris; Molčanov, Krešimir; Popović, Jasminka","Magnetic order in a novel 3D oxalate-based coordination polymer {[Cu(bpy)3][Mn2(C2O4)3]·H2O}n.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20626","20635","10.1039/c5dt02933c","","","1.5418","CuKα","","","0.0422","","","","0.1158","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036967","14.3553","0.0008","15.2389","0.0011","8.8543","0.0007","90","","90","","90","","1937","0.2","150","2","150","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 Fe N6 -","- C16 H24 B2 Fe N6 -","- C64 H96 B8 Fe4 N24 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.042","0.0294","","","0.0591","0.063","","","","","","1.044","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7036968","14.3196","0.0018","15.4416","0.0014","9.451","0.001","90","","90","","90","","2089.8","0.4","373","2","373","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 Fe N6 -","- C16 H24 B2 Fe N6 -","- C64 H96 B8 Fe4 N24 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.101","0.0395","","","0.0728","0.1001","","","","","","1.052","","","","has coordinates,has disorder","206166","2020-10-21","18:00:00",""
"7036969","7.3852","0.0012","11.0858","0.0018","11.912","0.002","105.378","0.002","91.266","0.003","101.044","0.003","920.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Fe N6 O3 -","- C16 H20 Fe N6 O3 -","- C32 H40 Fe2 N12 O6 -","2","1","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.0407","0.0348","","","0.0918","0.0963","","","","","","1.016","","","","has coordinates","171241","2020-10-21","18:00:00",""
"7036970","14.329","0.004","15.405","0.004","9.2136","0.0018","90","","90","","90","","2033.8","0.9","298","2","298","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H24 B2 N6 Ni -","- C16 H24 B2 N6 Ni -","- C64 H96 B8 N24 Ni4 -","4","0.5","","Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min","In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20551","20561","10.1039/c5dt03464g","","","0.71073","MoKα","","0.0784","0.0365","","","0.058","0.0657","","","","","","1.05","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7036971","13.7122","0.0014","14.9092","0.0015","17.2336","0.0018","90","","98.473","0.002","90","","3484.7","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cl Co F12 Li2 N O6 -","- C28 H32 Cl Co F12 Li2 N O6 -","- C112 H128 Cl4 Co4 F48 Li8 N4 O24 -","4","1","","Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.","Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20207","20215","10.1039/c5dt03960f","","","0.71073","MoKα","","0.0551","0.0366","","","0.0888","0.0941","","","","","","1.044","","","","has coordinates,has disorder","171123","2020-10-21","18:00:00",""
"7036972","11.7492","0.0006","12.6849","0.0007","15.56","0.0008","66.597","0.0011","72.1457","0.0011","63.4597","0.001","1880.28","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H74 Cl2 F24 Li4 Mn2 N2 O14 -","- C60 H74 Cl2 F24 Li4 Mn2 N2 O14 -","- C60 H74 Cl2 F24 Li4 Mn2 N2 O14 -","1","0.5","","Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.","Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20207","20215","10.1039/c5dt03960f","","","0.71073","MoKα","","0.0482","0.032","","","0.0758","0.0798","","","","","","0.975","","","","has coordinates","171123","2020-10-21","18:00:00",""
"7036973","10.0895","0.0007","11.9761","0.0008","30.403","0.002","84.244","0.001","87.334","0.001","70.942","0.001","3454.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H32 Cl F12 Li2 N Ni O6 -","- C28 H32 Cl F12 Li2 N Ni O6 -","- C112 H128 Cl4 F48 Li8 N4 Ni4 O24 -","4","2","","Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.","Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20207","20215","10.1039/c5dt03960f","","","0.71073","MoKα","","0.0655","0.0351","","","0.0753","0.0854","","","","","","0.917","","","","has coordinates","171123","2020-10-21","18:00:00",""
"7036974","11.34","0.0006","6.6324","0.0003","7.1986","0.0003","90","","102.313","0.003","90","","528.96","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Mg O6 -","- C10 H10 Mg O6 -","- C20 H20 Mg2 O12 -","2","0.5","","Xu, Feng; Wang, Hao; Teat, Simon J.; Liu, Wei; Xia, Qibin; Li, Zhong; Li, Jing","Synthesis, structure and enhanced photoluminescence properties of two robust, water stable calcium and magnesium coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20459","20463","10.1039/c5dt03705k","","","0.7749","synchrotron","","0.0574","0.0495","","","0.1133","0.1167","","","","","","1.223","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036975","11.6947","0.0004","6.8463","0.0003","12.2702","0.0004","90","","90.406","0.0016","90","","982.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ca O5 -","- C10 H8 Ca O5 -","- C40 H32 Ca4 O20 -","4","1","","Xu, Feng; Wang, Hao; Teat, Simon J.; Liu, Wei; Xia, Qibin; Li, Zhong; Li, Jing","Synthesis, structure and enhanced photoluminescence properties of two robust, water stable calcium and magnesium coordination networks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20459","20463","10.1039/c5dt03705k","","","0.7749","synchrotron","","0.0309","0.0276","","","0.0739","0.0759","","","","","","1.055","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7036988","12.3705","0.0004","10.8698","0.0004","26.8207","0.0009","90","","90","","90","","3606.4","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H61 Mn N2 O4 -","- C36 H61 Mn N2 O4 -","- C144 H244 Mn4 N8 O16 -","4","1","","Daneshmand, Pargol; Schaper, Frank","Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20449","20458","10.1039/c5dt03756e","","x-ray","1.54178","CuKα","","0.0308","0.0299","","","0.0773","0.0779","","","","","","1.031","","","","has coordinates,has disorder","171258","2020-10-21","18:00:00",""
"7036989","10.5736","0.0008","12.2554","0.0009","16.4321","0.0013","104.32","0.005","103.352","0.005","92.336","0.005","1996.6","0.3","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 Mn N2 O5 -","- C39 H61 Mn N2 O5 -","- C78 H122 Mn2 N4 O10 -","2","1","","Daneshmand, Pargol; Schaper, Frank","Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20449","20458","10.1039/c5dt03756e","","x-ray","1.34139","GaKα","","0.1346","0.0734","","","0.1817","0.216","","","","","","1.023","","","","has coordinates,has disorder","171258","2020-10-21","18:00:00",""
"7036990","15.2595","0.0008","15.959","0.0009","15.8429","0.0009","90","","106.365","0.004","90","","3701.9","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 Cl Mn N2 O4 -","- C37 H56 Cl Mn N2 O4 -","- C148 H224 Cl4 Mn4 N8 O16 -","4","1","","Daneshmand, Pargol; Schaper, Frank","Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20449","20458","10.1039/c5dt03756e","","x-ray","1.34139","GaKα","","0.1884","0.0997","","","0.2611","0.3137","","","","","","1.035","","","","has coordinates,has disorder","171258","2020-10-21","18:00:00",""
"7036991","12.7413","0.0007","13.0938","0.0007","16.8087","0.0009","90","","100.589","0.002","90","","2756.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl5 Mn N2 O3 -","- C21 H18 Cl5 Mn N2 O3 -","- C84 H72 Cl20 Mn4 N8 O12 -","4","1","","Daneshmand, Pargol; Schaper, Frank","Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20449","20458","10.1039/c5dt03756e","","x-ray","1.54178","CuKα","","0.0436","0.0394","","","0.1069","0.1116","","","","","","1.043","","","","has coordinates","171258","2020-10-21","18:00:00",""
"7036992","15.4846","0.0008","15.5616","0.0009","15.9167","0.0009","90","","111.364","0.001","90","","3571.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N5 Si2 Yb -","- C32 H48 N5 Si2 Yb -","- C128 H192 N20 Si8 Yb4 -","4","0.5","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0187","0.0171","","","0.0413","0.0424","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036993","10.6351","0.0008","32.28","0.003","11.9849","0.0009","90","","110.044","0.001","90","","3865.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 N3 O2 Si2 Y -","- C35 H58 N3 O2 Si2 Y -","- C140 H232 N12 O8 Si8 Y4 -","4","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.1057","0.0493","","","0.1046","0.1248","","","","","","1.007","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036994","9.814","0.003","15.222","0.004","21.286","0.006","73.257","0.003","86.632","0.003","77.623","0.003","2974.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H84 N6 Si4 Sm2 -","- C54 H84 N6 Si4 Sm2 -","- C108 H168 N12 Si8 Sm4 -","2","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0932","0.0614","","","0.1575","0.1793","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036995","15.9322","0.0009","12.3743","0.0007","16.8816","0.0009","90","","117.435","0.001","90","","2953.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H42 N3 Nd Si2 -","- C27 H42 N3 Nd Si2 -","- C108 H168 N12 Nd4 Si8 -","4","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0483","0.0276","","","0.0598","0.0666","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036996","18.6067","0.0012","18.6067","0.0012","36.828","0.002","90","","90","","120","","11042","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C63 H69 N6 Y -","- C63 H69 N6 Y -","- C378 H414 N36 Y6 -","6","0.333333","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.1345","0.0535","","","0.1261","0.1401","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036997","10.244","0.002","10.812","0.002","12.997","0.003","69.12","0.003","72.005","0.003","86.183","0.003","1277.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 N4 O2 Yb -","- C50 H62 N4 O2 Yb -","- C50 H62 N4 O2 Yb -","1","0.5","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.1035","0.0661","","","0.1696","0.1866","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036998","12.5496","0.0008","12.7106","0.0008","13.0429","0.0008","91.97","0.001","98.005","0.001","116.317","0.001","1835.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Eu N5 Si2 -","- C36 H40 Eu N5 Si2 -","- C72 H80 Eu2 N10 Si4 -","2","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0659","0.0375","","","0.0717","0.084","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036999","18.2694","0.0009","11.729","0.0006","17.2018","0.0009","90","","108.67","0.001","90","","3492.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 Eu N4 Si4 -","- C25 H51 Eu N4 Si4 -","- C100 H204 Eu4 N16 Si16 -","4","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0515","0.0308","","","0.0649","0.0715","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037000","10.571","0.004","32.187","0.011","12.964","0.003","90","","120.23","0.02","90","","3811","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H58 Er N3 O2 Si2 -","- C35 H58 Er N3 O2 Si2 -","- C140 H232 Er4 N12 O8 Si8 -","4","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0981","0.0929","","","0.2421","0.245","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037001","10.6543","0.0007","32.27","0.002","12.0034","0.0008","90","","110.349","0.001","90","","3869.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 Dy N3 O2 Si2 -","- C35 H58 Dy N3 O2 Si2 -","- C140 H232 Dy4 N12 O8 Si8 -","4","1","","Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong","Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20502","20513","10.1039/c5dt03214h","","","0.71073","MoKα","","0.0457","0.0388","","","0.1454","0.1534","","","","","","0.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037002","11.797","0.002","12.889","0.002","14.037","0.003","66.065","0.004","78.731","0.004","69.924","0.004","1828.3","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Th(TPO)(OH)(H2O)","Thorium carboxylate","","- C21 H12 O17 P Th -","- C21 H12 O17 P Th -","- C42 H24 O34 P2 Th2 -","2","1","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Liu, Yunhai; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Centrosymmetric and chiral porous thorium organic frameworks exhibiting uncommon thorium coordination environments.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20867","20873","10.1039/c5dt03363b","","","0.71073","MoKα","","0.0695","0.0653","","","0.2289","0.2353","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037003","21.735","0.002","23.205","0.002","10.5286","0.001","90","","90","","90","","5310.2","0.8","273","2","273","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Th(TPO)Cl2","Thorium Caroboxylate","","- C21 H12 Cl2 O7 P Th -","- C21 H12 Cl2 O7 P Th -","- C84 H48 Cl8 O28 P4 Th4 -","4","1","","Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Liu, Yunhai; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Centrosymmetric and chiral porous thorium organic frameworks exhibiting uncommon thorium coordination environments.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20867","20873","10.1039/c5dt03363b","","","0.71073","MoKα","","0.0793","0.0632","","","0.181","0.1956","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037004","6.253","0.0015","7.052","0.002","12.075","0.003","79.9","0.02","88.21","0.02","71.13","0.02","495.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","1","0.5","","Liu, Min-Min; Bi, Yan-Lin; Dang, Qin-Qin; Zhang, Xian-Ming","Reversible single-crystal-to-single-crystal transformation from a mononuclear complex to a fourfold interpenetrated MOF with selective adsorption of CO2.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19796","19799","10.1039/c5dt03570h","","","0.71073","MoKα","","0.1076","0.0787","","","0.1649","0.1842","","","","","","1.061","","","","has coordinates","171137","2020-10-21","18:00:00",""
"7037005","13.0574","0.0005","9.9328","0.0004","17.5051","0.0006","90","","90","","90","","2270.35","0.15","293","","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Liu, Min-Min; Bi, Yan-Lin; Dang, Qin-Qin; Zhang, Xian-Ming","Reversible single-crystal-to-single-crystal transformation from a mononuclear complex to a fourfold interpenetrated MOF with selective adsorption of CO2.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19796","19799","10.1039/c5dt03570h","","","0.71073","MoKα","","0.0667","0.0423","","","0.1198","0.1292","","","","","","1.062","","","","has coordinates","171137","2020-10-21","18:00:00",""
"7037006","7.0809","0.0001","38.7664","0.0004","39.2286","0.0004","90","","90","","90","","10768.3","0.2","123","2","123.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H16 Al2 Cl6 N4 -","- C20 H16 Al2 Cl6 N4 -","- C320 H256 Al32 Cl96 N64 -","16","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0677","0.0675","","","0.1815","0.1817","","","","","","1.098","","","","has coordinates,has disorder","171240","2020-10-21","18:00:00",""
"7037007","13.20393","0.00012","22.343","0.0002","18.0609","0.00016","90","","90.1528","0.0008","90","","5328.22","0.08","123","0.14","123","0.14","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 Al2 Br6 N4 -","- C20 H16 Al2 Br6 N4 -","- C160 H128 Al16 Br48 N32 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","x-ray","1.54184","CuKα","","0.0266","0.026","","","0.0649","0.0653","","","","","","1.16","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037008","13.5618","0.0004","19.8375","0.0007","9.1922","0.0003","90","","90","","90","","2473","0.14","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H8 Cl3 Ga N2 -","- C10 H8 Cl3 Ga N2 -","- C80 H64 Cl24 Ga8 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0296","0.0288","","","0.0764","0.0772","","","","","","1.117","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037009","22.3192","0.0002","22.5024","0.0002","13.2242","0.0001","90","","125.823","0.001","90","","5385.25","0.1","123","2","123.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br6 Ga2 N4 -","- C20 H16 Br6 Ga2 N4 -","- C160 H128 Br48 Ga16 N32 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","x-ray","1.54178","CuKα","","0.047","0.0321","","","0.0713","0.0735","","","","","","0.901","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037010","16.3472","0.0001","15.8805","0.0001","16.0853","0.0001","90","","90","","90","","4175.77","0.04","123","2","123.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H32 Cl6 Ga2 N8 -","- C40 H32 Cl6 Ga2 N8 -","- C160 H128 Cl24 Ga8 N32 -","4","0.5","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0281","0.0258","","","0.0713","0.0734","","","","","","1.045","","","","has coordinates,has disorder","171240","2020-10-21","18:00:00",""
"7037011","15.5509","0.0002","11.952","0.0001","18.5778","0.0003","90","","90","","90","","3452.95","0.08","123","2","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Al2 Cl6 N2 -","- C10 H8 Al2 Cl6 N2 -","- C80 H64 Al16 Cl48 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0358","0.0303","","","0.0744","0.0805","","","","","","1.084","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037012","15.5909","0.0007","11.9714","0.0006","18.6015","0.0008","90","","90","","90","","3471.9","0.3","123.05","0.1","123.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl6 Ga2 N2 -","- C10 H8 Cl6 Ga2 N2 -","- C80 H64 Cl48 Ga16 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","0.71073","MoKα","","0.0403","0.028","","","0.0522","0.0559","","","","","","1.033","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037013","15.581","0.005","11.971","0.005","18.613","0.005","90","","90","","90","","3472","2","423","2","423.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Al1.1 Cl6 Ga0.9 N2 -","- C10 H8 Al1.1 Cl6 Ga0.9 N2 -","- C80 H64 Al8.8 Cl48 Ga7.2 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","0.71073","MoKα","","0.0391","0.0272","","","0.0662","0.0689","","","","","","0.948","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037014","9.8192","0.0004","16.4152","0.0005","12.4071","0.0004","90","","101.58","0.004","90","","1959.12","0.12","192.9","","192.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Al2 Br6 N2 -","- C10 H8 Al2 Br6 N2 -","- C40 H32 Al8 Br24 N8 -","4","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0869","0.0659","","","0.1726","0.1953","","","","","","1.056","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037015","9.7936","0.0001","16.3623","0.0002","12.3274","0.0002","90","","101.726","0.002","90","","1934.19","0.05","123","2","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br6 Ga2 N2 -","- C10 H8 Br6 Ga2 N2 -","- C40 H32 Br24 Ga8 N8 -","4","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0509","0.0437","","","0.1193","0.1247","","","","","","1.067","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037016","9.7971","0.0002","16.3329","0.0003","12.3295","0.0003","90","","101.699","0.002","90","","1931.92","0.07","123.15","","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Al1.1 Br6 Ga0.9 N2 -","- C10 H8 Al1.1 Br6 Ga0.9 N2 -","- C40 H32 Al4.4 Br24 Ga3.6 N8 -","4","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54184","CuKα","","0.0397","0.0315","","","0.0783","0.0798","","","","","","0.956","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037017","4.1691","0.0009","4.1691","0.0009","81.965","0.017","90","","90","","120","","1233.8","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","samarium manganese zinc arsenide (5.3/0.6/3.4/8)","samarium manganese zinc arsenide (5.3/0.6/3.4/8)","","- As8 Mn0.57 Sm5.33 Zn3.43 -","- As8 Mn0.58 Sm5.332 Zn3.42 -","- As24 Mn1.74 Sm15.996 Zn10.26 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0337","0.0247","","","0.0495","0.0529","","","","","","1.11","","","","has coordinates","171117","2020-10-21","18:00:00",""
"7037018","4.2038","0.0011","4.2038","0.0011","82.97","0.02","90","","90","","120","","1269.8","0.6","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","neodymium zinc arsenide (5.4/4/8)","neodymium zinc arsenide (5.4/4/8)","","- As8 Nd5.43 Zn4 -","- As8 Nd5.429 Zn4 -","- As24 Nd16.287 Zn12 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0659","0.0395","","","0.0848","0.0935","","","","","","1.077","","","","has coordinates","171117","2020-10-21","18:00:00",""
"7037019","4.1703","0.0006","4.1703","0.0006","23.981","0.003","90","","90","","120","","361.19","0.09","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","samarium zinc arsenide (4.4/4/7)","samarium zinc arsenide (4.4/4/7)","","- As7 Sm4.4 Zn4 -","- As7 Sm4.385 Zn4 -","- As7 Sm4.385 Zn4 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0359","0.0281","","","0.0634","0.0668","","","","","","1.106","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037020","4.1788","0.0007","4.1788","0.0007","61.727","0.01","90","","90","","120","","933.5","0.3","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","neodymium manganese zinc arsenide (3.3/0.9/3.1/6)","neodymium manganese zinc arsenide (3.3/0.9/3.1/6)","","- As6 Mn0.93 Nd3.33 Zn3.07 -","- As6 Mn0.918 Nd3.339 Zn3.084 -","- As18 Mn2.754 Nd10.017 Zn9.252 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0378","0.0258","","","0.0523","0.0563","","","","","","1.08","","","","has coordinates","171117","2020-10-21","18:00:00",""
"7037021","4.1689","0.0004","4.1689","0.0004","82.103","0.009","90","","90","","120","","1235.8","0.2","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","samarium zinc arsenide (5.4/4/8)","samarium zinc arsenide (5.4/4/8)","","- As8 Sm5.4 Zn4 -","- As8 Sm5.4 Zn4 -","- As24 Sm16.2 Zn12 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0341","0.0255","","","0.0495","0.0531","","","","","","1.121","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037022","4.218","0.003","4.218","0.003","62.11","0.04","90","","90","","120","","957","1.1","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","cerium manganese zinc arsenide (3.3/1.1/2.9/6)","cerium manganese zinc arsenide (3.3/1.1/2.9/6)","","- As6 Ce3.3 Mn1.07 Zn2.93 -","- As6 Ce3.323 Mn1.058 Zn2.942 -","- As18 Ce9.969 Mn3.174 Zn8.826 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0575","0.0325","","","0.0522","0.0583","","","","","","1.064","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037023","4.1398","0.0012","4.1398","0.0012","81.17","0.02","90","","90","","120","","1204.7","0.6","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","gadolinium manganese zinc arsenide (5.3/0.6/3.4/8)","gadolinium manganese zinc arsenide (5.3/0.6/3.4/8)","","- As8 Gd5.27 Mn0.62 Zn3.38 -","- As8 Gd5.271 Mn0.616 Zn3.384 -","- As24 Gd15.813 Mn1.848 Zn10.152 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0459","0.0332","","","0.0823","0.0878","","","","","","1.091","","","","has coordinates","171117","2020-10-21","18:00:00",""
"7037024","4.197","0.003","4.197","0.003","24.204","0.015","90","","90","","120","","369.2","0.4","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","neodymium zinc arsenide (4.4/4/7)","neodymium zinc arsenide (4.4/4/7)","","- As7 Nd4.4 Zn4 -","- As7 Nd4.41 Zn4 -","- As7 Nd4.41 Zn4 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0454","0.0292","","","0.0477","0.0513","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037025","4.2067","0.0007","4.2067","0.0007","62.637","0.01","90","","90","","120","","959.9","0.3","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","praseodymium zinc arsenide (3.4/4/6)","praseodymium zinc arsenide (3.4/4/6)","","- As6 Pr3.45 Zn4 -","- As6 Pr3.461 Zn4 -","- As18 Pr10.383 Zn12 -","3","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Mar, Arthur","Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20254","20264","10.1039/c5dt03596a","","","0.71073","MoKα","","0.0252","0.0208","","","0.0433","0.0449","","","","","","1.156","","","","has coordinates","171117","2020-10-21","18:00:00",""
"7037026","7.1047","0.0009","8.6047","0.0011","15.5783","0.0019","84.887","0.001","79.225","0.001","89.47","0.001","931.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 N7 O3 Re -","- C19 H12 N7 O3 Re -","- C38 H24 N14 O6 Re2 -","2","1","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.0392","0.0314","","","0.0739","0.0765","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037027","21.5431","0.0008","9.355","0.0004","23.299","0.0009","90","","90","","90","","4695.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H14 Cl2 N7 O3 Re -","- C22 H14 Cl2 N7 O3 Re -","- C176 H112 Cl16 N56 O24 Re8 -","8","1","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.0408","0.0239","","","0.0485","0.0558","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037028","9.9769","0.0007","21.4246","0.0015","22.3643","0.0014","90","","90","","90","","4780.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H15 Cl N7 O3 Re -","- C25.5 H15 Cl N7 O3 Re -","- C204 H120 Cl8 N56 O24 Re8 -","8","2","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.042","0.0301","","","0.0532","0.0574","","","","","","1.024","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037029","13.358","0.003","13.894","0.003","17.428","0.004","73.596","0.003","89.985","0.003","79.009","0.003","3041.1","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H60 B Cu F4 N7 O6 P2 Re -","- C63 H60 B Cu F4 N7 O6 P2 Re -","- C126 H120 B2 Cu2 F8 N14 O12 P4 Re2 -","2","1","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.0821","0.0637","","","0.1592","0.1692","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037030","19.7532","0.0012","21.2407","0.0013","21.6526","0.0013","73.361","0.003","89.462","0.004","86.973","0.004","8692.1","0.9","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C60.67 H45.33 B Cl3.33 Cu F4 N7 O4 P2 Re -","- C60.6667 H45.3333 B Cl3.33333 Cu F4 N7 O4 P2 Re -","- C364 H272 B6 Cl20 Cu6 F24 N42 O24 P12 Re6 -","6","3","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.1187","0.0743","","","0.1864","0.2212","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037031","10.1763","0.0005","20.8369","0.0004","10.3782","0.0003","90","","110.147","0.004","90","","2065.97","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl3 N2 O4 Re S -","- C18 H14 Cl3 N2 O4 Re S -","- C72 H56 Cl12 N8 O16 Re4 S4 -","4","1","","Werrett, Melissa V.; Wright, Phillip J.; Simpson, Peter V.; Raiteri, Paolo; Skelton, Brian W.; Stagni, Stefano; Buckley, Alysia G.; Rigby, Paul J.; Massi, Massimiliano","Rhenium tetrazolato complexes coordinated to thioalkyl-functionalised phenanthroline ligands: synthesis, photophysical characterisation, and incubation in live HeLa cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20636","20647","10.1039/c5dt03470a","","","0.71073","MoKα","","0.0497","0.0383","","","0.0679","0.071","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037032","11.5291","0.0011","13.1863","0.0012","16.323","0.002","90.45","0.008","92.944","0.008","110.77","0.009","2316.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl N2 O7 Re S -","- C22 H20 Cl N2 O7 Re S -","- C88 H80 Cl4 N8 O28 Re4 S4 -","4","2","","Werrett, Melissa V.; Wright, Phillip J.; Simpson, Peter V.; Raiteri, Paolo; Skelton, Brian W.; Stagni, Stefano; Buckley, Alysia G.; Rigby, Paul J.; Massi, Massimiliano","Rhenium tetrazolato complexes coordinated to thioalkyl-functionalised phenanthroline ligands: synthesis, photophysical characterisation, and incubation in live HeLa cells.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20636","20647","10.1039/c5dt03470a","","","1.54178","CuKα","","0.0569","0.0466","","","0.1131","0.1229","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037038","13.9412","0.0003","20.1005","0.0006","25.5295","0.0008","90","","90","","90","","7154","0.3","250","0.1","250","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1a(250 K)","1032872","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.0797","0.059","","","0.1572","0.1764","","","","","","1.031","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037039","13.8634","0.0004","20.0412","0.0005","25.3447","0.0008","90","","90","","90","","7041.8","0.3","180.01","0.1","180.01","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1a(180 K)","1032876","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.0795","0.0658","","","0.1688","0.1806","","","","","","1.034","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037040","13.808","0.0007","19.7339","0.0009","25.0603","0.0012","90","","92.395","0.005","90","","6822.6","0.6","100.01","0.1","100.15","","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","1a(100 K)","1032884","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","2","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.1918","0.1769","","","0.4129","0.4202","","","","","","1.169","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7037041","16.9258","0.0004","19.0959","0.0005","22.9024","0.0005","90","","90","","90","","7402.4","0.3","100.1","0.3","100.1","0.3","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1b(100 K)","1032885","","- C32 H41 Cl2 Fe N7 O12 -","- C32 H41 Cl2 Fe N7 O12 -","- C256 H328 Cl16 Fe8 N56 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.057","0.0397","","","0.0909","0.1013","","","","","","1.042","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037042","13.909","0.003","20.024","0.004","25.221","0.005","90","","91.79","0.03","90","","7021","2","173.15","","173.15","","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","1a(173 K)","1410363","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","2","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.1918","0.1582","","","0.4041","0.4351","","","","","","1.359","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7037043","13.0805","0.0004","25.5412","0.0009","19.3453","0.0007","90","","104.735","0.002","90","","6250.5","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 Cd2 N8 O12 S2 -","- C52 H36 Cd2 N8 O12 S2 -","- C208 H144 Cd8 N32 O48 S8 -","4","1","","Parshamoni, Srinivasulu; Telangae, Jyothi; Konar, Sanjit","Regulation of the pore size by shifting the coordination sites of ligands in two MOFs: enhancement of CO2 uptake and selective sensing of nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20926","20935","10.1039/c5dt01976a","","","0.71073","MoKα","","0.0698","0.0381","","","0.064","0.0705","","","","","","0.89","","","","has coordinates","171152","2020-10-21","18:00:00",""
"7037044","14.737","0.002","15.301","0.002","15.801","0.002","114.001","0.009","96.223","0.01","116.157","0.009","2735.8","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Cd2 N8 O12 S2 -","- C53 H40 Cd2 N8 O12 S2 -","- C106 H80 Cd4 N16 O24 S4 -","2","1","","Parshamoni, Srinivasulu; Telangae, Jyothi; Konar, Sanjit","Regulation of the pore size by shifting the coordination sites of ligands in two MOFs: enhancement of CO2 uptake and selective sensing of nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20926","20935","10.1039/c5dt01976a","","","0.71073","MoKα","","0.1372","0.0879","","","0.1984","0.2301","","","","","","1.032","","","","has coordinates","171152","2020-10-21","18:00:00",""
"7037047","16.6781","0.0008","8.5263","0.0004","19.8071","0.0009","90","","90","","90","","2816.6","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 Cu Fe I P2 -","- C26 H44 Cu Fe I P2 -","- C104 H176 Cu4 Fe4 I4 P8 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H activation and carboxylation of terminal alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20874","20882","10.1039/c5dt03794h","","","0.71073","MoKα","","0.043","0.0293","","","0.0452","0.0483","","","","","","0.988","","","","has coordinates","171141","2020-10-21","18:00:00",""
"7037048","11.0201","0.0006","11.8953","0.0007","14.7688","0.0009","107.37","0.003","93.23","0.003","105.503","0.003","1760.87","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H94 Cu6 Fe2 I6 N2 P4 -","- C56 H94 Cu6 Fe2 I6 N2 P4 -","- C56 H94 Cu6 Fe2 I6 N2 P4 -","1","0.5","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H activation and carboxylation of terminal alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20874","20882","10.1039/c5dt03794h","","","0.71073","MoKα","","0.0495","0.0366","","","0.087","0.0939","","","","","","1.004","","","","has coordinates,has disorder","171141","2020-10-21","18:00:00",""
"7037049","17.9019","0.0005","35.9438","0.0011","26.0511","0.0009","90","","103.454","0.0019","90","","16302.9","0.9","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.89 As3 Na15.5 O164.47 U6 W27 -","- C3.88 As3 Na15.5 O164.47 U6 W27 -","- C15.52 As12 Na62 O657.88 U24 W108 -","4","1","","Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry","B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19772","19776","10.1039/c5dt02932e","","","0.71073","MoKα","","0.0996","0.0651","","","0.1309","0.1455","","","","","","1.097","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037050","13.7846","0.0008","31.0033","0.0014","17.7568","0.0008","90","","91.543","0.003","90","","7585.9","0.7","100","","100.03","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As3 Na15 O169 U6 W27 -","- As3 Na15 O169 U6 W27 -","- As6 Na30 O338 U12 W54 -","2","0.5","","Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry","B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19772","19776","10.1039/c5dt02932e","","","0.71073","MoKα","","0.0696","0.038","","","0.0798","0.0934","","","","","","1.066","","","","has coordinates,has disorder","171134","2020-10-21","18:00:00",""
"7037051","38.6891","0.0008","38.6891","0.0008","38.6891","0.0008","90","","90","","90","","57912","2","100","2","100.01","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- As4 Na12 O198 U6 W36 -","- As4 Na12 O198 U6 W36 -","- As32 Na96 O1584 U48 W288 -","8","0.0833333","","Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry","B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19772","19776","10.1039/c5dt02932e","","","0.71073","MoKα","","0.0558","0.0385","","","0.0894","0.1001","","","","","","1.052","","","","has coordinates","291143","2024-04-09","08:48:29",""
"7037052","16.407","0.003","9.768","0.002","23.226","0.005","90","","90.32","0.03","90","","3722.2","1.3","100","2","100","2","","","","","","","","4","I 2/c 1 1","-I 2yc","15","","","","- C36 H26 Fe N28 -","- C36 H26 Fe N28 -","- C144 H104 Fe4 N112 -","4","0.5","","Gentili, Denis; Liscio, Fabiola; Demitri, Nicola; Schäfer, Bernhard; Borgatti, Francesco; Torelli, Piero; Gobaut, Benoit; Panaccione, Giancarlo; Rossi, Giorgio; Degli Esposti, Alessandra; Gazzano, Massimo; Milita, Silvia; Bergenti, Ilaria; Ruani, Giampiero; Šalitroš, Ivan; Ruben, Mario; Cavallini, Massimiliano","Surface induces different crystal structures in a room temperature switchable spin crossover compound.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","134","143","10.1039/c5dt03712c","","","0.8","Synchrotron","","0.0532","0.0423","","","0.1096","0.1175","","","","","","1.024","","","","has coordinates","176116","2020-10-21","18:00:00",""
"7037053","4.0847","0.0001","4.0847","0.0001","5.8295","0.0002","90","","90","","90","","97.264","0.005","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Lanthanum Oxide Fluoride - Alpha","","- F La O -","- F La O -","- F2 La2 O2 -","2","0.125","","Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe","Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20675","20684","10.1039/c5dt04028k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037054","4.053","","4.053","","20.22","","90","","90","","120","","287.65","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lanthanum Oxide Fluoride","","- F3 La3 O3 -","- F3 La3 O3 -","- F6 La6 O6 -","2","0.0555556","","Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe","Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20675","20684","10.1039/c5dt04028k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037056","9.73","0.006","11.344","0.007","13.051","0.008","90","","96.115","0.009","90","","1432.3","1.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl4 N2 Si2 -","- C24 H34 Cl4 N2 Si2 -","- C48 H68 Cl8 N4 Si4 -","2","0.5","","Cui, Haiyan; Cui, Chunming","Base-stabilized silaimine and its donor-free dimer derived from the reaction of NHC-supported silylene with SiCl4.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20326","20329","10.1039/c5dt03917g","","","0.71073","MoKα","","0.0476","0.0343","","","0.0791","0.0818","","","","","","0.923","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037057","9.49","0.004","14.842","0.006","21.882","0.009","90","","91.321","0.007","90","","3081","2","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Cl2 N3 Si -","- C30 H45 Cl2 N3 Si -","- C120 H180 Cl8 N12 Si4 -","4","1","","Cui, Haiyan; Cui, Chunming","Base-stabilized silaimine and its donor-free dimer derived from the reaction of NHC-supported silylene with SiCl4.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20326","20329","10.1039/c5dt03917g","","","0.71073","MoKα","","0.0825","0.0656","","","0.1669","0.1781","","","","","","1.073","","","","has coordinates,has disorder","171251","2020-10-21","18:00:00",""
"7037058","11.9596","0.0004","12.7252","0.0005","13.7959","0.0004","90","","90.003","0.003","90","","2099.57","0.12","100.19","0.1","100.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O -","- C30 H22 O -","- C120 H88 O4 -","4","1","","Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg","Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20056","20066","10.1039/c5dt03279b","","","0.71073","MoKα","","0.0654","0.0533","","","0.1178","0.1245","","","","","","1.068","","","","has coordinates","171124","2020-10-21","18:00:00",""
"7037059","10.2096","0.0004","10.4182","0.0003","22.8395","0.0007","81.261","0.002","88.908","0.003","66.905","0.003","2206.5","0.14","106.06","0.1","106.06","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S -","- C30 H22 S -","- C120 H88 S4 -","4","2","","Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg","Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20056","20066","10.1039/c5dt03279b","","","0.71073","MoKα","","0.072","0.0599","","","0.145","0.1524","","","","","","1.076","","","","has coordinates","171124","2020-10-21","18:00:00",""
"7037060","21.697","0.0018","5.3193","0.0004","20.3682","0.0017","90","","111.22","0.001","90","","2191.4","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C120 H88 S8 -","4","0.5","","Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg","Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20056","20066","10.1039/c5dt03279b","","","0.71073","MoKα","","0.0421","0.0376","","","0.0969","0.1008","","","","","","1.048","","","","has coordinates","171124","2020-10-21","18:00:00",""
"7037061","9.6848","0.0011","13.0667","0.0015","34.253","0.004","90","","95.427","0.002","90","","4315.2","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 Ni O3 P -","- C56 H53 Ni O3 P -","- C224 H212 Ni4 O12 P4 -","4","1","","Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg","Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20056","20066","10.1039/c5dt03279b","","","0.71073","MoKα","","0.0705","0.0488","","","0.1234","0.1393","","","","","","0.946","","","","has coordinates,has disorder","171124","2020-10-21","18:00:00",""
"7037062","13.5009","0.0016","16.904","0.002","19.606","0.002","90","","105.926","0.002","90","","4302.7","0.8","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 F3 N2 O3 Rh S2 -","- C41 H30 F3 N2 O3 Rh S2 -","- C164 H120 F12 N8 O12 Rh4 S8 -","4","1","","Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg","Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20056","20066","10.1039/c5dt03279b","","","0.71073","MoKα","","0.0978","0.05","","","0.1196","0.1405","","","","","","1.011","","","","has coordinates","171124","2020-10-21","18:00:00",""
"7037063","19.9204","0.0003","14.382","0.0002","18.9519","0.0002","90","","90","","90","","5429.63","0.13","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H21 B F10 N -","- C32 H21 B F10 N -","- C256 H168 B8 F80 N8 -","8","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0651","0.0463","","","0.0982","0.1089","","","","","","1.086","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037064","10.3766","0.0002","17.8561","0.0004","15.0102","0.0004","90","","106.596","0.001","90","","2665.32","0.11","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H22 B F10 N -","- C29 H22 B F10 N -","- C116 H88 B4 F40 N4 -","4","2","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","1.54178","CuKα","","0.04","0.0319","","","0.0694","0.0731","","","","","","1.035","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037065","14.5937","0.0004","15.5767","0.0005","15.1672","0.0004","90","","109.289","0.001","90","","3254.29","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 B F10 N2 -","- C37 H29 B F10 N2 -","- C148 H116 B4 F40 N8 -","4","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","1.54178","CuKα","","0.0467","0.0415","","","0.1071","0.1111","","","","","","1.023","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037066","10.6418","0.0003","17.755","0.0004","16.8933","0.0004","90","","93.934","0.001","90","","3184.39","0.14","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F10 Li N -","- C33 H31 B F10 Li N -","- C132 H124 B4 F40 Li4 N4 -","4","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.1509","0.0873","","","0.141","0.1739","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037067","9.8291","0.0003","27.4015","0.0007","18.7176","0.0006","90","","100.517","0.001","90","","4956.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 B F10 N P2 -","- C60 H42 B F10 N P2 -","- C240 H168 B4 F40 N4 P8 -","4","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0563","0.041","","","0.0842","0.0901","","","","","","1.077","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037068","10.4396","0.0004","10.5005","0.0004","19.6063","0.0007","91.665","0.002","101.678","0.002","111.232","0.002","1949.53","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H21 B2 F20 Li -","- C43 H21 B2 F20 Li -","- C86 H42 B4 F40 Li2 -","2","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","1.54178","CuKα","","0.0687","0.0471","","","0.1163","0.1274","","","","","","1.044","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037069","12.1842","0.0002","13.8403","0.0002","14.1877","0.0003","95.871","0.001","108.906","0.001","105.653","0.002","2131.71","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 B F10 Li N O -","- C48 H43 B F10 Li N O -","- C96 H86 B2 F20 Li2 N2 O2 -","2","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.1002","0.0724","","","0.1383","0.158","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037070","13.863","0.0006","14.0401","0.0006","15.2449","0.0005","90.695","0.001","110.337","0.001","116.501","0.001","2440","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 B F13 Li N O -","- C56 H50 B F13 Li N O -","- C112 H100 B2 F26 Li2 N2 O2 -","2","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0756","0.049","","","0.105","0.1165","","","","","","1.04","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037071","12.0328","0.0004","14.7766","0.0005","20.8614","0.0008","90","","90","","90","","3709.2","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 B F10 Li N O -","- C42 H39 B F10 Li N O -","- C168 H156 B4 F40 Li4 N4 O4 -","4","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0436","0.0351","","","0.0789","0.0832","","","","","","1.077","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037072","15.843","0.002","20.18","0.003","26.004","0.003","90","","91.68","0.002","90","","8310.2","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H121 Fe8 N5 O35 -","- C62 H121 Fe8 N5 O35 -","- C248 H484 Fe32 N20 O140 -","4","1","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.1085","0.0591","","","0.1423","0.1774","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037073","24.088","0.0001","24.088","0.0001","24.088","0.0001","90","","90","","90","","13976.6","0.1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C48 H93 Fe8 N13 O27 -","- C48 H93 Fe8 N13 O27 -","- C384 H744 Fe64 N104 O216 -","8","0.333333","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.0533","0.0355","","","0.09","0.1","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037074","13.2984","0.0006","20.6844","0.0009","29.1684","0.0012","79.57","0.001","80.06","0.001","86.16","0.001","7767","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H216 Fe16 N26 O55 -","- C110 H216 Fe16 N26 O55 -","- C220 H432 Fe32 N52 O110 -","2","1","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.0603","0.0429","","","0.0944","0.1049","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037075","13.616","0.005","14.653","0.005","18.767","0.006","97.8","0.005","101.667","0.005","114.859","0.005","3222.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 Fe8 N12 O24 -","- C42 H84 Fe8 N12 O24 -","- C84 H168 Fe16 N24 O48 -","2","1","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.0779","0.0457","","","0.106","0.1219","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037076","11.9901","0.0007","14.0481","0.0008","14.8372","0.0008","76.891","0.001","70.477","0.001","71.267","0.001","2210.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H58 Fe3 N3 O21 -","- C28 H58 Fe3 N3 O21 -","- C56 H116 Fe6 N6 O42 -","2","1","","Botezat, Olga; van Leusen, Jan; Ch Kravtsov, Victor; Ellern, Arkady; Kögerler, Paul; Baca, Svetlana G.","Iron(iii) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe8 cores: approaching reasonable exchange energies.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20753","20762","10.1039/c5dt03024b","","","0.71073","MoKα","","0.0457","0.0399","","","0.104","0.1061","","","","","","1.006","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037077","9.264","0.003","14.163","0.004","25.885","0.008","90","","96.454","0.004","90","","3374.7","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(Cu+(14aneNSNS)] PF6 -","","- C10 H22 Cu F6 N2 P S2 -","- C10 H22 Cu F6 N2 P S2 -","- C80 H176 Cu8 F48 N16 P8 S16 -","8","2","","Walker, Tia L.; Mula, Sam; Malasi, Wilhelm; Engle, James T.; Ziegler, Christopher J.; van der Est, Art; Modarelli, Jody; Taschner, Michael J.","Blue copper protein analogue: synthesis and characterization of copper complexes of the N2S2 macrocycle 1,8-dithia-4,11-diazacyclotetradecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20200","20206","10.1039/c5dt03389f","","","0.71073","MoKα","","0.0909","0.078","","","0.1989","0.2117","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037078","6.944","0.003","8.158","0.003","9.443","0.004","98.389","0.004","111.364","0.003","110.445","0.004","443.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(Cu2+(14aneNSNS)] ClO4 -","","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","- C10 H22 Cl2 Cu N2 O8 S2 -","1","0.5","","Walker, Tia L.; Mula, Sam; Malasi, Wilhelm; Engle, James T.; Ziegler, Christopher J.; van der Est, Art; Modarelli, Jody; Taschner, Michael J.","Blue copper protein analogue: synthesis and characterization of copper complexes of the N2S2 macrocycle 1,8-dithia-4,11-diazacyclotetradecane.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20200","20206","10.1039/c5dt03389f","","","0.71073","MoKα","","0.0277","0.0274","","","0.094","0.095","","","","","","0.839","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037088","14.5257","0.0016","16.4162","0.0018","31.249","0.003","90","","90","","90","","7451.5","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Corrole-BODIPY dyads","Corrole-BODIPY Hybrid","","- C85 H57 B2 F19 Ga N11 -","- C85 H57 B2 F19 Ga N11 -","- C340 H228 B8 F76 Ga4 N44 -","4","1","","Basumatary, Biju; Ramana Reddy, R. V.; Bhandary, Subhrajyoti; Sankar, Jeyaraman","Gallium(iii)corrole-BODIPY hybrid: novel photophysical properties and first observation of B-FF interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20817","20821","10.1039/c5dt03104d","","","0.71073","MoKα","","0.1067","0.068","","","0.157","0.1761","","","","","","1.043","","","","has coordinates","171148","2020-10-21","18:00:00",""
"7037089","16.26","0.006","17.452","0.006","29.954","0.009","90","","97.616","0.011","90","","8425","5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Corrole-BODIPY Diad","Corrole-BODIPY Hybrid","","- C91 H66 B2 F19 Ga N13 -","- C91 H66 B2 F19 Ga N13 -","- C364 H264 B8 F76 Ga4 N52 -","4","1","","Basumatary, Biju; Ramana Reddy, R. V.; Bhandary, Subhrajyoti; Sankar, Jeyaraman","Gallium(iii)corrole-BODIPY hybrid: novel photophysical properties and first observation of B-FF interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20817","20821","10.1039/c5dt03104d","","","0.71073","MoKα","","0.0957","0.0658","","","0.1629","0.1815","","","","","","1.05","","","","has coordinates","171148","2020-10-21","18:00:00",""
"7037090","8.197","0.002","18.032","0.005","12.981","0.004","90","","104.558","0.005","90","","1857.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N2 O6 -","- C17 H18 Cd N2 O6 -","- C68 H72 Cd4 N8 O24 -","4","1","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0424","0.0351","","","0.0914","0.0954","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037091","9.351","0.0005","12.0189","0.0007","16.2548","0.0006","78.851","0.004","84.234","0.004","74.569","0.005","1725.44","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C60 H60 Cd2 N8 O18 -","2","1","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0818","0.0704","","","0.1982","0.2122","","","","","","1.052","","","","has coordinates","176000","2020-10-21","18:00:00",""
"7037092","13.4668","0.0004","14.3053","0.0003","21.8218","0.0005","90","","93.302","0.002","90","","4196.92","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cd2 N5 O17 -","- C32 H38 Cd2 N5 O17 -","- C128 H152 Cd8 N20 O68 -","4","1","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0761","0.0591","","","0.1731","0.1888","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037093","21.9308","0.001","11.2167","0.0004","24.9201","0.0011","90","","97.612","0.004","90","","6076.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Cd2 N8 O11 -","- C60 H64 Cd2 N8 O11 -","- C240 H256 Cd8 N32 O44 -","4","0.5","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0904","0.074","","","0.2194","0.239","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037094","20.6271","0.0008","13.6669","0.0006","20.6839","0.0009","90","","90","","90","","5831","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C49 H54 Cd2 N6 O18 -","- C49 H54 Cd2 N6 O18 -","- C196 H216 Cd8 N24 O72 -","4","0.5","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0495","0.0393","","","0.1008","0.1107","","","","","","0.917","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037095","15.2083","0.0005","9.1886","0.0003","27.5808","0.0008","90","","93.94","0.003","90","","3845.1","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H48 Cd2 N4 O10 -","- C38 H48 Cd2 N4 O10 -","- C152 H192 Cd8 N16 O40 -","4","1","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.046","0.0309","","","0.0671","0.0747","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037096","16.592","0.002","18.655","0.002","19.067","0.002","103.219","0.007","98.581","0.007","109.095","0.008","5265.8","1.1","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H156 Li4 N4 O7 -","- C96 H148 Li4 N4 O7 -","- C192 H296 Li8 N8 O14 -","2","1","","Alhashmialameer, Dalal; Ikpo, Nduka; Collins, Julie; Dawe, Louise N.; Hattenhauer, Karen; Kerton, Francesca M.","Ring-opening polymerization of rac-lactide mediated by tetrametallic lithium and sodium diamino-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20216","20231","10.1039/c5dt03119b","","","0.71075","MoKα","","0.1462","0.113","","","0.3441","0.3597","","","","","","1.06","","","","has coordinates,has disorder","171136","2020-10-21","18:00:00",""
"7037097","12.898","0.004","13.741","0.004","18.695","0.006","90","","101.518","0.004","90","","3246.6","1.7","163","","163","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H100 N4 Na4 O6 -","- C66 H100 N4 Na4 O6 -","- C132 H200 N8 Na8 O12 -","2","0.5","","Alhashmialameer, Dalal; Ikpo, Nduka; Collins, Julie; Dawe, Louise N.; Hattenhauer, Karen; Kerton, Francesca M.","Ring-opening polymerization of rac-lactide mediated by tetrametallic lithium and sodium diamino-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20216","20231","10.1039/c5dt03119b","","","0.71075","MoKα","","0.0604","0.0543","","","0.158","0.1653","","","","","","1.084","","","","has coordinates","171136","2020-10-21","18:00:00",""
"7037098","8.84","0.005","17.934","0.005","10.458","0.005","90","0.005","98.701","0.005","90","0.005","1638.9","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd Cl2 N8 O8 -","- C28 H28 Cd Cl2 N8 O8 -","- C56 H56 Cd2 Cl4 N16 O16 -","2","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Halder, Arijit; Ghoshal, Debajyoti","Tuned synthesis of two coordination polymers of Cd(ii) using substituted bent 3-pyridyl linker and succinate: structures and their applications in anion exchange and sorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20999","21007","10.1039/c5dt03738g","","","0.71073","MoKα","","0.0488","0.0387","","","0.1024","0.1087","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037099","7.087","0.005","17.669","0.005","17.793","0.005","90","0.005","90","0.005","90","0.005","2228","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H24 Cd N4 O8 -","- C18 H24 Cd N4 O8 -","- C72 H96 Cd4 N16 O32 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Halder, Arijit; Ghoshal, Debajyoti","Tuned synthesis of two coordination polymers of Cd(ii) using substituted bent 3-pyridyl linker and succinate: structures and their applications in anion exchange and sorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20999","21007","10.1039/c5dt03738g","","","0.71073","MoKα","","0.0227","0.0204","","","0.0564","0.0578","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037100","13.344","0.006","16.175","0.008","16.597","0.008","91.652","0.006","105.727","0.006","93.025","0.006","3440","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 Cu6 F N18 O2 -","- C63 H53 Cu6 F N18 O2 -","- C126 H106 Cu12 F2 N36 O4 -","2","1","","Mathivathanan, Logesh; Al-Ameed, Karrar; Lazarou, Katerina; Trávníček, Zdeněk; Sanakis, Yiannis; Herchel, Radovan; McGrady, John E.; Raptis, Raphael G.","A trigonal prismatic Cu6-pyrazolato complex containing a μ6-F ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20685","20691","10.1039/c5dt03892h","","","0.71073","MoKα","","0.1337","0.0653","","","0.1654","0.1897","","","","","","0.817","","","","has coordinates,has disorder","171261","2020-10-21","18:00:00",""
"7037101","14.3054","0.0004","14.7076","0.0004","17.1296","0.0004","66.248","0.002","88.795","0.002","84.011","0.002","3279.89","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H99.5 La4 Mn8 N8.5 O51.5 -","- C117 H94 La4 Mn8 N8 O51 -","- C117 H94 La4 Mn8 N8 O51 -","1","0.5","","Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng","Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20964","20971","10.1039/c5dt03130c","","","0.71073","MoKα","","0.0621","0.0475","","","0.1192","0.1273","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037102","14.3358","0.0004","14.6448","0.0002","17.0596","0.0004","66.305","0.002","88.319","0.002","84.0997","0.0017","3261.98","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H99.5 Mn8 N8.5 O51.5 Pr4 -","- C117 H94 Mn8 N8 O51 Pr4 -","- C117 H94 Mn8 N8 O51 Pr4 -","1","0.5","","Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng","Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20964","20971","10.1039/c5dt03130c","","","0.71073","MoKα","","0.0487","0.0403","","","0.1038","0.1086","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037103","9.5282","0.0016","15.355","0.003","20.655","0.004","90","","90.146","0.007","90","","3021.9","1","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(R)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}-nickel(II)","","- C38 H32 N2 Ni O2 -","- C38 H32 N2 Ni O2 -","- C152 H128 N8 Ni4 O8 -","4","2","","Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph","Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","667","680","10.1039/c5dt03940a","","","0.71073","MoKα","","0.0678","0.0494","","","0.0943","0.1016","","","","","","0.991","","","","has coordinates","175991","2020-10-21","18:00:00",""
"7037104","9.5328","0.0009","15.297","0.0016","20.56","0.002","90","","90.192","0.006","90","","2998.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}nickel(II)","","- C38 H32 N2 Ni O2 -","- C38 H32 N2 Ni O2 -","- C152 H128 N8 Ni4 O8 -","4","2","","Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph","Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","667","680","10.1039/c5dt03940a","","","0.71073","MoKα","","0.0438","0.0384","","","0.0922","0.0945","","","","","","1.006","","","","has coordinates","175991","2020-10-21","18:00:00",""
"7037105","21.483","0.002","21.483","0.0018","19.004","0.001","90","","90","","90","","8770.7","1.2","150","2","150","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C42 H57 B2 Bi N2 O3 -","- C42 H57 B2 Bi N2 O3 -","- C336 H456 B16 Bi8 N16 O24 -","8","1","","Fanfrlík, Jindřich; Sedlak, Robert; Pecina, Adam; Rulíšek, Lubomír; Dostál, Libor; Moncóľ, Ján; Růžička, Aleš; Hobza, Pavel","The non-planarity of the benzene molecule in the X-ray structure of the chelated bismuth(iii) heteroboroxine complex is not supported by quantum mechanical calculations.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","462","465","10.1039/c5dt04381f","","","0.71073","MoKα","","0.0875","0.0499","","","0.0976","0.1157","","","","","","1.093","","","","has coordinates,has disorder","175999","2020-10-21","18:00:00",""
"7037106","12.918","0.003","13.05","0.003","16.184","0.003","90","","112.66","0.03","90","","2517.7","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H52 Cu2 I8 N12 -","- C30 H52 Cu2 I8 N12 -","- C60 H104 Cu4 I16 N24 -","2","1","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","","0.71073","MoKα","","0.0271","0.0246","","","0.0551","0.0561","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037107","10.2045","0.0005","4.3265","0.0002","15.5492","0.0007","90","","98.654","0.005","90","","678.68","0.06","110","1","110","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N6 -","- C16 H16 N6 -","- C32 H32 N12 -","2","0.5","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","x-ray","1.5418","CuKα","","0.0936","0.0881","","","0.2313","0.2414","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037108","12.416","0.003","15.494","0.003","12.116","0.002","90","","102.09","0.03","90","","2279.1","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br4 Cu2 N14 -","- C34 H58 Br4 Cu2 N14 -","- C68 H116 Br8 Cu4 N28 -","2","0.5","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","","0.71073","MoKα","","0.0587","0.039","","","0.101","0.1094","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037109","12.27369","0.00016","12.65803","0.00014","20.9347","0.0003","90","","90","","90","","3252.43","0.07","110","1","110","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H34 Cu I4 N9 -","- C23 H34 Cu I4 N9 -","- C92 H136 Cu4 I16 N36 -","4","0.5","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","x-ray","1.5418","CuKα","","0.0684","0.0659","","","0.174","0.1768","","","","","","1.06","","","","has coordinates","170199","2020-10-21","18:00:00",""
"7037110","12.365","0.0004","12.5243","0.0005","20.2731","0.0006","85.405","0.003","78.567","0.003","63.473","0.003","2753.17","0.18","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H76 Cu2 N16 O8 -","- C46 H76 Cu2 N16 O8 -","- C92 H152 Cu4 N32 O16 -","2","1","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","x-ray","1.54184","CuKα","","0.0519","0.041","","","0.0966","0.0992","","","","","","0.973","","","","has coordinates","170199","2020-10-21","18:00:00",""
"7037111","12.794","0.003","8.002","0.0016","21.272","0.004","90","","96.49","0.03","90","","2163.8","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H52 Cl2 F12 N12 P2 -","- C31 H52 Cl2 F12 N12 P2 -","- C62 H104 Cl4 F24 N24 P4 -","2","0.5","","Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19111","19125","10.1039/c5dt03270a","","","0.71073","MoKα","","0.1113","0.0581","","","0.1418","0.1681","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037112","16.3613","0.0007","26.0082","0.0011","7.5595","0.0003","90","","90","","90","","3216.8","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Pentacarbonyl-(ethoxy-thieno[2,3-b]thiophen-2-yl-methylidene)-tungsten","","- C14 H8 O6 S2 W -","- C14 H8 O6 S2 W -","- C112 H64 O48 S16 W8 -","8","1","","Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon","Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19218","19231","10.1039/c5dt03555d","","","0.71073","MoKα","","0.0212","0.0207","","","0.0565","0.057","","","","","","1.351","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7037113","5.136","0.0003","8.5816","0.0005","8.6869","0.0005","76.136","0.004","87.027","0.004","83.209","0.004","369","0.04","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co N O3 P -","- C6 H6 Co N O3 P -","- C12 H12 Co2 N2 O6 P2 -","2","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0364","0.0303","","","0.0737","0.0761","","","","","","1.002","","","","has coordinates","170201","2020-10-21","18:00:00",""
"7037114","8.6107","0.0006","9.9794","0.0007","18.6737","0.0012","90","","90","","90","","1604.62","0.19","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N O4 P -","- C6 H8 Cu N O4 P -","- C48 H64 Cu8 N8 O32 P8 -","8","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0344","0.0268","","","0.0673","0.0708","","","","","","1.007","","","","has coordinates","170202","2020-10-21","18:00:00",""
"7037115","10.9621","0.0007","13.3551","0.0009","18.5207","0.0012","94.845","0.001","95.092","0.001","96.65","0.001","2670.2","0.3","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 O P4 S8 U -","- C52 H48 O P4 S8 U -","- C104 H96 O2 P8 S16 U2 -","2","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.038","0.0333","","","0.0868","0.0913","","","","","","1","","","","has coordinates","170203","2020-10-21","18:00:00",""
"7037116","11.77","0.002","14.808","0.003","16.972","0.003","79.148","0.002","70.433","0.002","69.036","0.002","2594.8","0.8","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 N2 P3 Pu S6 -","- C53 H48 N2 P3 Pu S6 -","- C106 H96 N4 P6 Pu2 S12 -","2","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0524","0.0351","","","0.0637","0.0674","","","","","","0.933","","","","has coordinates","170203","2020-10-21","18:00:00",""
"7037117","11.616","0.004","16.103","0.005","16.319","0.005","90","","109.164","0.004","90","","2883.3","1.6","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 P2 S2 -","- C36 H28 P2 S2 -","- C144 H112 P8 S8 -","4","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0613","0.0386","","","0.0796","0.0863","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037118","12.5652","0.0013","13.0602","0.0014","14.2301","0.0015","110.587","0.001","91.766","0.001","114.432","0.001","1947.3","0.4","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C45.5 H47 As O0.5 P S2 -","- C44 H44 As P S2 -","- C88 H88 As2 P2 S4 -","2","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0415","0.0333","","","0.0614","0.0627","","","","","","1.41","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037119","10.9835","0.0009","13.3013","0.001","18.4912","0.0014","94.945","0.001","95.113","0.001","96.364","0.001","2661.5","0.4","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Np O P4 S8 -","- C52 H48 Np O P4 S8 -","- C104 H96 Np2 O2 P8 S16 -","2","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0278","0.0223","","","0.0465","0.048","","","","","","1.1","","","","has coordinates","170203","2020-10-21","18:00:00",""
"7037120","22.8029","0.0017","20.2642","0.0015","23.9268","0.0017","90","","110.02","0.001","90","","10388.1","1.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H128 Np P4 S8 -","- C80 H96 Np P4 S8 -","- C320 H384 Np4 P16 S32 -","4","0.5","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0569","0.05","","","0.1331","0.1365","","","","","","1.467","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037121","17.76","0.003","19.279","0.004","25.446","0.005","90","","90","","90","","8713","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H104 P4 S8 U -","- C87 H104 P4 S8 U -","- C348 H416 P16 S32 U4 -","4","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0441","0.0288","","","0.0451","0.0482","","","","","","0.831","","","","has coordinates","170203","2020-10-21","18:00:00",""
"7037136","10.3047","0.0005","12.9","0.0006","13.2277","0.0006","113.66","0.002","92.194","0.002","90.476","0.003","1608.84","0.13","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","Cs2Mo6I8(C2F5COO)6","","- C26 H20 Cs2 F30 I8 Mo6 O14 -","- C26 H20 Cs2 F30 I8 Mo6 O14 -","- C26 H20 Cs2 F30 I8 Mo6 O14 -","1","0.5","","Amela-Cortes, Maria; Molard, Yann; Paofai, Serge; Desert, Anthony; Duvail, Jean-Luc; Naumov, Nikolay G.; Cordier, Stéphane","Versatility of the ionic assembling method to design highly luminescent PMMA nanocomposites containing [M6Q(i)8L(a)6](n-) octahedral nano-building blocks.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","237","245","10.1039/c5dt03734d","","x-ray","0.71073","MoKα","","0.0439","0.0402","","","0.0926","0.0942","","","","","","1.165","","","","has coordinates","176103","2020-10-21","18:00:00",""
"7037137","15.2395","0.0011","14.3009","0.0011","17.4321","0.0012","90","","96.931","0.002","90","","3771.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C192 H184 N8 O8 -","8","2","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.1147","0.0585","","","0.1106","0.1263","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037138","15.386","0.0004","18.99","0.0005","20.337","0.0004","85.228","0.002","84.9367","0.0018","81.21","0.002","5834.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H156 Mg4 N4 O8 -","- C140 H156 Mg4 N4 O8 -","- C280 H312 Mg8 N8 O16 -","2","1","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.1281","0.0828","","","0.1943","0.2216","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037139","10.83521","0.00013","13.2253","0.0002","15.70481","0.00019","97.5746","0.0012","99.7585","0.001","110.407","0.0014","2033.84","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 Mg2 N2 O4 -","- C102 H102 Mg2 N2 O4 -","- C102 H102 Mg2 N2 O4 -","1","0.5","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.044","0.0381","","","0.1039","0.1079","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037140","10.5447","0.0012","12.8512","0.0015","15.2786","0.0017","98.9945","0.0019","94.5901","0.0018","109.527","0.0017","1907.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H102 Mg2 N2 O6 -","- C96 H102 Mg2 N2 O6 -","- C96 H102 Mg2 N2 O6 -","1","0.5","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.0665","0.0554","","","0.1467","0.1535","","","","","","1.045","","","","has coordinates,has disorder","171245","2020-10-21","18:00:00",""
"7037141","9.1993","0.0002","18.5141","0.0004","14.7826","0.0004","90","","102.905","0.003","90","","2454.13","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 N O -","- C32 H31 N O -","- C128 H124 N4 O4 -","4","1","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.0732","0.0458","","","0.0961","0.1038","","","","","","1.032","","","","has coordinates","171245","2020-10-21","18:00:00",""
"7037142","11.2637","0.0007","18.6717","0.0011","15.0467","0.0009","90","","92.64","0.001","90","","3161.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 Mg2 N2 O6 -","- C74 H74 Mg2 N2 O6 -","- C148 H148 Mg4 N4 O12 -","2","0.5","","Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20532","20541","10.1039/c5dt03174e","","","0.71073","MoKα","","0.0536","0.0437","","","0.1132","0.118","","","","","","1.055","","","","has coordinates","171245","2020-10-21","18:00:00",""
"7037143","14.0903","0.0002","17.957","0.0003","20.4371","0.0003","72.727","0.0008","88.1416","0.0009","89.5445","0.0008","4935.17","0.13","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","[Os(bpy)2(dppcb)Pd(bpy)](PF6)4","","- C174 H151 F48 N17 Os2 P16 Pd2 -","- C174 H151 F48 N17 Os2 P16 Pd2 -","- C174 H151 F48 N17 Os2 P16 Pd2 -","1","0.5","","Prock, J.; Strabler, C.; Viertl, W.; Kopacka, H.; Obendorf, D.; Müller, T; Tordin, E.; Salzl, S.; Knör, G; Mauro, M.; De Cola, L.; Brüggeller, P","Unusual stability of dyads during photochemical hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20936","20948","10.1039/c5dt03414k","","","0.71073","MoKα","","0.0532","0.0437","","","0.1241","0.1424","","","","","","1.063","","","","has coordinates","171144","2020-10-21","18:00:00",""
"7037144","12.9389","0.0002","18.0338","0.0002","24.574","0.0004","74.4973","0.0009","87.5735","0.0008","77.9684","0.0009","5403.5","0.14","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","[Ru(bpy)2(dppcb)Pd(bpy)](SbF6)4","","- C174.5 H139.6 Cl21 F48 N12 P8 Pd2 Ru2 Sb8 -","- C174.5 H139.6 Cl21 F48 N12 P8 Pd2 Ru2 Sb8 -","- C174.5 H139.6 Cl21 F48 N12 P8 Pd2 Ru2 Sb8 -","1","0.5","","Prock, J.; Strabler, C.; Viertl, W.; Kopacka, H.; Obendorf, D.; Müller, T; Tordin, E.; Salzl, S.; Knör, G; Mauro, M.; De Cola, L.; Brüggeller, P","Unusual stability of dyads during photochemical hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20936","20948","10.1039/c5dt03414k","","","0.71073","MoKα","","0.0812","0.0619","","","0.1716","0.2395","","","","","","1.044","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037145","15.6388","0.0007","17.0603","0.0008","17.5445","0.0008","90.007","0.002","110.103","0.002","107.555","0.002","4162.8","0.3","243","2","243","2","","","","","","","","9","P -1","-P 1","2","","[Ru(bpy)2(dppcb)Pt(bpy)](BF4)4","","- C82 H68 B4 F16 N6 O1.4 P4 Pt Ru -","- C82 H68 B4 F16 N6 O1.4 P4 Pt Ru -","- C164 H136 B8 F32 N12 O2.8 P8 Pt2 Ru2 -","2","1","","Prock, J.; Strabler, C.; Viertl, W.; Kopacka, H.; Obendorf, D.; Müller, T; Tordin, E.; Salzl, S.; Knör, G; Mauro, M.; De Cola, L.; Brüggeller, P","Unusual stability of dyads during photochemical hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20936","20948","10.1039/c5dt03414k","","","0.71073","MoKα","","0.0753","0.0481","","","0.1253","0.1764","","","","","","1.021","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037146","10.789","0.0011","12.7071","0.0013","16.9727","0.0018","100.954","0.002","100.243","0.002","109.293","0.002","2082.3","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","lixl-Dy6-NO3","","- C44 H54 Dy6 N16 O54 -","- C44 H54 Dy6 N16 O54 -","- C44 H54 Dy6 N16 O54 -","1","0.5","","Li, Xiao-Lei; Li, Han; Chen, Di-Ming; Wang, Chao; Wu, Jianfeng; Tang, Jinkui; Shi, Wei; Cheng, Peng","Planar Dy3 + Dy3 clusters: design, structure and axial ligand perturbed magnetic dynamics.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20316","20320","10.1039/c5dt03931b","","","0.71073","MoKα","","0.0605","0.0457","","","0.1271","0.1393","","","","","","1.039","","","","has coordinates,has disorder","171250","2020-10-21","18:00:00",""
"7037147","40.411","0.008","11.713","0.002","30.558","0.006","90","","129.65","0.03","90","","11137","6","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H35.25 Dy3 N13.25 O10.5 S4 -","- C31 H35.25 Dy3 N13.25 O10.5 S4 -","- C248 H282 Dy24 N106 O84 S32 -","8","1","","Li, Xiao-Lei; Li, Han; Chen, Di-Ming; Wang, Chao; Wu, Jianfeng; Tang, Jinkui; Shi, Wei; Cheng, Peng","Planar Dy3 + Dy3 clusters: design, structure and axial ligand perturbed magnetic dynamics.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20316","20320","10.1039/c5dt03931b","","","0.71073","MoKα","","0.0955","0.0741","","","0.1806","0.1933","","","","","","1.101","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037153","7.2329","0.0014","11.889","0.002","17.55","0.004","90","","101.75","0.03","90","","1477.5","0.5","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Ge3 Na Se8 -","- Ga Ge3 Na Se8 -","- Ga4 Ge12 Na4 Se32 -","4","1","","Li, Xiaoshuang; Li, Chao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, crystal structures and physical properties of three new chalcogenides: NaGaGe3Se8, K3Ga3Ge7S20, and K3Ga3Ge7Se20.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","532","538","10.1039/c5dt03682h","","","0.71073","MoKα","","0.0881","0.0664","","","0.1044","0.1145","","","","","","0.897","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037154","6.7665","0.0004","37.527","0.002","6.6796","0.0004","90","","90.802","0.005","90","","1695.96","0.17","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 Ge7 K3 S20 -","- Ga3 Ge7 K3 S20 -","- Ga6 Ge14 K6 S40 -","2","0.5","","Li, Xiaoshuang; Li, Chao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, crystal structures and physical properties of three new chalcogenides: NaGaGe3Se8, K3Ga3Ge7S20, and K3Ga3Ge7Se20.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","532","538","10.1039/c5dt03682h","","","0.71073","MoKα","","0.071","0.0564","","","0.1086","0.1156","","","","","","1.145","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037155","7.052","0.0004","39.033","0.002","6.9488","0.0004","90","","90.433","0.005","90","","1912.68","0.18","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 Ge7 K3 Se20 -","- Ga3 Ge7 K3 Se20 -","- Ga6 Ge14 K6 Se40 -","2","0.5","","Li, Xiaoshuang; Li, Chao; Gong, Pifu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Syntheses, crystal structures and physical properties of three new chalcogenides: NaGaGe3Se8, K3Ga3Ge7S20, and K3Ga3Ge7Se20.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","532","538","10.1039/c5dt03682h","","","0.71073","MoKα","","0.0708","0.0502","","","0.1048","0.116","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037156","11.4961","0.0004","30.8004","0.001","12.1865","0.0004","90","","90","","90","","4315.1","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl2 N9 O10 Ru -","- C43 H35 Cl2 N9 O10 Ru -","- C172 H140 Cl8 N36 O40 Ru4 -","4","1","","Mardanya, Sourav; Karmakar, Srikanta; Bar, Manoranjan; Baitalik, Sujoy","Pyrene-biimidazole based Ru(ii) and Os(ii) complexes as highly efficient probes for the visible and near-infrared detection of cyanide in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21053","21072","10.1039/c5dt03766b","","","0.71073","MoKα","","0.1363","0.059","","","0.1457","0.18","","","","","","0.703","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037157","13.432","0.002","10.503","0.002","24.428","0.004","90","","98.478","0.004","90","","3408.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H62 Dy2 N8 O22 -","- C62 H62 Dy2 N8 O22 -","- C124 H124 Dy4 N16 O44 -","2","0.5","","Ke, Hongshan; Zhang, Sheng; Li, Xin; Wei, Qing; Xie, Gang; Wang, Wenyuan; Chen, Sanping","A Dy2 single-molecule magnet with benzoate anions and phenol-O(-) bridging groups.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21025","21031","10.1039/c5dt03607k","","","0.71073","MoKα","","0.1904","0.1549","","","0.2116","0.2222","","","","","","1.577","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037158","9.6907","0.0005","13.8415","0.0016","16.1294","0.0016","71.423","0.008","88.332","0.007","76.42","0.006","1991","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H46 F3 N3 O9 P Rh S -","- C38 H46 F3 N3 O9 P Rh S -","- C76 H92 F6 N6 O18 P2 Rh2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Petrini, Agnese; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.","Organometallic rhodium(iii) and iridium(iii) cyclopentadienyl complexes with curcumin and bisdemethoxycurcumin co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20523","20531","10.1039/c5dt03037d","","","0.71073","MoKα","","0.0558","0.0383","","","0.0754","0.084","","","","","","1.103","","","","has coordinates","171254","2020-10-21","18:00:00",""
"7037159","10.7522","0.0008","12.8029","0.0006","14.1428","0.0016","98.723","0.007","94.67","0.007","106.621","0.006","1827.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H42 F3 N3 O7 P Rh S -","- C36 H42 F3 N3 O7 P Rh S -","- C72 H84 F6 N6 O14 P2 Rh2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Petrini, Agnese; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.","Organometallic rhodium(iii) and iridium(iii) cyclopentadienyl complexes with curcumin and bisdemethoxycurcumin co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20523","20531","10.1039/c5dt03037d","","","0.71073","MoKα","","0.067","0.0463","","","0.0926","0.1018","","","","","","1.136","","","","has coordinates,has disorder","171254","2020-10-21","18:00:00",""
"7037160","10.7256","0.0007","12.7714","0.0014","14.126","0.0017","98.921","0.01","94.649","0.009","106.74","0.007","1814.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H42 F3 Ir N3 O7 P S -","- C36 H42 F3 Ir N3 O7 P S -","- C72 H84 F6 Ir2 N6 O14 P2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Petrini, Agnese; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.","Organometallic rhodium(iii) and iridium(iii) cyclopentadienyl complexes with curcumin and bisdemethoxycurcumin co-ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20523","20531","10.1039/c5dt03037d","","","0.71073","MoKα","","0.0636","0.0468","","","0.1135","0.1297","","","","","","1.062","","","","has coordinates,has disorder","171254","2020-10-21","18:00:00",""
"7037163","11.2704","0.0015","11.895","0.002","20.373","0.004","106.635","0.01","94.676","0.012","103.633","0.013","2510.4","0.8","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 Cl4 Mn2 N7 O2 -","- C52 H49 Cl4 Mn2 N7 O2 -","- C104 H98 Cl8 Mn4 N14 O4 -","2","1","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.6942","synchrotron","","0.0608","0.0455","","","0.1143","0.1188","","","","","","1.005","","","","has coordinates","176110","2020-10-21","18:00:00",""
"7037164","10.7462","0.0003","12.3269","0.0005","21.8883","0.0007","84.265","0.003","89.403","0.002","66.42","0.003","2642.69","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H55 Cl4 Mn2 N5 O2 -","- C54 H55 Cl4 Mn2 N5 O2 -","- C108 H110 Cl8 Mn4 N10 O4 -","2","1","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.71073","MoKα","","0.0702","0.0459","","","0.1031","0.1139","","","","","","1.052","","","","has coordinates,has disorder","176110","2020-10-21","18:00:00",""
"7037165","11.3736","0.0014","14.4597","0.0018","26.105","0.003","90","","100.577","0.003","90","","4220.3","0.9","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl2 Mn2 N4 O5 -","- C45 H36 Cl2 Mn2 N4 O5 -","- C180 H144 Cl8 Mn8 N16 O20 -","4","1","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.6931","synchrotron","","0.1261","0.0711","","","0.1572","0.1686","","","","","","0.902","","","","has coordinates","176110","2020-10-21","18:00:00",""
"7037166","9.0678","0.0003","14.5779","0.0006","18.8111","0.0007","72.522","0.003","83.68","0.003","87.859","0.003","2357.39","0.16","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Cl2 Mn2 N8 O4 -","- C50 H42 Cl2 Mn2 N8 O4 -","- C100 H84 Cl4 Mn4 N16 O8 -","2","1","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.71073","MoKα","","0.0566","0.0406","","","0.0861","0.0942","","","","","","1.046","","","","has coordinates","176110","2020-10-21","18:00:00",""
"7037167","13.574","0.0014","9.1261","0.0011","22.833","0.003","90","","102.45","0.01","90","","2762","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C50 H45 Cl2 Mn2 N5 O4 -","- C48 H42 Cl2 Mn2 N4 O4 -","- C96 H84 Cl4 Mn4 N8 O8 -","2","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.71073","MoKα","","0.0838","0.053","","","0.1052","0.1179","","","","","","0.921","","","","has coordinates,has disorder","176110","2020-10-21","18:00:00",""
"7037168","9.251","0.003","12.594","0.004","12.781","0.004","82.736","0.005","83.976","0.005","70.543","0.005","1389.6","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H66 Cl2 Mn2 N6 O4 -","- C62 H66 Cl2 Mn2 N6 O4 -","- C62 H66 Cl2 Mn2 N6 O4 -","1","0.5","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.6897","synchrotron","","0.1215","0.0836","","","0.2344","0.2732","","","","","","1.055","","","","has coordinates,has disorder","176110","2020-10-21","18:00:00",""
"7037169","8.6706","0.0004","23.5547","0.001","27.6317","0.0012","90","","97.6782","0.0007","90","","5592.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Cl3 Mn N3 O -","- C27 H30 Cl3 Mn N3 O -","- C216 H240 Cl24 Mn8 N24 O8 -","8","1","","Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko","Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","226","236","10.1039/c5dt03453a","","","0.71073","MoKα","","0.0553","0.0372","","","0.0909","0.1013","","","","","","1.012","","","","has coordinates","176110","2020-10-21","18:00:00",""
"7037180","15.5106","0.0013","13.6456","0.0011","22.8667","0.0019","90","","95.466","0.001","90","","4817.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Cl2 Ga N2 Na O4 -","- C44 H56 Cl2 Ga N2 Na O4 -","- C176 H224 Cl8 Ga4 N8 Na4 O16 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.0666","0.0444","","","0.1362","0.1556","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037181","21.791","0.0012","13.8835","0.0007","15.5578","0.0008","90","","91.794","0.001","90","","4704.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cl2 Ga2 N4 -","- C48 H49 Cl2 Ga2 N4 -","- C192 H196 Cl8 Ga8 N16 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.0653","0.0429","","","0.0911","0.1006","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037182","8.3517","0.0019","11.301","0.003","11.78","0.003","116.796","0.003","92.365","0.004","93.472","0.004","987.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cl2 Ga2 N4 -","- C40 H48 Cl2 Ga2 N4 -","- C40 H48 Cl2 Ga2 N4 -","1","0.5","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.0662","0.0443","","","0.0946","0.1052","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037183","13.8166","0.0011","17.5982","0.0014","32.893","0.003","90","","94.644","0.001","90","","7971.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H128 Ga2 N4 Na O6 -","- C80 H128 Ga2 N4 Na O6 -","- C320 H512 Ga8 N16 Na4 O24 -","4","1","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.1472","0.1053","","","0.1926","0.2123","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037184","12.0388","0.001","13.9068","0.0012","12.7141","0.0011","90","","105.968","0.001","90","","2046.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl6 Ga2 N2 -","- C35 H48 Cl6 Ga2 N2 -","- C70 H96 Cl12 Ga4 N4 -","2","1","","Zhao, Yanxia; Liu, Yanyan; Li, Qian-Shu; Su, Ji-Hu","Synthesis and structures of mononuclear and dinuclear gallium complexes with α-diimine ligands: reduction of the metal or ligand?","Dalton transactions (Cambridge, England : 2003)","2015","45","1","246","252","10.1039/c5dt03372a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0605","0.0614","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037188","10.8804","0.0004","11.4875","0.0004","24.2218","0.0009","103.327","0.001","91.892","0.001","104.796","0.001","2834.62","0.18","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H53 Cl3 O2 P4 Ru -","- C61 H53 Cl3 O2 P4 Ru -","- C122 H106 Cl6 O4 P8 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.049","","","0.1298","0.1379","","","","","","1.093","","","","has coordinates,has disorder","171149","2020-10-21","18:00:00",""
"7037189","10.2463","0.0001","31.3382","0.0003","18.143","0.0002","90","","94.344","0.001","90","","5808.99","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 Cl3 P4 Ru Si -","- C64 H59 Cl3 P4 Ru Si -","- C256 H236 Cl12 P16 Ru4 Si4 -","4","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","1.54178","CuKα","","0.0503","0.0399","","","0.0986","0.1059","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037190","13.5448","0.0004","13.5845","0.0004","13.8574","0.0003","93.781","0.002","109.044","0.002","94.896","0.002","2389.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H49 Cl P4 Ru -","- C58 H49 Cl P4 Ru -","- C116 H98 Cl2 P8 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","","0.0551","0.04","","","0.0912","0.101","","","","","","1.049","","","","has coordinates","171149","2020-10-21","18:00:00",""
"7037191","10.9313","0.0005","11.6259","0.0006","21.9491","0.001","78.522","0.001","88.27","0.001","75.251","0.001","2643","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H53 Cl3 P4 Ru -","- C60 H53 Cl3 P4 Ru -","- C120 H106 Cl6 P8 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0803","0.0528","","","0.1413","0.1564","","","","","","1.086","","","","has coordinates,has disorder","171149","2020-10-21","18:00:00",""
"7037192","9.5876","0.0003","22.2227","0.0007","12.7177","0.0004","90","","107.603","0.001","90","","2582.78","0.14","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H54 Cl3 O P4 Ru -","- C60 H54 Cl3 O P4 Ru -","- C120 H108 Cl6 O2 P8 Ru2 -","2","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0848","0.0735","","","0.1574","0.1626","","","","","","1.171","","","","has coordinates,has disorder","171149","2020-10-21","18:00:00",""
"7037193","17.7726","0.0015","13.9939","0.0012","25.218","0.002","90","","104.388","0.003","90","","6075.2","0.9","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H59 Cl3 O4 P4 Ru -","- C71 H59 Cl3 O4 P4 Ru -","- C284 H236 Cl12 O16 P16 Ru4 -","4","0.5","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.1402","0.068","","","0.1614","0.1935","","","","","","0.914","","","","has coordinates","171149","2020-10-21","18:00:00",""
"7037194","13.5079","0.0007","22.8614","0.0011","20.0977","0.001","90","","90","","90","","6206.4","0.5","120","","120","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C69.5 H62 B F4 O0.5 P4 Ru -","- C69.5 H62 B F4 O0.5 P4 Ru -","- C278 H248 B4 F16 O2 P16 Ru4 -","4","1","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.","Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21016","21024","10.1039/c5dt03844h","","x-ray","0.71073","MoKα","K-L~3~","0.0705","0.0443","","","0.1098","0.1271","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037195","13.094","0.0007","23.2706","0.0013","17.1498","0.0009","90","","104.668","0.001","90","","5055.3","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 Cl6 F10 Ir N5 P S2 -","- C44 H33 Cl6 F10 Ir N5 P S2 -","- C176 H132 Cl24 F40 Ir4 N20 P4 S8 -","4","1","","Cao, Deng-Ke; Hu, Jiong-Sheng; Li, Min-Qiang; Gong, Dan-Ping; Li, Xiao-Xiong; Ward, Michael D.","Two bisthienylethene-Ir(iii) complexes showing acid/base-induced structural transformation and on-off luminescence switching in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21008","21015","10.1039/c5dt03809j","","","0.71073","MoKα","","0.0602","0.0402","","","0.1128","0.1263","","","","","","1.022","","","","has coordinates","171153","2020-10-21","18:00:00",""
"7037196","19.722","0.012","10.353","0.007","20.409","0.013","90","","113.573","0.011","90","","3819","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 F4 Ir N5 S2 -","- C42 H30 F4 Ir N5 S2 -","- C168 H120 F16 Ir4 N20 S8 -","4","1","","Cao, Deng-Ke; Hu, Jiong-Sheng; Li, Min-Qiang; Gong, Dan-Ping; Li, Xiao-Xiong; Ward, Michael D.","Two bisthienylethene-Ir(iii) complexes showing acid/base-induced structural transformation and on-off luminescence switching in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21008","21015","10.1039/c5dt03809j","","","0.71073","MoKα","","0.0966","0.0496","","","0.1082","0.1276","","","","","","0.998","","","","has coordinates","171153","2020-10-21","18:00:00",""
"7037197","11.123","0.0008","12.1932","0.0009","13.3388","0.001","85.961","0.001","68.004","0.001","87.862","0.001","1673.1","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","tetramethylammonium rhodium nonaniobate","","","- C24 H100 N6 Nb8.88 O42 Rh1.12 -","- C24 H100 N6 Nb8.876 O42 Rh1.124 -","- C24 H100 N6 Nb8.876 O42 Rh1.124 -","1","0.5","","Son, Jung-Ho; Casey, Willam H.","Two Rh(III)-substituted polyoxoniobates and their base-induced transformation: [H2RhNb9O28](6-) and [Rh2(OH)4Nb10O30](8.).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20330","20333","10.1039/c5dt03797b","","","0.71073","MoKα","","0.036","0.033","","","0.0825","0.084","","","","","","1.121","","","","has coordinates,has disorder","171260","2020-10-21","18:00:00",""
"7037198","11.0911","0.0015","15.379","0.002","24.327","0.003","90","","93.748","0.002","90","","4140.6","0.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tetramethylammonium bis-rhodium decaniobate","","","- C32 H136 N8 Nb10 O52 Rh2 -","- C32 H136 N8 Nb10 O52 Rh2 -","- C64 H272 N16 Nb20 O104 Rh4 -","2","0.5","","Son, Jung-Ho; Casey, Willam H.","Two Rh(III)-substituted polyoxoniobates and their base-induced transformation: [H2RhNb9O28](6-) and [Rh2(OH)4Nb10O30](8.).","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20330","20333","10.1039/c5dt03797b","","","0.71073","MoKα","","0.0203","0.019","","","0.0454","0.046","","","","","","1.095","","","","has coordinates","171260","2020-10-21","18:00:00",""
"7037199","13.541","0.005","8.543","0.005","19.62","0.005","90","","97.495","0.005","90","","2250.3","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F6 Ge N4 O6 S2 -","- C13 H24 F6 Ge N4 O6 S2 -","- C52 H96 F24 Ge4 N16 O24 S8 -","4","1","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.0502","0.0372","","","0.0823","0.0884","","","","","","1.036","","","","has coordinates","171156","2020-10-21","18:00:00",""
"7037200","17.1253","0.0003","17.1253","0.0003","22.116","0.001","90","","90","","90","","6486.1","0.3","100","2","100","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C15.6 H30.4 F6 Ge N4.8 O6 S2 -","- C15.6 H30.4 F6 Ge N4.8 O6 S2 -","- C156 H304 F60 Ge10 N48 O60 S20 -","10","1.25","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","x-ray","0.71073","MoKα","","0.0708","0.0538","","","0.1312","0.1418","","","","","","1.03","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037201","8.1521","0.0009","13.9764","0.0015","14.2804","0.0016","90","","101.705","0.007","90","","1593.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 Cl F3 Ge N3 O3 S -","- C10 H21 Cl F3 Ge N3 O3 S -","- C40 H84 Cl4 F12 Ge4 N12 O12 S4 -","4","1","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.06","0.0474","","","0.1081","0.115","","","","","","0.987","","","","has coordinates","171156","2020-10-21","18:00:00",""
"7037202","14.399","0.005","10.139","0.005","21.491","0.005","90","","90","","90","","3138","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl2 Ge N4 -","- C11 H24 Cl2 Ge N4 -","- C88 H192 Cl16 Ge8 N32 -","8","2","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.1075","0.0608","","","0.1029","0.119","","","","","","1.025","","","","has coordinates","171156","2020-10-21","18:00:00",""
"7037203","6.997","0.002","10.82","0.004","11.974","0.004","99.11","0.007","93.245","0.005","92.108","0.008","892.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H21 Cl3 F3 N3 O3 S Si -","- C10 H21 Cl3 F3 N3 O3 S Si -","- C20 H42 Cl6 F6 N6 O6 S2 Si2 -","2","1","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.0389","0.0321","","","0.0687","0.0719","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037204","34.475","0.008","26.707","0.006","11.82","0.003","90","","106.684","0.005","90","","10425","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9.67 H22.33 Cl5.33 N3 Si -","- C9.66667 H22.3333 Cl5.33333 N3 Si -","- C232 H536 Cl128 N72 Si24 -","24","3","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.1207","0.0943","","","0.2271","0.2472","","","","","","1.107","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7037205","17.728","0.005","19.613","0.006","26.662","0.008","90","","90","","90","","9270","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H35 B Cl3 F24 N3 Si -","- C41 H35 B Cl3 F24 N3 Si -","- C328 H280 B8 Cl24 F192 N24 Si8 -","8","1","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.1465","0.0965","","","0.1366","0.155","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037206","10.3863","0.0004","11.4627","0.0005","33.1945","0.0013","90","","98.6499","0.0017","90","","3907","0.3","100","2","100","2","","","","","","","synthetical product","5","P 1 21/n 1","-P 2yn","14","bis{2,4-di-tert-butyl-6-[(E)-(tert-butylimino)methyl]phenolato-N,O}-dioxo-mo-lybdenum(VI)","bis{2,4-di-tert-butyl-6-[(E)-(tert-butylimino)methyl]phenolato-N,O}-dioxo-mo-lybdenum(VI)","","- C38 H60 Mo N2 O4 -","- C38 H60 Mo N2 O4 -","- C152 H240 Mo4 N8 O16 -","4","1","","Dupé, Antoine; Judmaier, Martina E.; Belaj, Ferdinand; Zangger, Klaus; Mösch-Zanetti, Nadia C","Activation of molecular oxygen by a molybdenum complex for catalytic oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20514","20522","10.1039/c5dt02931g","","","0.71073","MoKα","","0.0869","0.0585","","","0.1401","0.1507","","","","","","1.107","","","","has coordinates","171263","2020-10-21","18:00:00",""
"7037207","24.3085","0.0013","15.8102","0.0008","20.8035","0.0011","90","","94.112","0.002","90","","7974.7","0.7","100","2","100","2","","","","","","","synthetical product","5","C 1 2/c 1","-C 2yc","15","bis(4,6-di(tert-butyl)-2-((tert-butylimino)methyl)-phenolato-N,O)-oxo-peroxo-molybdenum(VI) THF/n-pentane solvate [2:0.768(6):0.232(6)]","bis(4,6-di(tert-butyl)-2-((tert-butylimino)methyl)-phenolato-N,O)-oxo-peroxo-molybdenum(VI) THF/n-pentane solvate [2:0.768(6):0.232(6)]","","- C80.23 H128.93 Mo2 N4 O10.77 -","- C80.232 H128.928 Mo2 N4 O10.768 -","- C320.928 H515.712 Mo8 N16 O43.072 -","4","0.5","","Dupé, Antoine; Judmaier, Martina E.; Belaj, Ferdinand; Zangger, Klaus; Mösch-Zanetti, Nadia C","Activation of molecular oxygen by a molybdenum complex for catalytic oxidation.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20514","20522","10.1039/c5dt02931g","","","0.71073","MoKα","","0.0304","0.0277","","","0.069","0.0709","","","","","","1.1","","","","has coordinates,has disorder","171263","2020-10-21","18:00:00",""
"7037208","11.7431","0.001","13.2703","0.001","13.7193","0.0011","107.661","0.001","106.897","0.001","95.669","0.002","1907.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 Mn Mo8 N12 O44 -","- C54 H66 Mn Mo8 N12 O44 -","- C54 H66 Mn Mo8 N12 O44 -","1","0.5","","Xu, Na; Zhang, Ju-Wen; Wang, Xiu-Li; Liu, Guo-Cheng; Li, Tian-Jiao","Solvent-induced Mn(ii)/Zn(ii)/Co(ii) organopolymolybdate compounds constructed by bis-pyridyl-bis-amide ligands through the Mo-N bond: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","760","767","10.1039/c5dt03375f","","","0.71073","MoKα","","0.0799","0.0447","","","0.0989","0.1137","","","","","","1","","","","has coordinates,has disorder","175983","2020-10-21","18:00:00",""
"7037209","11.7091","0.0011","13.2967","0.0011","13.6131","0.0011","106.088","0.002","106.707","0.002","97.176","0.002","1901.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 Mo8 N12 O39 Zn2 -","- C55 H57 Mo8 N12 O39 Zn2 -","- C55 H57 Mo8 N12 O39 Zn2 -","1","0.5","","Xu, Na; Zhang, Ju-Wen; Wang, Xiu-Li; Liu, Guo-Cheng; Li, Tian-Jiao","Solvent-induced Mn(ii)/Zn(ii)/Co(ii) organopolymolybdate compounds constructed by bis-pyridyl-bis-amide ligands through the Mo-N bond: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","760","767","10.1039/c5dt03375f","","","0.71073","MoKα","","0.0743","0.0455","","","0.1173","0.1292","","","","","","1.029","","","","has coordinates","175983","2020-10-21","18:00:00",""
"7037210","11.7021","0.0008","13.3591","0.0009","13.5639","0.0009","106.196","0.001","106.398","0.001","97.157","0.001","1905.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 Co2 Mo8 N12 O39 -","- C55 H57 Co2 Mo8 N12 O39 -","- C55 H57 Co2 Mo8 N12 O39 -","1","0.5","","Xu, Na; Zhang, Ju-Wen; Wang, Xiu-Li; Liu, Guo-Cheng; Li, Tian-Jiao","Solvent-induced Mn(ii)/Zn(ii)/Co(ii) organopolymolybdate compounds constructed by bis-pyridyl-bis-amide ligands through the Mo-N bond: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","760","767","10.1039/c5dt03375f","","","0.71073","MoKα","","0.0594","0.0416","","","0.1165","0.1251","","","","","","1.045","","","","has coordinates","175983","2020-10-21","18:00:00",""
"7037211","10.148","0.002","13.103","0.003","22.379","0.005","94.63","0.03","92.37","0.03","102.84","0.03","2886.5","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 Cl2 Co N3 -","- C28 H31 Cl2 Co N3 -","- C112 H124 Cl8 Co4 N12 -","4","2","","Huang, Fang; Zhang, Wenjuan; Yue, Erlin; Liang, Tongling; Hu, Xinquan; Sun, Wen-Hua","Controlling the molecular weights of polyethylene waxes using the highly active precatalysts of 2-(1-aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridylcobalt chlorides: synthesis, characterization, and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","657","666","10.1039/c5dt03779d","","","0.71073","MoKα","","0.0877","0.0777","","","0.2235","0.2341","","","","","","1.047","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037212","9.1872","0.0018","18.382","0.004","24.108","0.005","110.6","0.03","96.73","0.03","91.19","0.03","3776.3","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Cl2 Co N3 -","- C36 H47 Cl2 Co N3 -","- C144 H188 Cl8 Co4 N12 -","4","2","","Huang, Fang; Zhang, Wenjuan; Yue, Erlin; Liang, Tongling; Hu, Xinquan; Sun, Wen-Hua","Controlling the molecular weights of polyethylene waxes using the highly active precatalysts of 2-(1-aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridylcobalt chlorides: synthesis, characterization, and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","657","666","10.1039/c5dt03779d","","","0.71073","MoKα","","","0.1046","","","0.2726","0.2935","","","","","","1.016","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7037213","29.946","0.006","8.5447","0.0017","26.208","0.005","90","","109.92","0.03","90","","6305","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Cl2 Co N3 -","- C30 H35 Cl2 Co N3 -","- C240 H280 Cl16 Co8 N24 -","8","1","","Huang, Fang; Zhang, Wenjuan; Yue, Erlin; Liang, Tongling; Hu, Xinquan; Sun, Wen-Hua","Controlling the molecular weights of polyethylene waxes using the highly active precatalysts of 2-(1-aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridylcobalt chlorides: synthesis, characterization, and catalytic behavior.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","657","666","10.1039/c5dt03779d","","","0.71073","MoKα","","","0.0623","","","0.1689","0.1748","","","","","","1.147","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7037214","13.512","0.003","13.512","0.003","18.097","0.006","90","","90","","90","","3304","1.5","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C40.58 H68 Ag Cl5 Cu6 N8 O37.42 -","- C40.584 H64 Ag Cl5 Cu6 N8 O37.416 -","- C81.168 H128 Ag2 Cl10 Cu12 N16 O74.832 -","2","0.25","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0672","0.0544","","","0.1408","0.1496","","","","","","1.04","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037215","13.4554","0.0016","13.4554","0.0016","17.931","0.002","90","","90","","90","","3246.4","0.7","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37 -","- C40 H64 Ag0.564 Cl5 Cu6 N8 Na0.436 O37 -","- C80 H128 Ag1.128 Cl10 Cu12 N16 Na0.872 O74 -","2","0.25","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0538","0.0424","","","0.1087","0.1153","","","","","","1.04","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037216","12.736","0.0007","12.849","0.0008","19.615","0.0012","104.74","0.001","97.67","0.001","95.197","0.001","3050.4","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","- C57 H132 Ag2 Cl10 Cu12 N16 O81 -","1","1","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.0719","0.055","","","0.1238","0.1352","","","","","","1.034","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037217","9.8711","0.0012","24.766","0.003","25.596","0.003","90","","100.77","0.002","90","","6147.2","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H130 Ag2 Cl10 Cu12 N16 O82 -","- C55 H130 Ag2 Cl10 Cu12 N16 O82 -","- C110 H260 Ag4 Cl20 Cu24 N32 O164 -","2","1","","Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli","Silver complexation by metallacryptates.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","284","295","10.1039/c5dt03749b","","","0.71073","MoKα","","0.1219","0.0799","","","0.1879","0.2059","","","","","","1.014","","","","has coordinates,has disorder","176102","2020-10-21","18:00:00",""
"7037222","38.41","0.007","38.41","0.007","8.7096","0.0015","90","","90","","120","","11128","3","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C14 H20 O14 U2 -","- C14 H10 O10 U2 -","- C252 H180 O180 U36 -","18","1","","Yang, Yanqiu; Teat, Simon J.; Zhang, Zhicheng; Luo, Shunzhong; Rao, Linfeng","Complexation of U(vi) with benzoic acid at variable temperatures (298-353 K): thermodynamics and crystal structures of U(vi)/benzoate complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","384","391","10.1039/c5dt03532e","","","0.7749","synchrotron","","0.0485","0.0332","","","0.0689","0.0739","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7037223","10.4399","0.0003","14.3879","0.0004","16.0385","0.0004","66.238","0.001","78.212","0.001","83.37","0.001","2156.91","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 Ir N4 -","- C56 H53 Ir N4 -","- C112 H106 Ir2 N8 -","2","1","","Zuo, Huiping; Liu, Zhipeng; Yang, Wu; Zhou, Zhikuan; Chan, Kin Shing","User-friendly aerobic reductive alkylation of iridium(iii) porphyrin chloride with potassium hydroxide: scope and mechanism.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20618","20625","10.1039/c5dt03845f","","","0.71073","MoKα","","0.0219","0.0197","","","0.0535","0.0597","","","","","","1.187","","","","has coordinates,has disorder","171246","2020-10-21","18:00:00",""
"7037224","15.451","0.008","12.705","0.006","22.893","0.012","90","","100.33","0.009","90","","4421","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ir(ttp)-n-pentyl","n-Pentyl (5,10,15,20-tetratolylporphyrinato) iridium(III)","","- C53 H48 Ir N4 -","- C53 H48 Ir N4 -","- C212 H192 Ir4 N16 -","4","1","","Zuo, Huiping; Liu, Zhipeng; Yang, Wu; Zhou, Zhikuan; Chan, Kin Shing","User-friendly aerobic reductive alkylation of iridium(iii) porphyrin chloride with potassium hydroxide: scope and mechanism.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20618","20625","10.1039/c5dt03845f","","","0.71073","MoKα","","0.0704","0.0353","","","0.0741","0.0868","","","","","","1.017","","","","has coordinates","171246","2020-10-21","18:00:00",""
"7037225","11.032","0.0008","16.9785","0.0012","25.105","0.0016","90","","95.306","0.003","90","","4682.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ir(ttp)-adamantyl","Adamantyl (5,10,15,20-tetratolylporphyri-nato) iridium(III)","","- C58 H51 Ir N4 -","- C58 H51 Ir N4 -","- C232 H204 Ir4 N16 -","4","1","","Zuo, Huiping; Liu, Zhipeng; Yang, Wu; Zhou, Zhikuan; Chan, Kin Shing","User-friendly aerobic reductive alkylation of iridium(iii) porphyrin chloride with potassium hydroxide: scope and mechanism.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20618","20625","10.1039/c5dt03845f","","","0.71073","MoKα","","0.1375","0.0778","","","0.1743","0.1975","","","","","","1.081","","","","has coordinates","171246","2020-10-21","18:00:00",""
"7037226","15.5148","0.0006","18.208","0.0008","16.0602","0.0007","90","","107.567","0.0011","90","","4325.3","0.3","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ir(ttp)-c-pentyl. CH2Cl2","c-Pentyl (5,10,15,20-tetratolylporphyri-nato) iridium(III) .CH2Cl2","","- C54 H47 Cl2 Ir N4 -","- C54 H47 Cl2 Ir N4 -","- C216 H188 Cl8 Ir4 N16 -","4","1","","Zuo, Huiping; Liu, Zhipeng; Yang, Wu; Zhou, Zhikuan; Chan, Kin Shing","User-friendly aerobic reductive alkylation of iridium(iii) porphyrin chloride with potassium hydroxide: scope and mechanism.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20618","20625","10.1039/c5dt03845f","","","0.71073","MoKα","","0.0257","0.0236","","","0.0574","0.059","","","","","","1.057","","","","has coordinates","171246","2020-10-21","18:00:00",""
"7037227","30.53","0.003","19.2182","0.0013","21.851","0.003","90","","132.931","0.002","90","","9387","1.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H52 Dy N9 O12 -","- C46 H52 Dy N9 O12 -","- C368 H416 Dy8 N72 O96 -","8","2","","Ren, Min; Xu, Zhong-Li; Wang, Ting-Ting; Bao, Song-Song; Zheng, Ze-Hua; Zhang, Zai-Chao; Zheng, Li-Min","Homochiral mononuclear Dy-Schiff base complexes showing field-induced double magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","690","695","10.1039/c5dt03800f","","","0.71073","MoKα","","0.0967","0.0546","","","0.0821","0.0909","","","","","","1.002","","","","has coordinates,has disorder","192220","2020-10-21","18:00:00",""
"7037239","5.5714","0.0017","6.978","0.002","10.303","0.003","103.643","0.003","101.225","0.003","101.936","0.005","368.14","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Br2 Cu O6 -","- C8 H20 Br2 Cu O6 -","- C8 H20 Br2 Cu O6 -","1","0.5","","Shi, Jinbiao; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Crystal-to-crystal transformation from a chain compound to a layered coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","89","92","10.1039/c5dt03985a","","","0.71073","MoKα","","0.0238","0.0224","","","0.0566","0.0576","","","","","","1.094","","","","has coordinates","176117","2020-10-21","18:00:00",""
"7037240","7.919","0.005","12.382","0.007","9.56","0.006","90","","107.177","0.008","90","","895.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H16 Br6 Cu3 O4 -","- C8 H16 Br6 Cu3 O4 -","- C16 H32 Br12 Cu6 O8 -","2","0.25","","Shi, Jinbiao; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Crystal-to-crystal transformation from a chain compound to a layered coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","89","92","10.1039/c5dt03985a","","","0.71073","MoKα","","0.0413","0.0393","","","0.095","0.0962","","","","","","1.151","","","","has coordinates","176117","2020-10-21","18:00:00",""
"7037241","12.012","0.005","18.204","0.008","18.855","0.008","90","","90","","90","","4123","3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[1,1'-(pyridine-2,6-diyl)bis{N-[2,6-di(pentan-3-yl)phenyl]ethan-1-imine}]iron","","- C41 H59 Cl2 Fe N3 -","- C41 H59 Cl2 Fe N3 -","- C164 H236 Cl8 Fe4 N12 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.0795","0.0713","","","0.119","0.1231","","","","","","1.113","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037242","16.951","0.004","22.374","0.006","13.224","0.003","90","","90","","90","","5015","2","93","","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H75 Cl4 Fe2 N3 O -","- C49 H75 Cl4 Fe2 N3 O -","- C196 H300 Cl16 Fe8 N12 O4 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.0779","0.0695","","","0.1094","0.113","","","","","","1.122","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037243","10.126","0.006","15.208","0.009","25.208","0.015","90","","90","","90","","3882","4","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[1,1'-(pyridine-2,6-diyl)bis{N-[2-methyl-6-(pentan-3-yl)phenyl]ethane-1-imine}]iron","","- C35 H47 Cl6 Fe N3 -","- C35 H47 Cl6 Fe N3 -","- C140 H188 Cl24 Fe4 N12 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.1078","0.0919","","","0.2268","0.2461","","","","","","1.116","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037249","13.0174","0.0003","13.2673","0.0002","6.1849","0.0002","90","","90","","90","","1068.17","0.05","293","2","293","2","","","","","","","","4","P m m n :1","P 2 2ab -1ab","59","","","","- As2 Cs2 O9 U -","- As2 Cs2 O9 U -","- As8 Cs8 O36 U4 -","4","0.5","","Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.","Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20735","20744","10.1039/c5dt03842a","","","0.71073","MoKα","","0.0367","0.0248","","","0.0975","0.1165","","","","","","0.804","","","","has coordinates","171244","2020-10-21","18:00:00",""
"7037250","6.8433","0.0006","9.8898","0.0009","13.7565","0.0014","72.363","0.009","88.882","0.008","83.831","0.007","882.04","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- As2 Cs O9 U -","- As2 Cs O9 U -","- As8 Cs4 O36 U4 -","4","2","","Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.","Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20735","20744","10.1039/c5dt03842a","","","0.71073","MoKα","","0.0798","0.0515","","","0.1026","0.1212","","","","","","1.05","","","","has coordinates","171244","2020-10-21","18:00:00",""
"7037251","21.269","0.005","11.812","0.005","10.735","0.005","90","0.005","100.11","0.005","90","0.005","2655.1","1.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- As2 Cs O9 U -","- As2 Cs O9 U -","- As24 Cs12 O108 U12 -","12","1.5","","Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.","Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20735","20744","10.1039/c5dt03842a","","","0.71073","MoKα","","0.0746","0.0579","","","0.0894","0.0942","","","","","","1.262","","","","has coordinates","171244","2020-10-21","18:00:00",""
"7037252","6.7984","0.0002","9.8513","0.0003","20.5988","0.0006","77.494","0.002","82.15","0.002","84.03","0.002","1330.25","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- As2 Cs O9.17 U -","- As2 Cs O9.16667 U -","- As12 Cs6 O55 U6 -","6","6","","Yu, Na; Kegler, Philip; Klepov, Vladislav V.; Dellen, Jakob; Schlenz, Hartmut; Langer, Eike M.; Bosbach, Dirk; Alekseev, Evgeny V.","Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20735","20744","10.1039/c5dt03842a","","","0.71073","MoKα","","0.0404","0.0351","","","0.0989","0.1062","","","","","","0.772","","","","has coordinates","171244","2020-10-21","18:00:00",""
"7037258","10.346","0.001","10.356","0.001","10.67","0.001","90","","90.978","0.001","90","","1143.05","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cr N O3 Pd -","- C27 H25 Cr N O3 Pd -","- C54 H50 Cr2 N2 O6 Pd2 -","2","1","","Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","607","617","10.1039/c5dt03648h","","","0.71069","MoKα","","0.0304","0.0292","","","0.0698","0.0712","","","","","","0.998","","","","has coordinates","176002","2020-10-21","18:00:00",""
"7037259","7.6062","0.0004","9.353","0.0005","17.0014","0.0009","103.793","0.001","100.439","0.001","98.617","0.001","1131.34","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cr2 N2 O6 Pd2 -","- C44 H40 Cr2 N2 O6 Pd2 -","- C44 H40 Cr2 N2 O6 Pd2 -","1","0.5","","Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","607","617","10.1039/c5dt03648h","","","0.71073","MoKα","","0.0464","0.0325","","","0.0753","0.0783","","","","","","1.025","","","","has coordinates","176002","2020-10-21","18:00:00",""
"7037260","9.0689","0.001","20.282","0.003","14.2127","0.0016","90","","105.006","0.007","90","","2525.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cr2 N O6 Pd -","- C30 H19 Cr2 N O6 Pd -","- C120 H76 Cr8 N4 O24 Pd4 -","4","1","","Werlé, Christophe; Anstine, Dylan M.; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","New Pd(ii) hemichelates devoid of incipient bridging COPd interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","607","617","10.1039/c5dt03648h","","","0.71073","MoKα","","0.1935","0.0752","","","0.1673","0.2241","","","","","","1.026","","","","has coordinates","176002","2020-10-21","18:00:00",""
"7037281","11.9109","0.0003","14.3578","0.0003","22.283","0.0006","90","","113.733","0.002","90","","3488.44","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H28 B8 Co10 In2 O68 -","- C72 H28 B8 Co10 In2 O68 -","- C72 H28 B8 Co10 In2 O68 -","1","0.25","","Li, Sa-Ying; Liu, Zhi-Hong","Co5In(BTC)4[B2O4(OH)]2: the first MOF material constructed by borate polyanions and carboxylate mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","66","69","10.1039/c5dt03535j","","","0.71073","MoKα","","0.0445","0.0346","","","0.091","0.0937","","","","","","0.976","","","","has coordinates,has disorder","176107","2020-10-21","18:00:00",""
"7037282","30.7488","0.0008","30.7488","0.0008","11.8199","0.0004","90","","90","","120","","9678.3","0.5","180","2","180","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C18 H18 N3 P -","- C18 H18 N3 P -","- C432 H432 N72 P24 -","24","1.33333","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0306","0.0275","","","0.0719","0.0742","","","","","","1.048","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037283","15.7876","0.0006","15.7876","0.0006","11.1637","0.0005","90","","90","","120","","2409.74","0.17","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H9 Br3 N3 P -","- C15 H9 Br3 N3 P -","- C90 H54 Br18 N18 P6 -","6","0.333333","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0392","0.0331","","","0.0609","0.0624","","","","","","1.094","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037284","17.6327","0.0009","20.0111","0.0011","19.8093","0.001","90","","91.836","0.002","90","","6986.1","0.6","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F6 Fe N6 O6 P2 S2 -","- C32 H24 F6 Fe N6 O6 P2 S2 -","- C256 H192 F48 Fe8 N48 O48 P16 S16 -","8","2","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0519","0.0393","","","0.0939","0.1017","","","","","","1.018","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037285","8.0155","0.0003","10.7101","0.0004","15.0458","0.0006","98.595","0.002","99.108","0.002","91.742","0.002","1259.09","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Cl2 Fe N3 P -","- C25 H26 Cl2 Fe N3 P -","- C50 H52 Cl4 Fe2 N6 P2 -","2","1","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0585","0.0446","","","0.0921","0.0981","","","","","","1.063","","","","has coordinates,has disorder","176114","2020-10-21","18:00:00",""
"7037286","13.7879","0.0004","8.6473","0.0002","22.5638","0.0006","90","","95.0326","0.0012","90","","2679.87","0.12","180","2","180","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cl F3 Fe N3 O4 P S -","- C23 H26 Cl F3 Fe N3 O4 P S -","- C92 H104 Cl4 F12 Fe4 N12 O16 P4 S4 -","4","1","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.0424","0.0359","","","0.0889","0.0935","","","","","","1.06","","","","has coordinates,has disorder","176114","2020-10-21","18:00:00",""
"7037287","8.2686","0.0005","14.9441","0.0009","14.9496","0.0008","78.976","0.002","80.942","0.002","84.159","0.002","1785.67","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 F12 N7 P3 -","- C26 H30 Cu2 F12 N7 P3 -","- C52 H60 Cu4 F24 N14 P6 -","2","1","","Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.","Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","276","283","10.1039/c5dt04155d","","","1.54178","CuKα","","0.054","0.0487","","","0.1255","0.1301","","","","","","1.028","","","","has coordinates","176114","2020-10-21","18:00:00",""
"7037288","9.4205","0.0005","11.9369","0.0011","13.5029","0.0011","68.758","0.008","77.535","0.005","84.902","0.006","1381.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl N4 O9 V -","- C26 H27 Cl N4 O9 V -","- C52 H54 Cl2 N8 O18 V2 -","2","1","","Banerjee, Samya; Dixit, Akanksha; Karande, Anjali A.; Chakravarty, Akhil R.","Endoplasmic reticulum targeting tumour selective photocytotoxic oxovanadium(iv) complexes having vitamin-B6 and acridinyl moieties.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","783","796","10.1039/c5dt03412d","","","0.71073","MoKα","","0.0862","0.0578","","","0.1246","0.1439","","","","","","1.036","","","","has coordinates","176001","2020-10-21","18:00:00",""
"7037289","11.4384","0.001","13.653","0.0012","15.6328","0.0013","90","","100.74","0.003","90","","2398.6","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F6 N5 O2 P V -","- C22 H20 F6 N5 O2 P V -","- C88 H80 F24 N20 O8 P4 V4 -","4","1","","Banerjee, Samya; Dixit, Akanksha; Karande, Anjali A.; Chakravarty, Akhil R.","Endoplasmic reticulum targeting tumour selective photocytotoxic oxovanadium(iv) complexes having vitamin-B6 and acridinyl moieties.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","783","796","10.1039/c5dt03412d","","","0.71073","MoKα","","0.092","0.0618","","","0.163","0.1877","","","","","","1.045","","","","has coordinates","176001","2020-10-21","18:00:00",""
"7037290","9.64716","0.00011","21.6495","0.0002","11.66228","0.00013","90","","91.649","0.001","90","","2434.73","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O3 Si3 -","- C24 H30 O3 Si3 -","- C96 H120 O12 Si12 -","4","1","","Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","198","207","10.1039/c5dt04208a","","","0.7107","MoKα","","0.0347","0.0324","","","0.0861","0.0874","","","","","","1.122","","","","has coordinates","176115","2020-10-21","18:00:00",""
"7037291","21.5592","0.0002","7.97338","0.00008","28.7174","0.0003","90","","90","","90","","4936.51","0.08","100","0.1","100","0.1","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.5 H27 Cl3 Si3 -","- C21 H21 Cl3 Si3 -","- C168 H168 Cl24 Si24 -","8","0.5","","Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","198","207","10.1039/c5dt04208a","","x-ray","1.54184","CuKα","","0.0315","0.0294","","","0.0826","0.0842","","","","","","1.08","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7037292","10.5439","0.0003","13.7178","0.0007","14.6783","0.0006","94.574","0.004","100.085","0.003","100.821","0.004","2039.11","0.15","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 Si3 -","- C21 H24 Si3 -","- C84 H96 Si12 -","4","2","","Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","198","207","10.1039/c5dt04208a","","x-ray","0.71073","MoKα","","0.1046","0.0516","","","0.1225","0.1338","","","","","","0.894","","","","has coordinates","176115","2020-10-21","18:00:00",""
"7037293","19.9247","0.0005","10.2169","0.0003","12.3529","0.0004","90","","107.103","0.003","90","","2403.46","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Si3 -","- C27 H24 Si3 -","- C108 H96 Si12 -","4","1","","Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","198","207","10.1039/c5dt04208a","","x-ray","1.54184","CuKα","","0.0434","0.0422","","","0.1141","0.116","","","","","","1.11","","","","has coordinates","176115","2020-10-21","18:00:00",""
"7037294","12.0812","0.0003","12.9431","0.0003","14.3806","0.0003","98.2779","0.0011","99.9999","0.001","90.2522","0.0012","2190.44","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H59 F6 N4 O P Ru -","- C46 H59 F6 N4 O P Ru -","- C92 H118 F12 N8 O2 P2 Ru2 -","2","1","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.041","0.0371","","","0.096","0.099","","","","","","1.028","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037295","11.0661","0.0006","18.858","0.001","18.9389","0.001","110.994","0.002","102.836","0.002","97.069","0.002","3507.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H48 Cl3 N2 O0.5 Ru Si -","- C34 H48 Cl3 N2 O0.5 Ru Si -","- C136 H192 Cl12 N8 O2 Ru4 Si4 -","4","2","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.0768","0.0491","","","0.1171","0.1294","","","","","","1.047","","","","has coordinates,has disorder","176118","2020-10-21","18:00:00",""
"7037296","9.7104","0.0005","19.1394","0.0011","18.2255","0.001","90","","90","","90","","3387.2","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33 H44 Cl2 N2 Ru Si -","- C33 H44 Cl2 N2 Ru Si -","- C132 H176 Cl8 N8 Ru4 Si4 -","4","0.5","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.0401","0.0339","","","0.0746","0.079","","","","","","1.031","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037297","19.0229","0.0007","19.7991","0.0005","19.6305","0.0007","90","","113.641","0.004","90","","6773.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 Cl N2 Ru Si -","- C34 H49 Cl N2 Ru Si -","- C272 H392 Cl8 N16 Ru8 Si8 -","8","2","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.094","0.0522","","","0.0909","0.1083","","","","","","0.993","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037298","10.098","0.0004","16.7278","0.0006","20.629","0.0007","93.744","0.003","94.745","0.003","91.931","0.003","3462.6","0.2","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N2 Ru Si -","- C38 H50 N2 Ru Si -","- C152 H200 N8 Ru4 Si4 -","4","2","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.0987","0.0619","","","0.1363","0.1544","","","","","","1.0567","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037299","10.2931","0.0002","16.9562","0.0003","20.973","0.0004","90","","97.4911","0.0011","90","","3629.22","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H52 N2 Ru Si -","- C39 H52 N2 Ru Si -","- C156 H208 N8 Ru4 Si4 -","4","1","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.0377","0.0302","","","0.0704","0.0736","","","","","","1.065","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037300","10.4447","0.0012","12.3858","0.0014","15.332","0.0018","95.821","0.006","99.541","0.006","104.375","0.006","1873.5","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 Ru Si -","- C40 H54 N2 Ru Si -","- C80 H108 N4 Ru2 Si2 -","2","1","","Mai, Van Hung; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.","NHC carbene supported half-sandwich hydridosilyl complexes of ruthenium: the impact of supporting ligands on SiH interligand interactions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","208","215","10.1039/c5dt04067a","","","0.71073","MoKα","","0.1858","0.1499","","","0.3379","0.3605","","","","","","1.216","","","","has coordinates","176118","2020-10-21","18:00:00",""
"7037301","7.9093","0.0004","16.4319","0.0008","16.0856","0.001","90","","103.852","0.006","90","","2029.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Naphtylpyridine)Chloro(p-cymene)(ruthenium)","","- C25 H24 Cl N Ru -","- C25 H24 Cl N Ru -","- C100 H96 Cl4 N4 Ru4 -","4","1","","Kondrashov, Mikhail; Provost, David; Wendt, Ola F.","Regioselectivity in C-H activation: reagent control in cyclometallation of 2-(1-naphthyl)-pyridine.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","525","531","10.1039/c5dt04068j","","","0.71073","MoKα","","0.0677","0.0435","","","0.1022","0.114","","","","","","1.072","","","","has coordinates","175989","2020-10-21","18:00:00",""
"7037302","7.9355","0.0005","19.5025","0.0011","8.0301","0.0005","90","","111.383","0.007","90","","1157.21","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(naphtylpyridine)borondifluoride","","- C15 H10 B F2 N -","- C15 H10 B F2 N -","- C60 H40 B4 F8 N4 -","4","1","","Kondrashov, Mikhail; Provost, David; Wendt, Ola F.","Regioselectivity in C-H activation: reagent control in cyclometallation of 2-(1-naphthyl)-pyridine.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","525","531","10.1039/c5dt04068j","","","0.71073","MoKα","","0.0589","0.0495","","","0.1314","0.1392","","","","","","1.049","","","","has coordinates","175989","2020-10-21","18:00:00",""
"7037303","12.1432","0.0001","30.0046","0.0004","11.1295","0.0001","90","","92.439","0.001","90","","4051.38","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(ppy)2Ir(tmBBI)](DNBA)","","","- C47 H37 Ir N8 O6 -","- C47 H37 Ir N8 O6 -","- C188 H148 Ir4 N32 O24 -","4","1","","Rommel, S. A.; Sorsche, D.; Rau, S.","A supramolecular H-bond driven light switch sensor for small anions.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","74","77","10.1039/c5dt04152j","","x-ray","1.54178","CuKα","","0.0299","0.0239","","","0.054","0.0564","","","","","","1.052","","","","has coordinates","176108","2020-10-21","18:00:00",""
"7037304","5.5342","0.0004","7.6706","0.0006","9.2374","0.0007","96.505","0.005","93.818","0.004","109.733","0.004","364.42","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu O16 S2 Sb6 -","- Cu O16 S2 Sb6 -","- Cu O16 S2 Sb6 -","1","0.5","","Zimmermann, Iwan; Kremer, Reinhard K.; Hu, Shichao; Johnsson, Mats","Synthesis, crystal structure and magnetic properties of a new copper oxo-antimony sulphate CuSb6O8(SO4)2.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","392","396","10.1039/c5dt04157k","","","0.71073","MoKα","","0.043","0.0339","","","0.0828","0.0858","","","","","","1.257","","","","has coordinates","176113","2020-10-21","18:00:00",""
"7037310","15.5675","0.0003","14.3374","0.0003","35.8081","0.0008","90","","100.401","0.0012","90","","7860.9","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H66 Bi Cl6 O8 Rh -","- C81 H62 Bi Cl2 O8 Rh -","- C324 H248 Bi4 Cl8 O32 Rh4 -","4","1","","Sunderland, Travis L.; Berry, John F.","Expanding the family of heterobimetallic Bi-Rh paddlewheel carboxylate complexes via equatorial carboxylate exchange.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","50","55","10.1039/c5dt03740a","","x-ray","1.54178","CuKα","","0.0448","0.0422","","","0.0952","0.0964","","","","","","1.181","","","","has coordinates","288193","2023-12-08","17:12:23",""
"7037311","9.1058","0.0004","21.8162","0.0009","14.349","0.0006","90","","97.908","0.001","90","","2823.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl Mn N6 O4 S2 -","- C22 H31 Cl Mn N6 O4 S2 -","- C88 H124 Cl4 Mn4 N24 O16 S8 -","4","1","","Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis","Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","742","752","10.1039/c5dt03659c","","","0.71073","MoKα","","0.0456","0.0331","","","0.0849","0.0933","","","","","","1.02","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7037312","11.1317","0.0017","24.757","0.004","17.083","0.003","90","","93.1","0.002","90","","4701","1.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C48 H54 B Cl Mn2 N4 O7 -","- C48 H54 B Cl Mn2 N4 O7 -","- C192 H216 B4 Cl4 Mn8 N16 O28 -","4","1","","Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis","Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","742","752","10.1039/c5dt03659c","","","0.71073","MoKα","","0.081","0.0557","","","0.1675","0.1888","","","","","","1.038","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7037313","10.058","0.003","12.348","0.003","13.366","0.004","78.53","0.02","84.51","0.03","70.55","0.02","1533.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Mn2 N7 O5 -","- C27 H37 Mn2 N7 O5 -","- C54 H74 Mn4 N14 O10 -","2","1","","Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis","Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","742","752","10.1039/c5dt03659c","","","0.71073","MoKα","","0.15","0.0731","","","0.1723","0.1953","","","","","","0.825","","","","has coordinates","175987","2020-10-21","18:00:00",""
"7037321","13.8416","0.0005","16.4056","0.0005","16.1781","0.0005","90","","103.747","0.002","90","","3568.5","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H70 Cl2 Cu2 N6 O8 P4 -","- C72 H70 Cl2 Cu2 N6 O8 P4 -","- C144 H140 Cl4 Cu4 N12 O16 P8 -","2","0.5","","Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","696","705","10.1039/c5dt03451e","","","0.71073","MoKα","","0.1772","0.0633","","","0.1245","0.1634","","","","","","0.985","","","","has coordinates","175992","2020-10-21","18:00:00",""
"7037322","30.1773","0.0007","13.1702","0.0003","23.9402","0.0005","90","","119.92","0.001","90","","8246.7","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H88 Cl4 Cu2 N6 O8 P4 -","- C81 H88 Cl4 Cu2 N6 O8 P4 -","- C324 H352 Cl16 Cu8 N24 O32 P16 -","4","0.5","","Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","696","705","10.1039/c5dt03451e","","","0.71073","MoKα","","0.1037","0.0687","","","0.209","0.2371","","","","","","1.031","","","","has coordinates,has disorder","175992","2020-10-21","18:00:00",""
"7037323","13.987","0.004","16.724","0.005","20.307","0.005","90","","127.657","0.014","90","","3760.6","1.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Cl2 Cu2 F6 N6 O8 P4 -","- C74 H68 Cl2 Cu2 F6 N6 O8 P4 -","- C148 H136 Cl4 Cu4 F12 N12 O16 P8 -","2","0.5","","Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","696","705","10.1039/c5dt03451e","","","0.71073","MoKα","","0.1131","0.0823","","","0.2061","0.2285","","","","","","1.179","","","","has coordinates","175992","2020-10-21","18:00:00",""
"7037324","19.5768","0.0011","22.4465","0.0013","31.3999","0.0019","90","","90","","90","","13798.1","1.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C74 H66 Cl0 Cu2 F6 N6 P4 -","- C74 H66 Cu2 F6 N6 P4 -","- C592 H528 Cu16 F48 N48 P32 -","8","1","","Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","696","705","10.1039/c5dt03451e","","","0.71073","MoKα","","0.1218","0.0598","","","0.1171","0.1476","","","","","","1.108","","","","has coordinates","175992","2020-10-21","18:00:00",""
"7037344","15.1089","0.0004","11.0424","0.0003","15.6517","0.0004","90","","110.411","0.001","90","","2447.36","0.11","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","Ir2","","- C48 H50 F8 Ir N4 O5 P -","- C48 H50 F8 Ir N4 O5 P -","- C96 H100 F16 Ir2 N8 O10 P2 -","2","0.5","","Liu, Chun; Yu, Hongcui; Xing, Yang; Gao, Zhanming; Jin, Zilin","Photostable ester-substituted bis-cyclometalated cationic iridium(iii) complexes for continuous monitoring of oxygen.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","734","741","10.1039/c5dt02804c","","","0.71073","MoKα","","0.0374","0.0334","","","0.0937","0.0958","","","","","","1.039","","","","has coordinates,has disorder","175982","2020-10-21","18:00:00",""
"7037346","22.2787","0.0009","6.4382","0.0003","16.0685","0.0007","90","","122.852","0.001","90","","1936.19","0.15","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cl2 F6 N4 Ni -","- C14 H26 Cl2 F6 N4 Ni -","- C56 H104 Cl8 F24 N16 Ni4 -","4","0.5","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.0448","0.0385","","","0.0951","0.0984","","","","","","1.079","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037347","8.2589","0.0008","8.5203","0.0007","9.2443","0.0008","71.903","0.004","68.416","0.003","72.718","0.003","562.54","0.09","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C14 H26 Cl2 F6 N4 Ni O8 -","- C14 H26 Cl2 F6 N4 Ni O8 -","- C14 H26 Cl2 F6 N4 Ni O8 -","1","0.5","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.0775","0.0498","","","0.1168","0.1331","","","","","","1.053","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037348","9.4281","0.0004","16.742","0.0007","17.0428","0.0006","90","","90.31","0.001","90","","2690.09","0.19","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H39.5 F6 N5 Ni O9.25 P2 -","- C16 H39.5 F6 N5 Ni O9.249 P2 -","- C64 H158 F24 N20 Ni4 O36.996 P8 -","4","1","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.0476","0.0322","","","0.0735","0.0803","","","","","","1.016","","","","has coordinates,has disorder","175988","2020-10-21","18:00:00",""
"7037349","8.7262","0.0003","25.5904","0.0015","30.9247","0.0018","90","","90","","90","","6905.7","0.6","150","2","150","2","","","","","","","synthesized by the authors","7","P b c a","-P 2ac 2ab","61","","","","- C28 H44 F6 N4 Ni O8 S2 -","- C28 H44 F6 N4 Ni O8 S2 -","- C224 H352 F48 N32 Ni8 O64 S16 -","8","1","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.1029","0.0563","","","0.106","0.1212","","","","","","1.02","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037350","9.5863","0.0006","9.4059","0.0007","11.7418","0.0008","90","","105.367","0.002","90","","1020.88","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Cl2 F6 N4 O2 -","- C14 H32 Cl2 F6 N4 O2 -","- C28 H64 Cl4 F12 N8 O4 -","2","0.5","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.0354","0.0324","","","0.0787","0.0814","","","","","","1.039","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037351","7.3372","0.0002","11.5789","0.0003","17.6946","0.0004","85.446","0.001","88.825","0.001","80.982","0.001","1479.96","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C16 H37 Br4 F6 N4 O6.5 P2 -","- C16 H36 Br4 F6 N4 O6 P2 -","- C32 H72 Br8 F12 N8 O12 P4 -","2","1","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.0381","0.0268","","","0.0561","0.0581","","","","","","1.066","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037363","17.6665","0.0005","22.7226","0.0006","8.5749","0.0003","90","","118.32","0.001","90","","3030.22","0.16","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8.98 La O8.99 S2 -","- C10 H8.98 La O8.99 S2 -","- C80 H71.84 La8 O71.92 S16 -","8","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.0667","0.0433","","","0.1021","0.1071","","","","","","0.931","","","","has coordinates,has disorder","175998","2020-10-21","18:00:00",""
"7037364","17.5398","0.0006","22.5802","0.0007","8.5187","0.0003","90","","118.427","0.002","90","","2967.05","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Nd O9 S2 -","- C10 H9 Nd O9 S2 -","- C80 H72 Nd8 O72 S16 -","8","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.0695","0.0461","","","0.1097","0.1152","","","","","","0.931","","","","has coordinates,has disorder","175998","2020-10-21","18:00:00",""
"7037365","17.5594","0.0007","22.4319","0.0009","8.4604","0.0002","90","","118.585","0.002","90","","2926.27","0.19","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 O9 S2 Sm -","- C10 H9 O9 S2 Sm -","- C80 H72 O72 S16 Sm8 -","8","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.0627","0.0419","","","0.0954","0.0993","","","","","","0.941","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037366","17.5597","0.0006","22.6337","0.0007","8.5253","0.0003","90","","118.362","0.002","90","","2981.58","0.18","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 O9 Pr S2 -","- C10 H9 O9 Pr S2 -","- C80 H72 O72 Pr8 S16 -","8","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.0712","0.0473","","","0.1119","0.1168","","","","","","0.953","","","","has coordinates,has disorder","175998","2020-10-21","18:00:00",""
"7037367","9.2483","0.0014","11.9016","0.0015","12.688","0.0019","106.599","0.008","110.207","0.007","99.271","0.009","1202.5","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 N2 O11 S2 Sm -","- C22 H21 N2 O11 S2 Sm -","- C44 H42 N4 O22 S4 Sm2 -","2","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","x-ray","0.71073","MoKα","","0.0257","0.0222","","","0.0512","0.0529","","","","","","1.071","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037368","10.7422","0.0004","17.1435","0.0007","14.8397","0.0006","90","","93.001","0.002","90","","2729.12","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 La2 N4 O19 S4 -","- C52 H46 La2 N4 O19 S4 -","- C104 H92 La4 N8 O38 S8 -","2","0.5","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.1457","0.059","","","0.1085","0.1364","","","","","","1.028","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037369","9.2708","0.0002","11.9699","0.0003","12.7725","0.0003","106.589","0.001","110.161","0.002","99.377","0.001","1220.16","0.06","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 N2 O11 Pr S2 -","- C22 H21 N2 O11 Pr S2 -","- C44 H42 N4 O22 Pr2 S4 -","2","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.0499","0.0401","","","0.0936","0.0959","","","","","","0.967","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037370","9.2648","0.0003","11.9499","0.0003","12.7485","0.0005","106.629","0.002","110.177","0.002","99.313","0.002","1214.98","0.08","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 N2 Nd O11 S2 -","- C22 H21 N2 Nd O11 S2 -","- C44 H42 N4 Nd2 O22 S4 -","2","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.093","0.0511","","","0.1035","0.1204","","","","","","1.041","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037371","9.2906","0.0014","12.025","0.002","12.835","0.002","106.491","0.008","110.125","0.009","99.551","0.009","1234.4","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 La N2 O11 S2 -","- C22 H21 La N2 O11 S2 -","- C44 H42 La2 N4 O22 S4 -","2","1","","D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier","Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","646","656","10.1039/c5dt04033g","","","0.71073","MoKα","","0.071","0.0384","","","0.0788","0.0831","","","","","","0.861","","","","has coordinates","175998","2020-10-21","18:00:00",""
"7037399","31.177","0.004","15.66","0.002","20.673","0.003","90","","95.539","0.002","90","","10046","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H87 Fe4 N15 O42 Y2 -","- C82 H87 Fe4 N15 O42 Y2 -","- C328 H348 Fe16 N60 O168 Y8 -","4","0.5","","Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe4Dy2 →Fe6Dy3.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","98","106","10.1039/c5dt03909f","","","0.8","synchrotron","","0.0884","0.0778","","","0.2179","0.2302","","","","","","1.028","","","","has coordinates,has disorder","176106","2020-10-21","18:00:00",""
"7037400","13.8939","0.0009","16.7523","0.0012","24.8472","0.0016","81.772","0.005","83.121","0.005","85.507","0.005","5671.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H100 Dy3 Fe6 N17 O50 -","- C94 H100 Dy3 Fe6 N17 O50 -","- C188 H200 Dy6 Fe12 N34 O100 -","2","1","","Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe4Dy2 →Fe6Dy3.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","98","106","10.1039/c5dt03909f","","","0.71073","MoKα","","0.0894","0.0604","","","0.1443","0.1545","","","","","","0.969","","","","has coordinates,has disorder","176106","2020-10-21","18:00:00",""
"7037408","29.997","0.001","12.8596","0.0006","12.8188","0.0005","90","","90","","90","","4944.8","0.3","300","","300","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 Br6 I2 N12 Zn3 -","- C36 Br6 I2 N12 Zn3 -","- C144 Br24 I8 N48 Zn12 -","4","0.5","","Ohtsu, Hiroyoshi; Kawano, Masaki","Br2 induced oxidative pore modification of a porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","489","493","10.1039/c5dt04122h","powder diffraction","","1","synchrotron","","0.02119","","","","","","0.02121","0.03732","0.3111","","","","","","","has coordinates","175995","2020-10-21","18:00:00",""
"7037409","29.515","0.001","12.8865","0.0006","12.9224","0.0007","90","","90","","90","","4915","0.4","300","","300","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 Br6 N12 Zn3 -","- C36 Br6 N12 Zn3 -","- C144 Br24 N48 Zn12 -","4","0.5","","Ohtsu, Hiroyoshi; Kawano, Masaki","Br2 induced oxidative pore modification of a porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","489","493","10.1039/c5dt04122h","powder diffraction","","1","synchrotron","","0.03513","","","","","","0.04061","0.04193","0.1354","","","","","","","has coordinates","175995","2020-10-21","18:00:00",""
"7037410","29.337","0.001","12.8766","0.0008","12.8601","0.0008","90","","90.952","0.004","90","","4857.4","0.5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 Br7.98 N12 Zn3 -","- C36 Br7.976 N12 Zn3 -","- C144 Br31.904 N48 Zn12 -","4","1","","Ohtsu, Hiroyoshi; Kawano, Masaki","Br2 induced oxidative pore modification of a porous coordination network.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","489","493","10.1039/c5dt04122h","powder diffraction","","1","synchrotron","","0.01287","","","","","","0.01391","0.02418","0.3517","","","","","","","has coordinates","175995","2020-10-21","18:00:00",""
"7037412","17.032","0.003","13.852","0.002","20.379","0.004","90","","110.152","0.005","90","","4513.6","1.4","123.2","","123.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","1-H","","- C38.5 H44 Cl F6 Fe2 N6 O8.5 S2 -","- C38.5 H42 Cl F6 Fe2 N6 O8.5 S2 -","- C154 H168 Cl4 F24 Fe8 N24 O34 S8 -","4","1","","Sekino, Mio; Furutachi, Hideki; Tasaki, Kyosuke; Ishikawa, Takanao; Mori, Shigeki; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Nomura, Takashi; Ogura, Takashi; Kitagawa, Teizo; Suzuki, Masatatsu","New mechanistic insight into intramolecular arene hydroxylation initiated by (μ-1,2-peroxo)diiron(iii) complexes with dinucleating ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","469","473","10.1039/c5dt04088d","","","0.7107","MoKα","","","0.0461","","","","0.0665","","","","","","1.224","","","","has coordinates","175997","2020-10-21","18:00:00",""
"7037413","22.486","0.005","11.386","0.003","34.356","0.007","90","","92.34","0.007","90","","8789","4","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","3-H","","- C79 H88 F12 Fe2 N12 O17 S4 -","- C79.002 H88 F12.006 Fe2 N12 O17.006 S4.002 -","- C316.008 H352 F48.024 Fe8 N48 O68.024 S16.008 -","4","0.5","","Sekino, Mio; Furutachi, Hideki; Tasaki, Kyosuke; Ishikawa, Takanao; Mori, Shigeki; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Nomura, Takashi; Ogura, Takashi; Kitagawa, Teizo; Suzuki, Masatatsu","New mechanistic insight into intramolecular arene hydroxylation initiated by (μ-1,2-peroxo)diiron(iii) complexes with dinucleating ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","469","473","10.1039/c5dt04088d","","","0.71073","MoKα","","0.0827","0.0679","","","0.1751","0.1859","","","","","","1.039","","","","has coordinates,has disorder","175997","2020-10-21","18:00:00",""
"7037416","11.2044","0.0002","13.9379","0.0002","24.6553","0.0005","74.7263","0.0015","83.9886","0.0016","73.3009","0.0016","3555.92","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H20 B Cu F18 N6 -","- C35 H20 B Cu F18 N6 -","- C140 H80 B4 Cu4 F72 N24 -","4","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.039","0.0358","","","0.0927","0.0952","","","","","","1.02","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037417","17.33337","0.00013","14.29443","0.00011","27.0397","0.00018","90","","90","","90","","6699.64","0.08","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H20 B Cl3 Cu F9 N6 -","- C32 H20 B Cl3 Cu F9 N6 -","- C256 H160 B8 Cl24 Cu8 F72 N48 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0353","0.0342","","","0.0938","0.0947","","","","","","1.039","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037418","10.98962","0.0001","13.10766","0.0001","21.50728","0.00016","90","","91.0237","0.0007","90","","3097.59","0.04","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 B Cu F12 N6 -","- C32 H20 B Cu F12 N6 -","- C128 H80 B4 Cu4 F48 N24 -","4","1","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0318","0.0296","","","0.0776","0.0792","","","","","","1.04","","","","has coordinates","171150","2020-10-21","18:00:00",""
"7037419","17.25818","0.00018","14.2814","0.00011","28.109","0.0003","90","","90","","90","","6928.05","0.12","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H27 B Cu F9 N6 O3 -","- C35 H27 B Cu F9 N6 O3 -","- C280 H216 B8 Cu8 F72 N48 O24 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.039","0.0369","","","0.1027","0.1043","","","","","","1.055","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037420","13.5401","0.00009","26.17486","0.00019","19.93841","0.00015","90","","97.7916","0.0007","90","","7001.14","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H16 B Cu F18 N6 O -","- C34 H16 B Cu F18 N6 O -","- C272 H128 B8 Cu8 F144 N48 O8 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0374","0.0332","","","0.0853","0.088","","","","","","1.032","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037421","26.7585","0.0002","15.10355","0.00013","17.2707","0.00015","90","","108.806","0.0009","90","","6607.32","0.1","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H16 B Cl3 Cu F9 N6 O -","- C31 H16 B Cl3 Cu F9 N6 O -","- C248 H128 B8 Cl24 Cu8 F72 N48 O8 -","8","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0333","0.03","","","0.0808","0.0836","","","","","","1.031","","","","has coordinates","171150","2020-10-21","18:00:00",""
"7037422","13.98309","0.00014","13.98309","0.00014","29.4298","0.0003","90","","90","","120","","4983.38","0.09","110","2","110","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C31 H16 B Cu F12 N6 O -","- C31 H16 B Cu F12 N6 O -","- C186 H96 B6 Cu6 F72 N36 O6 -","6","0.333333","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0202","0.0201","","","0.0587","0.0588","","","","","","1.058","","","","has coordinates","171150","2020-10-21","18:00:00",""
"7037423","14.7235","0.0002","14.8744","0.0002","16.4814","0.0004","70.1798","0.0018","88.5315","0.0017","89.3415","0.0013","3394.53","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H25 B Cu F9 N6 O4 -","- C34 H25 B Cu F9 N6 O4 -","- C136 H100 B4 Cu4 F36 N24 O16 -","4","2","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0538","0.0428","","","0.1393","0.166","","","","","","1.016","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037424","9.32258","0.0001","23.3536","0.0003","15.70665","0.00018","90","","97.3724","0.001","90","","3391.32","0.07","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 B F9 N9 Na O7 -","- C30 H18 B F9 N9 Na O7 -","- C120 H72 B4 F36 N36 Na4 O28 -","4","1","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0459","0.0374","","","0.0941","0.1012","","","","","","1.028","","","","has coordinates","171150","2020-10-21","18:00:00",""
"7037425","11.2747","0.0002","12.5762","0.0003","14.4865","0.0003","109.484","0.002","104.948","0.002","102.991","0.002","1758.61","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H36 B2 F36 N12 Na2 O2 -","- C66 H36 B2 F36 N12 Na2 O2 -","- C66 H36 B2 F36 N12 Na2 O2 -","1","0.5","","van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth","Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21109","21123","10.1039/c5dt04006j","","","1.54178","CuKα","","0.0377","0.035","","","0.0867","0.0891","","","","","","1.022","","","","has coordinates,has disorder","171150","2020-10-21","18:00:00",""
"7037449","10.7622","0.0011","12.8238","0.0012","13.4282","0.0012","114.432","0.003","100.558","0.003","93.044","0.003","1641.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H35 Cl2 I N4 O Pd -","- C33 H35 Cl2 I N4 O Pd -","- C66 H70 Cl4 I2 N8 O2 Pd2 -","2","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","0.71073","MoKα","","0.0369","0.0256","","","0.0519","0.0552","","","","","","1.036","","","","has coordinates","175985","2020-10-21","18:00:00",""
"7037460","13.7363","0.0014","7.2021","0.0005","24.651","0.003","90","","98.952","0.01","90","","2409","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N5 O3 S2 -","- C25 H21 N5 O3 S2 -","- C100 H84 N20 O12 S8 -","4","1","","Bansal, Deepak; Gupta, Rajeev","Chemosensors containing appended benzothiazole group(s): selective binding of Cu(2+) and Zn(2+) ions by two related receptors.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","502","507","10.1039/c5dt03669k","","","0.71073","MoKα","","0.1625","0.0725","","","0.0827","0.1079","","","","","","0.968","","","","has coordinates","176003","2020-10-21","18:00:00",""
"7037461","6.075","0.005","12.054","0.005","26.823","0.005","90","0.005","90","0.005","90","0.005","1964.2","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 Cl0 Cu N5 O3 S2 -","- C21 H13 Cu N5 O3 S2 -","- C84 H52 Cu4 N20 O12 S8 -","4","1","","Bansal, Deepak; Gupta, Rajeev","Chemosensors containing appended benzothiazole group(s): selective binding of Cu(2+) and Zn(2+) ions by two related receptors.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","502","507","10.1039/c5dt03669k","","","0.71073","MoKα","","0.0307","0.029","","","0.0722","0.073","","","","","","1.106","","","","has coordinates","176003","2020-10-21","18:00:00",""
"7037462","12.145","0.005","7.935","0.005","19.78","0.005","90","","113.505","0.016","90","","1748","1.4","298","2","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N6 O12 S2 Zn -","- C26 H22 Cl2 N6 O12 S2 Zn -","- C52 H44 Cl4 N12 O24 S4 Zn2 -","2","0.5","","Bansal, Deepak; Gupta, Rajeev","Chemosensors containing appended benzothiazole group(s): selective binding of Cu(2+) and Zn(2+) ions by two related receptors.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","502","507","10.1039/c5dt03669k","","","0.71073","MoKα","","0.161","0.1232","","","0.3315","0.3509","","","","","","1.156","","","","has coordinates,has disorder","176003","2020-10-21","18:00:00",""
"7037463","16.9326","0.0002","10.5984","0.0001","25.6239","0.0004","90","","99.4547","0.0006","90","","4535.96","0.1","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 N3 O2 Zn -","- C29 H19 N3 O2 Zn -","- C232 H152 N24 O16 Zn8 -","8","1","","Kelsey, Rachael A.; Miller, David A.; Parkin, Sean R.; Liu, Kun; Remias, Joe E.; Yang, Yue; Lightstone, Felice C.; Liu, Kunlei; Lippert, Cameron A.; Odom, Susan A.","Carbonic anhydrase mimics for enhanced CO2 absorption in an amine-based capture solvent.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","324","333","10.1039/c5dt02943k","","","0.71073","MoKα","","0.0488","0.0383","","","0.0885","0.0938","","","","","","1.042","","","","has coordinates","176104","2020-10-21","18:00:00",""
"7037464","30.684","0.0005","19.1772","0.0003","19.8222","0.0003","90","","127.333","0.001","90","","9274.4","0.3","90","0.2","90","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cl F3 N4 O6 Zn3 -","- C50 H28 Cl F3 N4 O6 Zn3 -","- C400 H224 Cl8 F24 N32 O48 Zn24 -","8","1","","Kelsey, Rachael A.; Miller, David A.; Parkin, Sean R.; Liu, Kun; Remias, Joe E.; Yang, Yue; Lightstone, Felice C.; Liu, Kunlei; Lippert, Cameron A.; Odom, Susan A.","Carbonic anhydrase mimics for enhanced CO2 absorption in an amine-based capture solvent.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","324","333","10.1039/c5dt02943k","","","1.54178","CuKα","","0.055","0.0423","","","0.1129","0.1194","","","","","","1.06","","","","has coordinates","176104","2020-10-21","18:00:00",""
"7037467","23.2672","0.0006","14.4735","0.0002","22.2443","0.0007","90","","114.73","0.001","90","","6803.9","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Cl N2 Rh -","- C38 H46 Cl N2 Rh -","- C304 H368 Cl8 N16 Rh8 -","8","1","","Paradiso, Veronica; Bertolasi, Valerio; Costabile, Chiara; Grisi, Fabia","Ruthenium olefin metathesis catalysts featuring unsymmetrical N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","561","571","10.1039/c5dt03758a","","","0.71073","MoKα","","0.0823","0.0501","","","0.1236","0.1393","","","","","","1.042","","","","has coordinates","176004","2020-10-21","18:00:00",""
"7037468","15.1213","0.0005","11.1057","0.0003","20.3596","0.0007","90","","90","","90","","3419.04","0.19","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N2 Rh -","- C38 H46 Cl N2 Rh -","- C152 H184 Cl4 N8 Rh4 -","4","1","","Paradiso, Veronica; Bertolasi, Valerio; Costabile, Chiara; Grisi, Fabia","Ruthenium olefin metathesis catalysts featuring unsymmetrical N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","561","571","10.1039/c5dt03758a","","","0.71073","MoKα","","0.09","0.0724","","","0.1686","0.1807","","","","","","1.051","","","","has coordinates,has disorder","176004","2020-10-21","18:00:00",""
"7037476","13.667","0.003","16.679","0.003","20.152","0.004","74.769","0.003","86.755","0.003","88.903","0.003","4425.2","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H19 Br16 F30 Fe2 N10 O2 -","- C84 H19 Br16 F30 Fe2 N10 O2 -","- C168 H38 Br32 F60 Fe4 N20 O4 -","2","1","","Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Gagnon, Kevin J.; Beavers, Christine M.; Vazquez-Lima, Hugo; Ghosh, Abhik","Ligand noninnocence in FeNO corroles: insights from β-octabromocorrole complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","681","689","10.1039/c5dt03947a","","","0.7749","synchrotron","","0.11","0.0702","","","0.1847","0.2084","","","","","","1.056","","","","has coordinates","175990","2020-10-21","18:00:00",""
"7037497","13.6865","0.0007","20.7791","0.0012","27.4127","0.0014","90","","102.717","0.003","90","","7604.7","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C102.8 H137.6 Ag2 Al2 Cl17.6 F48 O8 P8 -","- C102.811 H137.623 Ag2 Al2 Cl17.6228 F48 O8 P8 -","- C205.623 H275.246 Ag4 Al4 Cl35.2456 F96 O16 P16 -","2","0.5","","Bresien, Jonas; Schulz, Axel; Villinger, Alexander","Low temperature isolation of a dinuclear silver complex of the cyclotetraphosphane [ClP(μ-PMes*)]2.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","498","501","10.1039/c5dt03928b","","","0.71073","MoKα","","0.0993","0.0557","","","0.1235","0.1461","","","","","","1.1","","","","has coordinates,has disorder","175986","2020-10-21","18:00:00",""
"7037501","11.1036","0.0004","6.9087","0.0002","14.7366","0.0005","90","","101.072","0.0013","90","","1109.42","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-6-methyl-2-(p-tolyl)-4H-pyran-4-thione","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0397","0.0331","","","0.0915","0.0965","","","","","","1.038","","","","has coordinates","175996","2020-10-21","18:00:00",""
"7037502","15.599","0.0004","17.1726","0.0004","15.8584","0.0004","90","","94.3445","0.001","90","","4235.87","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{3-(oxo-?O)-6-methyl-2-(p-tolyl)-pyran-4(1H)-thionato-?S}(?6-p-cymene)ruthenium(II)","","- C23 H25 Cl O2 Ru S -","- C23 H25 Cl O2 Ru S -","- C184 H200 Cl8 O16 Ru8 S8 -","8","2","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0413","0.0322","","","0.0761","0.0804","","","","","","1.033","","","","has coordinates","175996","2020-10-21","18:00:00",""
"7037503","8.087","0.0005","8.4811","0.0004","30.4205","0.0017","90","","90","","90","","2086.4","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Chlorido{3-(oxo-?O)-2(-4-fluorophenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)","","- C22 H23 Cl F O2 Rh S -","- C22 H23 Cl F O2 Rh S -","- C88 H92 Cl4 F4 O8 Rh4 S4 -","4","1","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0333","0.0254","","","0.0515","0.0553","","","","","","1.093","","","","has coordinates,has disorder","175996","2020-10-21","18:00:00",""
"7037504","27.7598","0.001","8.3099","0.0003","22.7034","0.0009","90","","105.232","0.0011","90","","5053.2","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido{3-(oxo-?O)-2-(4-methoxyphenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?5-1,2,3,4,5 pentamethylcyclopentadienyl) rhodium(III)","","- C26 H33 Cl O3 Rh S -","- C26 H33 Cl O3 Rh S -","- C208 H264 Cl8 O24 Rh8 S8 -","8","1","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0227","0.0206","","","0.0516","0.0529","","","","","","1.059","","","","has coordinates","175996","2020-10-21","18:00:00",""
"7037505","12.9626","0.0004","13.7228","0.0005","14.0458","0.0005","94.2722","0.0013","107.027","0.0012","107.929","0.0012","2235.44","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","Chlorido{3-(oxo-?O) 2-(4-methoxyphenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?6-p-cymene)ruthenium(II)","","- C23 H25 Cl O3 Ru S -","- C23 H25 Cl O3 Ru S -","- C92 H100 Cl4 O12 Ru4 S4 -","4","2","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0308","0.0256","","","0.0643","0.0666","","","","","","1.041","","","","has coordinates,has disorder","175996","2020-10-21","18:00:00",""
"7037517","13.905","0.004","15.277","0.005","26.166","0.006","90","","111.889","0.012","90","","5158","3","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Dy2 N4 O12 S6 -","- C50 H34 Dy2 N4 O12 S6 -","- C200 H136 Dy8 N16 O48 S24 -","4","1","","Chen, Zhi; Fang, Ming; Kang, Xiao-Min; Hou, Yin-Ling; Zhao, Bin","Assembly of single molecular magnets from dinuclear to 2D Dy-compounds with significant change of relaxation energy barriers.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","85","88","10.1039/c5dt02444g","","","0.71075","MoKα","","0.0435","0.0377","","","0.0904","0.0937","","","","","","1.032","","","","has coordinates,has disorder","176101","2020-10-21","18:00:00",""
"7037518","10.198","0.0011","11.0008","0.0012","12.5285","0.0014","78.936","0.002","87.716","0.002","63.32","0.002","1230.8","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Dy2 N6 O16 S3 -","- C48 H38 Dy2 N6 O16 S3 -","- C48 H38 Dy2 N6 O16 S3 -","1","0.5","","Chen, Zhi; Fang, Ming; Kang, Xiao-Min; Hou, Yin-Ling; Zhao, Bin","Assembly of single molecular magnets from dinuclear to 2D Dy-compounds with significant change of relaxation energy barriers.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","85","88","10.1039/c5dt02444g","","","0.71073","MoKα","","0.0322","0.0258","","","0.0584","0.0625","","","","","","1.065","","","","has coordinates,has disorder","176101","2020-10-21","18:00:00",""
"7037535","11.991","0.003","14.52","0.004","16.537","0.004","68.4","0.02","69.42","0.02","84.05","0.02","2505.1","1.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H104 Cu7 Gd2 N8 O26 -","- C102 H104 Cu7 Gd2 N8 O26 -","- C102 H104 Cu7 Gd2 N8 O26 -","1","0.5","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Otręba, Marta; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Solvothermal synthesis of enneanuclear [CuLn] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19880","19885","10.1039/c5dt03542b","","","0.71073","MoKα","","0.0712","0.0447","","","0.0991","0.1046","","","","","","1.005","","","","has coordinates,has disorder","170859","2020-10-21","18:00:00",""
"7037536","12.6638","0.0006","13.4127","0.0006","14.0487","0.0005","64.404","0.004","66.875","0.004","83.7","0.004","1973.98","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H52 B N3 O2 -","- C47 H52 B N3 O2 -","- C94 H104 B2 N6 O4 -","2","1","","Chandra, Brijesh; Sathish Kumar, B.; Mondal, Navendu; Samanta, Anunay; Panda, Pradeepta K.","Hexaethylsubporphyrins: β-alkyl analogues in the subporphyrin family.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19966","19973","10.1039/c5dt03864b","","","1.54184","CuKα","","0.0587","0.0507","","","0.1298","0.1399","","","","","","1.01","","","","has coordinates","170860","2020-10-21","18:00:00",""
"7037537","8.399","0.0015","15.411","0.003","15.432","0.003","65.46","0.016","81.857","0.015","82.675","0.015","1793.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B N5 O5 -","- C34 H38 B N5 O5 -","- C68 H76 B2 N10 O10 -","2","1","","Chandra, Brijesh; Sathish Kumar, B.; Mondal, Navendu; Samanta, Anunay; Panda, Pradeepta K.","Hexaethylsubporphyrins: β-alkyl analogues in the subporphyrin family.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19966","19973","10.1039/c5dt03864b","","","1.54178","CuKα","","0.2917","0.122","","","0.3024","0.3918","","","","","","0.75","","","","has coordinates","170860","2020-10-21","18:00:00",""
"7037538","25.9224","0.0015","25.9224","0.0015","41.59","0.004","90","","90","","90","","27947","4","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C216 H288 O108 Ti26 -","- C216 H224 O108 Ti26 -","- C864 H896 O432 Ti104 -","4","","","Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie","Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19829","19835","10.1039/c5dt03153b","","","0.71075","MoKα","","0.1588","0.1167","","","0.1693","0.1873","","","","","","1.155","","","","has coordinates,has disorder","170861","2020-10-21","18:00:00",""
"7037539","25.876","0.003","25.876","0.003","43.429","0.006","90","","90","","90","","29079","6","293","2","293","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C108 H140 Cl4 O54 Ti13 -","- C108 H140 Cl4 O54 Ti13 -","- C864 H1120 Cl32 O432 Ti104 -","8","","","Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie","Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19829","19835","10.1039/c5dt03153b","","","0.71075","MoKα","","0.1579","0.1353","","","0.1891","0.199","","","","","","1.218","","","","has coordinates","170861","2020-10-21","18:00:00",""
"7037540","16.8735","0.0001","16.8735","0.0001","24.1091","0.0002","90","","90","","90","","6864.22","0.08","193","2","193","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C9 H20 Br N3 O6 Pt -","- C9 H20 Br N3 O6 Pt -","- C144 H320 Br16 N48 O96 Pt16 -","16","0.5","","Xu, Zoufeng; Wang, Zhigang; Yiu, Shek-Man; Zhu, Guangyu","Mono- and di-bromo platinum(iv) prodrugs via oxidative bromination: synthesis, characterization, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19918","19926","10.1039/c5dt03101j","","","1.54178","CuKα","","0.0384","0.0365","","","0.1124","0.1144","","","","","","1.158","","","","has coordinates,has disorder","170862","2020-10-21","18:00:00",""
"7037541","9.9096","0.0003","13.3318","0.0004","17.2606","0.0006","90","","90","","90","","2280.35","0.13","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br2 N4 O6 Pt -","- C14 H28 Br2 N4 O6 Pt -","- C56 H112 Br8 N16 O24 Pt4 -","4","1","","Xu, Zoufeng; Wang, Zhigang; Yiu, Shek-Man; Zhu, Guangyu","Mono- and di-bromo platinum(iv) prodrugs via oxidative bromination: synthesis, characterization, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19918","19926","10.1039/c5dt03101j","","","1.54178","CuKα","","0.0352","0.0336","","","0.0894","0.0908","","","","","","1.069","","","","has coordinates,has disorder","170862","2020-10-21","18:00:00",""
"7037542","18.6836","0.0009","18.6836","0.0009","18.6836","0.0009","90","","90","","90","","6522","0.5","153","2","153","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C24 H59 Ge3 In6 N4 O5.5 S17 -","- Ge3 In6 S17 -","- Ge12 In24 S68 -","4","0.166667","","Han, Xiaohui; Wang, Zhenqing; Xu, Jin; Liu, Dan; Wang, Cheng","A crown-like heterometallic unit as the building block for a 3D In-Ge-S framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19768","19771","10.1039/c5dt03556b","","","0.71073","MoKα","","0.0415","0.032","","","0.0509","0.053","","","","","","0.948","","","","has coordinates","170863","2020-10-21","18:00:00",""
"7037543","12.744","0.006","8.161","0.004","21.438","0.009","90","","92.233","0.006","90","","2227.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Co2 O18 -","- C44 H48 Co2 O18 -","- C88 H96 Co4 O36 -","2","0.5","","Liu, Zhong-Yi; Xia, Yan-Fei; Jiao, Jiao; Yang, En-Cui; Zhao, Xiao-Jun","Two water-bridged cobalt(ii) chains with isomeric naphthoate spacers: from metamagnetic to single-chain magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19927","19934","10.1039/c5dt03297k","","","0.71073","MoKα","","0.0458","0.0275","","","0.0747","0.0812","","","","","","1.051","","","","has coordinates","170864","2020-10-21","18:00:00",""
"7037544","19.851","0.004","6.3428","0.0013","8.0146","0.0017","90","","99.773","0.003","90","","994.5","0.4","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H20 Co O7 -","- C22 H20 Co O7 -","- C44 H40 Co2 O14 -","2","0.5","","Liu, Zhong-Yi; Xia, Yan-Fei; Jiao, Jiao; Yang, En-Cui; Zhao, Xiao-Jun","Two water-bridged cobalt(ii) chains with isomeric naphthoate spacers: from metamagnetic to single-chain magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19927","19934","10.1039/c5dt03297k","","","0.71073","MoKα","","0.0326","0.0287","","","0.0718","0.074","","","","","","1.062","","","","has coordinates","170864","2020-10-21","18:00:00",""
"7037545","26.8261","0.0011","10.7728","0.0004","27.9227","0.0017","90","","96.304","0.004","90","","8020.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H58.5 Cu N2 O5.5 -","- C39 H58.5 Cu N2 O5.5 -","- C312 H468 Cu8 N16 O44 -","8","2","","Kumar, Vikash; Ghosh, Somnath; Saini, Anoop Kumar; Mobin, Shaikh M.; Mondal, Biplab","Copper(ii) mediated phenol ring nitration by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19909","19917","10.1039/c5dt02318a","","","0.71073","MoKα","","0.149","0.093","","","0.233","0.2647","","","","","","1.04","","","","has coordinates,has disorder","170865","2020-10-21","18:00:00",""
"7037546","14.4864","0.0007","13.9322","0.0005","17.6786","0.0006","90","","100.459","0.004","90","","3508.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Cu N3 O6 -","- C34 H45 Cu N3 O6 -","- C136 H180 Cu4 N12 O24 -","4","1","","Kumar, Vikash; Ghosh, Somnath; Saini, Anoop Kumar; Mobin, Shaikh M.; Mondal, Biplab","Copper(ii) mediated phenol ring nitration by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19909","19917","10.1039/c5dt02318a","","","0.7107","MoKα","","0.0633","0.046","","","0.1167","0.1309","","","","","","1.043","","","","has coordinates","170865","2020-10-21","18:00:00",""
"7037547","13.375","0.0002","14.3438","0.0003","17.9158","0.0004","90","","95.88","0.002","90","","3419.03","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cu N3 O6 -","- C31 H39 Cu N3 O6 -","- C124 H156 Cu4 N12 O24 -","4","1","","Kumar, Vikash; Ghosh, Somnath; Saini, Anoop Kumar; Mobin, Shaikh M.; Mondal, Biplab","Copper(ii) mediated phenol ring nitration by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19909","19917","10.1039/c5dt02318a","","","1.5418","CuKα","","0.0732","0.0652","","","0.1813","0.197","","","","","","1.103","","","","has coordinates","170865","2020-10-21","18:00:00",""
"7037548","15.7058","0.0009","10.0428","0.0006","23.1982","0.0013","90","","92.868","0.005","90","","3654.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cu N4 O9 -","- C34 H50 Cu N4 O9 -","- C136 H200 Cu4 N16 O36 -","4","1","","Kumar, Vikash; Ghosh, Somnath; Saini, Anoop Kumar; Mobin, Shaikh M.; Mondal, Biplab","Copper(ii) mediated phenol ring nitration by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19909","19917","10.1039/c5dt02318a","","","0.71073","MoKα","","0.0983","0.0648","","","0.1446","0.164","","","","","","1.103","","","","has coordinates,has disorder","170865","2020-10-21","18:00:00",""
"7037549","18.7088","0.0009","18.7088","0.0009","38.2664","0.0014","90","","90","","120","","11599.5","0.9","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H40 Cu2 N2 O17 -","- C21 H13 Cu2 N O10 -","- C189 H117 Cu18 N9 O90 -","9","0.25","","Dang, Qin-Qin; Zhan, Yu-Fen; Duan, Li-Na; Zhang, Xian-Ming","A pyridyl-decorated MOF-505 analogue exhibiting hierarchical porosity, selective CO2 capture and catalytic capacity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","20027","20031","10.1039/c5dt01943e","","","0.71073","MoKα","","0.0409","0.033","","","0.0977","0.1013","","","","","","1.045","","","","has coordinates,has disorder","170866","2020-10-21","18:00:00",""
"7037550","10.227","0.003","19.931","0.006","19.854","0.007","90","","91.939","0.012","90","","4045","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 N Na O10 P4 S8 Zn -","- C20 H48 N Na O10 P4 S8 Zn -","- C80 H192 N4 Na4 O40 P16 S32 Zn4 -","4","1","","Meltzer, Diana; Gottlieb, Hugo E.; Amir, Aviran; Shimon, Linda J. W.; Fischer, Bilha","Novel crown-ether-methylenediphosphonotetrathioate hybrids as Zn(ii) chelators.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21073","21080","10.1039/c5dt03935e","","","1.54187","CuKα","","0.0651","0.0594","","","0.1488","0.1557","","","","","","1.052","","","","has coordinates","170867","2020-10-21","18:00:00",""
"7037551","14.3442","0.0004","14.6164","0.0003","17.0451","0.0005","66.291","0.003","88.213","0.002","84.183","0.002","3255.04","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H99.5 Mn8 N8.5 Nd4 O51.5 -","- C117 H94 Mn8 N8 Nd4 O51 -","- C117 H94 Mn8 N8 Nd4 O51 -","1","0.5","","Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng","Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20964","20971","10.1039/c5dt03130c","","","0.71073","MoKα","","0.0526","0.0395","","","0.1002","0.1076","","","","","","1.037","","","","has coordinates,has disorder","170868","2020-10-21","18:00:00",""
"7037552","14.3312","0.0006","14.5625","0.0004","17.0155","0.0005","66.29","0.003","88.429","0.003","84.12","0.003","3233.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H103 Gd4 Mn8 N9 O52 -","- C117 H94 Gd4 Mn8 N8 O51 -","- C117 H94 Gd4 Mn8 N8 O51 -","1","0.5","","Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng","Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20964","20971","10.1039/c5dt03130c","","","1.54184","CuKα","","0.0547","0.0442","","","0.1105","0.1165","","","","","","0.9","","","","has coordinates,has disorder","170868","2020-10-21","18:00:00",""
"7037553","14.3363","0.0005","14.5705","0.0005","17.0212","0.0006","66.132","0.003","88.435","0.003","84.285","0.003","3235","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H103 Dy4 Mn8 N9 O52 -","- C117 H94 Dy4 Mn8 N8 O51 -","- C117 H94 Dy4 Mn8 N8 O51 -","1","0.5","","Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng","Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20964","20971","10.1039/c5dt03130c","","","1.54184","CuKα","","0.0545","0.0448","","","0.1147","0.1198","","","","","","1.037","","","","has coordinates,has disorder","170868","2020-10-21","18:00:00",""
"7037554","18.6267","0.0004","26.5079","0.0007","34.0911","0.001","101.568","0.002","104.538","0.002","106.61","0.002","14925.9","0.8","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C176 H388 Mn2 Mo24 N12 O84 -","- C140.5 Mn2 Mo24 N12 O84 -","- C281 Mn4 Mo48 N24 O168 -","2","1","","Ritchie, C.; Bryant, G.","Microwave assisted synthesis of a mono organoimido functionalized Anderson polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20826","20829","10.1039/c5dt04000k","","","1.54184","CuKα","","0.1544","0.1042","","","0.2994","0.3438","","","","","","0.927","","","","has coordinates,has disorder","170869","2020-10-21","18:00:00",""
"7037555","22.2015","0.0014","8.3733","0.0005","36.918","0.002","90","","90","","90","","6863","0.7","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Dy N3 Na O8 P -","- C32 H33 Cl Dy N3 Na O8 P -","- C256 H264 Cl8 Dy8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0496","0.0403","","","0.0792","0.0823","","","","","","1.239","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037556","11.0268","0.0015","11.6462","0.0016","27.317","0.003","90","","113.808","0.004","90","","3209.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Dy N3 O8 P -","- C32 H33 Dy N3 O8 P -","- C128 H132 Dy4 N12 O32 P4 -","4","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0678","0.039","","","0.0818","0.1016","","","","","","1.032","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037557","22.267","0.003","8.4192","0.0013","36.839","0.006","90","","90","","90","","6906.2","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Gd N3 Na O8 P -","- C32 H33 Cl Gd N3 Na O8 P -","- C256 H264 Cl8 Gd8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0561","0.0415","","","0.0738","0.0778","","","","","","1.173","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037558","22.2076","0.0017","8.4021","0.0007","36.877","0.003","90","","90","","90","","6880.9","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl N3 Na O8 P Tb -","- C32 H33 Cl N3 Na O8 P Tb -","- C256 H264 Cl8 N24 Na8 O64 P8 Tb8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0651","0.0425","","","0.0777","0.0842","","","","","","1.077","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037559","22.22","0.004","8.3683","0.0016","36.89","0.007","90","","90","","90","","6859","2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Ho N3 Na O8 P -","- C32 H33 Cl Ho N3 Na O8 P -","- C256 H264 Cl8 Ho8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0722","0.0367","","","0.0852","0.1134","","","","","","1.014","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037560","10.99","0.002","11.579","0.002","27.216","0.005","90","","113.817","0.006","90","","3168.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Ho N3 O8 P -","- C32 H33 Ho N3 O8 P -","- C128 H132 Ho4 N12 O32 P4 -","4","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.048","0.0357","","","0.0744","0.0798","","","","","","1.064","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037561","13.0787","0.0004","16.7557","0.0005","18.7826","0.0006","90","","90","","90","","4116.1","0.2","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Complex 3a","","","- C44 H64 F N4 Nb -","- C44 H64 F N4 Nb -","- C176 H256 F4 N16 Nb4 -","4","1","","Nechayev, Michael; Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","C-F sp(2) bond functionalization mediated by niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19494","19500","10.1039/c5dt02082d","","","0.71073","MoKα","","0.0257","0.0237","","","0.0552","0.0565","","","","","","1.028","","","","has coordinates,has disorder","170871","2020-10-21","18:00:00",""
"7037562","11.0558","0.0004","21.2612","0.0007","18.2635","0.0006","90","","94.612","0.002","90","","4279.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C48 H65 N4 Nb -","- C48 H65 N4 Nb -","- C192 H260 N16 Nb4 -","4","1","","Nechayev, Michael; Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","C-F sp(2) bond functionalization mediated by niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19494","19500","10.1039/c5dt02082d","","","0.71073","mokα","","0.0578","0.0379","","","0.0843","0.0944","","","","","","1.019","","","","has coordinates","209040","2020-10-21","18:00:00",""
"7037563","11.3781","0.0002","12.6054","0.0004","18.8891","0.0006","71.3895","0.0012","76.4431","0.0016","72.4232","0.0016","2418.91","0.12","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C56 H49 Cl4 N2 P3 Ru -","- C56 H49 Cl4 N2 P3 Ru -","- C112 H98 Cl8 N4 P6 Ru2 -","2","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0717","0.0416","","0.0964","0.0854","0.0964","","","","","","0.9639","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037564","24.8338","0.0002","15.2417","0.0001","23.7802","0.0002","90","","90.5012","0.0005","90","","9000.68","0.12","200","","200","","","","","","","","local","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Cl2 N2 O P2 Ru -","- C41 H62 Cl2 N2 O P2 Ru -","- C328 H496 Cl16 N16 O8 P16 Ru8 -","8","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0426","0.034","","0.091","0.0838","0.091","","","","","","0.9111","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037565","20.2271","0.0003","19.835","0.0002","14.1997","0.0002","90","","90","","90","","5696.98","0.13","200","","200","","","","","","","","local","6","P n m a","-P 2ac 2n","62","","","","- C56 H72 Cl3 N2 Os P3 -","- C56 H72 Cl3 N2 Os P3 -","- C224 H288 Cl12 N8 Os4 P12 -","4","0.5","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0717","0.0582","","0.1563","0.1507","0.1563","","","","","","1.0624","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037566","10.3466","0.0011","12.5221","0.0012","20.2101","0.0018","82.067","0.005","83.655","0.007","68.642","0.005","2410.1","0.4","200","","200","","","","","","","","local","6","P -1","-P 1","2","","","","- C55 H46 Cl N2 Os P3 -","- C55 H46 Cl N2 Os P3 -","- C110 H92 Cl2 N4 Os2 P6 -","2","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0788","0.0648","","0.1272","0.1209","0.1272","","","","","","1.0006","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037567","21.3372","0.0003","10.7621","0.0001","29.9142","0.0005","90","","93.0438","0.0007","90","","6859.6","0.16","200","","200","","","","","","","","local","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 Cl8 N2 O P3 Ru -","- C58 H71 Cl8 N2 O P3 Ru -","- C232 H284 Cl32 N8 O4 P12 Ru4 -","4","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0864","0.0644","","0.1411","0.1312","0.1411","","","","","","1.0231","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037568","12.3266","0.0003","13.0965","0.0004","13.107","0.0002","101.84","0.0015","101.575","0.0015","95.3264","0.0012","2008.89","0.09","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C38 H54 Cl2 N2 O P2 Ru -","- C38 H54 Cl2 N2 O P2 Ru -","- C76 H108 Cl4 N4 O2 P4 Ru2 -","2","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0682","0.0431","","0.1178","0.1073","0.1178","","","","","","0.9732","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037569","12.1895","0.0003","13.3031","0.0004","17.2277","0.0006","104.641","0.0016","105.887","0.0017","103.368","0.0018","2460.49","0.14","200","","200","","","","","","","","local","6","P -1","-P 1","2","","","","- C50 H72 Cl2 N3 P2 Ru -","- C50 H72 Cl2 N3 P2 Ru -","- C100 H144 Cl4 N6 P4 Ru2 -","2","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.0909","0.062","","0.1172","0.1071","0.1172","","","","","","1.004","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037570","14.8173","0.0004","14.9752","0.0004","24.048","0.0006","89.7761","0.0016","89.3856","0.0019","87.7982","0.0012","5331.8","0.2","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C56 H57 Cl7 N2 P2 Ru2 -","- C56 H57 Cl7 N2 P2 Ru2 -","- C224 H228 Cl28 N8 P8 Ru8 -","4","2","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.1534","0.1155","","0.273","0.2513","0.273","","","","","","0.9609","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037571","11.148","0.0001","23.5178","0.0004","16.5354","0.0003","90","","100.168","0.0008","90","","4267.11","0.11","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H34 Au2 Cl8 N2 P2 -","- C39 H34 Au2 Cl8 N2 P2 -","- C156 H136 Au8 Cl32 N8 P8 -","4","1","","McQueen, Caitlin M. A.; Hill, Anthony F.; Ma, Chenxi; Ward, Jas S.","Ruthenium and osmium complexes of dihydroperimidine-based N-heterocyclic carbene pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20376","20385","10.1039/c5dt03728j","","","0.71073","MoKα","","0.077","0.067","","0.1796","0.1751","0.1796","","","","","","0.9959","","","","has coordinates","170872","2020-10-21","18:00:00",""
"7037572","12.0641","0.0004","19.327","0.0006","18.6758","0.0006","90","","108.733","0.0013","90","","4123.8","0.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Gd-EDTA","","- C10 H28 Gd N2 Na O16 -","- C10 H28 Gd N2 Na O16 -","- C80 H224 Gd8 N16 Na8 O128 -","8","2","","Holmberg, Rebecca J.; Ho, Le Tuan Anh; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Observation of unusual slow-relaxation of the magnetisation in a Gd-EDTA chelate.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20321","20325","10.1039/c5dt04072h","","","0.71073","MoKα","","0.0217","0.0216","","","0.0576","0.0577","","","","","","1.05","","","","has coordinates","170873","2020-10-21","18:00:00",""
"7037573","9.7171","0.0019","11.89","0.002","11.565","0.002","90","","113.84","0.03","90","","1222.2","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B N O3 -","- C12 H20 B N O3 -","- C48 H80 B4 N4 O12 -","4","1","","Dunsford, Jay J.; Clark, Ewan R.; Ingleson, Michael J.","Highly nucleophilic dipropanolamine chelated boron reagents for aryl-transmetallation to iron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20577","20583","10.1039/c5dt03835a","","","0.71073","MoKα","","0.1208","0.0686","","","0.1176","0.1539","","","","","","1.0344","","","","has coordinates","170874","2020-10-21","18:00:00",""
"7037574","18.416","0.004","9.961","0.002","13.9","0.003","90","","91.41","0.03","90","","2549.1","0.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C104 H160 B8 N8 O16 -","8","1","","Dunsford, Jay J.; Clark, Ewan R.; Ingleson, Michael J.","Highly nucleophilic dipropanolamine chelated boron reagents for aryl-transmetallation to iron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20577","20583","10.1039/c5dt03835a","","","0.71073","MoKα","","0.1068","0.0601","","","0.1311","0.1519","","","","","","1.055","","","","has coordinates","170874","2020-10-21","18:00:00",""
"7037575","12.9849","0.0006","11.4495","0.0007","16.7344","0.0008","90","","100.206","0.004","90","","2448.5","0.2","150","0.5","150","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 Fe P2 -","- C26 H24 Cl2 Fe P2 -","- C104 H96 Cl8 Fe4 P8 -","4","1","","Dunsford, Jay J.; Clark, Ewan R.; Ingleson, Michael J.","Highly nucleophilic dipropanolamine chelated boron reagents for aryl-transmetallation to iron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20577","20583","10.1039/c5dt03835a","","","0.71073","MoKα","","0.0796","0.0532","","","0.0899","0.1012","","","","","","1.0368","","","","has coordinates","170874","2020-10-21","18:00:00",""
"7037576","14.196","0.003","8.3416","0.0017","8.2422","0.0016","90","","105.32","0.03","90","","941.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C16 H48 Br8 N4 Pb2 -","2","0.5","","Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4].","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20406","20412","10.1039/c5dt03277f","","","0.71073","MoKα","","0.1144","0.0668","","","0.1288","0.1431","","","","","","1","","","","has coordinates,has disorder","170875","2020-10-21","18:00:00",""
"7037577","28.12","0.03","8.312","0.008","8.309","0.007","90","","90","","90","","1942","3","393","2","393","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.25","","Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4].","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20406","20412","10.1039/c5dt03277f","","","0.71073","MoKα","","0.0862","0.0588","","","0.1209","0.1354","","","","","","1.101","","","","has coordinates","206165","2020-10-21","18:00:00",""
"7037578","12.1286","0.0019","20.336","0.003","21.324","0.003","90","","90","","90","","5259.5","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3 H54 Mn2 N7 O55 P V18 -","- C3 H12 Mn2 N7 O55 P V18 -","- C12 H48 Mn8 N28 O220 P4 V72 -","4","1","","Zhou, Yang-Yang; Yao, Shuang; Yan, Jing-Hui; Chen, Li; Wang, Ting-Ting; Wang, Chun-Jie; Zhang, Zhi-Ming","Design and synthesis of purely inorganic 3D frameworks composed of reduced vanadium clusters and manganese linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20435","20440","10.1039/c5dt03397g","","","0.71073","MoKα","","0.0668","0.0544","","","0.1469","0.1564","","","","","","1.058","","","","has coordinates","170876","2020-10-21","18:00:00",""
"7037579","29.0398","0.0013","29.0398","0.0013","24.4712","0.0019","90","","90","","90","","20637","2","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- H37 Mn4 O61 P V18 -","- Mn4 O61 P V18 -","- Mn64 O976 P16 V288 -","16","0.5","","Zhou, Yang-Yang; Yao, Shuang; Yan, Jing-Hui; Chen, Li; Wang, Ting-Ting; Wang, Chun-Jie; Zhang, Zhi-Ming","Design and synthesis of purely inorganic 3D frameworks composed of reduced vanadium clusters and manganese linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20435","20440","10.1039/c5dt03397g","","","0.71073","MoKα","","0.0962","0.0626","","","0.2128","0.2562","","","","","","0.983","","","","has coordinates,has disorder","170876","2020-10-21","18:00:00",""
"7037580","22.77","0.003","22.77","0.003","27.582","0.004","90","","90","","90","","14301","3","100","2","100","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C144 H112 Cl6 N66 O46 Pd6 -","- C144 H104 Cl6 N66 O46 Pd6 -","- C288 H208 Cl12 N132 O92 Pd12 -","2","0.125","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.2353","0.1502","","","0.38","0.4218","","","","","","1.122","","","","has coordinates","170877","2020-10-21","18:00:00",""
"7037581","15.6582","0.0011","17.0899","0.0013","19.6474","0.0014","67.026","0.002","71.13","0.002","89.139","0.002","4542.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N18 O14 Pd2 -","- C32 H42 N18 O12 Pd2 -","- C128 H168 N72 O48 Pd8 -","4","2","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.2189","0.1021","","","0.2656","0.3065","","","","","","1","","","","has coordinates","170877","2020-10-21","18:00:00",""
"7037582","36.708","0.005","17.753","0.005","15.432","0.005","90","","102.721","0.005","90","","9810","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 N18 O12 Pd2 -","- C36 H50 N18 O12 Pd2 -","- C288 H400 N144 O96 Pd16 -","8","1","","Howlader, Prodip; Mukherjee, Sandip; Saha, Rajat; Mukherjee, Partha Sarathi","Conformation-selective coordination-driven self-assembly of a ditopic donor with Pd(II) acceptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20493","20501","10.1039/c5dt03185k","","","0.71073","MoKα","","0.1069","0.0913","","","0.1983","0.2053","","","","","","1.13","","","","has coordinates","170877","2020-10-21","18:00:00",""
"7037779","7.5154","0.0002","9.8002","0.0003","15.6928","0.0005","93.082","0.003","93.631","0.003","101.326","0.003","1128.44","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20.38 F3 N4 O4.19 Pd S -","- C21 H20 F3 N4 O4.19 Pd S -","- C42 H40 F6 N8 O8.38 Pd2 S2 -","2","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","1.54184","CuKα","","0.0369","0.0363","","","0.0976","0.0981","","","","","","1.071","","","","has coordinates,has disorder","171866","2020-10-21","18:00:00",""
"7037780","7.972","0.0002","17.9802","0.0005","36.9522","0.001","90","","90","","90","","5296.7","0.2","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H29 F3 N4 O4 Pd S -","- C25 H29 F3 N4 O4 Pd S -","- C200 H232 F24 N32 O32 Pd8 S8 -","8","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","0.71073","MoKα","","0.042","0.0254","","","0.0599","0.0619","","","","","","1.019","","","","has coordinates","171866","2020-10-21","18:00:00",""
"7037781","12.8921","0.0007","17.708","0.001","33.077","0.002","84.739","0.005","86.381","0.005","79.154","0.005","7377","0.7","103","2","103","2","","","","","","","","9","P -1","-P 1","2","","","","- C69.5 H63.5 Ag Cl7.5 F3 N8 O5.5 Pd2 S -","- C69.5 H63.5 Ag Cl7.5 F3 N8 O5.5 Pd2 S -","- C278 H254 Ag4 Cl30 F12 N32 O22 Pd8 S4 -","4","2","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","1.54184","CuKα","","0.0965","0.0652","","","0.1679","0.1841","","","","","","1.056","","","","has coordinates,has disorder","171866","2020-10-21","18:00:00",""
"7037782","9.132","0.002","11.578","0.002","17.024","0.003","90","","91.879","0.008","90","","1799","0.6","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 N2 O Pd -","- C19 H18 Cl2 N2 O Pd -","- C76 H72 Cl8 N8 O4 Pd4 -","4","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","0.71073","MoKα","","0.0395","0.0341","","","0.0827","0.0851","","","","","","1.086","","","","has coordinates","171866","2020-10-21","18:00:00",""
"7037783","8.03","0.0004","9.1108","0.0004","16.7796","0.0008","96.35","0.004","98.048","0.004","107.239","0.004","1145.78","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H21 Cl F3 N3 O4 Pd S -","- C22 H21 Cl F3 N3 O4 Pd S -","- C44 H42 Cl2 F6 N6 O8 Pd2 S2 -","2","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","0.71073","MoKα","","0.0254","0.0209","","","0.0517","0.0524","","","","","","1.05","","","","has coordinates,has disorder","171866","2020-10-21","18:00:00",""
"7037784","5.9644","0.0005","14.7386","0.0012","16.5422","0.0013","90","","92.149","0.006","90","","1453.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Ghosh, Abhijit; Ta, Sabyasachi; Ghosh, Milan; Karmakar, Subhajit; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Das, Debasis","Dual mode ratiometric recognition of zinc acetate: nanomolar detection with in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","599","606","10.1039/c5dt03431k","","","0.71073","MoKα","","0.1137","0.0527","","","0.1493","0.1925","","","","","","1.036","","","","has coordinates","171867","2020-10-21","18:00:00",""
"7037785","7.2028","0.0003","7.9197","0.0003","14.7696","0.0006","81.753","0.003","84.845","0.002","65.428","0.002","757.87","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C36 H26 N6 O6 -","2","1","","Ghosh, Abhijit; Ta, Sabyasachi; Ghosh, Milan; Karmakar, Subhajit; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Das, Debasis","Dual mode ratiometric recognition of zinc acetate: nanomolar detection with in vitro tracking of endophytic bacteria in rice root tissue.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","599","606","10.1039/c5dt03431k","","","0.71073","MoKα","","0.0806","0.0477","","","0.13","0.1547","","","","","","1.042","","","","has coordinates","171867","2020-10-21","18:00:00",""
"7037786","9.1159","0.0002","13.6244","0.0003","18.495","0.0004","74.008","0.001","85.516","0.001","89.225","0.001","2201.32","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cl3 Cu2 N10 O2 -","- C46 H42 Cl3 Cu2 N10 O2 -","- C92 H84 Cl6 Cu4 N20 O4 -","2","1","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.0461","0.0385","","","0.1001","0.1041","","","","","","1.066","","","","has coordinates,has disorder","171868","2020-10-21","18:00:00",""
"7037787","7.9801","0.0007","18.5685","0.0019","26.854","0.003","90","","90","","90","","3979.2","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N4 O -","- C25 H18 N4 O -","- C200 H144 N32 O8 -","8","1","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.0713","0.0403","","","0.0862","0.0946","","","","","","1.008","","","","has coordinates","171868","2020-10-21","18:00:00",""
"7037788","20.0008","0.0005","18.3973","0.0004","24.6565","0.0007","90","","95.092","0.001","90","","9036.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H84 Br6 Cu4 N20 O4 -","- C92 H84 Br6 Cu4 N20 O4 -","- C368 H336 Br24 Cu16 N80 O16 -","4","0.5","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.0524","0.0314","","","0.0693","0.0743","","","","","","1.05","","","","has coordinates","171868","2020-10-21","18:00:00",""
"7037789","11.6372","0.0011","7.5691","0.0006","21.511","0.002","90","","94.403","0.003","90","","1889.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N5 O -","- C23 H21 N5 O -","- C92 H84 N20 O4 -","4","1","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.051","0.036","","","0.0871","0.0918","","","","","","1.047","","","","has coordinates","171868","2020-10-21","18:00:00",""
"7037790","8.2845","0.0002","12.2544","0.0003","24.619","0.0007","90","","92.923","0.001","90","","2496.11","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Br3 Cu2 N4 O -","- C25 H18 Br3 Cu2 N4 O -","- C100 H72 Br12 Cu8 N16 O4 -","4","1","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.0258","0.0195","","","0.0432","0.0443","","","","","","1.038","","","","has coordinates","171868","2020-10-21","18:00:00",""
"7037791","10.3803","0.0005","11.3508","0.0006","12.9894","0.0007","72.435","0.001","89.867","0.001","87.372","0.001","1457.47","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Dy N3 O9 -","- C30 H26 Dy N2 O8 -","- C60 H52 Dy2 N4 O16 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71069","MoKα","","0.025","0.0235","","","0.0577","0.0584","","","","","","1.073","","","","has coordinates","171869","2020-10-21","18:00:00",""
"7037792","10.3541","0.0012","11.368","0.0013","12.916","0.0015","72.859","0.001","90.028","0.001","87.232","0.001","1450.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Gd N3 O9 -","- C30 H26 Gd N2 O8 -","- C60 H52 Gd2 N4 O16 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71069","MoKα","","0.0596","0.045","","","0.0974","0.103","","","","","","0.943","","","","has coordinates","171869","2020-10-21","18:00:00",""
"7037793","10.468","0.005","11.356","0.005","13.089","0.006","107.539","0.005","90.086","0.006","92.356","0.006","1482.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 N3 O9 Tb -","- C30 H26 N2 O8 Tb -","- C60 H52 N4 O16 Tb2 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71069","MoKα","","0.0891","0.0578","","","0.1121","0.1229","","","","","","0.911","","","","has coordinates","171869","2020-10-21","18:00:00",""
"7037794","13.5512","0.0016","13.6376","0.0016","21.667","0.002","106.851","0.004","97.131","0.004","91.457","0.004","3794.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H73 N10 O28 Yb3 -","- C66 H66 N9 O27 Yb3 -","- C132 H132 N18 O54 Yb6 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71073","MoKα","","0.0714","0.0623","","","0.125","0.1294","","","","","","1.069","","","","has coordinates,has disorder","171869","2020-10-21","18:00:00",""
"7037795","10.4477","0.0006","11.4945","0.0007","12.9583","0.0007","106.639","0.002","90.322","0.002","93.194","0.002","1488.32","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 N3 O9 Pr -","- C30 H26 N2 O8 Pr -","- C60 H52 N4 O16 Pr2 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71069","MoKα","","0.081","0.0498","","","0.0943","0.1027","","","","","","1.045","","","","has coordinates,has disorder","171869","2020-10-21","18:00:00",""
"7037796","10.471","0.005","11.359","0.005","13.093","0.006","107.541","0.005","90.084","0.006","92.355","0.006","1483.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 N3 Nd O9 -","- C30 H26 N2 Nd O8 -","- C60 H52 N4 Nd2 O16 -","2","1","","Calahorro, Antonio J.; Oyarzabal, Itziar; Fernández, Belén; Seco, José M; Tian, Tian; Fairen-Jimenez, David; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Rare earth anthracenedicarboxylate metal-organic frameworks: slow relaxation of magnetization of Nd(3+), Gd(3+), Dy(3+), Er(3+) and Yb(3+) based materials.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","591","598","10.1039/c5dt03946k","","","0.71069","MoKα","","0.0594","0.0476","","","0.1023","0.1076","","","","","","0.978","","","","has coordinates","171869","2020-10-21","18:00:00",""
"7037797","13.043","0.003","8.1888","0.0016","11.148","0.002","90","","90","","90","","1190.7","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C5 H6 Br Cu4 N9 -","- C5 H6 Br Cu4 N9 -","- C20 H24 Br4 Cu16 N36 -","4","0.5","","Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing","A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","545","551","10.1039/c5dt03656a","","","0.71073","MoKα","","0.0581","0.0402","","","0.079","0.0853","","","","","","1.111","","","","has coordinates","171870","2020-10-21","18:00:00",""
"7037798","8.2583","0.0004","6.0512","0.0003","12.0063","0.0006","90","","90","","90","","599.99","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu3 H4 O8 S -","- Cu3 H4 O8 S -","- Cu12 H16 O32 S4 -","4","0.5","","Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing","A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","545","551","10.1039/c5dt03656a","","","0.71073","MoKα","","0.0229","0.0176","","","0.0419","0.0437","","","","","","1.115","","","","has coordinates","171871","2020-10-21","18:00:00",""
"7038262","9.9154","0.0001","22.4996","0.0003","14.6664","0.0002","90","","92.807","0.001","90","","3268.04","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl2 N2 O2 P Re -","- C38 H30 Cl2 N2 O2 P Re -","- C152 H120 Cl8 N8 O8 P4 Re4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0274","0.0199","","","0.0402","0.0409","","","","","","0.921","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038263","12.8922","0.0005","20.9641","0.0006","20.619","0.0007","90","","106.991","0.004","90","","5329.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H47 Br N4 O5 P2 Re2 -","- C56 H47 Br N4 O5 P2 Re2 -","- C224 H188 Br4 N16 O20 P8 Re8 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.062","0.0439","","","0.0992","0.1052","","","","","","1.042","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038264","12.7856","0.0004","20.8513","0.0006","20.5169","0.0006","90","","108.012","0.003","90","","5201.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H47 Cl N4 O5 P2 Re2 -","- C56 H47 Cl N4 O5 P2 Re2 -","- C224 H188 Cl4 N16 O20 P8 Re8 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0456","0.035","","","0.0756","0.0794","","","","","","1.028","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038265","10.4203","0.0004","11.1922","0.0004","17.5181","0.0006","80.298","0.003","86.888","0.003","74.343","0.003","1939.04","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H36 Cl2 N4 O P Re S -","- C42 H36 Cl2 N4 O P Re S -","- C84 H72 Cl4 N8 O2 P2 Re2 S2 -","2","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0645","0.0438","","","0.0837","0.0883","","","","","","0.954","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038266","10.0403","0.0004","22.9911","0.0008","14.5963","0.0005","90","","91.736","0.003","90","","3367.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Br2 N2 O P Re S -","- C38 H30 Br2 N2 O P Re S -","- C152 H120 Br8 N8 O4 P4 Re4 S4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0398","0.027","","","0.049","0.0518","","","","","","1.029","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038267","11.6599","0.0003","17.448","0.0004","18.3654","0.0005","99.887","0.002","107.017","0.002","108.687","0.002","3235.76","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H60 Br N2 O5 P3 Re2 S -","- C74 H60 Br N2 O5 P3 Re2 S -","- C148 H120 Br2 N4 O10 P6 Re4 S2 -","2","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0467","0.0337","","","0.0699","0.0749","","","","","","1.012","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038268","10.0301","0.0003","22.6557","0.0007","17.543","0.0004","90","","122.839","0.002","90","","3349.41","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Br2 N2 O2 P Re -","- C38 H30 Br2 N2 O2 P Re -","- C152 H120 Br8 N8 O8 P4 Re4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0424","0.029","","","0.0639","0.0672","","","","","","1.028","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038269","12.7001","0.0003","21.0563","0.0004","19.9772","0.0005","90","","107.282","0.003","90","","5101.1","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 Cl N2 O5 P2 Re2 S -","- C56 H45 Cl N2 O5 P2 Re2 S -","- C224 H180 Cl4 N8 O20 P8 Re8 S4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0507","0.0375","","","0.0843","0.0887","","","","","","1.033","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038270","11.8734","0.0003","17.2825","0.0005","18.3204","0.0005","99.237","0.002","107.373","0.002","108.801","0.003","3256.41","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H60 Br F6 N2 O2 P4 Re -","- C74 H60 Br F6 N2 O2 P4 Re -","- C148 H120 Br2 F12 N4 O4 P8 Re2 -","2","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0676","0.0487","","","0.1075","0.117","","","","","","1.059","","","","has coordinates,has disorder","175850","2020-10-21","18:00:00",""
"7038271","10.199","0.0004","22.6461","0.0008","14.84","0.0006","90","","90.964","0.003","90","","3427.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Br2 N4 O P Re -","- C38 H32 Br2 N4 O P Re -","- C152 H128 Br8 N16 O4 P4 Re4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0433","0.0321","","","0.0726","0.0764","","","","","","1.065","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038272","11.7939","0.0007","17.273","0.0007","18.3327","0.0011","99.156","0.004","107.652","0.005","108.436","0.004","3239.1","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H60 Cl F6 N2 O2 P4 Re -","- C74 H60 Cl F6 N2 O2 P4 Re -","- C148 H120 Cl2 F12 N4 O4 P8 Re2 -","2","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.1036","0.0651","","","0.1434","0.1586","","","","","","0.962","","","","has coordinates,has disorder","175850","2020-10-21","18:00:00",""
"7038273","12.1934","0.0005","11.6623","0.0003","36.0446","0.0012","90","","91.283","0.004","90","","5124.4","0.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 Br F6 N2 O P3 Re S -","- C56 H45 Br F6 N2 O P3 Re S -","- C224 H180 Br4 F24 N8 O4 P12 Re4 S4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.0657","0.0525","","","0.085","0.0882","","","","","","1.168","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038274","12.205","0.0004","11.5341","0.0005","36.2386","0.0012","90","","91.344","0.003","90","","5100","0.3","293","0.2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 Cl F6 N2 O P3 Re S -","- C56 H45 Cl F6 N2 O P3 Re S -","- C224 H180 Cl4 F24 N8 O4 P12 Re4 S4 -","4","1","","Gryca, Izabela; Machura, Barbara; Małecki, Jan Grzegorz; Kusz, Joachim; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","p-Tolylimido rhenium(v) complexes with phenolate-based ligands: synthesis, X-ray studies and catalytic activity in oxidation with tert-butylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","334","351","10.1039/c5dt03598h","","","0.71073","MoKα","","0.1062","0.0789","","","0.1525","0.1617","","","","","","1.072","","","","has coordinates","175850","2020-10-21","18:00:00",""
"7038275","17.8636","0.0003","7.9173","0.0002","25.9511","0.0006","90","","93.81","0.002","90","","3662.19","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu N O4 -","- C20 H20 Cu N O4 -","- C160 H160 Cu8 N8 O32 -","8","1","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","0.71073","MoKα","","0.0251","0.0233","","","0.0544","0.0554","","","","","","1.087","","","","has coordinates","175851","2020-10-21","18:00:00",""
"7038276","9.8067","0.0004","11.9518","0.0005","19.7047","0.0007","83.844","0.003","79.762","0.003","69.662","0.004","2128.49","0.16","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 Cu2 N2 O8 S -","- C46 H44 Cu2 N2 O8 S -","- C92 H88 Cu4 N4 O16 S2 -","2","1","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","0.71073","MoKα","","0.0536","0.0374","","","0.0883","0.0977","","","","","","1.023","","","","has coordinates,has disorder","175851","2020-10-21","18:00:00",""
"7038277","23.9841","0.0006","5.8831","0.0001","41.7264","0.0013","90","","106.501","0.003","90","","5645.1","0.3","250","2","250","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H27 Cu N2 O6 S -","- C28 H27 Cu N2 O6 S -","- C224 H216 Cu8 N16 O48 S8 -","8","1","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","1.54184","CuKα","","0.0818","0.0743","","","0.2203","0.2323","","","","","","1.053","","","","has coordinates,has disorder","175851","2020-10-21","18:00:00",""
"7038278","10.024","0.005","10.824","0.005","12.846","0.005","97.185","0.005","90.782","0.005","104.175","0.005","1339.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Cu2 N10 Na2 O16 -","- C52 H52 Cu2 N10 Na2 O16 -","- C52 H52 Cu2 N10 Na2 O16 -","1","0.5","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","0.71073","MoKα","","0.0816","0.0541","","","0.1319","0.1519","","","","","","1.051","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7038279","13.3056","0.0015","18.004","0.002","47.337","0.005","90","","96.278","0.004","90","","11272","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Olex2 1.2-beta(compiled 2014.05.21 svn.r2942 for OlexSys, GUI svn.r4844)","","- C120 H126 Cu6 N6 O21 -","- C120 H126 Cu6 N6 O21 -","- C480 H504 Cu24 N24 O84 -","4","1","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","0.71073","MoKα","","0.0865","0.0615","","","0.1522","0.1654","","","","","","1.064","","","","has coordinates","175851","2020-10-21","18:00:00",""
"7038280","14.339","0.003","26.055","0.005","31.083","0.006","90","","90","","90","","11613","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 Eu4 F6 N12 O16 -","- C116 H89.998 Eu4 F6 N12 O16 -","- C464 H359.992 Eu16 F24 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0884","0.0582","","","0.1422","0.164","","","","","","1.13","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038281","14.35","0.003","26.024","0.005","31","0.006","90","","90","","90","","11577","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 Gd4 N12 O16 -","- C116 H90 F6 Gd4 N12 O16 -","- C464 H360 F24 Gd16 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0943","0.0624","","","0.1568","0.1849","","","","","","1.108","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038282","14.318","0.003","26.201","0.005","30.477","0.006","90","","90","","90","","11433","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 Lu4 N12 O16 -","- C116 H90 F6 Lu4 N12 O16 -","- C464 H360 F24 Lu16 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.053","0.044","","","0.1223","0.1343","","","","","","1.198","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038283","14.271","0.003","26.159","0.005","30.634","0.006","90","","90","","90","","11436","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Tm4 -","- C116 H89.999 F6 N12 O16 Tm4 -","- C464 H359.996 F24 N48 O64 Tm16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0584","0.0489","","","0.1183","0.1235","","","","","","1.154","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038284","14.33","0.003","26.134","0.005","30.745","0.006","90","","90","","90","","11514","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Y4 -","- C116 H89.999 F6 N12 O16 Y4 -","- C464 H359.996 F24 N48 O64 Y16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0822","0.0541","","","0.1281","0.1472","","","","","","1.11","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038285","14.296","0.003","26.078","0.005","30.889","0.006","90","","90","","90","","11516","4","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 Dy4 F6 N12 O16 -","- C116 H90 Dy4 F6 N12 O16 -","- C464 H360 Dy16 F24 N48 O64 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0663","0.049","","","0.0997","0.109","","","","","","1.094","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038286","14.289","0.0007","26.0134","0.0012","30.9029","0.0014","90","","90","","90","","11486.8","0.9","113","2","113","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C116 H90 F6 N12 O16 Tb4 -","- C116 H89.999 F6 N12 O16 Tb4 -","- C464 H359.996 F24 N48 O64 Tb16 -","4","0.5","","Gao, Hong-Ling; Jiang, Li; Liu, Shuang; Shen, Hai-Yun; Wang, Wen-Min; Cui, Jian-Zhong","Multiple magnetic relaxation processes, magnetocaloric effect and fluorescence properties of rhombus-shaped tetranuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","253","264","10.1039/c5dt03790e","","","0.71073","MoKα","","0.0362","0.0268","","","0.057","0.0605","","","","","","1.101","","","","has coordinates,has disorder","175852","2020-10-21","18:00:00",""
"7038287","18.7632","0.0007","18.7632","0.0001","38.6558","0.0013","90","","90","","120","","11785.8","0.6","100","2","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11 H4 Cu N O6.22 -","- C11.5 H4 Cu N O5.5 -","- C207 H72 Cu18 N18 O99 -","18","0.5","","Song, Chengling; Ling, Yajing; Jin, Liting; Zhang, Mingxing; Chen, De-Li; He, Yabing","CO2 adsorption of three isostructural metal-organic frameworks depending on the incorporated highly polarized heterocyclic moieties.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","190","197","10.1039/c5dt02845k","","","0.71073","MoKα","","0.0481","0.0399","","","0.1272","0.1317","","","","","","1.026","","","","has coordinates","175853","2020-10-21","18:00:00",""
"7038288","18.554","0.005","18.554","0.005","38.822","0.008","90","","90","","120","","11574","5","100","2","100","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C22 H8 Cu2 N2 O10 Se -","- C22 H8 Cu2 N2 O10 Se -","- C198 H72 Cu18 N18 O90 Se9 -","9","0.25","","Song, Chengling; Ling, Yajing; Jin, Liting; Zhang, Mingxing; Chen, De-Li; He, Yabing","CO2 adsorption of three isostructural metal-organic frameworks depending on the incorporated highly polarized heterocyclic moieties.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","190","197","10.1039/c5dt02845k","","","0.71073","MoKα","","0.1619","0.15","","","0.4195","0.4287","","","","","","1.619","","","","has coordinates","175853","2020-10-21","18:00:00",""
"7038289","16.9811","0.0004","11.3326","0.0003","20.1037","0.0006","90","","105.433","0.001","90","","3729.26","0.17","200","2","200","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","bis(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine)-iron(ii) bis(tetrafluoroborate) ethanol hydrate","","- C32 H38 B2 F8 Fe N10 O2 -","- C32 H36 B2 F8 Fe N10 O2 -","- C128 H144 B8 F32 Fe4 N40 O8 -","4","1","","Bushuev, Mark B.; Pishchur, Denis P.; Logvinenko, Vladimir A.; Gatilov, Yuri V.; Korolkov, Ilya V.; Shundrina, Inna K.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.","A mononuclear iron(ii) complex: cooperativity, kinetics and activation energy of the solvent-dependent spin transition.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","107","120","10.1039/c5dt03750f","","","0.71073","MoKα","","0.0672","0.0513","","","0.1528","0.1744","","","","","","0.943","","","","has coordinates,has disorder","175854","2020-10-21","18:00:00",""
"7038290","12.8079","0.0014","19.1932","0.0019","27.373","0.003","90","","90","","90","","6729","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine)-iron(ii) bis(tetrafluoroborate)","","- C30 H30 B2 F8 Fe N10 -","- C30 H30 B2 F8 Fe N10 -","- C240 H240 B16 F64 Fe8 N80 -","8","1","","Bushuev, Mark B.; Pishchur, Denis P.; Logvinenko, Vladimir A.; Gatilov, Yuri V.; Korolkov, Ilya V.; Shundrina, Inna K.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.","A mononuclear iron(ii) complex: cooperativity, kinetics and activation energy of the solvent-dependent spin transition.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","107","120","10.1039/c5dt03750f","","","0.71073","MoKα","","0.116","0.0653","","","0.1704","0.2179","","","","","","0.902","","","","has coordinates,has disorder","175854","2020-10-21","18:00:00",""
"7038291","46.241","0.003","8.214","0.0005","18.5849","0.001","90","","93.444","0.004","90","","7046.2","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine)-iron(ii) bis(tetrafluoroborate) hemi(ethanol hydrate)","","- C30.82 H33.26 B2 F8 Fe N10 O0.81 -","- C30.82 H33.26 B2 F8 Fe N10 O0.81 -","- C246.56 H266.08 B16 F64 Fe8 N80 O6.48 -","8","1","","Bushuev, Mark B.; Pishchur, Denis P.; Logvinenko, Vladimir A.; Gatilov, Yuri V.; Korolkov, Ilya V.; Shundrina, Inna K.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.","A mononuclear iron(ii) complex: cooperativity, kinetics and activation energy of the solvent-dependent spin transition.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","107","120","10.1039/c5dt03750f","","","0.71073","MoKα","","0.0928","0.0715","","","0.1863","0.1986","","","","","","1.108","","","","has coordinates,has disorder","175854","2020-10-21","18:00:00",""
"7054425","16.624","0.004","7.8685","0.0014","28.101","0.005","90","","102.325","0.007","90","","3591.1","1.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C30 H38 N3 Ni S8 -","- C30 H38 N3 Ni S8 -","- C120 H152 N12 Ni4 S32 -","4","1","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.125","0.0635","","","0.1283","0.156","","","","","","0.996","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054426","8.5565","0.0003","11.6085","0.0003","37.5518","0.001","90","","90","","90","","3729.95","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 S4 -","- C17 H17 N3 S4 -","- C136 H136 N24 S32 -","8","2","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.042","0.0365","","","0.0756","0.078","","","","","","1.026","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7054434","13.508","0.009","24.193","0.016","7.507","0.005","90","","94.864","0.001","90","","2444","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N3 -","- C30 H33 N3 -","- C120 H132 N12 -","4","1","","Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes","New J. Chem.","2015","39","2","886","","10.1039/C4NJ01093K","","","0.71075","MoKα","","0.1581","0.1283","","","0.2274","0.245","","","","","","1.303","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054435","10.766","0.003","13.96","0.005","17.294","0.006","102.357","0.005","98.189","0.005","100.935","0.004","2447","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N12 O21 -","- C48 H42 N12 O21 -","- C96 H84 N24 O42 -","2","1","","Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes","New J. Chem.","2015","39","2","886","","10.1039/C4NJ01093K","","","0.71075","MoKα","","0.0852","0.0662","","","0.1486","0.1631","","","","","","1.087","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054449","9.8538","0.0003","12.9015","0.0004","12.7365","0.0004","90","","97.033","0.003","90","","1606.99","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Fe N3 O3 -","- C16 H19 Fe N3 O3 -","- C64 H76 Fe4 N12 O12 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.043","0.0344","","","0.0829","0.0896","","","","","","1.069","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054450","12.5421","0.0007","14.1112","0.0008","9.8489","0.0006","90","","92.506","0.005","90","","1741.43","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N3 O3 -","- C17 H21 Fe N3 O3 -","- C68 H84 Fe4 N12 O12 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0973","0.084","","","0.2461","0.2652","","","","","","1.037","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054451","7.6098","0.0003","9.9244","0.0004","12.4142","0.0004","94.402","0.003","97.669","0.003","107.436","0.003","879.69","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N3 O4 -","- C17 H23 Fe N3 O4 -","- C34 H46 Fe2 N6 O8 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0333","0.0288","","","0.0741","0.0776","","","","","","1.026","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054452","6.06","0.0002","12.5298","0.0005","20.6252","0.0005","80.833","0.003","87.615","0.002","87.665","0.003","1543.82","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Fe N4 O3.5 -","- C14 H17 Fe N4 O3.5 -","- C56 H68 Fe4 N16 O14 -","4","2","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0802","0.0677","","","0.1896","0.2023","","","","","","1.103","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7054453","43.0383","0.0015","5.8461","0.0003","8.4347","0.0005","90","","90","","90","","2122.22","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Fe N5 O7 -","- C21 H19 Fe N5 O7 -","- C84 H76 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0822","0.0724","","","0.1647","0.1716","","","","","","1.091","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054454","9.4141","0.0004","11.4937","0.0005","11.5265","0.0006","109.571","0.004","96.214","0.004","105.601","0.004","1104.49","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Fe N5 O7 -","- C22 H21 Fe N5 O7 -","- C44 H42 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.049","0.0392","","","0.1011","0.1117","","","","","","1.061","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054455","7.4108","0.0003","13.2305","0.0006","13.7738","0.0005","63.098","0.004","74.466","0.003","78.581","0.004","1155.71","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Fe N5 O7 -","- C23 H23 Fe N5 O7 -","- C46 H46 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0389","0.0329","","","0.0823","0.0867","","","","","","1.035","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054456","11.0568","0.0004","11.2915","0.0004","11.3242","0.0004","77.032","0.003","73.612","0.003","62.236","0.004","1192.99","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Fe N5 O7 -","- C23 H23 Fe N5 O7 -","- C46 H46 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0549","0.0447","","","0.1153","0.1258","","","","","","1.021","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054457","22.3748","0.0009","5.7925","0.0003","19.342","0.001","90","","90","","90","","2506.8","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Fe N5 O7 -","- C24 H25 Fe N5 O7 -","- C96 H100 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0892","0.0551","","","0.1113","0.1322","","","","","","1.039","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054458","8.4026","0.0004","10.9599","0.0004","12.3548","0.0005","107.976","0.004","102.058","0.004","92.43","0.004","1051.35","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe N6 O7 -","- C20 H18 Fe N6 O7 -","- C40 H36 Fe2 N12 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0458","0.0358","","","0.0831","0.0901","","","","","","1.026","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054459","15.959","0.005","11.194","0.003","13.281","0.004","90","","100.678","0.005","90","","2331.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Co N2 O9 -","- C22 H27 Co N2 O9 -","- C88 H108 Co4 N8 O36 -","4","1","","Mitra, Merry; Raghavaiah, Pallepogu; Ghosh, Rajarshi","A mononuclear cobalt(iii) complex and its catecholase activity","New J. Chem.","2015","39","1","200","","10.1039/C4NJ01587H","","","0.71073","MoKα","","0.0672","0.0556","","","0.1456","0.1542","","","","","","1.063","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054460","13.9035","0.001","13.9035","0.001","33.499","0.005","90","","90","","120","","5608","1","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","0012ljm","","","- C6 H26 As2 N9 Na9 Ni3 O73 W18 -","- C6 H25.92 As2 N9 Na9 Ni3 O73 W18 -","- C12 H51.84 As4 N18 Na18 Ni6 O146 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0759","0.0574","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054461","13.9494","0.0008","13.9494","0.0008","33.76","0.004","90","","90","","120","","5689.1","0.8","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C6 H37 As2 Mn3 N9 Na9 O78.5 W18 -","- C6 H36.96 As2 Mn3 N9 Na9 O78.5 W18 -","- C12 H73.92 As4 Mn6 N18 Na18 O157 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0682","0.0433","","","0.1012","0.119","","","","","","1.045","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054462","13.9307","0.0005","13.9307","0.0005","33.554","0.003","90","","90","","120","","5639.2","0.6","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C6 H34 As2 Co3 N9 Na9 O77 W18 -","- C6 H30.96 As2 Co3 N9 Na9 O77 W18 -","- C12 H61.92 As4 Co6 N18 Na18 O154 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0686","0.0457","","","0.0932","0.1013","","","","","","1.051","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054474","6.9708","0.0014","14.408","0.002","7.8104","0.0013","90","","105.99","0.02","90","","754.1","0.2","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-Dicarboxamidoximyl-furoxane","3,4-Dicarboxamidoximyl-furoxane","","- C4 H6 N6 O4 -","- C4 H6 N6 O4 -","- C16 H24 N24 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0602","0.0485","","","0.1211","0.1288","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054475","7.5509","0.0013","7.844","0.0015","18.562","0.003","90","","94.987","0.016","90","","1095.3","0.3","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane","bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane","","- C4 H8 N12 O4 -","- C4 H8 N12 O4 -","- C16 H32 N48 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0575","0.0386","","","0.0908","0.1018","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054476","8.0286","0.0012","8.0668","0.0011","9.6666","0.0015","90","","90.004","0.012","90","","626.06","0.16","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","","- C4 H10 N12 O7 -","- C4 H10 N12 O7 -","- C8 H20 N24 O14 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0418","0.0319","","","0.057","0.0616","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054477","6.985","0.0005","8.4845","0.0005","13.8574","0.0009","90","","90","","90","","821.25","0.09","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3,4-Dichloroximidoyl-furoxane","3,4-Dichloroximidoyl-furoxane","","- C4 H2 Cl2 N4 O4 -","- C4 H2 Cl2 N4 O4 -","- C16 H8 Cl8 N16 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0294","0.027","","","0.0599","0.0616","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054478","8.2678","0.0006","11.2186","0.0007","8.5693","0.0005","90","","99.912","0.006","90","","782.97","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,4-Bis(chloroximidoyl)furazane","3,4-Bis(chloroximidoyl)furazane","","- C4 H2 Cl2 N4 O3 -","- C4 H2 Cl2 N4 O3 -","- C16 H8 Cl8 N16 O12 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0372","0.0291","","","0.067","0.0736","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054479","12.844","0.003","8.919","0.005","6.988","0.004","90","","112.147","0.005","90","","741.5","0.6","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4-(Dicarboxamidoxyl)furazane","3,4-(Dicarboxamidoxyl)furazane","","- C4 H6 N6 O3 -","- C4 H6 N6 O3 -","- C16 H24 N24 O12 -","4","0.5","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0517","0.0388","","","0.0955","0.1058","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054480","7.1412","0.0006","7.2056","0.0008","11.498","0.0009","89.658","0.007","73.514","0.007","64.814","0.009","508.88","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","dipotassium bis(1-oxido-tetrazolyl)-furoxane","dipotassium bis(1-oxido-tetrazolyl)-furoxane","","- C4 K2 N10 O4 -","- C4 K2 N10 O4 -","- C8 K4 N20 O8 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0332","0.0255","","","0.0565","0.0597","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054481","14.7455","0.0008","11.7557","0.0006","10.6941","0.0006","90","","129.904","0.005","90","","1422.05","0.17","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bisguanidinium bis(1-oxido-tetrazolyl)-furoxane","bisguanidinium bis(1-oxido-tetrazolyl)-furoxane","","- C6 H12 N16 O4 -","- C6 H12 N16 O4 -","- C24 H48 N64 O16 -","4","0.5","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0468","0.0366","","","0.0815","0.0876","","","","","","1.062","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054482","7.0135","0.0007","31.347","0.002","7.9795","0.0007","90","","115.793","0.012","90","","1579.5","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane","bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C24 H56 N72 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.052","0.0374","","","0.0799","0.0874","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054483","7.4337","0.0004","21.6146","0.0009","7.5901","0.0004","90","","97.741","0.005","90","","1208.44","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dipotassium bis(1-oxidotetrazolyl)furazane dihydrate","dipotassium bis(1-oxidotetrazolyl)furazane dihydrate","","- C4 H4 K2 N10 O5 -","- C4 H4 K2 N10 O5 -","- C16 H16 K8 N40 O20 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0307","0.0254","","","0.0581","0.061","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054484","3.7659","0.0003","11.0046","0.0014","14.3912","0.0016","97.056","0.01","95.04","0.008","98.978","0.009","581.14","0.11","236","","236","","","","","","","","","4","P -1","-P 1","2","bishydrazinium bis(1-oxidotetrazolyl)-furazane","bishydrazinium bis(1-oxidotetrazolyl)-furazane","","- C4 H10 N14 O3 -","- C4 H10 N14 O3 -","- C8 H20 N28 O6 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0736","0.0446","","","0.0826","0.097","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054485","14.5573","0.0013","7.5523","0.0007","19.5093","0.0014","90","","90","","90","","2144.9","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","","- C4 H8 N12 O3 -","- C4 H8 N12 O3 -","- C32 H64 N96 O24 -","8","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0865","0.0465","","","0.0782","0.0959","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054486","8.3016","0.0003","12.104","0.0004","16.4292","0.0005","90","","98.436","0.003","90","","1632.99","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 F4 N O2 -","- C19 H11 F4 N O2 -","- C76 H44 F16 N4 O8 -","4","1","","Huo, Yanping; Lu, Jiguo; Lu, Tianhua; Fang, Xiaoming; Ouyang, Xinhua; Zhang, Li; Yuan, Guozan","Comparative studies on OLED performances of chloro and fluoro substituted Zn(ii) 8-hydroxyquinolinates","New J. Chem.","2015","39","1","333","","10.1039/C4NJ01085J","","","1.54178","CuKα","","0.0817","0.0704","","","0.2105","0.2274","","","","","","1.131","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054487","6.9516","0.0003","8.1294","0.0003","9.6234","0.0004","74.586","0.004","80.157","0.004","83.657","0.003","515.35","0.04","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C18 H32 N4 O6 -","2","1","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.042","0.0387","","","0.1094","0.1125","","","","","","1.089","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054488","6.77997","0.00017","14.4971","0.0004","9.8785","0.0003","90","","100.572","0.003","90","","954.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Cl N2 -","- C8 H15 Cl N2 -","- C32 H60 Cl4 N8 -","4","1","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.0413","0.0366","","","0.1014","0.1064","","","","","","1.068","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054489","19.8873","0.0006","19.8873","0.0006","14.4048","0.0004","90","","90","","120","","4933.9","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C162 H306 Cl18 N36 -","18","","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.0522","0.0399","","","0.0934","0.0981","","","","","","1.031","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054490","12.3316","0.0007","21.3475","0.0011","8.8212","0.0005","90","","92.34","0.003","90","","2320.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C128 H88 N8 O4 -","4","1","","Jayabharathi, Jayaraman; Ramanathan, Periyasamy; Thanikachalam, Venugopal","Synthesis and optical properties of phenanthromidazole derivatives for organic electroluminescent devices","New J. Chem.","2015","39","1","142","","10.1039/C4NJ01515K","","","0.71073","MoKα","","0.1092","0.0528","","","0.1186","0.1422","","","","","","1.024","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054491","9.575","0.009","20.505","0.017","15.88","0.015","90","","105.413","0.011","90","","3006","5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-phenyl-1-H-1,2,3-triazol-1-yl) phenol complex with Tetra-n-butylammonium fluoride","","- C30 H47 F N4 O -","- C30 H47 F N4 O -","- C120 H188 F4 N16 O4 -","4","1","","Ghosh, Debanjana; Rhodes, Shannon; Hawkins, Karena; Winder, Domonique; Atkinson, Austin; Ming, Weihua; Padgett, Clifford; Orvis, Jeffrey; Aiken, Karelle; Landge, Shainaz","A simple and effective 1,2,3-triazole based “turn-on” fluorescence sensor for the detection of anions","New J. Chem.","2015","39","1","295","","10.1039/C4NJ01411A","","","0.71075","MoKα","","","0.0642","","","","0.2037","","","","","","1.066","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054492","16.2354","0.0008","19.1181","0.001","8.2268","0.0004","90","","90","","90","","2553.5","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H14 O5 Pb -","- C12 H14 O5 Pb -","- C96 H112 O40 Pb8 -","8","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.0557","0.0326","","","0.0678","0.0798","","","","","","1.025","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054493","18.7933","0.0009","17.7755","0.0006","8.2471","0.0003","90","","99.723","0.004","90","","2715.45","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O9 Pb3 -","- C24 H24 O9 Pb3 -","- C96 H96 O36 Pb12 -","4","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.0975","0.0599","","","0.1319","0.1551","","","","","","1.029","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054494","18.4043","0.0005","30.9956","0.0009","6.9963","0.0002","90","","90","","90","","3991.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H36 O13 Pb4 -","- C36 H36 O13 Pb4 -","- C144 H144 O52 Pb16 -","4","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.041","0.0354","","","0.0749","0.0778","","","","","","1.055","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054495","10.594","0.0005","14.2967","0.0007","14.5177","0.0008","84.866","0.001","68.83","0.001","77.339","0.001","2000.46","0.18","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Fe N8 O2 Se2 -","- C40 H44 Fe N8 O2 Se2 -","- C80 H88 Fe2 N16 O4 Se4 -","2","1","","Nguyen, Luong Lam; Guillot, Régis; Laisney, Jérôme; Rechignat, Lionel; Bedoui, Salma; Molnár, Gabor; Rivière, Eric; Boillot, Marie-Laure","Fe(Me2-bpy)2(NCSe)2spin-crossover micro- and nanoparticles showing spin-state switching above 250 K","New J. Chem.","2015","39","3","1603","","10.1039/C4NJ01257G","","x-ray","0.71073","MoKα","","0.0978","0.0632","","","0.1633","0.1832","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054496","12.203","0.001","19.513","0.002","15.887","0.001","90","","90.858","0.002","90","","3782.5","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Fe N8 O3 Se2 -","- C38 H36 Fe N8 O3 Se2 -","- C152 H144 Fe4 N32 O12 Se8 -","4","1","","Nguyen, Luong Lam; Guillot, Régis; Laisney, Jérôme; Rechignat, Lionel; Bedoui, Salma; Molnár, Gabor; Rivière, Eric; Boillot, Marie-Laure","Fe(Me2-bpy)2(NCSe)2spin-crossover micro- and nanoparticles showing spin-state switching above 250 K","New J. Chem.","2015","39","3","1603","","10.1039/C4NJ01257G","","x-ray","0.71069","MoKα","","0.0845","0.0464","","","0.1128","0.129","","","","","","1.038","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054497","12.3157","0.0012","19.6569","0.0019","22.945","0.002","90","","90","","90","","5554.7","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H41 Au N P S2 -","- C27 H41 Au N P S2 -","- C216 H328 Au8 N8 P8 S16 -","8","1","","Altaf, Muhammad; Monim-ul-Mehboob, M.; Isab, Anvarhusein A.; Dhuna, Vikram; Bhatia, Gaurav; Dhuna, Kshitija; Altuwaijri, Saleh","The synthesis, spectroscopic characterization and anticancer activity of new mono and binuclear phosphanegold(i) dithiocarbamate complexes","New J. Chem.","2015","39","1","377","","10.1039/C4NJ00747F","","","0.71073","MoKα","","0.0541","0.0277","","","0.0587","0.0623","","","","","","0.793","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054498","28.3533","0.0011","28.3533","0.0011","15.9781","0.0007","90","","90","","120","","11124.1","0.8","115","","115","","","","","","","","","4","R -3","-R 3","148","","","","- C29.33 H26 N3 O6.17 -","- C29.3333 H25.1667 N3 O6.1667 -","- C528 H453.001 N54 O111.001 -","18","","","Haddad, Saoussen; Boudriga, Sarra; Akhaja, Tarunkumar Nanjibhai; Raval, Jignesh Priyakant; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Rajani, Dhanji","A strategic approach to the synthesis of functionalized spirooxindole pyrrolidine derivatives: in vitro antibacterial, antifungal, antimalarial and antitubercular studies","New J. Chem.","2015","39","1","520","","10.1039/C4NJ01008F","","x-ray","0.71073","MoKα","","0.0445","0.0383","","","0.1005","0.1046","","","","","","1.036","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054499","8.1001","0.0007","9.6437","0.0008","13.9228","0.0012","87.481","0.001","77.694","0.002","77.279","0.001","1036.5","0.15","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 F I3 N3 O3 -","- C17 H19 F I3 N3 O3 -","- C34 H38 F2 I6 N6 O6 -","2","1","","Zou, Wen-Sheng; Lin, Sen; Li, Jia-Yuan; Wei, Hong-Qing; Zhang, Xiao-Qin; Shen, Dong-Xu; Qiao, Jun-Qin; Lian, Hong-Zhen; Xie, Dai-Qian; Ge, Xin","Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution","New J. Chem.","2015","39","1","262","","10.1039/C4NJ01396D","","","0.71073","MoKα","","0.0866","0.0559","","","0.1106","0.1159","","","","","","1.044","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054500","19.0809","0.0007","11.3904","0.0004","23.6108","0.0004","90","","107.42","0.002","90","","4896.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0478","0.0322","","","0.0699","0.0764","","","","","","1.029","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054501","19.165","0.003","11.6749","0.0016","22.449","0.003","90","","107.772","0.003","90","","4783.2","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.38745","Synchrotron","","0.0577","0.0352","","","0.0698","0.0781","","","","","","1.001","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054502","19.334","0.0007","11.456","0.0003","23.831","0.0009","90","","107.131","0.004","90","","5044.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.1083","0.0571","","","0.0933","0.109","","","","","","1.046","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054503","7.5011","0.0006","13.0676","0.001","24.704","0.003","90","","90","","90","","2421.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.079","0.0498","","","0.0857","0.0919","","","","","","0.935","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054504","7.5422","0.0003","13.5725","0.0005","24.6626","0.0009","90","","90","","90","","2524.62","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0498","0.033","","","0.0578","0.0606","","","","","","0.897","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054505","15.903","0.0005","14.218","0.0005","19.6342","0.0005","90","","90","","90","","4439.5","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(isothiocyanato)-(N,N'-bis(5-nitro-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C20 H19 Fe N6 O6 S -","- C20 H19 Fe N6 O6 S -","- C160 H152 Fe8 N48 O48 S8 -","8","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0533","0.0383","","","0.091","0.0943","","","","","","1.052","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054506","11.0321","0.0009","11.3322","0.0009","18.9441","0.0015","90","","96.974","0.003","90","","2350.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(azido)-(N,N'-bis(3-ethoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C23 H29 Fe N6 O4 -","- C23 H29 Fe N6 O4 -","- C92 H116 Fe4 N24 O16 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","x-ray","0.71073","MoKα","","0.0281","0.0249","","","0.0656","0.0679","","","","","","1.061","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054507","18.2879","0.0007","11.8974","0.0004","17.3763","0.0007","90","","96.903","0.004","90","","3753.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3,5-di(terc-buthyl)-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C36 H53 Fe N4 O2 S -","- C36 H53 Fe N4 O2 S -","- C144 H212 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0671","0.0393","","","0.0884","0.094","","","","","","0.889","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054508","11.5785","0.0006","11.6541","0.0005","18.2132","0.0008","90","","106.508","0.002","90","","2356.33","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(isothiocyanato)-(N,N'-bis(3-ethoxy-2-oxido-benzylidene)-1,5-diamino-4-azapentene)-iron(iii)","","- C23 H27 Fe N4 O4 S -","- C23 H27 Fe N4 O4 S -","- C92 H108 Fe4 N16 O16 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","x-ray","0.71073","MoKα","","0.0421","0.0318","","","0.0779","0.0834","","","","","","1.041","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054509","7.927","0.001","10.615","0.0011","12.92","0.002","78.84","0.01","74.08","0.02","70.62","0.01","979.9","0.2","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl2 N5 Zn -","- C18 H21 Cl2 N5 Zn -","- C36 H42 Cl4 N10 Zn2 -","2","1","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.1878","0.0989","","","","0.3482","","","","","","1.012","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054510","8.8955","0.0009","14.5691","0.0011","21.5718","0.0019","90","","91.451","0.008","90","","2794.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N6 Zn -","- C28 H26 Cl2 N6 Zn -","- C112 H104 Cl8 N24 Zn4 -","4","1","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.1035","0.0595","","","0.1418","0.1641","","","","","","1.071","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054511","6.4217","0.0001","11.6331","0.0002","34.4621","0.0008","89.715","0.002","85.211","0.002","82.58","0.002","2543.95","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N5 Ni O2 -","- C24 H29 Cl2 N5 Ni O2 -","- C96 H116 Cl8 N20 Ni4 O8 -","4","2","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.0399","0.0348","","","0.0764","0.0793","","","","","","1.11","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054512","26.919","0.005","8.723","0.0017","22.424","0.005","90","","107.99","0.03","90","","5008.1","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cu N3 O4 S -","- C27 H23 Cu N3 O4 S -","- C216 H184 Cu8 N24 O32 S8 -","8","1","","Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping","Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand","New J. Chem.","2015","39","1","529","","10.1039/C4NJ00876F","","","0.71073","MoKα","","0.0869","0.0567","","","0.115","0.1274","","","","","","0.922","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054513","14.759","0.003","13.805","0.003","14.772","0.003","90","","96.14","0.03","90","","2992.5","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N3 Ni O7 S -","- C29 H33 N3 Ni O7 S -","- C116 H132 N12 Ni4 O28 S4 -","4","1","","Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping","Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand","New J. Chem.","2015","39","1","529","","10.1039/C4NJ00876F","","","0.71073","MoKα","","0.0496","0.0448","","","0.1036","0.1066","","","","","","1.039","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054514","15.6778","0.001","3.9598","0.0003","17.4076","0.0014","90","","108.928","0.008","90","","1022.24","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","m-MPCPA","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.0544","0.043","","","0.1079","0.1138","","","","","","1.169","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054515","13.7381","0.0009","8.877","0.0004","17.564","0.0009","90","","103.368","0.006","90","","2083.9","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","o-MPCPA","2-cyano-3-(2-methoxyphenyl)-2-propenamide","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.0672","0.0448","","","0.1034","0.1153","","","","","","1.061","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7054516","3.92","0.002","10.792","0.006","23.124","0.012","90","","93.463","0.008","90","","976.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-MPCPA","2-cyano-3-(4-methoxyphenyl)-2-propenamide","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.1143","0.0824","","","0.2333","0.2367","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054517","13.8001","0.001","14.107","0.0008","14.966","0.001","90","","93.4","0.005","90","","2908.4","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N6 O Ti2 -","- C32 H28 N6 O Ti2 -","- C128 H112 N24 O4 Ti8 -","4","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.096","0.0549","","","0.0985","0.1177","","","","","","1.161","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054518","9.842","0.0005","19.9841","0.0014","15.283","0.0013","90","","99.947","0.007","90","","2960.7","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 S2 Ti2 -","- C30 H36 N2 O3 S2 Ti2 -","- C120 H144 N8 O12 S8 Ti8 -","4","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0806","0.0496","","","0.0881","0.104","","","","","","1.172","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054519","14.5932","0.0012","14.925","0.0011","15.54","0.0008","74.368","0.007","83.551","0.007","61.471","0.006","2863.2","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H78 N3 Si6 Ti3 -","- C51 H78 N3 Si6 Ti3 -","- C102 H156 N6 Si12 Ti6 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0475","0.0324","","","0.0701","0.0815","","","","","","1.129","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054520","7.598","0.0004","11.523","0.0006","25.0561","0.0017","77.795","0.005","89.851","0.006","84.089","0.005","2132.3","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N6 Si4 Ti2 -","- C36 H52 N6 Si4 Ti2 -","- C72 H104 N12 Si8 Ti4 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0956","0.0552","","","0.0973","0.115","","","","","","1.121","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054521","11.475","0.0006","11.6289","0.001","18.8461","0.0013","92.434","0.007","99.597","0.005","96.7","0.005","2457.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N6 Si4 Ti2 -","- C47 H60 N6 Si4 Ti2 -","- C94 H120 N12 Si8 Ti4 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0702","0.045","","","0.091","0.1055","","","","","","1.11","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054522","8.828","0.0004","9.427","0.0008","12.2471","0.0014","71.689","0.006","78.624","0.006","89.462","0.005","947.09","0.15","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Cl2 Si4 Ti2 -","- C32 H52 Cl2 Si4 Ti2 -","- C32 H52 Cl2 Si4 Ti2 -","1","0.5","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0893","0.0677","","","0.1675","0.1924","","","","","","1.061","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054523","9.616","0.006","12.119","0.007","12.594","0.007","90.497","0.01","98.27","0.01","113.05","0.009","1333","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N8 O11 V2 -","- C21 H30 N8 O11 V2 -","- C42 H60 N16 O22 V4 -","2","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.0644","0.0482","","","0.1295","0.1367","","","","","","1.078","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054524","9.9813","0.0013","12.3482","0.0015","13.298","0.0017","103.22","0.002","93.546","0.002","100.63","0.002","1558.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 N8 O12 S V -","- C23 H32 N8 O12 S V -","- C46 H64 N16 O24 S2 V2 -","2","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.074","0.0443","","","0.0998","0.1089","","","","","","0.986","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054525","21.563","0.004","21.563","0.004","24.14","0.008","90","","90","","120","","9720","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N3 O5.5 V -","- C22 H18 N3 O5.5 V -","- C396 H324 N54 O99 V18 -","18","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.0874","0.0632","","","0.172","0.2031","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054526","11.1223","0.0004","13.6579","0.0006","16.7386","0.0007","67.229","0.003","81.64","0.002","71.075","0.002","2217.22","0.17","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","[Pt(p-SC6F4CF3)(triphos)][OTf]","Platinum-triphos-SC7F7 Triflate","","- C42 H33 F10 O3 P3 Pt S2 -","- C42 H33 F10 O3 P3 Pt S2 -","- C84 H66 F20 O6 P6 Pt2 S4 -","2","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","x-ray","0.71073","MoKα","","0.1128","0.0866","","","0.2318","0.2972","","","","","","1.335","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054527","10.2751","0.0003","19.9018","0.0007","19.3686","0.0008","90","","93.744","0.001","90","","3952.3","0.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[Pt(SC6H5)(triphos)][OTf]","Platinum-triphos-SC6H5 Triflate","","- C41 H38 F3 O3 P3 Pt S2 -","- C41 H38 F3 O3 P3 Pt S2 -","- C164 H152 F12 O12 P12 Pt4 S8 -","4","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","","0.71073","MoKα","","0.1106","0.066","","","0.1774","0.2267","","","","","","1.066","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054528","10.188","0.002","19.711","0.004","21.039","0.004","90","","96.02","0.03","90","","4201.7","1.4","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[Pt(SC6F4H)(triphos)][OTf]","Platinum-triphos-SC6F4H Triflate","","- C41 H34 F7 O3 P3 Pt S2 -","- C41 H34 F7 O3 P3 Pt S2 -","- C164 H136 F28 O12 P12 Pt4 S8 -","4","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","","0.71073","MoKα","","0.1537","0.0724","","","0.1729","0.2359","","","","","","1.037","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054529","8.0665","0.0008","8.3119","0.0008","13.9189","0.0014","90.693","0.003","104.018","0.003","118.084","0.003","790.11","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N12 O8 -","- C9 H8 N12 O8 -","- C18 H16 N24 O16 -","2","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety","New J. Chem.","2015","39","2","893","","10.1039/C4NJ01849D","","","0.71073","MoKα","","0.108","0.0451","","","0.0698","0.0795","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054530","17.582","0.001","10.4936","0.0006","15.8405","0.001","90","","111.304","0.002","90","","2722.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C64 H64 N64 O72 -","8","2","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety","New J. Chem.","2015","39","2","893","","10.1039/C4NJ01849D","","","0.71073","MoKα","","0.1073","0.0478","","","0.0932","0.1143","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054531","20.6963","0.0008","4.89894","0.00019","16.9658","0.0007","90","","97.371","0.004","90","","1705.95","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O S -","- C16 H28 N2 O S -","- C64 H112 N8 O4 S4 -","4","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","0.71073","MoKα","","0.0541","0.0445","","","0.1231","0.1339","","","","","","1.067","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054532","23.237","0.002","4.9497","0.0003","15.6429","0.0012","90","","90.966","0.008","90","","1798.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O S -","- C17 H30 N2 O S -","- C68 H120 N8 O4 S4 -","4","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.1948","0.1155","","","0.2385","0.2629","","","","","","1.135","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054533","22.1166","0.0002","19.4545","0.0002","9.42062","0.00013","90","","101.186","0.0013","90","","3976.38","0.08","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O S -","- C18 H32 N2 O S -","- C144 H256 N16 O8 S8 -","8","2","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.0605","0.0493","","","0.1351","0.1468","","","","","","1.032","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054534","4.9139","0.0003","8.2041","0.0005","23.1603","0.001","84.043","0.004","87.033","0.004","78.743","0.005","910.3","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 N2 O S -","- C17 H30 N2 O S -","- C34 H60 N4 O2 S2 -","2","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.0641","0.0549","","","0.1482","0.1599","","","","","","1.044","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054535","10.036","0.002","11.838","0.002","15.884","0.003","79.36","0.03","78.98","0.03","74.71","0.03","1768.7","0.6","12","","12","","","","","","","","","4","P 1","P 1","1","loxistatinic acid (E64c)","[(+)-(2S,3S)-3-(1-[N-(3-methylbutyl)amino]-leucylcarbonyl) oxirane-2-carboxylic acid]","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C60 H104 N8 O20 -","4","4","","Shi, Ming W.; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C.; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bąk, Joanna M.; Jayatilaka, Dylan; Bond, Charles S.; Turner, Michael J.; Stewart, Scott G.; Spackman, Mark A.; Grabowsky, Simon","Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)","New J. Chem.","2015","39","3","1628","","10.1039/C4NJ01503G","","","0.3936","synchrotron","","0.1179","0.1099","","","0.2679","0.2735","","","","","","1.102","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054536","29.7753","0.0009","4.8973","0.0002","13.9889","0.0004","90","","103.74","0.001","90","","1981.47","0.12","293","2","293","2","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis(3,4,5-trimethoxybenzylidene)hydrazine","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","0.5","","Parveen, Mehtab; Azaz, Shaista; Malla, Ali Mohammed; Ahmad, Faheem; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela","Solvent-free, [Et3NH][HSO4] catalyzed facile synthesis of hydrazone derivatives","New J. Chem.","2015","39","1","469","","10.1039/C4NJ01666A","","","0.71073","MoKα","","0.0489","0.0396","","","0.1091","0.1214","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054537","10.13","0.003","10.886","0.003","11.806","0.003","95.962","0.004","105.519","0.003","93.803","0.003","1241.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H8 Br N O9 Ru3 -","- C23 H8 Br N O9 Ru3 -","- C46 H16 Br2 N2 O18 Ru6 -","2","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0446","0.0368","","","0.0932","0.0967","","","","","","0.986","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054538","24.724","0.008","10.628","0.004","23.593","0.008","90","","115.263","0.004","90","","5607","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H17 Br N2 O4 Ru2 -","- C32 H17 Br N2 O4 Ru2 -","- C256 H136 Br8 N16 O32 Ru16 -","8","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.058","0.0417","","","0.1015","0.1106","","","","","","0.992","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054539","23.277","0.016","6.251","0.004","14.611","0.011","90","","92.423","0.012","90","","2124","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Br2 N2 -","- C28 H16 Br2 N2 -","- C112 H64 Br8 N8 -","4","0.5","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0811","0.0403","","","0.0561","0.061","","","","","","0.969","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054540","7.181","0.0006","9.6498","0.0008","16.7441","0.0015","95.889","0.001","98.26","0.001","104.031","0.002","1102.52","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H8 Br N O7 Ru3 -","- C21 H8 Br N O7 Ru3 -","- C42 H16 Br2 N2 O14 Ru6 -","2","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0572","0.0356","","","0.0757","0.0871","","","","","","1.046","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054541","9.241","0.006","13.168","0.009","8.138","0.006","90","","112.245","0.009","90","","916.6","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O4 Ru2 -","- C22 H14 O4 Ru2 -","- C44 H28 O8 Ru4 -","2","0.5","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0342","0.0327","","","0.0842","0.0855","","","","","","1.175","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054542","13.5255","0.0013","12.8602","0.0009","15.6149","0.0014","90","","114.691","0.002","90","","2467.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 Br N O5 Ru2 -","- C27 H16 Br N O5 Ru2 -","- C108 H64 Br4 N4 O20 Ru8 -","4","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0687","0.0443","","","0.1113","0.128","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054543","46.333","0.003","17.299","0.001","32.343","0.002","90","","123.542","0.001","90","","21607","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H59.33 Eu2 N12 O11.67 -","- C69 H51 Eu2 N12 O11.6667 -","- C828 H612 Eu24 N144 O140 -","12","1.5","","Das, Kuheli; Nandi, Soumendra; Mondal, Sudipa; Askun, Tulin; Cantürk, Zerrin; Celikboyun, Pinar; Massera, Chiara; Garribba, Eugenio; Datta, Amitabha; Sinha, Chittaranjan; Akitsu, Takashiro","Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and biological study in human cell lines","New J. Chem.","2015","39","2","1101","","10.1039/C4NJ01464B","","","0.71069","MoKα","","0.0977","0.0525","","","0.1378","0.1633","","","","","","1.019","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054544","12.6452","0.0006","15.0817","0.0007","20.7038","0.0009","101.662","0.001","97.13","0.001","106.03","0.001","3648","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H104 Li N8 Nd O3 -","- C80 H104 Li N8 Nd O3 -","- C160 H208 Li2 N16 Nd2 O6 -","2","1","","Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds","New J. Chem.","2015","39","2","1083","","10.1039/C4NJ01698J","","","0.71073","MoKα","","0.0507","0.0405","","","0.1023","0.1071","","","","","","1.057","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054545","23.9499","0.0016","19.4258","0.0013","21.8709","0.0014","90","","116.878","0.001","90","","9076.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 N5 Nd O Si2 -","- C46 H68 N5 Nd O Si2 -","- C368 H544 N40 Nd8 O8 Si16 -","8","2","","Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds","New J. Chem.","2015","39","2","1083","","10.1039/C4NJ01698J","","","0.71073","MoKα","","0.0858","0.077","","","0.1598","0.1628","","","","","","1.154","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054546","13.0391","0.0005","6.8246","0.0003","15.9891","0.001","90","","92.828","0.005","90","","1421.08","0.12","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H28 Br2 F8 N4 -","- C26 H28 Br2 F8 N4 -","- C52 H56 Br4 F16 N8 -","2","0.5","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0461","0.0382","","","0.0967","0.1038","","","","","","1.052","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054547","13.647","0.0003","12.4533","0.0002","22.0643","0.0004","90","","90","","90","","3749.83","0.12","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Br F7 N2 O -","- C18 H18 Br F7 N2 O -","- C144 H144 Br8 F56 N16 O8 -","8","1","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0745","0.047","","","0.109","0.1189","","","","","","1.037","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054548","7.32285","0.00013","13.0124","0.0002","26.9145","0.0005","90","","90","","90","","2564.62","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N3-{[(o-carboran-1-yl)propyl]-1N-1,2,3-triazol-4-yl}methylenethymidine","","- C18 H33 B10 N5 O5 -","- C18 H33 B10 N5 O5 -","- C72 H132 B40 N20 O20 -","4","1","","Matuszewski, Michał; Kiliszek, Agnieszka; Rypniewski, Wojciech; Lesnikowski, Zbigniew J.; Olejniczak, Agnieszka B.","Nucleoside bearing boron clusters and their phosphoramidites ‒ building blocks for modified oligonucleotide synthesis","New J. Chem.","2015","39","2","1202","","10.1039/C4NJ01096E","","","1.54184","CuKα","","0.039","0.0351","","","0.0933","0.0946","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7054549","12.6104","0.0002","10.35013","0.00019","37.1231","0.0008","90","","90","","90","","4845.28","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H16.86 Fe2 N12 O8.43 S5 -","- C4 H16 Fe2 N12 O8.43 S5 -","- C32 H128 Fe16 N96 O67.44 S40 -","8","1","","Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V.","Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+","New J. Chem.","2015","39","2","1022","","10.1039/C4NJ01693A","","","0.7107","MoKα","","0.0725","0.0583","","","0.0908","0.0945","","","","","","1.245","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054550","6.2712","0.0003","10.4132","0.0005","12.1912","0.0005","86.462","0.004","88.363","0.004","87.613","0.004","793.65","0.06","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Fe4 N16 O14 S8 -","- C4 H16 Fe4 N16 O14 S8 -","- C4 H16 Fe4 N16 O14 S8 -","1","0.5","","Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V.","Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+","New J. Chem.","2015","39","2","1022","","10.1039/C4NJ01693A","","","0.71073","MoKα","","0.0622","0.0415","","","0.0787","0.0915","","","","","","1.048","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054551","9.4934","0.0003","13.2045","0.0004","14.699","0.0005","76.486","0.002","85.811","0.002","83.394","0.002","1777.66","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis[aquatri(dimethylaminoethanolato)yttrium dicopper(II) triacetate] toluene sovate","","- C13.4 H24.5 Cl0 Cu N1.5 O5.92 Y0.5 -","- C13.4 H24.5 Cu N1.5 O5.922 Y0.5 -","- C53.6 H98 Cu4 N6 O23.688 Y2 -","4","2","","Ahmed, Sohail; Mansoor, Muhammad Adil; Basirun, Wan Jefrey; Sookhakian, Mehran; Huang, Nay Ming; Mun, Lo Kong; Söhnel, Tilo; Arifin, Zainudin; Mazhar, Muhammad","The synthesis and characterization of a hexanuclear copper‒yttrium complex for deposition of semiconducting CuYO2‒0.5Cu2O composite thin films","New J. Chem.","2015","39","2","1031","","10.1039/C4NJ01602E","","","0.71073","MoKα","","0.0391","0.0296","","","0.0762","0.0808","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054552","15.368","0.01","8.37","0.006","13.71","0.009","90","","101.697","0.012","90","","1727","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu4 N10 -","- C12 H12 Cu4 N10 -","- C48 H48 Cu16 N40 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin","Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands","New J. Chem.","2015","39","2","1301","","10.1039/C4NJ01499E","","","0.71073","MoKα","","0.1241","0.0499","","","0.1123","0.1397","","","","","","1.01","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054553","15.836","0.005","24.736","0.007","7.948","0.002","90","","90","","90","","3113.4","1.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H8 Cu N4 -","- C6 H8 Cu N4 -","- C96 H128 Cu16 N64 -","16","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin","Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands","New J. Chem.","2015","39","2","1301","","10.1039/C4NJ01499E","","","0.71073","MoKα","","0.024","0.0235","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054554","33.1","0.008","11.236","0.002","8.061","0.002","90","","97.58","0.03","90","","2971.8","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl O4 P -","- C12 H18 Cl O4 P -","- C96 H144 Cl8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71073","MoKα","","0.1173","0.0858","","","0.2375","0.2521","","","","","","1.082","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054555","33.434","0.014","11.241","0.005","7.946","0.003","90","","97.374","0.005","90","","2962","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br O4 P -","- C12 H18 Br O4 P -","- C96 H144 Br8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0375","0.036","","","0.0922","0.0935","","","","","","1.074","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054556","34.091","0.018","11.245","0.006","8.001","0.004","90","","97.511","0.011","90","","3041","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 I O4 P -","- C12 H18 I O4 P -","- C96 H144 I8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0804","0.0671","","","0.2019","0.2136","","","","","","1.077","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054557","33.71","0.016","6.824","0.003","17.253","0.008","90","","90.834","0.008","90","","3968","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 O4 P -","- C20 H27 O4 P -","- C160 H216 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.07","0.0667","","","0.1676","0.1702","","","","","","1.143","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054558","13.664","0.009","10.956","0.006","23.642","0.014","90","","98.563","0.012","90","","3500","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 N O4 P -","- C39 H48 N O4 P -","- C156 H192 N4 O16 P4 -","4","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.1581","0.1244","","","0.2379","0.2577","","","","","","1.211","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054559","6.69","0.002","9.064","0.003","17.502","0.005","79.175","0.012","89.61","0.012","82.167","0.012","1032.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 O5 P -","- C21 H27 O5 P -","- C42 H54 O10 P2 -","2","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0421","0.0398","","","0.0997","0.1014","","","","","","1.078","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054560","41.181","0.013","11.01","0.003","8.186","0.003","90","","92.162","0.006","90","","3709","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 O5 P -","- C19 H23 O5 P -","- C152 H184 O40 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0487","0.0466","","","0.1099","0.1113","","","","","","1.077","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054561","26.008","0.003","6.836","0.0008","22.709","0.003","90","","123.384","0.002","90","","3371.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6.5 N5 O1.75 -","- C8 H6.5 N5 O1.75 -","- C128 H104 N80 O28 -","16","2","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.066","0.0432","","","0.1266","0.1531","","","","","","1.176","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054562","19.315","0.004","8.088","0.0016","11.97","0.002","90","","94.203","0.009","90","","1864.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Mn N10 O6 -","- C16 H16 Mn N10 O6 -","- C64 H64 Mn4 N40 O24 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.0345","0.028","","","0.0641","0.067","","","","","","0.985","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054563","19.02","0.003","8.0801","0.0012","11.953","0.0017","90","","94.235","0.008","90","","1832","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N10 O6 Zn -","- C16 H16 N10 O6 Zn -","- C64 H64 N40 O24 Zn4 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.0281","0.0251","","","0.0639","0.0653","","","","","","1.068","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054564","19.4542","0.0007","8.1626","0.0003","12.0696","0.0005","90","","94.203","0.002","90","","1911.46","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cd N10 O6 -","- C16 H16 Cd N10 O6 -","- C64 H64 Cd4 N40 O24 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.021","0.0202","","","0.0671","0.0676","","","","","","1.121","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054565","6.8792","0.0011","20.841","0.003","13.359","0.003","90","","103.471","0.012","90","","1862.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N5 O1.5 -","- C9 H8 N5 O1.5 -","- C72 H64 N40 O12 -","8","2","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.1283","0.0549","","","0.1391","0.1746","","","","","","0.959","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7054566","13.3142","0.0003","15.6092","0.0003","14.3394","0.0004","90","","98.779","0.001","90","","2945.16","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Br Cl2 Cu N6 -","- C30 H32 Br Cl2 Cu N6 -","- C120 H128 Br4 Cl8 Cu4 N24 -","4","1","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.0859","0.061","","","0.1627","0.1863","","","","","","1.086","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054567","25.9994","0.0017","15.1102","0.001","17.1561","0.0011","90","","107.436","0.003","90","","6430.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl4 Cu2 N6 -","- C30 H32 Cl4 Cu2 N6 -","- C240 H256 Cl32 Cu16 N48 -","8","2","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.1598","0.092","","","0.2418","0.2887","","","","","","1.02","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054568","10.2448","0.0009","12.581","0.0011","13.3336","0.0011","71.022","0.002","86.393","0.002","66.479","0.002","1485.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Ag Cl N6 O4 -","- C29 H30 Ag Cl N6 O4 -","- C58 H60 Ag2 Cl2 N12 O8 -","2","1","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.0639","0.0474","","","0.1193","0.126","","","","","","1.031","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054569","13.3203","0.0003","25.2381","0.0007","15.0807","0.0003","90","","109.346","0.001","90","","4783.5","0.2","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 B Co F4 N6 O6 P2 S2 -","- C43 H35 B Co F4 N6 O6 P2 S2 -","- C172 H140 B4 Co4 F16 N24 O24 P8 S8 -","4","1","","Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying","Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions","New J. Chem.","2015","39","2","1051","","10.1039/C4NJ01540A","","","0.71073","MoKα","","0.1008","0.0608","","","0.1621","0.1812","","","","","","1.036","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054570","9.43","0.0008","12.8553","0.001","21.7668","0.0018","93.409","0.006","91.482","0.006","111.218","0.005","2452.3","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H47 B F4 N6 Ni O5 P2 S2 -","- C42 H47 B F4 N6 Ni O5 P2 S2 -","- C84 H94 B2 F8 N12 Ni2 O10 P4 S4 -","2","1","","Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying","Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions","New J. Chem.","2015","39","2","1051","","10.1039/C4NJ01540A","","","0.71073","MoKα","","0.0932","0.0675","","","0.1964","0.2148","","","","","","1.063","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054571","4.919","0.002","7.285","0.001","18.574","0.002","84.19","0.01","86.42","0.01","84.08","0.02","657.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O4 S4 -","- C24 H34 O4 S4 -","- C24 H34 O4 S4 -","1","0.5","","Turbiez, Mathieu; Faye, Djibril; Leriche, Philippe; Frère, Pierre","Bis-EDOT end capped by n-hexyl or n-hexylsulfanyl groups: the effect of the substituents on the stability of the oxidized states","New J. Chem.","2015","39","3","1678","","10.1039/C4NJ01684J","","x-ray","0.71073","MoKα","","0.0838","0.0571","","","0.1577","0.1763","","","","","","1.032","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054572","10.1585","0.0004","10.1585","0.0004","19.0174","0.0005","90","","90","","90","","1962.5","0.12","100","1","100","1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H27 F N2 O4 -","- C19 H27 F N2 O4 -","- C76 H108 F4 N8 O16 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71073","MoKα","","0.0348","0.0321","","","0.0833","0.0851","","","","","","1.028","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054573","5.35","0.0009","20.2","0.003","29.927","0.004","90","","90","","90","","3234.2","0.8","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 F4 N4 O7 -","- C32 H40 F4 N4 O7 -","- C128 H160 F16 N16 O28 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71069","MoKα","","0.1212","0.0682","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054574","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya","Coordination polymers with free Brønsted acid sites for selective catalysis","New J. Chem.","2015","39","2","810","","10.1039/C4NJ01898B","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054575","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya","Coordination polymers with free Brønsted acid sites for selective catalysis","New J. Chem.","2015","39","2","810","","10.1039/C4NJ01898B","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054576","13.0584","0.0003","17.2823","0.0003","17.4795","0.0004","90","","94.228","0.002","90","","3934.02","0.15","190","","190","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O12 S4 -","- C36 H36 N4 O12 S4 -","- C144 H144 N16 O48 S16 -","4","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0619","0.0493","","0.1598","0.1378","0.1598","","","","","","0.9865","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054577","11.0672","0.0008","12.3077","0.0011","18.3099","0.0011","101.125","0.007","95.076","0.006","102.421","0.007","2367.8","0.3","170","","170","","","","101","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O12 S4 -","- C44 H52 N4 O12 S4 -","- C88 H104 N8 O24 S8 -","2","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0745","0.0613","","0.213","0.1779","0.196","","","","","","0.921","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054578","13.2452","0.00012","13.2452","0.00012","14.9787","0.0002","90","","90","","90","","2627.79","0.05","170","","170","","","","101","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H58 N6 O12 S4 -","- C48 H58 N6 O12 S4 -","- C96 H116 N12 O24 S8 -","2","0.25","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0851","0.08","","0.2601","0.2505","0.2601","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054579","12.73537","0.00012","12.73537","0.00012","28.8831","0.0003","90","","90","","90","","4684.54","0.08","190","","190","","","","101","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C52 H36 N4 O12 S4 -","- C52 H36 N4 O12 S4 -","- C208 H144 N16 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0464","0.0437","","0.1148","0.1044","0.1148","","","","","","1.0794","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054580","27.261","0.0014","16.3468","0.0003","17.9466","0.0009","90","","139.366","0.01","90","","5208.2","1.1","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 N4 O12 S4 -","- C48 H60 N4 O12 S4 -","- C192 H240 N16 O48 S16 -","4","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.54184","CuKα","","0.0766","0.0588","","0.131","0.1079","0.1309","","","","","","1.0005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054581","11.2845","0.0012","18.1827","0.0017","18.8706","0.0019","90","","105.953","0.01","90","","3722.8","0.7","180","","180","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 N4 O12 S4 -","- C36 H20 N4 O12 S4 -","- C144 H80 N16 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.54184","CuKα","","0.1203","0.1094","","0.218","0.2151","0.218","","","","","","0.9798","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054582","12.64786","0.00019","14.04823","0.00019","13.3958","0.0002","90","","101.233","0.0015","90","","2334.57","0.06","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O12 S4 -","- C44 H52 N4 O12 S4 -","- C88 H104 N8 O24 S8 -","2","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0547","0.0534","","0.1274","0.1223","0.1274","","","","","","0.9794","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054583","28.7209","0.0004","19.3593","0.0004","13.9154","0.0004","90","","136.11","0.003","90","","5364","0.4","120","0.14","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H56 N8 O12 S4 -","- C48 H56 N8 O12 S4 -","- C192 H224 N32 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","x-ray","1.5418","CuKα","","0.058","0.0511","","","0.1383","0.1425","","","","2.37","2.37","2.26","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054585","15.65","0.01","17.82","0.01","26.44","0.02","70.56","0.03","86.08","0.03","87.57","0.04","6936","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C150.6 H206.4 N8 O14.6 -","- C150.6 H206.4 N8 O14.6 -","- C301.2 H412.8 N16 O29.2 -","2","1","","Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Pisagatti, Ilenia; Marcos, Paula Maria; Ascenso, José Rosário; Brancatelli, Giovanna; Geremia, Silvano","Selective recognition of biogenic amine hydrochlorides by heteroditopic dihomooxacalix[4]arenes","New J. Chem.","2015","39","2","817","","10.1039/C4NJ01423E","","","0.7","","","0.1594","0.1288","","","0.3366","0.3641","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054586","15.6352","0.0002","16.2677","0.0002","8.8947","0.00012","90","","103.891","0.0014","90","","2196.2","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 S -","- C26 H25 N3 O2 S -","- C104 H100 N12 O8 S4 -","4","1","","Sharma, Shilpa; Pradeep, Chullikkattill. P.; Dhir, Abhimanew","Dansyl-carbazole AIEE material for selective recognition of thiourea derivatives","New J. Chem.","2015","39","3","1822","","10.1039/C4NJ01800A","","","0.71073","MoKα","","0.0326","0.0307","","","0.0772","0.0786","","","","","","1.065","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054587","14.9946","0.0006","17.0429","0.0007","22.7907","0.0008","90","","128.291","0.002","90","","4571.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Er N2 O6 -","- C55 H41 Er N2 O6 -","- C220 H164 Er4 N8 O24 -","4","1","","Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús","Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine","New J. Chem.","2015","39","3","1703","","10.1039/C4NJ01828A","","","0.71073","MoKα","","0.0334","0.0208","","","0.0457","0.0513","","","","","","1.04","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054588","15.2886","0.0006","17.7424","0.0007","20.7735","0.0007","73.91","0.002","70.046","0.002","68.647","0.002","4857.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H41 Er N2 O6 -","- C55 H41 Er N2 O6 -","- C220 H164 Er4 N8 O24 -","4","2","","Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús","Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine","New J. Chem.","2015","39","3","1703","","10.1039/C4NJ01828A","","","0.71073","MoKα","","0.1672","0.0664","","","0.1354","0.1627","","","","","","0.869","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054589","13.9619","0.0007","25.3276","0.0014","12.567","0.0006","90","","104.037","0.003","90","","4311.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Cu N7 S2 -","- C50 H44 B Cu N7 S2 -","- C200 H176 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.1307","0.0601","","","0.1397","0.1773","","","","","","0.987","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054590","17.804","0.005","18.099","0.005","17.81","0.005","90","","119.686","0.006","90","","4986","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 B Cu N7 S2 -","- C60 H48 B Cu N7 S2 -","- C240 H192 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.1377","0.0689","","","0.18","0.2489","","","","","","0.995","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054591","13.9204","0.0014","25.042","0.003","12.6285","0.0013","90","","102.523","0.002","90","","4297.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 B Cu N7 S2 -","- C50 H42 B Cu N7 S2 -","- C200 H168 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.0677","0.0448","","","0.1283","0.1717","","","","","","1.024","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054592","15.7805","0.0009","5.0908","0.0003","21.06","0.0013","90","","110.851","0.001","90","","1581.06","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Ragab, Sherif Shaban; Swaminathan, Subramani; Garcia-Amorós, Jaume; Captain, Burjor; Raymo, Françisco M.","Bimolecular photoactivation of NBD fluorescence","New J. Chem.","2015","39","3","1570","","10.1039/C4NJ01983K","","","0.71073","MoKα","","0.0523","0.038","","","0.0949","0.1034","","","","","","1.038","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054593","15.5059","0.0003","11.4074","0.0002","16.1421","0.0003","90","","100.036","0.0016","90","","2811.56","0.09","99.99","0.17","99.99","0.17","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl2 N5 Ni O9 -","- C26 H25 Cl2 N5 Ni O9 -","- C104 H100 Cl8 N20 Ni4 O36 -","4","1","","Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng","Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand","New J. Chem.","2015","39","3","1734","","10.1039/C4NJ01858C","","","1.54184","CuKα","","","0.0421","","","0.1041","0.1093","","","","","","1.054","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054594","15.5452","0.0002","11.45475","0.00014","16.1105","0.0002","90","","99.8494","0.0012","90","","2826.46","0.06","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl2 Co N5 O9 -","- C26 H25 Cl2 Co N5 O9 -","- C104 H100 Cl8 Co4 N20 O36 -","4","1","","Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng","Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand","New J. Chem.","2015","39","3","1734","","10.1039/C4NJ01858C","","","1.54184","CuKα","","","0.0308","","","0.0751","0.0781","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054595","11.307","0.0004","13.8002","0.0004","17.341","0.0005","70.683","0.002","73.734","0.002","71.237","0.002","2371.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Cl6 N5 O8 -","- C39 H55 Cl6 N5 O8 -","- C78 H110 Cl12 N10 O16 -","2","1","","Pike, Sarah J.; Boddaert, Thomas; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Participation of non-aminoisobutyric acid (Aib) residues in the 310helical conformation of Aib-rich foldamers: a solid state study","New J. Chem.","2015","39","5","3288","","10.1039/C4NJ01547A","","","1.54178","CuKα","","0.0815","0.0659","","","0.1562","0.1683","","","","","","1.07","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054596","19.2677","0.0013","14.6496","0.0008","22.219","0.002","90","","122.706","0.005","90","","5277.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 Cl4 P2 Ru -","- C54 H82 Cl4 P2 Ru -","- C216 H328 Cl16 P8 Ru4 -","4","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.71073","MoKα","","0.0818","0.0634","","","0.1641","0.1795","","","","","","1.053","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054597","46.1591","0.0018","46.1591","0.0018","13.9447","0.0003","90","","90","","120","","25730.9","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C51 H76 Cl2 P2 Ru -","- C51 H76 Cl2 P2 Ru -","- C918 H1368 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","1.5418","CuKα","","0.0932","0.0628","","","0.1603","0.1812","","","","","","0.955","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054598","11.4775","0.0003","19.2194","0.0005","25.7969","0.0006","90","","96.478","0.002","90","","5654.2","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 Cl2 O P Ru -","- C28 H45 Cl2 O P Ru -","- C224 H360 Cl16 O8 P8 Ru8 -","8","2","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.7107","MoKα","","0.1065","0.0543","","","0.1042","0.125","","","","","","0.968","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054599","10.2241","0.0008","12.7121","0.001","20.0557","0.0016","72.94","0.007","76.718","0.007","81.407","0.006","2415.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 Cl2 P2 Ru -","- C53 H44 Cl2 P2 Ru -","- C106 H88 Cl4 P4 Ru2 -","2","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.71073","MoKα","","0.0843","0.0619","","","0.1616","0.1767","","","","","","1.026","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054600","6.6764","0.0002","16.5673","0.0006","11.6107","0.0003","90","","92.308","0.003","90","","1283.22","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","1.5418","CuKα","","0.045","0.0383","","","0.1005","0.1072","","","","","","1.062","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054601","47.1514","0.0015","47.1514","0.0015","13.6692","0.0003","90","","90","","120","","26318.6","1.3","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C53 H80 Cl2 P2 Ru -","- C53 H80 Cl2 P2 Ru -","- C954 H1440 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.0967","0.072","","","0.1589","0.1715","","","","","","1.049","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054602","46.042","0.0017","46.042","0.0017","14.0313","0.0003","90","","90","","120","","25759.5","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C55 H78 Cl2 P2 Ru -","- C55 H78 Cl2 P2 Ru -","- C990 H1404 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1289","0.0968","","","0.2133","0.2263","","","","","","1.032","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054603","45.479","0.003","45.479","0.003","14.179","0.0005","90","","90","","120","","25398","3","100","0.1","100","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C51 H75 Cl2 F P2 Ru -","- C51 H75 Cl2 F P2 Ru -","- C918 H1350 Cl36 F18 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1537","0.0916","","","0.1781","0.2086","","","","","","0.962","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054604","10.1589","0.0011","11.3338","0.0012","11.6688","0.0014","68.322","0.001","67.396","0.001","82.841","0.002","1152.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O4 -","- C26 H25 N3 O4 -","- C52 H50 N6 O8 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0931","0.0513","","","0.1346","0.172","","","","","","0.973","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054605","7.3752","0.0006","10.9275","0.0009","14.5614","0.0012","101.707","0.002","92.769","0.001","98.544","0.001","1132.64","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O3 -","- C25 H24 N4 O3 -","- C50 H48 N8 O6 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.1387","0.0721","","","0.1896","0.2453","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054606","7.7356","0.0007","10.8256","0.0008","13.5508","0.0011","112.683","0.002","90.907","0.001","107.741","0.001","985.67","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0735","0.0446","","","0.1076","0.132","","","","","","1.044","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054607","9.5274","0.0008","10.4205","0.0009","14.7518","0.0013","77.254","0.001","82.096","0.001","84.377","0.002","1411.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 O3 -","- C32 H34 N4 O3 -","- C64 H68 N8 O6 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.2033","0.0729","","","0.1616","0.2464","","","","","","1.01","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054608","7.2287","0.0006","11.0934","0.0009","14.0509","0.0014","107.981","0.002","99.534","0.001","105.146","0.001","996.58","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0627","0.0427","","","0.1076","0.1258","","","","","","0.971","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054609","8.4482","0.0007","10.4238","0.0011","13.9303","0.0012","86.458","0.002","77.239","0.001","86.317","0.002","1192.54","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O6 -","- C27 H25 N3 O6 -","- C54 H50 N6 O12 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.1562","0.064","","","0.1427","0.1892","","","","","","0.995","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054610","11.552","0.0001","12.366","0.0001","22.149","0.0002","90","","97.83","","90","","3134.53","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Al2 N2 O4 -","- C34 H36 Al2 N2 O4 -","- C136 H144 Al8 N8 O16 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0475","0.0374","","","0.0982","0.1063","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7054611","12.0601","0.0002","22.5938","0.0003","35.5013","0.0006","90","","90","","90","","9673.5","0.3","150","2","150","2","","","","","","","","6","P b n 21","P 2c -2ab","33","","","","- C102 H95 Al4 Cl8 N4 O8 -","- C102 H95 Al4 Cl8 N4 O8 -","- C408 H380 Al16 Cl32 N16 O32 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.115","0.0756","","","0.1719","0.195","","","","","","1.038","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054612","13.632","0.003","19.128","0.0017","25.491","0.002","90","","99.037","0.007","90","","6564.3","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H100 Al2 N2 O4 -","- C69 H100 Al2 N2 O4 -","- C276 H400 Al8 N8 O16 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.1104","0.0638","","","0.1417","0.1716","","","","","","1.043","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054613","22.383","0.0016","5.781","0.0005","17.844","0.0016","90","","99.915","0.004","90","","2274.5","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.047","0.0372","","","0.0855","0.0923","","","","","","1.064","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054614","9.505","0.0002","11.258","0.0002","13.533","0.0003","90","","109.058","0.001","90","","1368.76","0.05","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0696","0.0458","","","0.1046","0.1182","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054615","8.041","0.0005","8.647","0.0006","18.742","0.001","90","","95.121","0.004","90","","1297.94","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0482","0.0357","","","0.0857","0.093","","","","","","1.031","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054616","9.96","0.0001","24.276","0.0003","12.226","0.0002","90","","104.981","0.001","90","","2855.64","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N O2 -","- C30 H45 N O2 -","- C120 H180 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0651","0.05","","","0.1286","0.1392","","","","","","1.033","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054617","8.3983","0.0008","25.31","0.003","14.1228","0.0016","90","","105.357","0.002","90","","2894.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Eu2 I6 N2 O16 -","- C48 H42 Eu2 I6 N2 O16 -","- C96 H84 Eu4 I12 N4 O32 -","2","0.5","","Monteiro, Jorge H. S. K.; de Bettencourt-Dias, Ana; Mazali, Italo O.; Sigoli, Fernando A.","The effect of 4-halogenobenzoate ligands on luminescent and structural properties of lanthanide complexes: experimental and theoretical approaches","New J. Chem.","2015","39","3","1883","","10.1039/C4NJ01701C","","","0.71073","MoKα","","0.056","0.0331","","","0.0492","0.0539","","","","","","1.01","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054618","8.782","0.005","11.521","0.005","14.083","0.005","106.769","0.005","98.537","0.005","91.636","0.005","1345.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Mo N4 O7 S -","- C25 H26 Mo N4 O7 S -","- C50 H52 Mo2 N8 O14 S2 -","2","1","","Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando","Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands","New J. Chem.","2015","39","3","2130","","10.1039/C4NJ02208D","","","0.71073","MoKα","","0.0719","0.046","","","0.1162","0.1421","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054619","7.3114","0.001","13.174","0.002","13.6623","0.0019","98.512","0.007","91.457","0.006","90.513","0.007","1300.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Mo N6 O7 S -","- C24 H26 Mo N6 O7 S -","- C48 H52 Mo2 N12 O14 S2 -","2","1","","Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando","Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands","New J. Chem.","2015","39","3","2130","","10.1039/C4NJ02208D","","","0.71073","MoKα","","0.1703","0.083","","","0.1915","0.2258","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054620","13.4761","0.0019","13.4761","0.0019","27.254","0.005","90","","90","","90","","4949.5","1.3","153","2","153","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C10 H13 N4 O3 Zn -","- C6 H4 N3 O2 Zn -","- C96 H64 N48 O32 Zn16 -","16","1","","Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min","Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis","New J. Chem.","2015","39","4","2669","","10.1039/C4NJ01985G","","","0.71073","MoKα","","0.0607","0.052","","","0.1573","0.1644","","","","","","1.089","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054621","9.4237","0.0006","11.6936","0.0007","9.8675","0.0007","90","","95.103","0.002","90","","1083.06","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H33 N3 O7 -","- C19 H33 N3 O7 -","- C38 H66 N6 O14 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0404","0.0319","","","0.0681","0.0718","","","","","","1.047","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054622","9.4408","0.0003","11.5247","0.0003","15.054","0.0004","90","","91.567","0.0015","90","","1637.3","0.08","301.4","","301.4","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H47 N5 O9 -","- C29 H47 N5 O9 -","- C58 H94 N10 O18 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","1.54178","CuKα","","0.0726","0.0475","","","0.1181","0.1331","","","","","","1.028","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054623","31.232","0.008","8.842","0.002","18.831","0.005","90","","95.848","0.007","90","","5173","2","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H59 N7 O10 -","- C39 H59 N7 O10 -","- C156 H236 N28 O40 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.1034","0.0767","","","0.2191","0.2378","","","","","","1.037","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054624","9.2829","0.0008","17.955","0.002","23.143","0.003","90","","90","","90","","3857.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O8 -","- C29 H45 N5 O8 -","- C116 H180 N20 O32 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0588","0.0494","","","0.1212","0.1258","","","","","","1.065","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054625","7.42","0.0009","7.42","0.0009","12.11","0.002","90","","90","","120","","577.41","0.14","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0483","0.0442","","","0.1156","0.1227","","","","","","0.94","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7054626","7.42","0.0003","7.42","0.0003","12.11","0.0007","90","","90","","120","","577.41","0.05","173","2","173","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0405","0.0365","","","0.0712","0.0732","","","","","","1.052","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7054627","9.8262","0.0003","9.8965","0.0003","9.9887","0.0003","104.009","0.003","99.865","0.002","110.767","0.003","845.09","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 N4 O2 Pd -","- C15 H18 Cl2 N4 O2 Pd -","- C30 H36 Cl4 N8 O4 Pd2 -","2","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.5418","CuKα","","0.0373","0.0367","","","0.096","0.0967","","","","","","1.068","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054628","9.606","0.002","15.616","0.004","10.6058","0.0011","90","","104.624","0.016","90","","1539.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O2 Pd -","- C15 H20 N4 O2 Pd -","- C60 H80 N16 O8 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","0.71073","MoKα","","0.054","0.0392","","","0.0917","0.0956","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054629","10.4774","0.0004","10.9664","0.0003","16.1533","0.0006","90","","99.73","0.003","90","","1829.31","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N4 O4 Pd -","- C17 H24 N4 O4 Pd -","- C68 H96 N16 O16 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.54184","CuKα","","0.0349","0.0305","","","0.0816","0.086","","","","","","1.063","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054630","9.864","0.005","10.537","0.005","17.033","0.005","90","0.005","106.046","0.005","90","0.005","1701.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O2 Pd -","- C17 H24 N4 O2 Pd -","- C68 H96 N16 O8 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.54184","CuKα","","0.067","0.0589","","","0.1847","0.2052","","","","","","1.053","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054631","16.43","0.0012","26.165","0.002","21.2458","0.0015","90","","105.579","0.001","90","","8797.8","1.1","188","2","188","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H66 N2 O4 Ti -","- C41 H66 N2 O4 Ti -","- C328 H528 N16 O32 Ti8 -","8","1","","Gao, Bo; Li, Xiang; Duan, Ranlong; Pang, Xuan","Titanium complexes with octahedral geometry chelated by salen ligands adopting β-cis configuration for the ring-opening polymerisation of lactide","New J. Chem.","2015","39","4","2404","","10.1039/C4NJ02266A","","","0.71073","MoKα","","0.0984","0.0684","","","0.1828","0.2011","","","","","","1.059","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054632","15.4724","0.0019","14.1459","0.0017","24.04","0.002","90","","90.188","0.002","90","","5261.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H92 Eu3 N11 O38 -","- C80 H92 Eu3 N11 O38 -","- C160 H184 Eu6 N22 O76 -","2","0.5","","Li, Ao; Li, Liang; Lin, Zhi; Song, Lin; Wang, Zi-Hao; Chen, Qiang; Yang, Tao; Zhou, Xin-Hui; Xiao, Hong-Ping; Yin, Xiu-Ju","Guest-induced reversible structural transitions and concomitant on/off luminescence switching of an Eu(iii) metal‒organic framework and its application in detecting picric acid","New J. Chem.","2015","39","3","2289","","10.1039/C4NJ01946F","","","0.71073","MoKα","","0.0584","0.0543","","","0.1365","0.1371","","","","","","1.001","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054633","9.2503","0.0005","10.679","0.0006","13.4211","0.0006","76.141","0.002","77.031","0.002","64.664","0.002","1152.1","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H18 N2 O7 -","- C24.5 H18 N2 O7 -","- C49 H36 N4 O14 -","2","1","","Vitório, Felipe; Pereira, Thiago Moreira; Castro, Rosane Nora; Guedes, Guilherme Pereira; Graebin, Cedric Stephan; Kümmerle, Arthur Eugen","Synthesis and mechanism of novel fluorescent coumarin-dihydropyrimidinone dyads obtained by Biginelli multicomponent reaction","New J. Chem.","2015","","","","","10.1039/C4NJ02155J","","","0.71073","MoKα","","0.0992","0.0622","","","0.1714","0.1986","","","","","","1.06","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7054634","5.8352","0.0012","7.3473","0.0015","5.2561","0.001","90","","90","","90","","225.34","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy0.5 Mn O3 Yb0.5 -","- Dy0.5 Mn O3 Yb0.5 -","- Dy2 Mn4 O12 Yb2 -","4","0.5","","Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang","Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies","New J. Chem.","2015","39","4","2596","","10.1039/C4NJ01876A","","","0.71073","MoKα","","0.0177","0.0171","","","0.0397","0.0402","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054635","8.2512","0.0003","30.1101","0.001","11.634","0.0005","90","","102.212","0.001","90","","2825","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F6 N5 O2 S -","- C28 H25 F6 N5 O2 S -","- C112 H100 F24 N20 O8 S4 -","4","1","","Guo, Jixi; Liu, Li; Jia, Dianzeng; Guo, Mingxi; Zhang, Yucai; Song, Xianli","Photochromism and fluorescence modulation of pyrazolone derivatives in the solid state","New J. Chem.","2015","39","4","3059","","10.1039/C4NJ01970A","","","0.71073","MoKα","","0.1099","0.0723","","","0.1355","0.1574","","","","","","1.081","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054636","9.2721","0.0007","10.3272","0.0006","10.7817","0.0007","81.614","0.005","81.335","0.006","89.456","0.005","1009.62","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl(2R,3aR,10bR)-1-benzyl-10-chloro-1,2,3,3a,4,10b-hexadydropyrrolo- [2'3':3,4]pyrrolo[1,2-a]indole-2-carboxylate","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C46 H46 Cl2 N4 O4 -","2","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M.","Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid","New J. Chem.","2015","39","4","2657","","10.1039/C4NJ02308K","","","0.71073","MoKα","","0.1201","0.0569","","","0.1227","0.1606","","","","","","0.996","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054637","13.9521","0.001","6.6102","0.0004","21.977","0.0013","90","","106.352","0.007","90","","1944.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5aS,12bS)-12-chloro-2,3-dimethoxy-4b,5,5a,12b,14, 15-hexahydro-6H-benzo[5',6']pyrrolizino[2',1':4,5]pyrrolo[2,1-a]isoquinoline","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M.","Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid","New J. Chem.","2015","39","4","2657","","10.1039/C4NJ02308K","","","0.71073","MoKα","","0.0672","0.0441","","","0.0975","0.1118","","","","","","1.019","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054638","6.7203","0.0002","8.2504","0.0003","12.3358","0.0004","84.469","0.001","79.593","0.002","85.31","0.002","668.13","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Co N4 O18 S2 -","- C14 H34 Co N4 O18 S2 -","- C14 H34 Co N4 O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0565","0.0421","","","0.1085","0.1183","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054639","6.8292","0.0001","8.1314","0.0002","12.3445","0.0003","85.429","0.001","81.437","0.001","85.436","0.001","674.11","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Cu N4 O18 S2 -","- C14 H34 Cu N4 O18 S2 -","- C14 H34 Cu N4 O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0537","0.0475","","","0.1225","0.1278","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054640","6.6706","0.0001","26.5804","0.0004","15.2009","0.0002","90","","92.254","0.001","90","","2693.14","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Fe N4 O17 S2 -","- C14 H32 Fe N4 O17 S2 -","- C56 H128 Fe4 N16 O68 S8 -","4","1","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0573","0.0432","","","0.1082","0.1184","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054641","6.6415","0.0003","8.2264","0.0004","12.2601","0.0006","84.337","0.002","79.491","0.002","85.886","0.002","654.4","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 N4 Ni O18 S2 -","- C14 H34 N4 Ni O18 S2 -","- C14 H34 N4 Ni O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0446","0.0359","","","0.0991","0.1138","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054642","11.6864","0.0003","17.6541","0.0004","14.7499","0.0004","90","","113.152","0.001","90","","2798.02","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Co2 I3 N4 O -","- C22 H33 Co2 I3 N4 O -","- C88 H132 Co8 I12 N16 O4 -","4","1","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.05","0.0456","","","0.0924","0.0939","","","","","","1.272","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054643","8.8736","0.0002","13.6929","0.0003","21.0647","0.0006","90","","90","","90","","2559.47","0.11","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl4 Co N4 -","- C22 H34 Cl4 Co N4 -","- C88 H136 Cl16 Co4 N16 -","4","1","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.085","0.0589","","","0.1233","0.1336","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054644","7.9236","0.0012","10.168","0.0017","10.2931","0.0018","62.925","0.003","67.443","0.003","69.428","0.004","665.97","0.19","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl4 N4 O2 -","- C22 H40 Cl4 N4 O2 -","- C22 H40 Cl4 N4 O2 -","1","0.5","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.0411","0.0357","","","0.0889","0.0918","","","","","","1.074","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054645","4.8468","0.0008","9.2594","0.0016","12.245","0.002","69.536","0.007","89.567","0.007","85.993","0.007","513.51","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-19 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)2-COOH","","- C22 H22 N6 O4 -","- C22 H22 N6 O4 -","- C22 H22 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0624","0.0507","","","0.1279","0.14","","","","","","1.084","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054646","5.5146","0.0011","6.81","0.0014","15.254","0.003","79.288","0.006","85.259","0.006","75.952","0.005","545.62","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-20 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)4-COOH","","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0563","0.0467","","","0.1267","0.1358","","","","","","1.099","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054647","5.6196","0.0011","6.7825","0.0013","16.078","0.003","87.236","0.004","82.669","0.004","75.451","0.004","588.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-21 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)6-COOH","","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0519","0.0458","","","0.1235","0.1329","","","","","","1.014","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054648","5.632","0.0007","6.845","0.0008","17.748","0.002","93.63","0.007","98.988","0.007","104.67","0.007","649.97","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-22 1,1'-di[(3-pyridyl)methyl]-2,2'-biimidazole, HOOCH-(CH2)8-COOH","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0658","0.055","","","0.182","0.1976","","","","","","1.544","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054649","5.6047","0.0008","6.8589","0.001","18.879","0.003","97.644","0.005","91.164","0.005","104.659","0.005","694.78","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-23 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)10-COOH","","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0546","0.0523","","","0.1665","0.1716","","","","","","1.472","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054650","14.797","0.003","4.5097","0.0007","29.886","0.005","90","","104.056","0.008","90","","1934.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TW-2B-24-C 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)-COOH","","- C21 H20 N6 O4 -","- C21 H20 N6 O4 -","- C84 H80 N24 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.1229","0.0652","","","0.1575","0.1937","","","","","","0.998","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054651","7.6142","0.0011","8.6608","0.0013","11.0348","0.0016","102.357","0.005","105.996","0.005","93.866","0.005","677.09","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-25-SE 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, (HOOC-(CH2)3-COOH)2","","- C28 H32 N6 O8 -","- C28 H32 N6 O8 -","- C28 H32 N6 O8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0471","0.0422","","","0.1184","0.1231","","","","","","0.973","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054652","5.0121","0.0005","7.8964","0.0008","15.1589","0.0016","78.403","0.004","88.333","0.004","72.636","0.003","560.62","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-2 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)4-COOH","","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0505","0.0434","","","0.1195","0.1317","","","","","","1.116","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054653","5.1024","0.001","8.0128","0.0015","16.497","0.003","99.94","0.009","93.967","0.01","108.231","0.008","625.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-3 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)6-COOH","","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0548","0.0496","","","0.1457","0.158","","","","","","1.176","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054654","5.2731","0.0008","7.8464","0.0011","17.163","0.003","81.964","0.006","88.938","0.006","72.499","0.006","670.39","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-4 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)8-COOH","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0351","0.0327","","","0.0832","0.085","","","","","","1.06","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054655","5.2955","0.0008","7.8185","0.0013","18.424","0.003","85.042","0.01","83.543","0.01","71.912","0.01","719.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-5 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)10-COOH","","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0528","0.0446","","","0.1244","0.1335","","","","","","1.1","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054656","4.9161","0.001","8.0077","0.0016","20.828","0.004","87.266","0.011","88.665","0.01","72.608","0.009","781.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-8-C 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, [HOOC-(CH2)5-COOH]2","","- C32 H40 N6 O8 -","- C32 H40 N6 O8 -","- C32 H40 N6 O8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.1768","0.0996","","","0.2355","0.2647","","","","","","1.286","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054657","11.4449","0.0017","8.9002","0.0015","21.338","0.003","90","","94.855","0.01","90","","2165.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","TW-2B-33 1,1'-di[(phenyl)methyl]-2,2'-biimidazole, HOOC-CH2-COOH","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C92 H88 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0666","0.0417","","","0.1279","0.1494","","","","","","1.102","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054658","7.8846","0.0003","27.1172","0.0012","20.7714","0.0009","90","","90","","90","","4441.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl F N4 O2 -","- C26 H20 Cl F N4 O2 -","- C208 H160 Cl8 F8 N32 O16 -","8","1","","Turkoglu, Gulsen; Berber, Halil; Kani, Ibrahim","Synthesis, crystal structure, optical and electrochemical properties of novel diphenylether-based formazan derivatives","New J. Chem.","2015","39","4","2728","","10.1039/C4NJ02353F","","","0.71073","MoKα","","0.1504","0.0522","","","0.1038","0.1506","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054659","9.7435","0.0008","6.5523","0.0004","11.959","0.0012","90","","105.802","0.01","90","","734.64","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Rodríguez, Isabel; Calaza, M. Isabel; Jiménez, Ana I.; Cativiela, Carlos","Synthesis of enantiomerically pure δ-benzylproline derivatives","New J. Chem.","2015","39","5","3310","","10.1039/C4NJ01894J","","","0.71073","MoKα","","0.0848","0.059","","","0.1278","0.1465","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054660","12.3453","0.0012","12.0038","0.0012","20.971","0.002","90","","90","","90","","3107.7","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 N O9 Zn -","- C11 H17 N O9 Zn -","- C88 H136 N8 O72 Zn8 -","8","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0518","0.0422","","","0.1108","0.1186","","","","","","1.056","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054661","7.0755","0.0002","11.1714","0.0003","12.1991","0.0004","73.152","0.001","82.48","0.0009","72.042","0.001","877","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 N O11 Zn -","- C11 H21 N O11 Zn -","- C22 H42 N2 O22 Zn2 -","2","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0537","0.0467","","","0.1198","0.1258","","","","","","1.091","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054662","5.2989","0.0005","15.3102","0.0012","19.3432","0.0017","90","","90","","90","","1569.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O7 Zn -","- C15 H13 N O7 Zn -","- C60 H52 N4 O28 Zn4 -","4","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0343","0.0337","","","0.0883","0.0893","","","","","","1.063","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054663","8.9796","0.0017","10.1531","0.0016","10.6054","0.0018","89.721","0.007","77.398","0.007","71.835","0.006","894.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O9 Zn -","- C15 H17 N O9 Zn -","- C30 H34 N2 O18 Zn2 -","2","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0619","0.0405","","","0.094","0.103","","","","","","1.056","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054664","13.5334","0.0006","12.3004","0.0008","28.098","0.002","90","","102.177","0.006","90","","4572.1","0.5","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C176 H160 Br16 N48 O16 -","16","4","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Mesías-Salazar, Angela; Zarate, Ximena; Schott, Eduardo","New 3,4,5-trisubstituted isoxazole derivatives with potential biological properties","New J. Chem.","2015","39","6","4295","","10.1039/C4NJ02427C","","","0.71073","MoKα","","0.1773","0.0789","","","0.1448","0.179","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054665","11.765","0.004","11.314","0.006","17.774","0.012","90","","95.75","0.04","90","","2354","2","294","2","294","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Mesías-Salazar, Angela; Zarate, Ximena; Schott, Eduardo","New 3,4,5-trisubstituted isoxazole derivatives with potential biological properties","New J. Chem.","2015","39","6","4295","","10.1039/C4NJ02427C","","x-ray","0.71073","MoKα","","0.1436","0.0576","","","0.1374","0.1615","","","","","","1.017","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054666","5.0508","0.0003","33.692","0.002","8.9618","0.0006","90","","100.081","0.006","90","","1501.5","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.1159","0.0629","","","0.1315","0.1606","","","","","","0.935","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054667","14.489","0.002","7.1442","0.001","21.09","0.003","90","","91.518","0.006","90","","2182.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Mo N2 O4 S2 -","- C20 H22 Mo N2 O4 S2 -","- C80 H88 Mo4 N8 O16 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0461","0.0324","","","0.0982","0.114","","","","","","0.831","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054668","9.7755","0.0008","10.9369","0.0009","12.4981","0.001","99.619","0.003","96.272","0.003","90.833","0.004","1308.81","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl3 Mo N4 O3 S2 -","- C21 H21 Cl3 Mo N4 O3 S2 -","- C42 H42 Cl6 Mo2 N8 O6 S4 -","2","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0522","0.0478","","","0.1629","0.1718","","","","","","1.022","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054669","14.272","0.004","11.291","0.003","14.874","0.004","90","","102.868","0.003","90","","2336.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mo N4 O3 S2 -","- C22 H22 Mo N4 O3 S2 -","- C88 H88 Mo4 N16 O12 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.1051","0.0503","","","0.0982","0.117","","","","","","0.986","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054670","7.505","0.003","13.022","0.005","14.463","0.005","106.162","0.004","101.97","0.004","105.956","0.004","1242.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.33 H24.96 Mo N3 O4 S2 -","- C23.32 H24.96 Mo N3 O3.99 S2 -","- C46.64 H49.92 Mo2 N6 O7.98 S4 -","2","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0691","0.0471","","","0.1426","0.1742","","","","","","0.849","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054671","11.2231","0.0005","14.2627","0.0007","14.4636","0.0007","103.729","0.004","97.022","0.004","106.223","0.004","2114.93","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Mo N3 O3 S2 -","- C21 H19 Mo N3 O3 S2 -","- C84 H76 Mo4 N12 O12 S8 -","4","2","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0459","0.0349","","","0.0785","0.0848","","","","","","1.004","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054672","14.8304","0.0011","19.0315","0.0014","12.5878","0.0009","90","","94.618","0.005","90","","3541.3","0.4","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","zwx","","","- C42 H80 N24 O28 -","- C42 H46 N24 O12 -","- C84 H92 N48 O24 -","2","0.25","","Zhao, Wenxuan; Wang, Chuanzeng; Zhang, Yunqian; Xue, Saifeng; Zhu, Qianjiang; Tao, Zhu","Supramolecular assembly of a methyl-substituted cucurbit[6]uril and its potential applications in selective sorption","New J. Chem.","2015","39","4","2433","","10.1039/C5NJ00255A","","","0.71073","MoKα","","0.1283","0.0837","","","0.2677","0.2994","","","","","","0.952","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054673","13.3215","0.001","12.3215","0.0009","16.7717","0.0012","90","","90","","90","","2752.9","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cu2 N10 O6 S2 -","- C24 H18 Cu2 N10 O6 S2 -","- C96 H72 Cu8 N40 O24 S8 -","4","0.5","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71069","MoKα","","0.0472","0.0366","","","0.0946","0.0989","","","","","","1.11","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054674","7.2488","0.0004","8.5638","0.0004","13.1244","0.0007","83.205","0.002","89.661","0.003","70.551","0.002","762.35","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N6 O6 S4 -","- C26 H18 Cu2 N6 O6 S4 -","- C26 H18 Cu2 N6 O6 S4 -","1","0.5","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71073","MoKα","","0.0563","0.0482","","","0.1219","0.1283","","","","","","1.085","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054675","8.5179","0.0006","15.1779","0.0007","12.2602","0.001","90","","92.219","0.003","90","","1583.86","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu N5 O4 S -","- C14 H11 Cu N5 O4 S -","- C56 H44 Cu4 N20 O16 S4 -","4","1","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71069","MoKα","","0.0575","0.0438","","","0.1066","0.1119","","","","","","1.102","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054676","17.8522","0.0018","10.6611","0.0014","19.9365","0.0012","90","","106.854","0.002","90","","3631.4","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Dy F12 N5 Ni O11 -","- C29 H28 Dy F12 N5 Ni O11 -","- C116 H112 Dy4 F48 N20 Ni4 O44 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0646","0.0602","","","0.15","0.1512","","","","","","1.076","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054677","18.351","0.003","10.8682","0.0015","19.911","0.003","90","","106.184","0.002","90","","3813.7","1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F12 Gd N5 Ni O11 -","- C29 H28 F12 Gd N5 Ni O11 -","- C116 H112 F48 Gd4 N20 Ni4 O44 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0671","0.0591","","","0.1517","0.1527","","","","","","1.062","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054678","17.8821","0.0014","10.8892","0.0011","20.0534","0.0018","90","","106.038","0.002","90","","3752.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F12 N5 Ni O11 Tb -","- C29 H28 F12 N5 Ni O11 Tb -","- C116 H112 F48 N20 Ni4 O44 Tb4 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0603","0.0543","","","0.133","0.1336","","","","","","1.086","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054679","23.852","0.003","13.2551","0.0017","41.053","0.006","90","","104.55","0.002","90","","12563","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H49 F9 N9 O8 Yb Zn -","- C61 H44 F9 N9 O8 Yb Zn -","- C488 H352 F72 N72 O64 Yb8 Zn8 -","8","1","","Yu, Chao; Zhang, Zhao; Liu, Lin; Li, Hongyan; He, Yani; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.","PMMA-supported hybrid materials doped with highly near-infrared (NIR) luminescent complexes [Zn(L1)(Py)Ln(L2)3] (Ln = Nd, Yb or Er)","New J. Chem.","2015","39","5","3698","","10.1039/C4NJ02373K","","","0.71073","MoKα","","0.0954","0.0613","","","0.1431","0.158","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054680","12.0156","0.0017","12.0304","0.0017","13.4566","0.0019","90","","102.37","0.003","90","","1900","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 I N2 Pt -","- C17 H27 I N2 Pt -","- C68 H108 I4 N8 Pt4 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0184","0.0146","","","0.0344","0.0359","","","","","","1.079","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054681","11.1252","0.0004","12.8648","0.0005","12.2536","0.0003","90","","98.742","0.002","90","","1733.4","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 I N2 Pt -","- C15 H23 I N2 Pt -","- C60 H92 I4 N8 Pt4 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.022","0.0189","","","0.0398","0.041","","","","","","1.079","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054682","9.7124","0.0005","10.2867","0.0005","10.3892","0.0005","70.911","0.003","66.286","0.003","73.069","0.003","882.64","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C30 H34 I2 N8 Pt2 -","2","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0235","0.0215","","","0.0508","0.0514","","","","","","1.049","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054683","8.88211","0.00018","12.088","0.0002","22.6364","0.0005","90","","99.0938","0.0019","90","","2399.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C72 H104 I8 N16 Pt8 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0339","0.0302","","","0.0649","0.0669","","","","","","1.042","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054684","8.0595","0.0002","11.2505","0.0003","13.6434","0.0004","90","","106.09","0.003","90","","1188.63","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C36 H52 I4 N8 Pt4 -","2","0.5","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0349","0.0331","","","0.0868","0.0887","","","","","","1.064","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054685","10.407","0.0009","11.7649","0.0006","20.7823","0.0017","90","","98.377","0.01","90","","2517.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 I2 N2 O2 Pt2 -","- C18 H32 I2 N2 O2 Pt2 -","- C72 H128 I8 N8 O8 Pt8 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0334","0.0232","","","0.0493","0.0512","","","","","","0.928","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054686","10.7003","0.001","12.7871","0.0009","18.4091","0.0017","90","","90","","90","","2518.8","0.4","193","2","193","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C20 H36 I2 N2 Pt2 -","- C20 H36 I2 N2 Pt2 -","- C80 H144 I8 N8 Pt8 -","4","0.5","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0384","0.0351","","","0.0925","0.0947","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054687","8.999","0.004","14.013","0.006","14.873","0.006","66.19","0.02","75.21","0.03","73.6","0.02","1624.6","1.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[alanyl-R-gamma-leucyl]2-methyl ester","","- C28 H52 N4 O7 -","- C28 H52 N4 O7 -","- C56 H104 N8 O14 -","2","2","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.3763","0.0801","","","0.1281","0.2271","","","","","","0.849","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054688","10.6075","0.0003","10.735","0.0003","19.1418","0.0006","90","","105.348","0.002","90","","2101.97","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[Leucyl-R-gamma-Leucyl]2-methyl ester","","- C34 H64 N4 O9 -","- C34 H64 N4 O9 -","- C68 H128 N8 O18 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.0893","0.06","","","0.1604","0.1812","","","","","","1.095","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054689","9.5742","0.0002","10.8563","0.0003","28.0245","0.0007","90","","93.811","0.002","90","","2906.44","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Leu-Val-DPro-Gly-Leu-Val-Val-OMe","t-Butyloxycarbonyl-Leucyl-Leucyl-Valyl-D-Prolyl-Glycyl-Leucyl-Valyl-Valyl-methyl ester","","- C49 H88 N8 O12 -","- C49 H88 N8 O12 -","- C98 H176 N16 O24 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0612","0.0577","","","0.17","0.1762","","","","","","1.128","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054690","5.0768","0.0011","8.924","0.002","25.12","0.006","98.67","0.013","94.399","0.014","99.374","0.014","1104","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Gamma-R-Leu]2-Delta-R-Leu-Gamma-R-Leu-OMe","t-Butyloxycarbonyl-[R-gamma-Leucyl]2-R-delta-Leucyl-R-gamma-Leucyl-methyl ester","","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","1","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.1583","0.0701","","","0.1818","0.2308","","","","","","0.994","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054691","5.0056","0.0014","15.829","0.004","20.317","0.005","90","","93.452","0.018","90","","1606.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]3-NHMe","t-Butyloxycarbonyl-[R-gamma-valyl]3-N-methyl amide","","- C27 H52 N4 O5 -","- C27 H52 N4 O5 -","- C54 H104 N8 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.3121","0.1433","","","0.3135","0.3742","","","","","","1.087","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054692","5.1643","0.0002","30.0027","0.0011","7.5724","0.0003","90","","94.261","0.002","90","","1170.05","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]2-OMe","t-Butyloxycarbonyl-[gamma-R-Valyl]2-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C40 H76 N4 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0765","0.0622","","","0.1756","0.2106","","","","","","1.074","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054693","5.1182","0.0003","50.153","0.003","7.4046","0.0004","90","","97.675","0.004","90","","1883.68","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]4-OMe","t-Butyloxycarbonyl-[R-gamma-Valyl]4-methyl ester","","- C34 H64 N4 O7 -","- C34 H64 N4 O7 -","- C68 H128 N8 O14 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.1048","0.0956","","","0.2571","0.274","","","","","","1.195","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054694","28.9383","0.0008","5.1419","0.0001","18.4128","0.0005","90","","120.323","0.001","90","","2364.96","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Gamma-S-Val-Gamma-R-Val-OMe","t-Butyloxycarbonyl-gamma-S-Valyl-gamma-R-Valyl-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C80 H152 N8 O20 -","4","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0522","0.0499","","","0.1485","0.1496","","","","","","1.143","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054695","9.901","0.002","10.527","0.003","10.553","0.002","100.403","0.012","106.665","0.013","93.047","0.014","1029.9","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-S-Gamma-Val]2-OMe","t-Butyloxycarbonyl-[alpha Amino isobutyryl-S-gamma-leucyl]2-methyl ester","","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","1","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.2325","0.0856","","","0.2109","0.2875","","","","","","0.905","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054696","18.57","0.0014","10.3191","0.0007","17.2851","0.0014","90","","133.39","0.005","90","","2407","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-(ethylenedioxy)bis-(ethylamine))Cadmium(II) tetracyano palladate (II)","","- C16 H32 Cd N8 O4 Pd -","- C16 H32 Cd N8 O4 Pd -","- C64 H128 Cd4 N32 O16 Pd4 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0437","0.0403","","","0.097","0.0993","","","","","","1.1","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7054697","11.463","0.001","8.9492","0.0008","14.7436","0.0013","90","","90","","90","","1512.5","0.2","293","2","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2'-(ethylenedioxy)bis-(ethylamine))zinc(II) tetracyanidonickelate(II)","","- C10 H16 N6 Ni O2 Zn -","- C10 H16 N6 Ni O2 Zn -","- C40 H64 N24 Ni4 O8 Zn4 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0439","0.0349","","","0.0823","0.0863","","","","","","1.069","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054698","10.8081","0.0005","10.4606","0.0004","14.2364","0.0005","90","","107.209","0.003","90","","1537.5","0.11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-(ethylenedioxy)bis-(ethylamine))cadmium(II) tetracyanonickelate(II)","","- C10 H16 Cd N6 Ni O2 -","- C10 H16 Cd N6 Ni O2 -","- C40 H64 Cd4 N24 Ni4 O8 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0185","0.018","","","0.0408","0.041","","","","","","1.231","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054699","9.6656","0.0004","14.9615","0.0004","17.9211","0.0005","90","0.005","90","0.005","90","0.005","2591.6","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cd N8 Ni O6 -","- C16 H36 Cd N8 Ni O6 -","- C64 H144 Cd4 N32 Ni4 O24 -","4","1","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","x-ray","0.71073","MoKα","","0.0342","0.0291","","","0.0616","0.0644","","","","","","1.07","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054700","8.5367","0.0006","8.8067","0.0006","10.1596","0.0007","106.505","0.006","92.538","0.006","97.889","0.006","722.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Be2 N4 O6 -","- C32 H32 Be2 N4 O6 -","- C32 H32 Be2 N4 O6 -","1","0.5","","Reglinski, John; Kennedy, Alan R.; Steel, Graham","Tetradentate Schiff base beryllium complexes","New J. Chem.","2015","39","4","2437","","10.1039/C4NJ01949K","","","0.71073","MoKα","","0.0485","0.0361","","","0.0869","0.0934","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054701","7.6771","0.001","17.9229","0.001","11.3182","0.0012","90","","98.385","0.014","90","","1540.7","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Be N2 O2 -","- C18 H18 Be N2 O2 -","- C72 H72 Be4 N8 O8 -","4","1","","Reglinski, John; Kennedy, Alan R.; Steel, Graham","Tetradentate Schiff base beryllium complexes","New J. Chem.","2015","39","4","2437","","10.1039/C4NJ01949K","","","0.71073","MoKα","","0.0603","0.0445","","","0.0847","0.0931","","","","","","1.039","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054702","7.4296","0.0005","19.375","0.002","22.676","0.0018","90","","90","","90","","3264.2","0.5","298","2","298","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","","Salahifar, Eslam; Nematollahi, Davood","Electrochemical generation of a Michael acceptor: a green method for the synthesis of 4-amino-3-(phenylsulfonyl)diphenylamine derivatives","New J. Chem.","2015","39","5","3852","","10.1039/C5NJ00087D","","","0.71073","MoKα","","0.2351","0.0882","","","0.1063","0.145","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054703","10.1735","0.0011","14.3043","0.001","11.2897","0.0009","90","","96.376","0.008","90","","1632.8","0.2","292.34","0.1","292.34","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Quinolinone","3,7,7-trimethyl-4-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang","Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives","New J. Chem.","2015","39","5","3908","","10.1039/C4NJ02372B","","","0.71073","MoKα","","0.1132","0.0588","","","0.1376","0.1646","","","","","","0.964","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054704","6.0023","0.0011","12.317","0.002","12.46","0.002","67.981","0.017","77.245","0.015","80.977","0.015","830.1","0.3","291.9","0.9","291.9","0.9","","","","","","","","5","P -1","-P 1","2","Quinazolinone","9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C34 H34 Cl2 N8 O2 -","2","1","","Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang","Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives","New J. Chem.","2015","39","5","3908","","10.1039/C4NJ02372B","","","0.7107","MoKα","","0.084997","0.053494","","","","0.140108","","","","","","1.03577","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054705","18.628","0.003","7.56","0.0012","14.269","0.002","90","","119.874","0.002","90","","1742.5","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Cd N5 O3 -","- C5 H9 Cd N5 O3 -","- C40 H72 Cd8 N40 O24 -","8","1","","Salinas-Castillo, Alfonso; Calahorro, Antonio Jesús; Briones Gil, David; Fairen-Jimenez, David; gandara, felipe; Mendicute-Fierro, Claudio; Seco, José M; Perez-Mendoza, Manuel; Fernández, Belén; Rodriguez-Dieguez, Antonio","Adsorption and Luminescence Properties of First 2D-Cadmium MOF and Gismondine-Like Zinc Coordination Network Based on N-(2-tetrazolethyl)-4'-Glycine Linker","New J. Chem.","2015","","","","","10.1039/C5NJ00011D","","","0.71073","MoKα","","0.0216","0.0204","","","0.0487","0.0496","","","","","","1.075","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054706","21.71","0.003","21.71","0.003","6.8793","0.0011","90","","90","","90","","3242.4","0.8","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C5 H7 N5 O2 Zn -","- C5 H7 N5 O2 Zn -","- C80 H112 N80 O32 Zn16 -","16","1","","Salinas-Castillo, Alfonso; Calahorro, Antonio Jesús; Briones Gil, David; Fairen-Jimenez, David; gandara, felipe; Mendicute-Fierro, Claudio; Seco, José M; Perez-Mendoza, Manuel; Fernández, Belén; Rodriguez-Dieguez, Antonio","Adsorption and Luminescence Properties of First 2D-Cadmium MOF and Gismondine-Like Zinc Coordination Network Based on N-(2-tetrazolethyl)-4'-Glycine Linker","New J. Chem.","2015","","","","","10.1039/C5NJ00011D","","","0.71073","MoKα","","0.048","0.0381","","","0.0946","0.1001","","","","","","1.069","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054707","12.3263","0.0001","20.7018","0.0002","18.2517","0.0002","90","","91.642","0.001","90","","4655.49","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H90 N16 O19 Pb2 Tb -","- C102 H90 N16 O19 Pb2 Tb -","- C204 H180 N32 O38 Pb4 Tb2 -","2","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54178","CuKα","","0.0433","0.04","","","0.1097","0.1139","","","","","","1.058","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054708","12.31597","0.00016","20.8623","0.0002","18.2267","0.0002","90","","91.689","0.0011","90","","4681.12","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H90 Eu N16 O19 Pb2 -","- C102 H90 Eu N16 O19 Pb2 -","- C204 H180 Eu2 N32 O38 Pb4 -","2","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54184","CUKα","","0.0412","0.0361","","","0.109","0.1162","","","","","","0.883","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054709","11.7061","0.0005","13.0527","0.0004","17.955","0.0008","87.73","0.003","88.01","0.004","89.886","0.003","2739.65","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H100 N20 O28 Pb Tb2 -","- C108 H100 N20 O28 Pb Tb2 -","- C108 H100 N20 O28 Pb Tb2 -","1","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54178","CuKα","","0.0451","0.041","","","0.1074","0.1119","","","","","","1.079","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054710","11.0785","0.0012","11.9068","0.0013","16.6733","0.0018","76.422","0.002","75.205","0.002","79.014","0.002","2047","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Cl2 N8 O10 Ru S -","- C36 H42 Cl2.001 N8 O10 Ru S -","- C72 H84 Cl4.002 N16 O20 Ru2 S2 -","2","1","","Bhat, Satish S.; Revankar, Vidyanand K.; Khan, Ayesha; Butcher, Raymond J.; Thatipamula, Krishnachary","Supramolecular architecture and photophysical and biological properties of ruthenium(ii) polypyridyl complexes","New J. Chem.","2015","39","5","3646","","10.1039/C4NJ02394C","","","0.71073","MoKα","","0.0951","0.0786","","","0.1781","0.1863","","","","","","1.112","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054711","10.6473","0.0019","19.752","0.004","13.407","0.0016","90","","113.396","0.01","90","","2587.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cu Mo4 N6 O14 -","- C18 H15 Cu Mo4 N6 O14 -","- C72 H60 Cu4 Mo16 N24 O56 -","4","1","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71073","MoKα","","0.1045","0.0553","","","0.0995","0.1145","","","","","","1.03","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054712","11.158","0.005","12.946","0.005","13.292","0.005","97.478","0.005","112.381","0.005","104.018","0.005","1668.8","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Cu Mo12 N12 O44 P -","- C36 H36 Cu Mo12 N12 O44 P -","- C36 H36 Cu Mo12 N12 O44 P -","1","0.5","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71069","MoKα","","0.0994","0.0716","","","0.1931","0.2236","","","","","","1.024","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054713","10.9784","0.0009","14.048","0.0011","14.5469","0.0012","110.234","0.002","107.408","0.001","102.658","0.001","1873.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu4 Mo12 N16 O42 Si -","- C48 H40 Cu4 Mo12 N16 O42 Si -","- C48 H40 Cu4 Mo12 N16 O42 Si -","1","0.5","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71073","MoKα","","0.0902","0.0534","","","0.0944","0.1073","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054714","5.0156","0.0005","6.9262","0.0009","7.0836","0.0008","112.956","0.012","97.227","0.01","107.388","0.011","207.85","0.05","118","2","118","2","","","","","","","","3","P -1","-P 1","2","0D-118","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0784","0.0538","","","0.1368","0.163","","","","","","1.052","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054715","5.0359","0.0009","6.9758","0.0013","7.1152","0.0013","112.963","0.018","97.033","0.016","107.706","0.017","210.8","0.08","154","2","154","2","","","","","","","","3","P -1","-P 1","2","0D-154","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0876","0.0575","","","0.1436","0.1719","","","","","","1.017","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054716","5.058","0.0009","7.0169","0.0017","7.1325","0.0015","112.92","0.02","96.962","0.017","108.002","0.019","213.14","0.1","190","2","190","2","","","","","","","","3","P -1","-P 1","2","0D-190","","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.1055","0.064","","","0.1663","0.2136","","","","","","1.065","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054717","5.0673","0.0008","7.0638","0.0013","7.163","0.0009","113.064","0.016","96.689","0.012","108.347","0.015","215.3","0.07","226","2","226","2","","","","","","","","3","P -1","-P 1","2","0D-226","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0997","0.0605","","","0.1695","0.2071","","","","","","1.081","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054718","3.9158","0.0011","7.1104","0.001","7.871","0.003","90","","100.59","0.03","90","","215.42","0.11","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","0D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.1392","0.0633","","","0.1602","0.1981","","","","","","1.099","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054719","3.8248","0.0008","7.0987","0.0007","7.7801","0.0009","90","","101.058","0.015","90","","207.32","0.05","118","2","118","2","","","","","","","","3","P 1 21 1","P 2yb","4","","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0449","0.04","","","0.0929","0.0973","","","","","","1.09","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054720","3.8518","0.0005","7.0956","0.0005","7.7924","0.0009","90","","100.862","0.012","90","","209.16","0.04","154","2","154","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-154","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0526","0.0426","","","0.0944","0.1019","","","","","","1.086","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054721","3.8856","0.0013","7.1138","0.0012","7.8353","0.0016","90","","100.93","0.03","90","","212.65","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-190","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0558","0.0436","","","0.1003","0.1079","","","","","","1.04","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054722","3.8912","0.001","7.1141","0.0012","7.8453","0.0016","90","","100.8","0.02","90","","213.33","0.08","226","2","226","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-226","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0615","0.0464","","","0.1004","0.1123","","","","","","1.044","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054723","3.9127","0.0007","7.1074","0.0008","7.8489","0.0011","90","","100.422","0.016","90","","214.67","0.06","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0679","0.046","","","0.1033","0.1229","","","","","","1.075","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054724","3.9417","0.0012","7.1096","0.0018","7.878","0.003","90","","100.25","0.03","90","","217.25","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-298","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0992","0.0513","","","0.0987","0.1218","","","","","","1.012","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054725","8.9476","0.0008","10.2758","0.0009","12.1482","0.0011","98.043","0.004","95.114","0.004","110.648","0.004","1023.3","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","phthalonitrile","","","- C20 H28 N2 O S2 -","- C20 H28 N2 O S2 -","- C40 H56 N4 O2 S4 -","2","1","","Tarakci, Deniz Kutlu; Berber, Savaş; Zorlu, Yunus; Atilla, Devrim; Ahsen, Vefa; Dumoulin, Fabienne","The synthesis of an octasubstituted monohydroxylated phthalocyanine designed to investigate the effect of the presence of active moieties","New J. Chem.","2015","39","5","3929","","10.1039/C5NJ00229J","","","0.71073","MoKα","","0.0557","0.0512","","","0.1429","0.1467","","","","","","1.059","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054726","8.8012","0.0005","13.0262","0.0008","25.0491","0.0015","90","","90","","90","","2871.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N4 O6 P -","- C10 H15 N4 O6 P -","- C80 H120 N32 O48 P8 -","8","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0434","0.034","","","0.0871","0.0925","","","","","","1.062","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054727","5.757","0.0002","8.9928","0.0003","14.7059","0.0006","78.99","0.001","86.504","0.001","87.806","0.001","745.67","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N2 O5 P -","- C14 H15 N2 O5 P -","- C28 H30 N4 O10 P2 -","2","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0339","0.032","","","0.089","0.091","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054728","12.2908","0.0007","7.0588","0.0004","17.6586","0.001","90","","109.425","0.001","90","","1444.82","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N4 O5 P -","- C10 H15 N4 O5 P -","- C40 H60 N16 O20 P4 -","4","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0394","0.0361","","","0.0826","0.0849","","","","","","1.001","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054729","11.2664","0.0018","13.069","0.002","13.687","0.002","90","","90.327","0.001","90","","2015.2","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N4 O4 -","- C20 H19 Cl N4 O4 -","- C80 H76 Cl4 N16 O16 -","4","1","","Senwar, Kishna Ram; Sharma, Pankaj; Nekkanti, Shalini; Manda, Sathish; Kamal, Ahmed; Balasubramanian, Sridhar; Nagula, Shankaraiah","One-pot ‘click’ reaction from spiro-epoxides catalyzed by Cu(I)-pyrrolidinyl-oxazole-carboxamide","New J. Chem.","2015","","","","","10.1039/C4NJ02131B","","","0.71073","MoKα","","0.0616","0.0512","","","0.1374","0.1475","","","","","","1.025","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054730","14.632","0.005","15.057","0.005","15.61","0.005","85.153","0.005","63.131","0.005","86.091","0.005","3055.1","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H64 Cl6 N4 O4 Sn -","- C68 H64 Cl6 N4 O4 Sn -","- C136 H128 Cl12 N8 O8 Sn2 -","2","1","","Dey, Soumyajit; Mondal, Pritam; Rath, Sankar Prasad","Aggregation-Controlled Excimer Emission in an Axial Anthracene-Sn(IV)Porphyrin-Anthracene Triad in Solid and Solution Phases","New J. Chem.","2015","","","","","10.1039/C4NJ02405B","","","0.71069","MoKα","","0.0612","0.0455","","","0.0962","0.109","","","","","","1.031","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054731","12.2454","0.0014","14.3018","0.0016","14.9082","0.0017","71.876","0.002","69.05","0.003","71.933","0.003","2258.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 Cl Ni O3 P2 -","- C18 H31 Cl Ni O3 P2 -","- C72 H124 Cl4 Ni4 O12 P8 -","4","2","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.0684","0.0458","","","0.1007","0.1118","","","","","","1.026","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054732","10.159","0.0011","20.23","0.002","13.9587","0.0015","90","","102.917","0.002","90","","2796.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H40 Cl2 Ni O3 P2 -","- C22.5 H40 Cl2 Ni O3 P2 -","- C90 H160 Cl8 Ni4 O12 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.07","0.0506","","","0.1141","0.1233","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054733","15.125","0.002","10.058","0.001","17.403","0.002","90","","90.493","0.002","90","","2647.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl Ni O3 P2 -","- C30 H23 Cl Ni O3 P2 -","- C120 H92 Cl4 Ni4 O12 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.063","0.0413","","","0.0808","0.0861","","","","","","0.886","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054734","8.0299","0.0015","27.236","0.005","15.128","0.003","90","","101.306","0.004","90","","3244.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cl Ni O4 P2 -","- C29 H43 Cl Ni O4 P2 -","- C116 H172 Cl4 Ni4 O16 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.1174","0.0525","","","0.0691","0.0817","","","","","","0.826","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054735","12.2454","0.0014","14.3018","0.0016","14.9082","0.0017","71.876","0.002","69.05","0.003","71.933","0.003","2258.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 Cl Ni O3 P2 -","- C18 H31 Cl Ni O3 P2 -","- C72 H124 Cl4 Ni4 O12 P8 -","4","2","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0684","0.0458","","","0.1007","0.1118","","","","","","1.026","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054736","10.159","0.0011","20.23","0.002","13.9587","0.0015","90","","102.917","0.002","90","","2796.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H40 Cl2 Ni O3 P2 -","- C22.5 H40 Cl2 Ni O3 P2 -","- C90 H160 Cl8 Ni4 O12 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.07","0.0506","","","0.1141","0.1233","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054737","15.125","0.002","10.058","0.001","17.403","0.002","90","","90.493","0.002","90","","2647.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl Ni O3 P2 -","- C30 H23 Cl Ni O3 P2 -","- C120 H92 Cl4 Ni4 O12 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.063","0.0413","","","0.0808","0.0861","","","","","","0.886","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054738","8.0299","0.0015","27.236","0.005","15.128","0.003","90","","101.306","0.004","90","","3244.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cl Ni O4 P2 -","- C29 H43 Cl Ni O4 P2 -","- C116 H172 Cl4 Ni4 O16 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.1174","0.0525","","","0.0691","0.0817","","","","","","0.826","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054739","6.7436","0.0003","8.14","0.0003","13.7971","0.0005","103.904","0.004","97.539","0.003","95.474","0.004","722.45","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O8 V -","- C12 H13 N2 O8 V -","- C24 H26 N4 O16 V2 -","2","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0402","0.0395","","","0.1105","0.1114","","","","","","1.044","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054740","7.9144","0.0003","12.5749","0.0007","13.4045","0.0006","88.379","0.003","89.985","0.002","74.931","0.003","1287.63","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 N2 O6 V -","- C12 H9 N2 O6 V -","- C48 H36 N8 O24 V4 -","4","2","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.1365","0.0532","","","0.1162","0.1504","","","","","","0.964","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054741","7.8481","0.0002","6.421","0.0001","13.8887","0.0003","90","","95.055","0.002","90","","697.17","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 N2 O8 V -","- C12 H11 N2 O8 V -","- C24 H22 N4 O16 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0335","0.0333","","","0.0913","0.0916","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054742","8.1855","0.0002","6.5443","0.0002","13.8669","0.0003","90","","97.755","0.002","90","","736.03","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 N3 O7 V -","- C12 H12 N3 O7 V -","- C24 H24 N6 O14 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0367","0.0362","","","0.1009","0.1018","","","","","","1.058","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054743","14.4966","0.0003","7.3713","0.0002","14.6252","0.0003","90","","118.696","0.001","90","","1370.88","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N3 O6 V -","- C12 H10 N3 O6 V -","- C48 H40 N12 O24 V4 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0412","0.032","","","0.0866","0.0933","","","","","","1.063","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054744","8.1715","0.0001","29.4539","0.0005","6.6398","0.0001","90","","90","","90","","1598.08","0.04","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H16 N3 O7 V -","- C14 H16 N3 O7 V -","- C56 H64 N12 O28 V4 -","4","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0429","0.0323","","","0.0825","0.0879","","","","","","1.054","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054745","9.3492","0.0009","12.426","0.0005","6.436","0.0007","90","","129.421","0.017","90","","577.59","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H8 N3 O6 V -","- C10 H8 N3 O6 V -","- C20 H16 N6 O12 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0232","0.0226","","","0.0535","0.0548","","","","","","1.102","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054746","10.7251","0.0002","11.4534","0.0002","16.074","0.0003","95.3842","0.0007","108.666","0.0007","97.8766","0.0008","1832.96","0.06","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H46 Co2 K2 N8 O12 S3 -","- C20 H46 Co2 K2 N8 O12 S3 -","- C40 H92 Co4 K4 N16 O24 S6 -","2","1","","Strianese, Maria; Mirra, Silvia; Bertolasi, Valerio; Milione, Stefano; Pellecchia, Claudio","Organometallic sulfur complexes: reactivity studies of hydrogen sulfide anion with cobaloximes","New J. Chem.","2015","","","","","10.1039/C5NJ00206K","","","0.71073","MoKα","","0.049","0.0355","","","0.092","0.0971","","","","","","1.047","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054747","13.3088","0.0002","6.012","0.0001","19.833","0.0002","90","","108.647","0.0014","90","","1503.59","0.04","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-phenylpiperazin-1-yl)methyl)phenylboronic acid","","- C17 H21 B N2 O2 -","- C17 H21 B N2 O2 -","- C68 H84 B4 N8 O8 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","0.7107","MoKα","","0.0365","0.0345","","","0.0919","0.0931","","","","","","1.043","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054748","12.1978","0.0003","19.2053","0.0005","15.5424","0.0004","90","","96","0.003","90","","3621.05","0.16","100","2","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C18 H23 B N2 O3 -","- C18 H23 B N2 O3 -","- C144 H184 B8 N16 O24 -","8","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0458","0.0392","","","0.102","0.1059","","","","","","1.058","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054749","7.9155","0.0004","10.313","0.0004","11.8333","0.0007","88.456","0.004","72.897","0.005","69.37","0.004","860.88","0.08","120","2","120","","","","","","","","","6","P -1","-P 1","2","","2-((4-(2,3-dichlorophenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C17 H19 B Cl2 N2 O2 -","- C17 H19 B Cl2 N2 O2 -","- C34 H38 B2 Cl4 N4 O4 -","2","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.54184","CuKα","","0.0502","0.0488","","","0.1264","0.129","","","","","","1.034","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054750","10.32568","0.00006","9.10656","0.0001","18.03844","0.00012","90","","90.7068","0.0006","90","","1696.05","0.02","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-((4-(4-nitrophenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C17 H20 B N3 O4 -","- C17 H20 B N3 O4 -","- C68 H80 B4 N12 O16 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0372","0.0364","","","0.0976","0.0984","","","","","","1.062","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054751","12.87751","0.00017","10.18562","0.00012","10.36536","0.00014","90","","90","","90","","1359.58","0.03","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-((4-methylpiperazin-1-yl)methyl)phenylboronic acid","","- C12 H21 B N2 O3 -","- C12 H21 B N2 O3 -","- C48 H84 B4 N8 O12 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0381","0.0373","","","0.1052","0.1064","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054752","24.60371","0.00016","11.76829","0.00007","17.52165","0.00011","90","","93.8287","0.0006","90","","5061.96","0.05","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-benzhydrylpiperazin-1-yl)methyl)phenylboronic acid","","- C27 H33 B N2 O3 -","- C27 H33 B N2 O3 -","- C216 H264 B8 N16 O24 -","8","2","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0386","0.0358","","","0.0888","0.0911","","","","","","1.027","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054753","10.1897","0.0005","10.3703","0.0005","10.5504","0.0005","90","","107.526","0.003","90","","1063.11","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 O16 P4 Y2 -","- Cs6 O16 P4 Y2 -","- Cs12 O32 P8 Y4 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0327","0.0277","","","0.045","0.0468","","","","","","0.966","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054754","10.2819","0.0004","10.4257","0.0004","10.5785","0.0004","90","","107.649","0.002","90","","1080.6","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 Gd2 O16 P4 -","- Cs6 Gd2 O16 P4 -","- Cs12 Gd4 O32 P8 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0264","0.0245","","","0.0531","0.0542","","","","","","1.067","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054755","9.0342","0.0018","8.2698","0.0017","11.623","0.002","90","","100.9","0.03","90","","852.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O10 Zn2 -","- C16 H14 N2 O10 Zn2 -","- C32 H28 N4 O20 Zn4 -","2","0.5","","Wang, Fengqin; Dong, Caifu; Wang, Chengmiao; Yu, Zongchao; Guo, Shukun; Wang, Zechuan; Zhao, Yongnan; Li, Guodong","Fluorescence detection of aromatic amines and photocatalytic degradation of rhodamine B under UV light irradiation by luminescent metal‒organic frameworks","New J. Chem.","2015","39","6","4437","","10.1039/C4NJ02356K","","","0.71073","MoKα","","0.0321","0.027","","","0.073","0.0747","","","","","","1.085","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054756","7.7683","0.0016","8.6089","0.0017","8.6695","0.0017","84.04","0.03","76.23","0.03","66.04","0.03","514.6","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Cd N O7 -","- C8 H11 Cd N O7 -","- C16 H22 Cd2 N2 O14 -","2","1","","Wang, Fengqin; Dong, Caifu; Wang, Chengmiao; Yu, Zongchao; Guo, Shukun; Wang, Zechuan; Zhao, Yongnan; Li, Guodong","Fluorescence detection of aromatic amines and photocatalytic degradation of rhodamine B under UV light irradiation by luminescent metal‒organic frameworks","New J. Chem.","2015","39","6","4437","","10.1039/C4NJ02356K","","","0.71073","MoKα","","0.0244","0.0228","","","0.0598","0.0601","","","","","","1.069","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054757","7.4698","0.0015","9.5364","0.0019","18.73","0.004","90","","90.05","0.03","90","","1334.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Cl4 N3 O2 -","- C11 H5 Cl4 N3 O2 -","- C44 H20 Cl16 N12 O8 -","4","1","","Poorfreidoni, Alireza; Ranjbar-Karimi, Reza; Kia, Reza","Regiochemistry of nucleophilic substitution of pentachloropyridine with N and O bidentate nucleophiles","New J. Chem.","2015","39","6","4398","","10.1039/C5NJ00418G","","","0.71073","MoKα","","0.0361","0.0278","","","0.0663","0.0676","","","","","","0.855","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054758","22.662","0.005","11.13","0.003","18.004","0.004","90","","134.54","0.02","90","","3236.7","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 B2 F8 Fe N6 S6 -","- C18 H30 B2 F7.92 Fe N6 S6 -","- C72 H120 B8 F31.68 Fe4 N24 S24 -","4","0.5","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.17","0.0482","","","0.0592","0.0711","","","","","","0.974","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054759","9.978","0.001","12.495","0.001","17.672","0.002","90","","97.174","0.005","90","","2186","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 B Cl2 F4 Fe N4 O2 S2 -","- C12 H20 B Cl2 F4 Fe N4 O2 S2 -","- C48 H80 B4 Cl8 F16 Fe4 N16 O8 S8 -","4","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.0473","0.0331","","","0.086","0.0899","","","","","","1.004","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054760","9.59","0.01","31.06","0.02","12.91","0.02","90","","97.82","0.03","90","","3810","8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H30 Fe N6 O P S5 -","- C34 H30 Fe N6 O P S5 -","- C136 H120 Fe4 N24 O4 P4 S20 -","4","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.1011","0.0563","","","0.1305","0.147","","","","","","1.007","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054761","8.487","0.004","13.97","0.006","16.988","0.009","73.85","0.01","77.69","0.02","76.69","0.02","1858.6","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Fe I5.6 N6 S6 -","- C18 H30 Fe I5.6 N6 S6 -","- C36 H60 Fe2 I11.2 N12 S12 -","2","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.1622","0.0796","","","0.178","0.2016","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054762","14.543","0.001","42.417","0.003","14.52","0.001","90","","115.476","0.001","90","","8086","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Co2 I14 N12 S12 -","- C36 H60 Co2 I14.03 N12 S12 -","- C144 H240 Co8 I56.12 N48 S48 -","4","0.5","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.082","0.0596","","","0.178","0.1999","","","","","","1.043","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054763","13.9246","0.0019","22.628","0.003","25.869","0.004","90","","90","","90","","8151","2","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H67 N3 P Sc -","- C40 H67 N3 P Sc -","- C320 H536 N24 P8 Sc8 -","8","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1215","0.0569","","","0.1285","0.1567","","","","","","1.02","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054764","10.7097","0.0015","13.537","0.002","20.887","0.003","90","","93.806","0.003","90","","3021.5","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 N3 P Sc -","- C30 H47 N3 P Sc -","- C120 H188 N12 P4 Sc4 -","4","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1183","0.0728","","","0.1917","0.2312","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054765","9.591","0.0008","23.0001","0.0019","17.0175","0.0015","90","","97.618","0.002","90","","3720.8","0.5","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Lu N3 O P -","- C40 H51 Lu N3 O P -","- C160 H204 Lu4 N12 O4 P4 -","4","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.0674","0.0371","","","0.0693","0.0786","","","","","","0.984","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054766","27.73","0.004","9.8425","0.0015","27.805","0.004","90","","92.963","0.003","90","","7578.7","1.9","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Cl N3 O P Sc -","- C40 H52 Cl N3 O P Sc -","- C320 H416 Cl8 N24 O8 P8 Sc8 -","8","2","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1325","0.0769","","","0.214","0.2659","","","","","","0.947","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054767","10.5072","0.0008","21.5995","0.0009","11.2524","0.0005","90","","90.578","0.004","90","","2553.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","51352","","- C26 H18 Br2 Cl N5 O -","- C26 H18 Br2 Cl N5 O -","- C104 H72 Br8 Cl4 N20 O4 -","4","1","","Manivannan, Ramalingam; Satheshkumar, Angupillai; El-Mossalamy, El-Sayed H.; Al-Harbi, Laila M.; Kosa, Samia A.; Elango, Kuppanagounder P.","Design, synthesis and characterization of indole based anion sensing receptors","New J. Chem.","2015","39","5","3936","","10.1039/C4NJ01728E","","","0.71073","MoKα","","0.1388","0.0567","","","0.1304","0.1855","","","","","","1.043","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054768","10.7139","0.0018","11.257","0.0015","13.736","0.002","90","","108.196","0.005","90","","1573.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","M-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)","","- C31 H23 F12 O4 P Pd -","- C31 H23 F12 O4 P Pd -","- C62 H46 F24 O8 P2 Pd2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","A missing link between chiral four- and five-coordinate complexes","New J. Chem.","2015","39","5","3353","","10.1039/C5NJ00265F","","x-ray","0.71073","MoKα","","0.0195","0.0186","","","0.0464","0.0469","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054769","11.351","0.0014","14.4276","0.0017","19.814","0.002","90","","95.639","0.005","90","","3229.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","rac-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)","","- C31 H23 F12 O4 P Pd -","- C31 H23 F12 O4 P Pd -","- C124 H92 F48 O16 P4 Pd4 -","4","1","","Lennartson, Anders; Håkansson, Mikael","A missing link between chiral four- and five-coordinate complexes","New J. Chem.","2015","39","5","3353","","10.1039/C5NJ00265F","","x-ray","0.71073","MoKα","","0.0237","0.0208","","","0.053","0.0539","","","","","","1.036","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054770","7.074","0.002","9.8727","0.0004","17.1493","0.0008","81.198","0.002","89.999","0.008","69.007","0.018","1103.1","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C58 H42 N6 O4 -","2","2","","Maria Xavier, A. John; Samy, N. Arockia; Paul, M. Wilson Bosco; Brainard, B.; Letticia, M.; Alexander, V.","A new heterometallic terbium(iii)‒ruthenium(ii) complex and its terbium(iii)‒zinc(ii) analog: syntheses, characterization, luminescence, and electrochemical properties","New J. Chem.","2015","39","6","4284","","10.1039/C5NJ00082C","","","0.71073","MoKα","","0.0566","0.0404","","","0.0971","0.1201","","","","","","1.092","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054771","13.3096","0.0007","14.3661","0.0007","20.6457","0.0008","90","","126.685","0.002","90","","3165.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 1","","- C55 H68 N16 O15 Zn2 -","- C55 H68 N16 O15 Zn2 -","- C110 H136 N32 O30 Zn4 -","2","0.5","","Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian","Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity","New J. Chem.","2015","","","","","10.1039/C5NJ00173K","","","0.71073","MoKα","","0.084","0.0545","","","0.1689","0.1937","","","","","","1.025","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054772","14.3744","0.0017","14.6435","0.0018","15.5621","0.0018","90","","95.256","0.002","90","","3261.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","complex 2","","- C27 H32 Co N8 O7 -","- C27 H32 Co N8 O7 -","- C108 H128 Co4 N32 O28 -","4","1","","Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian","Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity","New J. Chem.","2015","","","","","10.1039/C5NJ00173K","","","0.71073","MoKα","","0.2398","0.0994","","","0.1814","0.2198","","","","","","1.04","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054773","9.491","0.002","13.025","0.003","16.033","0.003","106.161","0.004","91.155","0.004","109.772","0.003","1777.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N10 O8 Zn -","- C32 H36 N10 O8 Zn -","- C64 H72 N20 O16 Zn2 -","2","1","","Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian","Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity","New J. Chem.","2015","","","","","10.1039/C5NJ00173K","","","0.71073","MoKα","","0.1205","0.0632","","","0.13","0.157","","","","","","1.027","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054774","10.075","0.0007","11.0795","0.0006","14.6868","0.0009","68.567","0.005","89.823","0.005","73.381","0.005","1452.82","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Cu4 N20 O28 -","- C42 H58 Cu4 N20 O28 -","- C42 H58 Cu4 N20 O28 -","1","0.5","","Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian","Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity","New J. Chem.","2015","","","","","10.1039/C5NJ00173K","","","0.71073","MoKα","","0.0726","0.0444","","","0.0987","0.1144","","","","","","1.022","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054775","10.7306","0.0005","16.1771","0.0007","15.2453","0.0007","90","","95.132","0.004","90","","2635.8","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 N O Sc Si2 -","- C23 H44 N O Sc Si2 -","- C92 H176 N4 O4 Sc4 Si8 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0605","0.0447","","","0.1096","0.1164","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054776","10.1323","0.0004","11.1789","0.0004","30.7457","0.0011","90","","96.195","0.004","90","","3462.2","0.2","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N O Si3 Y -","- C31 H52 N O Si3 Y -","- C124 H208 N4 O4 Si12 Y4 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0673","0.0418","","","0.0847","0.0912","","","","","","1.024","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054777","10.0861","0.0005","11.1647","0.0006","30.639","0.002","90","","96.377","0.005","90","","3428.9","0.3","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Lu N O Si3 -","- C31 H52 Lu N O Si3 -","- C124 H208 Lu4 N4 O4 Si12 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0874","0.0741","","","0.2001","0.2048","","","","","","1.133","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054778","8.7284","0.0015","17.138","0.003","20.293","0.004","90","","90.986","0.004","90","","3035.1","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","L1","","- C35 H37 N3 O2 S -","- C35 H37 N3 O2 S -","- C140 H148 N12 O8 S4 -","4","1","","Yang, Meipan; Meng, Wenfei; Ding, Qingli; Su, Na; Liu, Xiaojing; Zhang, Ming; Yang, Bingqin","Novel fluorescent probes based on rhodamine for naked-eye detection of Fe3+and their application of imaging in living cells","New J. Chem.","2015","39","6","4790","","10.1039/C5NJ00226E","","","0.71073","MoKα","","0.1756","0.0804","","","0.1809","0.226","","","","","","1.028","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054779","9.0224","0.0008","11.6701","0.001","30.389","0.003","90","","90","","90","","3199.7","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N3 O2 S -","- C37 H39 N3 O2 S -","- C148 H156 N12 O8 S4 -","4","1","","Yang, Meipan; Meng, Wenfei; Ding, Qingli; Su, Na; Liu, Xiaojing; Zhang, Ming; Yang, Bingqin","Novel fluorescent probes based on rhodamine for naked-eye detection of Fe3+and their application of imaging in living cells","New J. Chem.","2015","39","6","4790","","10.1039/C5NJ00226E","","","0.71073","MoKα","","0.0722","0.058","","","0.118","0.1245","","","","","","1.063","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054780","18.6062","0.0018","18.6062","0.0018","30.69","0.03","90","","90","","120","","9201","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","[Cu3(L)(CO3)(ClO4)3](ClO4)","","","- C52 H69 Cl4 Cu3 N9 O22 -","- C52 H69 Cl4 Cu3 N9 O22 -","- C312 H414 Cl24 Cu18 N54 O132 -","6","0.333333","","Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.","Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2","New J. Chem.","2015","39","8","5944","","10.1039/C5NJ00285K","","","0.71073","MoKα","","0.0841","0.077","","","0.1849","0.1895","","","","","","1.177","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054781","10.5041","0.0011","23.516","0.003","18.0212","0.0016","90","","101.48","0.02","90","","4362.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(L2)2(CO3)](ClO4)2.H2O","","","- C31 H74 Cl2 Cu2 N8 O12 -","- C31 H74 Cl2 Cu2 N8 O12 -","- C124 H296 Cl8 Cu8 N32 O48 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.","Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2","New J. Chem.","2015","39","8","5944","","10.1039/C5NJ00285K","","","0.71073","MoKα","","0.0754","0.0601","","","0.1441","0.1542","","","","","","1.017","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054782","7.395","0.0008","10.783","0.0011","12.36","0.0014","102.279","0.001","90.428","0.001","106.08","0.002","923.05","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cu N4 O7 -","- C17 H20 Cu N4 O7 -","- C34 H40 Cu2 N8 O14 -","2","1","","Zhang, WeiChuan; Lu, Xiaoming; Wang, Guo; Cheng, Yifeng; Zhang, Bo","Methyl-substituted enhancement of antitumor activity in square-planar metal complex and analysis of ΔE, ΔG, CV, UV-vis and luminescence","New J. Chem.","2015","39","6","4869","","10.1039/C4NJ01953A","","","0.71073","MoKα","","0.1552","0.121","","","0.2882","0.325","","","","","","1.028","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054783","7.2802","0.0007","11.725","0.001","11.8101","0.0012","119.471","0.002","101.922","0.001","91.086","0.001","850.09","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl Cu N3 O4 -","- C15 H16 Cl Cu N3 O4 -","- C30 H32 Cl2 Cu2 N6 O8 -","2","1","","Zhang, WeiChuan; Lu, Xiaoming; Wang, Guo; Cheng, Yifeng; Zhang, Bo","Methyl-substituted enhancement of antitumor activity in square-planar metal complex and analysis of ΔE, ΔG, CV, UV-vis and luminescence","New J. Chem.","2015","39","6","4869","","10.1039/C4NJ01953A","","","0.71073","MoKα","","0.0412","0.0358","","","0.0915","0.0948","","","","","","1.136","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054784","8.287","0.0017","9.193","0.0018","9.926","0.002","90","","102.89","0.03","90","","737.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cl N5 O4 -","- C2 H6 Cl N5 O4 -","- C8 H24 Cl4 N20 O16 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0403","0.0371","","","0.1101","0.1141","","","","","","1.059","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054785","13.797","0.004","6.5463","0.0019","14.572","0.005","90","","103.617","0.004","90","","1279.1","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N8 O7 -","- C8 H8 N8 O7 -","- C32 H32 N32 O28 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0644","0.0497","","","0.1211","0.1333","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7054786","10.84","0.002","6.6164","0.0013","18.342","0.004","90","","92.26","0.03","90","","1314.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C32 H32 N32 O36 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0366","0.0344","","","0.1012","0.1038","","","","","","1.053","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054787","8.5269","0.0007","6.265","0.0004","12.7601","0.0011","90","","112.003","0.002","90","","632.01","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N6 O3 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.113","0.0851","","","0.2642","0.3002","","","","","","1.046","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054788","5.101","0.0004","7.9797","0.0006","24.095","0.002","90","","91.788","0.002","90","","980.3","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O4 -","- C6 H8 N8 O4 -","- C24 H32 N32 O16 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0396","0.0335","","","0.0785","0.0827","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054789","6.4007","0.0004","7.6439","0.0005","10.1075","0.0008","70.985","0.001","87.798","0.002","85.279","0.002","465.92","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C6 H12 N16 O12 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.1525","0.1101","","","0.2824","0.3047","","","","","","1.094","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054790","12.9857","0.0008","7.8019","0.0004","19.1976","0.0012","90","","101.655","0.005","90","","1904.9","0.2","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl Fe N3 O5 S -","- C17 H17 Cl Fe N3 O5 S -","- C68 H68 Cl4 Fe4 N12 O20 S4 -","4","1","","Bal-Demirci, Tülay; Congur, Gulsah; Erdem, Arzum; Erdem-Kuruca, Serap; Özdemir, Namık; Akgün-Dar, Kadriye; Varol, Başak; Ülküseven, Bahri","Iron(iii) and nickel(ii) complexes as potential anticancer agents: synthesis, physicochemical and structural properties, cytotoxic activity and DNA interactions","New J. Chem.","2015","39","7","5643","","10.1039/C5NJ00594A","","","0.71073","MoKα","","0.1523","0.0598","","","0.1075","0.1277","","","","","","0.875","","","","has coordinates","143721","2020-10-21","18:00:00",""
"7054791","6.5112","0.0016","8.2566","0.0017","19.598","0.005","90","","90","","90","","1053.6","0.4","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C-catena(bis((μ2-chloro)-chloro-(2-(2-methylaminoethyl)pyridine)-copper(II)))","","- C8 H12 Cl2 Cu N2 -","- C8 H12 Cl2 Cu N2 -","- C32 H48 Cl8 Cu4 N8 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0518","0.052","","","","","","0.994","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054792","5.7841","0.0014","13.342","0.002","16.26","0.003","90","","90","","90","","1254.8","0.4","289","2","289","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","A-catena(aqua-dichloro-caffein-copper(II))","","- C8 H12 Cl2 Cu N4 O3 -","- C8 H10 Cl2 Cu N4 O3 -","- C32 H40 Cl8 Cu4 N16 O12 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0286","0.0276","","","0.0715","0.0719","","","","","","1.069","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054793","26.231","0.003","15.548","0.002","16.869","0.003","90","","90","","90","","6879.8","1.7","289","2","289","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Λ-bis(2,2'-bipridine-N,N')-(saccharinato-N)-copper(II) saccharinate dihydrate","","- C34 H28 Cu N6 O8 S2 -","- C34 H24 Cu N6 O8 S2 -","- C272 H192 Cu8 N48 O64 S16 -","8","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0441","0.0384","","","0.0924","0.095","","","","","","0.975","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054794","15.5295","0.0008","23.5505","0.0012","33.0018","0.0018","90","","90","","90","","12069.7","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Li N5 O Si6 Y -","- C40 H77 Li N5 O Si6 Y -","- C320 H616 Li8 N40 O8 Si48 Y8 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1428","0.0564","","","0.1075","0.1193","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054795","15.5306","0.001","23.5561","0.0015","32.975","0.002","90","","90","","90","","12063.6","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Er Li N5 O Si6 -","- C40 H77 Er Li N5 O Si6 -","- C320 H616 Er8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0815","0.042","","","0.1063","0.1167","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054796","15.5608","0.0014","23.561","0.002","33.081","0.003","90","","90","","90","","12128.4","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Dy Li N5 O Si6 -","- C40 H77 Dy Li N5 O Si6 -","- C320 H616 Dy8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1452","0.0689","","","0.2024","0.2316","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054797","16.5667","0.0012","17.4682","0.0012","22.5078","0.0016","90","","104.071","0.001","90","","6318.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Li N6 O2 Si4 Sm -","- C56 H82 Li N6 O2 Si4 Sm -","- C224 H328 Li4 N24 O8 Si16 Sm4 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0846","0.0442","","","0.0982","0.1151","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054798","16.4571","0.0015","17.6102","0.0016","22.308","0.002","90","","104.279","0.001","90","","6265.4","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Er Li N6 O2 Si4 -","- C56 H82 Er Li N6 O2 Si4 -","- C224 H328 Er4 Li4 N24 O8 Si16 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0524","0.0363","","","0.1034","0.1163","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054799","16.4885","0.0009","17.569","0.001","22.3191","0.0012","90","","104.437","0.001","90","","6261.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Li N6 O2 Si4 Yb -","- C56 H82 Li N6 O2 Si4 Yb -","- C224 H328 Li4 N24 O8 Si16 Yb4 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0809","0.0394","","","0.0661","0.077","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054800","22.6209","0.0013","12.2218","0.0007","16.4211","0.0009","90","","128.697","0.001","90","","3543.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N2 O3.5 Pb -","- C20 H19 N2 O3.5 Pb -","- C160 H152 N16 O28 Pb8 -","8","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71","MoKα","","0.0459","0.0307","","","0.0575","0.0619","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054801","10.0789","0.0002","21.1453","0.0003","13.7167","0.0002","90","","102.148","0.002","90","","2857.86","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Cl2 N6 O14 Pb4 -","- C60 H48 Cl2 N6 O14 Pb4 -","- C120 H96 Cl4 N12 O28 Pb8 -","2","0.5","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71","MoKα","","0.0505","0.0379","","","0.063","0.0688","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054802","15.6793","0.0004","21.2137","0.0005","26.0127","0.0005","90","","99.137","0.001","90","","8542.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H76 N22 O8 Pb -","- C96 H76 N22 O8 Pb -","- C384 H304 N88 O32 Pb4 -","4","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71073","MoKα","","0.0571","0.0438","","","0.1074","0.1157","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054803","13.0328","0.0005","14.6898","0.0005","16.6176","0.0008","94.303","0.003","108.155","0.004","108.11","0.003","2820.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 Cl2 N8 O7 Pb Zn -","- C51 H43 Cl2 N8 O7 Pb Zn -","- C102 H86 Cl4 N16 O14 Pb2 Zn2 -","2","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","1.54178","CuKα","","0.0968","0.0855","","","0.2694","0.2925","","","","","","1.086","","","","has coordinates","143727","2020-10-21","18:00:00",""
"7054804","10.5471","0.0005","11.2905","0.0006","13.1499","0.0006","71.518","0.004","69.935","0.004","87.015","0.004","1392.18","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 O4 S2 Sm2 -","- C60 H90 O4 S2 Sm2 -","- C60 H90 O4 S2 Sm2 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0278","0.0242","","","0.0571","0.0579","","","","","","0.986","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054805","12.415","0.002","12.471","0.003","17.87","0.003","97.595","0.016","101.297","0.015","112.448","0.015","2441.3","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H136 O12 S6 Sm4 -","- C94 H136 O12 S6 Sm4 -","- C94 H136 O12 S6 Sm4 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.1352","0.0867","","","0.1991","0.2163","","","","","","0.941","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054806","8.5615","0.0003","20.6022","0.0009","11.7388","0.0006","90","","100.794","0.004","90","","2033.92","0.16","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O2 S Sm -","- C20 H30 O2 S Sm -","- C80 H120 O8 S4 Sm4 -","4","1","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0656","0.0466","","","0.119","0.1272","","","","","","1.044","","","","has coordinates,has disorder","162062","2020-10-21","18:00:00",""
"7054807","11.8154","0.0004","12.3472","0.0004","12.4497","0.0004","76.608","0.002","72.242","0.002","74.217","0.002","1642.46","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H98 O8 S4 Sm2 -","- C67 H97 O8 S4 Sm2 -","- C67 H97 O8 S4 Sm2 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0319","0.0302","","","0.0815","0.0825","","","","","","1.094","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054808","11.0828","0.0016","8.3612","0.0012","25.823","0.004","90","","92.896","0.003","90","","2389.8","0.6","100","2","99.85","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O12 S2 -","- C18 H36 N2 O12 S2 -","- C72 H144 N8 O48 S8 -","4","2","","Adokoh, Christian K.; Obuah, Collins; Kinfe, Henok H.; Zinyemba, Orpah; Darkwa, James","Novel bio-friendly and non-toxic thiocarbohydrate stabilizers of gold nanoparticles","New J. Chem.","2015","39","7","5249","","10.1039/C5NJ00293A","","","0.71073","MoKα","","0.0838","0.0498","","","0.1113","0.1343","","","","","","1.013","","","","has coordinates","143730","2020-10-21","18:00:00",""
"7054809","12.5424","0.0001","22.7691","0.0003","24.9695","0.0002","90","","90","","90","","7130.77","0.12","173","2","173.15","","","","","","","","","5","P b c 21","P 2c -2b","29","","1","","- C68 H120 N2 Si4 U2 -","- C68 H120 N2 Si4 U2 -","- C272 H480 N8 Si16 U8 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","","0.71073","MoKα","","0.0468","0.0334","","","0.0775","0.0982","","","","","","1.223","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7054810","11.8517","0.0002","14.9317","0.0002","22.2479","0.0003","90","","91.366","0.002","90","","3936","0.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","1.THF","","- C38 H68 N O Si2 U -","- C38 H68 N O Si2 U -","- C152 H272 N4 O4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","1.54184","CuKα","","0.0587","0.0539","","","0.1503","0.1539","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054811","11.8847","0.0007","14.9475","0.0008","22.5236","0.0014","90","","89.568","0.005","90","","4001.1","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2THF","","","- C38 H68 O P Si2 U -","- C38 H68 O P Si2 U -","- C152 H272 O4 P4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","Mo/Ka","","0.0429","0.0298","","","0.0641","0.07","","","","","","1.047","","","","has coordinates,has disorder","162082","2020-10-21","18:00:00",""
"7054812","11.9699","0.0002","14.9384","0.0002","22.3338","0.0004","90","","90.538","0.001","90","","3993.36","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","3.THF","","- C38 H68 As O Si2 U -","- C38 H68 As O Si2 U -","- C152 H272 As4 O4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","MoKα","","0.0686","0.0396","","","0.0909","0.1146","","","","","","1.12","","","","has coordinates","162082","2020-10-21","18:00:00",""
"7054813","12.961","0.0009","14.6337","0.001","22.2106","0.0016","97.035","0.006","97.053","0.006","102.983","0.007","4024.5","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","4","4","","- C70 H120 N2 O5 Si4 U2 -","- C70 H120 N2 O5 Si4 U2 -","- C140 H240 N4 O10 Si8 U4 -","2","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","","0.71073","MoKα","","0.1155","0.0703","","","0.1751","0.1944","","","","","","1.012","","","","has coordinates","162082","2020-10-21","18:00:00",""
"7054814","22.3131","0.0004","15.0442","0.0003","22.7699","0.0004","90","","96.826","0.001","90","","7589.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5","","- C70 H120 O5 P2 Si4 U2 -","- C70 H120 O5 P2 Si4 U2 -","- C280 H480 O20 P8 Si16 U8 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","MoKα","","0.0922","0.0484","","","0.0717","0.0816","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054815","5.7245","0.0008","11.1337","0.0017","12.3817","0.0019","66.474","0.002","87.523","0.002","89.655","0.002","722.82","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 F4 I N O -","- C11 H18 F4 I N O -","- C22 H36 F8 I2 N2 O2 -","2","1","","Pang, Xue; Jin, Wei Jun","Exploring the halogen bond specific solvent effects in halogenated solvent systems by ESR probe","New J. Chem.","2015","39","7","5477","","10.1039/C5NJ00300H","","","0.71073","MoKα","","0.0206","0.0197","","","0.0469","0.0475","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054816","9.9973","0.0002","12.1216","0.0002","13.5814","0.0003","96.247","0.001","105.047","0.001","108.529","0.001","1473.76","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H26 N3 Ni O P S3 -","- C30 H26 N3 Ni O P S3 -","- C60 H52 N6 Ni2 O2 P2 S6 -","2","1","","Sathiyaraj, Ethiraj; Gurumoorthy, Govindasamy; Thirumaran, Subbiah","Nickel(ii) dithiocarbamate complexes containing the pyrrole moiety for sensing anions and synthesis of nickel sulfide and nickel oxide nanoparticles","New J. Chem.","2015","39","7","5336","","10.1039/C4NJ02250E","","","0.71073","MoKα","","0.0397","0.0315","","","0.0827","0.0894","","","","","","0.957","","","","has coordinates","143732","2020-10-21","18:00:00",""
"7054817","12.8102","0.0003","12.3291","0.0003","10.2865","0.0002","90","","112.007","0.001","90","","1506.26","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Sontakke, Vyankat A.; Kate, Anup N.; Ghosh, Sougata; More, Piyush; Gonnade, Rajesh; Kumbhar, Navanath M.; Kumbhar, Anupa A.; Chopade, Balu A.; Shinde, Vaishali S.","Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives","New J. Chem.","2015","39","6","4882","","10.1039/C4NJ02415J","","","0.71073","MoKα","","0.1088","0.0809","","","0.2133","0.2479","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054818","9.3823","0.0011","20.167","0.002","16.4339","0.0019","90","","99.864","0.002","90","","3063.5","0.6","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Ir Lu N Si -","- C28 H47 Ir Lu N Si -","- C112 H188 Ir4 Lu4 N4 Si4 -","4","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1231","0.0631","","","0.1233","0.1379","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054819","9.6879","0.001","10.9527","0.0011","18.836","0.002","73.159","0.001","85.811","0.002","78.961","0.001","1877.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H60 Ir N2 Sc Si2 -","- C35 H60 Ir N2 Sc Si2 -","- C70 H120 Ir2 N4 Sc2 Si4 -","2","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.0784","0.0733","","","0.2075","0.2178","","","","","","1.142","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054820","46.05","0.03","9.62","0.006","19.635","0.013","90","","90.619","0.011","90","","8698","10","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 Ir Lu N3 Si -","- C45 H60 Ir Lu N3 Si -","- C360 H480 Ir8 Lu8 N24 Si8 -","8","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1749","0.0524","","","0.0809","0.1112","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054821","12.688","0.007","15.745","0.009","20.071","0.011","90","","95.867","0.009","90","","3989","4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Ir Lu N3 Si -","- C42 H57 Ir Lu N3 Si -","- C168 H228 Ir4 Lu4 N12 Si4 -","4","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1017","0.0424","","","0.0698","0.0824","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054822","9.431","0.002","10.568","0.003","18.813","0.005","85.387","0.004","79.968","0.003","74.367","0.003","1777","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 Ir Lu N2 O Si -","- C36 H52 Ir Lu N2 O Si -","- C72 H104 Ir2 Lu2 N4 O2 Si2 -","2","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.0972","0.0715","","","0.1669","0.1743","","","","","","0.924","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054823","9.776","0.002","13.149","0.003","16.983","0.003","101.28","0.03","105.35","0.03","108.19","0.03","1905.5","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 Ho N6 -","- C36 H57 Ho N6 -","- C72 H114 Ho2 N12 -","2","1","","Sroor, Farid M.; Hrib, Cristian G.; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and catalytic activity of homoleptic lanthanide-tris(cyclopropylethinyl)amidinates","New J. Chem.","2015","39","10","7595","","10.1039/C5NJ00555H","","","0.71073","MoKα","","0.0379","0.0343","","","0.0891","0.0908","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054824","9.7257","0.0019","10.383","0.002","10.558","0.002","70.77","0.03","65.92","0.03","70.83","0.03","895.5","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C42 H56 N4 -","2","1","","Sroor, Farid M.; Hrib, Cristian G.; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and catalytic activity of homoleptic lanthanide-tris(cyclopropylethinyl)amidinates","New J. Chem.","2015","39","10","7595","","10.1039/C5NJ00555H","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1512","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054825","6.4203","0.0011","18.901","0.003","6.5776","0.0011","90","","104.022","0.004","90","","774.4","0.2","293","2","293","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O8 -","- C14 H16 N4 O8 -","- C28 H32 N8 O16 -","2","0.5","","Briceño, Alexander; Leal, Dayana; Díaz de Delgado, Graciela","A novel example of double reactivity by either photochemical [2+2] or thermal additions of an ionic organic supramolecular assembly","New J. Chem.","2015","39","6","4965","","10.1039/C5NJ00678C","","","0.7107","MoKα","","0.0563","0.0462","","","0.114","0.1214","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054826","7.646","0.005","7.48","0.005","13.756","0.01","90","","96.521","0.019","90","","781.6","0.9","293","2","293","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Briceño, Alexander; Leal, Dayana; Díaz de Delgado, Graciela","A novel example of double reactivity by either photochemical [2+2] or thermal additions of an ionic organic supramolecular assembly","New J. Chem.","2015","39","6","4965","","10.1039/C5NJ00678C","","","0.7107","MoKα","","0.114","0.0799","","","0.1967","0.2158","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054827","13.4467","0.0001","20.6731","0.0002","25.1841","0.0002","83.205","0.001","74.743","0.001","77.61","0.001","6582.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H104 B2 N12 Yb -","- C59 H104 B2 N12 Yb -","- C236 H416 B8 N48 Yb4 -","4","2","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0524","0.0363","","","0.064","0.0689","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054828","12.9942","0.001","13.6332","0.001","20.9744","0.0016","104.267","0.0008","94.869","0.0008","115.641","0.0007","3167.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H95 B2 N13 Sm -","- C56 H95 B2 N13 Sm -","- C112 H190 B4 N26 Sm2 -","2","1","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0334","0.0271","","","0.0645","0.0678","","","","","","1.051","","","","has coordinates","162113","2020-10-21","18:00:00",""
"7054829","13.9188","0.0009","16.8238","0.0011","21.9614","0.0015","90","","90.3416","0.001","90","","5142.5","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 B N11 Sm -","- C47 H79 B N11 Sm -","- C188 H316 B4 N44 Sm4 -","4","1","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0399","0.0287","","","0.0662","0.0715","","","","","","1.024","","","","has coordinates","162113","2020-10-21","18:00:00",""
"7054830","9.979","0.005","12.906","0.007","13.397","0.007","94.04","0.005","94.595","0.005","105.072","0.005","1653.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 F3 Ir N6 -","- C36 H24 F3 Ir N6 -","- C72 H48 F6 Ir2 N12 -","2","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.0543","0.0418","","","0.0781","0.0815","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054831","9.307","0.007","12.792","0.009","13.798","0.01","96.684","0.007","98.707","0.007","109.386","0.006","1507.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 F3 Ir N6 -","- C30 H20 F3 Ir N6 -","- C60 H40 F6 Ir2 N12 -","2","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.0568","0.0424","","","0.0856","0.09","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054832","13.163","0.007","20.032","0.011","23.737","0.013","90","","90","","90","","6259","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 F Ir N6 -","- C35 H24 F Ir N6 -","- C280 H192 F8 Ir8 N48 -","8","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.078","0.0421","","","0.0713","0.0791","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054833","6.4945","0.0007","11.1068","0.001","11.7301","0.0013","101.467","0.009","102.098","0.009","106.947","0.009","760.24","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.0629","0.0431","","","0.1045","0.1142","","","","","","0.964","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054834","6.7086","0.001","10.3187","0.0018","10.8136","0.0012","74.967","0.012","84.813","0.01","72.281","0.014","688.59","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N3 Pd S4 -","- C29 H29 N3 Pd S4 -","- C29 H29 N3 Pd S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1217","0.0931","","","0.2176","0.2487","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054835","7.0268","0.001","10.6267","0.0018","13.7577","0.0016","104.768","0.012","103.014","0.011","105.644","0.014","907.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 N4 Ni O6 S4 -","- C34 H38 N4 Ni O6 S4 -","- C34 H38 N4 Ni O6 S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1042","0.0573","","","0.1103","0.1286","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054836","8.3049","0.0006","21.4036","0.0011","9.147","0.0007","90","","103.609","0.007","90","","1580.27","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","- C64 H64 N4 Ni2 O4 S8 -","2","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1422","0.074","","","0.1471","0.1741","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054837","9.6624","0.0013","9.8119","0.0011","15.7422","0.0018","90","","104.595","0.004","90","","1444.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-tert-butyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C17 H18 N3 -","- C17 H18 N3 -","- C68 H72 N12 -","4","1","","Takahashi, Yusuke; Miura, Youhei; Yoshioka, Naoki","Synthesis and properties of the 3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl radical","New J. Chem.","2015","39","6","4783","","10.1039/C5NJ00393H","","","0.71073","MoKα","","0.0929","0.0523","","","0.1345","0.1683","","","","","","0.86","","","","has coordinates","138791","2020-10-21","18:00:00",""
"7054838","5.592","0.002","18.904","0.007","15.882","0.005","90","","92.487","0.011","90","","1677.3","1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 F3 N3 -","- C18 H17 F3 N3 -","- C72 H68 F12 N12 -","4","1","","Takahashi, Yusuke; Miura, Youhei; Yoshioka, Naoki","Synthesis and properties of the 3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl radical","New J. Chem.","2015","39","6","4783","","10.1039/C5NJ00393H","","","0.71073","MoKα","","0.1132","0.0662","","","0.1736","0.2069","","","","","","1.06","","","","has coordinates,has disorder","138791","2020-10-21","18:00:00",""
"7054839","11.0722","0.0003","22.891","0.0007","19.0774","0.0006","90","","98.033","0.001","90","","4787.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti","","- C19 H33 Cl4 N O Ti -","- C19 H33 Cl4 N O Ti -","- C152 H264 Cl32 N8 O8 Ti8 -","8","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0482","0.0367","","","0.0923","0.0994","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054840","29.4978","0.0015","11.1493","0.0005","21.1407","0.0009","90","","112.578","0.002","90","","6419.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","zr1","","- C28 H41 Cl4 N2 O Zr -","- C28 H41 Cl4 N2 O Zr -","- C224 H328 Cl32 N16 O8 Zr8 -","8","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0517","0.0415","","","0.1146","0.1238","","","","","","1.034","","","","has coordinates,has disorder","143736","2020-10-21","18:00:00",""
"7054841","21.5507","0.0013","11.4122","0.0006","10.7699","0.0006","90","","95.411","0.002","90","","2637","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl4 N2 O2 Zr -","- C21 H34 Cl4 N2 O2 Zr -","- C84 H136 Cl16 N8 O8 Zr4 -","4","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0535","0.0414","","","0.0956","0.1021","","","","","","1.074","","","","has coordinates","143736","2020-10-21","18:00:00",""
"7054842","20.6487","0.0009","10.3507","0.0004","14.0719","0.0007","90","","99.266","0.002","90","","2968.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tbu_hf","","- C52.14 H80.16 Cl6 Hf N2 O2 -","- C52.14 H80.16 Cl6 Hf N2 O2 -","- C104.28 H160.32 Cl12 Hf2 N4 O4 -","2","0.5","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0507","0.0362","","","0.0888","0.1133","","","","","","1.177","","","","has coordinates,has disorder","143736","2020-10-21","18:00:00",""
"7054843","5.6074","0.0006","14.7841","0.0016","20.027","0.002","90","","90","","90","","1660.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","","Ren, Qiao; Gao, Tao; Li, Wenjun; Wan, Li; Hu, Yimin; Peng, Yanhong; Sun, Shaofa; Hu, Liqiang; Wu, Minghu; Guo, Haibing; Wang, Jian","A highly enantioselective Michael reaction between α,β-unsaturated ketones and malonic acid half-thioesters","New J. Chem.","2015","39","7","5100","","10.1039/C5NJ00719D","","","0.71073","MoKα","","0.032","0.029","","","0.0599","0.0608","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054844","12.385","0.003","12.928","0.003","15.373","0.004","95.319","0.003","111.299","0.003","105.141","0.003","2165","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 B F2 N2 O2 -","- C52 H55 B F2 N2 O2 -","- C104 H110 B2 F4 N4 O4 -","2","1","","Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya","Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality","New J. Chem.","2015","39","8","5886","","10.1039/C5NJ00611B","","","0.71073","MoKα","","0.0686","0.0512","","","0.1198","0.1316","","","","","","1.012","","","","has coordinates,has disorder","153253","2020-10-21","18:00:00",""
"7054845","14.0234","0.0006","28.7145","0.0013","11.204","0.0005","90","","115.449","0.002","90","","4073.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 B F2 N2 O4 -","- C48 H45 B F2 N2 O4 -","- C192 H180 B4 F8 N8 O16 -","4","0.5","","Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya","Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality","New J. Chem.","2015","39","8","5886","","10.1039/C5NJ00611B","","","0.71073","MoKα","","0.0589","0.0457","","","0.1026","0.1103","","","","","","1.021","","","","has coordinates,has disorder","153253","2020-10-21","18:00:00",""
"7054846","8.2271","0.0012","13.429","0.002","13.894","0.002","90","","101.83","0.003","90","","1502.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C68 H40 N8 O24 -","4","1","","Das, Avijit Kumar; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","Neighbouring group participation of thiol through aldehyde group assisted thiolysis of active ether: ratiometric and vapor phase fast detection of hydrogen sulfide in mixed aqueous media","New J. Chem.","2015","39","7","5669","","10.1039/C5NJ00689A","","","0.71073","MoKα","","0.0583","0.0393","","","0.1099","0.1257","","","","","","1.047","","","","has coordinates","143724","2020-10-21","18:00:00",""
"7054847","21.9055","0.0019","4.6272","0.0004","13.7499","0.0012","90","","92.655","0.002","90","","1392.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O5 -","- C16 H10 N2 O5 -","- C64 H40 N8 O20 -","4","1","","Das, Avijit Kumar; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","Neighbouring group participation of thiol through aldehyde group assisted thiolysis of active ether: ratiometric and vapor phase fast detection of hydrogen sulfide in mixed aqueous media","New J. Chem.","2015","39","7","5669","","10.1039/C5NJ00689A","","","0.71073","MoKα","","0.0763","0.0508","","","0.1392","0.1603","","","","","","1.048","","","","has coordinates","143724","2020-10-21","18:00:00",""
"7054848","9.56","0.004","12.62","0.005","21.55","0.008","88.897","0.007","84.185","0.007","87.425","0.007","2583.7","1.8","150","2","150.03","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu6 F36 N12 -","- C36 H12 Cu6 F36 N12 -","- C72 H24 Cu12 F72 N24 -","2","1","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.05","0.0374","","","0.0968","0.1056","","","","","","1.025","","","","has coordinates,has disorder","143729","2020-10-21","18:00:00",""
"7054849","19.975","0.002","19.975","0.002","13.2744","0.0014","90","","90","","120","","4586.9","0.8","150","2","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H15 Cu3 F18 N6 -","- C24 H15 Cu3 F18 N6 -","- C144 H90 Cu18 F108 N36 -","6","0.333333","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.0341","0.0275","","","0.0634","0.0659","","","","","","1.032","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7054850","11.7936","0.0011","12.4534","0.0011","12.7263","0.0011","109.803","0.002","117.447","0.002","95.807","0.002","1484.7","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H11 Cu3 F18 N6 -","- C25 H11 Cu3 F18 N6 -","- C50 H22 Cu6 F36 N12 -","2","1","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.0235","0.0223","","","0.0569","0.0576","","","","","","1.04","","","","has coordinates,has disorder","143729","2020-10-21","18:00:00",""
"7054851","10.0903","0.0005","10.8463","0.0005","21.9151","0.0011","90","","93.491","0.004","90","","2394","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 K O2 Si2 -","- C19 H37 K O2 Si2 -","- C76 H148 K4 O8 Si8 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","x-ray","0.71073","MoKα","","0.0642","0.0549","","","0.1377","0.1456","","","","","","1.053","","","","has coordinates,has disorder","162066","2020-10-21","18:00:00",""
"7054852","10.7116","0.0019","11.485","0.003","13.285","0.003","72.517","0.019","83.217","0.015","79.146","0.017","1527.7","0.6","100.03","0.11","100.03","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 I2 La2 Si8 -","- C44 H84 I2 La2 Si8 -","- C44 H84 I2 La2 Si8 -","1","0.5","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.1663","0.0976","","","0.1642","0.2255","","","","","","1.06","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054853","10.7177","0.0007","11.5326","0.0007","13.3332","0.0008","72.794","0.005","83.327","0.005","78.87","0.005","1541.59","0.17","150.02","0.11","150.02","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 Ce2 I2 Si8 -","- C44 H84 Ce2 I2 Si8 -","- C44 H84 Ce2 I2 Si8 -","1","0.5","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0676","0.0534","","","0.0887","0.0949","","","","","","1.086","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054854","11.0319","0.0004","16.0851","0.0011","20.1692","0.0007","90","","90","","90","","3579","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 I La O Si4 -","- C26 H50 I La O Si4 -","- C104 H200 I4 La4 O4 Si16 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0527","0.0453","","","0.081","0.0846","","","","","","1.097","","","","has coordinates,has disorder","162066","2020-10-21","18:00:00",""
"7054855","10.5085","0.0005","11.3227","0.0004","23.7712","0.0008","90.523","0.003","98.515","0.003","104.372","0.003","2706.58","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 Ce2 I2 -","- C52 H84 Ce2 I2 -","- C104 H168 Ce4 I4 -","2","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0561","0.0393","","","0.0641","0.0728","","","","","","1.025","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054856","11.8979","0.0007","14.6707","0.0007","37.397","0.002","90","","90","","90","","6527.7","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H45 Ce I2 O2 Si3 -","- C22 H45 Ce I2 O2 Si3 -","- C176 H360 Ce8 I16 O16 Si24 -","8","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.1065","0.0589","","","0.07","0.0802","","","","","","1.073","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054857","16.9173","0.0004","13.045","0.0003","20.6985","0.0006","90","","92.959","0.002","90","","4561.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 Ce I O Si6 -","- C32 H66 Ce I O Si6 -","- C128 H264 Ce4 I4 O4 Si24 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.057","0.0416","","","0.0725","0.0802","","","","","","1.024","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054858","38.4377","0.0014","17.9044","0.0005","25.5605","0.0007","90","","109.755","0.003","90","","16555.6","0.9","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H65 Ce N2 Si7 -","- C26 H65 Ce N2 Si7 -","- C416 H1040 Ce16 N32 Si112 -","16","2","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","x-ray","0.71073","MoKα","","0.1311","0.0957","","","0.2443","0.2851","","","","","","1.025","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054859","19.1506","0.0011","8.9975","0.0005","24.1828","0.0014","90","","108.305","0.001","90","","3956","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 Al N O Y -","- C35 H61 Al N O Y -","- C140 H244 Al4 N4 O4 Y4 -","4","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0577","0.0413","","","0.0893","0.095","","","","","","1.031","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054860","9.1367","0.0003","12.1049","0.0004","13.2803","0.0004","77.756","0.001","81.137","0.001","88.071","0.001","1418.24","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 Al2 Lu N -","- C26 H42 Al2 Lu N -","- C52 H84 Al4 Lu2 N2 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0153","0.0143","","","0.0367","0.0372","","","","","","1.106","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054861","12.109","0.0003","13.67","0.0003","13.7168","0.0003","105.191","0.001","113.695","0.001","106.489","0.001","1801.47","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Al Lu N2 -","- C39 H56 Al Lu N2 -","- C78 H112 Al2 Lu2 N4 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.022","0.0179","","","0.0407","0.042","","","","","","1.034","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054862","6.8749","0.0003","19.6763","0.0008","12.1047","0.0005","90","","124.608","0.002","90","","1347.7","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 Al N -","- C13 H25.9992 Al N -","- C52 H103.997 Al4 N4 -","4","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0417","0.0383","","","0.103","0.1049","","","","","","1.113","","","","has coordinates,has disorder","162052","2020-10-21","18:00:00",""
"7054863","9.4592","0.0004","12.2445","0.0005","14.0256","0.0006","68.379","0.002","80.349","0.001","82.208","0.002","1483.98","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Al N2 Y -","- C32 H46 Al N2 Y -","- C64 H92 Al2 N4 Y2 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0382","0.0346","","","0.0913","0.0933","","","","","","1.035","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054864","49.6386","0.0013","12.3116","0.0003","35.9711","0.0016","90","","131.598","0.001","90","","16439.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H142 Al2 N2 Y2 -","- C76 H142 Al2 N2 Y2 -","- C608 H1136 Al16 N16 Y16 -","8","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0819","0.0687","","","0.1523","0.1579","","","","","","1.165","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054865","10.9907","0.0006","11.3474","0.0006","15.5308","0.0008","78.443","0.001","85.233","0.001","72.758","0.001","1811.81","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Bi2 Cl10 N4 O2 -","- C24 H32 Bi2 Cl10 N4 O2 -","- C48 H64 Bi4 Cl20 N8 O4 -","2","1","","Adonin, Sergey A.; Rakhmanova, Marianna E.; Smolentsev, Anton I.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation","New J. Chem.","2015","39","7","5529","","10.1039/C5NJ00889A","","","0.71073","","","0.0166","0.0137","","","0.0336","0.0347","","","","","","1.056","","","","has coordinates","143726","2020-10-21","18:00:00",""
"7054866","9.9694","0.0004","10.7558","0.0005","10.8145","0.0005","63.208","0.001","68.53","0.001","81.138","0.001","963.23","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Bi2 Br10 N4 O2 -","- C24 H32.02 Bi2 Br10 N4 O2 -","- C24 H32.02 Bi2 Br10 N4 O2 -","1","0.5","","Adonin, Sergey A.; Rakhmanova, Marianna E.; Smolentsev, Anton I.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation","New J. Chem.","2015","39","7","5529","","10.1039/C5NJ00889A","","","0.71073","","","0.0313","0.0223","","","0.0474","0.0491","","","","","","1.028","","","","has coordinates","143726","2020-10-21","18:00:00",""
"7054867","11.126","0.009","8.548","0.007","13.382","0.01","90","","96.17","0.014","90","","1265.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N2 O3 -","- C12 H12 Cl N2 O3 -","- C48 H48 Cl4 N8 O12 -","4","2","","Xia, Ai-Bao; Zhang, Xiao-Long; Wang, Tao; Du, Xiao-Hua; Xu, Dan-Qian; Xu, Zhen-Yuan","Enantioselective synthesis of functionalized 3,4-disubstituted dihydro-2(1H)-quinolinones via Michael‒hemiaminalization/oxidation reaction","New J. Chem.","2015","39","7","5088","","10.1039/C4NJ01718H","","","0.71073","MoKα","","0.0437","0.0368","","","0.1001","0.1049","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054868","8.7793","0.0015","8.4442","0.0015","23.81","0.004","90","","97.312","0.006","90","","1750.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 O3 S -","- C18 H18 F2 N2 O3 S -","- C72 H72 F8 N8 O12 S4 -","4","1","","Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He","Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study","New J. Chem.","2015","39","7","5776","","10.1039/C4NJ01932F","","","0.71073","MoKα","","0.0524","0.0468","","","0.1367","0.1432","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054869","12.9357","0.0016","19.6992","0.0007","7.3342","0.0009","90","","139.81","0.03","90","","1206.1","0.8","291","2","291.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","1","","Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He","Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study","New J. Chem.","2015","39","7","5776","","10.1039/C4NJ01932F","","","1.54184","CuKα","","0.0425","0.0398","","","0.1014","0.106","","","","","","1.044","","","","has coordinates","143720","2020-10-21","18:00:00",""
"7054870","8.3155","0.0002","11.8276","0.0003","17.5749","0.0005","88.157","0.001","89.051","0.001","75.447","0.001","1672.15","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H53 N3 Si6 Te U -","- C18 H53 N3 Si6 Te U -","- C36 H106 N6 Si12 Te2 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides","New J. Chem.","2015","39","10","7563","","10.1039/C5NJ00739A","","","0.71073","MoKα","","0.0264","0.0213","","","0.0464","0.0479","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054871","15.6285","0.0012","20.3969","0.0016","14.6493","0.0013","90","","100.297","0.004","90","","4594.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H74 K N3 O2 S2 Si6 U -","- C26 H74 K N3 O2 S2 Si6 U -","- C104 H296 K4 N12 O8 S8 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides","New J. Chem.","2015","39","10","7563","","10.1039/C5NJ00739A","","","0.71073","MoKα","","0.0224","0.0174","","","0.0385","0.0399","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054872","20.835","0.003","14.682","0.002","23.143","0.003","90","","115.188","0.006","90","","6406.3","1.5","143","1","143","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H87 Ce F3 K N6 O6 S -","- C61 H87 Ce F3 K N6 O6 S -","- C244 H348 Ce4 F12 K4 N24 O24 S4 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0798","0.0611","","","0.1329","0.1482","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054873","14.4458","0.0009","14.7681","0.0009","15.4079","0.001","92.43","0.003","91.434","0.003","110.149","0.003","3080.4","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H86 Ce K N6 O4 -","- C63 H86 Ce K N6 O4 -","- C126 H172 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0239","0.0215","","","0.0541","0.0559","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054874","12.1981","0.0009","13.1778","0.001","19.5063","0.0013","97.217","0.004","96.618","0.004","98.276","0.004","3049.8","0.4","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H92 Ce K N6 O4 -","- C64 H84 Ce K N6 O4 -","- C128 H168 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0429","0.0345","","","0.0781","0.0817","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054875","11.3184","0.0008","13.5855","0.0011","23.2211","0.0017","85.902","0.004","76.841","0.004","77.042","0.004","3387.5","0.4","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H96 Ce K N6 O4 -","- C53 H84 Ce K N6 O4 -","- C106 H168 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0524","0.0462","","","0.1361","0.1434","","","","","","0.777","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054876","11.7314","0.0012","16.311","0.0015","24.948","0.002","90","","97.884","0.005","90","","4728.7","0.8","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 Ce K N6 O4 -","- C45 H68 Ce K N6 O4 -","- C180 H272 Ce4 K4 N24 O16 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0335","0.0279","","","0.0732","0.075","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054877","26.329","0.003","14.3707","0.0013","33.138","0.003","90","","109.328","0.005","90","","11832","2","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H84 Ce K N4 O4 -","- C57 H84 Ce K N4 O4 -","- C456 H672 Ce8 K8 N32 O32 -","8","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0774","0.0623","","","0.1331","0.1386","","","","","","1.287","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054878","49.697","0.005","49.697","0.005","10.6526","0.0012","90","","90","","120","","22785","4","143","1","143","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H74 Ce K N6 O4 -","- C43 H72 Ce K N6 O4 -","- C774 H1296 Ce18 K18 N108 O72 -","18","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.1606","0.0649","","","0.1335","0.171","","","","","","0.8","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054879","10.5168","0.0005","14.2353","0.0007","19.0676","0.001","94.568","0.003","100.046","0.002","110.486","0.003","2602.3","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H76 Ce K N6 O4 -","- C49.5 H76 Ce K N6 O4 -","- C99 H152 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0294","0.0262","","","0.0633","0.065","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054880","12.8015","0.0006","21.5451","0.0008","13.7718","0.0008","90","","112.598","0.006","90","","3506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 F2 Ir N2 O4 -","- C43 H29 F2 Ir N2 O4 -","- C172 H116 F8 Ir4 N8 O16 -","4","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71","MoKα","","0.0769","0.048","","","0.1051","0.1186","","","","","","1.026","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054881","11.2055","0.0003","12.7447","0.0005","14.5575","0.0005","65.313","0.004","87.69","0.002","77.97","0.003","1844.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 Ir N2 O4 -","- C45 H35 Ir N2 O4 -","- C90 H70 Ir2 N4 O8 -","2","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","1.54184","CuKα","","0.029","0.0245","","","0.0579","0.0606","","","","","","1.077","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054882","10.0973","0.0003","24.018","0.0009","14.6736","0.0004","90","","100.473","0.003","90","","3499.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Ir N2 O4 -","- C43 H31 Ir N2 O4 -","- C172 H124 Ir4 N8 O16 -","4","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71073","MoKα","","0.059","0.0385","","","0.0698","0.0765","","","","","","1.065","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054883","14.8134","0.00016","14.8134","0.00016","17.0733","0.0004","90","","90","","90","","3746.51","0.1","120","0.1","120","0.1","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C174 H108 Cl8 F16 Ir4 N8 O16 -","4","","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71073","MoKα","","0.0485","0.0329","","","0.0796","0.0901","","","","","","1.054","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7054884","18.1422","0.0004","18.1422","0.0004","25.8426","0.0005","90","","90","","120","","7366.3","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Cl6 N9 Zn3 -","- C45 H33 Cl6 N9 Zn3 -","- C270 H198 Cl36 N54 Zn18 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","1.54184","CuKα","","0.0608","0.0516","","","0.1505","0.1574","","","","","","1.072","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054885","16.1561","0.0008","16.1561","0.0008","31.8535","0.0014","90","","90","","120","","7200.5","0.6","160","10","160","10","","","","","","","","6","R -3","-R 3","148","","","","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C276 H204 Cd18 Cl54 N54 O1.5 -","3","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","x-ray","1.54184","CuKα","","0.1087","0.0766","","","0.1987","0.2267","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054886","17.976","0.002","17.976","0.002","27.338","0.003","90","","90","","120","","7650.4","1.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Br8 Hg4 N9 -","- C45 H33 Br8 Hg4 N9 -","- C270 H198 Br48 Hg24 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.1625","0.0791","","","0.1766","0.2219","","","","","","1.045","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054887","18.3083","0.0007","18.3083","0.0007","29.1307","0.0008","90","","90","","120","","8456.2","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Hg4 I8 N9 -","- C45 H33 Hg4 I8 N9 -","- C270 H198 Hg24 I48 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.0899","0.0516","","","0.118","0.1379","","","","","","1.03","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054888","6.1617","0.0008","10.5098","0.0013","17.3476","0.0017","90","","98.607","0.01","90","","1110.7","0.2","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N2 P -","- C26 H29 N2 P -","- C52 H58 N4 P2 -","2","1","","Ma, Wangyang; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich rare-earth metal tris(alkyl) ate complexes catalyzed phosphaguanylation reaction of phosphines with carbodiimides: an efficient synthesis of phosphaguanidines","New J. Chem.","2015","39","10","7649","","10.1039/C5NJ01136A","","","0.71073","MoKα","","0.0618","0.0508","","","0.1192","0.129","","","","","","1.039","","","","has coordinates","162057","2020-10-21","18:00:00",""
"7054889","9.1198","0.0005","9.6075","0.0005","14.3241","0.0008","94.951","0.002","98.05","0.003","92.029","0.002","1236.62","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(iron(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Fe N3 O9 S2 -","- C21 H31 Fe N3 O9 S2 -","- C42 H62 Fe2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0278","0.0238","","","0.0689","0.0705","","","","","","1.069","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054890","9.1132","0.0011","9.5953","0.0012","14.2855","0.0017","94.791","0.005","98.229","0.005","91.873","0.006","1230.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(cobalt(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Co N3 O9 S2 -","- C21 H31 Co N3 O9 S2 -","- C42 H62 Co2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0344","0.0264","","","0.0684","0.072","","","","","","1.024","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054891","9.1684","0.0003","9.6557","0.0003","14.3787","0.0005","95.2967","0.0017","97.8338","0.0017","92.5755","0.0017","1253.51","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Mn N3 O9 S2 -","- C21 H31 Mn N3 O9 S2 -","- C42 H62 Mn2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0482","0.03","","","0.0701","0.0745","","","","","","0.936","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054892","14.4054","0.0013","6.3686","0.0005","25.906","0.003","90","","101.775","0.01","90","","2326.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-methoxyphenyl)bezothiazole","","- C22.4 H17.6 N1.6 O1.6 S1.6 -","- C22.4 H17.6 N1.6 O1.6 S1.6 -","- C112 H88 N8 O8 S8 -","5","1.25","","Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.","Formation of a nanorod shaped ionogel and its high catalytic activity for one-pot synthesis of benzothiazoles","New J. Chem.","2015","39","7","5116","","10.1039/C5NJ00454C","","","0.71073","MoKα","","0.2778","0.1935","","","0.4242","0.4848","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054893","6.4256","0.0002","12.2609","0.0004","13.0947","0.0005","94.561","0.002","101.729","0.002","94.97","0.002","1001.31","0.06","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H16 Br N2 O7 Re -","- C19 H16 Br N2 O7 Re -","- C38 H32 Br2 N4 O14 Re2 -","2","1","","Carreño, Alexander; Gacitua, Manuel; Schott, Eduardo; Zarate, Ximena; Manriquez, Juan Manuel; Preite, Marcelo; Ladeira, Sonia; Castel, Annie; Pizarro, Nancy; Vega, Andrés; Chavez, Ivonne; Arratia-Perez, Ramiro","Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(i) core","New J. Chem.","2015","39","7","5725","","10.1039/C5NJ00772K","","x-ray","0.71073","MoKα","","0.0347","0.0326","","","0.0786","0.0795","","","","","","1.196","","","","has coordinates,has disorder","143728","2020-10-21","18:00:00",""
"7054894","7.2519","0.0003","11.3182","0.0005","13.2908","0.0007","91.507","0.002","98.145","0.003","94.768","0.002","1075.35","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(3-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide","","- C25 H21 N3 O3 S -","- C25 H21 N3 O3 S -","- C50 H42 N6 O6 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0453","0.0362","","","0.0969","0.1052","","","","","","1.023","","","","has coordinates","153257","2020-10-21","18:00:00",""
"7054895","13.2436","0.0006","18.3753","0.001","19.6353","0.0011","90","","102.698","0.002","90","","4661.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-N-(2,4-dichlorophenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C52 H46 N6 O9 S2 -","- C52 H46 N6 O9 S2 -","- C208 H184 N24 O36 S8 -","4","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0767","0.0436","","","0.1013","0.12","","","","","","1.015","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054896","16.0381","0.0011","9.7005","0.0007","15.3686","0.0009","90","","108.349","0.002","90","","2269.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E)-N-(2,4-dichlorophenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide","","- C24 H17 Cl2 N3 O3 S -","- C24 H17 Cl2 N3 O3 S -","- C96 H68 Cl8 N12 O12 S4 -","4","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0618","0.0394","","","0.0951","0.1076","","","","","","1.023","","","","has coordinates","153257","2020-10-21","18:00:00",""
"7054897","9.6658","0.0012","13.5399","0.0017","11.4516","0.0013","90","","98.777","0.012","90","","1481.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 Ni O10 -","- C28 H36 N4 Ni O10 -","- C56 H72 N8 Ni2 O20 -","2","1","","Wojciechowska, Agnieszka; Janczak, Jan; Staszak, Zbigniew; Duczmal, Marek; Zierkiewicz, Wiktor; Tokar, Jadwiga; Ozarowski, Andrew","Structural, spectroscopic, magnetic behavior and DFT investigations ofl-tyrosinato nickel(ii) coordination polymer","New J. Chem.","2015","39","9","6813","","10.1039/C5NJ00972C","","","0.71073","MoKα","","0.2051","0.0854","","","0.073","0.0944","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054898","12.7123","0.001","20.3964","0.0015","24.7167","0.0019","90","","90","","90","","6408.7","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 Th -","- C28 H48 Si4 Th -","- C224 H384 Si32 Th8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0605","0.0372","","","0.074","0.0835","","","","","","1.022","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054899","12.6598","0.0012","20.3542","0.0018","24.645","0.002","90","","90","","90","","6350.5","1","473","2","473","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 U -","- C28 H48 Si4 U -","- C224 H384 Si32 U8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0362","0.0238","","","0.065","0.0838","","","","","","1.17","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054900","20.999","0.0012","25.1674","0.0015","17.8458","0.001","90","","114.316","0.001","90","","8594.7","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Si6 Th -","- C34 H64 Si6 Th -","- C272 H512 Si48 Th8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0462","0.0301","","","0.0601","0.0675","","","","","","1.035","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054901","23.381","0.003","21.17","0.003","18.125","0.002","90","","107.923","0.002","90","","8536.1","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H128 Si12 U2 -","- C68 H128 Si12 U2 -","- C272 H512 Si48 U8 -","4","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0856","0.0421","","","0.0858","0.1127","","","","","","1.128","","","","has coordinates,has disorder","162127","2020-10-21","18:00:00",""
"7054902","11.358","0.002","11.657","0.002","19.603","0.004","87.12","0.03","82.38","0.03","77.39","0.03","2509.9","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Ho Li O4 Si4 -","- C44 H80 Ho Li O4 Si4 -","- C88 H160 Ho2 Li2 O8 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0735","0.0491","","","0.0805","0.0859","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054903","11.358","0.002","11.657","0.002","19.603","0.004","87.12","0.03","82.38","0.03","77.39","0.03","2509.9","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Li O4 Si4 Tm -","- C44 H80 Li O4 Si4 Tm -","- C88 H160 Li2 O8 Si8 Tm2 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0408","0.039","","","0.1003","0.1015","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054904","11.557","0.002","12.262","0.003","18.34","0.004","98.83","0.03","102.56","0.03","98.57","0.03","2461.5","1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 La Li O6 Si4 -","- C40 H78 La Li O6 Si4 -","- C80 H156 La2 Li2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0467","0.0381","","","0.0917","0.0944","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054905","11.532","0.002","12.286","0.003","18.388","0.004","98.82","0.03","102.49","0.03","99.04","0.03","2464.1","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Pr Si4 -","- C40 H78 Li O6 Pr Si4 -","- C80 H156 Li2 O12 Pr2 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0304","0.0267","","","0.0648","0.0662","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054906","11.428","0.002","12.216","0.002","18.406","0.004","98.84","0.03","102.36","0.03","99.44","0.03","2428","0.9","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Gd Li O6 Si4 -","- C40 H78 Gd Li O6 Si4 -","- C80 H156 Gd2 Li2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0865","0.0883","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054907","11.445","0.002","12.219","0.002","18.477","0.004","99.13","0.03","102.2","0.03","99.68","0.03","2438.5","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Si4 Y -","- C40 H78 Li O6 Si4 Y -","- C80 H156 Li2 O12 Si8 Y2 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0697","0.0467","","","0.0949","0.1018","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054908","11.471","0.002","12.051","0.002","18.459","0.004","99.79","0.03","101.72","0.03","100.05","0.03","2403.7","0.9","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li Lu O6 Si4 -","- C40 H78 Li Lu O6 Si4 -","- C80 H156 Li2 Lu2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0597","0.0557","","","0.1447","0.1473","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054909","12.111","0.0004","7.1701","0.0003","13.5948","0.0005","90","","98.151","0.003","90","","1168.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Ni O4 S4 -","- C22 H22 Ni O4 S4 -","- C44 H44 Ni2 O8 S8 -","2","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.045","0.0343","","","0.0729","0.0781","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054910","12.2291","0.0009","4.016","0.0004","23.0003","0.0015","75.3","0.007","84.316","0.006","69.691","0.008","1024.62","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F2 Ni O2 S4 -","- C20 H16 F2 Ni O2 S4 -","- C40 H32 F4 Ni2 O4 S8 -","2","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0904","0.0545","","","0.1001","0.1191","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054911","24.946","0.004","5.8062","0.001","17.003","0.003","90","","91.8","0.013","90","","2461.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ni O2 S4 -","- C28 H22 Ni O2 S4 -","- C112 H88 Ni4 O8 S16 -","4","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.1046","0.0664","","","0.1555","0.178","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054912","17.4781","0.0005","17.4781","0.0005","15.3714","0.0004","90","","90","","90","","4695.7","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H22 O4 Pd S4 -","- C22 H22 O4 Pd S4 -","- C176 H176 O32 Pd8 S32 -","8","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0526","0.0327","","","0.075","0.0811","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054913","13.3438","0.0005","16.6915","0.0007","11.665","0.0005","90","","106.87","0.004","90","","2486.31","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 Pt S4 -","- C28 H22 O2 Pt S4 -","- C112 H88 O8 Pt4 S16 -","4","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0839","0.0498","","","0.0819","0.0942","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054914","9.3992","0.0008","16.827","0.0011","10.9101","0.0009","90","","112.042","0.01","90","","1599.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-(4-chlorophenyl)-6,6,8,8-tetrahydro-7, 7-dimethyl-5-oxo-4H-chromene-3-carbonitrile","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Gupta, Manjulla; Gupta, Monika; Rajnikant, Rajnikant; Gupta, Vivek K.","Salicyldimine-based Schiff's complex of copper(ii) as an efficient catalyst for the synthesis of nitrogen and oxygen heterocycles","New J. Chem.","2015","39","5","3578","","10.1039/C4NJ02391A","","","0.71073","MoKα","","0.0794","0.0472","","","0.1039","0.1209","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054915","7.2856","0.0005","18.1056","0.0011","27.2497","0.0014","90","","90","","90","","3594.5","0.4","171.2","","171.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-1-(4-(dimethylamino)phenyl)-2-(phenanthridin-6-yl)ethenol difluoroboron","","- C23 H19 B F2 N2 O -","- C23 H19 B F2 N2 O -","- C184 H152 B8 F16 N16 O8 -","8","1","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0633","0.0414","","","0.0935","0.1039","","","","","","1.029","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7054916","30.2538","0.0015","7.7757","0.0004","13.4669","0.0008","90","","90","","90","","3168","0.3","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(Z)-2-(phenanthridin-6-yl)-1-phenylethenol difluoroboron","","- C21 H14 B F2 N O -","- C21 H14 B F2 N O -","- C168 H112 B8 F16 N8 O8 -","8","2","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0525","0.0372","","","0.0771","0.0848","","","","","","1.059","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7054919","5.8652","0.0005","9.6315","0.0008","34.423","0.002","90","","94.403","0.007","90","","1938.8","0.3","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.1074","0.0739","","0.0518","0.0467","0.0467","","","","","","1.1624","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054920","9.1728","0.0005","13.3311","0.0005","13.1709","0.0006","90","","107.107","0.005","90","","1539.33","0.13","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0719","0.0629","","0.0609","0.0599","0.0599","","","","","","0.9423","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054921","4.6306","0.0008","8.8802","0.0017","23.893","0.003","95.744","0.013","91.859","0.012","101.739","0.015","955.7","0.3","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.2757","0.0836","","0.1788","0.0897","0.0897","","","","","","1.0036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054922","9.6623","0.0003","13.1399","0.0004","13.4402","0.0004","96.42","0.003","103.728","0.003","92.257","0.003","1643.4","0.09","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","2","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0928","0.0678","","0.0752","0.0662","0.0662","","","","","","1.0757","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054923","5.0416","0.00018","13.6467","0.0005","31.0182","0.0011","90","","94.55","0.003","90","","2127.36","0.13","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C100 H108 N4 O24 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0691","0.052","","0.062","0.0549","0.0549","","","","","","1.1293","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7054924","46.312","0.003","46.312","0.003","5.6266","0.0005","90","","90","","120","","10451.1","1.3","175","","175","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C29.166 H31.25 N1.08 -","- C29.1667 H31 N1.08333 -","- C525 H558 N19.5 -","18","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.2244","0.0713","","0.0893","0.0424","0.0424","","","","","","1.1478","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054925","8.2148","0.0003","9.5771","0.0003","12.8008","0.0005","73.643","0.003","73.317","0.003","89.653","0.003","922.58","0.06","175","","175","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H23 N -","- C25 H23 N -","- C50 H46 N2 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0941","0.063","","0.0737","0.0682","0.0682","","","","","","1.0521","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054926","19.8394","0.0007","8.7672","0.0003","13.8699","0.0006","90","","101.793","0.003","90","","2361.55","0.16","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.1132","0.0714","","0.077","0.06","0.06","","","","","","1.1188","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054927","7.66","0.0006","8.1559","0.0006","20.1223","0.0013","91.773","0.005","94.378","0.006","112.4","0.007","1156.42","0.16","2175","","175","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H31 N -","- C31 H31 N -","- C62 H62 N2 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0974","0.0617","","0.0817","0.063","0.063","","","","","","1.1063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054928","20.21","0.004","4.7596","0.0011","20.15","0.003","90","","90.938","0.014","90","","1938","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","1.54184","CuKα","","0.1535","0.0918","","0.1505","0.0952","0.0952","","","","","","1.0365","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054929","8.4814","0.0003","11.4048","0.0004","11.4291","0.0004","96.622","0.003","99.334","0.003","104.274","0.003","1043.17","0.07","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C44 H52 Cl2 Ir2 N4 O2 -","2","1","","Iglesias, Diego; Sabater, Sara; Azua, Arturo; Mata, Jose A.","Catalytic applications of magnetic nanoparticles functionalized using iridium N-heterocyclic carbene complexes","New J. Chem.","2015","39","8","6437","","10.1039/C5NJ00803D","","","1.5418","CuKα","","0.0289","0.0259","","","0.0634","0.0651","","","","","","1.057","","","","has coordinates","153245","2020-10-21","18:00:00",""
"7054930","7.315","0.004","7.088","0.004","20.776","0.013","90","","90.069","0.018","90","","1077.2","1.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C40 H44 N8 O12 S4 -","2","0.5","","Calahorro, Antonio J.; Fernández, Belén; García-Gallarín, Celeste; Melguizo, Manuel; Fairen-Jimenez, David; Zaragoza, Guillermo; Salinas-Castillo, Alfonso; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Towards a potential 4,4′-(1,2,4,5-tetrazine-3,6-diyl) dibenzoic spacer to construct metal‒organic frameworks","New J. Chem.","2015","39","8","6453","","10.1039/C5NJ00524H","","x-ray","0.7107","MoKα","","0.0866","0.0602","","","0.1379","0.1532","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054931","5.97","0.001","6.738","0.0012","34.5","0.006","90","","94.68","0.005","90","","1383.2","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H9 K N4 O4 -","- C16 H9 K N4 O4 -","- C64 H36 K4 N16 O16 -","4","0.5","","Calahorro, Antonio J.; Fernández, Belén; García-Gallarín, Celeste; Melguizo, Manuel; Fairen-Jimenez, David; Zaragoza, Guillermo; Salinas-Castillo, Alfonso; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Towards a potential 4,4′-(1,2,4,5-tetrazine-3,6-diyl) dibenzoic spacer to construct metal‒organic frameworks","New J. Chem.","2015","39","8","6453","","10.1039/C5NJ00524H","","x-ray","1.54178","CuKα","","0.0474","0.0413","","","0.0972","0.1006","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054932","10.225","0.005","13.53","0.006","15.503","0.008","90","","102.795","0.009","90","","2091.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Co N5 O4 -","- C22 H19 Co N5 O4 -","- C88 H76 Co4 N20 O16 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0853","0.054","","","0.1043","0.1205","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054933","6.63","0.004","10.167","0.005","12.475","0.007","109.11","0.03","103.7","0.02","100.43","0.03","740.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Co N3 O5 -","- C15 H14 Co N3 O5 -","- C30 H28 Co2 N6 O10 -","2","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0487","0.0372","","","0.082","0.0878","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054934","11.695","0.003","12.743","0.003","13.731","0.003","79.51","0.004","82.465","0.006","84.529","0.005","1989.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N10 O8 -","- C44 H38 Mn2 N10 O8 -","- C88 H76 Mn4 N20 O16 -","2","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0606","0.0522","","","0.1838","0.1925","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054935","9.888","0.006","19.869","0.012","15.089","0.01","90","","101.072","0.012","90","","2909","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Mn N6 O7 -","- C27 H34 Mn N6 O7 -","- C108 H136 Mn4 N24 O28 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.1126","0.0691","","","0.1546","0.1784","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054936","12.8113","0.001","7.8747","0.0006","15.8919","0.0017","90","","90.871","0.008","90","","1603.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N3 O5 -","- C16 H16 Co N3 O5 -","- C64 H64 Co4 N12 O20 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0362","0.0322","","","0.0845","0.088","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054937","10.464","0.0019","11.5072","0.0012","16.689","0.002","90","","102.865","0.008","90","","1959.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Mn N4 O4 -","- C21 H17 Mn N4 O4 -","- C84 H68 Mn4 N16 O16 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0472","0.0393","","","0.0924","0.0973","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054938","8.0971","0.0001","12.4447","0.0002","13.3768","0.0003","87.181","0.002","80.232","0.001","88.15","0.001","1326.39","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","2","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.051","0.032","","","0.0834","0.0867","","","","","","1.004","","","","has coordinates","139390","2020-10-21","18:00:00",""
"7054939","8.4275","0.0002","16.8324","0.0004","11.6886","0.0002","90","","97.869","0.002","90","","1642.47","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 S2 -","- C17 H16 N2 O2 S2 -","- C68 H64 N8 O8 S8 -","4","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.0952","0.0394","","","0.0794","0.0854","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054940","29.3586","0.0016","5.6119","0.0002","24.116","0.0015","90","","122.985","0.008","90","","3332.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N2 O2 S2 -","- C17 H16 N2 O2 S2 -","- C136 H128 N16 O16 S16 -","8","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.1011","0.0444","","","0.0866","0.0915","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054941","8.3288","0.0002","11.2945","0.0002","17.1609","0.0004","90","","100.643","0.002","90","","1586.55","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F N2 O2 S2 -","- C16 H13 F N2 O2 S2 -","- C64 H52 F4 N8 O8 S8 -","4","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.0992","0.0612","","","0.1231","0.1402","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054942","11.226","0.002","10.807","0.002","14.909","0.003","90","","110.24","0.03","90","","1697.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O4 S2 -","- C16 H13 N3 O4.088 S2 -","- C64 H52 N12 O16.352 S8 -","4","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.0572","0.046","","","0.1073","0.1126","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054943","8.6156","0.0002","20.584","0.0004","9.6518","0.0002","90","","101.108","0.002","90","","1679.62","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S2 -","- C17 H16 N2 O3 S2 -","- C68 H64 N8 O12 S8 -","4","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.06","0.0342","","","0.0756","0.079","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054944","28.3814","0.0008","6.2777","0.0001","21.502","0.0007","90","","117.043","0.004","90","","3412.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 I N2 O2 S2 -","- C16 H13 I N2 O2 S2 -","- C128 H104 I8 N16 O16 S16 -","8","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.0449","0.0316","","","0.0746","0.0815","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054945","11.0502","0.0003","11.554","0.0004","13.7697","0.0004","66.109","0.003","84.184","0.002","77.048","0.002","1566.4","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O2 S2 -","- C16 H14 N2 O2 S2 -","- C64 H56 N8 O8 S8 -","4","2","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","0.0783","0.0397","","","0.0798","0.0841","","","","","","1.007","","","","has coordinates","139390","2020-10-21","18:00:00",""
"7054946","7.9295","0.0016","11.306","0.002","14.113","0.003","90","","99.94","0.03","90","","1246.3","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulphonly compound","","","- C11 H12 N2 O2 S2 -","- C11 H12 N2 O2 S2 -","- C44 H48 N8 O8 S8 -","4","1","","Schneider, Thomas H.; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon","Vinyl sulfone building blocks in covalently reversible reactions with thiols","New J. Chem.","2015","","","","","10.1039/C5NJ00368G","","","0.71073","MoKα","","","0.026495","","","","0.020287","0.027655","","","","","1.707","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054947","13.7002","0.0006","13.9301","0.0008","15.2548","0.0005","108.998","0.004","106.363","0.004","97.835","0.004","2556.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Sm2 -","- C88 H148 N6 O9 Si4 Sm2 -","- C88 H148 N6 O9 Si4 Sm2 -","1","0.5","","Cheng, Hao; Xiao, Yang; Lu, Chengrong; Zhao, Bei; Wang, Yaorong; Yao, Yingming","Synthesis and characterization of bis(amidate) rare-earth metal amides and their application in catalytic addition of amines to carbodiimides","New J. Chem.","2015","39","10","7667","","10.1039/C5NJ00506J","","","0.71073","MoKα","","0.0432","0.0349","","","0.0979","0.1012","","","","","","1.128","","","","has coordinates,has disorder","162123","2020-10-21","18:00:00",""
"7054948","13.7","0.016","14","0.03","15.31","0.02","109.37","0.04","105.895","0.008","98.64","0.02","2569","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Yb2 -","- C88 H148 N6 O9 Si4 Yb2 -","- C88 H148 N6 O9 Si4 Yb2 -","1","0.5","","Cheng, Hao; Xiao, Yang; Lu, Chengrong; Zhao, Bei; Wang, Yaorong; Yao, Yingming","Synthesis and characterization of bis(amidate) rare-earth metal amides and their application in catalytic addition of amines to carbodiimides","New J. Chem.","2015","39","10","7667","","10.1039/C5NJ00506J","","","0.71075","MoKα","","0.0601","0.0492","","","0.1178","0.1272","","","","","","1.085","","","","has coordinates,has disorder","162123","2020-10-21","18:00:00",""
"7054949","6.9927","0.0004","8.0857","0.0005","14.201","0.0009","101.016","0.001","95.091","0.001","101.324","0.001","766.12","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Ca N O9 P2 -","- C10 H15 Ca N O9 P2 -","- C20 H30 Ca2 N2 O18 P4 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71073","MoKα","","0.0378","0.0325","","","0.0847","0.0889","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054950","6.0359","0.0006","8.0803","0.0008","16.5511","0.0015","93.878","0.002","95.273","0.001","102.285","0.002","782.25","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H17 N O10 P2 Sr -","- C10 H17 N O10 P2 Sr -","- C20 H34 N2 O20 P4 Sr2 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71073","MoKα","","0.0503","0.0379","","","0.0874","0.0929","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054951","5.4566","0.0007","8.6781","0.0012","16.081","0.002","92.8","0.002","92.173","0.002","105.253","0.002","732.76","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Ba N O9 P2 -","- C10 H15 Ba N O9 P2 -","- C20 H30 Ba2 N2 O18 P4 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71","MoKα","","0.0595","0.0529","","","0.1508","0.1557","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054952","15.0078","0.0008","15.5458","0.0008","18.4958","0.001","99.5345","0.0015","101.192","0.0016","113.02","0.0014","3754.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H108 N12 O6 -","- C74 H107 N12 O6 -","- C148 H214 N24 O12 -","2","1","","Alavijeh, Nahid S.; Zadmard, Reza; Ramezanpour, Sorour; Balalaie, Saeed; Alavijeh, Mohammad S.; Rominger, Frank","Efficient synthesis of lower rim α-hydrazino tetrazolocalix[4]arenes via an Ugi-azide multicomponent reaction","New J. Chem.","2015","39","8","6578","","10.1039/C5NJ00845J","","","0.71073","MoKα","","0.1261","0.0877","","","0.2548","0.2872","","","","","","1.063","","","","has coordinates,has disorder","153252","2020-10-21","18:00:00",""
"7054953","8.3325","0.0002","10.9016","0.0002","12.7875","0.0003","102.314","0.001","94.699","0.001","91.958","0.001","1129.46","0.04","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 Br Ni O2 P2 -","- C19 H33 Br Ni O2 P2 -","- C38 H66 Br2 Ni2 O4 P4 -","2","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.034","0.032","","","0.0854","0.0869","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054954","8.4032","0.0003","16.9796","0.0007","21.371","0.0008","90","","105.376","0.002","90","","2940.1","0.2","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ni O5 P2 S -","- C26 H40 Ni O5 P2 S -","- C104 H160 Ni4 O20 P8 S4 -","4","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.0318","0.03","","","0.0835","0.0846","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054955","8.0422","0.0008","16.7136","0.0017","17.4731","0.0017","90.793","0.004","90.658","0.003","97.963","0.004","2325.5","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Ni O2 P2 -","- C22 H36 Ni O2 P2 -","- C88 H144 Ni4 O8 P8 -","4","2","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","x-ray","1.54178","CuKα","","0.0552","0.0543","","","0.144","0.145","","","","","","1.057","","","","has coordinates","153244","2020-10-21","18:00:00",""
"7054956","19.7665","0.0004","17.7155","0.0004","23.8071","0.0006","90","","90","","90","","8336.6","0.3","150","2","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H56 B N Ni O2 P2 -","- C45 H56 B N Ni O2 P2 -","- C360 H448 B8 N8 Ni8 O16 P16 -","8","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.038","0.0371","","","0.0979","0.0985","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054957","8.3833","0.0002","10.8596","0.0002","12.7379","0.0003","102.681","0.001","94.204","0.001","92.443","0.001","1126.26","0.04","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Ni O2 P2 -","- C20 H36 Ni O2 P2 -","- C40 H72 Ni2 O4 P4 -","2","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.0412","0.0407","","","0.1124","0.113","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054958","37.191","0.005","10.591","0.004","25.678","0.003","90","","133.522","0.012","90","","7334","3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 N7 S Sc Si4 -","- C26.002 H48.0057 N7 S Sc Si4.001 -","- C208.016 H384.046 N56 S8 Sc8 Si32.008 -","8","1","","Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José A.; Márquez-Segovia, Isabel; Alonso-Moreno, Carlos; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","Synthesis and structural characterization of amido heteroscorpionate rare-earth metal complexes and hydroamination of aminoalkenes","New J. Chem.","2015","39","10","7672","","10.1039/C5NJ00930H","","","0.71073","MoKα","","0.2141","0.0621","","","0.1071","0.1492","","","","","","0.871","","","","has coordinates,has disorder","162042","2020-10-21","18:00:00",""
"7054959","7.4044","0.0004","13.0468","0.0006","21.5066","0.0011","90","","90","","90","","2077.62","0.18","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methylgallium betadiketonate","","- C23 H25 Ga N2 O2 -","- C23 H25 Ga N2 O2 -","- C92 H100 Ga4 N8 O8 -","4","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","0.71073","MoKα","","0.0364","0.0327","","","0.0695","0.0713","","","","","","1.012","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054960","11.3771","0.0003","11.4009","0.0003","14.2678","0.0004","90","","95.242","0.003","90","","1842.92","0.09","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloro gallium bis(2-N-isopropylaminopentan-4-one)","","- C16 H28 Cl Ga N2 O2 -","- C16 H28 Cl Ga N2 O2 -","- C64 H112 Cl4 Ga4 N8 O8 -","4","0.5","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","0.71073","MoKα","","0.0346","0.0298","","","0.0703","0.0734","","","","","","1.065","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054961","14.0647","0.0004","14.4468","0.0004","15.8435","0.0005","90","","90","","90","","3219.24","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aluminium isopropoxide betadiketonate","","- C15 H25 Al N2 O3 -","- C15 H25 Al N2 O3 -","- C120 H200 Al8 N16 O24 -","8","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","1.54184","CuKα","","0.0568","0.0391","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054962","10.304","0.002","12.582","0.003","17.04","0.003","90","","98.6","0.03","90","","2184.3","0.8","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 O9 S2 Zn2 -","- C32 H22 N4 O9 S2 Zn2 -","- C64 H44 N8 O18 S4 Zn4 -","2","0.5","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0571","0.0482","","","0.1533","0.1602","","","","","","1.085","","","","has coordinates,has disorder","155210","2020-10-21","18:00:00",""
"7054963","13.7313","0.0019","10.4349","0.0014","18.476","0.0019","90","","130.704","0.007","90","","2006.9","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C42 H30 N6 O9 S2 Zn2 -","- C42 H30 N6 O9 S2 Zn2 -","- C84 H60 N12 O18 S4 Zn4 -","2","0.5","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0799","0.0702","","","0.1795","0.1874","","","","","","1.166","","","","has coordinates,has disorder","155210","2020-10-21","18:00:00",""
"7054964","20.434","0.004","9.921","0.002","14.065","0.003","90","","133.25","0.03","90","","2076.8","1.3","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H14 N3 O4 S Zn -","- C22 H14 N3 O4 S Zn -","- C88 H56 N12 O16 S4 Zn4 -","4","1","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0691","0.0561","","","0.1207","0.1263","","","","","","1.096","","","","has coordinates","155210","2020-10-21","18:00:00",""
"7054965","10.3556","0.0008","10.9941","0.0008","22.5493","0.0017","96.459","0.002","90.358","0.002","98.278","0.002","2523.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N9 O11 S2 Zn2 -","- C53 H45 N9 O11 S2 Zn2 -","- C106 H90 N18 O22 S4 Zn4 -","2","1","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0525","0.0422","","","0.137","0.1769","","","","","","1.093","","","","has coordinates","155210","2020-10-21","18:00:00",""
"7054966","10.95","0.002","6.8081","0.0014","11.381","0.002","90","","95.76","0.03","90","","844.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Gd O8 -","- C4 H9 Gd O8 -","- C16 H36 Gd4 O32 -","4","1","","Liu, Sui-Jun; Zheng, Teng-Fei; Bao, Jun; Dong, Piao-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Xu, Jian; Bu, Xian-He","Two GdIIIcomplexes derived from dicarboxylate ligands as cryogenic magnetorefrigerants","New J. Chem.","2015","39","9","6970","","10.1039/C5NJ01229E","","","0.71073","MoKα","","0.0619","0.0561","","","0.1296","0.1329","","","","","","1.172","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054967","9.6867","0.0019","15.449","0.003","27.303","0.006","90","","90","","90","","4085.9","1.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H10 Gd O10 -","- C5 H10 Gd O10 -","- C80 H160 Gd16 O160 -","16","0.5","","Liu, Sui-Jun; Zheng, Teng-Fei; Bao, Jun; Dong, Piao-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Xu, Jian; Bu, Xian-He","Two GdIIIcomplexes derived from dicarboxylate ligands as cryogenic magnetorefrigerants","New J. Chem.","2015","39","9","6970","","10.1039/C5NJ01229E","","","0.71073","MoKα","","0.0285","0.0244","","","0.0432","0.0444","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054968","11.357","0.0007","11.8214","0.0007","19.0167","0.0012","90","","106.551","0.001","90","","2447.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H78 N4 O2 Sc2 Si4 -","- C36 H78 N4 O2 Sc2 Si4 -","- C72 H156 N8 O4 Sc4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0414","0.0361","","","0.0954","0.0997","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054969","25.04","0.003","10.6891","0.001","20.951","0.002","90","","103.216","0.002","90","","5459.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H86 N4 O2 Si4 Y2 -","- C40 H86 N4 O2 Si4 Y2 -","- C160 H344 N16 O8 Si16 Y8 -","4","1","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0946","0.0552","","","0.0926","0.1045","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054970","11.5419","0.0007","17.7218","0.001","14.0192","0.0008","90","","106.313","0.001","90","","2752.1","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H86 Lu2 N4 O2 Si4 -","- C40 H86 Lu2 N4 O2 Si4 -","- C80 H172 Lu4 N8 O4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0622","0.0592","","","0.1322","0.1331","","","","","","1.351","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054971","11.5311","0.0007","11.8604","0.0007","19.0343","0.0012","90","","106.182","0.001","90","","2500.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H78 Lu2 N4 O2 Si4 -","- C36 H78 Lu2 N4 O2 Si4 -","- C72 H156 Lu4 N8 O4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.018","0.0167","","","0.043","0.0438","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054972","13.3583","0.0013","14.9883","0.0015","14.5687","0.0015","90","","91.521","0.002","90","","2915.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H90 N4 O2 Si4 Y2 -","- C48 H90 N4 O2 Si4 Y2 -","- C96 H180 N8 O4 Si8 Y4 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.1091","0.0553","","","0.0908","0.1068","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054973","37.484","0.0011","7.0935","0.0002","6.2089","0.0002","90","","97.497","0.002","90","","1636.79","0.09","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H13 Br N3 O -","- C19 H13 Br N3 O -","- C76 H52 Br4 N12 O4 -","4","1","","İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer","Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes","New J. Chem.","2015","39","10","7786","","10.1039/C5NJ00571J","","","0.71073","MoKα","","0.0334","0.0289","","","0.0626","0.0643","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054974","34.9897","0.0007","8.3586","0.0002","11.8489","0.0003","90","","105.303","0.001","90","","3342.52","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Br2 N6 O2 Zn -","- C38 H26 Br2 N6 O2 Zn -","- C152 H104 Br8 N24 O8 Zn4 -","4","0.5","","İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer","Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes","New J. Chem.","2015","39","10","7786","","10.1039/C5NJ00571J","","","0.71073","MoKα","","0.0728","0.038","","","0.0825","0.0938","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054975","11.7172","0.0003","11.9846","0.0003","20.1196","0.0006","89.976","0.001","81.043","0.001","79.874","0.001","2746.33","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H51 Ag2 N15 O16 -","- C54 H51 Ag2 N15 O16 -","- C108 H102 Ag4 N30 O32 -","2","1","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0534","0.039","","","0.112","0.1248","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054976","7.0952","0.0001","12.8978","0.0003","15.0574","0.0004","110.583","0.001","102.763","0.001","97.589","0.001","1224.46","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Ag2 N14 O18 -","- C48 H44 Ag2 N14 O18 -","- C48 H44 Ag2 N14 O18 -","1","0.5","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0245","0.0223","","","0.0731","0.0781","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054977","13.373","0.0003","14.8244","0.0004","17.3282","0.0004","86.867","0.001","89.715","0.001","87.875","0.001","3427.75","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H56 Ag2 N14 O16 -","- C72 H56 Ag2 N14 O16 -","- C144 H112 Ag4 N28 O32 -","2","1","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0877","0.0487","","","0.1228","0.19","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054978","11.727","0.003","24.744","0.006","9.764","0.003","90","","98.883","0.005","90","","2799.3","1.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl Co N10 O11.5 -","- C20 H27 Cl Co N10 O11.5 -","- C80 H108 Cl4 Co4 N40 O46 -","4","1","","Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)","New J. Chem.","2015","39","9","7147","","10.1039/C5NJ01125F","","","0.71073","MoKα","","0.1222","0.0609","","","0.1231","0.1468","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054979","11.7712","0.0005","24.6598","0.0011","9.8817","0.0005","90","","99.559","0.002","90","","2828.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br Co N10 O11.5 -","- C20 H27 Br Co N10 O11.5 -","- C80 H108 Br4 Co4 N40 O46 -","4","1","","Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)","New J. Chem.","2015","39","9","7147","","10.1039/C5NJ01125F","","","0.71073","MoKα","","0.0761","0.0559","","","0.1277","0.137","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054980","14.3506","0.0015","11.464","0.0005","13.8015","0.0012","90","","118.252","0.012","90","","2000.1","0.4","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O6 S -","- C19 H18 N4 O6 S -","- C76 H72 N16 O24 S4 -","4","1","","Zhu, Xin; Lin, Qi; Lou, Jin-Chao; Lu, Tao-Tao; Zhang, You-Ming; Wei, Tai-Bao","Colorimetric probes designed to provide high sensitivity and single selectivity for CN−in aqueous solution","New J. Chem.","2015","39","9","7206","","10.1039/C5NJ01158B","","","0.71073","MoKα","","0.0978","0.0581","","","0.1227","0.1527","","","","","","1.032","","","","has coordinates","155219","2020-10-21","18:00:00",""
"7054984","8.798","0.007","14.565","0.011","15.456","0.012","78.075","0.016","74.593","0.015","79.602","0.016","1852","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Cl4 Cu N14 O14.5 -","- C56 H64 Cl4 Cu N14 O14 -","- C56 H64 Cl4 Cu N14 O14 -","1","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship","New J. Chem.","2015","39","9","6997","","10.1039/C5NJ00679A","","","0.71073","MoKα","","0.234","0.0845","","","0.1389","0.1601","","","","","","1.008","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054985","9.0593","0.0012","12.8399","0.0017","16.926","0.002","87.738","0.002","74.848","0.002","70.694","0.002","1791.1","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Cl4 Cu N6 O5 -","- C30 H38 Cl4 Cu N6 O5 -","- C60 H76 Cl8 Cu2 N12 O10 -","2","1","","Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship","New J. Chem.","2015","39","9","6997","","10.1039/C5NJ00679A","","","0.71073","MoKα","","0.0583","0.0538","","","0.151","0.1548","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054986","7.7181","0.0013","8.3117","0.0014","14.132","0.002","99.319","0.003","103.875","0.002","106.46","0.003","817.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6,8-dichloro-2-hydroxy-2-(pyridin-4-yl)-2H-chromene-3-carboxylate","","- C17 H13 Cl2 N O4 -","- C17 H13 Cl2 N O4 -","- C34 H26 Cl4 N2 O8 -","2","1","","Chandrasekhara Rao, Lenka; Satish Kumar, Nandigama; Jagadeesh Babu, Nanubolu; Mitaram Meshram, Harshadas","A simple and efficient one-pot synthesis of 2-alkyl/aryl/pyridyl substituted 2H-chromenes","New J. Chem.","2015","39","9","7164","","10.1039/C5NJ01377A","","","0.71073","MoKα","","0.0649","0.0554","","","0.1352","0.1415","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054987","7.3802","0.0011","8.307","0.0014","14.538","0.002","93.277","0.011","99.516","0.013","96.9","0.011","870","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C13 H21 F6 N4 O P -","- C13 H21 F6 N4 O P -","- C26 H42 F12 N8 O2 P2 -","2","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0496","0.0348","","","0.0918","0.0978","","","","","","1.046","","","","has coordinates","155217","2020-10-21","18:00:00",""
"7054988","9.8869","0.0004","8.5977","0.0003","21.7613","0.0009","90","","94.16","0.002","90","","1844.94","0.12","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 F6 N4 O P -","- C14 H23 F6 N4 O P -","- C56 H92 F24 N16 O4 P4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0492","0.0409","","","0.0913","0.097","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054989","8.1781","0.0002","15.6069","0.0003","28.0616","0.0006","90","","90","","90","","3581.64","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c 21 b","P -2bc -2c","29","","","","- C13 H21 Cl3 N4 Ni O -","- C13 H21 Cl3 N4 Ni O -","- C104 H168 Cl24 N32 Ni8 O8 -","8","2","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0208","0.0192","","","0.0462","0.0467","","","","","","1.034","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7054990","13.383","0.0006","7.7341","0.0003","17.1341","0.0007","90","","104.377","0.002","90","","1717.93","0.12","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cl3 N4 Ni O -","- C12 H19 Cl3 N4 Ni O -","- C48 H76 Cl12 N16 Ni4 O4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0388","0.0298","","","0.0703","0.0748","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054991","8.085","0.0001","17.5163","0.0003","13.4475","0.0002","90","","99.51","0.001","90","","1878.25","0.05","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl3 N4 Ni O -","- C14 H23 Cl3 N4 Ni O -","- C56 H92 Cl12 N16 Ni4 O4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0301","0.0258","","","0.061","0.0638","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054992","10.6396","0.0006","10.6396","0.0006","13.8377","0.0008","90","","90","","90","","1566.44","0.15","284","2","284","2","","","","","","","","3","I 41","I 4bw","80","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","0.5","","Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Huang, Po-Jui; Hou, Ruei-Jhih; Wang, Jeh-Jeng","A sequential one-pot approach to 1,2,4,5-tetrasubstituted-2H-imidazole synthesis from disubstituted alkynes","New J. Chem.","2015","39","9","6914","","10.1039/C5NJ00959F","","x-ray","0.71073","MoKα","","0.0763","0.0689","","","0.2026","0.2158","","","","","","1.066","","","","has coordinates","155223","2020-10-21","18:00:00",""
"7054993","13.309","0.0005","9.40511","0.00019","13.7393","0.0004","90","","114.964","0.004","90","","1559.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dioxido-aqua-(2-oxobenzaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)) chloride","","- C13 H12 Cl Mo N3 O5 -","- C13 H12 Cl Mo N3 O5 -","- C52 H48 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0516","0.0337","","","0.0673","0.073","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054994","7.48269","0.00013","25.6417","0.0005","8.45241","0.00014","90","","94.5659","0.0015","90","","1616.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dioxido-methanol-(2-oxobenzaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)) chloride","","- C14 H14 Cl Mo N3 O5 -","- C14 H14 Cl Mo N3 O5 -","- C56 H56 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0283","0.0255","","","0.0623","0.0635","","","","","","1.17","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054995","8.08986","0.00018","17.0004","0.0003","13.1601","0.0003","90","","105.619","0.002","90","","1743.09","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dioxido-aqua-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI) chloride","","- C17 H14 Cl Mo N3 O5 -","- C17 H14 Cl Mo N3 O5 -","- C68 H56 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0493","0.0357","","","0.0737","0.078","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054996","7.5013","0.0005","9.4538","0.0009","13.3244","0.0007","96.89","0.006","90.248","0.005","97.558","0.007","929.74","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI) chloride","","- C18 H16 Cl Mo N3 O5 -","- C18 H16 Cl Mo N3 O5 -","- C36 H32 Cl2 Mo2 N6 O10 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0525","0.0336","","","0.086","0.0921","","","","","","1.049","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7054997","15.958","0.0004","11.4043","0.0002","12.2325","0.0003","90","","109.225","0.003","90","","2102.04","0.09","295","","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dioxido-aqua-(diethylamino-salicylaldehyde4-phenylthiosemicarbazonato)molybdenum(VI)chloride hydrate","","- C17 H23 Cl Mo N4 O6 -","- C17 H23 Cl Mo N4 O6 -","- C68 H92 Cl4 Mo4 N16 O24 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0297","0.0248","","","0.0675","0.0709","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054998","9.2614","0.0004","9.9979","0.0006","11.8619","0.0005","82.827","0.004","72.104","0.004","89.482","0.004","1036.52","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-dioxido-(diethylamino-salicylaldehyde isonicotinylhydrazonato-O,N,O)methanol molybdenum(VI) chloride","","- C18 H23 Cl Mo N4 O5 -","- C18 H23.034 Cl Mo N4 O5 -","- C36 H46.068 Cl2 Mo2 N8 O10 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0577","0.0435","","","0.105","0.1101","","","","","","0.932","","","","has coordinates,has disorder","155212","2020-10-21","18:00:00",""
"7054999","25.2633","0.0003","25.2633","0.0003","11.2412","0.0002","90","","90","","90","","7174.52","0.18","295","2","295","2","","","","","","","","5","I 41/a","-I 4ad","88","","cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)","","- C18 H15 Mo N3 O5 -","- C18 H15 Mo N3 O5 -","- C288 H240 Mo16 N48 O80 -","16","","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.047","0.0343","","","0.0632","0.0668","","","","","","1.092","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7055000","6.59351","0.00014","13.0715","0.0003","20.2077","0.0004","90","","96.718","0.002","90","","1729.68","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-dioxido-(diethylamino-salicylaldehyde isonicotinylhydrazonato-O,O,N,N)molybdenum(VI)","","- C17 H18 Mo N4 O4 -","- C17 H18 Mo N4 O4 -","- C68 H72 Mo4 N16 O16 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0452","0.0321","","","0.0806","0.0851","","","","","","0.943","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7055001","11.4963","0.0012","16.0196","0.0017","20.763","0.002","78.971","0.004","85.227","0.005","81.247","0.004","3703.7","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H58.5 Cl10.5 N12 O4.5 -","- C68.9995 H58.4995 Cl10.4985 N12 O4.5 -","- C137.999 H116.999 Cl20.997 N24 O9 -","2","1","","Zaiter, Jamila; Achibat, Hanane; Amiri, Ouafa; Hafid, Abderrafia; Khouili, Mostafa; Rakib, El Mostapha; Neves, Cláudia M. B.; Neves, Maria Graça P. M. S.; Silva, Artur M. S.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.; Faustino, Maria Amparo F.","An easy synthetic access to new pyrazole spiro derivatives from 3-amino-1-phenyl-2-pyrazolin-5-one","New J. Chem.","2015","39","9","6738","","10.1039/C5NJ01306B","","","0.71073","MoKα","","0.1132","0.0812","","","0.2063","0.2254","","","","","","1.025","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055002","11.14","0.005","23.478","0.01","13.342","0.006","90","","92.663","0.005","90","","3486","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 I12 N6 O0 Pb3 -","- C48 H48 I12 N6 Pb3 -","- C96 H96 I24 N12 Pb6 -","2","0.5","","Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei","Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations","New J. Chem.","2015","39","9","7372","","10.1039/C5NJ01240F","","","0.71073","MoKα","","0.0571","0.0413","","","0.1022","0.1105","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055003","19.5741","0.0006","15.1598","0.0005","15.981","0.0007","90","","97.571","0.004","90","","4700.9","0.3","291","2","291.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H32 I9 N3 O Pb3 -","- C27 H30 I9 N3 O Pb3 -","- C108 H120 I36 N12 O4 Pb12 -","4","1","","Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei","Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations","New J. Chem.","2015","39","9","7372","","10.1039/C5NJ01240F","","","0.71073","MoKα","","0.0623","0.0427","","","0.0786","0.0876","","","","","","0.998","","","","has coordinates","155221","2020-10-21","18:00:00",""
"7055004","8.258","0.001","11.221","0.002","21.508","0.003","90","","97.19","0.002","90","","1977.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C84 H76 Cu4 N12 O20 -","4","1","","Das, Kuheli; Panda, Uttam; Datta, Amitabha; Roy, Suman; Mondal, Sudipa; Massera, Chiara; Askun, Tulin; Celikboyun, Pinar; Garribba, Eugenio; Sinha, Chittaranjan; Anand, Kushi; Akitsu, Takashiro; Kobayashi, Kana","An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study","New J. Chem.","2015","39","9","7309","","10.1039/C5NJ00789E","","","0.71069","MoKα","","0.0483","0.0358","","","0.0963","0.104","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055005","25.45","0.005","11.928","0.005","25.835","0.005","90","","116.777","0.005","90","","7002","4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C63 H73 Cd2.5 N9 Na O19 -","- C60 H65.95 Cd2.5 N8 Na O18 -","- C240 H263.8 Cd10 N32 Na4 O72 -","4","1","","Hu, Xiao-Li; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Cluster-based metal‒organic frameworks as sensitive and selective luminescent probes for sensing nitro explosives","New J. Chem.","2015","39","10","7858","","10.1039/C5NJ01237F","","","0.71069","MoKα","","0.224","0.0979","","","0.244","0.3129","","","","","","1.006","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055006","14.202","0.0011","15.9564","0.0014","16.102","0.0011","116.872","0.005","93.433","0.005","92.854","0.005","3236.9","0.5","123","1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 Ce2 O21 -","- C54 H60 Ce2 O21 -","- C108 H120 Ce4 O42 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1022","0.0676","","","0.1755","0.1891","","","","","","0.986","","","","has coordinates,has disorder","162018","2020-10-21","18:00:00",""
"7055007","24.425","0.005","5.3513","0.0011","22.945","0.005","90","","90","","90","","2999","1.1","123","1","123.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H31 Er O11 -","- C27 H31 Er O11 -","- C108 H124 Er4 O44 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1041","0.0627","","","0.1225","0.1337","","","","","","1.042","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055008","15.2502","0.0009","16.6406","0.001","25.6709","0.0014","89.014","0.002","78.289","0.002","64.668","0.003","5747.7","0.6","123","1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C109 H132 La4 O47 -","- C109 H132 La4 O47 -","- C218 H264 La8 O94 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1116","0.0814","","","0.1419","0.1571","","","","","","1.238","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055009","13.345","0.003","8.0505","0.0016","24.55","0.005","90","","96.45","0.03","90","","2620.8","1","123","1","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Lu O10 -","- C27 H29 Lu O10 -","- C108 H116 Lu4 O40 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1063","0.0714","","","0.1632","0.1857","","","","","","1.045","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055010","15.0063","0.0007","15.3267","0.0007","16.4093","0.0007","103.726","0.002","107.053","0.002","94.662","0.002","3458.6","0.3","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Ce2 Na O26 -","- C63 H61 Ce2 Na O26 -","- C126 H122 Ce4 Na2 O52 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1365","0.1257","","","0.3033","0.3247","","","","","","1.104","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055011","15.328","0.003","15.48","0.003","16.3","0.003","78.16","0.03","70.63","0.03","86.33","0.03","3571","1.4","123","1","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H83 Na Nd2 O27 -","- C67 H83 Na Nd2 O27 -","- C134 H166 Na2 Nd4 O54 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1318","0.0687","","","0.1616","0.1896","","","","","","1.049","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055012","8.443","0.002","10.304","0.002","12.134","0.002","69.409","0.01","81.907","0.01","77.454","0.01","962.2","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H27 N3 -","- C21 H27 N3 -","- C42 H54 N6 -","2","1","","Baishya, Ashim; Peddarao, Thota; Barman, Milan Kumar; Nembenna, Sharanappa","Catalyst free C‒N bond formation by the reaction of amines with diimides: Bulky guanidines","New J. Chem.","2015","","","","","10.1039/C5NJ01612F","","","0.71073","MoKα","","0.081","0.0587","","","0.164","0.1838","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055013","18.0078","0.0007","13.9272","0.0007","15.5355","0.0007","90","","113.869","0.004","90","","3563","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 N6 -","- C38 H46 N6 -","- C152 H184 N24 -","4","0.5","","Baishya, Ashim; Peddarao, Thota; Barman, Milan Kumar; Nembenna, Sharanappa","Catalyst free C‒N bond formation by the reaction of amines with diimides: Bulky guanidines","New J. Chem.","2015","","","","","10.1039/C5NJ01612F","","","0.71073","MoKα","","0.0885","0.0513","","","0.1291","0.1504","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055014","9.405","0.002","17.12","0.003","18.715","0.003","90","","102.705","0.01","90","","2939.6","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N4 -","- C30 H46 N4 -","- C120 H184 N16 -","4","1","","Baishya, Ashim; Peddarao, Thota; Barman, Milan Kumar; Nembenna, Sharanappa","Catalyst free C‒N bond formation by the reaction of amines with diimides: Bulky guanidines","New J. Chem.","2015","","","","","10.1039/C5NJ01612F","","","0.71073","MoKα","","0.0724","0.0549","","","0.1445","0.1691","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055015","19.2529","0.0002","20.832","0.0003","17.2971","0.0003","90","","90","","90","","6937.46","0.17","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 F24 O29 Ti4 Zn2 -","- C44 H56 F24 O29 Ti4 Zn2 -","- C176 H224 F96 O116 Ti16 Zn8 -","4","1","","Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Rameshkumar, Perumal; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad","Nitrite ion sensing properties of ZnTiO3‒TiO2composite thin films deposited from a zinc‒titanium molecular complex","New J. Chem.","2015","39","9","7442","","10.1039/C5NJ00850F","","","0.71073","MoKα","","0.0837","0.0702","","","0.1943","0.2085","","","","","","1.039","","","","has coordinates,has disorder","155218","2020-10-21","18:00:00",""
"7055016","6.6627","0.0004","9.345","0.0006","13.5348","0.0007","98.497","0.003","102.934","0.004","107.792","0.003","760.54","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","b(HTT08MR","3,7-bis[5-(5-hexylthiophen-2-yl)thienyl]-1,5,2,4,6,8-dithiatetrazocine","","- C15 H17 N2 S3 -","- C15 H17 N2 S3 -","- C30 H34 N4 S6 -","2","1","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.0424","0.0312","","","0.0792","0.0853","","","","","","1.019","","","","has coordinates","162136","2020-10-21","18:00:00",""
"7055017","5.6479","0.0006","28.28","0.003","6.4275","0.0007","90","","110.342","0.006","90","","962.59","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b(TT)8MR","3,7-bis([5-(thiophen-2-yl)thienyl])-1,5,2,4,6,8-dithiatetrazocine","","- C18 H10 N4 S6 -","- C18 H10 N4 S6 -","- C36 H20 N8 S12 -","2","0.5","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.1155","0.0809","","","0.1823","0.1987","","","","","","1.087","","","","has coordinates,has disorder","162136","2020-10-21","18:00:00",""
"7055018","11.837","0.004","5.482","0.002","18.312","0.006","90","","92.953","0.012","90","","1186.7","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b(4HT)8MR","3,7-bis(4-hexylthienyl)-1,5,2,4,6,8-dithiatetrazocine","","- C22 H30 N4 S4 -","- C22 H30 N4 S4 -","- C44 H60 N8 S8 -","2","0.5","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.1625","0.0746","","","0.158","0.1893","","","","","","1.01","","","","has coordinates","162136","2020-10-21","18:00:00",""
"7055019","8.6469","0.0007","34.562","0.003","11.4333","0.001","90","","109.165","0.005","90","","3227.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Cl Cu N3 O4 -","- C37 H34 Cl Cu N3 O4 -","- C148 H136 Cl4 Cu4 N12 O16 -","4","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.1407","0.0994","","","0.2307","0.2528","","","","","","1.104","","","","has coordinates","162108","2020-10-21","18:00:00",""
"7055020","8.59","0.005","10.579","0.005","18.094","0.005","83.522","0.005","84.936","0.005","69.681","0.005","1530","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C33.5 H30 Cl Cu N3 O5.5 -","- C33.5 H30 Cl Cu N3 O5.5 -","- C67 H60 Cl2 Cu2 N6 O11 -","2","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.0599","0.0406","","","0.0952","0.1053","","","","","","0.973","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055021","10.0809","0.0019","11.449","0.002","7.5369","0.0015","90","","100.493","0.003","90","","855.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Ag N4 -","- C2 H3 Ag N4 -","- C16 H24 Ag8 N32 -","8","1","","Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping","Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance","New J. Chem.","2015","39","10","7849","","10.1039/C5NJ01623A","","","0.71073","MoKα","","0.0359","0.0315","","","0.1065","0.1121","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055022","3.6019","0.0007","11.273","0.002","11.6","0.002","90","","93.389","0.003","90","","470.19","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H Ag N4 O2 -","- C2 H Ag N4 O2 -","- C8 H4 Ag4 N16 O8 -","4","1","","Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping","Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance","New J. Chem.","2015","39","10","7849","","10.1039/C5NJ01623A","","","0.71073","MoKα","","0.0294","0.0244","","","0.0556","0.058","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055023","11.6556","0.0009","14.2528","0.0015","13.4694","0.0012","90","","98.262","0.007","90","","2214.4","0.4","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H28 Au2 Cu N8 O3 -","- C13 H28 Au2 Cu N8 O3 -","- C52 H112 Au8 Cu4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0572","0.0497","","","0.1301","0.1351","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055024","10.895","0.0006","12.6494","0.0006","15.5745","0.0009","90","","101.857","0.005","90","","2100.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H26 Au2 N8 O3 Zn -","- C12 H26 Au2 N8 O3 Zn -","- C48 H104 Au8 N32 O12 Zn4 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0536","0.0363","","","0.082","0.0869","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055025","11.0302","0.0009","13.1045","0.0006","15.5492","0.0011","90","","101.28","0.006","90","","2204.1","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H24 Au2 Cd N8 O3 -","- C12 H24 Au2 Cd N8 O3 -","- C48 H96 Au8 Cd4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0509","0.0428","","","0.1031","0.1071","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055026","12.7243","0.001","10.1559","0.0008","7.678","0.0006","90","","95.932","0.0017","90","","986.89","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Se -","- C8 H12 Br2 Se -","- C32 H48 Br8 Se4 -","4","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.0317","0.026","","","0.0661","0.069","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055027","15.5132","0.0015","7.6193","0.0008","7.9082","0.0008","90","","90","","90","","934.75","0.16","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl2 Se -","- C8 H12 Cl2 Se -","- C32 H48 Cl8 Se4 -","4","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.0374","0.0273","","","0.0632","0.0664","","","","","","1.02","","","","has coordinates","162103","2020-10-21","18:00:00",""
"7055028","7.5401","0.0005","11.0902","0.0007","12.9721","0.0008","90","","90.385","0.0015","90","","1084.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl6 Se3 -","- C16 H24 Cl6 Se3 -","- C32 H48 Cl12 Se6 -","2","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.04","0.0317","","","0.0812","0.0858","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055029","11.9328","0.001","12.2111","0.001","18.6534","0.0016","90","","90","","90","","2718","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-1","","- C11 H10 Cl2 Cu N2 Se2 -","- C11 H10 Cl2 Cu N2 Se2 -","- C88 H80 Cl16 Cu8 N16 Se16 -","8","1","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0285","0.0203","","","0.0924","0.1039","","","","","","0.852","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055030","9.086","0.0002","9.1684","0.0002","10.5159","0.0003","70.96","0.001","88.276","0.001","77.37","0.001","807.25","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","compound-2","","- C22 H20 Cu4 I4 N4 Se4 -","- C22 H20 Cu4 I4 N4 Se4 -","- C22 H20 Cu4 I4 N4 Se4 -","1","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0243","0.0193","","","0.0475","0.0489","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055031","8.2538","0.001","8.7192","0.001","11.6817","0.0012","87.058","0.009","81.017","0.009","62.798","0.008","738.35","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","compound-3","","- C26 H28 Cl2 Cu N4 Se4 -","- C26 H28 Cl2 Cu N4 Se4 -","- C26 H28 Cl2 Cu N4 Se4 -","1","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0498","0.0357","","","0.106","0.118","","","","","","0.781","","","","has coordinates","162074","2020-10-21","18:00:00",""
"7055032","20.476","0.002","8.5749","0.0006","21.202","0.002","90","","115.735","0.008","90","","3353.4","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound-4","","- C13 H14 Cl2 Co N2 Se2 -","- C13 H14 Cl2 Co N2 Se2 -","- C104 H112 Cl16 Co8 N16 Se16 -","8","2","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.1577","0.0479","","","0.0512","0.0701","","","","","","0.717","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055033","9.791","0.001","4.442","0.001","20.883","0.003","90","","90.96","0.01","90","","908.1","0.3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","compound-5","","- C13 H14 Ag N3 O3 Se2 -","- C13 H14 Ag N3 O3 Se2 -","- C26 H28 Ag2 N6 O6 Se4 -","2","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0878","0.0572","","","0.1522","0.166","","","","","","0.947","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055034","10.2403","0.0003","11.4552","0.0003","14.8043","0.0004","90","","90","","90","","1736.61","0.08","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-6","","- C14 H16 Cl2 Cu N2 Se2 -","- C14 H16 Cl2 Cu N2 Se2 -","- C56 H64 Cl8 Cu4 N8 Se8 -","4","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0294","0.0217","","","0.0515","0.0557","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055035","13.127","0.0002","13.7157","0.0002","12.1763","0.0002","90","","103.203","0.002","90","","2134.35","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl Cu N3 O6 -","- C22 H24 Cl Cu N3 O6 -","- C88 H96 Cl4 Cu4 N12 O24 -","4","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.0351","0.0308","","","0.0809","0.0844","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055036","11.5021","0.0003","18.7307","0.0005","20.7277","0.0007","90","","95.504","0.001","90","","4445","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 Cl Cu N3 O6 -","- C19 H24 Cl Cu N3 O6 -","- C152 H192 Cl8 Cu8 N24 O48 -","8","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","0.71073","MoKα","","0.0504","0.0456","","","0.1319","0.1359","","","","","","1.048","","","","has coordinates","155214","2020-10-21","18:00:00",""
"7055037","13.9094","0.0003","18.2391","0.0004","20.6775","0.0006","90.039","0.002","91.901","0.002","111.884","0.002","4864.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 Cl2 Cu2 N6 O15 -","- C44 H62 Cl2 Cu2 N6 O15 -","- C176 H248 Cl8 Cu8 N24 O60 -","4","2","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.173","0.1565","","","0.3844","0.3908","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055038","19.0697","0.0004","10.6833","0.0002","18.9974","0.0003","90","","95.766","0.002","90","","3850.71","0.12","89","2","89","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl Cu N3 O6 -","- C18 H22 Cl Cu N3 O6 -","- C144 H176 Cl8 Cu8 N24 O48 -","8","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","0.71073","MoKα","","0.0404","0.0382","","","0.1218","0.1244","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055039","12.2844","0.0002","14.1806","0.0002","23.149","0.0003","90","","90","","90","","4032.56","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Cl2 Cu2 N6 O12 -","- C38 H48 Cl2 Cu2 N6 O12 -","- C152 H192 Cl8 Cu8 N24 O48 -","4","0.5","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.1021","0.0878","","","0.2612","0.2657","","","","","","1.355","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055040","54.957","0.002","9.4249","0.0005","23.8226","0.0008","90","","110.27","0.004","90","","11575.1","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 N4 O6 -","- C66 H88 N4 O6 -","- C528 H704 N32 O48 -","8","1","","Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk","Planar and distorted indigo as the core motif in novel chromophoric liquid crystals","New J. Chem.","2015","39","11","8291","","10.1039/C5NJ01594D","","","1.54184","CuKα","","0.0932","0.0569","","","0.122","0.1386","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055041","8.3342","0.0008","55.144","0.005","10.6926","0.001","90","","104.663","0.001","90","","4754.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 N2 O6 -","- C56 H70 N2 O6 -","- C224 H280 N8 O24 -","4","1","","Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk","Planar and distorted indigo as the core motif in novel chromophoric liquid crystals","New J. Chem.","2015","39","11","8291","","10.1039/C5NJ01594D","","","0.71073","MoKα","","0.104","0.0475","","","0.1043","0.132","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055042","16.6007","0.001","11.3683","0.001","20.5655","0.001","90","","120","","90","","3361.2","0.4","298","","298","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 N4 O3 -","- C37 H42 N4 O3 -","- C148 H168 N16 O12 -","4","1","","Girgis, Adel S.; Mabied, Ahmed F.; Stawinski, Jacek; Hegazy, Lamees; George, Riham F.; Farag, Hanaa; Shalaby, ElSayed M.; Farag, I. S. Ahmed","Synthesis and DFT studies of an antitumor active spiro-oxindole","New J. Chem.","2015","39","10","8017","","10.1039/C5NJ01109D","","","0.71073","MoKα","","0.2446","0.0476","","0.1288","0.0979","0.0979","","","","","","0.9671","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055043","11.347","0.003","11.36","0.003","16.303","0.007","99.15","0.005","93.557","0.005","118.858","0.003","1793.5","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Ce Fe I N2 O2 Si2 -","- C30 H54 Ce Fe I N2 O2 Si2 -","- C60 H108 Ce2 Fe2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0387","0.033","","","0.0763","0.079","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055044","14.879","0.004","13.738","0.004","15.468","0.004","90","","91.074","0.003","90","","3161.2","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 Fe2 I2 N4 O2 Pr2 Si4 -","- C52 H92 Fe2 I2 N4 O2 Pr2 Si4 -","- C104 H184 Fe4 I4 N8 O4 Pr4 Si8 -","2","0.5","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0299","0.0226","","","0.0493","0.052","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055045","11.253","0.0013","11.6706","0.0013","16.3205","0.0019","101.063","0.001","92.506","0.001","118.408","0.001","1827.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Sm -","- C30 H54 Fe I N2 O2 Si2 Sm -","- C60 H108 Fe2 I2 N4 O4 Si4 Sm2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0451","0.0371","","","0.0807","0.0854","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055046","11.13","0.004","11.608","0.005","16.122","0.009","101.564","0.006","91.881","0.006","118.404","0.004","1775","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Tb -","- C30 H54 Fe I N2 O2 Si2 Tb -","- C60 H108 Fe2 I2 N4 O4 Si4 Tb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0805","0.0589","","","0.1309","0.1467","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055047","11.14","0.003","11.605","0.003","16.073","0.007","101.474","0.005","92.374","0.005","118.292","0.003","1770.8","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Tm -","- C30 H54 Fe I N2 O2 Si2 Tm -","- C60 H108 Fe2 I2 N4 O4 Si4 Tm2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0757","0.0609","","","0.1296","0.1399","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055048","11.5979","0.0017","11.6945","0.0017","16.109","0.002","76.069","0.002","78.51","0.002","56.888","0.002","1770.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Yb -","- C30 H54 Fe I N2 O2 Si2 Yb -","- C60 H108 Fe2 I2 N4 O4 Si4 Yb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0513","0.042","","","0.0993","0.1074","","","","","","1.143","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055049","13.541","0.002","19.611","0.003","20.563","0.003","90","","90","","90","","5460.6","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H84 Fe2 K N4 Si4 Yb -","- C51 H84 Fe2 K N4 Si4 Yb -","- C204 H336 Fe8 K4 N16 Si16 Yb4 -","4","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0339","0.0298","","","0.0744","0.0761","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055050","10.605","0.004","11.35","0.004","16.204","0.006","100.677","0.004","94.486","0.004","114.277","0.004","1721","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Cl Fe N2 O2 Si2 Yb -","- C30 H54 Cl Fe N2 O2 Si2 Yb -","- C60 H108 Cl2 Fe2 N4 O4 Si4 Yb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0388","0.0347","","","0.0926","0.0945","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055051","12.0342","0.0003","17.4069","0.0004","9.4392","0.0002","90","","91.757","0.002","90","","1976.38","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang","The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone","New J. Chem.","2015","39","11","8874","","10.1039/C5NJ01072A","","","0.71073","MOKα","","0.096","0.0567","","","0.1507","0.1864","","","","","","1.032","","","","has coordinates","171311","2020-10-21","18:00:00",""
"7055052","12.1179","0.0007","17.3412","0.001","9.5281","0.0006","90","","91.21","0.004","90","","2001.8","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang","The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone","New J. Chem.","2015","39","11","8874","","10.1039/C5NJ01072A","","","0.7107","MoKα","","0.0905","0.0461","","","0.0944","0.1142","","","","","","0.981","","","","has coordinates","171311","2020-10-21","18:00:00",""
"7055053","10.3265","0.0019","17.115","0.003","17.194","0.003","90","","96.575","0.003","90","","3018.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Gd N7 Ni O15 -","- C22 H24 Gd N7 Ni O15 -","- C88 H96 Gd4 N28 Ni4 O60 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0326","0.0287","","","0.0736","0.0758","","","","","","1.074","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055054","10.309","0.003","17.095","0.005","17.232","0.005","90","","96.548","0.004","90","","3017","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N7 Ni O15 Tb -","- C22 H24 N7 Ni O15 Tb -","- C88 H96 N28 Ni4 O60 Tb4 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0245","0.0202","","","0.0495","0.0508","","","","","","1.104","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055055","21.577","0.003","9.4531","0.0012","15.866","0.002","90","","114.88","0.002","90","","2935.8","0.7","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H24 Dy N7 Ni O15 -","- C22 H24 Dy N7 Ni O15 -","- C88 H96 Dy4 N28 Ni4 O60 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.016","0.0153","","","0.0354","0.0357","","","","","","0.874","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055056","10.0281","0.0014","12.0551","0.0017","15.254","0.002","71.779","0.002","86.572","0.002","68.175","0.002","1622.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 N5 Ni O17 Tb -","- C23 H32 N5 Ni O17 Tb -","- C46 H64 N10 Ni2 O34 Tb2 -","2","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.035","0.0318","","","0.0891","0.0911","","","","","","1.023","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055057","10.0241","0.0017","12.042","0.002","15.27","0.003","71.869","0.002","86.592","0.003","68.157","0.002","1622.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Dy N5 Ni O17 -","- C23 H32 Dy N5 Ni O17 -","- C46 H64 Dy2 N10 Ni2 O34 -","2","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0428","0.0379","","","0.1062","0.1108","","","","","","0.904","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055058","9.9779","0.0011","11.5105","0.0012","13.4027","0.0014","91.472","0.006","107.929","0.006","109.296","0.006","1368.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 Br3 O5 -","- C30 H26 Br3 O5 -","- C60 H52 Br6 O10 -","2","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.3233","0.2921","","","0.6761","0.7025","","","","","","6.633","","","","has coordinates","171322","2020-10-21","18:00:00",""
"7055059","9.5848","0.0007","11.0031","0.0008","14.0353","0.0011","87.764","0.002","70.878","0.002","65.624","0.002","1265.88","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Br Cl N2 O3 -","- C30 H26 Br Cl N2 O3 -","- C60 H52 Br2 Cl2 N4 O6 -","2","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.0335","0.0331","","","0.0959","0.0965","","","","","","1.103","","","","has coordinates","171322","2020-10-21","18:00:00",""
"7055060","17.574","0.0017","8.964","0.0009","20.843","0.002","90","","106.682","0.004","90","","3145.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 O6 S2 -","- C35 H36 N2 O6 S2 -","- C140 H144 N8 O24 S8 -","4","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.0596","0.0545","","","0.1671","0.1727","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055061","35.8393","0.0017","10.627","0.0004","15.166","0.0007","90","","114.399","0.005","90","","5260.3","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C240 H192 F48 N16 O16 -","16","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0635","0.0417","","","0.0888","0.1008","","","","","","1.05","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055062","15.1633","0.0005","9.9603","0.0003","17.7768","0.0006","90","","97.269","0.002","90","","2663.27","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0659","0.049","","","0.1259","0.1356","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055063","9.6555","0.0007","13.742","0.0011","19.3339","0.0015","90","","90","","90","","2565.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.058","0.0398","","","0.0901","0.1028","","","","","","1.055","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055064","8.9803","0.0004","10.8526","0.0004","14.8181","0.0005","90","","92.763","0.003","90","","1442.49","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0434","0.0368","","","0.0933","0.0982","","","","","","1.043","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055065","9.0978","0.0007","22.1735","0.0015","7.9449","0.0005","90","","101.946","0.004","90","","1568.02","0.19","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0637","0.0482","","","0.1285","0.1388","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055066","8.3764","0.0005","23.2362","0.0017","7.9755","0.0006","90","","103.567","0.002","90","","1509","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0534","0.041","","","0.0993","0.1059","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055067","11.2958","0.0005","14.0246","0.0004","10.4868","0.0003","90","","115.258","0.004","90","","1502.48","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0499","0.0411","","","0.0993","0.1065","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055068","12.3185","0.001","7.9401","0.0005","15.4912","0.0012","90","","90.168","0.004","90","","1515.19","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.059","0.0384","","","0.0865","0.093","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055069","8.9977","0.0004","10.8088","0.0005","16.672","0.0009","105.291","0.002","98.901","0.002","102.688","0.002","1486.36","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0602","0.043","","","0.104","0.1143","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055070","10.7818","0.0007","10.2566","0.0006","14.5072","0.0009","90","","109.917","0.007","90","","1508.32","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3,3-diethoxy-1,2-diiodoprop-1-en-1-yl)benzene","","- C13 H16 I2 O2 -","- C13 H16 I2 O2 -","- C52 H64 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71069","MoKα","","0.0472","0.0307","","","0.0593","0.0656","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055071","11.3978","0.0004","7.2145","0.0002","18.1044","0.0006","90","","98.253","0.003","90","","1473.3","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(3,3-diethoxy-1,2-diiodoprop-1-en-1-yl)benzene","","- C13 H16 I2 O2 -","- C13 H16 I2 O2 -","- C52 H64 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71069","MoKα","","0.0294","0.0231","","","0.0531","0.0566","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055072","10.1365","0.0004","15.9425","0.0006","5.7295","0.0002","90","","94.279","0.004","90","","923.31","0.06","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-(1,2-diiodovinyl)benzene","","- C8 H6 I2 -","- C8 H6 I2 -","- C32 H24 I8 -","4","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0245","0.0176","","","0.0404","0.0415","","","","","","1.027","","","","has coordinates","171310","2020-10-21","18:00:00",""
"7055073","5.7078","0.0003","17.4128","0.0008","7.0077","0.0004","90","","110.984","0.006","90","","650.3","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-diiodo-1,2-diphenylethene","","- C14 H10 I2 -","- C14 H10 I2 -","- C28 H20 I4 -","2","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.021","0.0162","","","0.0368","0.0374","","","","","","1.053","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055074","8.6795","0.0004","7.5937","0.0002","8.552","0.0004","90","","108.798","0.005","90","","533.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-diiodofumarate","","- C6 H6 I2 O4 -","- C6 H6 I2 O4 -","- C12 H12 I4 O8 -","2","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0211","0.0174","","","0.042","0.0427","","","","","","0.969","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055075","23.9673","0.0005","23.9673","0.0005","7.5322","0.0003","90","","90","","90","","4326.7","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","(E)-2,3-diiodo-3-phenylprop-2-en-1-ol","","- C9 H8 I2 O -","- C9 H8 I2 O -","- C144 H128 I32 O16 -","16","","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0386","0.0225","","","0.0412","0.0432","","","","","","0.89","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055076","12.8366","0.0005","7.0467","0.0002","14.279","0.0006","90","","96.053","0.004","90","","1284.42","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-ethyl 2,3-diiodo-3-phenylacrylate","","- C11 H10 I2 O2 -","- C11 H10 I2 O2 -","- C44 H40 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0416","0.0232","","","0.0424","0.0449","","","","","","0.917","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055077","18.9368","0.0009","7.607","0.0003","22.9348","0.0012","90","","109.349","0.006","90","","3117.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-(1,2-diiodoprop-1-en-1-yl)benzene","","- C9 H8 I2 -","- C9 H8 I2 -","- C108 H96 I24 -","12","3","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0457","0.0282","","","0.0525","0.0552","","","","","","0.857","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055078","20.5998","0.0015","7.1799","0.0002","18.253","0.002","90","","120.835","0.011","90","","2318.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-methyl 2,3-diiodo-3-phenylacrylate","","- C10 H8 I2 O2 -","- C10 H8 I2 O2 -","- C80 H64 I16 O16 -","8","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0367","0.025","","","0.0531","0.0547","","","","","","0.94","","","","has coordinates","171310","2020-10-21","18:00:00",""
"7055080","6.1217","0.0011","24.779","0.005","12.246","0.002","90","","98.345","0.003","90","","1837.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O5 S -","- C20 H16 N4 O5 S -","- C80 H64 N16 O20 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L.","Saccharin salts of biologically active hydrazone derivatives","New J. Chem.","2015","39","11","8614","","10.1039/C5NJ01532D","","","0.71073","MoKα","","0.0794","0.0549","","","0.1114","0.1198","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055081","6.1904","0.0009","26.105","0.004","12.4015","0.0018","90","","100.464","0.002","90","","1970.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L.","Saccharin salts of biologically active hydrazone derivatives","New J. Chem.","2015","39","11","8614","","10.1039/C5NJ01532D","","","0.71073","MoKα","","0.085","0.0463","","","0.0974","0.1112","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055082","18.766","0.003","18.766","0.003","24.688","0.002","90","","90","","120","","7529.4","1.8","120","0.1","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H30 Cl6 N6 O11 Pd3 -","- C42 H30 Cl6 N6 O11 Pd3 -","- C252 H180 Cl36 N36 O66 Pd18 -","6","0.333333","","Karami, Kazem; Lighvan, Zohreh Mehri; Barzani, Somayeh Asgari; Faal, Ali Yeganeh; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Eigner, Václav; Dušek, Michal","Design and synthesis of a novel trinuclear palladium(ii) complex containing an oxime chelate ligand: determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches","New J. Chem.","2015","39","11","8708","","10.1039/C5NJ01280E","","x-ray","1.54184","CuKα","","0.1268","0.0726","","","0.1653","0.1956","","","","1.69","1.69","1.37","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055083","24.539","0.006","20.456","0.005","15.357","0.004","90","","97.384","0.007","90","","7645","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H71 N11 O10.5 Yb -","- C73 H71 N11 O10.5 Yb -","- C292 H284 N44 O42 Yb4 -","4","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.1256","0.0802","","","0.2181","0.2529","","","","","","1.052","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055084","13.003","0.005","14.986","0.002","15.684","0.002","117.719","0.004","95.949","0.006","92.878","0.006","2674.1","1.1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44 F6 N5 O8 S2 Yb -","- C53 H44 F6 N5 O8 S2 Yb -","- C106 H88 F12 N10 O16 S4 Yb2 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.1414","0.0736","","","0.1535","0.1895","","","","","","0.931","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055085","13.001","0.003","14.9878","0.0017","15.6387","0.0019","117.175","0.002","95.878","0.003","92.955","0.003","2680","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Dy F6 N5 O8.5 S2 -","- C53 H45 Dy F6 N5 O8.5 S2 -","- C106 H90 Dy2 F12 N10 O17 S4 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0453","0.0378","","","0.0986","0.1048","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055086","13.0712","0.0013","15.13","0.0007","15.7825","0.0007","118.258","0.003","97.533","0.004","91.684","0.004","2710.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 F6 N5 O9 S2 Tb -","- C54 H48 F6 N5 O9 S2 Tb -","- C108 H96 F12 N10 O18 S4 Tb2 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0914","0.0677","","","0.1626","0.1788","","","","","","1.0612","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055087","13.023","0.004","15.037","0.004","15.687","0.004","117.673","0.004","96.46","0.02","92.48","0.02","2687.3","1.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 F6 Ho N5 O9 S2 -","- C54 H48 F6 Ho N5 O9 S2 -","- C108 H96 F12 Ho2 N10 O18 S4 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0361","0.0296","","","0.0773","0.0804","","","","","","1.07","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055088","23.177","0.005","8.5606","0.0017","23.924","0.005","90","","90","","90","","4746.7","1.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N4 O4 S2 -","- C24 H24 N4 O4 S2 -","- C192 H192 N32 O32 S16 -","8","1","","Das, Sangita; Goswami, Shyamaprosad; Aich, Krishnendu; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun","ESIPT and CHEF based highly sensitive and selective ratiometric sensor for Al3+with imaging in human blood cells","New J. Chem.","2015","39","11","8582","","10.1039/C5NJ01468A","","","0.71073","MoKα","","0.1569","0.0623","","","0.1553","0.2121","","","","","","0.962","","","","has coordinates","171316","2020-10-21","18:00:00",""
"7055089","10.107","0.003","11.058","0.003","12.667","0.003","71.325","0.004","71.161","0.004","78.62","0.004","1262.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 6'-amino-5-bromo-5'-cyano-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate","","- C25 H20 Br N5 O5 -","- C25 H20 Br N5 O5 -","- C50 H40 Br2 N10 O10 -","2","1","","Karnakar, K.; Ramesh, K.; Reddy, K. Harsha Vardhan; Anil Kumar, B. S. P.; Nanubonula, Jagadeesh Babu; Nageswar, Y. V. D.","A novel one pot four-component reaction for the efficient synthesis of spiro[indoline-3,4′-pyrano[2,3-c]pyrazole]-3′-carboxylate and trifluoromethylated spiro[indole-3,4′-pyrano[2,3-c]pyrazole] derivatives using recyclable PEG-400","New J. Chem.","2015","39","11","8978","","10.1039/C5NJ01448D","","","0.71073","MoKα","","0.0745","0.0468","","","0.1258","0.1409","","","","","","1.028","","","","has coordinates,has disorder","171313","2020-10-21","18:00:00",""
"7055090","11.1658","0.0005","11.1797","0.0005","13.1399","0.0006","67.863","0.001","65.724","0.001","67.08","0.001","1330.51","0.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.0634","0.0416","","","0.1037","0.1219","","","","","","0.882","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055091","10.827","0.018","11.07","0.018","12.58","0.02","65.78","0.017","73.533","0.017","65.932","0.017","1243","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 Cl6 Mo2 N8 O6 S4 -","- C42 H34 Cl6 Mo2 N8 O6 S4 -","- C42 H34 Cl6 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.1394","0.0838","","","0.2067","0.242","","","","","","0.943","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055092","10.9255","0.0007","10.9637","0.0007","13.2353","0.0008","67.269","0.006","69.255","0.005","67.937","0.006","1314","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl6 Mo2 N10 O10 S4 -","- C42 H32 Cl6 Mo2 N10 O10 S4 -","- C42 H32 Cl6 Mo2 N10 O10 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.0822","0.059","","","0.1243","0.1387","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055093","8.89","0.0002","10.3346","0.0002","11.2245","0.0002","115.313","0.001","95.614","0.001","93.303","0.001","922.08","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N5 O5 S -","- C17 H19 N5 O5 S -","- C34 H38 N10 O10 S2 -","2","1","","Patel, Tarosh S.; Vanparia, Satish F.; Gandhi, Sahaj A.; Patel, Urmila H.; Dixit, Ritu B.; Chudasama, Chaitanya J.; Dixit, Bharat C.","Novel stereoselective 2,3-disubstituted quinazoline-4(3H)-one derivatives derived from glycine as a potent antimalarial lead","New J. Chem.","2015","39","11","8638","","10.1039/C5NJ01408E","","","0.71073","MoKα","","0.0523","0.0469","","","0.1361","0.1432","","","","","","1.044","","","","has coordinates","171317","2020-10-21","18:00:00",""
"7055094","7.774","0.002","4.6585","0.0011","10.254","0.003","90","","109.516","0.015","90","","350.02","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F2 Mg5 O8 Si2 -","- F2 Mg5 O8 Si2 -","- F4 Mg10 O16 Si4 -","2","0.5","","Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua","Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2","New J. Chem.","2015","39","11","8866","","10.1039/C5NJ01911G","","","0.71073","MoKα","","0.0729","0.0671","","","0.1935","0.1981","","","","","","1.181","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055095","10.268","0.007","8.694","0.006","4.65","0.003","90","","90","","90","","415.1","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 Mg3 O4 Si -","- F2 Mg3 O4 Si -","- F8 Mg12 O16 Si4 -","4","0.5","","Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua","Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2","New J. Chem.","2015","39","11","8866","","10.1039/C5NJ01911G","","","0.71073","MoKα","","0.0713","0.0643","","","0.1869","0.1929","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055096","12.8819","0.0011","19.3135","0.0015","21.382","0.003","90","","94.83","0.009","90","","5300.8","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","2","","Astolfi, Paola; Alberti, Angelo; Carloni, Patricia; Greci, Lucedio; Rizzoli, Corrado; Stipa, Pierluigi","The reactivity of manganese dioxide with different substrates in organic solvents","New J. Chem.","2015","","","","","10.1039/C5NJ01592H","","","1.54178","CuKα","","0.0769","0.0453","","","0.1105","0.1267","","","","","","0.958","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7055097","9.6261","0.0003","10.9469","0.0003","14.6288","0.0004","72.336","0.003","89.163","0.003","65.679","0.002","1327.63","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl2 N5 O2 P3 -","- C24 H26 Cl2 N5 O2 P3 -","- C48 H52 Cl4 N10 O4 P6 -","2","1","","Başterzi, Nisan Sevin; Bilge Koçak, Selen; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer; Çelik, Ömer; Türk, Mustafa; Koç, L. Yasemin; Açık, Leyla; Aydın, Betül","Syntheses, structural characterization and biological activities of spiro-ansa-spiro-cyclotriphosphazenes","New J. Chem.","2015","39","11","8825","","10.1039/C5NJ01530H","","","0.71073","MoKα","","0.0634","0.0443","","","0.1187","0.1297","","","","","","1.036","","","","has coordinates","171320","2020-10-21","18:00:00",""
"7055098","7.136","0.0013","9.7606","0.0013","13.6208","0.0012","70.976","0.01","78.653","0.012","71.791","0.015","847.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C38 H46 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.7107","MoKα","","0.0784","0.0596","","","0.1378","0.1594","","","","","","1.034","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055099","10.2724","0.0004","10.5468","0.0004","10.7163","0.0004","68.395","0.004","71.217","0.004","69.263","0.004","984.7","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C52 H40 N4 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.0445","0.0372","","","0.0917","0.0964","","","","","","1.018","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055100","8.8129","0.0004","9.0613","0.0005","16.1691","0.0007","92.583","0.004","92.986","0.004","104.621","0.004","1245.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Br N3 O -","- C32 H24 Br N3 O -","- C64 H48 Br2 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.5418","CuKα","","0.0433","0.0346","","","0.0835","0.0895","","","","","","1.032","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055101","6.1591","0.0005","12.0853","0.001","12.7889","0.0009","101.637","0.006","93.38","0.006","92.887","0.007","928.86","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 O -","- C23 H23 N3 O -","- C46 H46 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.7107","MoKα","","0.072","0.0585","","","0.1566","0.1728","","","","","","1.07","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055102","22.9818","0.0013","8.6205","0.0003","23.3388","0.001","90","","114.188","0.006","90","","4217.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C216 H184 N24 O8 -","8","2","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.1129","0.0912","","","0.215","0.226","","","","","","1.115","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055103","9.1527","0.0008","10.0852","0.0007","10.4387","0.0009","90","","110.242","0.01","90","","904.05","0.14","100.01","0.1","100","0.02","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C44 H42 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.5418","CuKα","","0.0513","0.0399","","","0.0919","0.0994","","","","","","1.012","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055104","9.5535","0.0003","6.1044","0.0003","26.1423","0.001","90","","97.15","0.003","90","","1512.72","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.0652","0.0485","","","0.1158","0.1247","","","","","","1.054","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055105","17.0999","0.0002","8.90736","0.0001","15.9119","0.0002","90","","90","","90","","2423.62","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H25 N3 O -","- C32 H25 N3 O -","- C128 H100 N12 O4 -","4","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.54184","CuKα","","0.0274","0.0268","","","0.067","0.0677","","","","","","1.042","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055106","10.5963","0.0006","10.8613","0.0005","13.9872","0.0006","83.343","0.004","69.786","0.005","61.16","0.005","1320.75","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Br N3 O -","- C32 H24 Br N3 O -","- C64 H48 Br2 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.54184","CuKα","","0.05","0.0466","","","0.1334","0.1386","","","","","","1.03","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055107","9.735","0.003","11.144","0.003","12.745","0.004","90","","90","","90","","1382.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Indozolidinoindolones","(5S,11bR)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0458","0.0352","","","0.0804","0.0862","","","","","","1.065","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055108","9.821","0.008","11.174","0.008","12.954","0.01","90","","90","","90","","1421.6","1.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","indozolidinoindolones","(5R,11bS)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0598","0.0423","","","0.0925","0.1024","","","","","","1.055","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055109","7.289","0.003","11.525","0.004","14.616","0.005","90","","91.587","0.019","90","","1227.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spiroindolopyrrolizinones","(1'R,7a'S)-7a'-methyl-2',3',7',7a'-tetrahydrospiro[indoline-3,1'-pyrrolizine]-2,5'(6'H)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.2204","0.1267","","","0.3225","0.4145","","","","","","1.131","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055110","13.677","0.007","16.455","0.008","19.539","0.008","70.956","0.018","76.3","0.02","87.68","0.02","4035","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","AzPy2HBF4","AzPy2H_BF4","","- C100.5 H71.5 B3 F12 N6 O1.83 -","- C100.5 H71.5 B3 F12 N6 O1.828 -","- C201 H143 B6 F24 N12 O3.656 -","2","1","","Ninomiya, Kazuki; Harada, Yumi; Kanetou, Tomoaki; Suenaga, Yuma; Murafuji, Toshihiro; Tsunashima, Ryo","Synthesis and acid‒base properties of a proton-bridged biaryl compound based on pyridylazulene","New J. Chem.","2015","39","12","9079","","10.1039/C5NJ01651G","","","0.7107","MoKα","","0.1586","0.1034","","","0.2693","0.3137","","","","","","1.314","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055113","8.1682","0.0011","10.1121","0.0012","12.2265","0.0015","106.817","0.005","96.61","0.005","94.955","0.005","952.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methoxyphenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C21 H21 N3 O2 S -","- C21 H21 N3 O2 S -","- C42 H42 N6 O4 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Hussain, Muhammad Ajaz; Afzal, Muhammad; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Me3N-promoted synthesis of 2,3,4,4a-tetrahydroxanthen-1-one: preparation of thiosemicarbazone derivatives, their solid state self-assembly and antimicrobial properties","New J. Chem.","2015","39","12","9351","","10.1039/C5NJ01879J","","","0.71073","MoKα","","0.123","0.0641","","","0.171","0.2036","","","","","","1.038","","","","has coordinates","171305","2020-10-21","18:00:00",""
"7055114","9.6988","0.001","9.8693","0.0009","10.7502","0.0012","101.697","0.006","101.627","0.006","101.57","0.006","955.19","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2E)-N-(2,4-dichlorophenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C20 H17 Cl2 N3 O S -","- C20 H17 Cl2 N3 O S -","- C40 H34 Cl4 N6 O2 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Hussain, Muhammad Ajaz; Afzal, Muhammad; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Me3N-promoted synthesis of 2,3,4,4a-tetrahydroxanthen-1-one: preparation of thiosemicarbazone derivatives, their solid state self-assembly and antimicrobial properties","New J. Chem.","2015","39","12","9351","","10.1039/C5NJ01879J","","","0.71073","MoKα","","0.0806","0.0606","","","0.1567","0.1708","","","","","","1.081","","","","has coordinates,has disorder","171305","2020-10-21","18:00:00",""
"7055115","25.8681","0.0018","19.8556","0.0018","16.277","0.0013","90","","101.368","0.002","90","","8196.3","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H108 Cl6 Cu N14 O9 -","- C70 H108 Cl6 Cu N14 O9 -","- C280 H432 Cl24 Cu4 N56 O36 -","4","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1428","0.0717","","","0.1472","0.1822","","","","","","1.242","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055116","8.643","0.003","21.583","0.008","11.46","0.004","90","","107.229","0.007","90","","2041.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Cu N6 O6 -","- C36 H50 Cl2 Cu N6 O6 -","- C72 H100 Cl4 Cu2 N12 O12 -","2","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1162","0.0635","","","0.1545","0.1962","","","","","","0.965","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055117","30.652","0.005","8.83","0.0015","30.761","0.005","90","","108.628","0.003","90","","7890","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 Cl2 Cu N7 O7 S -","- C35 H51 Cl2 Cu N7 O7 S -","- C280 H408 Cl16 Cu8 N56 O56 S8 -","8","1","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1212","0.0612","","","0.1536","0.2001","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055118","9.713","0.002","13.623","0.003","15.213","0.003","65.309","0.002","84.32","0.002","79.878","0.002","1799.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 Cl6 Cu N12 O12 -","- C64 H88 Cl6 Cu N12 O12 -","- C64 H88 Cl6 Cu N12 O12 -","1","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.07","0.0527","","","0.1462","0.1614","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055119","14.574","0.0007","23.5585","0.0011","15.4557","0.0007","90","","110.801","0.003","90","","4960.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn2(L)(oba)2?2DMF?2H2O","","- C52 H48 N6 O16 Zn2 -","- C49 H37 N5 O13 Zn2 -","- C196 H148 N20 O52 Zn8 -","4","1","","Lin, Rong-Guang; Cao, Gao-Juan; Lin, Jian-Di; Wang, Yu-Lin","A novel 3-fold interpenetration metal‒organic framework with tunable luminescence and selective adsorption of CO2properties","New J. Chem.","2015","39","12","9075","","10.1039/C5NJ01639H","","","0.71073","MoKα","","0.0687","0.0474","","","0.1164","0.1262","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055120","10.998","0.002","6.197","0.0012","21.583","0.004","90","","103.25","0.03","90","","1431.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br O3 -","- C16 H15 Br O3 -","- C64 H60 Br4 O12 -","4","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.061","0.0323","","","0.0686","0.0771","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055121","10.439","0.003","5.0804","0.0019","11.712","0.004","90","","99.816","0.014","90","","612","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C30 H24 O8 -","2","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.1322","0.0693","","","0.1622","0.1963","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055122","14.1031","0.0012","10.4382","0.0009","17.8607","0.0013","90","","90","","90","","2629.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.0651","0.0388","","","0.0925","0.1074","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055123","7.3939","0.0004","19.7414","0.0011","8.5702","0.0004","90","","95.998","0.002","90","","1244.11","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.0549","0.0424","","","0.1257","0.1364","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055124","16.5569","0.0008","7.4472","0.0004","12.9479","0.0007","90","","99.196","0.002","90","","1575.99","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0522","0.0409","","","0.1083","0.1161","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055125","11.332","0.002","9.1756","0.0016","17.706","0.003","90","","104.54","0.006","90","","1782.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0552","0.0419","","","0.1104","0.1206","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055126","8.6306","0.0009","10.7523","0.0012","11.2579","0.0013","98.521","0.005","97.359","0.005","107.517","0.004","968.62","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C48 H38 N6 O6 -","2","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.1346","0.1194","","","0.4014","0.4097","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055127","7.817","0.0008","9.4031","0.001","16.4402","0.0017","73.821","0.003","81.557","0.003","69.541","0.003","1085.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0616","0.0432","","","0.0974","0.1066","","","","","","1.046","","","","has coordinates","171303","2020-10-21","18:00:00",""
"7055128","19.852","0.002","6.7979","0.0006","19.7407","0.0017","90","","100.635","0.004","90","","2618.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 N2 S4 Sn -","- C20 H38 N2 S4 Sn -","- C80 H152 N8 S16 Sn4 -","4","0.5","","Khan, Malik Dilshad; Akhtar, Javeed; Malik, Mohammad Azad; Akhtar, Masood; Revaprasadu, Neerish","Phase-pure fabrication and shape evolution studies of SnS nanosheets","New J. Chem.","2015","39","12","9569","","10.1039/C5NJ01919B","","","1.54178","CuKα","","0.0252","0.0236","","","0.0581","0.0591","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055129","7.9316","0.0011","8.4597","0.0012","14.947","0.002","90.946","0.002","101.791","0.002","109.574","0.001","921.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 Fe2 O7 S2 -","- C17 H6 Fe2 O7 S2 -","- C34 H12 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0391","0.0342","","","0.1027","0.1059","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055130","7.71","0.003","11.306","0.004","15.523","0.005","110.397","0.004","91.963","0.004","107.447","0.004","1195.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H13 Br Cl0 Fe2 O8 S2 -","- C21 H13 Br Fe2 O8 S2 -","- C42 H26 Br2 Fe4 O16 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0667","0.0485","","","0.1318","0.1402","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055131","8.0499","0.001","8.5617","0.0011","14.8223","0.0018","91.11","0.002","102.731","0.001","109.146","0.001","936.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Fe2 O7 S2 -","- C17 H8 Fe2 O7 S2 -","- C34 H16 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0407","0.0308","","","0.0859","0.0909","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055132","7.9363","0.0012","34.734","0.005","17.444","0.003","90","","94.006","0.002","90","","4796.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H13 Cl Fe2 O8 S2 -","- C21 H13 Cl Fe2 O8 S2 -","- C168 H104 Cl8 Fe16 O64 S16 -","8","4","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0427","0.036","","","0.0882","0.0911","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055133","7.653","0.008","14.654","0.015","14.902","0.015","68.932","0.011","78.682","0.011","84.567","0.012","1529","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 Cl2 Fe3 O8 S2 -","- C29 H18 Cl2 Fe3 O8 S2 -","- C58 H36 Cl4 Fe6 O16 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.044","0.0373","","","0.0976","0.1029","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055134","7.556","0.005","9.504","0.007","14.246","0.01","86.686","0.008","79.551","0.008","66.911","0.008","925.4","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 Fe2 O7 S2 -","- C17 H6 Fe2 O7 S2 -","- C34 H12 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0335","0.0263","","","0.0693","0.0725","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055135","10.3845","0.0009","10.3845","0.0009","6.4739","0.0008","90","","90","","120","","604.6","0.11","298","2","298","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- B3 Li O9 Sr Tb2 -","- B3 Li O9 Sr Tb2 -","- B9 Li3 O27 Sr3 Tb6 -","3","0.25","","Chen, Pengyun; Xia, Mingjun; Li, R. K.","A terbium rich orthoborate LiSrTb2(BO3)3and its analogues","New J. Chem.","2015","39","12","9389","","10.1039/C5NJ01913C","","","0.71073","MoKα","","0.0378","0.0311","","","0.0704","0.0732","","","","","","1.147","","","","has coordinates","171295","2020-10-21","18:00:00",""
"7055136","8.3278","0.0004","17.6372","0.0008","12.0862","0.0005","90","","93.553","0.003","90","","1771.8","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 P -","- C23 H21 P -","- C92 H84 P4 -","4","1","","Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium","New J. Chem.","2015","39","12","9429","","10.1039/C5NJ01756D","","","0.71073","MoKα","","0.0614","0.0429","","","0.0973","0.1077","","","","","","1.041","","","","has coordinates","171308","2020-10-21","18:00:00",""
"7055137","16.6549","0.0002","11.2323","0.0001","20.2304","0.0002","90","","96.4639","0.0004","90","","3760.5","0.07","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 P -","- C24 H23 P -","- C192 H184 P8 -","8","1","","Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium","New J. Chem.","2015","39","12","9429","","10.1039/C5NJ01756D","","","0.71073","MoKα","","0.0371","0.0341","","","0.0934","0.0968","","","","","","1.024","","","","has coordinates","171308","2020-10-21","18:00:00",""
"7055138","9.7473","0.0009","17.3697","0.0015","18.2266","0.0018","90","","90","","90","","3085.9","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C26 H22 Co N10 Na O6 S4 -","- C26 H22 Co N10 Na O6 S4 -","- C104 H88 Co4 N40 Na4 O24 S16 -","4","0.5","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.1101","0.0657","","","0.1129","0.1274","","","","","","1.082","","","","has coordinates,has disorder","171302","2020-10-21","18:00:00",""
"7055139","9.488","0.006","12.563","0.008","16.137","0.009","70.636","0.003","86.729","0.003","89.399","0.002","1811.7","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H26 Cd Cl Co N10 O9 S4 -","- C27 H26 Cd Cl Co N10 O9 S4 -","- C54 H52 Cd2 Cl2 Co2 N20 O18 S8 -","2","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71069","MoKα","","0.0499","0.0426","","","0.116","0.1201","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055140","43.8659","0.0011","43.8659","0.0011","9.541","0.0003","90","","90","","120","","15899.3","0.8","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C26 H22 Cl Co Hg N10 O4 S4 -","- C26 H22.315 Cl Co Hg N10 O4 S4 -","- C468 H401.67 Cl18 Co18 Hg18 N180 O72 S72 -","18","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.0917","0.0513","","","0.1304","0.1401","","","","","","0.91","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055141","16.106","0.005","29.674","0.003","16.658","0.004","90","","90.38","0.005","90","","7961","3","295","2","295","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 Cl Co N10 O10 S4 Zn -","- C26 H22 Cl Co N10 O10 S4 Zn -","- C208 H176 Cl8 Co8 N80 O80 S32 Zn8 -","8","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.109","0.0716","","","0.1787","0.2021","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055142","7.8871","0.0011","11.287","0.0016","15.565","0.002","72.418","0.002","88.268","0.002","80.936","0.002","1304.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 Co N7 O3 -","- C24 H32 Cl2 Co N7 O3 -","- C48 H64 Cl4 Co2 N14 O6 -","2","1","","Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard","New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2","New J. Chem.","2015","39","12","9858","","10.1039/C5NJ02135A","","","0.71073","MoKα","","0.0402","0.0293","","","0.0645","0.0692","","","","","","1.031","","","","has coordinates","171299","2020-10-21","18:00:00",""
"7055143","8.0125","0.0004","11.3","0.0006","15.6292","0.0008","73.057","0.001","88.933","0.001","81.351","0.001","1337.8","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Br2 Co N7 O3 -","- C24 H32 Br2 Co N7 O3 -","- C48 H64 Br4 Co2 N14 O6 -","2","1","","Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard","New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2","New J. Chem.","2015","39","12","9858","","10.1039/C5NJ02135A","","","0.71073","MoKα","","0.0339","0.0255","","","0.0579","0.0611","","","","","","1.025","","","","has coordinates","171299","2020-10-21","18:00:00",""
"7055157","23.731","0.005","8.3394","0.0015","13.706","0.002","90","","106.707","0.012","90","","2597.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0522","0.0403","","","0.0854","0.0897","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7055207","14.708","0.003","15.429","0.003","23.084","0.004","84.282","0.003","82.619","0.003","86.756","0.003","5164.1","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 N Nd4 O32 -","- C87 H57 N Nd4 O32 -","- C174 H114 N2 Nd8 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0611","0.0403","","","0.0784","0.0843","","","","","","1.004","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055208","14.604","0.003","15.309","0.003","22.87","0.005","84.603","0.003","83.64","0.003","86.655","0.003","5053.2","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 N O32 Sm4 -","- C87 H57 N O32 Sm4 -","- C174 H114 N2 O64 Sm8 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0942","0.0527","","","0.099","0.1092","","","","","","0.992","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055209","14.589","0.002","15.285","0.002","22.758","0.003","84.679","0.003","84.323","0.003","86.396","0.003","5020.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 Eu4 N O32 -","- C87 H57 Eu4 N O32 -","- C174 H114 Eu8 N2 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.1139","0.0652","","","0.1146","0.1246","","","","","","0.986","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055210","14.626","0.007","15.297","0.007","23.009","0.01","84.817","0.006","83.605","0.006","86.488","0.006","5088","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 Gd4 N O32 -","- C87 H57 Gd4 N O32 -","- C174 H114 Gd8 N2 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0759","0.0475","","","0.0896","0.0977","","","","","","0.983","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055211","15.089","0.006","15.275","0.006","23.654","0.01","85.902","0.007","81.506","0.007","86.813","0.008","5373","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H52 N O32 Tb4 -","- C84 H52 O32 Tb4 -","- C168 H104 O64 Tb8 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.109","0.0752","","","0.1473","0.1616","","","","","","1.017","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055212","15.189","0.003","15.232","0.002","23.855","0.004","85.89","0.003","79.971","0.003","86.842","0.003","5415.7","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H52 Dy4 N O32 -","- C84 H52 Dy4 O32 -","- C168 H104 Dy8 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0919","0.0562","","","0.1112","0.1221","","","","","","1.005","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055213","15.9451","0.0014","28.148","0.003","23.416","0.002","90","","107.837","0.002","90","","10004.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H59 N O33 Tb4 -","- C87 H59 N O33 Tb4 -","- C348 H236 N4 O132 Tb16 -","4","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0494","0.0348","","","0.0672","0.0705","","","","","","1.066","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055214","15.97","0.004","28.166","0.007","23.583","0.006","90","","108.092","0.003","90","","10083","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H59 Dy4 N O33 -","- C87 H59 Dy4 N O33 -","- C348 H236 Dy16 N4 O132 -","4","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0686","0.0476","","","0.1017","0.1089","","","","","","1.09","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055219","7.957","0.005","9.112","0.005","16.833","0.01","80.061","0.009","80.638","0.009","82.591","0.009","1179.7","1.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 N6 O4 Pd S2 -","- C48 H52 N6 O4 Pd S2 -","- C48 H52 N6 O4 Pd S2 -","1","0.5","","Spodine, Evgenia; Hernández, Wilfredo; Vaisberg, Abraham; Tobar, Mabel; Alvarez, Melisa; Manzur, Jorge; Echevarría, Yuri","In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone Complexes and the Corresponding Functionalized Chitosan Coated Magnetite Nanoparticles","New J. Chem.","2015","","","","","10.1039/C5NJ02429C","","","0.71073","MoKα","","0.0674","0.0594","","","0.1462","0.1525","","","","","","1.035","","","","has coordinates","171458","2020-10-21","18:00:00",""
"7059087","9.2691","0.0012","9.3354","0.0013","18.669","0.003","90","","98.925","0.012","90","","1595.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Co3 N10 O10 -","- C26 H24 Co3 N10 O10 -","- C52 H48 Co6 N20 O20 -","2","0.5","","Chen, Xi; Li, Zhao; Wei, Rong-jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Template controlled synthesis of cluster-based porous coordination polymers: crystal structure, magnetism and adsorption","New Journal of Chemistry","2015","39","9","7333","","10.1039/C5NJ01417D","","","0.71073","MoKα","","0.0699","0.0504","","","0.1121","0.1353","","","","","","1.011","","","","has coordinates","233459","2020-10-21","18:00:00",""
"7059088","17.4654","0.0018","17.4654","0.0018","19.854","0.003","90","","90","","90","","6056.3","1.3","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C48 H32 Co8 N32 O17 -","- C48 H32 Co8 N32 O17 -","- C96 H64 Co16 N64 O34 -","2","0.125","","Chen, Xi; Li, Zhao; Wei, Rong-jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Template controlled synthesis of cluster-based porous coordination polymers: crystal structure, magnetism and adsorption","New Journal of Chemistry","2015","39","9","7333","","10.1039/C5NJ01417D","","","0.71073","MoKα","","0.1252","0.1072","","","0.2425","0.2581","","","","","","1.206","","","","has coordinates","233459","2020-10-21","18:00:00",""
"7059089","8.1736","0.0008","10.0387","0.001","11.0871","0.0011","90","","106.568","0.001","90","","871.95","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O6 Zn -","- C5 H7 N5 O6 Zn -","- C20 H28 N20 O24 Zn4 -","4","1","","Seco, Jose M.; Calahorro, Antonio J.; Sebastian, Eider San; Salinas-Castillo, Alfonso; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Experimental and theoretical study of photoluminescence and magnetic properties of metal‒organic polymers based on squarate and tetrazolate moieties containing linkers","New Journal of Chemistry","2015","39","12","9926","","10.1039/C5NJ02474A","","","0.71069","MoKα","","0.0473","0.0383","","","0.0897","0.0946","","","","","","1.075","","","","has coordinates","233461","2020-10-21","18:00:00",""
"7059090","8.193","0.002","10.046","0.003","10.966","0.003","90","","106.514","0.004","90","","865.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Co N5 O6 -","- C5 H7 Co N5 O6 -","- C20 H28 Co4 N20 O24 -","4","1","","Seco, Jose M.; Calahorro, Antonio J.; Sebastian, Eider San; Salinas-Castillo, Alfonso; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Experimental and theoretical study of photoluminescence and magnetic properties of metal‒organic polymers based on squarate and tetrazolate moieties containing linkers","New Journal of Chemistry","2015","39","12","9926","","10.1039/C5NJ02474A","","","0.71069","MoKα","","0.0581","0.0421","","","0.0962","0.1045","","","","","","1.039","","","","has coordinates","233461","2020-10-21","18:00:00",""
"7115348","37.446","0.002","10.0704","0.0007","13.1981","0.001","90","","101.015","0.006","90","","4885.3","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C240 H200 N8 O40 -","8","1","","Jardim, Guilherme A. M.; Guimarães, Tiago T.; Pinto, Maria do Carmo F. R.; Cavalcanti, Bruno C.; de Farias, Kaio M.; Pessoa, Claudia; Gatto, Claudia C.; Nair, Divya K.; Namboothiri, Irishi N. N.; da Silva Júnior, Eufrânio N.","Naphthoquinone-based chalcone hybrids and derivatives: synthesis and potent activity against cancer cell lines","Med. Chem. Commun.","2015","6","1","120","","10.1039/C4MD00371C","","x-ray","0.71073","MoKα","","0.194","0.0551","","","0.1062","0.1576","","","","","","0.927","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7116086","8.429","0.005","15.689","0.009","13.238","0.008","90","","101.668","0.013","90","","1714.5","1.8","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N9 -","- C15 H21 N9 -","- C60 H84 N36 -","4","1","","Hoffknecht, Barbara C.; Albada, H. Bauke; Sturm, Marina; Prochnow, Pascal; Bandow, Julia E.; Metzler-Nolte, Nils","Synthesis and antibacterial activity of trivalent ultrashort Arg-Trp-based antimicrobial peptides (AMPs)","Med. Chem. Commun.","2015","6","2","372","","10.1039/C4MD00327F","","","0.71073","MoKα","","0.188","0.0986","","","0.2218","0.2671","","","","","","1.14","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116144","5.215","0.005","23.832","0.005","14.377","0.005","90","0.005","95.528","0.005","90","0.005","1778.5","1.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 S2 -","- C20 H20 N2 O2 S2 -","- C80 H80 N8 O8 S8 -","4","1","","Joydeep Dhar; Durga Prasad Karothu; Satish Patil","Herringbone to cofacial solid state packing via H-bonding in diketopyrrolopyrrole (DPP) based molecular crystals: influence on charge transport","Chem.Commun.","2015","51","","51","","10.1039/C4cc06063F","","","0.71073","MoKα","","0.0882","0.0689","","","0.1437","0.1495","","","","","","1.229","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116145","4.9724","0.0013","26.488","0.006","14.65","0.005","90","","96.55","0.02","90","","1916.9","0.9","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Joydeep Dhar; Durga Prasad Karothu; Satish Patil","Herringbone to cofacial solid state packing via H-bonding in diketopyrrolopyrrole (DPP) based molecular crystals: influence on charge transport","Chem.Commun.","2015","51","","51","","10.1039/C4cc06063F","","","0.7107","MoKα","","0.2647","0.0889","","","0.1498","0.2099","","","","","","0.85","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116146","16.322","0.006","9.073","0.003","16.857","0.006","90","","114.032","0.004","90","","2280","1.4","93","","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 8-t-butyl-2a,13b-dihydrobenzo[7,8]indolizino[6,5,4,3-def]phenanthridine-1,2-dicarboxylate","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C120 H108 N4 O16 -","4","1","","S. Ito; Y. Tokimaru; K. Nozaki","Isoquinolino[4,3,2-de]phenanthridine: synthesis and its use in 1,3-dipolar cycloadditions to form nitrogen-containing polyaromatic hydrocarbons","Chem.Commun.","2015","51","","221","","10.1039/C4cc06643J","","","0.71075","MoKα","","0.082","0.0676","","","0.124","0.131","","","","","","1.167","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116147","8.784","0.002","20.52","0.005","29.114","0.007","90","","90","","90","","5248","2","93","","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-t-Butyl-1,2-diphenylbenzo[7,8]indolizino[6,5,4,3-def]phenanthridine","","- C38 H29 N -","- C38 H29 N -","- C304 H232 N8 -","8","1","","S. Ito; Y. Tokimaru; K. Nozaki","Isoquinolino[4,3,2-de]phenanthridine: synthesis and its use in 1,3-dipolar cycloadditions to form nitrogen-containing polyaromatic hydrocarbons","Chem.Commun.","2015","51","","221","","10.1039/C4cc06643J","","","0.71075","MoKα","","0.0723","0.0592","","","0.1202","0.1272","","","","","","1.143","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116148","9.666","0.003","22.449","0.006","29.445","0.008","90","","90","","90","","6389","3","93","","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 4,4'-(8-t-butylbenzo[7,8]indolizino[6,5,4,3-def]phenanthridine-1,2-diyl)dibenzoate","","- C42 H33 N O4 -","- C42 H33 N O4 -","- C336 H264 N8 O32 -","8","1","","S. Ito; Y. Tokimaru; K. Nozaki","Isoquinolino[4,3,2-de]phenanthridine: synthesis and its use in 1,3-dipolar cycloadditions to form nitrogen-containing polyaromatic hydrocarbons","Chem.Commun.","2015","51","","221","","10.1039/C4cc06643J","","","0.71075","MoKα","","0.0865","0.0799","","","0.1425","0.1455","","","","","","1.301","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116149","12.9409","0.0003","11.8975","0.0003","19.1295","0.0005","90","","109.446","0.001","90","","2777.25","0.12","150","2","150","2","","","","","","","toluene","6","P 1 21/c 1","-P 2ybc","14","[IrCl(COD)(IMesBr)]","","","- C29 H34 Br2 Cl Ir N2 -","- C29 H34 Br2 Cl Ir N2 -","- C116 H136 Br8 Cl4 Ir4 N8 -","4","1","","Samantha K. Furfari; Matthew R. Gyton; Daniel Twycross; Marcus L. Cole","Air stable NHCs: a study of stereoelectronics and metallorganic catalytic activity","Chem.Commun.","2015","51","","74","","10.1039/C4cc06809B","","x-ray","0.71073","MoKα","","0.0363","0.0237","","","0.0458","0.0494","","","","","","1.043","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116150","10.6872","0.0013","21.9371","0.0016","19.3647","0.0014","90","","99.668","0.003","90","","4475.5","0.7","150","2","150","2","","","","","","","toluene","6","P 1 21/c 1","-P 2ybc","14","[IrCl(COD)(IPrBr)].2C7H8","","","- C49 H62 Br2 Cl Ir N2 -","- C49 H62 Br2 Cl Ir N2 -","- C196 H248 Br8 Cl4 Ir4 N8 -","4","1","","Samantha K. Furfari; Matthew R. Gyton; Daniel Twycross; Marcus L. Cole","Air stable NHCs: a study of stereoelectronics and metallorganic catalytic activity","Chem.Commun.","2015","51","","74","","10.1039/C4cc06809B","","x-ray","0.71073","MoKα","","0.1358","0.0642","","","0.1178","0.1497","","","","","","1.105","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116151","10.4613","0.001","11.4351","0.0009","15.2078","0.0011","77.02","0.003","76.084","0.004","70.612","0.004","1644.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","IDippBr.C7H8","","","- C34 H42 Br2 N2 -","- C34 H42 Br2 N2 -","- C68 H84 Br4 N4 -","2","1","","Samantha K. Furfari; Matthew R. Gyton; Daniel Twycross; Marcus L. Cole","Air stable NHCs: a study of stereoelectronics and metallorganic catalytic activity","Chem.Commun.","2015","51","","74","","10.1039/C4cc06809B","","x-ray","0.71073","MoKα","","0.106","0.0555","","","0.1218","0.1404","","","","","","1.018","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116152","29.6997","0.0014","6.4318","0.0003","16.6792","0.0007","90","","115.646","0.004","90","","2872.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2-bis[bis(trimethylsilyl)methyldihydridostannyl]propane","","- C17 H48 Si4 Sn2 -","- C17 H48 Si4 Sn2 -","- C68 H192 Si16 Sn8 -","4","0.5","","Michael Wagner; Michael Lutter; Bernhard Zobel; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat","[Me2C{SnCH(SiMe3)2}2]2. A mu-Me2C-bridged tetrastanna tetrahedrane","Chem.Commun.","2015","51","","153","","10.1039/C4cc07417C","","","0.71073","MoKα","","0.0196","0.0176","","","0.0504","0.0512","","","","","","1.388","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116153","13.1495","0.0005","22.2439","0.0007","19.4674","0.0006","90","","103.119","0.004","90","","5545.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetrakis[bis(trimethylsilyl)methyl]-bis-1,2-3,4-μ-(iso-propyliden)-tetrastannahedrane","","- C34 H88 Si8 Sn4 -","- C34 H88 Si8 Sn4 -","- C136 H352 Si32 Sn16 -","4","1","","Michael Wagner; Michael Lutter; Bernhard Zobel; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat","[Me2C{SnCH(SiMe3)2}2]2. A mu-Me2C-bridged tetrastanna tetrahedrane","Chem.Commun.","2015","51","","153","","10.1039/C4cc07417C","","","0.71073","MoKα","","0.0453","0.0309","","","0.0587","0.0621","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116154","27.325","0.0011","13.2488","0.0004","16.5435","0.0005","90","","109.718","0.004","90","","5638","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetrakis[bis(trimethylsilyl)methyl]-9,9,10,10-tetramethyl-2,4,6,8-tetraoxa-1,3,5,7-tetrastannaadamantane + tetrakis[bis(trimethylsilyl)methyl]-bis-1,3-2,4-μ-(iso-propyliden)-bis-1,2-3,4-μ-oxo-tetrastannahedrane","","- C34 H88 O3 Si8 Sn4 -","- C34 H88 O3 Si8 Sn4 -","- C136 H352 O12 Si32 Sn16 -","4","0.5","","Michael Wagner; Michael Lutter; Bernhard Zobel; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat","[Me2C{SnCH(SiMe3)2}2]2. A mu-Me2C-bridged tetrastanna tetrahedrane","Chem.Commun.","2015","51","","153","","10.1039/C4cc07417C","","","0.71073","MoKα","","0.0357","0.0272","","","0.0561","0.0581","","","","","","1.202","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116155","11.5486","0.0002","11.3339","0.0002","23.0576","0.0004","90","","90.649","0.002","90","","3017.83","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Mg3 N2 O11.5 -","- C34 H25 Mg3 N2 O11.5 -","- C136 H100 Mg12 N8 O46 -","4","1","","Zhao-Feng Wu; Bin Tan; Jin-Yun Wang; Cheng-Feng Du; Zhong-Hua Deng; Xiao-Ying Huang","Tunable photoluminescence and direct white-light emission in Mg-based coordination networks","Chem.Commun.","2015","51","","157","","10.1039/C4cc07634F","","","0.71073","MoKα","","0.0708","0.0583","","","0.1672","0.171","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116156","6.75674","0.00018","16.231","0.0005","16.3562","0.0005","90","","97.495","0.003","90","","1778.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Mg3 N2 O13 -","- C38 H34 Mg3 N2 O13 -","- C76 H68 Mg6 N4 O26 -","2","0.5","","Zhao-Feng Wu; Bin Tan; Jin-Yun Wang; Cheng-Feng Du; Zhong-Hua Deng; Xiao-Ying Huang","Tunable photoluminescence and direct white-light emission in Mg-based coordination networks","Chem.Commun.","2015","51","","157","","10.1039/C4cc07634F","","","0.71073","MoKα","","0.0594","0.0456","","","0.1086","0.1172","","","","","","1.008","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116157","11.54","0.0003","12.0576","0.0004","22.8377","0.0005","90","","92.783","0.002","90","","3174","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Mg3 N2 O11 -","- C37 H30 Mg3 N2 O11 -","- C148 H120 Mg12 N8 O44 -","4","1","","Zhao-Feng Wu; Bin Tan; Jin-Yun Wang; Cheng-Feng Du; Zhong-Hua Deng; Xiao-Ying Huang","Tunable photoluminescence and direct white-light emission in Mg-based coordination networks","Chem.Commun.","2015","51","","157","","10.1039/C4cc07634F","","","0.71073","MoKα","","0.045","0.0322","","","0.0715","0.0739","","","","","","1.013","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116158","7.867","0.004","13.181","0.006","23.94","0.011","90","","90","","90","","2482","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","1","","Yong Luo; Xiaolin Pan; Chen Chen; Liangqing Yao; Jie Wu","An unexpected reaction of 2-alkynylaryldiazonium tetrafluoroborate with sulfur dioxide","Chem.Commun.","2015","51","","180","","10.1039/C4cc07938H","","","0.71073","MoKα","","0.0842","0.0579","","","0.1537","0.1674","","","","","","1.031","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116159","20.509","0.002","16.0788","0.0019","26.515","0.002","90","","90","","90","","8743.6","1.5","150.03","0.12","150.03","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylsilyl)amido) samarium","","- C36 H84 N2 Si4 Sm -","- C36 H84 N2 Si4 Sm -","- C288 H672 N16 Si32 Sm8 -","8","1","","Nicholas F. Chilton; Conrad A. P. Goodwin; David P. Mills; Richard E. P. Winpenny","The first near-linear bis(amide) f-block complex: a blueprint for a high temperature single molecule magnet","Chem.Commun.","2015","51","","101","","10.1039/C4cc08312A","","","0.71073","MoKα","","0.1959","0.0728","","","0.0797","0.1085","","","","","","0.977","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116160","13.2128","0.0015","5.2286","0.0006","22.078","0.002","90","","90.021","0.002","90","","1525.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.0708","0.0494","","","0.1274","0.1399","","","","","","1.034","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116161","8.1851","0.0009","11.3028","0.0013","11.9273","0.0014","79.944","0.003","72.676","0.002","78.178","0.002","1023.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C42 H38 N2 O8 S2 -","2","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.0795","0.061","","","0.1518","0.1627","","","","","","1.052","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116162","8.0251","0.0006","25.4919","0.0018","10.5814","0.0008","90","","90","","90","","2164.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C92 H80 N8 O16 S8 -","4","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.0579","0.0403","","","0.0823","0.089","","","","","","0.981","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116163","10.559","0.003","10.991","0.003","11.719","0.003","63.538","0.006","78.349","0.006","71.093","0.006","1149.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O4 S2 -","- C23 H22 N2 O4 S2 -","- C46 H44 N4 O8 S4 -","2","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.1052","0.0844","","","0.2928","0.307","","","","","","1.173","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116164","11.441","0.002","15.055","0.003","15.927","0.003","90","","97.324","0.004","90","","2721","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O8 S -","- C30 H23 N3 O8 S -","- C120 H92 N12 O32 S4 -","4","1","","Xiang-Ying Tang; Yong-Sheng Zhang; Lv He; Yin Wei; Min Shi","Intramolecular annulation of aromatic rings with N-sulfonyl 1,2,3-triazoles: divergent synthesis of 3-methylene-2,3-dihydrobenzofurans and 3-methylene-2,3-dihydroindoles","Chem.Commun.","2015","51","","133","","10.1039/C4cc08343A","","","0.71073","MoKα","","0.0938","0.0624","","","0.1463","0.1681","","","","","","1.028","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116165","38.809","0.007","38.809","0.007","10.795","0.002","90","","90","","90","","16259","5","93","","93","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C35 H48 F Ir N2 -","- C35 H48 F Ir N2 -","- C560 H768 F16 Ir16 N32 -","16","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.1196","0.1051","","","0.2389","0.2446","","","","","","1.184","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116166","10.057","0.004","12.486","0.005","14.296","0.007","101.386","0.013","96.141","0.01","90.28","0.015","1749.1","1.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H55.82 Cl0.18 F2 Ir2 N4 -","- C34 H55.818 Cl0.182 F2 Ir2 N4 -","- C68 H111.636 Cl0.364 F4 Ir4 N8 -","2","1","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","","0.0717","","","","0.1952","","","","","","1.081","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116167","10.995","0.003","16.868","0.004","11.682","0.003","90","","98.162","0.007","90","","2144.6","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F N2 Rh -","- C23 H36 F N2 Rh -","- C92 H144 F4 N8 Rh4 -","4","1","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0531","0.0393","","","0.0763","0.0821","","","","","","1.047","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116168","20.4091","0.0018","16.5631","0.0012","20.0077","0.0018","90","","104.828","0.0019","90","","6538.1","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F2 Ir N2 -","- C35 H49 F2 Ir N2 -","- C280 H392 F16 Ir8 N16 -","8","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","","0.0253","","","","0.0759","","","","","","1.204","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116169","20.384","0.003","16.53","0.002","19.817","0.003","90","","104.41","0.003","90","","6467.2","1.6","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F2 N2 Rh -","- C35 H49 F2 N2 Rh -","- C280 H392 F16 N16 Rh8 -","8","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","","0.0548","","","","0.1335","","","","","","0.941","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116170","9.8551","0.0009","16.1164","0.0016","24.342","0.002","90","","90","","90","","3866.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 F2 Ir N2 O -","- C17 H31 F2 Ir N2 O -","- C136 H248 F16 Ir8 N16 O8 -","8","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0211","0.0194","","","0.0428","0.0432","","","","","","0.983","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116171","14.237","0.002","14.568","0.003","8.8236","0.0017","90","","90","","90","","1830.1","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H28 F3 Ir N2 -","- C18 H28 F3 Ir N2 -","- C72 H112 F12 Ir4 N8 -","4","0.5","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","","0.0343","","","","0.0874","","","","","","1.047","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116172","10.015","0.0006","10.5165","0.0009","12.2179","0.0009","80.696","0.011","71.535","0.009","71.882","0.008","1157.2","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 F3 N2 Rh -","- C24 H36 F3 N2 Rh -","- C48 H72 F6 N4 Rh2 -","2","1","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0569","0.0535","","","0.1267","0.1281","","","","","","0.999","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116173","13.3131","0.0011","20.0341","0.0017","38.159","0.003","90","","90","","90","","10177.6","1.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48.67 F N2 O0.33 Rh -","- C35 H48 F N2 O0.333333 Rh -","- C420 H576 F12 N24 O4 Rh12 -","12","3","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0651","0.0536","","","0.149","0.1592","","","","","","1.145","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116174","23.379","0.003","27.15","0.003","43.649","0.005","107.717","0.001","92.383","0.002","103.95","0.002","25415","5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C316.5 H366 N93 O111 Pd12 -","- C316.5 H366 N93 O111 Pd12 -","- C633 H732 N186 O222 Pd24 -","2","1","","Sato, Sota; Takeuchi, Ryosuke; Yagi-Utsumi, Maho; Yamaguchi, Takumi; Yamaguchi, Yoshiki; Kato, Koichi; Fujita, Makoto","A self-assembled, π-stacked complex as a finely-tunable magnetic aligner for biomolecular NMR applications.","Chemical communications (Cambridge, England)","2015","51","13","2540","2543","10.1039/c4cc09354b","","","0.71073","MoKα","","0.2795","0.1695","","","0.4435","0.4931","","","","","","1.502","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116175","16.539","0.003","6.2596","0.0012","11.472","0.002","90","","90","","90","","1187.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-[(Phenylamino)methylene]chroman-2,4-dione","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Cagide, F.; Silva, T.; Reis, J.; Gaspar, A.; Borges, F.; Gomes, L. R.; Low, J. N.","Discovery of two new classes of potent monoamine oxidase-B inhibitors by tricky chemistry.","Chemical communications (Cambridge, England)","2015","51","14","2832","","10.1039/c4cc08798d","","","0.71075","MoKα","","0.0818","0.0579","","","0.1184","0.1306","","","","","","1.043","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116176","6.6795","0.0002","7.3003","0.0003","24.602","0.0017","90","","94.306","0.007","90","","1196.27","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","","Cagide, F.; Silva, T.; Reis, J.; Gaspar, A.; Borges, F.; Gomes, L. R.; Low, J. N.","Discovery of two new classes of potent monoamine oxidase-B inhibitors by tricky chemistry.","Chemical communications (Cambridge, England)","2015","51","14","2832","","10.1039/c4cc08798d","","","0.71075","MoKα","","0.0373","0.0343","","","0.0934","0.0953","","","","","","1.082","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116177","29.5955","0.0001","29.5955","0.0001","29.5955","0.0001","90","","90","","90","","25922.5","0.15","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","1-D","","","- C48 H36 Cd3 N10 O18 -","- C48 H36 Cd3 N10 O18 -","- C576 H432 Cd36 N120 O216 -","12","0.5","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Integration of rigid and flexible organic parts for the construction of a homochiral metal-organic framework with high porosity.","Chemical communications (Cambridge, England)","2015","51","13","2565","2568","10.1039/c4cc09821h","","","1.54178","CuKα","","0.0816","0.0557","","","0.1518","0.1663","","","","","","0.982","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116178","32.897","0.005","32.897","0.005","13.939","0.003","90","","90","","120","","13064","4","293","2","293","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C8 H16 N11 Ni5 O38 P S3 W9 -","- C8 H13 N11 Ni5 O38 P S3 W9 -","- C48 H78 N66 Ni30 O228 P6 S18 W54 -","6","0.5","","Cao, Gao-Juan; Liu, Jing-Dong; Zhuang, Ting-Ting; Cai, Xiu-Hong; Zheng, Shou-Tian","A polyoxometalate-organic supramolecular nanotube with high chemical stability and proton-conducting properties.","Chemical communications (Cambridge, England)","2015","51","11","2048","2051","10.1039/c4cc08445d","","","0.71073","MoKα","","0.0919","0.0531","","","0.0992","0.1089","","","","","","1.068","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116184","12.451","0.002","27.816","0.004","14.753","0.002","90","","105.155","0.004","90","","4931.8","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C111 H110 F6 Mn2 N5 O10 P4 S2 -","- C112 H82 F6 Mn2 N5 O10 P4 S2 -","- C224 H164 F12 Mn4 N10 O20 P8 S4 -","2","0.5","","Pierri, Agustin E.; Huang, Po-Ju; Garcia, John V.; Stanfill, James G.; Chui, Megan; Wu, Guang; Zheng, Nanfeng; Ford, Peter C.","A photoCORM nanocarrier for CO release using NIR light.","Chemical communications (Cambridge, England)","2015","51","11","2072","2075","10.1039/c4cc06766e","","","0.71073","MoKα","","0.0817","0.0555","","","0.1165","0.1254","","","","","","1.164","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116185","28.95","0.002","39.508","0.003","10.2785","0.0008","90","","95.737","0.001","90","","11697.2","1.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155 H112 Cd4 N12 O19 -","- C155 H112 Cd4 N12 O19 -","- C310 H224 Cd8 N24 O38 -","2","0.5","","Qin, Ling; Zheng, Meng-Xi; Guo, Zi-Jian; Zheng, He-Gen; Xu, Yan","One non-interpenetrated chiral porous multifunctional metal-organic framework and its applications for sensing small solvent molecules and adsorption.","Chemical communications (Cambridge, England)","2015","51","12","2447","2449","10.1039/c4cc08763a","","","0.71073","MoKα","","0.0422","0.0375","","","0.0977","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116188","8.096","0.0016","17.161","0.003","17.146","0.003","90","","92.44","0.03","90","","2380","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[RuIII2DyIII2(OMe)2(O2CPh)4(mdea)2(NO3)2]","","","- C40 H48 Dy2 N4 O20 Ru2 -","- C40 H48 Dy2 N4 O20 Ru2 -","- C80 H96 Dy4 N8 O40 Ru4 -","2","0.5","","Langley, Stuart K.; Wielechowski, Daniel P.; Vieru, Veacheslav; Chilton, Nicholas F.; Moubaraki, Boujemaa; Chibotaru, Liviu F.; Murray, Keith S.","The first 4d/4f single-molecule magnet containing a {Ru(III)2Dy(III)2} core.","Chemical communications (Cambridge, England)","2015","51","11","2044","2047","10.1039/c4cc08811e","","","0.71079","synchrotron","","0.0381","0.0363","","","0.0931","0.0944","","","","","","1.055","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116201","13.3879","0.0018","14.2429","0.0019","15.839","0.002","63.721","0.006","84.21","0.006","63.061","0.007","2395.4","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H62 Cl Li N2 O2 P2 -","- C51 H62 Cl Li N2 O2 P2 -","- C102 H124 Cl2 Li2 N4 O4 P4 -","2","1","","Ho, Samuel Y.-F.; So, Cheuk-Wai; Saffon-Merceron, Nathalie; Mézailles, Nicolas","Formation of a zwitterionic boronium species from the reaction of a stable carbenoid with borane: CO2 reduction.","Chemical communications (Cambridge, England)","2015","51","11","2107","2110","10.1039/c4cc09239b","","","0.71073","MoKα","","0.1387","0.058","","","0.1208","0.152","","","","","","1.003","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116202","12.7251","0.0015","18.239","0.002","16.632","0.002","90","","102.121","0.006","90","","3774.1","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 B Cl N2 P2 -","- C43 H44 B Cl N2 P2 -","- C172 H176 B4 Cl4 N8 P8 -","4","1","","Ho, Samuel Y.-F.; So, Cheuk-Wai; Saffon-Merceron, Nathalie; Mézailles, Nicolas","Formation of a zwitterionic boronium species from the reaction of a stable carbenoid with borane: CO2 reduction.","Chemical communications (Cambridge, England)","2015","51","11","2107","2110","10.1039/c4cc09239b","","","0.71073","MoKα","","0.077","0.0451","","","0.1042","0.1199","","","","","","1.011","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116204","33.9004","0.0014","36.2831","0.0014","28.2841","0.0011","90","","110.239","0.0007","90","","32642","2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H245 N7 Na12 O268 Se8 Sn7 W54 -","- C28 N7 Na O206.5 Se8 Sn7 W54 -","- C112 N28 Na4 O826 Se32 Sn28 W216 -","4","1","","Chen, Wei-Chao; Qin, Chao; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo; Liu, Hong-Sheng","Assembly of tetrameric dimethyltin-functionalized selenotungstates: from nanoclusters to one-dimensional chains.","Chemical communications (Cambridge, England)","2015","51","12","2433","2436","10.1039/c4cc08575b","","","0.71073","MoKα","","0.1201","0.0564","","","0.1166","0.1277","","","","","","0.986","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116205","22.382","0.002","20.536","0.002","42.014","0.004","90","","96.598","0.002","90","","19183","3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H390 N8 Na10 O330 Se11 Sn16 W56 -","- C48 N8 Na2 O239 Se11 Sn16 W56 -","- C96 N16 Na4 O478 Se22 Sn32 W112 -","2","0.5","","Chen, Wei-Chao; Qin, Chao; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo; Liu, Hong-Sheng","Assembly of tetrameric dimethyltin-functionalized selenotungstates: from nanoclusters to one-dimensional chains.","Chemical communications (Cambridge, England)","2015","51","12","2433","2436","10.1039/c4cc08575b","","","0.71073","MoKα","","0.1324","0.1","","","0.2657","0.2804","","","","","","1.04","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116210","13.5271","0.0006","15.379","0.0007","38.1915","0.0018","95.015","0.001","93.776","0.001","93.571","0.001","7879","0.6","88","2","88","2","","","","","","","","7","P -1","-P 1","2","tetramethylammonium bisantimonydodecaniobophosphate","","","- C104 H264 N26 Nb36 O209 P3 Sb6 -","- C104 H264 N26 Nb36 O209.102 P3 Sb6 -","- C104 H264 N26 Nb36 O209.102 P3 Sb6 -","1","0.5","","Son, Jung-Ho; Casey, William H.","Reversible capping/uncapping of phosphorous-centered Keggin-type polyoxoniobate clusters.","Chemical communications (Cambridge, England)","2015","51","8","1436","1438","10.1039/c4cc05689b","","","0.71073","MoKα","","0.0495","0.0461","","","0.102","0.1036","","","","","","1.162","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116211","13.429","0.007","14.943","0.008","25.521","0.013","77.02","0.007","88.45","0.007","82.922","0.007","4952","4","88","2","88","2","","","","","","","","6","P -1","-P 1","2","tetramethylammonium tetradecaniobophosphate","","","- C28 H84 N7 Nb14 O68 P -","- C28 H84 N7 Nb14 O68.1495 P -","- C56 H168 N14 Nb28 O136.299 P2 -","2","1","","Son, Jung-Ho; Casey, William H.","Reversible capping/uncapping of phosphorous-centered Keggin-type polyoxoniobate clusters.","Chemical communications (Cambridge, England)","2015","51","8","1436","1438","10.1039/c4cc05689b","","","0.71073","MoKα","","0.1169","0.0877","","","0.2135","0.2301","","","","","","1.055","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116212","13.479","0.002","13.786","0.002","16.904","0.002","70.1318","0.0018","69.2539","0.0018","74.0995","0.0018","2720.2","0.7","88","2","88","2","","","","","","","","6","P -1","-P 1","2","tetramethylammonium dodecaniobophosphate","","","- C40 H52 N10 Nb12 O70 P -","- C40 H52 N10 Nb12 O70.46 P -","- C40 H52 N10 Nb12 O70.46 P -","1","0.5","","Son, Jung-Ho; Casey, William H.","Reversible capping/uncapping of phosphorous-centered Keggin-type polyoxoniobate clusters.","Chemical communications (Cambridge, England)","2015","51","8","1436","1438","10.1039/c4cc05689b","","","0.71073","MoKα","","0.107","0.0966","","","0.244","0.2525","","","","","","1.044","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116213","25.645","0.0005","25.645","0.0005","16.21","0.0005","90","","90","","90","","10660.8","0.4","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C16 H118 Cu4 N16 Nb12 O66 Sb2 Si -","- C16 H64 Cu4 N16 Nb12 O66 Sb2 Si -","- C64 H256 Cu16 N64 Nb48 O264 Sb8 Si4 -","4","0.25","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.1174","0.0578","","","0.1581","0.1889","","","","","","1.026","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116214","25.541","0.0004","25.541","0.0004","16.145","0.0004","90","","90","","90","","10532.1","0.4","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C16 H118 Cu4 Ge N16 Nb12 O66 Sb2 -","- C16 H64 Cu4 Ge N16 Nb12 O66 Sb2 -","- C64 H256 Cu16 Ge4 N64 Nb48 O264 Sb8 -","4","0.25","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0473","0.0373","","","0.1134","0.1202","","","","","","1.096","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116215","25.61","0.0005","25.61","0.0005","16.186","0.0006","90","","90","","90","","10615.9","0.5","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C16 H117 Cu4 N16 Nb12 O66 P Sb2 -","- C16 H64 Cu4 N16 Nb12 O66 P Sb2 -","- C64 H256 Cu16 N64 Nb48 O264 P4 Sb8 -","4","0.25","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0737","0.0477","","","0.1313","0.1451","","","","","","1.072","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116216","25.605","0.0005","25.605","0.0005","16.189","0.0005","90","","90","","90","","10613.8","0.4","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C16 H117 As Cu4 N16 Nb12 O66 Sb2 -","- C16 H64 As Cu4 N16 Nb12 O66 Sb2 -","- C64 H256 As4 Cu16 N64 Nb48 O264 Sb8 -","4","0.25","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0514","0.0402","","","0.1207","0.1295","","","","","","1.071","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116217","14.893","0.0008","39.874","0.002","19.332","0.0011","90","","95.052","0.001","90","","11435.6","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H180 Cu9 Ge2 N36 Nb24 O97 Sb4 -","- C36 H144 Cu9 Ge2 N36 Nb24 O92.2 Sb4 -","- C72 H288 Cu18 Ge4 N72 Nb48 O184.4 Sb8 -","2","0.5","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0909","0.0634","","","0.196","0.2111","","","","","","1.053","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116218","13.869","0.0006","14.621","0.0006","22.136","0.0009","84.638","0.001","80.632","0.001","62.318","0.001","3921.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H76 Cu4 Ge N16 Nb12 O45 Sb2 -","- C16 H64 Cu4 Ge N16 Nb12 O45 Sb2 -","- C32 H128 Cu8 Ge2 N32 Nb24 O90 Sb4 -","2","1","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0615","0.0465","","","0.1485","0.1612","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116219","13.9137","0.0007","14.473","0.0007","21.9355","0.001","84.819","0.001","79.839","0.001","61.342","0.001","3815.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H76 Cu4 N16 Nb12 O45 Sb2 Si -","- C16 H64 Cu4 N16 Nb12 O45 Sb2 Si -","- C32 H128 Cu8 N32 Nb24 O90 Sb4 Si2 -","2","1","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0842","0.0534","","","0.1461","0.1707","","","","","","1.046","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116220","14.745","0.0005","40.053","0.0014","19.158","0.0007","90","","94.812","0.001","90","","11274.5","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H180 Cu9 N36 Nb24 O97 Sb4 Si2 -","- C36 H144 Cu9 N36 Nb24 O93 Sb4 Si2 -","- C72 H288 Cu18 N72 Nb48 O186 Sb8 Si4 -","2","0.5","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0665","0.0493","","","0.1337","0.1413","","","","","","1.015","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116221","25.702","0.0005","25.702","0.0005","16.236","0.0006","90","","90","","90","","10725.4","0.5","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C16 H117 Cu4 N16 Nb12 O66 Sb2 V -","- C16 H64 Cu4 N16 Nb12 O66 Sb2 V -","- C64 H256 Cu16 N64 Nb48 O264 Sb8 V4 -","4","0.25","","Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng","Antimony-dependent expansion for the Keggin heteropolyniobate family.","Chemical communications (Cambridge, England)","2015","51","15","3091","3093","10.1039/c4cc09612f","","","0.71069","MoKα","","0.0568","0.0436","","","0.1326","0.1407","","","","","","1.079","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116222","53.047","0.003","13.8933","0.0007","23.3837","0.0011","90","","107.888","0.003","90","","16400.6","1.5","100","2","100.09","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","TVBox","","- C138 H115 F96 N17 P16 -","- C138 H115 F96 N17 P16 -","- C552 H460 F384 N68 P64 -","4","0.5","","Sun, Junling; Frasconi, Marco; Liu, Zhichang; Barnes, Jonathan C.; Wang, Yuping; Chen, Dongyang; Stern, Charlotte L.; Fraser Stoddart, J.","Formation of ring-in-ring complexes between crown ethers and rigid TVBox(8+).","Chemical communications (Cambridge, England)","2015","51","8","1432","1435","10.1039/c4cc08053j","","","1.54178","CuKα","","0.086","0.0656","","","0.1772","0.1964","","","","","","1.03","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116223","13.978","0.008","16.44","0.01","27.093","0.019","90","","102","0.03","90","","6090","7","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TVBox-PhMe","","- C104 H100 F48 N12 P8 -","- C104 H100 F48 N12 P8 -","- C208 H200 F96 N24 P16 -","2","0.5","","Sun, Junling; Frasconi, Marco; Liu, Zhichang; Barnes, Jonathan C.; Wang, Yuping; Chen, Dongyang; Stern, Charlotte L.; Fraser Stoddart, J.","Formation of ring-in-ring complexes between crown ethers and rigid TVBox(8+).","Chemical communications (Cambridge, England)","2015","51","8","1432","1435","10.1039/c4cc08053j","","","1.54178","CuKα","","0.266","0.1931","","","0.4619","0.4898","","","","","","1.639","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116224","13.8603","0.0004","16.2006","0.0005","27.9776","0.0008","90","","102.962","0.0016","90","","6122.2","0.3","100","2","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TVBox-PhCl","","- C108 H100 Cl4 F48 N16 P8 -","- C108 H100 Cl4 F48 N16 P8 -","- C216 H200 Cl8 F96 N32 P16 -","2","0.5","","Sun, Junling; Frasconi, Marco; Liu, Zhichang; Barnes, Jonathan C.; Wang, Yuping; Chen, Dongyang; Stern, Charlotte L.; Fraser Stoddart, J.","Formation of ring-in-ring complexes between crown ethers and rigid TVBox(8+).","Chemical communications (Cambridge, England)","2015","51","8","1432","1435","10.1039/c4cc08053j","","","1.54178","CuKα","","0.0528","0.0493","","","0.1381","0.1413","","","","","","1.036","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116225","15.5756","0.001","7.6106","0.0005","19.6042","0.0013","90","","100.084","0.002","90","","2288","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-bis(4-ethynyl-N-methylpyridinium)benzene bis(perrhenate)","","- C22 H18 N2 O8 Re2 -","- C22 H18 N2 O8 Re2 -","- C88 H72 N8 O32 Re8 -","4","1","","Massena, Casey J.; Riel, Asia Marie S.; Neuhaus, George F.; Decato, Daniel A.; Berryman, Orion B.","Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.","Chemical communications (Cambridge, England)","2015","51","8","1417","1420","10.1039/c4cc09242b","","x-ray","0.71073","MoKα","","0.0473","0.0286","","","0.0563","0.0604","","","","","","1","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116226","6.9841","0.0005","34.338","0.003","11.4497","0.0009","90","","99.704","0.002","90","","2706.6","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-bis(4-ethynyl-N-methyl-3-iodopyridinium)benzene bis(perrhenate)","","- C22 H16 I2 N2 O8 Re2 -","- C22 H16 I2 N2 O8 Re2 -","- C88 H64 I8 N8 O32 Re8 -","4","1","","Massena, Casey J.; Riel, Asia Marie S.; Neuhaus, George F.; Decato, Daniel A.; Berryman, Orion B.","Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.","Chemical communications (Cambridge, England)","2015","51","8","1417","1420","10.1039/c4cc09242b","","x-ray","0.71073","MoKα","","0.058","0.0477","","","0.1068","0.1108","","","","","","1.131","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116227","5.0119","0.0011","7.769","0.0017","9.995","0.002","90","","102.595","0.003","90","","379.81","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","JU102","","- Al H5 Mg O10 P2 -","- Al H5 Mg O10 P2 -","- Al2 H10 Mg2 O20 P4 -","2","1","","Mu, Ying; Wang, Yanyan; Li, Yi; Li, Jiyang; Yu, Jihong","Organotemplate-free synthesis of an open-framework magnesium aluminophosphate with proton conduction properties.","Chemical communications (Cambridge, England)","2015","51","11","2149","2151","10.1039/c4cc08964b","","","0.71073","MoKα","","0.0252","0.0243","","","0.0616","0.0623","","","","","","1.114","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116228","9.4323","0.0001","10.403","0.0001","21.195","0.0002","90","","90","","90","","2079.74","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-([1,1'-biphenyl]-2-yl(1H-indol-3-yl)methyl)-4-methoxyphenol","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Saha, Satyajit; Alamsetti, Santosh Kumar; Schneider, Christoph","Chiral Brønsted acid-catalyzed Friedel-Crafts alkylation of electron-rich arenes with in situ-generated ortho-quinone methides: highly enantioselective synthesis of diarylindolylmethanes and triarylmethanes.","Chemical communications (Cambridge, England)","2015","51","8","1461","1464","10.1039/c4cc08559k","","x-ray","1.54184","CuKα","","0.0269","0.0266","","","0.068","0.0684","","","","","","1.054","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116229","7.1125","0.0006","11.3143","0.0008","29.525","0.002","90","","95.838","0.002","90","","2363.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe2 N2 O2 S -","- C28 H26 Fe2 N2 O2 S -","- C112 H104 Fe8 N8 O8 S4 -","4","1","","Förster, Christoph; Veit, Philipp; Ksenofontov, Vadim; Heinze, Katja","Diferrocenyl tosyl hydrazone with an ultrastrong NHFe hydrogen bond as double click switch.","Chemical communications (Cambridge, England)","2015","51","8","1514","1516","10.1039/c4cc08868a","","","0.71073","MoKα","","0.0551","0.032","","","0.0649","0.0691","","","","","","0.913","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116230","8.7151","0.0012","8.7151","0.0012","19.011","0.004","90","","90","","120","","1250.5","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co K N10 -","- C15.96 H9.96 Co K N6 -","- C47.88 H29.88 Co3 K3 N18 -","3","0.0833333","","Zhang, Xi; Shao, Xiu-Dan; Li, Si-Chao; Cai, Ying; Yao, Ye-Feng; Xiong, Ren-Gen; Zhang, Wen","Dynamics of a caged imidazolium cation-toward understanding the order-disorder phase transition and the switchable dielectric constant.","Chemical communications (Cambridge, England)","2015","51","22","4568","4571","10.1039/c4cc08693g","","","0.71073","MoKα","","0.0418","0.0302","","","0.095","0.0969","","","","","","1.327","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116231","13.427","0.003","8.7318","0.0017","15.083","0.003","90","","111.7","0.03","90","","1643","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co K N10 -","- C12 H10 Co K N10 -","- C48 H40 Co4 K4 N40 -","4","0.5","","Zhang, Xi; Shao, Xiu-Dan; Li, Si-Chao; Cai, Ying; Yao, Ye-Feng; Xiong, Ren-Gen; Zhang, Wen","Dynamics of a caged imidazolium cation-toward understanding the order-disorder phase transition and the switchable dielectric constant.","Chemical communications (Cambridge, England)","2015","51","22","4568","4571","10.1039/c4cc08693g","","","0.71073","MoKα","","0.0666","0.0614","","","0.1286","0.1311","","","","","","1.113","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116232","10.9203","0.0009","12.3994","0.001","13.6076","0.0012","94.079","0.003","99.826","0.003","110.183","0.003","1687.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N1,N2-bis(diphenylboranyl)-3,6-di(1H-pyrazol-1-yl)1,2-diaminobenzen","","- C39 H36 B2 N6 O -","- C39 H36 B2 N6 O -","- C78 H72 B4 N12 O2 -","2","1","","Fu, Yubin; Qiu, Feng; Zhang, Fan; Mai, Yiyong; Wang, Yingchao; Fu, Shibo; Tang, Ruizhi; Zhuang, Xiaodong; Feng, Xinliang","A dual-boron-cored luminogen capable of sensing and imaging.","Chemical communications (Cambridge, England)","2015","51","25","5298","5301","10.1039/c4cc08551e","","","0.71073","MoKα","","0.1243","0.0529","","","0.1154","0.1538","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116233","6.8289","0.0007","13.5136","0.0012","12.1421","0.0011","90","","106.143","0.002","90","","1076.33","0.18","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C48 H46 N6 O8 -","2","1","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Zhang, Juan-Juan; Huang, Zhi-Bin; Shi, Da-Qing","Highly selective synthesis of functionalized polyhydroisoquinoline derivatives via a three-component domino reaction.","Chemical communications (Cambridge, England)","2015","51","8","1528","1531","10.1039/c4cc08900f","","","0.71073","MoKα","","0.1146","0.0544","","","0.071","0.0817","","","","","","0.908","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116234","18.9871","0.0017","18.0668","0.0016","12.546","0.0011","90","","94.438","0.001","90","","4290.8","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C200 H200 N24 O24 -","8","2","","Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Zhang, Juan-Juan; Huang, Zhi-Bin; Shi, Da-Qing","Highly selective synthesis of functionalized polyhydroisoquinoline derivatives via a three-component domino reaction.","Chemical communications (Cambridge, England)","2015","51","8","1528","1531","10.1039/c4cc08900f","","","0.71073","MoKα","","0.1807","0.054","","","0.0692","0.0846","","","","","","0.884","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116235","31.939","0.003","18.8704","0.0016","32.73","0.003","90","","117.116","0.002","90","","17558","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H184 Cu27 N20 O104 -","- C100.5 H135.62 Cu27 N20 O99.5 -","- C402 H542.48 Cu108 N80 O398 -","4","1","","Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","A magnetically highly frustrated Cu(II)27 coordination cluster containing a Cu18 folded-sheet motif.","Chemical communications (Cambridge, England)","2015","51","13","2702","2705","10.1039/c4cc09469g","","","0.8","synchrotron","","0.063","0.0507","","","0.139","0.149","","","","","","1.046","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116236","9.5036","0.0004","11.1664","0.0004","12.3553","0.0005","87.908","0.001","83.391","0.001","82.468","0.001","1290.9","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C28 H30 I2 N2 O -","- C28 H30 I2 N2 O -","- C56 H60 I4 N4 O2 -","2","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0194","0.0158","","","0.0359","0.0378","","","","","","1.109","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116237","7.8813","0.0002","16.2049","0.0004","19.5829","0.0005","90","","99.067","0.001","90","","2469.79","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 I2 N2 -","- C27 H26 I2 N2 -","- C108 H104 I8 N8 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0269","0.0217","","","0.0452","0.0471","","","","","","1.016","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116238","8.2074","0.0006","16.4498","0.0011","19.3506","0.0012","70.455","0.002","86.37","0.002","77.9","0.002","2407.2","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C57 H52 N4 O8 S2 -","- C57 H52 N4 O8 S2 -","- C114 H104 N8 O16 S4 -","2","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0868","0.0527","","","0.1265","0.1413","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7116239","12.8456","0.0003","13.7518","0.0003","21.796","0.0004","75.143","0.001","84.454","0.001","87.583","0.001","3703.52","0.14","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C37.5 H33.5 F6 N2.5 O8 S2 -","- C37.5 H33.5 F6 N2.5 O8 S2 -","- C150 H134 F24 N10 O32 S8 -","4","2","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0732","0.0455","","","0.1034","0.1164","","","","","","1.02","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7116240","14.2532","0.0009","8.9518","0.0005","21.2552","0.0012","90","","92.286","0.002","90","","2709.8","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F6 N2 O6 S2 -","- C26 H26 F6 N2 O6 S2 -","- C104 H104 F24 N8 O24 S8 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0411","0.0339","","","0.0878","0.0928","","","","","","1.027","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116241","9.0232","0.0004","12.5214","0.0006","14.3223","0.0006","101.78","0.002","106.423","0.001","101.248","0.002","1463.38","0.12","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C27.5 H29 F6 N2 O6.5 S2 -","- C27.5 H29 F6 N2 O6.5 S2 -","- C55 H58 F12 N4 O13 S4 -","2","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0399","0.0361","","","0.0927","0.0959","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116242","8.753","0.0002","13.2791","0.0004","19.75","0.0006","90","","90","","90","","2295.58","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 I2 N2 -","- C24 H26 I2 N2 -","- C96 H104 I8 N8 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0216","0.0197","","","0.0445","0.0452","","","","","","1.039","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116243","27.6754","0.0009","10.0575","0.0003","14.6734","0.0006","90","","90","","90","","4084.3","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 2","P 2 2ab","18","","","","- C24 H26 Br2 N2 -","- C24 H26 Br2 N2 -","- C144 H156 Br12 N12 -","6","1.5","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0611","0.0409","","","0.0732","0.0772","","","","","","0.936","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116244","12.7303","0.0004","12.7933","0.0005","14.8125","0.0006","90","","90","","90","","2412.4","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br2 N2 O3 -","- C24 H32 Br2 N2 O3 -","- C96 H128 Br8 N8 O12 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.035","0.0272","","","0.0529","0.0547","","","","","","1.027","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116245","25.3083","0.0018","17.1165","0.0012","42.198","0.003","90","","90","","90","","18280","2","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C44 H44 F6 N4 O6 S2 -","- C44 H44 F6 N4 O6 S2 -","- C704 H704 F96 N64 O96 S32 -","16","2","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.1946","0.1056","","","0.2538","0.2946","","","","","","1.05","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116246","10.9183","0.0003","13.1838","0.0003","15.8627","0.0003","69.603","0.001","77.874","0.001","78.155","0.001","2070.59","0.08","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C44 H44 F6 N4 O6 S2 -","- C44 H44 F6 N4 O6 S2 -","- C88 H88 F12 N8 O12 S4 -","2","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0526","0.0405","","","0.104","0.1134","","","","","","1.027","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116247","13.5867","0.0004","14.1603","0.0004","19.3953","0.0006","87.9609","0.001","76.1122","0.001","86.1412","0.0011","3613.48","0.19","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C39 H34 I2 N2 O -","- C39 H34 I2 N2 O -","- C156 H136 I8 N8 O4 -","4","2","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0798","0.0441","","","0.0737","0.0811","","","","","","0.937","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116248","7.7728","0.0002","23.8635","0.0006","36.1252","0.0008","90","","90","","90","","6700.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P b c a","-P 2ac 2ab","61","","","","- C42 H34 I2 N2 -","- C42 H34 I2 N2 -","- C336 H272 I16 N16 -","8","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0791","0.0611","","","0.1264","0.1329","","","","","","1.269","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116249","13.3242","0.0004","13.3242","0.0004","24.3016","0.0009","90","","90","","90","","4314.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 42 21 2","P 4n 2n","94","","","","- C42 H44 Cl2 N4 O8 -","- C42 H44 Cl2 N4 O8 -","- C168 H176 Cl8 N16 O32 -","4","0.5","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.1721","0.1219","","","0.3303","0.3585","","","","","","1.266","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116250","6.778","0.003","7.572","0.003","13.356","0.005","90.423","0.006","93.298","0.007","102.31","0.006","668.5","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H11 N O9 P S Y -","- C9 H11 N O9 P S Y -","- C18 H22 N2 O18 P2 S2 Y2 -","2","1","","Zeng, Dai; Ren, Min; Bao, Song-Song; Feng, Jian-Shen; Li, Li; Zheng, Li-Min","pH-controlled polymorphism in a layered dysprosium phosphonate and its impact on the magnetization relaxation.","Chemical communications (Cambridge, England)","2015","51","13","2649","2652","10.1039/c4cc09341k","","","0.71073","MoKα","","0.0885","0.0601","","","0.1378","0.1533","","","","","","1.007","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116251","8.6275","0.0016","12.005","0.002","8.3466","0.0015","90","","118.08","0.005","90","","762.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-SC-2 2,3,5,6-Me4-pyrazine-1,4-dioxide, I-(CF2)2-I","","- C10 H12 F4 I2 N2 O2 -","- C10 H12 F4 I2 N2 O2 -","- C20 H24 F8 I4 N4 O4 -","2","0.5","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0244","0.0227","","","0.0517","0.0527","","","","","","1.039","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116252","5.3515","0.0005","11.1482","0.0011","12.0159","0.0012","85.076","0.002","80.408","0.003","84.424","0.002","701.72","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","JB-1-2 pyrazine 1-oxide, I-(CF2)4-I","","- C8 H4 F8 I2 N2 O -","- C8 H4 F8 I2 N2 O -","- C16 H8 F16 I4 N4 O2 -","2","1","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0291","0.0258","","","0.0691","0.0723","","","","","","1.128","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116253","9.3817","0.001","12.862","0.0014","8.1127","0.0009","90","","110.521","0.003","90","","916.82","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","JB-1-34 2,3,5,6-Me4-pyrazine-1,4-dioxide, I-(CF2)4-I","","- C12 H12 F8 I2 N2 O2 -","- C12 H12 F8 I2 N2 O2 -","- C24 H24 F16 I4 N4 O4 -","2","0.5","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0256","0.023","","","0.0599","0.0615","","","","","","1.082","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116254","12.3893","0.0014","12.6332","0.0014","13.1553","0.0014","67.319","0.004","75.273","0.004","67.884","0.004","1745.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","JB-1-35 2,3,5,6-Me4-pyrazine-1,4-dioxide, [I-(CF2)6-I]2","","- C20 H12 F24 I4 N2 O2 -","- C20 H12 F24 I4 N2 O2 -","- C40 H24 F48 I8 N4 O4 -","2","1","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0513","0.0421","","","0.1148","0.1218","","","","","","0.993","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116255","3.8328","0.0009","10.291","0.003","10.396","0.003","90","","98.77","0.009","90","","405.26","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TW-Pyr-bis-N-oxide 2,3,5,6-Me4-pyrazine-1,4-dioxideC8 H12 N2 O2","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C16 H24 N4 O4 -","2","0.5","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0578","0.0456","","","0.1251","0.1333","","","","","","1.103","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116256","5.1637","0.0009","16.705","0.003","9.1021","0.0016","90","","98.398","0.006","90","","776.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TW-4py-der 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole","","- C18 H16 N6 -","- C18 H16 N6 -","- C36 H32 N12 -","2","0.5","","Aakeröy, Christer B; Wijethunga, Tharanga K.; Benton, Joshua; Desper, John","Stabilizing volatile liquid chemicals using co-crystallization.","Chemical communications (Cambridge, England)","2015","51","12","2425","2428","10.1039/c4cc09650a","","","0.71073","MoKα","","0.0563","0.0482","","","0.1543","0.1653","","","","","","1.319","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116257","15.7155","0.0008","20.8328","0.001","21.8429","0.0011","90","","90","","90","","7151.3","0.6","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H50 N2 Ni O4 -","- C37 H50 N2 Ni O4 -","- C296 H400 N16 Ni8 O32 -","8","2","","Shi, Xincui; Sui, Aiguo; Wang, Yongxia; Li, Yuesheng; Geng, Yanhou; Wang, Fosong","Controlled synthesis of high molecular weight poly(3-hexylthiophene)s via Kumada catalyst transfer polycondensation with Ni(IPr)(acac)2 as the catalyst.","Chemical communications (Cambridge, England)","2015","51","11","2138","2140","10.1039/c4cc08012b","","","0.71073","MoKα","","0.0858","0.0671","","","0.1741","0.1924","","","","","","1.061","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116258","16.5769","0.0004","15.1415","0.0003","10.0908","0.0002","90","","90","","90","","2532.78","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Dipropylammonium perchlorate 18-crown-6","","","- C18 H40 Cl N O10 -","- C18 H40 Cl N O10 -","- C72 H160 Cl4 N4 O40 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","1.54184","CuKα","","0.0578","0.0469","","","0.127","0.1367","","","","","","1.059","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116259","10.031","0.006","15.109","0.009","16.199","0.01","90","","90","","90","","2455","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dipropylammonium perchlorate 18-crown-6","","","- C18 H40 Cl N O10 -","- C18 H40 Cl N O10 -","- C72 H160 Cl4 N4 O40 -","4","1","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.0482","0.0376","","","0.0903","0.1329","","","","","","1.077","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116260","16.3536","0.0011","8.6485","0.0005","7.7268","0.0005","90","","90","","90","","1092.83","0.12","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C24 H64 Cl4 N4 O16 -","4","0.25","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","1.54184","CuKα","","0.0762","0.0723","","","0.2089","0.2176","","","","","","1.116","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116261","8.5346","0.0003","7.5928","0.0003","16.1352","0.0006","90","","90","","90","","1045.59","0.07","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4.002 -","- C24 H64 Cl4 N4 O16.008 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.0454","0.0346","","","0.083","0.0894","","","","","","1.078","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116262","7.4714","0.0008","16.0278","0.0018","8.4874","0.0009","90","","90","","90","","1016.37","0.19","100","2","100","2","","","","","","","","5","P m c n","-P 2n 2a","62","(Dipropylammonium)(ClO4)","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4.008 -","- C24 H64 Cl4 N4 O16.032 -","4","0.5","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.1154","0.1108","","","0.3618","0.364","","","","","","1.265","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116263","21.1314","0.0015","15.228","0.0011","18.2607","0.0013","90","","110.133","0.001","90","","5517","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PgC3, bpy, MeCN","c-propylpyrogallol[4]arene, 4,4'-bipyridine, acetonitrile","","- C62 H67 N5 O12 -","- C62 H67 N5 O12 -","- C248 H268 N20 O48 -","4","1","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","0.71073","MoKα","","0.0679","0.049","","","0.1187","0.1312","","","","","","1.047","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116264","23.451","0.004","16.433","0.003","16.899","0.003","90","","90","","90","","6512","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","PgC3, bpa, Toluene, MeCN","c-pyrogallol[4]arene, 1,2-Bis(4-pyridyl)acetylene, Toluene, acetonitrile","","- C73 H75 N5 O12 -","- C73 H75 N5 O12 -","- C292 H300 N20 O48 -","4","1","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","0.71073","MoKα","","0.0619","0.0526","","","0.136","0.1437","","","","","","1.032","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116265","21.6686","0.0008","21.6686","0.0008","15.3857","0.0007","90","","90","","90","","7224","0.5","100","2","100","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","PgC1, bpy, MeCN","C-methylpyrogallol[4]arene, 4,4'-bipyridine, Acetonitrile","","- C79 H64 N10 O12 -","- C79 H64 N10 O12 -","- C316 H256 N40 O48 -","4","0.25","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","1.54178","CuKα","","0.0785","0.0727","","","0.218","0.2274","","","","","","1.111","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116266","20.8301","0.0009","12.6507","0.0006","29.0453","0.0013","90","","107.332","0.002","90","","7306.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PgC3, bpa, Acetone, MeCN","c-pyrogallol[4]arene, 1,2-Bis(4-pyridyl)acetylene, Acetone, acetonitrile","","- C85 H73 N9 O13 -","- C85 H70 N9 O13 -","- C340 H280 N36 O52 -","4","0.5","","Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers.","Chemical communications (Cambridge, England)","2015","51","12","2304","2307","10.1039/c4cc08388a","","","1.54178","CuKα","","0.0618","0.0563","","","","0.1445","","","","","","1.105","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116267","12.6592","0.0005","14.0662","0.0005","14.2052","0.0005","77.951","0.003","88.733","0.003","85.817","0.003","2467.1","0.16","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H80 B2 F48 O7 Zn2 -","- C92 H80 B2 F48 O7 Zn2 -","- C92 H80 B2 F48 O7 Zn2 -","1","0.5","","Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","A solvated zinc analogue of the calomel-dication.","Chemical communications (Cambridge, England)","2015","51","11","2170","2172","10.1039/c4cc08850f","","","1.54184","CuKα","","0.0773","0.0608","","","0.1595","0.176","","","","","","1.026","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116268","13.0001","0.0004","13.4282","0.0004","14.1449","0.0005","102.57","0.003","115.154","0.003","91.67","0.003","2160.73","0.14","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C76 H60 B2 F48 P4 Zn -","- C76 H60 B2 F48 P4 Zn -","- C76 H60 B2 F48 P4 Zn -","1","1","","Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","A solvated zinc analogue of the calomel-dication.","Chemical communications (Cambridge, England)","2015","51","11","2170","2172","10.1039/c4cc08850f","","","1.54184","CuKα","","0.0509","0.049","","","0.1292","0.1309","","","","","","1.023","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116269","15.1012","0.0005","16.1231","0.0005","24.7275","0.0007","90","","102.147","0.003","90","","5885.8","0.3","116","2","116","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H62 B2 Cl8 F48 N6 Zn2 -","- C110 H62 B2 Cl8 F48 N6 Zn2 -","- C220 H124 B4 Cl16 F96 N12 Zn4 -","2","0.5","","Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","A solvated zinc analogue of the calomel-dication.","Chemical communications (Cambridge, England)","2015","51","11","2170","2172","10.1039/c4cc08850f","","","1.54184","CuKα","","0.1149","0.0951","","","0.2819","0.3105","","","","","","1.077","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116270","7.8602","0.0006","8.4121","0.0008","9.3329","0.0007","102.282","0.007","108.921","0.007","93.927","0.007","564.05","0.09","294.9","0.5","294.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","","Wang, Bao-Juan; Xue, Ping; Gu, Peiming","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes.","Chemical communications (Cambridge, England)","2015","51","12","2277","2279","10.1039/c4cc07166b","","","0.71073","MoKα","","0.0943","0.0725","","","0.197","0.2175","","","","","","1.09","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116271","17.485","0.002","10.6501","0.0011","13.4479","0.0014","90","","97.808","0.011","90","","2481","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl N O -","- C14 H14 Cl N O -","- C112 H112 Cl8 N8 O8 -","8","1","","Wang, Bao-Juan; Xue, Ping; Gu, Peiming","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes.","Chemical communications (Cambridge, England)","2015","51","12","2277","2279","10.1039/c4cc07166b","","x-ray","1.54184","CuKα","","0.0677","0.0527","","","0.1953","0.2273","","","","","","1.13","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116272","15.3778","0.0003","27.5062","0.0005","17.4435","0.0003","90","","102.004","0.002","90","","7217","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","pw3-24","","- C16 H30 Cl5 N4 Sb -","- C16 H30 Cl5 N4 Sb -","- C192 H360 Cl60 N48 Sb12 -","12","3","","Wang, Ze-Ping; Wang, Jin-Yun; Li, Jian-Rong; Feng, Mei-Ling; Zou, Guo-Dong; Huang, Xiao-Ying","[Bmim]2SbCl5: a main group metal-containing ionic liquid exhibiting tunable photoluminescence and white-light emission.","Chemical communications (Cambridge, England)","2015","51","15","3094","3097","10.1039/c4cc08825e","","","0.71073","MoKα","","0.0249","0.0227","","","0.0526","0.0544","","","","","","1","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116273","10.5549","0.0009","13.6694","0.0012","19.151","0.0016","90","","94.31","0.001","90","","2755.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 F6 I2 O7 S2 -","- C23 H16 F6 I2 O7 S2 -","- C92 H64 F24 I8 O28 S8 -","4","1","","Dempsey Hyatt, I. F.; Nasrallah, Daniel J.; Maxwell, Michael A.; Hairston, A Christina F; Abdalhameed, Manahil M.; Croatt, Mitchell P.","Formation and in situ reactions of hypervalent iodonium alkynyl triflates to form cyanocarbenes.","Chemical communications (Cambridge, England)","2015","51","25","5287","5289","10.1039/c4cc08676g","","","0.71073","MoKα","","0.0664","0.0552","","","0.1399","0.1483","","","","","","1.108","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116274","17.7349","0.0006","17.7349","0.0006","28.1732","0.001","90","","90","","90","","8861.2","0.5","100","2","100","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C19 H9 N2 O10 Zn2 -","- C19 H9 N2 O10 Zn2 -","- C152 H72 N16 O80 Zn16 -","8","0.5","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1149","0.0703","","","0.186","0.2089","","","","","","1.093","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7116275","25.5552","0.0011","25.5552","0.0011","51.403","0.002","90","","90","","90","","33570","2","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C19 H9 N2 O10 Zn2 -","- C19 H9 N2 O10 Zn2 -","- C608 H288 N64 O320 Zn64 -","32","1","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1422","0.0976","","","0.2784","0.3065","","","","","","1.064","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116276","25.444","0.0014","25.444","0.0014","53.616","0.003","90","","90","","90","","34711","3","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C19 H9 N2 O10 Zn2 -","- C19 H9 N2 O10 Zn2 -","- C608 H288 N64 O320 Zn64 -","32","1","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1433","0.0707","","","0.167","0.1925","","","","","","1.03","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116277","17.7179","0.0007","17.7179","0.0007","27.5566","0.0013","90","","90","","90","","8650.7","0.6","100","2","100","2","","","","","","","","5","P 42/n n m :2","-P 4ac 2bc","134","","","","- C19 H9 Cu2 N2 O10 -","- C19 H9 Cu2 N2 O10 -","- C152 H72 Cu16 N16 O80 -","8","0.5","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1075","0.0778","","","0.2123","0.2355","","","","","","1.102","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116278","25.4117","0.0014","25.4117","0.0014","52.162","0.006","90","","90","","90","","33684","5","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C19 H9 Cu2 N2 O10 -","- C19 H9 Cu2 N2 O10 -","- C608 H288 Cu64 N64 O320 -","32","1","","Sen, Susan; Neogi, Subhadip; Rissanen, Kari; Bharadwaj, Parimal K.","Solvent induced single-crystal to single-crystal structural transformation and concomitant transmetalation in a 3D cationic Zn(ii)-framework.","Chemical communications (Cambridge, England)","2015","51","15","3173","3176","10.1039/c4cc09955a","","","0.71073","MoKα","","0.1595","0.0692","","","0.1574","0.1873","","","","","","1.034","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116279","12.4596","0.0001","27.6079","0.0002","20.0624","0.0002","90","","104.466","0.001","90","","6682.34","0.1","123","1","123","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 B Cl6 Cu3 F4 P6 -","- C66 H62 B Cl6 Cu3 F4 P6 -","- C264 H248 B4 Cl24 Cu12 F16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","1.54178","CuKα","","0.0369","0.0299","","","0.0869","0.095","","","","","","1.123","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116280","12.8855","0.0001","43.5442","0.0004","14.9499","0.0001","90","","95.216","0.001","90","","8353.49","0.12","123","1","123","1","","","","","","","see text","9","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 B Cl6 Cu3 F4 Mo2 O4 P8 -","- C80 H72 B Cl6 Cu3 F4 Mo2 O4 P8 -","- C320 H288 B4 Cl24 Cu12 F16 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","1.54178","CuKα","","0.0548","0.0506","","","0.1293","0.1315","","","","","","1.065","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116281","12.888","0.0002","43.5784","0.0005","15.0001","0.0002","90","","95.152","0.002","90","","8390.6","0.2","123","1","123","1","","","","","","","see text","10","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 As2 B Cl6 Cu3 F4 Mo2 O4 P6 -","- C80 H72 As2 B Cl6 Cu3 F4 Mo2 O4 P6 -","- C320 H288 As8 B4 Cl24 Cu12 F16 Mo8 O16 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","1.54178","CuKα","","0.0534","0.0465","","","0.1178","0.1214","","","","","","1.037","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116282","12.5098","0.0003","25.2944","0.0006","27.8308","0.0005","90","","97.692","0.002","90","","8727.2","0.3","123","1","123","1","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H73 B Cl2 Cu3 F4 Fe P11 -","- C74 H73 B Cl2 Cu3 F4 Fe P11 -","- C296 H292 B4 Cl8 Cu12 F16 Fe4 P44 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.122","0.1272","","","","","","1.045","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116283","12.5858","0.0001","24.4849","0.0002","27.9362","0.0002","90","","98.748","0.001","90","","8508.73","0.12","123","1","123","1","","","","","","","see text","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H77 As5 B Cl6 Cu3 F4 Fe P6 -","- C76 H77 As5 B Cl6 Cu3 F4 Fe P6 -","- C304 H308 As20 B4 Cl24 Cu12 F16 Fe4 P24 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","1.54178","CuKα","","0.0549","0.0379","","","0.1016","0.1065","","","","","","0.96","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116284","12.7414","0.0004","13.4211","0.0004","21.404","0.0007","85.562","0.003","72.949","0.003","79.079","0.003","3435","0.2","150","","150","","","","","","","","see text","8","P -1","-P 1","2","","","","- C68 H64 B Cl2 Cu3 F4 N2 P6 -","- C68 H64 B Cl2 Cu3 F4 N2 P6 -","- C136 H128 B2 Cl4 Cu6 F8 N4 P12 -","2","1","","Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred","Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.","Chemical communications (Cambridge, England)","2015","51","14","2893","","10.1039/c4cc09845e","","x-ray","0.71073","MoKα","","0.0831","0.0539","","","0.1417","0.1549","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7116285","9.9451","0.0006","10.9422","0.0005","18.8339","0.0011","90","","90.772","0.006","90","","2049.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Huang, Ji-Rong; Qin, Liu; Zhu, Yu-Qin; Song, Qiang; Dong, Lin","Multi-site cyclization via initial C-H activation using a rhodium(iii) catalyst: rapid assembly of frameworks containing indoles and indolines.","Chemical communications (Cambridge, England)","2015","51","14","2844","","10.1039/c4cc07125e","","","0.71073","MoKα","","0.0701","0.0453","","","0.1072","0.1227","","","","","","1.022","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116286","9.6847","0.0007","10.6101","0.0008","12.7428","0.001","82.268","0.006","87.114","0.006","75.081","0.007","1253.58","0.17","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl3 N O2 Si -","- C26 H24 Cl3 N O2 Si -","- C52 H48 Cl6 N2 O4 Si2 -","2","1","","Huang, Ji-Rong; Qin, Liu; Zhu, Yu-Qin; Song, Qiang; Dong, Lin","Multi-site cyclization via initial C-H activation using a rhodium(iii) catalyst: rapid assembly of frameworks containing indoles and indolines.","Chemical communications (Cambridge, England)","2015","51","14","2844","","10.1039/c4cc07125e","","","0.71073","MoKα","","0.077","0.0556","","","0.1246","0.1426","","","","","","1.022","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116287","7.1166","0.0005","11.566","0.0008","25.5436","0.0018","90","","91.39","0.005","90","","2101.9","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Al2 Cl10 N2 -","- C10 H6 Al2 Cl10 N2 -","- C40 H24 Al8 Cl40 N8 -","4","1","","Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.","Regioselective electrophilic borylation of haloarenes.","Chemical communications (Cambridge, England)","2015","51","14","2878","","10.1039/c4cc10153g","","","0.7107","MoKα","","0.104","0.0638","","","0.0961","0.112","","","","","","1.074","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116288","7.2646","0.0004","13.5445","0.0008","14.7907","0.0007","90","","97.625","0.005","90","","1442.47","0.14","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Al B Cl8 N -","- C5 H3 Al B Cl8 N -","- C20 H12 Al4 B4 Cl32 N4 -","4","1","","Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.","Regioselective electrophilic borylation of haloarenes.","Chemical communications (Cambridge, England)","2015","51","14","2878","","10.1039/c4cc10153g","","","0.7107","MoKα","","0.0442","0.0376","","","0.0883","0.0932","","","","","","1.055","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116289","13.8821","0.0008","7.6711","0.0004","12.4528","0.0006","90","","92.002","0.005","90","","1325.3","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-bromo-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C12 H15 B Br F O2 -","- C12 H15 B Br F O2 -","- C48 H60 B4 Br4 F4 O8 -","4","1","","Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.","Regioselective electrophilic borylation of haloarenes.","Chemical communications (Cambridge, England)","2015","51","14","2878","","10.1039/c4cc10153g","","x-ray","0.71073","MoKα","","0.0747","0.0523","","","0.0995","0.1105","","","","","","1.028","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116290","13.8661","0.0007","7.502","0.0004","12.4291","0.0008","90","","92.422","0.005","90","","1291.76","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C12 H15 B Cl F O2 -","- C12 H15 B Cl F O2 -","- C48 H60 B4 Cl4 F4 O8 -","4","1","","Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.","Regioselective electrophilic borylation of haloarenes.","Chemical communications (Cambridge, England)","2015","51","14","2878","","10.1039/c4cc10153g","","x-ray","0.71073","MoKα","","0.0837","0.0547","","","0.1038","0.123","","","","","","1.033","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116291","4.6152","0.0007","11.558","0.001","14.422","0.002","80.38","0.01","88.11","0.01","86.45","0.01","756.83","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C6_Nt$n_Form A","","","- C32 H32 N2 O4 S4 -","- C32 H32 N2 O4 S4 -","- C32 H32 N2 O4 S4 -","1","0.5","","Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela","Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.","Chemical communications (Cambridge, England)","2015","51","11","2033","2035","10.1039/c4cc09177a","","","0.71073","MoKα","","0.1723","0.089","","","0.161","0.2032","","","","","","1.048","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116292","5.265","0.001","5.473","0.005","22.49","0.03","87.9","0.1","87.4","0.06","87.05","0.06","646.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C3-NT4N form B high temperature","","","- C13 H10 N O2 S2 -","- C13 H10 N O2 S2 -","- C26 H20 N2 O4 S4 -","2","1","","Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela","Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.","Chemical communications (Cambridge, England)","2015","51","11","2033","2035","10.1039/c4cc09177a","","","0.71073","MoKα","","0.1256","0.0693","","","0.1118","0.1322","","","","","","1.063","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116293","5.127","0.003","5.526","0.002","25.038","0.002","84.04","0.03","89.75","0.04","86.19","0.07","704","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","C4_NT4N form B","","C4-NT4N form B","- C28 H24 N2 O4 S4 -","- C28 H24 N2 O4 S4 -","- C28 H24 N2 O4 S4 -","1","0.5","","Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela","Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.","Chemical communications (Cambridge, England)","2015","51","11","2033","2035","10.1039/c4cc09177a","powder diffraction","","1.5418","CuKα","","","","","","","","","0.01613","2.863","","","","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116294","5.289","0.002","5.474","0.002","25.81","0.02","85.15","0.05","84.36","0.04","87.27","0.03","740.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C5-NT4N","","","- C30 H28 N2 O4 S4 -","- C30 H28 N2 O4 S4 -","- C30 H28 N2 O4 S4 -","1","0.5","","Maini, Lucia; Gallino, Federico; Zambianchi, Massimo; Durso, Margherita; Gazzano, Massimo; Rubini, Katia; Gentili, Denis; Manet, Ilse; Muccini, Michele; Toffanin, Stefano; Cavallini, Massimiliano; Melucci, Manuela","Chemical design enables the control of conformational polymorphism in functional 2,3-thieno(bis)imide-ended materials.","Chemical communications (Cambridge, England)","2015","51","11","2033","2035","10.1039/c4cc09177a","","","0.7107","MoKα","","0.3652","0.139","","","0.2936","0.4279","","","","","","0.996","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116295","6.1546","0.0002","15.4938","0.0006","28.98","0.0011","90","","90","","90","","2763.48","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N S2 -","- C15 H13 N S2 -","- C120 H104 N8 S16 -","8","1","","Xiao, Xiao; Feng, Minghao; Jiang, Xuefeng","Transition-metal-free persulfuration to construct unsymmetrical disulfides and mechanistic study of the sulfur redox process.","Chemical communications (Cambridge, England)","2015","51","20","4208","4211","10.1039/c4cc09633a","","","0.71073","MoKα","","0.0641","0.038","","","0.089","0.1029","","","","","","1.021","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116296","10.1609","0.0011","14.3305","0.0015","10.5313","0.0011","90","","94.541","0.004","90","","1528.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Br O2 S2 -","- C14 H13 Br O2 S2 -","- C56 H52 Br4 O8 S8 -","4","1","","Xiao, Xiao; Feng, Minghao; Jiang, Xuefeng","Transition-metal-free persulfuration to construct unsymmetrical disulfides and mechanistic study of the sulfur redox process.","Chemical communications (Cambridge, England)","2015","51","20","4208","4211","10.1039/c4cc09633a","","","0.71073","MoKα","","0.0621","0.0406","","","0.0885","0.099","","","","","","0.983","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116297","15.245","0.004","6.6576","0.0017","15.228","0.004","90","","118.268","0.007","90","","1361.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","","Xiao, Xiao; Feng, Minghao; Jiang, Xuefeng","Transition-metal-free persulfuration to construct unsymmetrical disulfides and mechanistic study of the sulfur redox process.","Chemical communications (Cambridge, England)","2015","51","20","4208","4211","10.1039/c4cc09633a","","","0.71073","MoKα","","0.0825","0.0473","","","0.1093","0.1301","","","","","","1.032","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116298","27.8","0.004","8.1692","0.0014","10.9466","0.0018","90","","98.172","0.006","90","","2460.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20120034","3aa","","- C32 H23 N3 O4 -","- C32 H23 N3 O4 -","- C128 H92 N12 O16 -","4","1","","Jia, Jinlong; Shi, Jingjing; Zhou, Jie; Liu, Xuelei; Song, Yanling; Xu, H. Eric; Yi, Wei","Rhodium(iii)-catalyzed C-H activation and intermolecular annulation with terminal alkynes: from indoles to carbazoles.","Chemical communications (Cambridge, England)","2015","51","14","2925","","10.1039/c4cc09823d","","","0.71073","MoKα","","0.0673","0.0429","","","0.1076","0.1225","","","","","","1.023","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116299","12.6963","0.0019","12.933","0.002","19.631","0.003","85.538","0.005","79.98","0.005","85.472","0.006","3157.6","0.8","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H54 B F24 P Ru -","- C67 H54 B F24 P Ru -","- C134 H108 B2 F48 P2 Ru2 -","2","1","","Takano, Koichi; Ikeda, Yousuke; Kodama, Shintaro; Ishii, Youichi","Remote rearrangement of the metal center in a (η(6)-C6Me6)Ru(ii) complex.","Chemical communications (Cambridge, England)","2015","51","24","4981","4984","10.1039/c4cc09699a","","","0.71075","MoKα","","","0.057","","","","0.1439","","","","","","1.051","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116300","12.467","0.005","14.291","0.006","17.015","0.007","82.854","0.011","79.193","0.012","88.453","0.013","2955","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H52 B F24 P Ru -","- C62 H52 B F24 P Ru -","- C124 H104 B2 F48 P2 Ru2 -","2","1","","Takano, Koichi; Ikeda, Yousuke; Kodama, Shintaro; Ishii, Youichi","Remote rearrangement of the metal center in a (η(6)-C6Me6)Ru(ii) complex.","Chemical communications (Cambridge, England)","2015","51","24","4981","4984","10.1039/c4cc09699a","","","0.71075","MoKα","","","0.0756","","","","0.1911","","","","","","1.026","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116301","11.3613","0.0005","15.8902","0.0006","29.9856","0.0012","90","","90","","90","","5413.4","0.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H27 Br N2 O5 S2 -","- C27 H27 Br N2 O5 S2 -","- C216 H216 Br8 N16 O40 S16 -","8","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.0452","0.0292","","","0.0767","0.0896","","","","","","1.105","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116302","18.254","0.003","9.5783","0.0015","23.967","0.004","90","","97.187","0.002","90","","4157.5","1.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl6 I N2 O5 S2 -","- C35 H35 Cl6 I N2 O5 S2 -","- C140 H140 Cl24 I4 N8 O20 S8 -","4","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.1171","0.0678","","","0.1797","0.2139","","","","","","1.061","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116303","9.9285","0.0007","10.1079","0.0007","10.4705","0.0007","66.69","0.001","76.007","0.001","89.854","0.001","931.25","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","a131207mor1","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C44 H36 N4 O4 S2 -","2","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.0651","0.0458","","","0.1094","0.1206","","","","","","1.04","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116304","6.8453","0.0004","11.1232","0.0007","14.3467","0.0009","95.864","0.001","94.617","0.001","106.163","0.001","1036.91","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","a140201mor2","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.0624","0.0437","","","0.1124","0.1302","","","","","","1.079","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116305","9.5145","0.0009","11.3505","0.001","12.4229","0.0011","79.1933","0.001","86.0059","0.0012","82.605","0.0012","1305.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","a140723mor1","","","- C27 H30 N3 O5 S2 -","- C27 H30 N3 O5 S2 -","- C54 H60 N6 O10 S4 -","2","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.0762","0.0528","","","0.1411","0.162","","","","","","1.044","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116306","11.129","0.0001","10.015","0.0001","16.4841","0.0002","90","","94.211","0.001","90","","1832.31","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O3 -","- C25 H18 O3 -","- C100 H72 O12 -","4","1","","Liang, Renxiao; Jiang, Huanfeng; Zhu, Shifa","An efficient route to highly strained cyclobutenes: indium-catalyzed reactions of enynals with alkynes.","Chemical communications (Cambridge, England)","2015","51","25","5530","5533","10.1039/c4cc08506j","","","1.54178","CuKα","","0.04","0.0366","","","0.096","0.0995","","","","","","1.06","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116307","8.814","0.002","9.199","0.003","24.64","0.007","90","","90","","90","","1997.8","1","173","2","173","2","","","","","","","--","3","P 21 21 21","P 2ac 2ab","19","30julb","30julb","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Mahapatra, Samarpita; Das, Saikat; B, Vijay Kumar","Protecting group free enantiospecific total syntheses of structurally diverse natural products of the tetrahydrocannabinoid family.","Chemical communications (Cambridge, England)","2015","51","14","2871","","10.1039/c4cc08562k","","","0.71073","MoKα","","0.1","0.0526","","","0.1089","0.1227","","","","","","1.083","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116308","29.068","0.004","15.5743","0.0019","28.894","0.004","90","","109.519","0.002","90","","12329","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H77 Ca2 Cl4 N20 O18.5 -","- C45 H60 Ca2 Cl4 N20 O18.5 -","- C360 H480 Ca16 Cl32 N160 O148 -","8","2","","Jiang, Xiaoqing; Yao, Xuyang; Huang, Xinghua; Wang, Qiaochun; Tian, He","A cucurbit[5]uril analogue from dimethylpropanediurea-formaldehyde condensation.","Chemical communications (Cambridge, England)","2015","51","14","2890","","10.1039/c4cc09900a","","","0.71073","MoKα","","0.0753","0.0607","","","0.1756","0.1875","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116309","28.753","0.003","36.229","0.004","14.8139","0.0017","90","","90","","90","","15432","3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H86 Cl N22 O16.5 -","- C53 H72.9998 Cl N22 O16.5 -","- C424 H583.998 Cl8 N176 O132 -","8","1","","Jiang, Xiaoqing; Yao, Xuyang; Huang, Xinghua; Wang, Qiaochun; Tian, He","A cucurbit[5]uril analogue from dimethylpropanediurea-formaldehyde condensation.","Chemical communications (Cambridge, England)","2015","51","14","2890","","10.1039/c4cc09900a","","","0.71073","MoKα","","0.1624","0.1177","","","0.3256","0.3486","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116310","9.7693","0.0004","11.7068","0.0005","21.0929","0.0009","95.8445","0.0019","90.879","0.002","93.088","0.002","2395.79","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H60 Cl3 N4 O6 Si -","- C43 H60 Cl3 N4 O6 Si -","- C86 H120 Cl6 N8 O12 Si2 -","2","1","","Ng, Chun-Fai; Chow, Hak-Fun","A supramolecular ladder polymer prepared by hydrogen bonding-mediated self-assembly of a metallomacrocycle.","Chemical communications (Cambridge, England)","2015","51","12","2349","2352","10.1039/c4cc08817d","","","1.54178","CuKα","","0.1136","0.0826","","","0.2421","0.2739","","","","","","1.029","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116311","10.417","0.005","10","0.005","11.057","0.005","90","","106.396","0.005","90","","1105","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O4 -","- C22 H25 Br N2 O4 -","- C44 H50 Br2 N4 O8 -","2","1","","Jia, Minqiang; Monari, Magda; Yang, Qing-Qing; Bandini, Marco","Enantioselective gold catalyzed dearomative [2+2]-cycloaddition between indoles and allenamides.","Chemical communications (Cambridge, England)","2015","51","12","2320","2323","10.1039/c4cc08736d","","","0.71073","MoKα","","0.0595","0.0493","","","0.1308","0.1369","","","","","","1.038","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116312","6.9058","0.0015","12.139","0.002","15.599","0.004","90","","90","","90","","1307.7","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Yinliang Guo; Qiang Liu; Yanxing Jia","Concise synthesis of the tricyclic skeleton of crotobarin and crotogoudin via a gold-catalyzed cycloisomerization reaction","Chem.Commun.","2015","51","","889","","10.1039/C3cc48897G","","","0.71073","MoKα","","0.1283","0.0585","","","0.0972","0.1186","","","","","","1.053","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116313","7.7401","0.0004","14.0157","0.001","14.8926","0.001","90","","91.699","0.005","90","","1614.88","0.18","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Cl N O3 S -","- C17 H14 Cl N O3 S -","- C68 H56 Cl4 N4 O12 S4 -","4","2","","An, Qianjin; Li, Jing; Shen, Jiefeng; Butt, Nicholas; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Asymmetric tandem reactions of N-sulfonylimines and α,β-unsaturated aldehydes: an alternative reaction pathway to that of using saturated aldehydes","Chemical Communications (Cambridge, United Kingdom)","2015","51","5","885","888","10.1039/c4cc07051h","","","0.71073","MoKα","","0.0899","0.0629","","","0.1593","0.1783","","","","","","0.985","","","","has coordinates","211014","2020-10-21","18:00:00",""
"7116314","9.6683","0.0003","5.72898","0.00013","16.9335","0.0005","90","","104.603","0.003","90","","907.64","0.05","294.54","0.1","294.54","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C40 H36 Br2 N2 O4 -","2","1","","Xiao-Hong Wei; Gang-Wei Wang; Shang-Dong Yang","Enantioselective synthesis of arylglycine derivatives by direct C-H oxidative cross-coupling","Chem.Commun.","2015","51","","832","","10.1039/C4cc07361D","","","1.54184","CuKα","","0.0418","0.0409","","","0.1099","0.1113","","","","","","1.033","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116315","13.469","0.005","16.818","0.005","19.323","0.005","105.183","0.005","100.695","0.005","100.481","0.005","4026","2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C89 H116 Cl3 N11 Zn2 -","- C89 H116 Cl3 N11 Zn2 -","- C178 H232 Cl6 N22 Zn4 -","2","2","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Step-wise induction, amplification and inversion of molecular chirality through the coordination of chiral diamines with Zn(II) bisporphyrin","Chem.Commun.","2015","51","","895","","10.1039/C4cc07955H","","","0.71069","MoKα","","0.1205","0.0587","","","0.0992","0.1176","","","","","","0.955","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116316","24.876","0.0015","13.2663","0.0007","26.3877","0.0015","90","","102.292","0.002","90","","8508.6","0.8","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C368 H502 Cl8 N48 O3 Zn8 -","- C364 H488 N48 Zn8 -","- C364 H488 N48 Zn8 -","1","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Step-wise induction, amplification and inversion of molecular chirality through the coordination of chiral diamines with Zn(II) bisporphyrin","Chem.Commun.","2015","51","","895","","10.1039/C4cc07955H","","","0.71073","MoKα","","0.1285","0.0727","","","0.1463","0.1718","","","","","","0.939","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116317","8.4554","0.0002","8.8766","0.0002","10.4398","0.0003","70.37","0.002","89.106","0.002","65.222","0.003","662.86","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(naphtylpyridine)golddichloride","","- C15 H10 Au Cl2 N -","- C15 H10 Au Cl2 N -","- C30 H20 Au2 Cl4 N2 -","2","1","","Mikhail Kondrashov; Sudarkodi Raman; Ola F. Wendt","Metal controlled regioselectivity in the cyclometallation of 2-(1-naphthyl)-pyridine","Chem.Commun.","2015","51","","911","","10.1039/C4cc07962K","","","0.71073","MoKα","","0.0309","0.0254","","","0.054","0.0547","","","","","","0.967","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116318","12.553","0.0007","15.1519","0.0009","9.3199","0.0005","90","","111.79","0.04","90","","1646","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(naphtylpyridine)(pyridine)palladiumchloride","","- C20 H15 Cl N2 Pd -","- C20 H15 Cl N2 Pd -","- C80 H60 Cl4 N8 Pd4 -","4","1","","Mikhail Kondrashov; Sudarkodi Raman; Ola F. Wendt","Metal controlled regioselectivity in the cyclometallation of 2-(1-naphthyl)-pyridine","Chem.Commun.","2015","51","","911","","10.1039/C4cc07962K","","","0.71073","MoKα","","0.0354","0.0277","","","0.0654","0.0671","","","","","","0.969","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116319","17.941","0.013","21.24","0.015","13.616","0.01","90","","130.316","0.007","90","","3956","5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 Cl2 N12 Ni O2.5 -","- C40 H41 Cl2 N12 Ni O2.5 -","- C160 H164 Cl8 N48 Ni4 O10 -","4","0.5","","Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong","A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes","Chem.Commun.","2015","51","","839","","10.1039/C4cc08003C","","","0.71073","MoKα","","0.0702","0.0473","","","0.1153","0.1239","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116320","18.101","0.014","20.893","0.016","13.626","0.011","90","","130.367","0.008","90","","3926","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 N12 Ni -","- C38 H32 Cl2 N12 Ni -","- C152 H128 Cl8 N48 Ni4 -","4","0.5","","Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong","A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes","Chem.Commun.","2015","51","","839","","10.1039/C4cc08003C","","","0.71073","MoKα","","0.0573","0.0432","","","0.1211","0.1287","","","","","","1.066","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116321","17.979","0.012","21.364","0.014","13.657","0.009","90","","130.835","0.007","90","","3969","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 Cl2 N12 Ni O2.5 -","- C40 H41 Cl2 N12 Ni O2.5 -","- C160 H164 Cl8 N48 Ni4 O10 -","4","0.5","","Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong","A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes","Chem.Commun.","2015","51","","839","","10.1039/C4cc08003C","","","0.71073","MoKα","","0.0612","0.0425","","","0.0984","0.1061","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116322","18.421","0.013","20.91","0.014","13.545","0.01","90","","130.19","0.009","90","","3986","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 I1.5 N12 Ni -","- C38 H32 Cl2 I1.5 N12 Ni -","- C152 H128 Cl8 I6 N48 Ni4 -","4","0.5","","Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong","A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes","Chem.Commun.","2015","51","","839","","10.1039/C4cc08003C","","","0.71073","MoKα","","0.1167","0.0837","","","0.2105","0.2247","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116323","11.9949","0.0006","20.6933","0.001","3.7537","0.0002","90","","90","","90","","931.72","0.08","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 N3 O2 -","- C11 H7 N3 O2 -","- C44 H28 N12 O8 -","4","1","","Rajarshi Samanta; Rishikesh Narayan; Jonathan O. Bauer; Carsten Strohmann; Sonja Sievers; Andrey P. Antonchick","Oxidative regioselective amination of chromones exposes potent inhibitors of the hedgehog signaling pathway","Chem.Commun.","2015","51","","925","","10.1039/C4cc08376H","","","0.71073","MoKα","","0.0272","0.0258","","","0.0656","0.0665","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116324","14.5505","0.0003","15.3833","0.0003","12.6324","0.0003","90","","92.549","0.002","90","","2824.77","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B10 N2 P2 -","- C22 H32 B10 N2 P2 -","- C88 H128 B40 N8 P8 -","4","1","","Anika Kreienbrink; Menyhart B. Sarosi; Robert Kuhnert; Peter Wonneberger; Anna I. Arkhypchuk; Peter Lonnecke; Sascha Ott; Evamarie Hey-Hawkins","Carbaborane-based alkynylphosphanes and phospholes","Chem.Commun.","2015","51","","836","","10.1039/C4cc08449G","","","0.71073","MoKα","","0.083","0.0544","","","0.1258","0.1411","","","","","","1.012","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116325","12.4405","0.0005","12.4405","0.0005","13.4141","0.0008","90","","90","","90","","2076.05","0.17","298","2","298","2","","","","","","","see text","5","P 41","P 4w","76","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C88 H96 N8 O8 S4 -","4","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.1268","0.0596","","","0.1041","0.1361","","","","","","1.027","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116326","17.4665","0.0001","17.4665","0.0001","13.1291","0.0001","90","","90","","90","","4005.41","0.04","100","2","100","2","","","","","","","see text","5","P 41","P 4w","76","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C176 H192 N16 O16 S8 -","8","2","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0593","0.039","","","0.0969","0.1045","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116327","4.9386","0.0003","15.0974","0.0009","13.3932","0.0015","90","","97.286","0.007","90","","990.53","0.14","100","2","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0894","0.0613","","","0.0938","0.1073","","","","","","0.983","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116328","4.9807","0.0002","15.9306","0.0006","12.0456","0.0005","90","","99.174","0.004","90","","943.54","0.07","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C42 H44 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0537","0.0444","","","0.0812","0.0859","","","","","","1.034","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116329","4.969","0.0002","11.3897","0.0004","15.0388","0.0005","90","","91.707","0.003","90","","850.75","0.05","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C38 H36 N4 O4 S2 -","2","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0364","0.0337","","","0.0695","0.0719","","","","","","1.054","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116330","9.5161","0.0002","30.1575","0.0005","45.9367","0.0008","90","","90","","90","","13183","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H136 N44 O4 Zn10 -","- C96 H129.5 N44 O4 Zn10 -","- C384 H518 N176 O16 Zn40 -","4","1","","Qi Shi; Xiaozhen Kang; Fa-Nian Shi; Jinxiang Dong","Zn10(Im)20^.^4DBF: an unprecedented 10-nodal zeolitic topology with a 10-MR channel and 10 crystallographically independent Zn atoms","Chem.Commun.","2015","51","","1131","","10.1039/C4cc07105K","","","0.71073","MoKα","","0.0709","0.056","","","0.1271","0.133","","","","","","1.055","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116331","27.86","0.003","27.86","0.003","27.86","0.003","90","","90","","90","","21624","4","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C42 H20 Cu3 N2 O15 -","- C42 H20 Cu3 N2 O15 -","- C252 H120 Cu18 N12 O90 -","6","0.125","","Ulrich Stoeck; Irena Senkovska; Volodymyr Bon; Simon Krause; Stefan Kaskel","Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery","Chem.Commun.","2015","51","","1046","","10.1039/C4cc07920E","","x-ray","0.88561","synchrotron","","0.081","0.0555","","","0.168","0.1817","","","","","","0.871","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116332","33.97","0.004","33.97","0.004","33.97","0.004","90","","90","","90","","39200","8","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C54 H28 Cu3 N2 O15 -","- C54 H28 Cu3 N2 O15 -","- C324 H168 Cu18 N12 O90 -","6","0.125","","Ulrich Stoeck; Irena Senkovska; Volodymyr Bon; Simon Krause; Stefan Kaskel","Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery","Chem.Commun.","2015","51","","1046","","10.1039/C4cc07920E","","x-ray","0.88561","synchrotron","","0.0482","0.0453","","","0.1524","0.1572","","","","","","1.06","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116333","15.024","0.003","21.464","0.004","13.309","0.003","90","","90","","90","","4291.8","1.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C208 H176 N16 O48 -","16","4","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.1218","0.0564","","","0.1288","0.1684","","","","","","1.008","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7116334","12.93","0.002","9.3159","0.0015","21.663","0.004","90","","90","","90","","2609.4","0.8","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","2","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.0457","0.0354","","","0.0828","0.0882","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7116335","5.5001","0.0006","15.2463","0.0018","13.668","0.0016","90","","97.7388","0.0018","90","","1135.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.0512","0.0451","","","0.1257","0.1314","","","","","","1.048","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7116336","9.7309","0.0007","7.3003","0.0005","20.4979","0.0014","90","","91.2676","0.001","90","","1455.78","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","1","","Raymond C. F. Jones; Alexander Chatterley; Romain Marty; W. Martin Owton; Mark R. J. Elsegood","Isoxazole to oxazole: a mild and unexpected transformation","Chem.Commun.","2015","51","","1112","","10.1039/C4cc07999J","","","0.71073","MoKα","","0.0495","0.0418","","","0.1145","0.1212","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7116337","5.9858","0.0005","10.0355","0.0012","10.1711","0.0012","93.862","0.01","91.455","0.009","96.575","0.009","605.25","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Br2 N2 -","- C26 H34 Br2 N2 -","- C26 H34 Br2 N2 -","1","0.5","","Pei-Qiang Huang; Qi-Wei Lang; Ai-E Wang; Jian-Feng Zheng","Direct reductive coupling of secondary amides: chemoselective formation of vicinal diamines and vicinal amino alcohols","Chem.Commun.","2015","51","","1096","","10.1039/C4cc08330J","","","0.71073","MoKα","","0.0465","0.04","","","0.0928","0.0966","","","","","","1.046","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116338","5.7076","0.0011","20.718","0.004","21.125","0.004","90","","90","","90","","2498","0.8","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N S -","- C16 H13 N S -","- C128 H104 N8 S8 -","8","1","","Yunfeng Liao; Yi Peng; Hongrui Qi; Guo-Jun Deng; Hang Gonga; Chao-Jun Li","Palladium-catalyzed benzothieno[2,3-b]indole formation via dehydrative-dehydrogenative double C-H sulfuration using sulfur powder, indoles and cyclohexanones","Chem.Commun.","2015","51","","1031","","10.1039/C4cc08370A","","","0.71073","MoKα","","0.093","0.0835","","","0.1728","0.1774","","","","","","1.304","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116339","20.5116","0.0014","5.1146","0.0004","21.4898","0.0015","90","","116.49","0.002","90","","2017.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N2 O4 -","- C52 H48 N2 O4 -","- C104 H96 N4 O8 -","2","0.5","","Monika Warzecha; Jesus Calvo-Castro; Alan R. Kennedy; Alisdair N. Macpherson; Kenneth Shankland; Norman Shankland; Andrew J. McLean; Callum J. McHugh","Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency","Chem.Commun.","2015","51","","1143","","10.1039/C4cc08468C","","","0.71075","MoKα","","0.085","0.0486","","","0.1058","0.1222","","","","","","1.022","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116340","9.976","0.0009","10.5599","0.0009","14.5715","0.0015","90","","90","","90","","1535","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound 5","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Yu Yoshii; Takanori Otsu; Norihiko Hosokawa; Kiyosei Takasu; Kentaro Okano; Hidetoshi Tokuyama","Synthetic studies toward penitrem E: enantiocontrolled construction of B-E rings","Chem.Commun.","2015","51","","1070","","10.1039/C4cc08505A","","","0.71075","MoKα","","0.1032","0.0602","","","0.1395","0.2052","","","","","","1.219","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116341","8.7052","0.0002","7.879","0.0002","27.3581","0.0009","90","","93.841","0.001","90","","1872.23","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Zhi-Jun Jia; Constantin Gabriel Daniliuc; Andrey P. Antonchick; Herbert Waldmann","Phosphine-catalyzed dearomatizing [3+2] annulations of isoquinolinium methylides with allenes","Chem.Commun.","2015","51","","1054","","10.1039/C4cc08555H","","","0.71073","MoKα","","0.1122","0.0643","","","0.1242","0.1476","","","","","","1.06","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116342","11.726","0.003","11.759","0.003","12.907","0.003","67.346","0.005","89.007","0.009","82.672","0.009","1628","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 N5 O4 S -","- C37 H37 N5 O4 S -","- C74 H74 N10 O8 S2 -","2","1","","Hao, Li-Ping; Xue, Wei-Zhe; Han, Xiao-Feng; He, Xing; Zhang, Jun; Zhou, Zhi-Ming","Design, synthesis and biological activity of 4′-[(benzimidazol-1-yl)methyl]biphenyl-2-sulphonamides as dual angiotensin II and endothelin A receptor antagonists","Med. Chem. Commun.","2015","6","4","715","","10.1039/C4MD00499J","","","0.71073","MoKα","","0.0669","0.0589","","","0.1241","0.1294","","","","","","1","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7116343","22.583","0.003","14.5431","0.0019","22.793","0.004","90","","106.309","0.004","90","","7184.6","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H110 Cl2 Ga2 N4 Na2 O3 -","- C68 H100 Cl2 Ga2 N4 Na2 O3 -","- C272 H400 Cl8 Ga8 N16 Na8 O12 -","4","0.5","","Yanxia Zhao; Yanyan Liu; Zeyi Wang; Wenhua Xu; Bin Liu; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Gallium complexes with alpha-diimine and phenazine in various reduced states","Chem.Commun.","2015","51","","1237","","10.1039/C4cc04128C","","","0.71073","MoKα","","0.2534","0.0991","","","0.2567","0.3274","","","","","","0.98","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00",""
"7116344","11.056","0.004","24.846","0.009","15.591","0.006","90","","92.912","0.006","90","","4277","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 Ga2 N6 O5 -","- C88 H120 Ga2 N6 O6 -","- C176 H240 Ga4 N12 O12 -","2","0.5","","Yanxia Zhao; Yanyan Liu; Zeyi Wang; Wenhua Xu; Bin Liu; Ji-Hu Su; Biao Wu; Xiao-Juan Yang","Gallium complexes with alpha-diimine and phenazine in various reduced states","Chem.Commun.","2015","51","","1237","","10.1039/C4cc04128C","","","0.71073","MoKα","","0.0994","0.0537","","","0.1176","0.1345","","","","","","1.032","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116345","8.8667","0.0003","11.8588","0.0003","15.4264","0.0004","112.252","0.001","95.204","0.001","94.286","0.001","1484.57","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N O2 S -","- C31 H21 N O2 S -","- C62 H42 N2 O4 S2 -","2","1","","Maxime Romain; Denis Tondelier; Bernard Geffroy; Anna Shirinskaya; Olivier Jeannin; Joelle Rault-Berthelot; Cyril Poriel","Spiro-configured phenyl acridine thioxanthene dioxide as a host for efficient PhOLEDs","Chem.Commun.","2015","51","","1313","","10.1039/C4cc08028A","","x-ray","0.71073","MoKα","","0.0792","0.0667","","","0.1868","0.194","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116346","5.7276","0.0019","18.038","0.007","13.687","0.005","90","","100.05","0.03","90","","1392.4","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-bromophenyl)-5-phenyl-3,4-dihydro-2H-pyran","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Jing Chen; Chao Chen; Junjie Chen; Guohua Wang; Hongmei Qu","Cu-catalyzed intramolecular aryl-etherification reactions of alkoxyl alkynes with diaryliodonium salts via cleavage of a stable C-O bond","Chem.Commun.","2015","51","","1356","","10.1039/C4cc08363F","","","0.71073","MoKα","","0.0996","0.0636","","","0.1278","0.139","","","","","","1.25","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116347","9.0012","0.0002","11.6897","0.0003","19.0204","0.0005","90","","92.744","0.001","90","","1999.06","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F N2 O4 S2 -","- C22 H17 F N2 O4 S2 -","- C88 H68 F4 N8 O16 S8 -","4","1","","Bagineni Prasad; Raju Adepu; Atul Kumar Sharma; Manojit Pal","Creation of molecular complexities via a new Cu-catalyzed cascade reaction: a direct access to novel 2,2'-spirobiindole derivatives","Chem.Commun.","2015","51","","1259","","10.1039/C4cc08911A","","","0.71073","MoKα","","0.0449","0.0383","","","0.1052","0.1138","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116348","12.7886","0.0013","17.372","0.002","22.188","0.003","90","","92.649","0.005","90","","4924.1","1","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 Cl2 F6 Fe O P4 -","- C51 H51 Cl2 F6 Fe O P4 -","- C204 H204 Cl8 F24 Fe4 O4 P16 -","4","1","","Ayham Tohme; Charles T. Hagen; Stephanie Essafi (nee Labouille); Arnaud Bondon; Thierry Roisnel; Duncan Carmichael; Frederic Paul","Easy and quantitative access to Fe(II) and Fe(III) di(aryl)alkynylphosphine oxides featuring [Fe(dppe)Cp*] endgroups: terminal P[double bond, length as m-dash]O functionality blocks the dimerisation of the Fe(III) derivatives","Chem.Commun.","2015","51","","1316","","10.1039/C4cc08993F","","x-ray","0.71073","MoKα","","0.0653","0.045","","","0.1077","0.1195","","","","","","1.023","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116349","10.6741","0.0006","22.0513","0.0016","18.8153","0.001","90","","104.313","0.003","90","","4291.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 Fe O2 P3 -","- C50 H51 Fe O2 P3 -","- C200 H204 Fe4 O8 P12 -","4","1","","Ayham Tohme; Charles T. Hagen; Stephanie Essafi (nee Labouille); Arnaud Bondon; Thierry Roisnel; Duncan Carmichael; Frederic Paul","Easy and quantitative access to Fe(II) and Fe(III) di(aryl)alkynylphosphine oxides featuring [Fe(dppe)Cp*] endgroups: terminal P[double bond, length as m-dash]O functionality blocks the dimerisation of the Fe(III) derivatives","Chem.Commun.","2015","51","","1316","","10.1039/C4cc08993F","","x-ray","0.71073","MoKα","","0.0671","0.042","","","0.0953","0.1061","","","","","","1.115","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116350","10.9336","0.0004","13.3435","0.0005","16.5675","0.0006","76.51","0.002","77.792","0.002","69.833","0.002","2183.44","0.14","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C52 H53 Fe O P3 -","- C52 H53 Fe O P3 -","- C104 H106 Fe2 O2 P6 -","2","1","","Ayham Tohme; Charles T. Hagen; Stephanie Essafi (nee Labouille); Arnaud Bondon; Thierry Roisnel; Duncan Carmichael; Frederic Paul","Easy and quantitative access to Fe(II) and Fe(III) di(aryl)alkynylphosphine oxides featuring [Fe(dppe)Cp*] endgroups: terminal P[double bond, length as m-dash]O functionality blocks the dimerisation of the Fe(III) derivatives","Chem.Commun.","2015","51","","1316","","10.1039/C4cc08993F","","x-ray","0.71073","MoKα","","0.063","0.0438","","","0.0946","0.1023","","","","","","1.042","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116351","42.0668","0.001","8.5013","0.0002","25.591","0.0006","90","","111.301","0.001","90","","8526.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H53 Fe O P3 -","- C52 H53 Fe O P3 -","- C416 H424 Fe8 O8 P24 -","8","1","","Ayham Tohme; Charles T. Hagen; Stephanie Essafi (nee Labouille); Arnaud Bondon; Thierry Roisnel; Duncan Carmichael; Frederic Paul","Easy and quantitative access to Fe(II) and Fe(III) di(aryl)alkynylphosphine oxides featuring [Fe(dppe)Cp*] endgroups: terminal P[double bond, length as m-dash]O functionality blocks the dimerisation of the Fe(III) derivatives","Chem.Commun.","2015","51","","1316","","10.1039/C4cc08993F","","x-ray","0.71073","MoKα","","0.054","0.0399","","","0.0936","0.0991","","","","","","1.061","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116352","13.6846","0.0019","22.956","0.003","20.732","0.003","90","","98.493","0.002","90","","6441.4","1.5","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[Ru(bpy)2(py-SO3)]PF6","","- C29 H26 F6 N7 O3 P Ru S -","- C29 H26 F6 N7 O3 P Ru S -","- C232 H208 F48 N56 O24 P8 Ru8 S8 -","8","1","","Yue Zheng; Qianxiong Zhou; Wanhua Lei; Yuanjun Hou; Ke Li; Yongjie Chen; Baowen Zhang; Xuesong Wang","DNA photocleavage in anaerobic conditions by a Ru(II) complex: a new mechanism","Chem.Commun.","2015","51","","428","","10.1039/C4CC06552B","","","0.71073","MoKα","","0.0487","0.0441","","","0.1043","0.1082","","","","","","0.999","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116353","8.487","0.005","34.829","0.005","52.441","0.005","90","0.005","90","0.005","90","0.005","15501","10","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Tb-BCB","","- C33 H23.5 N O10.75 Tb -","- C33 H22 N O10.75 Tb -","- C528 H352 N16 O172 Tb16 -","16","1","","Zhiyong Guo; Xuezhi Song; Huaping Lei; Hailong Wang; Shengqun Su; Hui Xu; Guodong Qian; Hongjie Zhang; Banglin Chen","A ketone functionalized luminescent terbium metal-organic framework for sensing of small molecules","Chem.Commun.","2015","51","","376","","10.1039/C4CC06729K","","","0.71069","MoKα","","0.1071","0.0591","","","0.1413","0.1688","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116354","15.715","0.003","12.1408","0.0014","9.9342","0.0012","90","","90","","90","","1895.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2,3dmatphmonomer","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","","Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee","Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores","Chem.Commun.","2015","51","","310","","10.1039/C4CC07104B","","","0.71073","MoKα","","0.1355","0.0883","","","0.2742","0.3453","","","","","","1.082","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116355","7.0094","0.0003","7.0094","0.0003","32.787","0.002","90","","90","","90","","1610.88","0.14","250","2","250","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","2,3DhaTphmonomer","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","","Digambar Balaji Shinde; Sharath Kandambeth; Pradip Pachfule; Raya Rahul Kumar; Rahul Banerjee","Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores","Chem.Commun.","2015","51","","310","","10.1039/C4CC07104B","","","0.71073","MoKα","","0.0672","0.0588","","","0.1411","0.1455","","","","","","1.151","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116356","13.3088","0.0004","13.3088","0.0004","20.4387","0.0008","90","","90","","90","","3620.2","0.2","129.7","0.1","130","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C43 H60 Cl Cu4 N15 O28 -","- C36 H32 Cl Cu4 N15 O21 -","- C72 H64 Cl2 Cu8 N30 O42 -","2","0.125","","Di-ming Chen; Wei Shi; Peng Cheng","A cage-based cationic body-centered tetragonal metal-organic framework: single-crystal to single-crystal transformation and selective uptake of organic dyes","Chem.Commun.","2015","51","","370","","10.1039/C4CC07357F","","","0.71073","MoKα","","0.074","0.0632","","","0.1673","0.1754","","","","","","1.168","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116357","13.959","0.0003","13.959","0.0003","20.0475","0.001","90","","90","","90","","3906.3","0.2","139","2","139","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","1","","- C61 H84 Cl Cu4 N20 O29.5 -","- C36 H32 Cl Cu4 N15 O21 -","- C72 H64 Cl2 Cu8 N30 O42 -","2","0.0625","","Di-ming Chen; Wei Shi; Peng Cheng","A cage-based cationic body-centered tetragonal metal-organic framework: single-crystal to single-crystal transformation and selective uptake of organic dyes","Chem.Commun.","2015","51","","370","","10.1039/C4CC07357F","","","0.71073","MoKα","","0.0601","0.0564","","","0.1647","0.1676","","","","","","1.134","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116358","12.106","0.003","23.293","0.005","16.666","0.004","90","","103.081","0.004","90","","4577.6","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H74 Ge N2 Si8 -","- C29 H74 Ge N2 Si8 -","- C116 H296 Ge4 N8 Si32 -","4","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0566","0.0435","","","0.1059","0.1112","","","","","","1.067","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116359","13.326","0.003","18.718","0.004","18.391","0.004","90","","102.16","0.03","90","","4484.5","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Ge Si8 -","- C32 H64 Ge Si8 -","- C128 H256 Ge4 Si32 -","4","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0426","0.0337","","","0.0786","0.0818","","","","","","1.037","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116360","25.174","0.005","14.054","0.003","25.198","0.005","90","","90","","90","","8915","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H69 Ge P Si8 -","- C29 H69 Ge P Si8 -","- C232 H552 Ge8 P8 Si64 -","8","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0483","0.0395","","","0.0965","0.1004","","","","","","1.068","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116361","9.809","0.002","14.698","0.003","20.257","0.004","105.37","0.03","97.24","0.03","109.32","0.03","2583.1","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H75 Ge P Si8 -","- C37 H75 Ge P Si8 -","- C74 H150 Ge2 P2 Si16 -","2","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0455","0.0383","","","0.0909","0.094","","","","","","1.04","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116362","13.204","0.003","19.641","0.004","18.411","0.004","90","","109.7","0.03","90","","4495.2","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H66 Ge Si8 -","- C34 H66 Ge Si8 -","- C136 H264 Ge4 Si32 -","4","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0517","0.0434","","","0.0924","0.0954","","","","","","1.097","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116363","9.642","0.0019","18.886","0.004","22.043","0.004","90","","98.58","0.03","90","","3969.1","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H60 Ge Si8 -","- C26 H60 Ge Si8 -","- C104 H240 Ge4 Si32 -","4","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0334","0.0286","","","0.074","0.0764","","","","","","1.059","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116364","10.588","0.002","11.729","0.002","26.02","0.005","90","","91.42","0.03","90","","3230.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl6 Fe2 N2 O -","- C30 H28 Cl6 Fe2 N2 O -","- C120 H112 Cl24 Fe8 N8 O4 -","4","1","","Martin Brzozowski; Jose A. Forni; G. Paul Savage; Anastasios Polyzos","The direct alpha-C(sp3)-H functionalisation of N-aryl tetrahydroisoquinolinesvia an iron-catalysed aerobic nitro-Mannich reaction and continuous flow processing","Chem.Commun.","2015","51","","334","","10.1039/C4cc07913B","","","0.7108","synchrotron","","0.0472","0.0386","","","0.0927","0.099","","","","","","1.049","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116365","9.0155","0.0013","14.112","0.002","9.6804","0.0014","90","","90.552","0.005","90","","1231.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Saikat Khamarui; Rituparna Maiti; Dilip K. Maiti","General base-tuned unorthodox synthesis of amides and ketoesters with water","Chem.Commun.","2015","51","","384","","10.1039/C4cc07961B","","","0.71073","MoKα","","0.1048","0.0696","","","0.2077","0.2377","","","","","","1.091","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116366","12.3529","0.0019","12.613","0.002","12.95","0.002","99.282","0.002","107.229","0.002","100.92","0.002","1840.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 Au2 F10 N2 -","- C39 H32 Au2 F10 N2 -","- C78 H64 Au4 F20 N4 -","2","1","","Zhao Chen; Jing Zhang; Min Song; Jun Yin; Guang-AoYu; Sheng Hua Liu","A novel fluorene-based aggregation-induced emission (AIE)-active gold(I) complex with crystallization-induced emission enhancement (CIEE) and reversible mechanochromism characteristics","Chem.Commun.","2015","51","","326","","10.1039/C4cc08087D","","","0.71073","MoKα","","0.0839","0.0733","","","0.2189","0.2359","","","","","","1.053","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116367","18.16","0.002","5.8576","0.0005","14.864","0.002","90","","109.694","0.015","90","","1488.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(naphthalen-2-yl)-3-(p-tolyl)-1H-pyrazole","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Rajeshwer Vanjari; Tirumaleswararao Guntreddi; Saurabh Kumar; Krishna Nand Singh","Sulphur promoted C(sp3)-C(sp2) cross dehydrogenative cyclisation of acetophenonehydrazones with aldehydes: efficient synthesis of 3,4,5-trisubstituted 1H-pyrazoles","Chem.Commun.","2015","51","","366","","10.1039/C4cc08210A","","","0.71073","MoKα","","0.1493","0.0633","","","0.1176","0.1609","","","","","","1.043","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116368","4.9784","0.0003","11.3963","0.0007","19.9225","0.0011","95.603","0.004","92.746","0.004","93.2","0.004","1121.54","0.12","100","2","100","2","","","","","","","","2","P -1","-P 1","2","DAP1","7,16-Bis(4-nonylphenyl) dianthraceno[a,e]pentalene","","- C62 H60 -","- C62.006 H60.028 -","- C62.006 H60.028 -","1","0.5","","Gaole Dai; Jingjing Chang; Wenhua Zhang; Shiqiang Bai; Kuo-Wei Huang; Jianwei Xu; Chunyan Chi","Dianthraceno[a,e]pentalenes: synthesis, crystallographic structures and applications in organic field-effect transistors","Chem.Commun.","2015","51","","503","","10.1039/C4cc07630C","","","1.54178","CuKα","","0.109","0.1023","","","0.2577","0.2621","","","","","","0.941","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116369","9.7359","0.0019","16.193","0.003","22.166","0.005","99.203","0.01","101.335","0.012","101.921","0.009","3278.4","1.2","153","2","153","2","","","","","","","","2","P -1","-P 1","2","DAP2","7,16-bis(4-nonylphenyl)-5,9,14,18-tetraphenyl dianthraceno[a,e]pentalene","","- C86 H78 -","- C86 H78 -","- C172 H156 -","2","1","","Gaole Dai; Jingjing Chang; Wenhua Zhang; Shiqiang Bai; Kuo-Wei Huang; Jianwei Xu; Chunyan Chi","Dianthraceno[a,e]pentalenes: synthesis, crystallographic structures and applications in organic field-effect transistors","Chem.Commun.","2015","51","","503","","10.1039/C4cc07630C","","","1.54178","CuKα","","0.1791","0.1286","","","0.3259","0.3691","","","","","","1.049","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116370","6.0904","0.0005","7.695","0.0005","16.3916","0.0013","83.899","0.006","82.995","0.007","87.213","0.006","757.65","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(2-hydroxyl-5-methylphenyl)-1-phenyl-4H-1,2,4-triazol-1-iumperchlorate","","- C15 H14 Cl N3 O5 -","- C15 H14 Cl N3 O5 -","- C30 H28 Cl2 N6 O10 -","2","1","","Ming Liu; Martin Nieger; Andreas Schmidt","Mesomericbetaine - N-heterocyclic carbene interconversions of 1,2,4-triazolium-phenolates. Sulfur, selenium, and borane adduct formation","Chem.Commun.","2015","51","","477","","10.1039/C4cc08032G","","","0.71073","MoKα","","0.0439","0.038","","","0.1012","0.1062","","","","","","1.042","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116371","19.9626","0.0009","4.6037","0.0002","15.3349","0.0006","90","","112.829","0.005","90","","1298.91","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-methyl-2-(1-phenyl-4H-1,2,4-triazol-1-ium-4-yl)phenolate hydrate","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Ming Liu; Martin Nieger; Andreas Schmidt","Mesomericbetaine - N-heterocyclic carbene interconversions of 1,2,4-triazolium-phenolates. Sulfur, selenium, and borane adduct formation","Chem.Commun.","2015","51","","477","","10.1039/C4cc08032G","","","0.71073","MoKα","","0.031","0.0288","","","0.0694","0.0704","","","","","","1.042","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116372","11.777","0.001","12.266","0.001","12.551","0.001","76.4","0.01","64.72","0.01","64.59","0.01","1477.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","(4-methyl-2-(1-phenyl-4H-1,2,4-triazol-1-ium-4-yl)phenoxy)tris(perfluorophenyl)borate","","- C33 H13 B F15 N3 O -","- C33 H13 B F15 N3 O -","- C66 H26 B2 F30 N6 O2 -","2","1","","Ming Liu; Martin Nieger; Andreas Schmidt","Mesomericbetaine - N-heterocyclic carbene interconversions of 1,2,4-triazolium-phenolates. Sulfur, selenium, and borane adduct formation","Chem.Commun.","2015","51","","477","","10.1039/C4cc08032G","","","0.71073","MoKα","","0.049","0.0381","","","0.0897","0.096","","","","","","1.034","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116373","9.0122","0.0004","11.123","0.0005","17.8748","0.0009","72.078","0.004","87.907","0.004","79.532","0.004","1676.14","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4,4-diethyl-3-phenyl-4JH-benzo[e][1,2,4]triazolo[3,4-c]81,4,2]oxaza-borinin-3-ium-4-uide","","- C18 H21 B N3 O1.5 -","- C18 H21 B N3 O1.5 -","- C72 H84 B4 N12 O6 -","4","2","","Ming Liu; Martin Nieger; Andreas Schmidt","Mesomericbetaine - N-heterocyclic carbene interconversions of 1,2,4-triazolium-phenolates. Sulfur, selenium, and borane adduct formation","Chem.Commun.","2015","51","","477","","10.1039/C4cc08032G","","","0.71073","MoKα","","0.0621","0.0473","","","0.1045","0.1156","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116374","18.442","0.0017","11.9605","0.0012","19.592","0.002","90","","116.965","0.003","90","","3851.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cy2BIM_CO2","","","- C44 H60 B N O2 -","- C44 H60 B N O2 -","- C176 H240 B4 N4 O8 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.1409","0.0626","","","0.1157","0.141","","","","","","1.007","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116375","20.9432","0.0009","12.5599","0.0006","17.1099","0.0008","90","","91.099","0.002","90","","4499.8","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(9-BBN)CH2N(9-BBN)ArDipp2","","","- C52 H79 B2 N -","- C52 H79 B2 N -","- C208 H316 B8 N4 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.0793","0.0557","","","0.1364","0.1492","","","","","","1.033","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116376","12.3306","0.0009","13.0545","0.001","25.512","0.002","90","","90.626","0.004","90","","4106.4","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cy2BIM_PhCN","","","- C50 H65 B N2 -","- C50 H65 B N2 -","- C200 H260 B4 N8 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.1134","0.0574","","","0.1163","0.1353","","","","","","1.025","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116377","10.6296","0.0003","23.2451","0.0008","18.409","0.0006","90","","104.193","0.001","90","","4409.8","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(9-BBN)BIM-thf","","","- C52 H69 B N O -","- C49 H66 B N O -","- C196 H264 B4 N4 O4 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.0778","0.0532","","","0.1316","0.146","","","","","","1.045","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116378","10.1073","0.0003","16.6024","0.0004","20.2451","0.0005","90","","94.273","0.001","90","","3387.79","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(9-BBN)BIM_CO2","","","- C40 H52 B N O2 -","- C40 H52 B N O2 -","- C160 H208 B4 N4 O8 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.0625","0.0433","","","0.0909","0.0995","","","","","","1.02","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116379","17.347","0.002","10.634","0.0011","19.7137","0.0019","90","","112.174","0.004","90","","3367.6","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(9-BBN)BIM_H2O","","","- C39 H54 B N O -","- C39 H54 B N O -","- C156 H216 B4 N4 O4 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.1218","0.0872","","","0.1893","0.2037","","","","","","1.082","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116380","13.4374","0.0011","14.3288","0.0013","18.5873","0.0014","90","","105.742","0.003","90","","3444.6","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PinBIM","","","- C37 H50 B N O2 -","- C37 H50 B N O2 -","- C148 H200 B4 N4 O8 -","4","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.0595","0.0382","","","0.0944","0.1042","","","","","","1.019","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116381","10.9523","0.0006","12.2836","0.0006","18.2004","0.0011","77.103","0.002","81.075","0.003","65.736","0.002","2170.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","Cy2BIM_tBuCCH","","","- C49 H70 B N -","- C49 H70 B N -","- C98 H140 B2 N2 -","2","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","0.71073","MoKα","","0.1559","0.0698","","","0.1396","0.1713","","","","","","1.01","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116382","10.318","0.0008","12.8163","0.001","17.8056","0.0014","83.969","0.004","86.164","0.004","85.117","0.004","2329.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","Cy2BIM_MeCN","","","- C52.5 H81 B N2 -","- C52.5 H81 B N2 -","- C105 H162 B2 N4 -","2","1","","Brandon R. Barnett; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figuero","Frustrated Lewis pair behavior of monomeric (boryl)iminomethanes accessed from isocyanide 1,1-hydroboration","Chem.Commun.","2015","51","","541","","10.1039/C4cc08037H","","x-ray","1.54178","CuKα","","0.0351","0.0329","","","0.0866","0.0884","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116383","6.1013","0.0008","15.039","0.002","23.894","0.003","90","","90.877","0.008","90","","2192.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N O3 S -","- C34 H27 N O3 S -","- C136 H108 N4 O12 S4 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Synthesis of polysubstituted cyclopenta[b]indoles via relay gold(I)/Bronsted acid catalysis","Chem.Commun.","2015","51","","557","","10.1039/C4cc08174A","","","0.71073","MoKα","","0.108","0.064","","","0.1539","0.181","","","","","","1.08","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116384","10.9383","0.0008","11.4949","0.0008","15.5104","0.0011","90","","90","","90","","1950.2","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","organic","","- C21 H20 Cl2 O3 -","- C21 H20 Cl2 O3 -","- C84 H80 Cl8 O12 -","4","1","","Yuxiao Liu; Yongming Deng; Peter Y. Zavalij; Renhua Liu; Michael P. Doyle","An efficient route to highly enantioenrichedtetrahydroazulenes and beta-tetralones by desymmetrization reactions of delta,delta-diaryldiazoaceto-acetates","Chem.Commun.","2015","51","","565","","10.1039/C4cc08255A","","","0.71073","MoKα","","0.0253","0.0249","","","0.0523","0.0525","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116385","26.0606","0.001","28.4219","0.0009","23.3299","0.0009","90","","90","","90","","17280.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C126 H108 Eu2 N18 O12 -","- C126 H108 Eu2 N18 O12 -","- C504 H432 Eu8 N72 O48 -","4","1","","Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law","Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix","Chem.Commun.","2015","51","","592","","10.1039/C4cc08362H","","","0.71073","MoKα","","0.1073","0.0607","","","0.0986","0.1062","","","","","","1.01","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116386","16.679","0.0005","20.3099","0.0006","24.4218","0.0008","87.025","0.002","70.961","0.002","89.269","0.002","7809.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H90 Eu2 F18 N18 O18 S6 -","- C132 H91 Eu2 N18 O12 -","- C264 H182 Eu4 N36 O24 -","2","1","","Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law","Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix","Chem.Commun.","2015","51","","592","","10.1039/C4cc08362H","","","0.71073","MoKα","","0.1465","0.0754","","","0.1982","0.2205","","","","","","0.952","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116387","10.3285","0.0006","17.8133","0.0012","10.5822","0.0007","90","","100.506","0.004","90","","1914.3","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","1","","Chi-Tung Yeung; Wesley Ting Kwok Chan; Siu-Cheong Yan; Kwan-Leung Yu; King-Him Yim; Wing-Tak Wong; Ga-Lai Law","Lanthanide supramolecular helical diastereoselective breaking induced by point chirality: mixture or P-helix, M-helix","Chem.Commun.","2015","51","","592","","10.1039/C4cc08362H","","","0.71073","MoKα","","0.1163","0.0583","","","0.1407","0.1712","","","","","","1.021","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116388","10.2469","0.0009","10.4606","0.0009","13.5437","0.0012","90","","90","","90","","1451.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Zhao-Lin He; Chun-Jiang Wang","Ag(I)-catalyzed tandem [6+3] annulation/isomerization of isocyanoacetates with fulvenes: an expedient approach to synthesize fused dihydropyridines","Chem.Commun.","2015","51","","534","","10.1039/C4cc08382B","","","0.71073","MoKα","","0.0324","0.0293","","","0.0639","0.066","","","","","","1.037","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116389","15.889","0.008","18.207","0.012","23.994","0.015","90","","95.206","0.015","90","","6913","7","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C98 H167 Ag12 N12 O0.5 P6 Si6 -","- C98 H167 Ag12 N12 O0.5 P6 Si6 -","- C196 H334 Ag24 N24 O P12 Si12 -","2","1","","Bahareh Khalili Najafabadi; John F. Corrigan","N-Heterocyclic carbene stabilized Ag-P nanoclusters","Chem.Commun.","2015","51","","665","","10.1039/C4cc06560C","","","0.71073","MoKα","","0.1165","0.0572","","","0.1149","0.1359","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116390","17.285","0.004","20.433","0.005","29.512","0.008","95.465","0.012","91.603","0.009","90.317","0.019","10371","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H250.8 Ag26 N16 P12 Si10 -","- C141 H250.8 Ag26 N16 P12 Si10 -","- C282 H501.6 Ag52 N32 P24 Si20 -","2","1","","Bahareh Khalili Najafabadi; John F. Corrigan","N-Heterocyclic carbene stabilized Ag-P nanoclusters","Chem.Commun.","2015","51","","665","","10.1039/C4cc06560C","","","0.71073","MoKα","","0.1234","0.0555","","","0.1142","0.1372","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116391","15.504","0.003","15.364","0.003","18.127","0.004","90","","90","","90","","4317.9","1.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BMOF","","- C15.74 H19.56 N9.19 O Zn2 -","- C15.74 H19.555 N9.185 O Zn2 -","- C125.92 H156.44 N73.48 O8 Zn16 -","8","1","","Yichao Lin; Qiuju Zhang; Chongchong Zhao; Huailong Li; Chunlong Kong; Cai Shen; Liang Chen","An exceptionally stable functionalized metal-organic framework for lithium storage","Chem.Commun.","2015","51","","697","","10.1039/C4cc07149B","","","0.71073","MoKα","","0.0696","0.0519","","","0.1357","0.1482","","","","","","1.063","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116392","8.641","0.0012","10.6699","0.0015","25.373","0.004","90","","97.159","0.002","90","","2321.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 S2 -","- C30 H24 S2 -","- C120 H96 S8 -","4","1","","Sengodagounder Muthusamy; Manickasamy Sivaguru; Eringathodi Suresh","Indium(III) chloride catalyzed highly diastereoselective domino synthesis of indenodithiepines and indenodithiocines","Chem.Commun.","2015","51","","707","","10.1039/C4cc07280D","","","0.71073","MoKα","","0.0493","0.043","","","0.1115","0.1155","","","","","","1.039","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116393","9.901","0.002","11.029","0.003","14.297","0.003","74.65","0.004","76.568","0.004","68.378","0.004","1383.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 Cl S2 -","- C33 H29 Cl S2 -","- C66 H58 Cl2 S4 -","2","1","","Sengodagounder Muthusamy; Manickasamy Sivaguru; Eringathodi Suresh","Indium(III) chloride catalyzed highly diastereoselective domino synthesis of indenodithiepines and indenodithiocines","Chem.Commun.","2015","51","","707","","10.1039/C4cc07280D","","","0.71073","MoKα","","0.0794","0.0619","","","0.1434","0.1546","","","","","","1.078","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116394","8.621","0.0009","18.3501","0.0019","19.69","0.002","90","","90","","90","","3114.9","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 B N3 -","- C39 H34 B N3 -","- C156 H136 B4 N12 -","4","1","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.2034","0.058","","","0.088","0.119","","","","","","0.752","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116395","10.9427","0.0007","12.7077","0.0007","14.9474","0.0011","90","","90","","90","","2078.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 B F2 N2 -","- C25 H19 B F2 N2 -","- C100 H76 B4 F8 N8 -","4","1","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.0946","0.0506","","","0.088","0.1096","","","","","","1.041","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116396","12.2723","0.0009","14.705","0.0016","14.7883","0.0016","69.664","0.01","67.961","0.008","82.665","0.007","2319.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F2 N3 -","- C27 H24 B F2 N3 -","- C108 H96 B4 F8 N12 -","4","2","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.1462","0.0752","","","0.1889","0.2352","","","","","","1.1","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7116397","10.9565","0.0008","19.2414","0.0016","13.7066","0.0011","90","","95.002","0.001","90","","2878.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H29 B N2 -","- C37 H29 B N2 -","- C148 H116 B4 N8 -","4","1","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.1186","0.0512","","","0.1591","0.2325","","","","","","0.758","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116398","15.499","0.002","27.568","0.004","9.7851","0.0015","90","","90","","90","","4180.9","1","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C81 H19 N -","- C81 H19 N -","- C324 H76 N4 -","4","0.5","","T. W. Chamberlain; M. A. Lebedeva; W. Abuajwa; M. Suyetin; W. Lewis; E. Bichoutskaia; M. Schroder; A.; N.; Khlobystov'","Switching intermolecular interactions by confinement in carbon nanotubes","Chem.Commun.","2015","51","","648","","10.1039/C4cc08029G","","","1.54187","CuKα","","0.0393","0.0391","","","0.1051","0.1055","","","","","","1.03","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116399","30.682","0.004","30.682","0.004","23.596","0.005","90","","90","","120","","19237","5","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H192 Cl8 Fe4 N36 O32 -","- C168 H192 Cl8 Fe4 N36 O31.334 -","- C504 H576 Cl24 Fe12 N108 O94.002 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1389","0.1042","","","0.2759","0.3113","","","","","","1.008","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116400","30.825","0.008","30.825","0.008","22.939","0.011","90","","90","","120","","18876","11","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C168 H192 Cl8 Fe4 N36 O32 -","- C168 H192 Cl8 Fe4 N36 O31.333 -","- C504 H576 Cl24 Fe12 N108 O93.999 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.169","0.1395","","","0.3552","0.3745","","","","","","1.287","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116401","19.6065","0.0009","19.7357","0.0008","20.2252","0.0009","116.621","0.0011","115.561","0.0012","94.4565","0.0013","5944.6","0.5","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C211.17 H272.75 Cl8 Fe4 N47.58 O47 -","- C211.17 H272.755 Cl8 Fe4 N47.585 O47 -","- C211.17 H272.755 Cl8 Fe4 N47.585 O47 -","1","1","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1278","0.0832","","","0.2055","0.2337","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116402","19.7723","0.0013","19.7731","0.0014","20.282","0.002","115.476","0.002","116.397","0.002","94.961","0.001","6022.1","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H234 Cl8 Fe4 N42 O44 -","- C192 H234 Cl8 Fe4 N42 O44 -","- C192 H234 Cl8 Fe4 N42 O44 -","1","1","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.1315","0.0758","","","0.1914","0.2181","","","","","","0.963","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116403","31.4702","0.0014","31.4702","0.0014","22.296","0.002","90","","90","","120","","19123","2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C174 H189 Cl20 Fe4 N39 O32 -","- C174 H189 Cl19.99 Fe4 N39 O31.96 -","- C522 H567 Cl59.97 Fe12 N117 O95.88 -","3","0.333333","","Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu","Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties","Chem.Commun.","2015","51","","788","","10.1039/C4cc08041F","","","0.71073","MoKα","","0.0943","0.0639","","","0.1665","0.1805","","","","","","0.935","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116404","8.67","0.004","8.67","0.004","12.722","0.013","90","","90","","90","","956.3","1.2","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C H B N O Zn -","- C1.2 H3.6 B1.6 N0.8 O2.8 Zn0.4 -","- C12 H36 B16 N8 O28 Zn4 -","10","1.25","","Chun-Yang Pan; Li-Juan Zhong; Feng-Hua Zhao; Hong-Mei Yang; Jian Zhou","Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel","Chem.Commun.","2015","51","","753","","10.1039/C4cc08202H","","","0.71073","MoKα","","0.016","0.0159","","","0.0482","0.0482","","","","","","1.242","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116405","19.7543","0.0007","6.8067","0.0003","15.8605","0.0004","90","","98.736","0.004","90","","2107.89","0.13","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H19 Br N3 O3 -","- C21 H19 Br N3 O3 -","- C84 H76 Br4 N12 O12 -","4","1","","Bao-Dong Cui; Yong You; Jian-Qiang Zhao; Jian Zuo; Zhi-Jun Wu; Xiao-Ying Xu; Xiao-Mei Zhang; Wei-Cheng Yuan","3-Pyrrolyl-oxindoles as efficient nucleophiles for organocatalytic asymmetric synthesis of structurally diverse 3,3'-disubstituted oxindole derivatives","Chem.Commun.","2015","51","","757","","10.1039/C4cc08364D","","","1.54184","CuKα","","0.106","0.0839","","","0.2122","0.229","","","","","","1.091","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116406","9.3511","0.0002","11.4869","0.0003","8.4156","0.0002","90","","102.475","0.002","90","","882.62","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20120034","2-methoxyisoquinoline-1,3(2H,4H)-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Jingjing Shi; Jie Zhou; Yunnan Yan; Jinlong Jia; Xuelei Liu; Huacan Song; H. Eric Xu; Wei Yi","One-pot cascade synthesis of N-methoxyisoquinolinediones via Rh(III)-catalyzed carbenoid insertion C-H activation/cyclization","Chem.Commun.","2015","51","","668","","10.1039/C4cc08407A","","","0.71073","MoKα","","0.0492","0.0415","","","0.1321","0.1485","","","","","","1.11","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116407","12.855","0.0009","27.0697","0.0019","14.2004","0.001","90","","92.555","0.002","90","","4936.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Be N4 -","- C52 H72 B2 Be N4 -","- C208 H288 B8 Be4 N16 -","4","1","","T. Arnold; H. Braunschweig; W. C. Ewing; T. Kramer; J. Mies; J. K. Schuster","Beryllium bis(diazaborolyl): old neighbors finally shake hands","Chem.Commun.","2015","51","","737","","10.1039/C4cc08519A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1069","0.1177","","","","","","1.018","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116408","12.3713","0.0007","20.3783","0.0011","12.4856","0.0007","90","","114.919","0.0019","90","","2854.7","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63 H86 B2 Be N6 -","- C63 H86 B2 Be N6 -","- C126 H172 B4 Be2 N12 -","2","1","","T. Arnold; H. Braunschweig; W. C. Ewing; T. Kramer; J. Mies; J. K. Schuster","Beryllium bis(diazaborolyl): old neighbors finally shake hands","Chem.Commun.","2015","51","","737","","10.1039/C4cc08519A","","","0.71073","MoKα","","0.0663","0.0469","","","0.0929","0.1025","","","","","","1.032","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116409","14.0885","0.0001","26.577","0.0002","20.0509","0.0002","90","","95.273","0.001","90","","7475.89","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H248 B8 P8 Sn4 -","- C149 H248 B8 P8 Sn4 -","- C298 H496 B16 P16 Sn8 -","2","0.5","","Keith Izod; Casey M. Dixon; Ross W. Harrington; Michael R. Probert","Impact of a rigid backbone on the structure of an agostically-stabilised dialkylstannylene: isolation of an unusual bridged stannyl-stannylene","Chem.Commun.","2015","51","","679","","10.1039/C4cc08740B","","","0.71073","MoKα","","0.0389","0.0278","","","0.0558","0.0604","","","","","","1.051","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116410","8.2226","0.0005","39.325","0.002","10.4346","0.0007","90","","91.494","0.001","90","","3372.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H38 N4 Ni O6 -","- C37 H38 N4 Ni O6 -","- C148 H152 N16 Ni4 O24 -","4","2","","Tingting Li; Shengbin Zhou; Jiang Wang; Jose Luis Acena; Vadim A. Soloshonok; Hong Liu","Asymmetric synthesis of alpha-(1-oxoisoindolin-3-yl)glycine: synthetic and mechanistic challenges","Chem.Commun.","2015","51","","1624","","10.1039/C4cc05659K","","","0.71073","MoKα","","0.0541","0.0485","","","0.1159","0.1193","","","","","","1.056","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116411","11.0249","0.0008","18.09","0.0014","15.8569","0.0011","90","","91.288","0.002","90","","3161.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 Ni O5 -","- C36 H34 N4 Ni O5 -","- C144 H136 N16 Ni4 O20 -","4","1","","Tingting Li; Shengbin Zhou; Jiang Wang; Jose Luis Acena; Vadim A. Soloshonok; Hong Liu","Asymmetric synthesis of alpha-(1-oxoisoindolin-3-yl)glycine: synthetic and mechanistic challenges","Chem.Commun.","2015","51","","1624","","10.1039/C4cc05659K","","","0.71073","MoKα","","0.0563","0.0416","","","0.0987","0.1063","","","","","","1.034","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116412","9.5908","0.0008","10.9141","0.001","22.863","0.002","90","","99.059","0.002","90","","2363.3","0.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B Cl2 F2 N3 O S -","- C24 H20 B Cl2 F2 N3 O S -","- C96 H80 B4 Cl8 F8 N12 O4 S4 -","4","1","","Hui Liu; Hua Lu; Zhikuan Zhou; Soji Shimizu; Zhifang Li; Nagao Kobayashi; Zhen Shen","Asymmetric core-expanded aza-BODIPY analogues: facile synthesis and optical properties","Chem.Commun.","2015","51","","1713","","10.1039/C4cc06704E","","","0.71073","MoKα","","0.0725","0.0488","","","0.1299","0.1529","","","","","","1.032","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116413","14.5722","0.0001","16.046","0.0001","22.1206","0.0002","90","","107.66","","90","","4928.61","0.06","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 B F2 N3 O2 S -","- C27 H26 B F2 N3 O2 S -","- C216 H208 B8 F16 N24 O16 S8 -","8","2","","Hui Liu; Hua Lu; Zhikuan Zhou; Soji Shimizu; Zhifang Li; Nagao Kobayashi; Zhen Shen","Asymmetric core-expanded aza-BODIPY analogues: facile synthesis and optical properties","Chem.Commun.","2015","51","","1713","","10.1039/C4cc06704E","","","1.54178","CuKα","","0.0793","0.0715","","","0.223","0.2339","","","","","","1.081","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116414","9.9685","0.0007","10.863","0.0007","15.8102","0.0011","90","","98.901","0.001","90","","1691.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F6 O2 S2 -","- C17 H14 F6 O2 S2 -","- C68 H56 F24 O8 S8 -","4","1","","Ryuhei Kodama; Kimio Sumaru; Kana Morishita; Toshiyuki Kanamori; Kengo Hyodo; Takashi Kamitanaka; Masakazu Morimoto; Satoshi Yokojima; Shinichiro Nakamura; Kingo Uchida","A diarylethene as the SO2 gas generator upon UV irradiation","Chem.Commun.","2015","51","","1736","","10.1039/C4cc07790C","","","0.71073","MoKα","","0.0324","0.031","","","0.0844","0.0857","","","","","","1.044","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116415","18.332","0.004","6.1364","0.0012","20.639","0.004","90","","107.621","0.003","90","","2212.8","0.8","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O3 P -","- C26 H27 O3 P -","- C104 H108 O12 P4 -","4","1","","Yuzhen Gao; Xueqin Li; Jian Xu; Yile Wu; Weizhu Chen; Guo Tang; Yufen Zhao","Mn(OAc)3-mediated phosphonation-lactonization of alkenoic acids: synthesis of phosphono-gamma-butyrolactones","Chem.Commun.","2015","51","","1605","","10.1039/C4cc07978G","","","0.71073","MoKα","","0.0643","0.0542","","","0.1459","0.153","","","","","","1.052","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116416","11.7098","0.0008","12.2432","0.0008","19.742","0.0012","75.953","0.001","72.973","0.002","75.614","0.002","2576.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cl S -","- C2.12281 H2.19298 Cl0.0526316 S0.140351 -","- C121 H125 Cl3 S8 -","57","28.5","","Ru-Qiang Lu; Yi-Nyu Zhou; Xiao-Yun Yan; Ke Shi; Yu-Qing Zheng; Ming Luo; Xin-Chang Wang; Jian Pei; Haiping Xia; Laura Zoppi; Kim K. Baldridge; Jay S. Siegel; Xiao-Yu Cao","Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g]corannulene core for organic field-effect transistors","Chem.Commun.","2015","51","","1681","","10.1039/C4cc08451A","","","0.71073","MoKα","","0.1884","0.1055","","","0.3002","0.3612","","","","","","1.147","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116417","13.6965","0.0004","7.3314","0.0002","18.6691","0.0006","90","","103.364","0.0017","90","","1823.89","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N -","- C26 H17 N -","- C104 H68 N4 -","4","1","","Iyyanar Karthikeyan; Dhanarajan Arunprasath; Govindasamy Sekar","An efficient synthesis of pyrido[1,2-a]indoles through aza-Nazarov type cyclization","Chem.Commun.","2015","51","","1701","","10.1039/C4cc08783F","","","0.71073","MoKα","","0.0545","0.0402","","","0.1026","0.1163","","","","","","1.048","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116418","36.006","0.003","6.013","0.0005","31.426","0.003","90","","90","","90","","6803.9","1","173","2","173","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C27 H16 O4 Zn -","- C27 H16 O4 Zn -","- C216 H128 O32 Zn8 -","8","0.5","","Xun-Gao Liu; Hui Wang; Bin Chen; Yang Zou; Zhi-Guo Gu; Zujin Zhao; Liang Shen","A luminescent metal-organic framework constructed using a tetraphenylethene-based ligand for sensing volatile organic compounds","Chem.Commun.","2015","51","","1677","","10.1039/C4cc08945F","","","0.71073","MoKα","","0.175","0.1294","","","0.3903","0.4214","","","","","","1.453","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116419","7.839","0.0006","16.0342","0.0012","9.5567","0.0007","90","","96.056","0.003","90","","1194.5","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 B Cl2 N2 -","- C11 H13 B Cl2 N2 -","- C44 H52 B4 Cl8 N8 -","4","1","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deisshurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.0393","0.0343","","","0.0947","0.0981","","","","","","1.09","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116420","15.0371","0.0015","7.5273","0.0008","13.1615","0.0014","90","","108.431","0.004","90","","1413.3","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 B Cl2 N2 -","- C13 H17 B Cl2 N2 -","- C52 H68 B4 Cl8 N8 -","4","1","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deissenberger; Rian D. Dewhurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.0312","0.0298","","","0.0721","0.0729","","","","","","1.033","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116421","10.68","0.0012","14.1175","0.0015","13.6179","0.0015","90","","93.975","0.004","90","","2048.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 B N2 -","- C25 H25 B N2 -","- C100 H100 B4 N8 -","4","1","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deissenberger; Rian D. Dewhurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.0593","0.0416","","","0.0946","0.1023","","","","","","1.03","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116422","11.205","0.004","13.058","0.004","16.087","0.007","90","","106.498","0.014","90","","2256.9","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N2 -","- C27 H29 B N2 -","- C108 H116 B4 N8 -","4","1","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deissenberger; Rian D. Dewhurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.1249","0.0533","","","0.1038","0.1267","","","","","","0.998","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116423","15.9324","0.0007","15.9875","0.0007","16.3672","0.0007","63.872","0.002","87.926","0.002","79.834","0.002","3680.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 B N2 P2 Pt -","- C37 H55 B N2 P2 Pt -","- C148 H220 B4 N8 P8 Pt4 -","4","2","","Holger Braunschweig; Christina Claes; Alexander Damme; Andrea Deissenberger; Rian D. Dewhurst; Christian Horl; Thomas Kramer","A facile and selective route to remarkably inert monocyclic NHC-stabilized boriranes","Chem.Commun.","2015","51","","1627","","10.1039/C4cc09036E","","","0.71073","MoKα","","0.0554","0.0469","","","0.1122","0.1164","","","","","","1.088","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116424","34.6494","0.0007","34.6494","0.0007","16.6624","0.0004","90","","90","","120","","17324.5","0.6","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","Compound3a","","- C40.67 H53.33 N5 O4.17 Rh -","- C40.6668 H53.3336 N5 O4.1667 Rh -","- C732.002 H960.005 N90 O75.0006 Rh18 -","18","1","","Eva Jurgens; Barbara Wucher; Frank Rominger; Karl W. Tornroos; Doris Kunz","Selective rearrangement of terminal epoxides into methylketones catalysed by a nucleophilic rhodium-NHC-pincer complex","Chem.Commun.","2015","51","","1897","","10.1039/C4cc07154A","","","0.71073","MoKα","","0.1427","0.1148","","","0.2441","0.258","","","","","","1.186","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116425","21.7612","0.0005","21.6015","0.0005","23.3468","0.0005","90","","90.011","0.0007","90","","10974.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Compound3b","","- C109 H134 N15 O7 Rh3 -","- C109 H134 N15 O7 Rh3 -","- C436 H536 N60 O28 Rh12 -","4","1","","Eva Jurgens; Barbara Wucher; Frank Rominger; Karl W. Tornroos; Doris Kunz","Selective rearrangement of terminal epoxides into methylketones catalysed by a nucleophilic rhodium-NHC-pincer complex","Chem.Commun.","2015","51","","1897","","10.1039/C4cc07154A","","","0.71073","MoKα","","0.0762","0.0544","","","0.1335","0.146","","","","","","1.029","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116426","13.4876","0.0004","18.3802","0.0006","27.8072","0.0009","90","","90","","90","","6893.5","0.4","142.95","0.1","142.95","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H39 Ir N2 O2 S2 -","- C39 H39 Ir N2 O2 S2 -","- C312 H312 Ir8 N16 O16 S16 -","8","1","","Ming Li; Baozhan Zheng; Daibing Luo; Huiqin Sun; Ning Wang; Yan Huang; Jun Dai; Dan Xiao; Shi-Jian Su; Zhiyun Lu","Small molecular neutral microcrystalline iridium(III) complexes as promising molecular oxygen sensors","Chem.Commun.","2015","51","","1926","","10.1039/C4cc07252A","","","0.71073","MoKα","","0.0804","0.0598","","","0.1123","0.123","","","","","","1.15","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116427","12.8835","0.0003","14.7285","0.0004","16.0114","0.0004","103.949","0.002","93.493","0.002","103.298","0.002","2847.71","0.13","143","0.1","143","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H65 Cl2 Ir N2 O2 S2 -","- C60 H65 Cl2 Ir N2 O2 S2 -","- C120 H130 Cl4 Ir2 N4 O4 S4 -","2","1","","Ming Li; Baozhan Zheng; Daibing Luo; Huiqin Sun; Ning Wang; Yan Huang; Jun Dai; Dan Xiao; Shi-Jian Su; Zhiyun Lu","Small molecular neutral microcrystalline iridium(III) complexes as promising molecular oxygen sensors","Chem.Commun.","2015","51","","1926","","10.1039/C4cc07252A","","","0.7107","MoKα","","0.0464","0.0387","","","0.0877","0.0913","","","","","","1.032","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116428","18.4383","0.0005","18.6855","0.0006","19.9281","0.0006","107.775","0.003","99.052","0.002","117.763","0.003","5407.5","0.4","142.95","0.1","142.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31.25 H24 Ir N2 O2.25 S2 -","- C31.25 H23.75 Ir N2 O2.25 S2 -","- C250 H190 Ir8 N16 O18 S16 -","8","4","","Ming Li; Baozhan Zheng; Daibing Luo; Huiqin Sun; Ning Wang; Yan Huang; Jun Dai; Dan Xiao; Shi-Jian Su; Zhiyun Lu","Small molecular neutral microcrystalline iridium(III) complexes as promising molecular oxygen sensors","Chem.Commun.","2015","51","","1926","","10.1039/C4cc07252A","","","0.71073","MoKα","","0.0631","0.0444","","","0.0962","0.1056","","","","","","1.09","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7116429","7.8554","0.0016","13.428","0.003","14.296","0.003","74.64","0.03","83.39","0.03","82.18","0.03","1435.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N10 O18 S4 -","- C58 H58 N10 O18 S4 -","- C58 H58 N10 O18 S4 -","1","0.5","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.1297","0.0967","","","0.1691","0.1932","","","","","","0.906","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116430","10.5682","0.001","12.4098","0.001","13.8043","0.0016","70.117","0.002","82.636","0.003","85.85","0.002","1687.7","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 N10 O26 S4 -","- C58 H46 N10 O26 S4 -","- C58 H46 N10 O26 S4 -","1","0.5","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.0909","0.0701","","","0.1592","0.1793","","","","","","1.019","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116431","12.2027","0.0015","13.5862","0.0016","19.851","0.002","72.658","0.003","78.079","0.003","72.902","0.003","2977","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H61 N10 O19.5 S4 -","- C58 H46 N10 O19.5 S4 -","- C116 H92 N20 O39 S8 -","2","1","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.1738","0.0952","","","0.1967","0.2351","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116432","14.085","0.003","16.457","0.003","16.585","0.003","80.08","0.03","66.96","0.03","72.44","0.03","3366.4","1.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H68 N11 O18.5 S4 -","- C65 H57 N11 O18.5 S4 -","- C130 H114 N22 O37 S8 -","2","1","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.1651","0.0798","","","0.1617","0.2144","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116433","13.9","0.003","16.237","0.003","16.444","0.003","79.98","0.03","66.84","0.03","73.12","0.03","3257.7","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N11 O19 S4 -","- C65 H57 N11 O19 S4 -","- C130 H114 N22 O38 S8 -","2","1","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.1209","0.0866","","","0.2146","0.2397","","","","","","1.013","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116434","14.166","0.003","16.38","0.003","18.029","0.004","103.04","0.03","109.53","0.03","98.05","0.03","3733.8","1.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H69 N10 O21.5 S4 -","- C62 H50 N10 O21.5 S4 -","- C124 H100 N20 O43 S8 -","2","1","","Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler","Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization","Chem.Commun.","2015","51","","1795","","10.1039/C4cc08284B","","","0.71073","MoKα","","0.1912","0.0984","","","0.1985","0.2439","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116435","10.8583","0.0004","18.3496","0.0009","22.4335","0.0009","90","","91.834","0.001","90","","4467.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 Br4 N8 O22 -","- C88 H92 Br4 N8 O4 -","- C176 H184 Br8 N16 O8 -","2","0.5","","Wei Zhang; Yi Li; Jing-Hua Sun; Cai-Ping Tan; Liang-Nian Ji; Zong-Wan Mao","Supramolecular self-assembled nanoparticles for chemo-photodynamic dual therapy against cisplatin resistant cancer cells","Chem.Commun.","2015","51","","1807","","10.1039/C4cc08583C","","","0.71073","MoKα","","0.0971","0.0621","","","0.1695","0.1938","","","","","","1.095","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116436","23.491","0.003","10.5581","0.0014","16.883","0.002","90","","99.21","0.002","90","","4133.3","0.9","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 -","- C56 H42 -","- C224 H168 -","4","0.5","","Guoying Zhang; Yinjun Xie; Zhengkun Wang; Yang Liu; Hanmin Huang","Diboron as a reductant for nickel-catalyzed reductive coupling: rational design and mechanistic studies","Chem.Commun.","2015","51","","1850","","10.1039/C4cc08703H","","","0.71073","MoKα","","0.0694","0.0446","","","0.1423","0.1758","","","","","","1.013","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116437","14.3679","0.0013","14.8455","0.0014","16.0061","0.0015","75.95","0.002","83.391","0.002","83.523","0.002","3277.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H80 O S -","- C74 H80 O S -","- C148 H160 O2 S2 -","2","1","","Guoying Zhang; Yinjun Xie; Zhengkun Wang; Yang Liu; Hanmin Huang","Diboron as a reductant for nickel-catalyzed reductive coupling: rational design and mechanistic studies","Chem.Commun.","2015","51","","1850","","10.1039/C4cc08703H","","","0.71073","MoKα","","0.1471","0.097","","","0.2612","0.2973","","","","","","1.028","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116438","23.855","0.005","26.655","0.005","27.082","0.005","90","","90","","90","","17220","6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C132 H120 N24 -","- C132 H120 N24 -","- C528 H480 N96 -","4","1","","Huimin Ding; Yihui Yang; Bijian Li; Feng Pan; Guozhu Zhu; Matthias Zeller; Daqiang Yuan; Cheng Wang","Targeted synthesis of a large triazine-based [4+6] organic molecular cage: structure, porosity and gas separation","Chem.Commun.","2015","51","","1976","","10.1039/C4cc08883B","","","0.8","synchrotron","","0.0798","0.0603","","","0.1583","0.1734","","","","","","0.958","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116439","16.7562","0.0006","16.3493","0.0008","27.6506","0.0009","90","","91.707","0.001","90","","7571.6","0.5","185","2","185","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H90 F6 N8 Na O10 P Rh4 -","- C65 H86 F6 N8 Na O10 P Rh4 -","- C260 H344 F24 N32 Na4 O40 P4 Rh16 -","4","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.1115","0.0811","","","0.227","0.2495","","","","","","1.03","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116440","16.662","0.0007","16.4372","0.0007","27.4724","0.001","90","","94.94","0.001","90","","7496.1","0.5","233","2","233","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H92 B F4 N8 Na O11 Rh4 -","- C65 H86 B F4 N8 Na O11 Rh4 -","- C260 H344 B4 F16 N32 Na4 O44 Rh16 -","4","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0789","0.0605","","","0.1696","0.1818","","","","","","1.028","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116441","22.6289","0.0007","21.7265","0.0007","29.7275","0.0015","90","","90","","90","","14615.4","1","186","2","186","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H87 N12 Na O12 Rh4 -","- C66 H82 N12 Na O12 Rh4 -","- C528 H656 N96 Na8 O96 Rh32 -","8","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0578","0.0434","","","0.1332","0.1464","","","","","","1.052","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116442","11.3211","0.0007","18.6735","0.001","18.7302","0.0008","89.602","0.002","75.171","0.002","87.676","0.003","3824.6","0.4","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H97.5 Ca N10.5 O22 Rh4 -","- C62 H79 Ca N10.5 O21.99 Rh4 -","- C124 H158 Ca2 N21 O43.98 Rh8 -","2","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.066","0.0545","","","0.1441","0.1585","","","","","","1.068","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116443","18.7826","0.001","19.9113","0.0012","10.6111","0.0005","90","","90","","90","","3968.4","0.4","186","2","186","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H83 La N12 O19 Rh4 -","- C62 H70.294 La N12 O19 Rh4 -","- C124 H140.588 La2 N24 O38 Rh8 -","2","0.5","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0723","0.0624","","","0.174","0.1827","","","","","","1.069","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116444","18.4641","0.0007","19.8783","0.0008","10.5405","0.0003","90","","90","","90","","3868.7","0.2","186","2","186","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C62 H83 Eu N12 O19 Rh4 -","- C62 H73.348 Eu N12 O19 Rh4 -","- C124 H146.696 Eu2 N24 O38 Rh8 -","2","0.5","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0578","0.0493","","","0.1256","0.1349","","","","","","1.077","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116445","13.9749","0.0006","18.7743","0.0006","28.0431","0.001","90","","93.975","0.001","90","","7339.9","0.5","191","2","191","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H86 Dy N13 O20 Rh4 -","- C66 H82 Dy N13 O20 Rh4 -","- C264 H328 Dy4 N52 O80 Rh16 -","4","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0602","0.0507","","","0.1262","0.1323","","","","","","0.965","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116446","13.8619","0.0004","18.8672","0.0008","28.1155","0.0009","90","","93.687","0.001","90","","7338","0.4","193","2","191","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H86 Er N13 O20 Rh4 -","- C66 H82 Er N13 O20 Rh4 -","- C264 H328 Er4 N52 O80 Rh16 -","4","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0917","0.0668","","","0.1652","0.181","","","","","","0.986","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116447","12.9489","0.0011","12.9489","0.0011","70.484","0.006","90","","90","","90","","11818.3","1.7","100","2","100","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C57 H48 B Cl2 F24 Ir N P S -","- C57 H48 B Cl2 F24 Ir N P S -","- C456 H384 B8 Cl16 F192 Ir8 N8 P8 S8 -","8","1","","Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer","Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines","Chem.Commun.","2015","51","","1941","","10.1039/C4cc09106J","","","0.71073","MoKα","","0.0695","0.0572","","","0.1193","0.1241","","","","","","1.112","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116448","10.793","0.0018","11.0539","0.0018","11.3385","0.0018","90","","90","","90","","1352.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 B N P -","- C12 H21 B N P -","- C48 H84 B4 N4 P4 -","4","1","","Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer","Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines","Chem.Commun.","2015","51","","1941","","10.1039/C4cc09106J","","","0.71073","MoKα","","0.0428","0.0383","","","0.1102","0.1167","","","","","","0.863","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116449","28.621","0.007","26.533","0.008","9.756","0.003","90","","90","","90","","7409","4","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C34 H34 N2 O4 S4 -","- C34 H34 N2 O4 S4 -","- C272 H272 N16 O32 S32 -","8","","","Yu Jiang; Xiang-Ying Tang; Min Shi","A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles","Chem.Commun.","2015","51","","2122","","10.1039/C4cc08829H","","","0.71073","MoKα","","0.2146","0.0887","","","0.1676","0.1994","","","","","","0.882","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116450","9.597","0.0013","13.9714","0.0019","14.765","0.002","105.066","0.003","107.053","0.003","97.126","0.003","1784.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N2 O4 S4 -","- C36 H38 N2 O4 S4 -","- C72 H76 N4 O8 S8 -","2","1","","Yu Jiang; Xiang-Ying Tang; Min Shi","A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles","Chem.Commun.","2015","51","","2122","","10.1039/C4cc08829H","","","0.71073","MoKα","","0.0706","0.0614","","","0.1678","0.18","","","","","","1.046","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116451","9.6224","0.001","14.3505","0.0014","13.0206","0.0013","90","","102.158","0.002","90","","1757.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C72 H76 N4 O8 S8 -","4","1","","Yu Jiang; Xiang-Ying Tang; Min Shi","A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles","Chem.Commun.","2015","51","","2122","","10.1039/C4cc08829H","","","0.71073","MoKα","","0.0534","0.0414","","","0.1103","0.1184","","","","","","1.028","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116452","8.153","0.009","8.436","0.008","10.959","0.01","86.72","0.03","72.91","0.02","72.86","0.02","688.1","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C30 H32 O8 -","2","1","","Li, Xing Guang; Sun, Min; Liu, Kai; Jin, Qiao; Liu, Pei Nian","Rh(III)-catalyzed C‒H activation/cyclization of benzamides and diazo compounds to form isocoumarins and α-pyrones","Chemical Communications (Cambridge, United Kingdom)","2015","51","12","2380","2383","10.1039/c4cc09314c","","","0.71073","MoKα","","0.1073","0.0468","","","0.112","0.1336","","","","","","0.898","","","","has coordinates","210856","2020-10-21","18:00:00",""
"7116453","5.3666","0.0003","14.0877","0.0007","11.0289","0.0006","90","","94.065","0.003","90","","831.72","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C40 H34 N6 O6 -","2","1","","Daniel Hack; Pankaj Chauhan; Kristina Deckers; Yusuke Mizutani; Gerhard Raabe; Dieter Enders","Combining silver- and organocatalysis: an enantioselective sequential catalytic approach towards pyrano-annulated pyrazoles","Chem.Commun.","2015","51","","2266","","10.1039/C4cc09495F","","","1.54178","CuKα","","0.031","0.031","","0.035","","0.035","","","1.271","","","1.273","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116454","8.5618","0.0007","8.4049","0.0009","18.442","0.002","90","","93.163","0.005","90","","1325.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Fiene Horeischi; Claudia Guttroff; Bernd Plietker","The enantioselective total synthesis of (+)-clusianone","Chem.Commun.","2015","51","","2259","","10.1039/C4cc09701G","","","0.71073","MoKα","","0.1314","0.0538","","","0.0736","0.084","","","","","","1.024","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116455","10.6651","0.0012","14.1041","0.0016","17.531","0.002","90","","101.441","0.002","90","","2584.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(+/-)-9-Iodo-1,2,3,4,5,6,7,8-octahydro-1,4;5,8-anti-dimethanoanthracene","","- C16 H17 I -","- C16 H17 I -","- C128 H136 I8 -","8","2","","Stephen J. Murray; Hasim Ibrahim","Asymmetric Kita spirolactonisation catalysed by anti-dimethanoanthracene-based iodoarenes","Chem.Commun.","2015","51","","2376","","10.1039/C4cc09724F","","","0.71073","MoKα","","0.0364","0.0293","","","0.0697","0.0721","","","","","","1.054","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116456","10.6406","0.0004","11.0802","0.0005","21.8683","0.0008","90","","90","","90","","2578.27","0.18","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Pankaj Chauhan; Suruchi Mahajan; Gerhard Raabe; Dieter Enders","Organocatalytic one-pot 1,4-/1,6-/1,2-addition sequence for the stereocontrolled formation of six consecutive stereocenters","Chem.Commun.","2015","51","","2270","","10.1039/C4cc09730K","","","1.54178","CuKα","","0.028","0.028","","0.03","","0.03","","","1.004","","","1.009","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116457","19.854","0.004","24.158","0.005","25.212","0.005","99.59","0.03","106.63","0.03","106.33","0.03","10710","5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C229 H308 Cl3 Eu2 N20 O16 -","- C229 H306 Cl3 Eu2 N20 O16 -","- C458 H612 Cl6 Eu4 N40 O32 -","2","1","","Guifen Lu; Sen Yan; Mengying Shi; Wenhan Yu; Jing Li; Weihua Zhu; Zhongping Ou; Karl M. Kadish","A new class of rare earth tetrapyrrole sandwich complexes containing corrole and phthalocyanine macrocycles: synthesis, physicochemical characterization and X-ray analysis","Chem.Commun.","2015","51","","2411","","10.1039/C4cc09755F","","","0.71073","MoKα","","0.1522","0.1208","","","0.3465","0.3804","","","","","","1.242","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116458","15.517","0.002","8.4691","0.0013","23.518","0.003","90","","90","","90","","3090.6","0.7","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 -","- C21 H18 N2 -","- C168 H144 N16 -","8","1","","Yang, Xiao-Fei; Hu, Xu-Hong; Feng, Chao; Loh, Teck-Peng","Rhodium(iii)-catalyzed C7-position C-H alkenylation and alkynylation of indolines.","Chemical communications (Cambridge, England)","2015","51","13","2532","2535","10.1039/c4cc09330e","","","0.71073","","","0.1334","0.0641","","","0.1393","0.1733","","","","","","1.034","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116459","7.7419","0.0003","14.8215","0.0006","21.0488","0.0008","75.571","0.002","80.3817","0.0019","85.172","0.002","2303.92","0.16","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 Si -","- C25 H34 N2 Si -","- C100 H136 N8 Si4 -","4","2","","Yang, Xiao-Fei; Hu, Xu-Hong; Feng, Chao; Loh, Teck-Peng","Rhodium(iii)-catalyzed C7-position C-H alkenylation and alkynylation of indolines.","Chemical communications (Cambridge, England)","2015","51","13","2532","2535","10.1039/c4cc09330e","","","0.71073","MoKα","","0.0802","0.0547","","","0.128","0.1425","","","","","","1.068","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116460","26.7294","0.0015","8.902","0.0005","20.8098","0.0011","90","","90.4289","0.0019","90","","4951.5","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl4 N2 Rh -","- C24 H27 Cl4 N2 Rh -","- C192 H216 Cl32 N16 Rh8 -","8","2","","Yang, Xiao-Fei; Hu, Xu-Hong; Feng, Chao; Loh, Teck-Peng","Rhodium(iii)-catalyzed C7-position C-H alkenylation and alkynylation of indolines.","Chemical communications (Cambridge, England)","2015","51","13","2532","2535","10.1039/c4cc09330e","","","0.71073","MoKα","","0.1261","0.0855","","","0.1836","0.2038","","","","","","1.062","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116461","6.9566","0.0004","8.3315","0.0005","23.1202","0.0012","95.844","0.002","90.57","0.002","96.433","0.002","1324.35","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","2","","Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng","Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.","Chemical communications (Cambridge, England)","2015","51","13","2656","2659","10.1039/c4cc08958h","","","0.71073","MoKα","","0.051","0.0351","","","0.0798","0.0886","","","","","","1.022","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7116462","7.0915","0.0003","10.1014","0.0005","10.3857","0.0005","86.948","0.002","70.988","0.001","86.697","0.001","701.75","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 B F2 N2 O -","- C17 H13 B F2 N2 O -","- C34 H26 B2 F4 N4 O2 -","2","1","","Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng","Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.","Chemical communications (Cambridge, England)","2015","51","13","2656","2659","10.1039/c4cc08958h","","","0.71073","MoKα","","0.0516","0.0353","","","0.0855","0.0956","","","","","","1.017","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116463","18.0013","0.0006","6.9212","0.0002","20.263","0.0007","90","","116.034","0.002","90","","2268.42","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 B F2 N3 O -","- C29 H22 B F2 N3 O -","- C116 H88 B4 F8 N12 O4 -","4","1","","Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng","Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.","Chemical communications (Cambridge, England)","2015","51","13","2656","2659","10.1039/c4cc08958h","","","0.71073","MoKα","","0.0727","0.0401","","","0.0857","0.1025","","","","","","1.01","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116464","7.1054","0.0007","11.1114","0.001","11.9627","0.0012","96.493","0.003","106.301","0.003","105.521","0.002","855.17","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 B F2 N2 O -","- C22 H15 B F2 N2 O -","- C44 H30 B2 F4 N4 O2 -","2","1","","Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng","Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.","Chemical communications (Cambridge, England)","2015","51","13","2656","2659","10.1039/c4cc08958h","","","0.71073","MoKα","","0.0627","0.0513","","","0.1463","0.1579","","","","","","1.042","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116465","14.9332","0.0005","11.3243","0.0004","17.9422","0.0006","90","","94.526","0.002","90","","3024.71","0.18","100","0.1","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H24 B F2 N3 O -","- C34 H24 B F2 N3 O -","- C136 H96 B4 F8 N12 O4 -","4","1","","Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng","Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.","Chemical communications (Cambridge, England)","2015","51","13","2656","2659","10.1039/c4cc08958h","","","0.71073","MoKα","","0.1192","0.0631","","","0.1583","0.1745","","","","","","1.129","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116466","13.099","0.017","9.359","0.012","24.26","0.03","90","","90","","90","","2974","7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O -","- C20 H15 N O -","- C160 H120 N8 O8 -","8","1","","Yan, Rulong; Li, Xiaoni; Yang, Xiaodong; Kang, Xing; Xiang, Likui; Huang, Guosheng","A novel one-pot method for the synthesis of substituted furopyridines: iodine-mediated oxidation of enaminones by tandem metal-free cyclization.","Chemical communications (Cambridge, England)","2015","51","13","2573","2576","10.1039/c4cc08834d","","","0.71073","MoKα","","0.2492","0.0858","","","0.1204","0.1654","","","","","","1.021","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116467","7.4452","0.0003","19.3722","0.0006","11.2423","0.0003","90","","91.073","0.004","90","","1621.19","0.09","294.64","0.1","294.64","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I N O -","- C20 H14 I N O -","- C80 H56 I4 N4 O4 -","4","1","","Yan, Rulong; Li, Xiaoni; Yang, Xiaodong; Kang, Xing; Xiang, Likui; Huang, Guosheng","A novel one-pot method for the synthesis of substituted furopyridines: iodine-mediated oxidation of enaminones by tandem metal-free cyclization.","Chemical communications (Cambridge, England)","2015","51","13","2573","2576","10.1039/c4cc08834d","","","0.71073","MoKα","","0.0538","0.039","","","0.086","0.0981","","","","","","1.054","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116468","11.316","0.002","24.717","0.002","14.0638","0.0011","90","","100.065","0.003","90","","3873.1","0.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 F12 N3 O15 P3 -","- C64 H80 F12 N3 O15 P3 -","- C128 H160 F24 N6 O30 P6 -","2","1","","Wang, Qi; Cheng, Ming; Xiong, Shuhan; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong; Pan, Yi","P[double bond, length as m-dash]O functional group-containing cryptands: from supramolecular complexes to poly[2]pseudorotaxanes.","Chemical communications (Cambridge, England)","2015","51","13","2667","2670","10.1039/c4cc09487e","","","0.71073","MoKα","","0.0551","0.054","","","0.1368","0.1372","","","","","","1.064","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116469","17.2062","0.0004","23.6008","0.0005","18.4826","0.0004","90","","90.615","0.002","90","","7505","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H73 F12 N2 O13 P3 -","- C62 H73 F12 N2 O13 P3 -","- C248 H292 F48 N8 O52 P12 -","4","1","","Wang, Qi; Cheng, Ming; Xiong, Shuhan; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong; Pan, Yi","P[double bond, length as m-dash]O functional group-containing cryptands: from supramolecular complexes to poly[2]pseudorotaxanes.","Chemical communications (Cambridge, England)","2015","51","13","2667","2670","10.1039/c4cc09487e","","","1.54178","CuKα","","0.1662","0.1127","","","0.2147","0.2295","","","","","","1.154","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116470","12.4084","0.0005","6.0932","0.0002","26.1861","0.0009","90","","96.043","0.003","90","","1968.85","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Khan, Imtiaz; Chidipudi, Suresh Reddy; Lam, Hon Wai","Synthesis of spiroindanes by palladium-catalyzed oxidative annulation of non- or weakly activated 1,3-dienes involving C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","13","2613","2616","10.1039/c4cc09496d","","x-ray","1.54184","CuKα","","0.0454","0.0384","","","0.0896","0.0937","","","","","","1.062","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116471","12.4763","0.0003","6.01195","0.00015","26.1383","0.0008","90","","97.18","0.003","90","","1945.18","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl O2 -","- C24 H23 Cl O2 -","- C96 H92 Cl4 O8 -","4","1","","Khan, Imtiaz; Chidipudi, Suresh Reddy; Lam, Hon Wai","Synthesis of spiroindanes by palladium-catalyzed oxidative annulation of non- or weakly activated 1,3-dienes involving C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","13","2613","2616","10.1039/c4cc09496d","","x-ray","1.54184","CuKα","","0.0385","0.0331","","","0.0826","0.0865","","","","","","1.036","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116472","9.89753","0.00016","24.4163","0.0004","9.00094","0.00016","90","","93.3654","0.0014","90","","2171.43","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Khan, Imtiaz; Chidipudi, Suresh Reddy; Lam, Hon Wai","Synthesis of spiroindanes by palladium-catalyzed oxidative annulation of non- or weakly activated 1,3-dienes involving C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","13","2613","2616","10.1039/c4cc09496d","","x-ray","1.54184","CuKα","","0.0428","0.0367","","","0.092","0.0968","","","","","","1.023","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116473","9.3875","0.0003","10.893","0.0004","18.522","0.0007","90","","95.417","0.003","90","","1885.56","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","1","","Khan, Imtiaz; Chidipudi, Suresh Reddy; Lam, Hon Wai","Synthesis of spiroindanes by palladium-catalyzed oxidative annulation of non- or weakly activated 1,3-dienes involving C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","13","2613","2616","10.1039/c4cc09496d","","x-ray","1.54184","CuKα","","0.0424","0.0378","","","0.0968","0.1008","","","","","","1.038","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116476","8.5409","0.0004","11.3926","0.0005","13.7162","0.0006","69.634","0.001","87.763","0.001","71.53","0.001","1182.94","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 Cl Ir N3 -","- C25 H35 Cl Ir N3 -","- C50 H70 Cl2 Ir2 N6 -","2","1","","He, Fan; Braunstein, Pierre; Wesolek, Marcel; Danopoulos, Andreas A.","Imine-functionalised protic NHC complexes of Ir: direct formation by C-H activation.","Chemical communications (Cambridge, England)","2015","51","14","2814","","10.1039/c4cc10109j","","","0.71073","MoKα","","0.0253","0.0202","","","0.0434","0.0455","","","","","","1.1","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116477","22.1698","0.0009","20.5501","0.0008","14.5843","0.0006","90","","110.936","0.001","90","","6205.8","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 B Cl F4 Ir N3 -","- C25 H36 B Cl F4 Ir N3 -","- C200 H288 B8 Cl8 F32 Ir8 N24 -","8","1","","He, Fan; Braunstein, Pierre; Wesolek, Marcel; Danopoulos, Andreas A.","Imine-functionalised protic NHC complexes of Ir: direct formation by C-H activation.","Chemical communications (Cambridge, England)","2015","51","14","2814","","10.1039/c4cc10109j","","","0.71073","MoKα","","0.0469","0.0333","","","0.0756","0.0812","","","","","","1.069","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116478","8.7044","0.0003","21.9069","0.0008","19.1631","0.0006","90","","115.407","0.001","90","","3300.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Cl2 Ir2 N3 -","- C33 H47 Cl2 Ir2 N3 -","- C132 H188 Cl8 Ir8 N12 -","4","1","","He, Fan; Braunstein, Pierre; Wesolek, Marcel; Danopoulos, Andreas A.","Imine-functionalised protic NHC complexes of Ir: direct formation by C-H activation.","Chemical communications (Cambridge, England)","2015","51","14","2814","","10.1039/c4cc10109j","","","0.71073","MoKα","","0.045","0.0309","","","0.0601","0.066","","","","","","1.042","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116479","12.2904","0.0003","13.329","0.0005","19.4944","0.0006","86.542","0.002","72.6","0.002","62.575","0.004","2693.6","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H68 Ir2 N6 -","- C50 H68 Ir2 N6 -","- C100 H136 Ir4 N12 -","2","1","","He, Fan; Braunstein, Pierre; Wesolek, Marcel; Danopoulos, Andreas A.","Imine-functionalised protic NHC complexes of Ir: direct formation by C-H activation.","Chemical communications (Cambridge, England)","2015","51","14","2814","","10.1039/c4cc10109j","","","0.71073","MoKα","","0.0528","0.038","","","0.1102","0.1169","","","","","","1.083","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116480","10.275","0.0004","10.7121","0.0004","13.6503","0.0005","105.834","0.001","110.036","0.001","97.403","0.001","1316.23","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 F6 Ir N3 P -","- C25 H35 F6 Ir N3 P -","- C50 H70 F12 Ir2 N6 P2 -","2","1","","He, Fan; Braunstein, Pierre; Wesolek, Marcel; Danopoulos, Andreas A.","Imine-functionalised protic NHC complexes of Ir: direct formation by C-H activation.","Chemical communications (Cambridge, England)","2015","51","14","2814","","10.1039/c4cc10109j","","","0.71073","MoKα","","0.0448","0.0329","","","0.0744","0.0786","","","","","","1.036","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116481","13.7199","0.0005","12.3613","0.0005","28.1443","0.001","90","","96.935","0.004","90","","4738.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H43 N P2 -","- C22 H43 N P2 -","- C176 H344 N8 P16 -","8","2","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0977","0.0562","","","0.1126","0.1289","","","","","","1.024","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116482","24.1538","0.0005","13.7672","0.0003","12.0771","0.0003","90","","90","","90","","4016","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 Li2 N2 P4 -","- C36 H68 Li2 N2 P4 -","- C144 H272 Li8 N8 P16 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0448","0.0355","","","0.0784","0.0821","","","","","","1.062","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116483","11.4257","0.0002","14.471","0.0003","15.0601","0.0003","90","","90","","90","","2490.06","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","1.54184","CuKα","","0.0252","0.0241","","","0.0593","0.0599","","","","","","1.034","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116484","13.9339","0.0005","16.4179","0.0005","24.9947","0.0008","108.376","0.003","96.539","0.003","97.87","0.003","5299.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H90 Hg N2 Ni2 P4 -","- C50 H90 Hg N2 Ni2 P4 -","- C200 H360 Hg4 N8 Ni8 P16 -","4","2","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.071","0.0403","","","0.0672","0.076","","","","","","1.033","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116485","13.2113","0.0006","14.5597","0.0008","21.1415","0.0012","90","","90","","90","","4066.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H35 N Ni P2 -","- C18 H35 N Ni P2 -","- C144 H280 N8 Ni8 P16 -","8","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0732","0.0415","","","0.0783","0.0887","","","","","","1.041","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116486","11.0422","0.0002","14.7303","0.0002","14.7768","0.0002","90","","90","","90","","2403.52","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H43 N Ni P2 -","- C22 H43 N Ni P2 -","- C88 H172 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0237","0.0204","","","0.0463","0.0474","","","","","","1.056","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116487","15.7937","0.0004","13.5622","0.0003","20.653","0.0005","90","","90","","90","","4423.82","0.18","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H35 N Ni O2 P2 -","- C19 H35 N Ni O2 P2 -","- C152 H280 N8 Ni8 O16 P16 -","8","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","1.54184","CuKα","","0.0301","0.0257","","","0.0644","0.0667","","","","","","1.04","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116488","11.4225","0.0004","14.6398","0.0005","14.939","0.0005","90","","90","","90","","2498.15","0.15","100","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wb30may14","","","- C23 H45 N Ni P2 -","- C23 H45 N Ni P2 -","- C92 H180 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","","","0.0237","0.021","","","0.0488","0.0499","","","","","","1.066","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116489","15.236","0.0016","14.7664","0.0016","16.0081","0.0017","90","","118.237","0.005","90","","3172.9","0.6","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","(N,N,N-tris(2-pyridylmethyl)ethylenediamine-N-acetate)chromium(IV)peroxo diperhlorate","","- C22 H33 Cl2 Cr N5 O19 -","- C22 H31 Cl2 Cr N5 O19 -","- C88 H124 Cl8 Cr4 N20 O76 -","4","1","","de Sousa, David P.; Bigelow, Jennifer O.; Sundberg, Jonas; Que, Lawrence; McKenzie, Christine J.","Caught! Crystal trapping of a side-on peroxo bound to Cr(iv).","Chemical communications (Cambridge, England)","2015","51","14","2802","","10.1039/c4cc08785b","","","0.71073","MoKα","","0.1298","0.103","","","0.2841","0.302","","","","","","1.054","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116490","16.3004","0.0014","12.4635","0.0011","13.5694","0.0012","90","","91.647","0.005","90","","2755.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1","N,N,N-tris(2-pyridylmethyl)ethylenediamine-N-acetate-chromium(III) diperchlorate","","- C24 H28 Cl2 Cr N5 O11 -","- C24 H28 Cl2 Cr N5 O11 -","- C96 H112 Cl8 Cr4 N20 O44 -","4","1","","de Sousa, David P.; Bigelow, Jennifer O.; Sundberg, Jonas; Que, Lawrence; McKenzie, Christine J.","Caught! Crystal trapping of a side-on peroxo bound to Cr(iv).","Chemical communications (Cambridge, England)","2015","51","14","2802","","10.1039/c4cc08785b","","","0.71073","MoKα","","0.0341","0.0281","","","0.0796","0.0878","","","","","","1.088","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116491","7.8653","0.0006","12.7093","0.001","12.7665","0.0009","105.75","0.002","100.5","0.002","105.51","0.002","1137.98","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SSB-10-100","Methyl 5,6-dimethoxy-1-methyl-4,7bis(phenylethynyl)-1H-indole-2-carboxylate","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C58 H46 N2 O8 -","2","1","","Selvaraju, Subhashini; Niradha Sachinthani, K. A.; Hopson, RaiAnna A; McFarland, Frederick M.; Guo, Song; Rheingold, Arnold L.; Nelson, Toby L.","Eumelanin-inspired core derived from vanillin: a new building block for organic semiconductors.","Chemical communications (Cambridge, England)","2015","51","14","2957","","10.1039/c4cc09011j","","","0.71073","MoKα","","0.0819","0.0498","","","0.1161","0.1347","","","","","","1.035","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116492","23.2738","0.0011","23.2738","0.0011","33.9318","0.0014","90","","90","","120","","15917.4","1.3","291","2","291","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C168 H96 N9 O53 Zn17 -","- C168 H96 N9 O53 Zn17 -","- C504 H288 N27 O159 Zn51 -","3","0.166667","","Hu, Jin-Song; Zhang, Lei; Qin, Ling; Zheng, He-Gen; Zhang, Xiang-Biao","A rare three-coordinated zinc cluster-organic framework with two types of secondary building units.","Chemical communications (Cambridge, England)","2015","51","14","2899","","10.1039/c4cc09782c","","","0.71073","MoKα","","0.0632","0.0492","","","0.103","0.1066","","","","","","1.087","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116493","12.4416","0.0009","15.7773","0.0011","28.046","0.002","90","","102.532","0.002","90","","5374.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 N5 O10 Os3 P2 -","- C54 H65 N5 O10 Os3 P2 -","- C216 H260 N20 O40 Os12 P8 -","4","1","","Lipeng Wu; Qiang Liu; Anke Spannenberg; alf Jackstell; Matthias Beller","Highly regioselective osmium-catalyzed hydroformylation","Chem.Commun.","2015","51","","3080","","10.1039/C4cc05626D","","","0.71073","MoKα","","0.0265","0.0198","","","0.0408","0.043","","","","","","1.049","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116494","20.642","0.012","78.16","0.05","8.624","0.005","90","","90","","90","","13914","14","113","2","113","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C60 H50 N2 O10 -","- C60 H50 N2 O10 -","- C480 H400 N16 O80 -","8","0.5","","Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li","Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework","Chem.Commun.","2015","51","","3045","","10.1039/C4cc07642G","","","0.71075","MoKα","","0.1096","0.0971","","","0.2908","0.3052","","","","","","1.067","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116495","36.929","0.005","31.08","0.004","11.8533","0.0017","90","","99.228","0.002","90","","13429","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 O8 Zn2 -","- C54 H32 O8 Zn2 -","- C432 H256 O64 Zn16 -","8","1","","Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li","Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework","Chem.Commun.","2015","51","","3045","","10.1039/C4cc07642G","","","0.7749","synchrotron","","0.1126","0.0898","","","0.2803","0.2935","","","","","","1.058","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116496","11.302","0.0005","12.6719","0.0006","17.2731","0.0008","91.27","0.001","103.597","0.001","99.07","0.001","2369.89","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H77 Li2 N3 O4 -","- C49 H77 Li2 N3 O4 -","- C98 H154 Li4 N6 O8 -","2","1","","Andreas A. Danopoulos; Pierre Braunstein; Elixabete Rezabal; Gilles Frison","Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms","Chem.Commun.","2015","51","","3049","","10.1039/C4cc08434A","","","0.71073","MoKα","","0.1103","0.0633","","","0.1578","0.1879","","","","","","1.021","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116497","10.8651","0.0006","14.5756","0.0009","20.5112","0.0013","102.51","0.002","100.746","0.001","106.653","0.001","2928.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H95 Li2 N3 O6 -","- C61 H95 Li2 N3 O6 -","- C122 H190 Li4 N6 O12 -","2","1","","Andreas A. Danopoulos; Pierre Braunstein; Elixabete Rezabal; Gilles Frison","Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms","Chem.Commun.","2015","51","","3049","","10.1039/C4cc08434A","","","0.71073","MoKα","","0.1664","0.0744","","","0.1796","0.2164","","","","","","1.019","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116498","31.4483","0.0016","18.8909","0.001","26.5581","0.0013","90","","94.384","0.001","90","","15731.7","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H106 Li4 N6 O2 -","- C74 H106 Li4 N6 O2 -","- C592 H848 Li32 N48 O16 -","8","1","","Andreas A. Danopoulos; Pierre Braunstein; Elixabete Rezabal; Gilles Frison","Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms","Chem.Commun.","2015","51","","3049","","10.1039/C4cc08434A","","","0.71073","MoKα","","0.2398","0.0985","","","0.2484","0.2983","","","","","","0.895","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116499","10.3657","0.0009","13.2968","0.0011","16.2518","0.0014","90","","90","","90","","2240","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H20 F12 N4 Ni P -","- C18 H20 F12 N4 Ni P -","- C72 H80 F48 N16 Ni4 P4 -","4","0.25","","Fengzhi Tang; Nigam P. Rath; Liviu M. Mirica","Stable bis(trifluoromethyl)nickel(III) complexes","Chem.Commun.","2015","51","","3113","","10.1039/C4cc09594D","","","0.71073","MoKα","","0.1004","0.0859","","","0.2402","0.2561","","","","","","1.1","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116500","10.2621","0.0005","19.5073","0.0008","13.473","0.0006","90","","96.154","0.003","90","","2681.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H76 F12 N8 Ni2 -","- C53 H76 F12 N8 Ni2 -","- C106 H152 F24 N16 Ni4 -","2","0.5","","Fengzhi Tang; Nigam P. Rath; Liviu M. Mirica","Stable bis(trifluoromethyl)nickel(III) complexes","Chem.Commun.","2015","51","","3113","","10.1039/C4cc09594D","","","0.71073","MoKα","","0.061","0.0384","","","0.0816","0.0905","","","","","","1.019","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116501","14.2479","0.0013","14.493","0.0015","30.515","0.003","90","","90","","90","","6301.2","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 F12 N4 Ni O P -","- C28 H40 F12 N4 Ni O P -","- C224 H320 F96 N32 Ni8 O8 P8 -","8","1","","Fengzhi Tang; Nigam P. Rath; Liviu M. Mirica","Stable bis(trifluoromethyl)nickel(III) complexes","Chem.Commun.","2015","51","","3113","","10.1039/C4cc09594D","","","0.71073","MoKα","","0.1687","0.0647","","","0.138","0.1906","","","","","","1.006","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116502","10.0526","0.0016","11.8019","0.0018","14.793","0.002","74.19","0.003","89.42","0.003","75.231","0.003","1629.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H90 N2 O8 Si4 Ti2 -","- C70 H90 N2 O8 Si4 Ti2 -","- C70 H90 N2 O8 Si4 Ti2 -","1","0.5","","Christian Godemann; Laura Dura; Dirk Hollmann; Kathleen Grabow; Ursula Bentrup; Haijun Jiao; Axel Schulz; Angelika Bruckner; Torsten Beweries","Highly selective visible light-induced Ti-O bond splitting in an ansa-titanocene dihydroxido complex","Chem.Commun.","2015","51","","3065","","10.1039/C4cc09733E","","","0.71073","MoKα","","0.064","0.0376","","","0.0854","0.0943","","","","","","1.008","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116503","9.516","0.006","9.914","0.006","14.152","0.008","95.215","0.007","95.676","0.01","105.908","0.005","1267.9","1.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl3 Ir N2 -","- C25 H36 Cl3 Ir N2 -","- C50 H72 Cl6 Ir2 N4 -","2","1","","Y. Gothe; T. Marzo; L. Messori; N. Metzler-Nolte","Cytotoxic activity and protein binding through an unusual oxidative mechanism by an iridium(I)-NHC complex","Chem.Commun.","2015","51","","3151","","10.1039/C4cc10014J","","","0.71073","MoKα","","0.0455","0.0442","","","0.1082","0.1093","","","","","","1.082","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116504","11.2196","0.0004","12.1534","0.0004","11.867","0.0004","90","","112.497","0.001","90","","1495","0.09","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Marcel Hartmann; Constantin Gabriel Daniliuc; Armido Studer","Preparation of phenanthrenes from ortho-amino-biphenyls and alkynes via base-promoted homolytic aromatic substitution","Chem.Commun.","2015","51","","3121","","10.1039/C4cc10063H","","","1.54178","CuKα","","0.0445","0.0383","","","0.0994","0.1046","","","","","","1.038","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116505","11.2081","0.0002","12.3535","0.0003","11.9376","0.0003","90","","113.383","0.003","90","","1517.12","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl -","- C21 H15 Cl -","- C84 H60 Cl4 -","4","1","","Marcel Hartmann; Constantin Gabriel Daniliuc; Armido Studer","Preparation of phenanthrenes from ortho-amino-biphenyls and alkynes via base-promoted homolytic aromatic substitution","Chem.Commun.","2015","51","","3121","","10.1039/C4cc10063H","","","0.71073","MoKα","","0.0866","0.0612","","","0.1341","0.1512","","","","","","1.059","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116506","8.9872","0.0017","9.0894","0.0017","15.463","0.003","79.651","0.002","77.966","0.002","77.931","0.002","1195.8","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","2,10BrNP","2,10dibromo3(2isopropylphenyl)3(4methoxyphenyl)3Hbenzo[f]chromene","","- C29 H24 Br2 O2 -","- C29 H24 Br2 O2 -","- C58 H48 Br4 O4 -","2","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.0477","0.044","","","0.1332","0.1351","","","","","","1.088","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116507","9.9865","0.0006","10.56","0.0007","13.7281","0.0008","86.2498","0.0007","84.3378","0.0007","64.127","0.0005","1295.86","0.14","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","2,3,3,10tetraphenyl3Hbenzo[f]chromene","","- C37 H26 O -","- C37 H26 O -","- C74 H52 O2 -","2","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.0399","0.0343","","","0.0807","0.0845","","","","","","1.001","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116508","8.4379","0.0003","16.1157","0.0006","16.807","0.0006","90","","101.44","0.0005","90","","2240.06","0.14","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2bromo3(2isopropylphenyl)3(4methoxyphenyl)3Hbenzo[f]chromene","","- C29 H25 Br O2 -","- C29 H25 Br O2 -","- C116 H100 Br4 O8 -","4","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.0258","0.0227","","","0.0589","0.0601","","","","","","1.047","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116509","41.059","0.002","10.4431","0.0006","13.0847","0.0008","90","","98.557","0.001","90","","5548","0.5","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3diphenyl2(pyren1yl)3Hbenzo[f]chromene","","- C41 H26 O -","- C41 H26 O -","- C328 H208 O8 -","8","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.0387","0.0323","","","0.1084","0.1173","","","","","","0.954","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116510","8.4457","0.0004","15.2032","0.0007","17.4327","0.0008","90","","92.8463","0.0006","90","","2235.63","0.18","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10bromo3(2isopropylphenyl)3(4methoxyphenyl)3Hbenzo[f]chromene","","- C29 H25 Br O2 -","- C29 H25 Br O2 -","- C116 H100 Br4 O8 -","4","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.0256","0.0234","","","0.0608","0.0619","","","","","","1.063","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116511","8.4797","0.0006","16.5725","0.0012","15.9445","0.0011","90","","103.454","0.0009","90","","2179.2","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3(2isopropylphenyl)3(4methoxyphenyl)3Hbenzo[f]chromene","","- C29 H26 O2 -","- C29 H26 O2 -","- C116 H104 O8 -","4","1","","Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe","Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans","Chem.Commun.","2015","51","","3057","","10.1039/C4cc10294K","","","0.71073","MoKα","","0.043","0.0366","","","0.0887","0.0937","","","","","","1.024","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116513","8.2507","0.0002","9.1868","0.0002","10.7811","0.0003","92.8871","0.001","100.081","0.001","91.7403","0.001","802.9","0.03","150","","150","","","","101","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl2 N O2 S -","- C16 H15 Cl2 N O2 S -","- C32 H30 Cl4 N2 O4 S2 -","2","1","","Steven J. Mansfield; Craig D. Campbell; Michael W. Jones; Edward A. Anderson","A robust and modular synthesis of ynamides","Chem.Commun.","2015","51","","3316","","10.1039/C4cc07876D","","","0.71073","MoKα","","0.0523","0.0342","","0.0847","0.0784","0.0847","","","","","","0.9272","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116514","5.8679","0.0002","10.425","0.0003","11.8622","0.0003","90","","90","","90","","725.64","0.04","150","","150","","","","102","","","","","5","P 21 c n","P -2n 2a","33","","010mwj14","","- C5 H5 Cl2 N O2 -","- C5 H5 Cl2 N O2 -","- C20 H20 Cl8 N4 O8 -","4","1","","Steven J. Mansfield; Craig D. Campbell; Michael W. Jones; Edward A. Anderson","A robust and modular synthesis of ynamides","Chem.Commun.","2015","51","","3316","","10.1039/C4cc07876D","","","0.71073","MoKα","","0.0363","0.0305","","0.0622","0.0563","0.0622","","","","","","0.9883","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116515","5.8562","0.0003","8.0977","0.0004","23.1501","0.0011","84.648","0.004","86.401","0.004","84.429","0.004","1086.27","0.09","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","3-(Dodecane-1-thiyl)-4-(hydroxymethyl)-2,2,5,5-tetramethyl-1-pyrrolinoxyl","","- C21 H40 N O2 S -","- C21 H40 N O2 S -","- C42 H80 N2 O4 S2 -","2","1","","Stefanie-Ann Alexander; Emma M. Rouse; Jonathan M. White; Nicole Tse; Caroline Kyi; Carl H. Schiesser","Controlling biofilms on cultural materials: the role of 3-(dodecane-1-thiyl)-4-(hydroxymethyl)-2,2,5,5-tetramethyl-1-pyrrolinoxyl","Chem.Commun.","2015","51","","3355","","10.1039/C4cc08390C","","","1.5418","CuKα","","0.0548","0.0472","","","0.1208","0.1266","","","","","","1.053","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116516","12.306","0.007","12.532","0.007","25.592","0.014","95.097","0.008","99.985","0.008","107.517","0.008","3665","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 N O16 -","- C64 H80 N O15.5 -","- C128 H160 N2 O31 -","2","1","","Shilu Wang; Yiliang Wang; Zhenxia Chen; Yuejian Lin; Linhong Weng; Kang Han; Jian Li; Xueshun Jia; Chunju Li","The marriage of endo-cavity and exo-wall complexation provides a facile strategy for supramolecular polymerization","Chem.Commun.","2015","51","","3434","","10.1039/C4cc08820D","","","0.71073","MoKα","","0.2598","0.1742","","","0.4488","0.5059","","","","","","1.521","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116517","15.2564","0.0006","16.7125","0.0007","19.1312","0.0007","65.429","0.001","88.953","0.001","74.258","0.001","4244.9","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H102 Cl N O21 P4 -","- C79 H86 Cl N O21 P4 -","- C158 H172 Cl2 N2 O42 P8 -","2","1","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1054","0.0767","","","0.2327","0.2616","","","","","","1.035","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116518","14.352","0.001","15.283","0.001","19.944","0.001","104.22","0.001","95.842","0.001","90.923","0.001","4214.7","0.5","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H108 Cl N O19 P4 -","- C84 H102 Cl N O19 P4 -","- C168 H204 Cl2 N2 O38 P8 -","2","1","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1033","0.0799","","","0.2102","0.2237","","","","","","1.071","","","","has coordinates,has disorder","209678","2020-10-21","18:00:00",""
"7116519","14.085","0.002","20.896","0.002","28.155","0.003","90","","98.184","0.002","90","","8202.2","1.7","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79.5 H93 Cl N O16 P4 -","- C79.5 H90 Cl N O16 P4 -","- C318 H360 Cl4 N4 O64 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1999","0.0915","","","0.2281","0.2928","","","","","","0.969","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116520","15.316","0.002","16.319","0.002","19.612","0.002","66.028","0.002","77.507","0.002","74.353","0.005","4281.2","0.9","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C78 H88 Cl N O15 P4 -","- C78 H84 Cl N O15 P4 -","- C156 H168 Cl2 N2 O30 P8 -","2","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2142","0.121","","","0.3039","0.3714","","","","","","1.056","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116521","13.9589","0.0006","37.935","0.002","15.3453","0.0006","90","","91.459","0.001","90","","8123.2","0.6","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H93 Cl N O17 P4 -","- C78.5 H85.5 Cl N O17 P4 -","- C314 H342 Cl4 N4 O68 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1304","0.0804","","","0.2117","0.2463","","","","","","1.006","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116522","13.917","0.002","37.798","0.006","15.357","0.002","90","","91.273","0.002","90","","8076","2","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C79 H90 Cl N O15 P4 -","- C79 H83 Cl N O15 P4 -","- C316 H332 Cl4 N4 O60 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.2799","0.1144","","","0.2672","0.3578","","","","","","0.999","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116523","13.898","0.002","37.849","0.005","15.383","0.002","90","","91.633","0.002","90","","8088.6","1.9","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C78.5 H90 Cl N O15.5 P4 -","- C78.5 H86 Cl N O15.5 P4 -","- C314 H344 Cl4 N4 O62 P16 -","4","2","","Biavardi, Elisa; Ugozzoli, Franco; Massera, Chiara","Chemoselective recognition with phosphonate cavitands: the ephedrine over pseudoephedrine case","Chemical Communications (Cambridge, United Kingdom)","2015","51","16","3426","3429","10.1039/c4cc09387a","","","0.71069","MoKα","","0.1644","0.0933","","","0.2468","0.2951","","","","","","1.009","","","","has coordinates","209678","2020-10-21","18:00:00",""
"7116524","8.519","0.002","9.631","0.003","24.207","0.007","90","","90","","90","","1986.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Yan-Qin He; Yu-Wu Zhong","The synthesis of 2- and 2,7-functionalized pyrene derivatives through Ru(II)-catalyzed C-H activation","Chem.Commun.","2015","51","","3411","","10.1039/C4cc09480H","","","0.71073","MoKα","","0.0702","0.0605","","","0.121","0.1259","","","","","","1.132","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116525","8.6479","0.0017","12.683","0.003","16.619","0.003","111.32","0.03","92.12","0.03","99.49","0.03","1665.5","0.7","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C79 H51 Cl9 N4 -","- C79 H51 Cl9 N4 -","- C79 H51 Cl9 N4 -","1","0.5","","Yan-Qin He; Yu-Wu Zhong","The synthesis of 2- and 2,7-functionalized pyrene derivatives through Ru(II)-catalyzed C-H activation","Chem.Commun.","2015","51","","3411","","10.1039/C4cc09480H","","","0.71073","MoKα","","0.1407","0.1064","","","0.234","0.2577","","","","","","1.177","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116526","12.308","0.005","13.017","0.003","13.044","0.003","111.17","0.03","111.32","0.03","98.55","0.03","1718.5","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 F6 N5 P Ru -","- C41 H28 F6 N5 P Ru -","- C82 H56 F12 N10 P2 Ru2 -","2","1","","Yan-Qin He; Yu-Wu Zhong","The synthesis of 2- and 2,7-functionalized pyrene derivatives through Ru(II)-catalyzed C-H activation","Chem.Commun.","2015","51","","3411","","10.1039/C4cc09480H","","","0.71073","MoKα","","0.0391","0.0376","","","0.0952","0.0963","","","","","","1.096","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116527","3.8489","0.0007","17.796","0.003","25.127","0.005","86.217","0.006","89.836","0.007","85.622","0.007","1712.3","0.5","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H17 N -","- C28 H17 N -","- C112 H68 N4 -","4","2","","Yan-Qin He; Yu-Wu Zhong","The synthesis of 2- and 2,7-functionalized pyrene derivatives through Ru(II)-catalyzed C-H activation","Chem.Commun.","2015","51","","3411","","10.1039/C4cc09480H","","","0.71073","MoKα","","0.1007","0.0801","","","0.1729","0.186","","","","","","1.142","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116528","20.5847","0.0011","13.4613","0.0007","22.9069","0.0013","90","","101.973","0.001","90","","6209.3","0.6","296","2","296","2","","","","","","","","9","C 1 m 1","C -2y","8","","","","- C16 H111 Cu4 Dy2 K2 N16 O101.5 Si2 W22 -","- C16 H64 Cu4 Dy2 K2 N16 O99.5 Si2 W22 -","- C32 H128 Cu8 Dy4 K4 N32 O199 Si4 W44 -","2","0.5","","Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun","Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions","Chem.Commun.","2015","51","","3336","","10.1039/C4cc09569C","","","0.71073","MoKα","","0.0497","0.0407","","","0.097","0.1028","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116529","43.425","0.003","43.548","0.003","25.625","0.002","90","","90","","90","","48459","6","296","2","296","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C26 H126 Cu6 Er2 N24 O97 Si2 W22 -","- C26 H96 Cu6 Er2 N24 O92 Si2 W22 -","- C416 H1536 Cu96 Er32 N384 O1472 Si32 W352 -","16","1","","Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun","Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions","Chem.Commun.","2015","51","","3336","","10.1039/C4cc09569C","","","0.71073","MoKα","","0.0647","0.0468","","","0.1039","0.1139","","","","","","1.028","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116530","19.142","0.006","24.362","0.007","21.693","0.006","90","","99.006","0.007","90","","9992","5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H77 Cu Er N12 O85 Si2 W22 -","- C16 H52 Cu Er N12 O85 Si2 W22 -","- C64 H208 Cu4 Er4 N48 O340 Si8 W88 -","4","1","","Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun","Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions","Chem.Commun.","2015","51","","3336","","10.1039/C4cc09569C","","","0.71073","MoKα","","0.0707","0.0461","","","0.0997","0.1077","","","","","","1.022","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116531","12.2363","0.0002","15.6103","0.0003","19.0632","0.0003","90","","105.412","0.0017","90","","3510.36","0.11","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 As2 Br N O2 Pd -","- C40 H34 As2 Br N O2 Pd -","- C160 H136 As8 Br4 N4 O8 Pd4 -","4","1","","Thomas O. Ronson; Jonathan R. Carney; Adrian C. Whitwood; Richard J.K. Taylor; Ian J. S. Fairlamb","AsCat and FurCat: new Pd catalysts for selective room-temperature Stille cross-couplings of benzyl chlorides with organostannanes","Chem.Commun.","2015","51","","3466","","10.1039/C4cc09810B","","x-ray","0.71073","MoKα","","0.0699","0.0405","","","0.0798","0.0934","","","","","","1.043","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116532","9.8939","0.0005","13.25","0.0006","15.9721","0.0008","90","","102.881","0.005","90","","2041.16","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F6 O5 S2 -","- C17 H18 F6 O5 S2 -","- C68 H72 F24 O20 S8 -","4","1","","Benito Alcaide; Pedro Almendros; Israel Fernandez; Carlos Lazaro-Milla","Unveiling the uncatalyzed reaction of alkynes with 1,2-dipoles for the room temperature synthesis of cyclobutenes","Chem.Commun.","2015","51","","3395","","10.1039/C4cc10111A","","","0.71073","MoKα","","0.0946","0.0581","","","0.1439","0.1711","","","","","","0.991","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116533","11.571","0.002","5.2088","0.001","26.139","0.005","90","","93.278","0.002","90","","1572.8","0.5","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br F N O2 S -","- C15 H15 Br F N O2 S -","- C60 H60 Br4 F4 N4 O8 S4 -","4","1","","Jorge Saavedra-Olavarria; Gean C. Arteaga; Jhon J. Lopez; Edwin G. Perez","Copper-catalyzed intermolecular and regioselective aminofluorination of styrenes: facile access to beta-fluoro-N-protected phenethylamines","Chem.Commun.","2015","51","","3379","","10.1039/C4cc10162F","","x-ray","0.71073","MoKα","","0.0774","0.056","","","0.1336","0.1504","","","","","","1.0549","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116534","9.6115","0.0005","12.5777","0.0008","14.3804","0.001","110.013","0.006","107.49","0.005","99.474","0.005","1486.96","0.19","292.1","0.4","292.1","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O2 -","- C38 H38 O2 -","- C76 H76 O4 -","2","1","","Yao Xiong; Xilong Yan; Yawen Ma; Yang Li; Guohui Yin; Ligong Chen","Regulating the piezofluorochromism of 9,10-bis(butoxystyryl)anthracenes by isomerization of butyl groups","Chem.Commun.","2015","51","","3403","","10.1039/C4cc10196K","","","0.7107","MoKα","","0.1051","0.0674","","","0.1743","0.2033","","","","","","1.04","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116535","9.3559","0.0004","9.9674","0.0003","16.4761","0.0008","99.935","0.003","101.993","0.004","96.7","0.003","1461.72","0.11","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O2 -","- C38 H38 O2 -","- C76 H76 O4 -","2","1","","Yao Xiong; Xilong Yan; Yawen Ma; Yang Li; Guohui Yin; Ligong Chen","Regulating the piezofluorochromism of 9,10-bis(butoxystyryl)anthracenes by isomerization of butyl groups","Chem.Commun.","2015","51","","3403","","10.1039/C4cc10196K","","x-ray","1.54184","CuKα","","0.0447","0.0409","","","0.1098","0.1139","","","","","","1.056","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116536","5.5707","0.0005","8.2832","0.0009","15.9643","0.0015","92.864","0.008","96.899","0.007","93.15","0.008","729.02","0.12","293.2","0.1","293.2","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O2 -","- C38 H38 O2 -","- C38 H38 O2 -","1","0.5","","Yao Xiong; Xilong Yan; Yawen Ma; Yang Li; Guohui Yin; Ligong Chen","Regulating the piezofluorochromism of 9,10-bis(butoxystyryl)anthracenes by isomerization of butyl groups","Chem.Commun.","2015","51","","3403","","10.1039/C4cc10196K","","x-ray","0.71073","MoKα","","0.0788","0.0574","","","0.1558","0.176","","","","","","1.076","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116537","11.2427","0.0002","25.9864","0.0004","11.3945","0.0002","90","","106.509","0.001","90","","3191.75","0.1","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 N3 O6 Re -","- C28 H50 N3 O6 Re -","- C112 H200 N12 O24 Re4 -","4","1","","Mirza Cokoja; Iulius I. E. Markovits; Michael H. Anthofer; Saner Poplata; Alexander Pothig; Danny S. Morris; Peter A. Tasker; Wolfgang A. Herrmann; Fritz E. Kuhn; Jason B. Love","Catalytic epoxidation by perrhenate through the formation of organic-phase supramolecular ion pairs","Chem.Commun.","2015","51","","3399","","10.1039/C4cc10235E","","x-ray","0.71073","MoKα","","0.0324","0.0218","","","0.0383","0.0409","","","","","","1.034","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116538","10.3823","0.0008","10.3886","0.0008","29.879","0.002","90","","90","","90","","3222.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B F2 I2 N5 -","- C32 H30 B F2 I2 N5 -","- C128 H120 B4 F8 I8 N20 -","4","1","","Bhattacharyya, Arnab; Dixit, Akanksha; Mitra, Koushambi; Banerjee, Samya; Karande, Anjali A.; Chakravarty, Akhil R.","BODIPY appended copper(ii) complexes of curcumin showing mitochondria targeted remarkable photocytotoxicity in visible light","Med. Chem. Commun.","2015","6","5","846","","10.1039/C4MD00425F","","","0.71073","MoKα","","0.0783","0.0458","","","0.1077","0.119","","","","","","0.938","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116539","13.911","0.003","9.1555","0.0018","16.101","0.003","90","","99.76","0.03","90","","2021","0.7","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 -","- C29 H21 -","- C116 H84 -","4","1","","Luigi R. Nassimbeni; Nikoletta B. Bathori; Leena Desiree Patel; Hong Su; Edwin Weber","Separation of xylenes by enclathration","Chem.Commun.","2015","51","","3627","","10.1039/C4cc05329J","","","0.71073","MoKα","","0.0643","0.0451","","","0.1369","0.1539","","","","","","1.05","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116540","18.733","0.004","8.5251","0.0017","17.406","0.004","90","","95.92","0.03","90","","2764.9","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 O2 -","- C37 H30 O2 -","- C148 H120 O8 -","4","0.5","","Luigi R. Nassimbeni; Nikoletta B. Bathori; Leena Desiree Patel; Hong Su; Edwin Weber","Separation of xylenes by enclathration","Chem.Commun.","2015","51","","3627","","10.1039/C4cc05329J","","","0.71073","MoKα","","0.0614","0.045","","","0.1104","0.1222","","","","","","1.024","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116541","11.3462","0.0004","14.6342","0.0005","27.3605","0.0009","101.652","0.002","99.918","0.002","92.534","0.002","4368.2","0.3","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C64 H46 -","- C64 H46 -","- C256 H184 -","4","2","","Luigi R. Nassimbeni; Nikoletta B. Bathori; Leena Desiree Patel; Hong Su; Edwin Weber","Separation of xylenes by enclathration","Chem.Commun.","2015","51","","3627","","10.1039/C4cc05329J","","","0.71073","MoKα","","0.0921","0.0534","","","0.1212","0.1393","","","","","","1.026","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116542","14.154","0.003","9.1925","0.0018","17.307","0.004","90","","100.42","0.03","90","","2214.7","0.8","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 -","- C32 H23 -","- C128 H92 -","4","1","","Luigi R. Nassimbeni; Nikoletta B. Bathori; Leena Desiree Patel; Hong Su; Edwin Weber","Separation of xylenes by enclathration","Chem.Commun.","2015","51","","3627","","10.1039/C4cc05329J","","","0.71073","MoKα","","0.0896","0.0497","","","0.112","0.1304","","","","","","1.014","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116543","16.8086","0.0004","10.0372","0.0002","24.1763","0.0006","90","","90.321","0.002","90","","4078.75","0.16","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 B N2 O9 -","- C20 H19 B N2 O9 -","- C160 H152 B8 N16 O72 -","8","1","","Shinya Adachi; Armand B. Cognetta; Micah J. Niphakis; Zhi He; Adam Zajdlik; Jeffrey D. St. Denis; Conor C. G. Scully; Benjamin F. Cravatt; Andrei K. Yudin","Facile synthesis of borofragments and their evaluation in activity-based protein profiling","Chem.Commun.","2015","51","","3608","","10.1039/C4cc09107H","","","1.54178","CuKα","","0.052","0.0476","","","0.1156","0.1177","","","","","","1.091","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116544","14.3477","0.0018","6.9395","0.0007","17.098","0.002","90","","94.14","0.003","90","","1697.9","0.3","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 B Cl N5 O8 -","- C11 H19 B Cl N5 O8 -","- C44 H76 B4 Cl4 N20 O32 -","4","1","","Shinya Adachi; Armand B. Cognetta; Micah J. Niphakis; Zhi He; Adam Zajdlik; Jeffrey D. St. Denis; Conor C. G. Scully; Benjamin F. Cravatt; Andrei K. Yudin","Facile synthesis of borofragments and their evaluation in activity-based protein profiling","Chem.Commun.","2015","51","","3608","","10.1039/C4cc09107H","","","0.71073","MoKα","","0.0422","0.033","","","0.0792","0.0854","","","","","","1.022","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116545","19.2489","0.0007","7.1031","0.0002","20.6727","0.0006","90","","115.222","0","90","","2557.04","0.14","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B N6 O9 -","- C21 H31 B N6 O9 -","- C84 H124 B4 N24 O36 -","4","1","","Shinya Adachi; Armand B. Cognetta; Micah J. Niphakis; Zhi He; Adam Zajdlik; Jeffrey D. St. Denis; Conor C. G. Scully; Benjamin F. Cravatt; Andrei K. Yudin","Facile synthesis of borofragments and their evaluation in activity-based protein profiling","Chem.Commun.","2015","51","","3608","","10.1039/C4cc09107H","","","1.54178","CuKα","","0.0383","0.0342","","","0.0869","0.09","","","","","","1.063","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116546","46.878","0.002","46.878","0.002","46.878","0.002","90","","90","","90","","103017","8","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C144 H132 K N2 Nb2 O4 -","- C144 H132 K N2 Nb2 O4 -","- C3456 H3168 K24 N48 Nb48 O96 -","24","1","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.1457","0.0828","","","0.1894","0.2154","","","","","","0.909","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116547","16.7009","0.0014","17.9962","0.0015","24.535","0.002","92.288","0.004","100.453","0.004","114.629","0.004","6536.7","1","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C149 H144 Cl5 K3 Nb2 O4 -","- C149 H144 Cl5 K3 Nb2 O4 -","- C298 H288 Cl10 K6 Nb4 O8 -","2","1","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.0589","0.0415","","","0.1168","0.1301","","","","","","1.05","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116548","24.645","0.0006","25.8062","0.0005","37.2338","0.0008","90","","90","","90","","23680.5","0.9","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C151 H140 N2 Nb2 O4 -","- C151 H140 N2 Nb2 O4 -","- C1208 H1120 N16 Nb16 O32 -","8","1","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.2176","0.092","","","0.2415","0.3249","","","","","","1.041","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116549","18.1297","0.0008","15.6334","0.0008","26.09","0.0012","90","","93.396","0.003","90","","7381.7","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C165 H156 Cl6 Nb2 O4 -","- C165 H156 Cl6 Nb2 O4 -","- C330 H312 Cl12 Nb4 O8 -","2","0.5","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","1.54178","CuKα","","0.0916","0.0645","","","0.19","0.2116","","","","","","1.062","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116550","15.8132","0.0005","14.3842","0.0004","17.9838","0.0005","90","","111.412","0.002","90","","3808.3","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H94 Cl2 Nb O4 -","- C92 H94 Cl2 Nb O4 -","- C184 H188 Cl4 Nb2 O8 -","2","0.5","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.0409","0.0324","","0.088","0.0755","0.0877","","","","","","1.0538","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116551","5.8959","0.0003","11.7317","0.0006","12.73","0.0009","90","","96.833","0.006","90","","874.27","0.09","293.66","0.1","293.66","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O4 -","- C19 H17 Br O4 -","- C38 H34 Br2 O8 -","2","1","","Jun-Bing Lin; Shi-Ming Xu; Ji-Kang Xie; Hong-Yu Li; Peng-Fei Xu","An organocatalytic Michael-cyclization cascade of 4-oxa-alpha,beta-unsaturated carboxylic acids with aldehydes: facile synthesis of chiral gamma-lactols and trisubstituted gamma-lactones","Chem.Commun.","2015","51","","3596","","10.1039/C4cc09686J","","","0.7107","MoKα","","0.0864","0.0522","","","0.105","0.124","","","","","","1.084","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116552","5.6167","0.0003","25.0791","0.0011","11.3191","0.0006","90","","90.779","0.005","90","","1594.28","0.14","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","2","","Jun-Bing Lin; Shi-Ming Xu; Ji-Kang Xie; Hong-Yu Li; Peng-Fei Xu","An organocatalytic Michael-cyclization cascade of 4-oxa-alpha,beta-unsaturated carboxylic acids with aldehydes: facile synthesis of chiral gamma-lactols and trisubstituted gamma-lactones","Chem.Commun.","2015","51","","3596","","10.1039/C4cc09686J","","","0.71073","MoKα","","0.1025","0.0616","","","0.1151","0.1424","","","","","","1.061","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116553","27.2227","0.0014","16.4194","0.0008","6.9476","0.0004","90","","101.779","0.0018","90","","3040","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","di-tert butyl rubicenoid Pentacene","di-tert butyl bisindenofused pentacene","","- C43 H34 O1.5 -","- C43 H34 O1.5 -","- C172 H136 O6 -","4","0.5","","Arun Naibi Lakshminarayana; Jingjing Chang; Jie Luo; Bin Zheng; Kuo-Wei Huang; Chunyan Chi","Bisindeno-annulated pentacenes with exceptionally high photo-stability and ordered molecular packing: simple synthesis by a regio-selective Scholl reaction","Chem.Commun.","2015","51","","3604","","10.1039/C4cc09812A","","","0.71073","MoKα","","0.0665","0.0549","","","0.1467","0.1564","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116554","4.6842","0.0005","14.8758","0.0015","17.803","0.0018","107.779","0.005","94.984","0.005","91.886","0.005","1174.5","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetrahexyloxy rubicenoid pentacene","tetrahexyloxy bisindenofused pentacene","","- C59 H70 O5 -","- C59 H70 O5 -","- C59 H70 O5 -","1","0.5","","Arun Naibi Lakshminarayana; Jingjing Chang; Jie Luo; Bin Zheng; Kuo-Wei Huang; Chunyan Chi","Bisindeno-annulated pentacenes with exceptionally high photo-stability and ordered molecular packing: simple synthesis by a regio-selective Scholl reaction","Chem.Commun.","2015","51","","3604","","10.1039/C4cc09812A","","","1.54178","CuKα","","0.0702","0.0512","","","0.1248","0.1359","","","","","","1.037","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116555","8.0822","0.0004","20.8183","0.0008","30.8295","0.0013","90","","90","","90","","5187.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 N O26 Zn6 -","- C36 H37 N O26 Zn6 -","- C144 H148 N4 O104 Zn24 -","4","1","","Cui-Lan Chang; Xiao-Yue Qi; Jiang-Wei Zhang; Ya-Ming Qiu; Xian-Jiang Li; Xin Wang; Yu Bai; Jun-Liang Sun; Hu-Wei Liu","Facile synthesis of magnetic homochiral metal-organic frameworks for 'enantioselective fishing'","Chem.Commun.","2015","51","","3566","","10.1039/c4cc09988E","","","0.71073","MoKα","","0.0627","0.0443","","","0.1045","0.1259","","","","","","1.083","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116556","63.4959","0.001","38.2021","0.0007","71.4099","0.0011","90","","114.799","0.002","90","","157244","5","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","({[nPr2NH2][Cr7NiF8(O2CCtBu)14(O2CC5H4N)2]}3{[Fe2CoO(O2CtBu)6]}2)n","","- C324 H558 Co2 Cr21 F24 Fe4 N9 Ni3 O122 -","- C324 H558 Co1.9998 Cr21 F24 Fe4.0002 N9 Ni3 O122 -","- C2592 H4464 Co15.9984 Cr168 F192 Fe32.0016 N72 Ni24 O976 -","8","1","","Whitehead, George F. S.; Teat, Simon J.; Gagnon, Kevin J.; Timco, Grigore A.; Winpenny, Richard E. P.","An extended framework of cages formed of pre-synthesised and functionalised heterometallic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3533","3536","10.1039/c4cc10035b","","x-ray","1.0333","synchrotron","","0.1471","0.1083","","","0.2921","0.3323","","","","","","1.276","","","","has coordinates","211013","2020-10-21","18:00:00",""
"7116557","28.096","0.004","28.096","0.004","40.947","0.008","90","","90","","90","","32323","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C216 H184 Cu24 N8 O144 -","- C216 H128 Cu24 N8 O144 -","- C432 H256 Cu48 N16 O288 -","2","0.125","","Hyehyun Kim; Minhak Oh; Dongwook Kim; Jeongin Park; Junmo Seong; Sang Kyu Kwak; Myoung Soo Lah","Single crystalline hollow metal-organic frameworks: a metal-organic polyhedron single crystal as a sacrificial template","Chem.Commun.","2015","51","","3678","","10.1039/C4cc10051D","","","1","synchrotron","","0.1456","0.1132","","","0.3621","0.4021","","","","","","1.446","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116558","7.7688","0.0004","8.5125","0.0004","24.4247","0.0011","82.716","0.002","85.057","0.002","84.926","0.002","1591.34","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 B2 F8 Fe N5 O6 -","- C26 H35 B2 F8 Fe N5 O6 -","- C52 H70 B4 F16 Fe2 N10 O12 -","2","1","","Arun Kumar Bar; Celine Pichon; Nayanmoni Gogoi; Carine Duhayon; S. Ramasesha; Jean-Pascal Sutter","Single-ion magnet behaviour of heptacoordinated Fe(II) complexes: on the importance of supramolecular organization","Chem.Commun.","2015","51","","3616","","10.1039/C4cc10182K","","","0.71073","MoKα","","0.0672","0.0657","","0.0749","0.0708","0.07","","","","","","1.0875","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116559","17.3572","0.0006","15.1852","0.0004","10.1318","0.0002","90","","91.117","0.002","90","","2669.96","0.13","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Fe N9 Ni O2 -","- C27 H21 Fe N9 Ni O2 -","- C108 H84 Fe4 N36 Ni4 O8 -","4","0.5","","Arun Kumar Bar; Celine Pichon; Nayanmoni Gogoi; Carine Duhayon; S. Ramasesha; Jean-Pascal Sutter","Single-ion magnet behaviour of heptacoordinated Fe(II) complexes: on the importance of supramolecular organization","Chem.Commun.","2015","51","","3616","","10.1039/C4cc10182K","","","1.5418","CuKα","","0.0689","0.0634","","0.0648","0.0624","0.0618","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116560","8.6132","0.0004","13.1321","0.0006","22.5986","0.001","90","","108.557","0.002","90","","2423.22","0.19","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl2 Fe N5 O2 -","- C23 H21 Cl2 Fe N5 O2 -","- C92 H84 Cl8 Fe4 N20 O8 -","4","1","","Arun Kumar Bar; Celine Pichon; Nayanmoni Gogoi; Carine Duhayon; S. Ramasesha; Jean-Pascal Sutter","Single-ion magnet behaviour of heptacoordinated Fe(II) complexes: on the importance of supramolecular organization","Chem.Commun.","2015","51","","3616","","10.1039/C4cc10182K","","","0.71073","MoKα","","0.037","0.0285","","0.0436","0.0334","0.0327","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116561","29.508","0.005","8.3721","0.0014","19.678","0.003","90","","90","","90","","4861.3","1.4","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H31 N O5 -","- C26 H31 N O5 -","- C208 H248 N8 O40 -","8","1","","Qiao-Hui Deng; Jia-Rong Chen; Qiang Wei; Quan-Qing Zhao; Liang-Qiu Lu; Wen-Jing Xiao","Visible-light-induced photocatalytic oxytrifluoromethylation of N-allylamides for the synthesis of CF3-containing oxazolines and benzoxazines","Chem.Commun.","2015","51","","3537","","10.1039/C4cc10217G","","","0.71073","MoKα","","0.1159","0.0889","","","0.2568","0.2908","","","","","","1.036","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116562","15.0354","0.0013","6.2653","0.0005","36.895","0.003","90","","90","","90","","3475.6","0.5","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H26 O5 Si -","- C15 H26 O5 Si -","- C120 H208 O40 Si8 -","8","2","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0327","0.031","","","0.0855","0.0866","","","","","","1.058","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116563","7.353","0.002","12.521","0.004","13.79","0.004","109.346","0.003","90.415","0.004","98.193","0.003","1183.7","0.6","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","2","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0621","0.0424","","","0.1045","0.1149","","","","","","1.017","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116564","14.836","0.0015","9.2966","0.001","18.3676","0.0019","90","","113.488","0.001","90","","2323.4","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 O5 Si -","- C22 H36 O5 Si -","- C88 H144 O20 Si4 -","4","1","","Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3586","3589","10.1039/c5cc00129c","","","0.71073","MoKα","","0.0426","0.0352","","","0.0856","0.09","","","","","","1.037","","","","has coordinates","210895","2020-10-21","18:00:00",""
"7116565","18.69","0.003","26.43","0.004","43.505","0.007","90","","97.138","0.003","90","","21324","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H106 F12 N4 O22 P2 -","- C89 H106 F12 N4 O22 P2 -","- C712 H848 F96 N32 O176 P16 -","8","1","","Wang, Qi; Cheng, Ming; Zhao, Yue; Wu, Lin; Jiang, Juli; Wang, Leyong; Pan, Yi","A pillar[5]arene-fused cryptand: from orthogonal self-assembly to supramolecular polymer","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3623","3626","10.1039/c5cc00130g","","","0.71073","MoKα","","0.166","0.0796","","","0.2183","0.2479","","","","","","0.917","","","","has coordinates","211005","2020-10-21","18:00:00",""
"7116566","16.6036","0.0003","17.8851","0.0003","18.2024","0.0003","90","","90","","90","","5405.33","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Sm2 -","- C64 H76 N4 Sm2 -","- C256 H304 N16 Sm8 -","4","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","x-ray","0.71073","MoKα","","0.0774","0.0526","","","0.1312","0.162","","","","","","1.229","","","","has coordinates","210894","2020-10-21","18:00:00",""
"7116567","10.225","0.001","12.304","0.001","20.627","0.001","87.677","0.001","87.886","0.001","83.688","0.001","2575.8","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C120 H164 N4 Sm2 -","- C92 H132 N4 Sm2 -","- C92 H132 N4 Sm2 -","1","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.066","0.0563","","","0.1387","0.1456","","","","","","1.132","","","","has coordinates","210894","2020-10-21","18:00:00",""
"7116568","10.9726","0.0002","18.7116","0.0003","19.7467","0.0003","90","","91.3117","0.0009","90","","4053.23","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H136 N4 O4.5 Sm2 -","- C76 H100 N4 Sm2 -","- C152 H200 N8 Sm4 -","2","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.0654","0.0482","","","0.1082","0.1168","","","","","","1.068","","","","has coordinates,has disorder","210894","2020-10-21","18:00:00",""
"7116569","10.148","0.001","12.286","0.001","20.481","0.001","87.531","0.001","88.273","0.001","84.59","0.001","2538.9","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C113 H156 N4 Tm2 -","- C92 H132 N4 Tm2 -","- C92 H132 N4 Tm2 -","1","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","","0.71069","MoKα","","0.0805","0.0644","","","0.1498","0.1597","","","","","","1.08","","","","has coordinates,has disorder","210894","2020-10-21","18:00:00",""
"7116570","15.302","0.002","15.3895","0.0011","15.4431","0.0019","71.988","0.008","60.74","0.013","87.419","0.008","2992.4","0.7","100","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H74 N2 O8 S2 -","- C67 H74 N2 O8 S2 -","- C134 H148 N4 O16 S4 -","2","1","","Erik Gabrielsson; Haining Tian; Susanna K. Eriksson; Jiajia Gao; Hong Chen; Fusheng Li; Johan Oscarsson; Junliang Sun; Hakan Rensmo; Lars Kloo; Anders Hagfeldt; Licheng Sun","Dipicolinic acid: a strong anchoring group with tunable redox and spectral behavior for stable dye-sensitized solar cells","Chem.Commun.","2015","51","","3858","","10.1039/C4cc06432A","","","0.6889","synchrotron","","0.0588","0.0542","","","0.1571","0.1639","","","","","","0.947","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116572","9.611","0.002","13.18","0.003","15.861","0.004","75.031","0.008","76.859","0.007","89.895","0.009","1886.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14.5 Cl2 Co N5.5 O -","- C16 H14.5 Cl2 Co N5.5 O -","- C64 H58 Cl8 Co4 N22 O4 -","4","2","","Shefali Vaidya; Apoorva Upadhyay; Saurabh Kumar Singh; Tulika Gupta; Subrata Tewary; Stuart K. Langley; James P. S. Walsh; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","A synthetic strategy for switching the single ion anisotropy in tetrahedral Co(II) complexes","Chem.Commun.","2015","51","","3739","","10.1039/C4cc08305A","","","0.71073","MoKα","","0.1139","0.0843","","","0.2078","0.2251","","","","","","0.901","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116573","9.832","0.002","13.304","0.003","15.925","0.004","105.24","0.004","103.61","0.005","90.386","0.003","1948.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14.5 Br2 Co N5.5 O -","- C16 H14.5 Br2 Co N5.5 O -","- C64 H58 Br8 Co4 N22 O4 -","4","2","","Shefali Vaidya; Apoorva Upadhyay; Saurabh Kumar Singh; Tulika Gupta; Subrata Tewary; Stuart K. Langley; James P. S. Walsh; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","A synthetic strategy for switching the single ion anisotropy in tetrahedral Co(II) complexes","Chem.Commun.","2015","51","","3739","","10.1039/C4cc08305A","","","0.71075","MoKα","","0.0785","0.0726","","","0.2054","0.2127","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116574","8.479","0.0017","9.071","0.0018","13.536","0.003","77.03","0.03","80.74","0.03","67.56","0.03","934.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl2 Co N5 S -","- C15 H13 Cl2 Co N5 S -","- C30 H26 Cl4 Co2 N10 S2 -","2","1","","Shefali Vaidya; Apoorva Upadhyay; Saurabh Kumar Singh; Tulika Gupta; Subrata Tewary; Stuart K. Langley; James P. S. Walsh; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","A synthetic strategy for switching the single ion anisotropy in tetrahedral Co(II) complexes","Chem.Commun.","2015","51","","3739","","10.1039/C4cc08305A","","","0.71073","MoKα","","0.1071","0.0782","","","0.1029","0.1126","","","","","","1.185","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116575","8.441","0.007","9.015","0.008","13.725","0.013","77.19","0.04","80.64","0.05","68.94","0.04","946.4","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Br2 Co N5 S -","- C15 H13 Br2 Co N5 S -","- C30 H26 Br4 Co2 N10 S2 -","2","1","","Shefali Vaidya; Apoorva Upadhyay; Saurabh Kumar Singh; Tulika Gupta; Subrata Tewary; Stuart K. Langley; James P. S. Walsh; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","A synthetic strategy for switching the single ion anisotropy in tetrahedral Co(II) complexes","Chem.Commun.","2015","51","","3739","","10.1039/C4cc08305A","","","0.71075","MoKα","","0.1005","0.0741","","","0.1484","0.1626","","","","","","1.096","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116576","17.5892","0.0004","15.9899","0.0004","11.2183","0.0003","90","","102.022","0.002","90","","3085.94","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 B4 Mo2 O6 Ru2 -","- C26 H34 B4 Mo2 O6 Ru2 -","- C104 H136 B16 Mo8 O24 Ru8 -","4","0.5","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","1.54184","CuKα","","0.0319","0.0317","","","0.0882","0.0884","","","","","","1.071","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116577","9.0041","0.0003","9.0041","0.0003","31.3056","0.001","90","","90","","90","","2538.06","0.14","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H36 B4 Mo2 O2 -","- C22 H36 B4 Mo2 O2 -","- C88 H144 B16 Mo8 O8 -","4","0.5","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","0.71073","MoKα","","0.0331","0.0316","","","0.0741","0.0751","","","","","","1.226","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116578","9.0059","0.0008","18.5886","0.0014","17.7675","0.0014","90","","99.389","0.002","90","","2934.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B3 Cl Mo2 O5 W -","- C25 H34 B3 Cl Mo2 O5 W -","- C100 H136 B12 Cl4 Mo8 O20 W4 -","4","1","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","0.71073","MoKα","","0.0464","0.0347","","","0.0686","0.0729","","","","","","1.102","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116579","17.2668","0.0007","30.7845","0.0013","12.5659","0.0006","90","","90","","90","","6679.4","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H31 B Mo2 O10 Ru2 -","- C30 H31 B Mo2 O10 Ru2 -","- C240 H248 B8 Mo16 O80 Ru16 -","8","1","","Bijan Mondal; Bijnaneswar Mondal; Koushik Pal; Babu Varghese; Sundargopal Ghosh","An electron-poor di-molybdenum triple-decker with a puckered [B4Ru2] bridging ring is an oblato-closo cluster","Chem.Commun.","2015","51","","3828","","10.1039/C4cc09630D","","","0.71073","MoKα","","0.054","0.0358","","","0.0796","0.0878","","","","","","1.034","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116580","9.8756","0.0005","16.6972","0.0008","14.5875","0.0007","90","","109.492","0.002","90","","2267.55","0.19","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Be N2 Si4 -","- C12 H36 Be N2 Si4 -","- C48 H144 Be4 N8 Si16 -","4","1","","D. Naglav; A. Neumann; D. Blaser; C. Wolper; R. Haack; G. Jansen; S. Schulz","Bonding situation in Be[N(SiMe3)2]2 - an experimental and computational study","Chem.Commun.","2015","51","","3889","","10.1039/C4cc09732G","","","0.71073","MoKα","","0.0588","0.0471","","","0.1213","0.1326","","","","","","1.024","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116581","10.3923","0.0013","18.707","0.002","18.841","0.003","61.769","0.003","75.03","0.003","74.372","0.003","3070.6","0.7","200","","200","2","","","","","","","","5","P -1","-P 1","2","","FAP-F4TCNQ","","- C83 H31 Cl2.5 F6 N6 -","- C83 H31 Cl2.5 F6 N6 -","- C166 H62 Cl5 F12 N12 -","2","1","","Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata","A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly","Chem.Commun.","2015","51","","3801","","10.1039/C4cc09883H","","","0.71075","MoKα","","0.2538","0.0628","","","0.1219","0.1744","","","","","","0.814","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116582","37.189","0.002","25.4108","0.0015","19.26","0.001","90","","107.552","0.0014","90","","17353.4","1.7","220","","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","MeOFAP-F4TCNQ","","- C86 H36 Cl12 F6 N6 O6 -","- C86 H36 Cl12 F6 N6 O6 -","- C688 H288 Cl96 F48 N48 O48 -","8","1","","Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata","A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly","Chem.Commun.","2015","51","","3801","","10.1039/C4cc09883H","","","0.71075","MoKα","","0.2495","0.103","","","0.2674","0.3224","","","","","","0.854","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116583","16.8833","0.0005","18.4991","0.0006","23.1447","0.0008","100.718","0.0009","96.6104","0.001","91.6599","0.0008","7046","0.4","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","FAP-C60","","- C162 H48 S4 -","- C162 H48 S4 -","- C486 H144 S12 -","3","1.5","","Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata","A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly","Chem.Commun.","2015","51","","3801","","10.1039/C4cc09883H","","","0.71075","MoKα","","0.129","0.0692","","","0.1619","0.188","","","","","","0.935","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116584","10.6327","0.0003","14.0819","0.0004","19.8579","0.0008","109.255","0.0009","90.5719","0.0011","109.406","0.0008","2623.52","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","FAP-TCNQ","","- C74 H35 Cl N6 -","- C74 H35 Cl N6 -","- C148 H70 Cl2 N12 -","2","1","","Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata","A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly","Chem.Commun.","2015","51","","3801","","10.1039/C4cc09883H","","","0.71075","MoKα","","0.0965","0.052","","","0.1319","0.1668","","","","","","1.041","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116585","11.9985","0.0007","16.7415","0.0011","25.3291","0.0018","80.709","0.006","88.755","0.005","69.258","0.005","4692.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H132 As4 Ge8 K3 N8 O18 V -","- C54 H108 As3.9984 Ge7.9992 K3 N6 O18 V0.9999 -","- C108 H216 As7.9968 Ge15.9984 K6 N12 O36 V1.9998 -","2","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","[V@Ge8As4]^3-^ and [Nb@Ge8As6]^3-^: encapsulation of electron-poor transition metal atoms","Chem.Commun.","2015","51","","3866","","10.1039/C4cc10086G","","","0.71073","MoKα","","0.1582","0.0598","","","0.1077","0.1194","","","","","","0.687","","","","has coordinates,has disorder","180279","2020-10-21","18:00:00",""
"7116586","16.1475","0.0007","16.7769","0.0006","18.0373","0.0008","89.184","0.003","80.452","0.003","79.42","0.003","4736.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H124 As6 Ge8 K3 N8 Nb O18 -","- C63 H124 As6 Ge8 K3 N8 Nb O18 -","- C126 H248 As12 Ge16 K6 N16 Nb2 O36 -","2","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","[V@Ge8As4]^3-^ and [Nb@Ge8As6]^3-^: encapsulation of electron-poor transition metal atoms","Chem.Commun.","2015","51","","3866","","10.1039/C4cc10086G","","","0.71073","MoKα","","0.0952","0.0346","","","0.0558","0.0628","","","","","","0.633","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116587","10.9216","0.0004","23.5529","0.0011","14.5767","0.0004","90","","126.717","0.002","90","","3005.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 N2 O6 P W -","- C28 H39 N2 O6 P W -","- C112 H156 N8 O24 P4 W4 -","4","1","","Jose Manuel Villalba Franco; Takahiro Sasamori; Gregor Schnakenburg; Arturo Espinosa Ferao; Rainer Streubel","Going for strain: synthesis of the first 3-imino-azaphosphiridine complexes and their conversion into oxaphosphirane complex valence isomers","Chem.Commun.","2015","51","","3878","","10.1039/C4cc10266E","","","0.71073","MoKα","","0.0782","0.036","","","0.0545","0.0631","","","","","","0.843","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116588","10.9909","0.0005","11.0605","0.0006","12.874","0.001","108.084","0.004","95.194","0.004","118.186","0.002","1257.68","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 N2 O5 P W -","- C22 H29 N2 O5 P W -","- C44 H58 N4 O10 P2 W2 -","2","1","","Jose Manuel Villalba Franco; Takahiro Sasamori; Gregor Schnakenburg; Arturo Espinosa Ferao; Rainer Streubel","Going for strain: synthesis of the first 3-imino-azaphosphiridine complexes and their conversion into oxaphosphirane complex valence isomers","Chem.Commun.","2015","51","","3878","","10.1039/C4cc10266E","","","0.71073","MoKα","","0.0521","0.0402","","","0.0958","0.1026","","","","","","1.035","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116589","9.5748","0.0005","27.7242","0.0013","10.5851","0.0005","90","","115.34","0.001","90","","2539.5","0.2","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N2 O6 P W -","- C22 H31 N2 O6 P W -","- C88 H124 N8 O24 P4 W4 -","4","1","","Jose Manuel Villalba Franco; Takahiro Sasamori; Gregor Schnakenburg; Arturo Espinosa Ferao; Rainer Streubel","Going for strain: synthesis of the first 3-imino-azaphosphiridine complexes and their conversion into oxaphosphirane complex valence isomers","Chem.Commun.","2015","51","","3878","","10.1039/C4cc10266E","","","0.71073","MoKα","","0.0248","0.0205","","","0.0462","0.0476","","","","","","1.021","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116590","9.4993","0.0003","18.9341","0.0003","15.0393","0.0002","90","","97.203","0.003","90","","2683.63","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N O6 -","- C31 H24 Br N O6 -","- C124 H96 Br4 N4 O24 -","4","2","","Haipeng Hu; Yangbin Liu; Jing Guo; Lili Lin; Yali Xu; Xiaohua Liu; Xiaoming Feng","Enantioselective synthesis of dihydrocoumarin derivatives by chiral scandium(III)-complex catalyzed inverse-electron-demand hetero-Diels-Alder reaction","Chem.Commun.","2015","51","","3835","","10.1039/C4cc10343B","","","1.54184","CuKα","","0.0547","0.0533","","","0.1433","0.1457","","","","","","1.042","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7116591","16.0973","0.0018","18.0969","0.0019","20.125","0.002","90.43","0.005","113.25","0.005","99.817","0.005","5289.5","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Ru-G","","- C45 H62 N4 O9 Ru -","- C45 H62 N4 O9 Ru -","- C180 H248 N16 O36 Ru4 -","4","2","","Ivry, Elisa; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Amino acids as chiral anionic ligands for ruthenium based asymmetric olefin metathesis","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3870","3873","10.1039/c5cc00052a","","","0.71073","MoKα","","0.1283","0.0851","","","0.2068","0.2245","","","","","","1.077","","","","has coordinates","211004","2020-10-21","18:00:00",""
"7116592","22.4956","0.001","22.4956","0.001","37.984","0.003","90","","90","","90","","19221.9","1.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ge3.88 In22.12 O Se50 -","- Ge3.84 In22.16 O Se50 -","- Ge15.36 In88.64 O4 Se200 -","4","0.25","","Han, Xiaohui; Xu, Jin; Wang, Zhenqing; Liu, Dan; Wang, Cheng","A hybrid linkage mode between T2,2 and T3 selenide clusters","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3919","3922","10.1039/c5cc00084j","","","0.71073","MoKα","","0.1548","0.0691","","","0.2078","0.2609","","","","","","1.043","","","","has coordinates","211003","2020-10-21","18:00:00",""
"7116593","31.0248","0.001","31.0248","0.001","42.9572","0.0017","90","","90","","120","","35808","2","100","0.1","100","0.1","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C432 H360 B28 F112 N72 O0 Pd6 Zn8 -","- C432 H360 B26 F104 N72 Pd6 Zn8 -","- C864 H720 B52 F208 N144 Pd12 Zn16 -","2","0.166667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.1254","0.0986","","","0.2846","0.3192","","","","","","1.193","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116594","25.9101","0.0003","25.9101","0.0003","25.9101","0.0003","90","","90","","90","","17394.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P 4 3 2","P 4 2 3","207","","","","- C456 H408 B28 F112 N72 O0 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","1","0.0416667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.105","0.0763","","","0.2291","0.2642","","","","","","0.883","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116595","25.9709","0.0003","25.9709","0.0003","25.9709","0.0003","90","","90","","90","","17517.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","8","P 4 3 2","P 4 2 3","207","","","","- C456 H408 B28 F112 N72 O0 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","- C456 H408 B8 F32 N72 Pd6 Zn8 -","1","0.0416667","","Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming","Diastereoselective synthesis of O symmetric heterometallic cubic cages","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3804","3807","10.1039/c5cc00087d","","","1.54178","CuKα","","0.0875","0.0736","","","0.1931","0.2047","","","","","","1.003","","","","has coordinates","209669","2020-10-21","18:00:00",""
"7116596","15.67","0.0002","16.5072","0.0003","21.2401","0.0004","90","","96.244","0.002","90","","5461.54","0.16","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H40 Cl2 N4 O7 Re2 -","- C67 H40 Cl2 N4 O7 Re2 -","- C268 H160 Cl8 N16 O28 Re8 -","4","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0803","0.0381","","","0.0697","0.0749","","","","","","0.868","","","","has coordinates","210896","2020-10-21","18:00:00",""
"7116597","10.854","0.0002","24.7778","0.0003","13.4316","0.0002","90","","110.589","0.002","90","","3381.54","0.1","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B Cl4 F4 N3 O3 Re -","- C32 H23 B Cl4 F4 N3 O3 Re -","- C128 H92 B4 Cl16 F16 N12 O12 Re4 -","4","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0386","0.0249","","","0.0616","0.0647","","","","","","1.044","","","","has coordinates","210896","2020-10-21","18:00:00",""
"7116598","22.7551","0.0003","54.882","0.001","11.6412","0.0002","90","","90","","90","","14538.1","0.4","140","2","140","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C36.5 H25 Cl3 F6 N3 O3 P Re -","- C584 H400 Cl48 F96 N48 O48 P16 Re16 -","16","1","","Saleh, Nidal; Srebro, Monika; Reynaldo, Thibault; Vanthuyne, Nicolas; Toupet, Loïc; Chang, Victoria Y.; Muller, Gilles; Williams, J. A. Gareth; Roussel, Christian; Autschbach, Jochen; Crassous, Jeanne","enantio-Enriched CPL-active helicene‒bipyridine‒rhenium complexes","Chemical Communications (Cambridge, United Kingdom)","2015","51","18","3754","3757","10.1039/c5cc00453e","","","0.71073","MoKα","","0.0373","0.032","","","0.0775","0.079","","","","","","0.937","","","","has coordinates,has disorder","210896","2020-10-21","18:00:00",""
"7116599","10.0833","0.0002","9.8576","0.0002","12.7262","0.0003","90","","95.327","0.001","90","","1259.48","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N4 O8 Ru -","- C24 H20 Cl N4 O8 Ru -","- C48 H40 Cl2 N8 O16 Ru2 -","2","1","","Javier J. Concepcion; Diane K. Zhong; David J. Szalda; James T. Muckerman; Etsuko Fujita","Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the 'blue dimer'","Chem.Commun.","2015","51","","4105","","10.1039/C4cc07968J","","","0.71073","MoKα","","0.0419","0.031","","","0.0614","0.0649","","","","","","0.993","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116600","7.6696","0.0018","11.321","0.002","32.206","0.007","90","","90","","90","","2796.4","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 Cl N4 O8 Ru -","- C30 H20 Cl N4 O8 Ru -","- C120 H80 Cl4 N16 O32 Ru4 -","4","1","","Javier J. Concepcion; Diane K. Zhong; David J. Szalda; James T. Muckerman; Etsuko Fujita","Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the 'blue dimer'","Chem.Commun.","2015","51","","4105","","10.1039/C4cc07968J","","","0.71073","MoKα","","0.1378","0.0745","","","0.1497","0.1693","","","","","","0.974","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116601","17.0712","0.0009","16.981","0.0011","20.3832","0.001","90","","108.073","0.006","90","","5617.3","0.6","126.8","0.3","126.8","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Eu2 N8 O34 Zn -","- C36 H26 Eu2 N8 O34 Zn -","- C144 H104 Eu8 N32 O136 Zn4 -","4","0.5","","Peng-Fei Shi; Huan-Cheng Hu; Zhan-Yun Zhang; Gang Xiong; Bin Zhao","Heterometal-organic frameworks as highly sensitive and highly selective luminescent probes to detect I^-^ ions in aqueous solutions","Chem.Commun.","2015","51","","3985","","10.1039/C4cc09081K","","","0.71073","MoKα","","0.082","0.0582","","","0.135","0.1502","","","","","","1.048","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7116602","17.0778","0.0007","16.9284","0.0004","20.3385","0.0009","90","","108.115","0.005","90","","5588.4","0.4","127.35","0.1","127.35","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 N8 O34 Tb2 Zn -","- C36 H26 N8 O34 Tb2 Zn -","- C144 H104 N32 O136 Tb8 Zn4 -","4","0.5","","Peng-Fei Shi; Huan-Cheng Hu; Zhan-Yun Zhang; Gang Xiong; Bin Zhao","Heterometal-organic frameworks as highly sensitive and highly selective luminescent probes to detect I^-^ ions in aqueous solutions","Chem.Commun.","2015","51","","3985","","10.1039/C4cc09081K","","","0.71073","MoKα","","0.0675","0.0523","","","0.1294","0.1404","","","","","","1.053","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7116603","17.2316","0.0006","16.7585","0.0007","21.2567","0.0007","90","","106.996","0.004","90","","5870.3","0.4","130.45","0.1","130.45","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 I2 N6 O21 Tb2 Zn -","- C36 H26 I2 N6 O21 Tb2 Zn -","- C144 H104 I8 N24 O84 Tb8 Zn4 -","4","0.5","","Peng-Fei Shi; Huan-Cheng Hu; Zhan-Yun Zhang; Gang Xiong; Bin Zhao","Heterometal-organic frameworks as highly sensitive and highly selective luminescent probes to detect I^-^ ions in aqueous solutions","Chem.Commun.","2015","51","","3985","","10.1039/C4cc09081K","","","0.71073","MoKα","","0.0784","0.0548","","","0.1256","0.1416","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7116604","11.687","0.005","14.366","0.006","12.127","0.005","90","","106.254","0.005","90","","1954.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 As O3 S2 -","- C21 H21 As O3 S2 -","- C84 H84 As4 O12 S8 -","4","1","","Nikhil Lalwani; Yu-Su Chen; Gemma Brooke; Neil A. Cross; David W. Allen; Alan Reynolds; Jesus Ojeda; Graham J. Tizzard; Simon J. Coles; Neil Bricklebank","Triphenylarsonium-functionalised gold nanoparticles: potential nanocarriers for intracellular therapeutics","Chem.Commun.","2015","51","","4109","","10.1039/C4cc09304F","","","0.71073","MoKα","","0.0858","0.073","","","0.1111","0.1173","","","","","","1.143","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116605","11.17","0.0003","13.6075","0.0004","14.4757","0.001","90","","91.738","0.007","90","","2199.23","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 As Br O S -","- C23 H24 As Br O S -","- C92 H96 As4 Br4 O4 S4 -","4","1","","Nikhil Lalwani; Yu-Su Chen; Gemma Brooke; Neil A. Cross; David W. Allen; Alan Reynolds; Jesus Ojeda; Graham J. Tizzard; Simon J. Coles; Neil Bricklebank","Triphenylarsonium-functionalised gold nanoparticles: potential nanocarriers for intracellular therapeutics","Chem.Commun.","2015","51","","4109","","10.1039/C4cc09304F","","","0.71075","MoKα","","0.0398","0.0267","","","0.053","0.0641","","","","","","0.96","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116606","35.5945","0.0002","14.4862","0.0001","38.2599","0.0002","90","","113.9","","90","","18036.3","0.19","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 Cl4 Fe N7 O72 Si2 W18 -","- C116 Cl4 Fe N7 O72 Si2 W18 -","- C464 Cl16 Fe4 N28 O288 Si8 W72 -","4","0.5","","Rinta Sato; Kosuke Suzuki; Takuo Minato; Masahiro Shinoe; Kazuya Yamaguchi; Noritaka Mizuno","Field-induced slow magnetic relaxation of octahedrally coordinated mononuclear Fe(III)-, Co(II)-, and Mn(III)-containing polyoxometalates","Chem.Commun.","2015","51","","4081","","10.1039/C4cc09435B","","","0.71069","MoKα","","0.0443","0.0424","","","0.0985","0.0996","","","","","","1.103","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116607","14.6616","0.0001","18.7039","0.0002","19.0694","0.0002","106.86","","92.59","","98.25","","4931.97","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 Co N7 O70 Si2 W18 -","- C124 Cl12 Co N7 O70 Si2 W18 -","- C124 Cl12 Co N7 O70 Si2 W18 -","1","0.5","","Rinta Sato; Kosuke Suzuki; Takuo Minato; Masahiro Shinoe; Kazuya Yamaguchi; Noritaka Mizuno","Field-induced slow magnetic relaxation of octahedrally coordinated mononuclear Fe(III)-, Co(II)-, and Mn(III)-containing polyoxometalates","Chem.Commun.","2015","51","","4081","","10.1039/C4cc09435B","","","0.71069","MoKα","","0.0641","0.0616","","","0.1505","0.1526","","","","","","1.077","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116608","35.6567","0.0002","14.4553","0.0001","38.3421","0.0003","90","","113.89","","90","","18069.4","0.2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 Mn N7 O74 Si2 W18 -","- C114 Mn N7 O74 Si2 W18 -","- C456 Mn4 N28 O296 Si8 W72 -","4","0.5","","Rinta Sato; Kosuke Suzuki; Takuo Minato; Masahiro Shinoe; Kazuya Yamaguchi; Noritaka Mizuno","Field-induced slow magnetic relaxation of octahedrally coordinated mononuclear Fe(III)-, Co(II)-, and Mn(III)-containing polyoxometalates","Chem.Commun.","2015","51","","4081","","10.1039/C4cc09435B","","","0.71069","MoKα","","0.0514","0.0469","","","0.112","0.1161","","","","","","1.084","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7116609","14.5525","0.0003","14.5525","0.0003","24.7573","0.0006","90","","90","","120","","4540.56","0.17","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H36 N6 O7 Zn4 -","- C42 H36 N6 O7 Zn4 -","- C168 H144 N24 O28 Zn16 -","4","0.333333","","D. Prochowicz; K. Sokolowski; I. Justyniak; A. Kornowicz; D. Fairen-Jimenez; T. Friscic; J. Lewinski","A mechanochemical strategy for IRMOF assembly based on pre-designed oxo-zinc precursors","Chem.Commun.","2015","51","","4032","","10.1039/C4cc09917F","","","0.71073","MoKα","","0.062","0.0539","","","0.1134","0.1176","","","","","","1.151","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116610","7.71","0.002","12.999","0.004","17.692","0.005","90","","92.506","0.008","90","","1771.4","0.9","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 F N2 O5 P -","- C14 H22 F N2 O5 P -","- C56 H88 F4 N8 O20 P4 -","4","2","","Inmaculada Serrano; David Monge; Eleuterio Alvarez; Rosario Fernandez; Jose M. Lassaletta","Asymmetric organocatalytic synthesis of quaternary alpha-hydroxy phosphonates: en route to alpha-aryl phosphaisoserines","Chem.Commun.","2015","51","","4077","","10.1039/C4cc10390D","","","0.71073","MoKα","","0.1084","0.061","","","0.1644","0.2394","","","","","","1.011","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116611","8.3971","0.0003","12.4057","0.0004","17.927","0.0006","90","","90","","90","","1867.49","0.11","100","","100.11","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 Zr -","- C24 H24 Zr -","- C96 H96 Zr4 -","4","0.5","","Thapa, Surendra; Basnet, Prakash; Gurung, Santosh K.; Giri, Ramesh","Copper-catalysed cross-coupling of arylzirconium reagents with aryl and heteroaryl iodides","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4009","4012","10.1039/c5cc00116a","","","0.71073","MoKα","","0.0219","0.0187","","","0.0493","0.0521","","","","","","1.042","","","","has coordinates","211002","2020-10-21","18:00:00",""
"7116612","10.5213","0.0016","12.6202","0.0019","15.122","0.002","96.136","0.004","98.791","0.004","96.912","0.005","1953.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Cs2 H30.8 K10 Nb12 O65.4 Pt2 -","- Cs2 K10 Nb12 O65.4 Pt2 -","- Cs2 K10 Nb12 O65.4 Pt2 -","1","0.5","","Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.","Platinum polyoxoniobates","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4021","4023","10.1039/c5cc00315f","","x-ray","0.71073","MoKα","","0.1015","0.082","","","0.2189","0.2301","","","","","","1.128","","","","has coordinates,has disorder","210897","2020-10-21","18:00:00",""
"7116613","18.1811","0.0006","18.1811","0.0006","18.1811","0.0006","90","","90","","90","","6009.8","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- H36 K10 Na2 Nb12 O56 Pt -","- K9.999 Na2 Nb12 O56 Pt -","- K39.996 Na8 Nb48 O224 Pt4 -","4","0.166667","","Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.","Platinum polyoxoniobates","Chemical Communications (Cambridge, United Kingdom)","2015","51","19","4021","4023","10.1039/c5cc00315f","","x-ray","0.71073","MoKα","","0.048","0.0394","","","0.1322","0.1429","","","","","","1.073","","","","has coordinates,has disorder","210897","2020-10-21","18:00:00",""
"7116614","11.3756","0.0011","12.5651","0.0012","19.3584","0.0018","82.926","0.003","75.15","0.003","77.945","0.003","2608.5","0.4","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 B Te -","- C34 H25 B Te -","- C136 H100 B4 Te4 -","4","2","","Fu An Tsao; Alan. J. Lough; Douglas W. Stephan","Intramolecular 1,1-carboboration versus intermolecular FLP addition in reactions of boranes and bis(phenylethynyl)telluroether","Chem.Commun.","2015","51","","4287","","10.1039/C4cc09258A","","","0.71073","MoKα","","0.0556","0.029","","","0.0536","0.0595","","","","","","0.993","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116615","12.4545","0.0005","13.2182","0.0006","20.2994","0.0008","74.416","0.002","73.514","0.002","81.701","0.002","3078.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H10 B F15 Te -","- C34 H10 B F15 Te -","- C136 H40 B4 F60 Te4 -","4","2","","Fu An Tsao; Alan. J. Lough; Douglas W. Stephan","Intramolecular 1,1-carboboration versus intermolecular FLP addition in reactions of boranes and bis(phenylethynyl)telluroether","Chem.Commun.","2015","51","","4287","","10.1039/C4cc09258A","","","0.71073","MoKα","","0.0875","0.0408","","","0.0589","0.0684","","","","","","0.999","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7116616","11.3615","0.0007","11.5042","0.0007","13.1803","0.0008","77.723","0.004","66.878","0.003","69.212","0.003","1475.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H15 B F10 Te -","- C34 H15 B F10 Te -","- C68 H30 B2 F20 Te2 -","2","1","","Fu An Tsao; Alan. J. Lough; Douglas W. Stephan","Intramolecular 1,1-carboboration versus intermolecular FLP addition in reactions of boranes and bis(phenylethynyl)telluroether","Chem.Commun.","2015","51","","4287","","10.1039/C4cc09258A","","","0.71073","MoKα","","0.0613","0.0461","","","0.1197","0.1305","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116617","39.238","0.015","21.195","0.006","20.08","0.005","90","","108.82","0.02","90","","15807","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H30 B2 F20 Te2 -","- C68 H30 B2 F20 Te2 -","- C544 H240 B16 F160 Te16 -","8","1","","Fu An Tsao; Alan. J. Lough; Douglas W. Stephan","Intramolecular 1,1-carboboration versus intermolecular FLP addition in reactions of boranes and bis(phenylethynyl)telluroether","Chem.Commun.","2015","51","","4287","","10.1039/C4cc09258A","","","0.71073","MoKα","","0.0608","0.0393","","","0.0858","0.0903","","","","","","0.879","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116618","7.7015","0.0002","12.0371","0.0003","18.2095","0.0006","90","","90","","90","","1688.09","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl Li N2 O3 -","- C17 H20 Cl Li N2 O3 -","- C68 H80 Cl4 Li4 N8 O12 -","4","1","","Krzysztof Ziach; Janusz Jurczak","Mirror symmetry breaking upon spontaneous crystallization from a dynamic combinatorial library of macrocyclic imines","Chem.Commun.","2015","51","","4306","","10.1039/C4cc10083B","","","0.71073","MoKα","","0.0254","0.0221","","","0.0531","0.0536","","","","","","1.003","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116619","7.6122","0.0002","18.1368","0.0006","14.751","0.0005","90","","96.894","0.002","90","","2021.81","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C37 H40 Cl2 Li2 N4 O14 -","- C37 H40 Cl2 Li2 N4 O14 -","- C74 H80 Cl4 Li4 N8 O28 -","2","1","","Krzysztof Ziach; Janusz Jurczak","Mirror symmetry breaking upon spontaneous crystallization from a dynamic combinatorial library of macrocyclic imines","Chem.Commun.","2015","51","","4306","","10.1039/C4cc10083B","","","0.71073","MoKα","","0.0601","0.0454","","","0.122","0.1261","","","","","","1.034","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116620","9.807","0.0004","13.8699","0.0009","16.6745","0.0011","109.657","0.006","95.088","0.004","107.141","0.004","1996.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 Cl3 O3 -","- C39 H52 Cl3 O3 -","- C78 H104 Cl6 O6 -","2","1","","Shafali Arora; Shivali Sharma; Venus S. Mithu; Chang Hee-Lee; Kamaljit Singh","Selective functionalization of methylene bridges of calix[6]arenes. Isolation and identification of stable conformers of methyl ether of p-tert-butylcalix[6]arene","Chem.Commun.","2015","51","","4227","","10.1039/C4cc10400E","","","0.71073","MoKα","","0.0983","0.0734","","","0.2175","0.2544","","","","","","1.03","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116621","13.323","0.0014","16.3491","0.0014","17.448","0.002","72.532","0.01","84.273","0.01","89.557","0.008","3606.2","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H92 O6 -","- C78 H92 O6 -","- C156 H184 O12 -","2","1","","Shafali Arora; Shivali Sharma; Venus S. Mithu; Chang Hee-Lee; Kamaljit Singh","Selective functionalization of methylene bridges of calix[6]arenes. Isolation and identification of stable conformers of methyl ether of p-tert-butylcalix[6]arene","Chem.Commun.","2015","51","","4227","","10.1039/C4cc10400E","","","0.71073","MoKα","","0.4219","0.1584","","","0.3448","0.4984","","","","","","0.948","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116622","10.6574","0.0014","14.7322","0.0019","17.013","0.002","66.539","0.004","80.163","0.004","80.329","0.004","2399.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H55 Cl3 N8 -","- C55 H55 Cl3 N8 -","- C110 H110 Cl6 N16 -","2","1","","Koushik Acharyya; Partha Sarathi Mukherjee","Shape and size directed self-selection in organic cage formation","Chem.Commun.","2015","51","","4241","","10.1039/C5cc00075K","","","0.71073","MoKα","","0.0875","0.0662","","","0.1844","0.1956","","","","","","1.102","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116623","13.5006","0.0014","13.5006","0.0014","29.691","0.003","90","","90","","120","","4686.6","0.8","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C48 H42 N4 O6 -","- C48 H42 N4 O6 -","- C192 H168 N16 O24 -","4","0.333333","","Koushik Acharyya; Partha Sarathi Mukherjee","Shape and size directed self-selection in organic cage formation","Chem.Commun.","2015","51","","4241","","10.1039/C5cc00075K","","","0.71073","MoKα","","0.1766","0.132","","","0.3032","0.3269","","","","","","1.292","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116624","17.6515","0.0012","27.369","0.0018","11.1516","0.0008","90","","102.653","0.002","90","","5256.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cl6 N8 O3 -","- C56 H56 Cl6 N8 O3 -","- C224 H224 Cl24 N32 O12 -","4","1","","Koushik Acharyya; Partha Sarathi Mukherjee","Shape and size directed self-selection in organic cage formation","Chem.Commun.","2015","51","","4241","","10.1039/C5cc00075K","","","0.71073","MoKα","","0.0945","0.0552","","","0.1146","0.1279","","","","","","1.048","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116625","7.2035","0.0009","18.776","0.002","21.734","0.003","90","","91.764","0.004","90","","2938.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","1","","Koushik Acharyya; Partha Sarathi Mukherjee","Shape and size directed self-selection in organic cage formation","Chem.Commun.","2015","51","","4241","","10.1039/C5cc00075K","","","0.71073","MoKα","","0.1494","0.0981","","","0.2662","0.2848","","","","","","1.099","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116626","16.736","0.003","11.336","0.002","18.978","0.003","90","","106.354","0.003","90","","3454.8","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Ge2 N4 Se3 -","- C30 H46 Ge2 N4 Se2.607 -","- C120 H184 Ge8 N16 Se10.428 -","4","1","","Surendar Karwasara; Dhirendra Yadav; Chandan Kumar Jha; Gopalan Rajaraman; Selvarajan Nagendran","Single-step conversion of silathiogermylene to germaacid anhydrides: unusual reactivity","Chem.Commun.","2015","51","","4310","","10.1039/C5cc00169B","","","0.71073","MoKα","","0.0545","0.0419","","","0.1169","0.1329","","","","","","1.088","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116627","16.4","0.004","11.364","0.003","18.733","0.005","90","","106.005","0.004","90","","3355.9","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Ge2 N4 S3 -","- C30 H46 Ge2 N4 S3 -","- C120 H184 Ge8 N16 S12 -","4","1","","Surendar Karwasara; Dhirendra Yadav; Chandan Kumar Jha; Gopalan Rajaraman; Selvarajan Nagendran","Single-step conversion of silathiogermylene to germaacid anhydrides: unusual reactivity","Chem.Commun.","2015","51","","4310","","10.1039/C5cc00169B","","","0.71073","MoKα","","0.0599","0.0426","","","0.0921","0.0981","","","","","","1.025","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116628","10.671","0.008","11.025","0.008","11.868","0.008","89.45","0.009","77.812","0.009","79.52","0.009","1341.4","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","a21020a","","- C26 H27 Cl2 Cu N5 O3 -","- C26 H27 Cl2 Cu N5 O3 -","- C52 H54 Cl4 Cu2 N10 O6 -","2","1","","Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu","The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch","Chem.Commun.","2015","51","","4267","","10.1039/C5cc00196J","","","0.71073","MoKα","","0.0773","0.0584","","","0.1709","0.1815","","","","","","1.013","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116629","7.59","0.003","20.098","0.007","13.487","0.005","90","","94.218","0.004","90","","2051.8","1.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","a30701b","","- C20 H13 Cl Cu F3 N3 O4 S -","- C20 H13 Cl Cu F3 N3 O4 S -","- C80 H52 Cl4 Cu4 F12 N12 O16 S4 -","4","1","","Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu","The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch","Chem.Commun.","2015","51","","4267","","10.1039/C5cc00196J","","","0.71073","MoKα","","0.0548","0.0377","","","0.0891","0.0935","","","","","","0.914","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116630","10.758","0.004","10.951","0.004","12.045","0.005","87.424","0.005","78.339","0.005","79.489","0.005","1366.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","a40401a","","- C28 H29 Cl2 Cu N5 O2 -","- C28 H29 Cl2 Cu N5 O2 -","- C56 H58 Cl4 Cu2 N10 O4 -","2","1","","Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu","The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch","Chem.Commun.","2015","51","","4267","","10.1039/C5cc00196J","","","0.71073","MoKα","","0.0874","0.0705","","","0.1876","0.2032","","","","","","1.007","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116631","10.634","0.003","10.982","0.003","11.926","0.003","89.311","0.004","77.918","0.004","79.929","0.004","1340.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","mo_30916b","","- C26 H27 Cl2 Cu N5 O2 S -","- C26 H27 Cl2 Cu N5 O2 S -","- C52 H54 Cl4 Cu2 N10 O4 S2 -","2","1","","Weiwei Fang; Cong Liu; Jiangbo Chen; Zhengwei Lu; Zhi-Ming Li; Xiaoling Bao; Tao Tu","The electronic effects of ligands on metal-coordination geometry: a key role in the visual discrimination of dimethylaminopyridine and its application towards chemo-switch","Chem.Commun.","2015","51","","4267","","10.1039/C5cc00196J","","","0.71073","MoKα","","0.0831","0.0593","","","0.1666","0.2024","","","","","","1.077","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116632","4.6304","0.0017","14.479","0.006","8.886","0.003","90","","90.402","0.007","90","","595.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N4 -","- C16 H8 N4 -","- C32 H16 N8 -","2","0.5","","Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao","Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines","Chem.Commun.","2015","51","","4275","","10.1039/C5cc00537J","","","0.71073","MoKα","","0.1155","0.0732","","","0.1842","0.2114","","","","","","1.006","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116633","3.8176","0.0003","18.9603","0.0013","8.7979","0.0006","90","","95.327","0.001","90","","634.07","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-chloro-cyclobuta[1,2-b:3,4-b']diquinoxaline","","- C16 H7 Cl N4 -","- C16 H6 Cl N4 -","- C32 H12 Cl2 N8 -","2","0.5","","Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao","Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines","Chem.Commun.","2015","51","","4275","","10.1039/C5cc00537J","","","0.71073","MoKα","","0.0542","0.0366","","","0.0999","0.1115","","","","","","1.021","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116634","3.8194","0.0002","19.4986","0.0008","8.9236","0.0004","90","","99.974","0.002","90","","654.52","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8-dichloro-cyclobuta[1,2-b:3,4-b']diquinoxaline","","- C16 H6 Cl2 N4 -","- C16 H6 Cl2 N4 -","- C32 H12 Cl4 N8 -","2","0.5","","Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao","Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines","Chem.Commun.","2015","51","","4275","","10.1039/C5cc00537J","","","0.71073","MoKα","","0.0786","0.0496","","","0.1211","0.1446","","","","","","1.099","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116635","4.7573","0.0016","7.941","0.003","8.892","0.003","92.898","0.01","100.56","0.011","94.347","0.01","328.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,8-dichloro-cyclobuta[1,2-b:3,4-b'] diquinoxaline and 2,9-dichloro-cyclobuta[1,2-b:3,4-b'] diquinoxaline","","- C16 H4 Cl2 N4 -","- C16 H4 Cl2 N4 -","- C16 H4 Cl2 N4 -","1","0.5","","Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao","Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines","Chem.Commun.","2015","51","","4275","","10.1039/C5cc00537J","","","0.71073","MoKα","","0.1459","0.1272","","","0.3611","0.3685","","","","","","1.273","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116636","5.8383","0.0002","6.0989","0.0002","10.5832","0.0004","82.636","0.002","76.077","0.002","82.498","0.002","360.8","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3,8,9-tetrachloro-cyclobuta[1,2-b:3,4-b']diquinoxaline","","- C16 H4 Cl4 N4 -","- C16 H4 Cl4 N4 -","- C16 H4 Cl4 N4 -","1","0.5","","Shuaijun Yang; Danqing Liu; Xiaomin Xu; Qian Miao","Molecular packing and n-channel thin film transistors of chlorinated cyclobuta[1,2-b:3,4-b']diquinoxalines","Chem.Commun.","2015","51","","4275","","10.1039/C5cc00537J","","","0.71073","MoKα","","0.0364","0.0289","","","0.0793","0.0836","","","","","","1.052","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116637","7.991","0.0016","9.776","0.002","15.449","0.003","100.26","0.03","102.15","0.03","103.55","0.03","1113.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 Cl6 Ir2 N4 -","- C46 H50 Cl6 Ir2 N4 -","- C46 H50 Cl6 Ir2 N4 -","1","0.5","","Nem Singh; Jae-Ho Jo; Young Ho Song; Hyunuk Kim; Dongwook Kim; Myoung Soo Lah; Ki-Whan Chi","Coordination-driven self-assembly of an iridium-cornered prismatic cage and encapsulation of three heteroguests in its large cavity","Chem.Commun.","2015","51","","4492","","10.1039/C4cc09494H","","","0.7","synchrotron","","0.0329","0.0317","","","0.0875","0.0933","","","","","","1.093","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116638","27.189","0.005","30.491","0.006","29.069","0.006","90","","100.26","0.03","90","","23713","8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C254 H220 F18 Ir6 N24 O21 S6 -","- C254 H218 F18 Ir6 N24 O21 S6 -","- C1016 H872 F72 Ir24 N96 O84 S24 -","4","1","","Nem Singh; Jae-Ho Jo; Young Ho Song; Hyunuk Kim; Dongwook Kim; Myoung Soo Lah; Ki-Whan Chi","Coordination-driven self-assembly of an iridium-cornered prismatic cage and encapsulation of three heteroguests in its large cavity","Chem.Commun.","2015","51","","4492","","10.1039/C4cc09494H","","","0.7","synchrotron","","0.0819","0.0781","","","0.2777","0.2826","","","","","","1.155","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116639","46.154","0.007","46.154","0.007","49.592","0.01","90","","90","","90","","105640","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C256 H208 Ir6 N26 O4 -","- C256 H208 Ir6 N26 O4 -","- C4096 H3328 Ir96 N416 O64 -","16","1","","Nem Singh; Jae-Ho Jo; Young Ho Song; Hyunuk Kim; Dongwook Kim; Myoung Soo Lah; Ki-Whan Chi","Coordination-driven self-assembly of an iridium-cornered prismatic cage and encapsulation of three heteroguests in its large cavity","Chem.Commun.","2015","51","","4492","","10.1039/C4cc09494H","","","0.61","synchrotron","","0.0982","0.0711","","","0.1888","0.2027","","","","","","0.922","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7116640","7.761","0.005","9.02","0.006","21.077","0.013","90","","97.965","0.011","90","","1461.2","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Juan Du; Xiuli Zhang; Xi Sun; Lei Wang","Copper-catalyzed direct alpha-ketoesterification of propiophenones with acetophenones via C(sp^3^)-H oxidative cross-coupling","Chem.Commun.","2015","51","","4372","","10.1039/C4cc09524C","","","0.71073","MoKα","","0.0941","0.0464","","","0.1151","0.1466","","","","","","1.013","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116641","14.6334","0.0015","8.9414","0.0009","17.7375","0.0018","90","","105.381","0.002","90","","2237.7","0.4","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 N2 -","- C32 H22 N2 -","- C128 H88 N8 -","4","1","","Wei Huang; Lu Sun; Zhiwen Zheng; Jianhua Su; He Tian","Colour-tunable fluorescence of single molecules based on the vibration induced emission of phenazine","Chem.Commun.","2015","51","","4462","","10.1039/C4cc09613D","","","0.71073","MoKα","","0.056","0.0424","","","0.1174","0.128","","","","","","1.019","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116642","13.0808","0.0011","10.6982","0.0009","14.0524","0.0012","90","","96.336","0.002","90","","1954.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Fe(LN5)(CN)][BF4]","","- C16 H23 B F4 Fe N6 -","- C16 H23 B F4 Fe N6 -","- C64 H92 B4 F16 Fe4 N24 -","4","1","","Dong Shao; Shao-Liang Zhang; Xin-Hua Zhao; Xin-Yi Wang","Spin canting, metamagnetism, and single-chain magnetic behaviour in a cyano-bridged homospin iron(II) compound","Chem.Commun.","2015","51","","4360","","10.1039/C4cc10003D","","","0.71073","MoKα","","0.0551","0.0438","","","0.1227","0.1302","","","","","","1.043","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116643","7.3418","0.0002","15.788","0.0005","31.0079","0.0008","83.135","0.002","87.475","0.002","89.797","0.002","3564.96","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","BN-Coronene","","- C42 H36 B3 N3 O6 -","- C42 H36 B3 N3 O6 -","- C168 H144 B12 N12 O24 -","4","4","","Xiao-Ye Wang; Fang-Dong Zhuang; Xin-Chang Wang; Xiao-Yu Cao; Jie-Yu Wang; Jian Pei","Synthesis, structure and properties of C3-symmetric heterosuperbenzene with three BN units","Chem.Commun.","2015","51","","4368","","10.1039/C4cc10105G","","x-ray","1.54184","CuKα","","0.074","0.0636","","","0.1801","0.1871","","","","","","1.106","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116644","23.8865","0.0013","25.4288","0.0013","31.7818","0.0017","96.15","0.003","107.106","0.003","113.591","0.002","16341.8","1.6","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C232.5 H188 F52.5 N20.5 O P16.75 Pd4 Ru2 -","- C232.5 H188 F52.5 N20.5 O P16.75 Pd4 Ru2 -","- C465 H376 F105 N41 O2 P33.5 Pd8 Ru4 -","2","1","","Jiajia Yang; Mohan Bhadbhade; William A. Donald; Hasti Iranmanesh; Evan G. Moore; Hong Yan; Jonathon E. Beves","Self-assembled supramolecular cages containing ruthenium(II) polypyridyl complexes","Chem.Commun.","2015","51","","4465","","10.1039/C4cc10292D","","","0.71073","MoKα","","0.2443","0.1133","","","0.2885","0.3201","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116645","31.584","0.006","16.937","0.003","26.449","0.005","90","","105.27","0.03","90","","13649","5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","C63H45.7F9N11O4.2P1.5Ru","","- C63 H45 F7.5 N11 O2 P1.25 Ru -","- C63 H45 F7.5 N11 O2 P1.25 Ru -","- C504 H360 F60 N88 O16 P10 Ru8 -","8","1","","Jiajia Yang; Mohan Bhadbhade; William A. Donald; Hasti Iranmanesh; Evan G. Moore; Hong Yan; Jonathon E. Beves","Self-assembled supramolecular cages containing ruthenium(II) polypyridyl complexes","Chem.Commun.","2015","51","","4465","","10.1039/C4cc10292D","","","0.71073","Synchrotron","","0.0592","0.0564","","","0.1773","0.1806","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116646","9.3649","0.0002","15.0028","0.0004","11.1821","0.0007","90","","92.996","0.007","90","","1568.93","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C60 H72 I4 N4 O8 -","4","1","","H.Q. Nimal Gunaratne; Peter Nockemann; Kenneth R. Seddon","Pro-fragrant ionic liquids with stable hemiacetal motifs: water-triggered release of fragrances","Chem.Commun.","2015","51","","4455","","10.1039/C5cc00099H","","","0.71075","MoKα","","0.0143","0.0134","","","0.0337","0.034","","","","","","1.095","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116647","9.2814","0.0016","11.711","0.0017","12.1339","0.0013","113.081","0.012","96.35","0.011","102.204","0.014","1158.1","0.3","291.89","0.1","291.89","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 Cl O8 -","- C24 H23 Cl O8 -","- C48 H46 Cl2 O16 -","2","1","","Hong Lu; Jin-Yu Liu; Chen-Guang Li; Jun-Bing Lin; Yong-Min Liang; Peng-Fei Xu","A new chiral C1-symmetric NHC-catalyzed addition to alpha-aryl substituted alpha,beta-disubstituted enals: enantioselective synthesis of fully functionalized dihydropyranones","Chem.Commun.","2015","51","","4473","","10.1039/C5cc00118H","","","0.71073","MoKα","","0.1562","0.0652","","","0.13","0.1818","","","","","","1.03","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116648","7.3088","0.0017","31.966","0.009","12.46","0.004","90","","90","","90","","2911.1","1.4","113","","113","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C14 H14 Br2 N2 -","- C14 H14 Br2 N2 -","- C112 H112 Br16 N16 -","8","1","","Yusuke Kita; Kosuke Higashida; Kenta Yamaji; Atsuhiro Iimuro; Kazushi Mashima","Asymmetric hydrogenation of quinazolinium salts catalysed by halide-bridged dinuclear iridium complexes bearing chiral diphosphine ligands","Chem.Commun.","2015","51","","4380","","10.1039/C5cc00258C","","","0.71075","MoKα","","0.0612","0.0472","","","0.0935","0.1014","","","","","","0.999","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116649","14.4388","0.0005","14.3302","0.0005","14.9599","0.0005","90","","94.1029","0.001","90","","3087.43","0.18","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H76 Br2 Ir2 N4 -","- C72 H76 Br2 Ir2 N4 -","- C144 H152 Br4 Ir4 N8 -","2","1","","Yusuke Kita; Kosuke Higashida; Kenta Yamaji; Atsuhiro Iimuro; Kazushi Mashima","Asymmetric hydrogenation of quinazolinium salts catalysed by halide-bridged dinuclear iridium complexes bearing chiral diphosphine ligands","Chem.Commun.","2015","51","","4380","","10.1039/C5cc00258C","","","0.71075","MoKα","","0.0566","0.0393","","","0.0688","0.0716","","","","","","1.004","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116650","15.2526","0.0008","8.7689","0.0004","19.1451","0.0011","90","","90.857","0.005","90","","2560.3","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Br N2 O3 S -","- C30 H23 Br N2 O3 S -","- C120 H92 Br4 N8 O12 S4 -","4","1","","Yuanhao Wang; Xiaoqiang Lei; Yefeng Tang","Rh(II)-catalyzed cycloadditions of 1-tosyl 1,2,3-triazoles with 2H-azirines: switchable reactivity of Rh-azavinylcarbene as [2C]- or aza-[3C]-synthon","Chem.Commun.","2015","51","","4507","","10.1039/C5cc00268K","","","0.7107","MoKα","","0.0791","0.0502","","","0.0997","0.1125","","","","","","1.046","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116651","13.7344","0.0007","11.3573","0.0006","15.3726","0.0009","90","","95.591","0.005","90","","2386.5","0.2","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","1","","Yuanhao Wang; Xiaoqiang Lei; Yefeng Tang","Rh(II)-catalyzed cycloadditions of 1-tosyl 1,2,3-triazoles with 2H-azirines: switchable reactivity of Rh-azavinylcarbene as [2C]- or aza-[3C]-synthon","Chem.Commun.","2015","51","","4507","","10.1039/C5cc00268K","","","0.7107","MoKα","","0.0607","0.0433","","","0.1035","0.115","","","","","","1.053","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116652","9.1418","0.0009","9.388","0.001","12.6939","0.0013","90","","110.69","0.002","90","","1019.17","0.18","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","cd214397","","- C20 H23 N O6 S2 -","- C20 H23 N O6 S2 -","- C40 H46 N2 O12 S4 -","2","1","","Chao Song; Wen Yang; Nannan Zhou; Rui Qian; Yajun Zhang; Kaiyan Lou; Rui Wang; Wei Wang","Fluorescent theranostic agents for Hg2+ detection and detoxification treatment","Chem.Commun.","2015","51","","4443","","10.1039/C5cc00295H","","","0.71073","MoKα","","0.0459","0.0403","","","0.0941","0.0974","","","","","","1.025","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116653","10.3348","0.001","19.1818","0.0018","22.503","0.002","80.708","0.003","78.639","0.002","78.993","0.002","4257.4","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","DPAF-8","7,14-bis(3',4',5'-tris(octyloxy)-[1,1'-biphenyl]-4-yl)acenaphtho[1,2-k]fluoranthene","","- C98 H126 O6 -","- C98 H126 O6 -","- C196 H252 O12 -","2","1","","Liang Han; Yuewei Zhang; Weiping Chen; Xiao Cheng; Kaiqing Ye; Jingying Zhang; Yue Wang","Assembly of twisted luminescent architectures based on acenaphtho[1,2-k]fluoranthene derivatives","Chem.Commun.","2015","51","","4477","","10.1039/C5cc00476D","","","0.71073","MoKα","","0.1881","0.1055","","","0.2532","0.319","","","","","","1.018","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116654","14.2926","0.00015","17.57617","0.00019","30.9787","0.0004","96.4495","0.0009","91.4551","0.0009","106.009","0.0009","7420.04","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H66 B F27 Ir N6 O6 -","- C74 H65 B F27 Ir N6 O6 -","- C296 H260 B4 F108 Ir4 N24 O24 -","4","2","","Simone A. Hauser; Ivan Prokes; Adrian B. Chaplin","Low-coordinate iridium NHC complexes derived from selective and reversible C-H bond activation of fluoroarenes","Chem.Commun.","2015","51","","4425","","10.1039/C5cc00529A","","x-ray","0.71073","MoKα","","0.0493","0.04","","","0.086","0.0897","","","","","","1.06","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116655","19.5682","0.0004","18.7483","0.0003","20.39","0.0005","90","","104.772","0.002","90","","7233.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H58 B Cl2 F26 Ir N6 O4 -","- C71 H57 B Cl2 F26 Ir N6 O4 -","- C284 H228 B4 Cl8 F104 Ir4 N24 O16 -","4","1","","Simone A. Hauser; Ivan Prokes; Adrian B. Chaplin","Low-coordinate iridium NHC complexes derived from selective and reversible C-H bond activation of fluoroarenes","Chem.Commun.","2015","51","","4425","","10.1039/C5cc00529A","","x-ray","0.71073","MoKα","","0.0708","0.0543","","","0.1327","0.1423","","","","","","1.043","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116656","20.7249","0.0005","22.1162","0.0003","18.7709","0.0004","90","","116.331","0.003","90","","7711.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77 H70 B F26 Ir N6 O6 -","- C77 H69 B F26 Ir N6 O6 -","- C308 H276 B4 F104 Ir4 N24 O24 -","4","1","","Simone A. Hauser; Ivan Prokes; Adrian B. Chaplin","Low-coordinate iridium NHC complexes derived from selective and reversible C-H bond activation of fluoroarenes","Chem.Commun.","2015","51","","4425","","10.1039/C5cc00529A","","x-ray","0.71073","MoKα","","0.0724","0.05","","","0.1136","0.1247","","","","","","1.049","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116657","14.3353","0.0002","17.5209","0.0002","30.9758","0.0004","95.9306","0.001","91.1596","0.0011","106.158","0.0012","7423","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H63 B F27 Ir N6 O6 -","- C71 H62 B F27 Ir N6 O6 -","- C284 H248 B4 F108 Ir4 N24 O24 -","4","2","","Simone A. Hauser; Ivan Prokes; Adrian B. Chaplin","Low-coordinate iridium NHC complexes derived from selective and reversible C-H bond activation of fluoroarenes","Chem.Commun.","2015","51","","4425","","10.1039/C5cc00529A","","x-ray","0.71073","MoKα","","0.0566","0.0379","","","0.0879","0.0957","","","","","","1.035","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116658","13.782","0.0002","20.0926","0.0002","25.2535","0.0003","90","","91.1355","0.0012","90","","6991.73","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H63 B F24 Ir N7 O6 -","- C67 H63 B F24 Ir N7 O6 -","- C268 H252 B4 F96 Ir4 N28 O24 -","4","1","","Simone A. Hauser; Ivan Prokes; Adrian B. Chaplin","Low-coordinate iridium NHC complexes derived from selective and reversible C-H bond activation of fluoroarenes","Chem.Commun.","2015","51","","4425","","10.1039/C5cc00529A","","x-ray","0.71073","MoKα","","0.0643","0.041","","","0.0865","0.0967","","","","","","1.015","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116659","7.486","0.007","9.564","0.009","10.597","0.011","75.8","0.04","76.99","0.04","75.35","0.04","700.8","1.2","293","","293","","","","","","","","","5","P -1","-P 1","2","murai-sp3-B-F","[N-(9-Borabicyclo[3.3.1]non-9-ylmethyl)-5-fluoropyridin-2-yl]-N-methylamine","","- C15 H22 B F N2 -","- C15 H22 B F N2 -","- C30 H44 B2 F2 N4 -","2","1","","Masahito Murai; Tetsuya Omura; Yoichiro Kuninobu; Kazuhiko Takai","Rhenium-catalysed dehydrogenative borylation of primary and secondary C(sp^3^)-H bonds adjacent to a nitrogen atom","Chem.Commun.","2015","51","","4583","","10.1039/C4cc09508A","","","0.71075","MoKα","","","0.1194","","","","0.1989","","","","","","1.218","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116660","18.927","0.003","18.927","0.003","24.693","0.005","90","","90","","120","","7661","2","113.15","","113.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C46 H79 Fe9 N2 O50 -","- C46 H79 Fe9 N2 O50 -","- C138 H237 Fe27 N6 O150 -","3","0.5","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Jian Xu; Ze Chang; Xian-He Bu","A three dimensional magnetically frustrated metal-organic framework via the vertices augmentation of underlying net","Chem.Commun.","2015","51","","4627","","10.1039/C4cc09547B","","","0.71073","MoKα","","0.0545","0.0518","","","0.1448","0.1474","","","","","","1.089","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116661","10.5611","0.0003","15.5632","0.0005","22.4083","0.0007","90","","90","","90","","3683.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N O -","- C1.94595 N0.108108 O0.540541 -","- C144 N8 O40 -","74","18.5","","Pei-Qiang Huang; Su-Yu Huang; Long-Hui Gao; Zhong-Yi Mao; Zong Chang; Ai-E Wang","Enantioselective total synthesis of (+)-methoxystemofoline and (+)-isomethoxystemofoline","Chem.Commun.","2015","51","","4576","","10.1039/C4cc09598G","","","0.71073","MoKα","","0.1112","0.095","","","0.2493","0.2618","","","","","","1.02","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116662","12.2658","0.001","16.7325","0.0013","20.375","0.0016","99.254","0.001","107.15","0.001","107.882","0.001","3654.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H110 Li2 O2 Pb2 Si4 -","- C70 H110 Li2 O2 Pb2 Si4 -","- C140 H220 Li4 O4 Pb4 Si8 -","2","1","","Masaichi Saito; Marisa Nakada; Takuya Kuwabara; Mao Minoura","A reversible two-electron redox system involving a divalent lead species","Chem.Commun.","2015","51","","4674","","10.1039/C4cc09856K","","","0.71073","MoKα","","0.0444","0.0301","","","0.0675","0.0738","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116663","12.4117","0.0013","12.4449","0.0015","13.7628","0.0016","82.874","0.002","67.352","0.002","75.447","0.003","1898.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Li2 O2 Pb Si2 -","- C36 H56 Li2 O2 Pb Si2 -","- C72 H112 Li4 O4 Pb2 Si4 -","2","1","","Masaichi Saito; Marisa Nakada; Takuya Kuwabara; Mao Minoura","A reversible two-electron redox system involving a divalent lead species","Chem.Commun.","2015","51","","4674","","10.1039/C4cc09856K","","","0.71073","MoKα","","0.0473","0.0354","","","0.078","0.0829","","","","","","1.034","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116664","14.3451","0.0014","5.6024","0.0004","19.171","0.002","90","","110.01","0.011","90","","1447.7","0.3","100","0.19","100","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Xiang-Wei Liu; Jiang-Ling Shi; Jiang-Bo Wei; Chao Yang; Jia-Xuan Yan; Kun Peng; Le Dai; Chen-Guang Li; Bi-Qin Wang; Zhang-Jie Shi","Diversified syntheses of multifunctionalized thiazole derivatives via regioselective and programmed C-H activation","Chem.Commun.","2015","51","","4599","","10.1039/C4cc10419F","","","0.7107","MoKα","","0.0741","0.0493","","","0.1007","0.1152","","","","","","1.045","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116665","3.7038","0.0002","3.7038","0.0002","8.8852","0.0011","90","","90","","90","","121.888","0.018","293","","293","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe1.172 H Li0.828 O S -","- Fe1.172 H Li0.828 O S -","- Fe2.344 H2 Li1.656 O2 S2 -","2","0.125","","U. Pachmayr; D. Johrendt","[(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1)","Chem.Commun.","2015","51","","4689","","10.1039/C5cc00038F","","x-ray","0.71073","MoKα","","0.0336","0.0209","","","0.0419","0.0444","","","","1.31","1.31","1.21","","","","has coordinates","201220","2020-10-21","18:00:00",""
"7116666","27.159","0.004","13.925","0.002","41.043","0.005","90","","112.375","0.008","90","","14353","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148 H96 Mn6 N20 O18 -","- C148 H96 Mn6 N20 O18 -","- C592 H384 Mn24 N80 O72 -","4","1","","L. A. Barrios; J. Salinas-Uber; O. Roubeau; S. J. Teat; G. Aromi","Molecular self-recognition: a chiral [Mn(II)6] wheel via donor-acceptor pi^...^pi contacts and H-bonds","Chem.Commun.","2015","51","","4631","","10.1039/C5cc00142K","","","0.7749","synchrotron","","0.1238","0.1132","","","0.2767","0.2829","","","","","","1.095","","","","has coordinates,has disorder","180280","2020-10-21","18:00:00",""
"7116667","14.623","0.003","16.641","0.004","18.326","0.004","90","","101.777","0.003","90","","4365.6","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H62 N6 O3 -","- C49 H62 N6 O3 -","- C196 H248 N24 O12 -","4","1","","L. A. Barrios; J. Salinas-Uber; O. Roubeau; S. J. Teat; G. Aromi","Molecular self-recognition: a chiral [Mn(II)6] wheel via donor-acceptor pi^...^pi contacts and H-bonds","Chem.Commun.","2015","51","","4631","","10.1039/C5cc00142K","","","0.7749","synchrotron","","0.0659","0.0483","","","0.1212","0.1323","","","","","","1.034","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116668","13.7114","0.0007","19.2562","0.0011","25.0769","0.0013","90","","90","","90","","6621","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H96 O Si4 -","- C72 H96 O Si4 -","- C288 H384 O4 Si16 -","4","1","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71073","","","0.0455","0.0388","","","0.087","0.0908","","","","","","1.027","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116669","13.426","0.002","18.425","0.003","28.086","0.005","90","","94.327","0.003","90","","6928","2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H98 O2 Si4 -","- C72 H98 O2 Si4 -","- C288 H392 O8 Si16 -","4","1","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71073","MoKα","","0.1378","0.0833","","","0.1803","0.208","","","","","","1.023","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116670","13.31","0.0005","29.8304","0.001","19.4965","0.0006","90","","93.59","0.002","90","","7725.8","0.5","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67.2 H91.2 N1.6 O2.4 Si3.2 -","- C67.2 H91.2 N1.6 O2.4 Si3.2 -","- C336 H456 N8 O12 Si16 -","5","1.25","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71075","MoKα","","0.0757","0.0712","","","0.1909","0.1961","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116671","19.768","0.003","21.986","0.004","16.67","0.003","90","","111.807","0.003","90","","6727","2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H96 O Si4 -","- C72 H96 O Si4 -","- C288 H384 O4 Si16 -","4","1","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71073","MoKα","","0.1494","0.0886","","","0.2284","0.2738","","","","","","1.046","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116672","13.171","0.003","14.918","0.003","17.544","0.003","85.743","0.006","79.779","0.007","84.496","0.007","3371","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 O2 Si4 -","- C72 H98 O2 Si4 -","- C144 H196 O4 Si8 -","2","1","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71075","MoKα","","0.1155","0.0845","","","0.2493","0.2661","","","","","","1.087","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116688","12.6476","0.0003","11.7959","0.0003","18.6459","0.0004","90","","102.933","0.002","90","","2711.21","0.11","152.95","0.1","152.95","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl2 N P Ru S -","- C29 Cl2 N P Ru S -","- C116 Cl8 N4 P4 Ru4 S4 -","4","1","","Zhang, Hui-Jun; Lin, Weidong; Wu, Zhengjian; Ruan, Wenqing; Wen, Ting-Bin","Silver-mediated direct phosphorylation of benzothiazoles and thiazoles with diarylphosphine oxides.","Chemical communications (Cambridge, England)","2015","51","16","3450","3453","10.1039/c4cc10017d","","","1.54184","CuKα","","0.045","0.0427","","","0.1198","0.1211","","","","","","1.55","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116689","10.4363","0.0004","13.1058","0.0005","20.7087","0.0008","90","","96.816","0.003","90","","2812.44","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N O P S -","- C15 H12 N O P S -","- C120 H96 N8 O8 P8 S8 -","8","1","","Zhang, Hui-Jun; Lin, Weidong; Wu, Zhengjian; Ruan, Wenqing; Wen, Ting-Bin","Silver-mediated direct phosphorylation of benzothiazoles and thiazoles with diarylphosphine oxides.","Chemical communications (Cambridge, England)","2015","51","16","3450","3453","10.1039/c4cc10017d","","","0.71073","MoKα","","0.046","0.0397","","","0.0993","0.1026","","","","","","1.027","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116702","11.361","0.005","15.532","0.005","16.269","0.005","90","0.005","94.661","0.005","90","0.005","2861.3","1.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N4 O8 Zn -","- C27 H22 N4 O8 Zn -","- C108 H88 N16 O32 Zn4 -","4","1","","Bappaditya Gole; Udishnu Sanyal; Partha Sarathi Mukherjee","A smart approach to achieve an exceptionally high loading of metal nanoparticles supported by functionalized extended frameworks for efficient catalysis","Chem.Commun.","2015","51","","4872","","10.1039/C4cc09228G","","","0.71073","MoKα","","0.0765","0.0607","","","0.1745","0.1913","","","","","","0.909","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116703","29.971","0.008","16.271","0.004","15.804","0.004","90","","115.749","0.007","90","","6942","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 N2 O5 Zn -","- C23 H14 N2 O5 Zn -","- C184 H112 N16 O40 Zn8 -","8","1","","Bappaditya Gole; Udishnu Sanyal; Partha Sarathi Mukherjee","A smart approach to achieve an exceptionally high loading of metal nanoparticles supported by functionalized extended frameworks for efficient catalysis","Chem.Commun.","2015","51","","4872","","10.1039/C4cc09228G","","","0.71073","MoKα","","0.1319","0.1051","","","0.3014","0.3192","","","","","","1.215","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116706","9.491","0.0004","9.5574","0.0003","10.9648","0.0004","91.766","0.003","93.926","0.003","97.631","0.003","982.69","0.06","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C50 H48 N4 O2 -","2","1","","Subban Kathiravan; Shishir Ghosh; Graeme Hogarth; Ian A. Nicholls","Copper catalysed amidation of aryl halides through chelation assistance","Chem.Commun.","2015","51","","4834","","10.1039/C4cc09940K","","","1.54184","CuKα","","0.0431","0.0402","","","0.1047","0.1069","","","","","","1.061","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116707","16.8737","0.0003","9.68667","0.00017","10.28958","0.00019","90","","96.9165","0.0017","90","","1669.59","0.05","150.02","0.1","150.02","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Subban Kathiravan; Shishir Ghosh; Graeme Hogarth; Ian A. Nicholls","Copper catalysed amidation of aryl halides through chelation assistance","Chem.Commun.","2015","51","","4834","","10.1039/C4cc09940K","","","1.54184","CuKα","","0.0484","0.0443","","","0.1169","0.1232","","","","","","1.0519","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116708","11.8497","0.001","12.2144","0.0009","16.718","0.0014","90","","91.591","0.002","90","","2418.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ir(Cl)(cod)(BAC)]","Chloro-(1,5-cyclooctadiene)-[bis(diisopropylamino)cyclopropenylidene] iridium","","- C23 H40 Cl Ir N2 -","- C23 H40 Cl Ir N2 -","- C92 H160 Cl4 Ir4 N8 -","4","1","","Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin","A simple access to transition metal cyclopropenylidene complexes","Chem.Commun.","2015","51","","4778","","10.1039/C4cc10375K","","","0.71075","MoKα","","0.0156","0.0139","","","0.0361","0.0367","","","","","","1.045","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116709","6.043","0.003","18.944","0.007","15.635","0.006","90","","100.45","0.011","90","","1760.2","1.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(Cl)(BAC)]","bis(diisopropylamino)cyclopropenylidene copper chloride","","- C15 H28 Cl Cu N2 -","- C15 H28 Cl Cu N2 -","- C60 H112 Cl4 Cu4 N8 -","4","1","","Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin","A simple access to transition metal cyclopropenylidene complexes","Chem.Commun.","2015","51","","4778","","10.1039/C4cc10375K","","","0.71075","MoKα","","","0.0763","","","","0.2005","","","","","","1.119","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116710","8.6743","0.001","15.139","0.0018","15.947","0.002","86.794","0.007","85.946","0.007","80.765","0.006","2059.7","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","[PdCl2(BAC)]2","dichloro-[bis(diisopropylamino)cyclopropenylidene] palladium dimer","","- C30.5 H57 Cl5 N4 Pd2 -","- C30.5 H57 Cl5 N4 Pd2 -","- C61 H114 Cl10 N8 Pd4 -","2","1","","Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin","A simple access to transition metal cyclopropenylidene complexes","Chem.Commun.","2015","51","","4778","","10.1039/C4cc10375K","","","0.71075","MoKα","","0.0645","0.0444","","","0.113","0.1218","","","","","","1.008","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116711","11.3202","0.0007","12.8913","0.001","12.5373","0.001","90","","90.2151","0.0019","90","","1829.6","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Au(Cl)(BAC)]","bis(diisopropylamino)cyclopropenylidene gold chloride","","- C15 H28 Au Cl N2 -","- C15 H28 Au Cl N2 -","- C60 H112 Au4 Cl4 N8 -","4","1","","Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin","A simple access to transition metal cyclopropenylidene complexes","Chem.Commun.","2015","51","","4778","","10.1039/C4cc10375K","","","0.71075","MoKα","","","0.0134","","","","0.0343","","","","","","1.072","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116712","13.2941","0.0006","9.5096","0.0005","14.5324","0.0007","90","","93.61","0.002","90","","1833.56","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Au(BAC)2][OTf]","","- C31 H56 Au F3 N4 O3 S -","- C31 H56 Au F3 N4 O3 S -","- C62 H112 Au2 F6 N8 O6 S2 -","2","0.5","","Yannick D. Bidal; Mathieu Lesieur; Mohand Melaimi; David B. Cordes; Alexandra M. Z. Slawin; Guy Bertrand; Catherine S. J. Cazin","A simple access to transition metal cyclopropenylidene complexes","Chem.Commun.","2015","51","","4778","","10.1039/C4cc10375K","","x-ray","0.71073","MoKα","","0.0441","0.0377","","","0.0961","0.0993","","","","","","1.201","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116713","17.4212","0.0009","12.5545","0.0007","14.9217","0.0008","90","","101.047","0.002","90","","3203.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na-Cr-OA","","- C6 H6 Fe Na3 O17 -","- C6 H6 Fe Na3 O17 -","- C48 H48 Fe8 Na24 O136 -","8","1","","Qingchun Ge; Tai-Shung Chung","Oxalic acid complexes: promising draw solutes for forward osmosis (FO) in protein enrichment","Chem.Commun.","2015","51","","4854","","10.1039/C5cc00168D","","","0.71073","MoKα","","0.0373","0.0367","","","0.1137","0.1144","","","","","","1.188","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116714","17.2551","0.0019","12.4639","0.0014","15.1228","0.0016","90","","100.454","0.002","90","","3198.4","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cr Na3 O17 -","- C6 H10 Cr Na3 O17 -","- C48 H80 Cr8 Na24 O136 -","8","1","","Qingchun Ge; Tai-Shung Chung","Oxalic acid complexes: promising draw solutes for forward osmosis (FO) in protein enrichment","Chem.Commun.","2015","51","","4854","","10.1039/C5cc00168D","","","0.71073","MoKα","","0.0407","0.0361","","","0.0863","0.0883","","","","","","1.111","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116715","7.4869","0.0001","19.718","0.0003","11.2222","0.0002","90","","90","","90","","1656.7","0.04","173","0.14","173","0.14","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Lingzhi Li; Ming Chen; Haoke Zhang; Han Nie; Jing Zhi Sun; Anjun Qin; Ben Zhong Tang","Influence of the number and substitution position of phenyl groups on the aggregation-enhanced emission of benzene-cored luminogens","Chem.Commun.","2015","51","","4830","","10.1039/C5cc00241A","","x-ray","1.5418","CuKα","","0.0288","0.0284","","","0.0726","0.073","","","","","","1.005","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116716","10.529","0.001","11.655","0.001","12.596","0.001","90","","90","","90","","1545.7","0.2","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,Rp)/(S,Sp)-1-([2.2]paracyclophane-4-yl)-N,N-(dimethyl)-ethylamine","","- C20 H25 N -","- C20 H25 N -","- C80 H100 N4 -","4","1","","Mirja Enders; Christian J. Friedmann; Philipp N. Plessow; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Brase","Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes ‒ a methyl group matters","Chem.Commun.","2015","51","","4793","","10.1039/C5cc00492F","","","0.71073","MoKα","","0.038","0.0349","","","0.0865","0.0888","","","","","","1.045","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116717","7.535","0.001","14.973","0.002","18.844","0.002","90","","95.77","0.01","90","","2115.2","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Phenylsulfanyl-[2.2]paracyclophane-16-yl)-N,N-(dimethyl)-ethylamine","","- C26 H29 N S -","- C26 H29 N S -","- C104 H116 N4 S4 -","4","1","","Mirja Enders; Christian J. Friedmann; Philipp N. Plessow; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Brase","Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes ‒ a methyl group matters","Chem.Commun.","2015","51","","4793","","10.1039/C5cc00492F","","","0.71073","MoKα","","0.0666","0.051","","","0.1164","0.1258","","","","","","1.061","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116718","8.104","0.001","8.358","0.001","24.688","0.003","90","","96.2","0.01","90","","1662.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(rac)-5-N,N-dimethylaminomethyl-4-Methylsulfanyl-[2.2]paracyclophane","","- C20 H25 N S -","- C20 H25 N S -","- C80 H100 N4 S4 -","4","1","","Mirja Enders; Christian J. Friedmann; Philipp N. Plessow; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Brase","Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes ‒ a methyl group matters","Chem.Commun.","2015","51","","4793","","10.1039/C5cc00492F","","","0.71073","MoKα","","0.0578","0.0444","","","0.1007","0.107","","","","","","1.062","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116719","7.812","0.001","11.736","0.001","18.668","0.002","90","","96.49","0.01","90","","1700.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Rp,R)/(Sp,S)-5-N,N-dimethylaminomethyl-4-Methylsulfanyl-[2.2]paracyclophane","","- C20 H25 N S -","- C20 H25 N S -","- C80 H100 N4 S4 -","4","1","","Mirja Enders; Christian J. Friedmann; Philipp N. Plessow; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Brase","Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes ‒ a methyl group matters","Chem.Commun.","2015","51","","4793","","10.1039/C5cc00492F","","","0.71073","MoKα","","0.0688","0.0455","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116720","10.2761","0.0002","15.204","0.0003","15.2549","0.0003","90","","96.857","0.001","90","","2366.34","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,7-bis(4-methoxycarboxyphenyl)[2.2]paracyclophane","","- C32 H28 O4 -","- C32 H28 O4 -","- C128 H112 O16 -","4","1","","Murat Cakici; Zhi-Gang Gu; Martin Nieger; Jochen Burck; Lars Heinke; Stefan Brase","Planar-chiral building blocks for metal-organic frameworks","Chem.Commun.","2015","51","","4796","","10.1039/C5cc00694E","","","0.71073","MoKα","","0.0485","0.0394","","","0.1005","0.1068","","","","","","1.049","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116721","11.987","0.003","12.551","0.003","14.454","0.004","90","","90","","90","","2174.6","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0498","0.045","","","0.1114","0.1142","","","","","","1.123","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116722","12.4798","0.0016","12.7207","0.0017","14.3452","0.0019","90","","90","","90","","2277.3","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O7 -","- C24 H34 O7 -","- C96 H136 O28 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0357","0.0339","","","0.0931","0.0949","","","","","","1.053","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116723","18.5724","0.0009","19.0815","0.001","33.6472","0.0016","90","","101.101","0.001","90","","11701.1","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121 H149 N6 O2 P4 Y2 -","- C121 H149 N6 O2 P4 Y2 -","- C484 H596 N24 O8 P16 Y8 -","4","1","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.156","0.0774","","","0.2083","0.2509","","","","","","1.008","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116724","13.164","0.002","18.573","0.003","19.615","0.003","90","","90","","90","","4795.8","1.3","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C48 H56 Lu N3 P2 -","- C48 H56 Lu N3 P2 -","- C192 H224 Lu4 N12 P8 -","4","0.5","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.1568","0.1179","","","0.2619","0.2889","","","","","","1.053","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116725","13.1802","0.0019","18.73","0.003","19.619","0.002","90","","90","","90","","4843.2","1.2","173","2","173","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C108 H112 N6 P4 Y2 -","- C108 H112 N6 P4 Y2 -","- C216 H224 N12 P8 Y4 -","2","0.25","","Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei","Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides","Chemical Communications (Cambridge, United Kingdom)","2015","51","24","5063","5065","10.1039/c4cc07262f","","","0.71073","MoKα","","0.2187","0.1346","","","0.2963","0.3451","","","","","","1.038","","","","has coordinates","210898","2020-10-21","18:00:00",""
"7116729","10.7482","0.0017","12.23","0.002","16.366","0.003","95.11","0.003","96.968","0.003","102.936","0.003","2066.2","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48.93 H35.72 Cu2 N2 O8.93 -","- C48.931 H35.724 Cu2 N2 O8.931 -","- C97.862 H71.448 Cu4 N4 O17.862 -","2","1","","Yuichi Takasaki; Satoshi Takamizawa","Reversible crystal deformation of a single-crystal host of copper(II) 1-naphthoate-pyrazine through crystal phase transition induced by methanol vapor sorption","Chem.Commun.","2015","51","","5024","","10.1039/C4cc09948F","","","0.71073","MoKα","","0.0701","0.058","","","0.1598","0.1699","","","","","","1.062","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116730","10.4745","0.0011","11.6064","0.0012","17.037","0.0017","97.583","0.002","104.918","0.002","90.081","0.002","1982.5","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cu2 N2 O8 -","- C48 H32 Cu2 N2 O8 -","- C96 H64 Cu4 N4 O16 -","2","1","","Yuichi Takasaki; Satoshi Takamizawa","Reversible crystal deformation of a single-crystal host of copper(II) 1-naphthoate-pyrazine through crystal phase transition induced by methanol vapor sorption","Chem.Commun.","2015","51","","5024","","10.1039/C4cc09948F","","","0.71073","MoKα","","0.0623","0.0429","","","0.1139","0.1264","","","","","","1.036","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116731","10.6065","0.0008","11.6485","0.0009","17.4513","0.0014","80.612","0.002","75.215","0.001","89.821","0.002","2055.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cu2 N2 O8 -","- C48 H32 Cu2 N2 O8 -","- C96 H64 Cu4 N4 O16 -","2","1","","Yuichi Takasaki; Satoshi Takamizawa","Reversible crystal deformation of a single-crystal host of copper(II) 1-naphthoate-pyrazine through crystal phase transition induced by methanol vapor sorption","Chem.Commun.","2015","51","","5024","","10.1039/C4cc09948F","","","0.71073","MoKα","","0.0882","0.0509","","","0.1365","0.1625","","","","","","1.018","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116732","13.1191","0.0003","13.1191","0.0003","16.014","0.0005","90","","90","","120","","2386.92","0.11","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","[NaCo3(IA)6](NO3)","","- C36 H24 Co3 N13 Na O15.25 -","- C36 H24 Co3 N13 Na O15.25 -","- C72 H48 Co6 N26 Na2 O30.5 -","2","0.333333","","Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang","A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction","Chem.Commun.","2015","51","","5108","","10.1039/C5cc00003C","","","1.54178","CuKα","","0.0496","0.0454","","","0.1147","0.1185","","","","","","1.115","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116733","13.1177","0.0004","13.1177","0.0004","16.005","0.0004","90","","90","","120","","2385.07","0.12","293","2","293","2","","","","","","","","6","P 63","P 6c","173","","","","- C36 H27 Co3 N13 Na O15 -","- C36 H27 Co3 N13 Na O15 -","- C72 H54 Co6 N26 Na2 O30 -","2","0.333333","","Ru-Xin Yao; Xin Cui; Jun Wang; Xian-Ming Zhang","A homochiral magnet based on D3 symmetric [(NaO3)Co3] clusters: from spontaneous resolution to absolute chiral induction","Chem.Commun.","2015","51","","5108","","10.1039/C5cc00003C","","","1.54178","CuKα","","0.0489","0.0456","","","0.1211","0.124","","","","","","1.123","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116734","9.5267","0.0004","9.9704","0.0005","10.1727","0.0005","81.041","0.004","68.165","0.004","83.636","0.004","884.51","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 B K N3 -","- C6 H5 B K N3 -","- C24 H20 B4 K4 N12 -","4","2","","Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze","Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile","Chem.Commun.","2015","51","","4989","","10.1039/C5cc00555H","","","0.71073","MoKα","","0.0431","0.0322","","","0.0727","0.0793","","","","","","1.029","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116735","7.5693","0.0015","25.062","0.005","22.116","0.004","90","","94.3","0.03","90","","4183.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B4 K4 N12 O2 -","- C28 H36 B4 K4 N12 O2 -","- C112 H144 B16 K16 N48 O8 -","4","1","","Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze","Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile","Chem.Commun.","2015","51","","4989","","10.1039/C5cc00555H","","","0.71073","MoKα","","0.0963","0.0626","","","0.1446","0.1591","","","","","","0.906","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116736","11.894","0.002","12.782","0.003","7.5458","0.0015","90","","103.98","0.03","90","","1113.2","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 B F5 K N3 -","- C9 B F5 K N3 -","- C36 B4 F20 K4 N12 -","4","1","","Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze","Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile","Chem.Commun.","2015","51","","4989","","10.1039/C5cc00555H","","","0.71073","MoKα","","0.035","0.0326","","","0.0815","0.0826","","","","","","1.017","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116737","9.5044","0.0012","9.976","0.0013","10.1345","0.0013","81.033","0.003","68.217","0.003","83.514","0.003","879.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 B K N3 -","- C6 H5 B K N3 -","- C24 H20 B4 K4 N12 -","4","2","","Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze","Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile","Chem.Commun.","2015","51","","4989","","10.1039/C5cc00555H","","","0.71073","MoKα","","0.0296","0.0273","","","0.0703","0.0713","","","","","","1.054","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116738","9.8586","0.0005","13.1307","0.0006","12.1811","0.0006","90","","93.991","0.002","90","","1573.02","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 B2 K2 N6 O -","- C9 H8 B2 K2 N6 O -","- C36 H32 B8 K8 N24 O4 -","4","1","","Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze","Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile","Chem.Commun.","2015","51","","4989","","10.1039/C5cc00555H","","","0.71073","MoKα","","0.0228","0.0201","","","0.0536","0.0549","","","","","","1.05","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116739","15.777","0.004","10.03","0.003","17.685","0.005","90","","100.09","0.004","90","","2755.3","1.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26.5 H36.5 Br2 Fe N3.5 O1.5 -","- C26.5 H36.5 Br2 Fe N3.5 O1.5 -","- C106 H146 Br8 Fe4 N14 O6 -","4","2","","Ziqing Zuo; Lei Zhang; Xuebing Leng; Zheng Huang","Iron-catalyzed asymmetric hydrosilylation of ketones","Chem.Commun.","2015","51","","5073","","10.1039/C5cc00612K","","","0.71073","MoKα","","0.1988","0.0715","","","0.1144","0.1556","","","","","","0.973","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7116740","33.2315","0.0004","33.2315","0.0004","18.2906","0.0003","90","","90","","90","","20198.9","0.5","130","","130","","","","","","","","","6","P 4","P 4","75","","","","- C47 H45 Br2 Fe N3 O -","- C47 H45 Br2 Fe N3 O -","- C752 H720 Br32 Fe16 N48 O16 -","16","4","","Ziqing Zuo; Lei Zhang; Xuebing Leng; Zheng Huang","Iron-catalyzed asymmetric hydrosilylation of ketones","Chem.Commun.","2015","51","","5073","","10.1039/C5cc00612K","","","1.54178","CuKα","","0.0978","0.0714","","","0.1873","0.2029","","","","","","1.081","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116741","21.9507","0.001","6.4172","0.0002","11.0598","0.0005","90","","103.407","0.004","90","","1515.45","0.11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 B10 N2 Na2 O17 -","- C2 H10 B10 N2 Na2 O17 -","- C8 H40 B40 N8 Na8 O68 -","4","0.5","","Jun-Hua Wang; Qi Wei; Jian-Wen Cheng; Huan He; Bai-Feng Yang; Guo-Yu Yang","Na2B10O17^.^H2en: a three-dimensional open-framework layered borate co-templated by inorganic cations and organic amines","Chem.Commun.","2015","51","","5066","","10.1039/C5cc00800J","","","0.71073","MoKα","","0.0391","0.0326","","","0.0802","0.0828","","","","","","1.075","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116742","8.4996","0.0003","14.4218","0.0007","26.0595","0.0011","90","","97.616","0.002","90","","3166.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Iron(III)","Iron(III) 2-[(2-Hydroxynaphthalen-1-ylmethylene)amino]-N-(1-phenethyl)benzamide tetrahydrofuran solvate","","- C32 H33 Fe N4 O9.5 -","- C32 H33 Fe N4 O9.5 -","- C128 H132 Fe4 N16 O38 -","4","2","","R. Gautam; E. A. Akam; A. V. Astashkin; J. J. Loughrey; E. Tomat","Sirtuin inhibitor sirtinol is an intracellular iron chelator","Chem.Commun.","2015","51","","5104","","10.1039/C5cc00829H","","","0.71073","MoKα","","0.067","0.0404","","","0.0826","0.0924","","","","","","1.017","","","","has coordinates,has disorder","192220","2020-10-21","18:00:00",""
"7116743","32.759","0.005","32.759","0.005","29.376","0.006","90","","90","","90","","31525","9","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C69 H118 N12 Na7 -","- C69 H118 N12 Na7 -","- C1104 H1888 N192 Na112 -","16","1","","Andreas Stascha","A pyrazolate-stabilized sodium hydride complex","Chem.Commun.","2015","51","","5056","","10.1039/C5cc00996K","","","0.7108","synchrotron","","0.0547","0.0539","","","0.1389","0.1398","","","","","","1.065","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116744","15.184","0.003","19.831","0.004","26.107","0.005","90","","100.11","0.03","90","","7739","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12.17 H20.33 N2 Na -","- C12.1667 H20.3333 N2 Na -","- C292 H488 N48 Na24 -","24","6","","Andreas Stascha","A pyrazolate-stabilized sodium hydride complex","Chem.Commun.","2015","51","","5056","","10.1039/C5cc00996K","","","0.7108","synchrotron","","0.1179","0.0675","","","0.1635","0.1923","","","","","","1.019","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116745","16.1748","0.0007","17.1245","0.0008","17.3765","0.0008","61.699","0.002","79.187","0.002","79.168","0.002","4135.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chain 3","","- C56 H38 Cu2 N3 O11 -","- C56 H38 Cu2 N3 O11 -","- C112 H76 Cu4 N6 O22 -","2","1","","Valentina Brega; Matthias Zeller; Yufan He; H. Peter Lu; Jeremy K. Klosterman","Multi-responsive metal-organic lantern cages in solution","Chem.Commun.","2015","51","","5077","","10.1039/C5cc00698H","","","1.54178","CuKα","","0.1415","0.1081","","","0.2833","0.3227","","","","","","1.045","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116746","18.2648","0.0011","27.0741","0.0017","16.6959","0.0009","90","","110.078","0.002","90","","7754.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Decyloxycage","Cage 2","","- C150.55 H187.34 Cu4 N5.82 O34.04 -","- C150.546 H187.34 Cu4 N5.824 O34.036 -","- C301.092 H374.68 Cu8 N11.648 O68.072 -","2","0.5","","Valentina Brega; Matthias Zeller; Yufan He; H. Peter Lu; Jeremy K. Klosterman","Multi-responsive metal-organic lantern cages in solution","Chem.Commun.","2015","51","","5077","","10.1039/C5cc00698H","","","1.54178","CuKα","","0.0587","0.0511","","","0.1373","0.1459","","","","","","1.046","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116747","22.7256","0.0006","27.998","0.0006","23.4326","0.0005","90","","91.88","0.001","90","","14901.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MeOCage 1'","Cage1'","","- C136.45 H149.05 Cu4 N16.15 O34.15 -","- C136.45 H149.05 Cu4 N16.15 O34.15 -","- C545.8 H596.2 Cu16 N64.6 O136.6 -","4","0.5","","Valentina Brega; Matthias Zeller; Yufan He; H. Peter Lu; Jeremy K. Klosterman","Multi-responsive metal-organic lantern cages in solution","Chem.Commun.","2015","51","","5077","","10.1039/C5cc00698H","","","1.54178","CuKα","","0.0611","0.0584","","","0.155","0.1574","","","","","","1.066","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116748","14.935","0.005","16.106","0.006","16.995","0.006","105.989","0.004","109.453","0.004","104.285","0.005","3437","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MeOCage","Cage1","","- C108 H84 Cu4 N4 O24.61 S4 -","- C108 H84 Cu4 N4 O24.564 S4 -","- C108 H84 Cu4 N4 O24.564 S4 -","1","0.5","","Valentina Brega; Matthias Zeller; Yufan He; H. Peter Lu; Jeremy K. Klosterman","Multi-responsive metal-organic lantern cages in solution","Chem.Commun.","2015","51","","5077","","10.1039/C5cc00698H","","","0.71073","MoKα","","0.1125","0.0735","","","0.2073","0.2218","","","","","","1.047","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116749","10.5102","0.0003","18.8729","0.0006","23.8796","0.0006","90","","90","","90","","4736.7","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H44 Li N5 -","- C21 H44 Li N5 -","- C168 H352 Li8 N40 -","8","1","","Stuart D. Robertson; Alan R. Kennedy; John J. Liggat; Robert E. Mulvey","Facile synthesis of a genuinely alkane-soluble but isolable lithium hydride transfer reagent","Chem.Commun.","2015","51","","5452","","10.1039/C4cc06421F","","","0.71073","MoKα","","0.0855","0.0543","","","0.1035","0.1156","","","","","","1.052","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116750","10.3097","0.0002","15.5055","0.0003","32.3133","0.0007","90","","90","","90","","5165.51","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 B O2 Zr -","- C30 H31 B O2 Zr -","- C240 H248 B8 O16 Zr8 -","8","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","1.54178","CuKα","","0.0721","0.0611","","","0.1457","0.1539","","","","","","1.153","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116751","8.2167","0.0008","20.788","0.002","22.069","0.002","90","","90","","90","","3769.6","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B O2 Te -","- C20 H21 B O2 Te -","- C160 H168 B8 O16 Te8 -","8","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","0.71073","MoKα","","0.0365","0.0341","","","0.0949","0.0969","","","","","","1.044","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116752","5.7439","0.0004","11.1587","0.0007","12.0325","0.0008","80.1921","0.0007","87.5978","0.0007","79.981","0.0006","748.3","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2,3-diphenyl-1-benzotellurophene","","- C20 H14 Te -","- C20 H14 Te -","- C40 H28 Te2 -","2","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","0.71073","MoKα","","0.0148","0.0146","","","0.0395","0.0396","","","","","","1.127","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116753","10.6313","0.0006","21.4729","0.0012","13.1595","0.0007","90","","113.042","0.0006","90","","2764.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 B2 O4 Te -","- C28 H34 B2 O4 Te -","- C112 H136 B8 O16 Te4 -","4","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","0.71073","MoKα","","0.0511","0.0371","","","0.0832","0.0896","","","","","","1.039","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116754","7.0792","0.0011","12.1454","0.0019","16.953","0.003","75.2698","0.0017","82.0304","0.0019","80.2126","0.0019","1382.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 B2 O4 Te -","- C28 H34 B2 O4 Te -","- C56 H68 B4 O8 Te2 -","2","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","0.71073","MoKα","","0.0353","0.0313","","","0.0776","0.0796","","","","","","1.056","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116755","15.4006","0.0003","9.5362","0.0002","28.09","0.002","90","","90.988","0.006","90","","4124.8","0.3","240","2","240","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 B Cu F5 N4 O3 -","- C18 H18 B Cu F5 N4 O3 -","- C144 H144 B8 Cu8 F40 N32 O24 -","8","1","","Cameron M. Moore; Nathaniel K. Szymczak","Redox-induced fluoride ligand dissociation stabilized by intramolecular hydrogen bonding","Chem.Commun.","2015","51","","5490","","10.1039/C4cc06832G","","","1.54178","CuKα","","0.0631","0.0559","","","0.1636","0.1712","","","","","","1.152","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116756","8.793","0.0002","14.8014","0.0003","13.3814","0.0009","90","","93.525","0.007","90","","1738.28","0.13","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu F N4 O3 -","- C18 H18 Cu F N4 O3 -","- C72 H72 Cu4 F4 N16 O12 -","4","1","","Cameron M. Moore; Nathaniel K. Szymczak","Redox-induced fluoride ligand dissociation stabilized by intramolecular hydrogen bonding","Chem.Commun.","2015","51","","5490","","10.1039/C4cc06832G","","","1.54178","CuKα","","0.0539","0.0533","","","0.1413","0.1415","","","","","","1.276","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116757","9.89","0.002","7.3","0.0015","32.941","0.007","90","","90","","90","","2378.2","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","","Soumitra Agasti; Upendra Sharma; Togati Naveen; Debabrata Maiti","Orthogonal selectivity with cinnamic acids in 3-substituted benzofuran synthesis through C-H olefination of phenols","Chem.Commun.","2015","51","","5375","","10.1039/C4cc07026G","","","0.71073","MoKα","","0.0838","0.0722","","","0.2655","0.2808","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116758","12.4374","0.0013","19.273","0.0019","15.5445","0.0015","90","","93.373","0.002","90","","3719.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 B2 F15 Li O6 -","- C34 H36 B2 F15 Li O6 -","- C136 H144 B8 F60 Li4 O24 -","4","1","","Junhao Zheng; Yuwen Wang; Zhen Hua Li; Huadong Wang","Application of a nucleophilic boryl complex in the frustrated Lewis pair: activation of H-H, B-H and C[double bond, length as m-dash]C bonds with B(C6F5)3 and boryl-borate lithium","Chem.Commun.","2015","51","","5505","","10.1039/C4cc07658C","","","0.71073","MoKα","","0.1092","0.0523","","","0.1309","0.1625","","","","","","1.003","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116759","8.223","0.001","20.352","0.002","14.3","0.002","90","","105.02","0.007","90","","2311.4","0.5","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-dibenzyl 1-(1-oxo-1-(((prop-2-yn-1-yloxy)carbonyl)amino)propan-2-yl) hydrazine-1,2-dicarboxylate","","- C23 H23 N3 O7 -","- C23 H23 N3 O7 -","- C92 H92 N12 O28 -","4","2","","Audrey Dumoulin; Claudia Lalli; Pascal Retailleau; Geraldine Masson","Catalytic, highly enantioselective, direct amination of enecarbamates","Chem.Commun.","2015","51","","5383","","10.1039/C4cc08052A","","","1.54187","CuKα","","0.1126","0.0655","","","0.1356","0.1916","","","","","","1.095","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116760","15.1947","0.0004","12.6157","0.0003","16.666","0.0004","90","","90","","90","","3194.74","0.14","163","2","163","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Monoanionic Lithium Carbene","","- C25 H48 B11 Li N2 O3 -","- C25 H48 B11 Li N2 O3 -","- C100 H192 B44 Li4 N8 O12 -","4","0.5","","Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo","Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion","Chem.Commun.","2015","51","","5359","","10.1039/C4cc08267B","","","0.71073","MoKα","","0.0667","0.0513","","","0.1426","0.1565","","","","","","1.037","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116761","15.9089","0.0011","26.7369","0.0019","10.561","0.0008","90","","90","","90","","4492.2","0.6","200","2","200","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C34.93 H66.85 B11 Li2 N2 O5.48 -","- C34.928 H66.856 B11 Li2 N2 O5.482 -","- C139.712 H267.424 B44 Li8 N8 O21.928 -","4","1","","Matthew J. Asay; Steven P. Fisher; Sarah E. Lee; Fook S. Tham; Dan Borchardt; Vincent Lavallo","Synthesis of unsymmetrical N-carboranyl NHCs: directing effect of the carborane anion","Chem.Commun.","2015","51","","5359","","10.1039/C4cc08267B","","","0.71073","MoKα","","0.0637","0.0551","","","0.152","0.1624","","","","","","1.054","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116762","11.3743","0.0002","14.0235","0.0002","18.6496","0.0003","90","","90","","90","","2974.75","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C104 H152 N8 O24 S8 -","8","2","","Pablo Barrio; Elsa Rodriguez; Kodai Saito; Santos Fustero; Takahiko Akiyama","Gamma-Silylboronates in the chiral Bronsted acid-catalysed allylboration of aldehydes","Chem.Commun.","2015","51","","5246","","10.1039/C4cc08598A","","x-ray","1.54184","CuKα","","0.0393","0.0386","","","0.1124","0.1139","","","","","","1.06","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116763","13.1912","0.0013","13.5415","0.0014","23.494","0.002","93.278","0.003","103.037","0.003","104.963","0.003","3920.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 F3 Mn N7 O4 S -","- C37 H51 F3 Mn N7 O4 S -","- C148 H204 F12 Mn4 N28 O16 S4 -","4","2","","Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout","Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo","Chem.Commun.","2015","51","","5310","","10.1039/C4cc08603A","","","0.71073","MoKα","","0.1512","0.0973","","","0.2393","0.2761","","","","","","1.059","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116764","23.141","0.003","9.7932","0.0014","22.661","0.003","90","","105.914","0.0018","90","","4938.7","1.2","174","2","174","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H74 K Mn N7 O4 -","- C48 H74 K Mn N7 O4 -","- C192 H296 K4 Mn4 N28 O16 -","4","1","","Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout","Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo","Chem.Commun.","2015","51","","5310","","10.1039/C4cc08603A","","","0.71073","MoKα","","0.0727","0.0493","","","0.1203","0.1338","","","","","","1.028","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116765","9.7762","0.0004","9.2337","0.0004","42.2828","0.0018","90","","90.193","0.003","90","","3816.9","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 Mn N7 O2 -","- C40 H59 Mn N7 O2 -","- C160 H236 Mn4 N28 O8 -","4","1","","Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout","Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo","Chem.Commun.","2015","51","","5310","","10.1039/C4cc08603A","","","1.54178","CuKα","","0.0443","0.037","","","0.0929","0.0964","","","","","","1.04","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116766","10.6932","0.0011","16.2784","0.0017","27.67","0.003","90","","90","","90","","4816.5","0.9","171","2","171","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 F6 Mn N7 O7 S2 -","- C42 H59 F6 Mn N7 O7 S2 -","- C168 H236 F24 Mn4 N28 O28 S8 -","4","1","","Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout","Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo","Chem.Commun.","2015","51","","5310","","10.1039/C4cc08603A","","","0.71073","MoKα","","0.0291","0.0268","","","0.0677","0.0693","","","","","","1.018","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116767","9.1399","0.0015","18.122","0.003","11.5436","0.0019","90","","90","","90","","1912","0.5","90","2","90","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H26 Fe3 N6 Se4 -","- C8 H26 Fe3 N6 Se4 -","- C32 H104 Fe12 N24 Se16 -","4","0.5","","Joshua T. Greenfield; Chongin Pak; Saeed Kamali; Kathleen Lee; Kirill Kovnir","Control over connectivity and magnetism of tetrahedral FeSe2 chains through coordination Fe-amine complexes","Chem.Commun.","2015","51","","5355","","10.1039/C4cc08608B","","","0.71073","MoKα","","0.1054","0.0553","","","0.0876","0.1042","","","","","","1.01","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116768","9.0393","0.0016","10.6303","0.0019","16.641","0.003","90","","102.652","0.003","90","","1560.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Fe3 N4 Se4 -","- C6 H18 Fe3 N4 Se4 -","- C24 H72 Fe12 N16 Se16 -","4","1","","Joshua T. Greenfield; Chongin Pak; Saeed Kamali; Kathleen Lee; Kirill Kovnir","Control over connectivity and magnetism of tetrahedral FeSe2 chains through coordination Fe-amine complexes","Chem.Commun.","2015","51","","5355","","10.1039/C4cc08608B","","","0.71073","MoKα","","0.0586","0.0361","","","0.0678","0.075","","","","","","1.041","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116769","11.5839","0.0013","15.7615","0.0016","32.762","0.003","91.604","0.003","91.02","0.003","101.055","0.003","5866.7","1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 I N O3 -","- C21 H21 I N O3 -","- C252 H252 I12 N12 O36 -","12","6","","K. Ackermann; A. Giannoulis; D. B. Cordes; A. M. Z. Slawin; B. E. Bode","Assessing dimerisation degree and cooperativity in a biomimetic small-molecule model by pulsed EPR","Chem.Commun.","2015","51","","5257","","10.1039/C4cc08656B","","","0.71075","MoKα","","0.0583","0.0267","","","0.0924","0.1042","","","","","","0.868","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116770","36.726","0.011","36.726","0.013","5.6924","0.0019","90","","90","","90","","7678","4","125","","125","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44.5 H36 Cl N4 O3 -","- C44.5 H36 Cl N4 O3 -","- C356 H288 Cl8 N32 O24 -","8","1","","K. Ackermann; A. Giannoulis; D. B. Cordes; A. M. Z. Slawin; B. E. Bode","Assessing dimerisation degree and cooperativity in a biomimetic small-molecule model by pulsed EPR","Chem.Commun.","2015","51","","5257","","10.1039/C4cc08656B","","","1.54187","CuKα","","0.1648","0.1365","","","0.3766","0.4042","","","","","","1.612","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116771","6.2109","0.0008","9.997","0.0013","11.3778","0.0015","97.9088","0.0037","93.7875","0.0037","104.294","0.0036","674.38","0.15","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N2 O23 U2 -","- C14 H30 N2 O23 U2 -","- C14 H30 N2 O23 U2 -","1","0.5","","M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes","Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions","Chem.Commun.","2015","51","","5306","","10.1039/C4cc08657K","","","0.71073","MoKα","","0.023","0.0217","","","0.0555","0.0561","","","","","","1.098","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116772","6.3074","0.0004","10.0063","0.0006","11.992","0.0007","94.6846","0.0018","98.8324","0.0018","104.503","0.0017","718.32","0.08","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 N2 O24 U2 -","- C16 H34 N2 O24 U2 -","- C16 H34 N2 O24 U2 -","1","0.5","","M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes","Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions","Chem.Commun.","2015","51","","5306","","10.1039/C4cc08657K","","","0.71073","MoKα","","0.0269","0.0259","","","0.0626","0.0632","","","","","","1.081","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116773","6.7978","0.0005","9.8815","0.0008","11.7825","0.0009","100.662","0.0023","99.5051","0.0023","91.0417","0.0022","766.15","0.1","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N2 O22 U2 -","- C22 H30 N2 O22 U2 -","- C22 H30 N2 O22 U2 -","1","0.5","","M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes","Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions","Chem.Commun.","2015","51","","5306","","10.1039/C4cc08657K","","","0.71073","MoKα","","0.015","0.0134","","","0.0321","0.0327","","","","","","1.077","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116774","19.987","0.0008","20.5879","0.0008","21.1208","0.0008","68.467","0.0013","64.419","0.0013","67.96","0.0013","7044.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 N12 Na4 O94 U6 -","- C60 H96 N12 Na4 O94 U6 -","- C120 H192 N24 Na8 O188 U12 -","2","1","","M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes","Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions","Chem.Commun.","2015","51","","5306","","10.1039/C4cc08657K","","","0.71073","MoKα","","0.0448","0.0362","","","0.0981","0.1037","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116775","17.4123","0.0005","17.4123","0.0005","17.8443","0.0007","90","","90","","120","","4685.4","0.3","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H27 Mg3 Na5 O81 U9 -","- C36 H27 Mg3 Na5 O81 U9 -","- C72 H54 Mg6 Na10 O162 U18 -","2","0.166667","","M. Basile; D. K. Unruh; K. Gojdas; E. Flores; L. Streicher; T. Z. Forbes","Chemical controls on uranyl citrate speciation and the self-assembly of nanoscale macrocycles and sandwich complexes in aqueous solutions","Chem.Commun.","2015","51","","5306","","10.1039/C4cc08657K","","","0.71073","MoKα","","0.0368","0.0299","","","0.0774","0.0834","","","","","","1.001","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116776","13.61157","0.00019","16.5891","0.0002","26.4952","0.0004","90","","91.6657","0.0013","90","","5980.19","0.14","150.03","0.18","150.03","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H55 N2 Np O7 P5 -","- C66 H55 N2 Np O7 P5 -","- C264 H220 N8 Np4 O28 P20 -","4","1","","Sean D. Woodall; Adam N. Swinburne; Nidhu lal Banik; Andrew Kerridge; Poppy Di Pietro; Christian Adam; Peter Kaden; Louise S. Natrajan","Neptunyl(VI) centred visible LMCT emission directly observable in the presence of uranyl(VI)","Chem.Commun.","2015","51","","5402","","10.1039/C4cc08718F","","x-ray","0.71073","MoKα","","0.0265","0.0231","","","0.051","0.0523","","","","","","1.069","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116777","9.7808","0.0005","23.697","0.0007","26.1815","0.0008","90","","95.334","0.004","90","","6042","0.4","101.8","0.3","101.8","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[U(TPIP)2Ph3PO)","2","","- C67 H57 Cl2 N2 O7 P5 U -","- C67 H57 Cl2 N2 O7 P5 U -","- C268 H228 Cl8 N8 O28 P20 U4 -","4","1","","Sean D. Woodall; Adam N. Swinburne; Nidhu lal Banik; Andrew Kerridge; Poppy Di Pietro; Christian Adam; Peter Kaden; Louise S. Natrajan","Neptunyl(VI) centred visible LMCT emission directly observable in the presence of uranyl(VI)","Chem.Commun.","2015","51","","5402","","10.1039/C4cc08718F","","x-ray","0.71073","MoKα","","0.0487","0.0376","","","0.0849","0.0898","","","","","","1.031","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116778","13.8799","0.001","16.5053","0.0012","11.7284","0.0007","90","","90","","90","","2686.9","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","CpFe(PEt3)2(Bpin)","","","- C23 H47 B Fe O2 P2 -","- C23 H46.124 B Fe O2 P2 -","- C92 H184.496 B4 Fe4 O8 P8 -","4","0.5","","Thomas J. Mazzacano; Neal P. Mankad","Thermal C-H borylation using a CO-free iron boryl complex","Chem.Commun.","2015","51","","5379","","10.1039/C4cc09180A","","","0.71073","","","0.0472","0.0344","","","0.0933","0.104","","","","","","1.019","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116779","10.5518","0.0018","14.372","0.002","16.31","0.003","90","","108.637","0.005","90","","2343.7","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CpFe(P(OMe)3)2(Bpin)","","","- C17 H35 B Fe O8 P2 -","- C17 H35 B Fe O8 P2 -","- C68 H140 B4 Fe4 O32 P8 -","4","1","","Thomas J. Mazzacano; Neal P. Mankad","Thermal C-H borylation using a CO-free iron boryl complex","Chem.Commun.","2015","51","","5379","","10.1039/C4cc09180A","","","0.71073","","","0.1649","0.1174","","","0.3086","0.3644","","","","","","1.178","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116780","10.7235","0.0005","18.0733","0.0009","18.7761","0.0008","90","","100.2","0.0015","90","","3581.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CpFe(P(OCH2CF3)3)2(Bpin)","","","- C23 H24 B F18 Fe O8 P3 -","- C23 H29 B F18 Fe O8 P2 -","- C92 H116 B4 F72 Fe4 O32 P8 -","4","1","","Thomas J. Mazzacano; Neal P. Mankad","Thermal C-H borylation using a CO-free iron boryl complex","Chem.Commun.","2015","51","","5379","","10.1039/C4cc09180A","","","0.71073","","","0.0621","0.0465","","","0.1469","0.1628","","","","","","1.174","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116781","11.5743","0.0008","11.7501","0.0008","12.5007","0.0008","86.489","0.001","86.743","0.001","60.987","0.001","1483.23","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 N5 O Re S4 -","- C24 H36 N5 O Re S4 -","- C48 H72 N10 O2 Re2 S8 -","2","1","","Yan, Yong; Mague, Joel T.; Donahue, James P.; Sproules, Stephen","Unprecedented Spin Localisation in a Paramagnetic Dirhenium Complex with Multiple Metal Bonds","Chem.Commun.","2015","51","","5482","","10.1039/C4cc09397F","","","0.71073","MoKα","","0.0145","0.0142","","","0.0358","0.036","","","","","","1.082","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7116782","8.3539","0.0003","11.145","0.0003","16.1987","0.0005","90","","101.731","0.001","90","","1476.67","0.08","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","M. Presset; B. Michelet; R. Guillot; C. Bour; S. Bezzenine-Lafollee; V. Gandon","Gallium(III)- and calcium(II)-catalyzed Meyer-Schuster rearrangements followed by intramolecular aldol condensation or endo-Michael addition","Chem.Commun.","2015","51","","5318","","10.1039/C4cc09514F","","x-ray","0.71073","MoKα","","0.0592","0.0415","","","0.0985","0.108","","","","","","1.042","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116783","17.4973","0.0008","9.579","0.0005","20.1652","0.001","90","","98.859","0.004","90","","3339.5","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2","","- C26 H29 F12 N7 O2 P2 Pd -","- C26 H29 F12 N7 O2 P2 Pd -","- C104 H116 F48 N28 O8 P8 Pd4 -","4","1","","Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans","sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond","Chem.Commun.","2015","51","","5513","","10.1039/C4cc10163D","","","0.71073","MoKα","","0.0775","0.0572","","","0.1242","0.1374","","","","","","1.03","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116784","12.097","0.003","6.8619","0.0013","21.461","0.003","90","","91.882","0.017","90","","1780.5","0.6","100.2","0.7","100.2","0.7","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","3.PF6","","- C14 H15 F6 N4 O P Pd -","- C14 H15 F6 N4 O P Pd -","- C56 H60 F24 N16 O4 P4 Pd4 -","4","1","","Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans","sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond","Chem.Commun.","2015","51","","5513","","10.1039/C4cc10163D","","","1.54184","CuKα","","0.1697","0.1449","","","0.3606","0.3755","","","","","","1.073","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116785","13.0668","0.0011","6.8152","0.0004","21.0073","0.0018","90","","90.568","0.008","90","","1870.7","0.3","119.99","0.18","119.99","0.18","","","","","","","","7","P 1 21 1","P 2yb","4","","3.SbF6","","- C14 H15 F6 N4 O Pd Sb -","- C14 H15 F6 N4 O Pd Sb -","- C56 H60 F24 N16 O4 Pd4 Sb4 -","4","2","","Michael R. Chapman; Christopher M. Pask; Alireza Ariafard; Charlotte E. Willans","sigma-Alkenyl endo-palladacycle formation via regiospecific functionalisation of an unreactive NHC-tethered C(sp2)-H bond","Chem.Commun.","2015","51","","5513","","10.1039/C4cc10163D","","","0.71073","MoKα","","0.1393","0.1189","","","0.3056","0.3264","","","","","","1.071","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116786","5.018","0.004","11.717","0.009","18.072","0.014","90","","90","","90","","1062.6","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.6889","synchrotron","","0.082","0.0446","","","0.0956","0.1085","","","","","","0.995","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116787","9.4905","0.0005","4.937","0.0002","21.8359","0.0011","90","","95.103","0.005","90","","1019.06","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.7107","MoKα","","0.1384","0.086","","","0.1785","0.2088","","","","","","1.018","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116788","10.5236","0.0003","7.17","0.0002","13.5856","0.0004","90","","93.912","0.003","90","","1022.7","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.71073","","","0.062341","0.047219","","","","0.125187","","","","","","1.0433","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116789","4.918","0.0005","17.5881","0.0019","11.975","0.0013","90","","97.432","0.003","90","","1027.12","0.19","120","2","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.71073","MoKα","","0.0988","0.0504","","","0.1169","0.1405","","","","","","0.999","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116790","9.3763","0.0006","6.5586","0.0004","16.7932","0.001","90","","102.558","0.002","90","","1008","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","x-ray","0.71073","MoKα","","0.0766","0.0703","","","0.1707","0.1793","","","","","","1.0606","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116791","12.7256","0.0011","5.4479","0.0005","14.793","0.0014","90","","103.039","0.003","90","","999.12","0.16","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","x-ray","0.71073","MoKα","","0.0831","0.0666","","","0.1655","0.1807","","","","","","1.0528","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116792","14.6822","0.0018","6.6231","0.0008","20.97","0.003","90","","90","","90","","2039.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.71073","MoKα","","0.2986","0.1958","","","0.4158","0.4813","","","","","","1.3261","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116793","19.5203","0.0011","11.1949","0.0006","20.5166","0.0013","90","","99.303","0.003","90","","4424.5","0.4","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cu N4 O2 -","- C50 H61 Cu N4 O2 -","- C200 H244 Cu4 N16 O8 -","4","1","","Vincent Cesar; Valentina Mallardo; Adela Nano; Georges Dahm; Noel Lugan; Guy Lavigne; Stephane Bellemin-Laponnaz","IMes-acac: hybrid combination of diaminocarbene and acetylacetonato sub-units into a new anionic ambidentate NHC ligand","Chem.Commun.","2015","51","","5271","","10.1039/C4cc08641D","","x-ray","0.71073","MoKα","","0.0495","0.0415","","","0.108","0.1142","","","","","","0.97","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116794","10.373","0.005","18.414","0.005","26.739","0.005","96.931","0.005","91.874","0.005","102.56","0.005","4940","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H62 B Cu F4 N4 O2 -","- C50 H62 B Cu F4 N4 O2 -","- C200 H248 B4 Cu4 F16 N16 O8 -","4","2","","Vincent Cesar; Valentina Mallardo; Adela Nano; Georges Dahm; Noel Lugan; Guy Lavigne; Stephane Bellemin-Laponnaz","IMes-acac: hybrid combination of diaminocarbene and acetylacetonato sub-units into a new anionic ambidentate NHC ligand","Chem.Commun.","2015","51","","5271","","10.1039/C4cc08641D","","x-ray","0.71073","MoKα","","0.0762","0.0609","","","0.1747","0.1924","","","","","","1.031","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116795","17.0837","0.0007","12.5402","0.0005","9.2795","0.0008","90","","90","","90","","1988","0.2","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H31 Cl Cu N4 O6 -","- C13 H31 Cl Cu N4 O6 -","- C52 H124 Cl4 Cu4 N16 O24 -","4","1","","Athina Anastasaki; Vasiliki Nikolaou; Francesca Brandford-Adams; Gabit Nurumbetov; Qiang Zhang; Guy J. Clarkson; David J. Fox; Paul Wilson; Kristian Kempe; David M. Haddleton","Photo-induced living radical polymerization of acrylates utilizing a discrete copper(II)-formate complex","Chem.Commun.","2015","51","","5626","","10.1039/C4cc09916H","","x-ray","0.71073","MoKα","","0.0858","0.0534","","","0.1324","0.1583","","","","","","1.102","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116796","18.8261","0.001","22.1934","0.0009","10.0062","0.0008","90","","90","","90","","4180.7","0.4","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","UTSA-60","","- C18 H14 Cu2 N0 O10 -","- C18 H14 Cu2 O10 -","- C72 H56 Cu8 O40 -","4","0.25","","Hui-Min Wen; Bin Li; Hailong Wang; Chuande Wu; Khalid Alfooty; Rajamani Krishna; Banglin Chen","A microporous metal-organic framework with rare lvt topology for highly selective C2H2/C2H4 separation at room temperature","Chem.Commun.","2015","51","","5610","","10.1039/C4cc09999K","","","1.54178","CuKα","","0.0806","0.0639","","","0.1574","0.17","","","","","","0.948","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116797","16.18","0.002","43.077","0.005","45.485","0.006","90","","90","","90","","31702","7","296","2","296","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Cu-BTT","","- C35 H41 Cu5 N40 O0 -","- C35 H41 Cu5 N40 -","- C560 H656 Cu80 N640 -","16","","","B. X. Dong; S. Y. Zhang; W. L. Liu; Y. C. Wu; J. Ge; L. Song; Y. L. Teng","Gas storage and separation in a water-stable [Cu^I^5BTT3]^4-^ anion framework comprising a giant multi-prismatic nanoscale cage","Chem.Commun.","2015","51","","5691","","10.1039/C4cc10002F","","","0.71073","MoKα","","0.0853","0.0489","","","0.136","0.1474","","","","","","0.993","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116798","10.82","0.006","11.235","0.007","15.074","0.009","90","","110.637","0.012","90","","1714.9","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H51 N O2 Zr -","- C36 H51 N O2 Zr -","- C72 H102 N2 O4 Zr2 -","2","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.1468","0.0636","","","0.1527","0.2144","","","","","","0.83","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116799","25.473","0.004","25.473","0.004","15.017","0.003","90","","90","","120","","8439","3","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C42 H57 N O2 Zr -","- C42 H57 N O2 Zr -","- C378 H513 N9 O18 Zr9 -","9","3","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0897","0.0888","","","0.2347","0.2352","","","","","","1.128","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116800","10.4723","0.0009","20.7272","0.0019","21.2971","0.0019","90","","90","","90","","4622.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H57 N O2 Si Zr -","- C50 H57 N O2 Si Zr -","- C200 H228 N4 O8 Si4 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0978","0.0514","","","0.092","0.1051","","","","","","0.839","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116801","9.9279","0.0007","20.7319","0.0015","20.8378","0.0016","90","","90","","90","","4288.9","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H57 N O2 Zr -","- C51 H57 N O2 Zr -","- C204 H228 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0806","0.0505","","","0.1005","0.1178","","","","","","0.992","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116802","10.0708","0.001","16.4364","0.0016","29.62","0.003","90","","91.34","0.002","90","","4901.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H61 N O2 Zr -","- C53 H61 N O2 Zr -","- C212 H244 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.1365","0.0637","","","0.1017","0.1158","","","","","","0.922","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116803","12.3987","0.0011","10.2035","0.0009","35.906","0.003","90","","91.315","0.002","90","","4541.3","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H59 N O2 Zr -","- C56 H59 N O2 Zr -","- C224 H236 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0532","0.0513","","","0.1253","0.1275","","","","","","1.15","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116804","9.9153","0.001","39.191","0.004","10.9485","0.0011","90","","93.596","0.002","90","","4246.1","0.7","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H55 N O2 Zr -","- C50 H55 N O2 Zr -","- C200 H220 N4 O8 Zr4 -","4","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0343","0.0333","","","0.0838","0.0842","","","","","","1.092","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116805","10.249","0.004","10.086","0.004","20.139","0.008","90","","102.78","0.007","90","","2030.2","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H51 N O2 Zr -","- C49 H51 N O2 Zr -","- C98 H102 N2 O4 Zr2 -","2","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0555","0.0405","","","0.1065","0.1389","","","","","","1.009","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116806","10.4071","0.0008","20.0669","0.0015","20.1804","0.0014","90","","90","","90","","4214.4","0.5","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H55 N O2 Zr -","- C51 H55 N O2 Zr -","- C204 H220 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0695","0.0434","","","0.0876","0.0974","","","","","","0.98","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116807","10.5049","0.0009","20.1449","0.0017","20.7934","0.0017","90","","90","","90","","4400.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N O2 Zr -","- C53 H59 N O2 Zr -","- C212 H236 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0355","0.0326","","","0.0844","0.0869","","","","","","1.065","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116808","9.9859","0.0009","10.2631","0.001","46.379","0.005","90","","90","","90","","4753.2","0.8","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H59 N O2 Zr -","- C61 H59 N O2 Zr -","- C244 H236 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0859","0.0533","","","0.081","0.0883","","","","","","0.961","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116809","29.258","0.004","24.694","0.004","23.148","0.003","90","","117.297","0.002","90","","14862","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 N O2 Zr -","- C44 H43 N O2 Zr -","- C704 H688 N16 O32 Zr16 -","16","2","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.1446","0.0789","","","0.1831","0.2127","","","","","","0.924","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116810","12.0652","0.0019","13.096","0.002","23.377","0.004","100.831","0.003","93.008","0.003","111.473","0.003","3346.2","0.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H87 N5 O4 Zr2 -","- C72 H87 N5 O4 Zr2 -","- C144 H174 N10 O8 Zr4 -","2","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0791","0.0483","","","0.125","0.1389","","","","","","0.953","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116811","18.1019","0.0008","18.1019","0.0008","24.668","0.002","90","","90","","120","","7000.2","0.7","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","Medi-MOF-1","","","- C42 H34 O12 Zn3 -","- C42 H34 O12 Zn3 -","- C126 H102 O36 Zn9 -","3","0.5","","Hongmin Su; Fuxing Sun; Jiangtao Jia; Hongming He; Aifei Wang; Guangshan Zhu","A highly porous medical metal-organic framework constructed from bioactive curcumin","Chem.Commun.","2015","51","","5774","","10.1039/C4cc10159F","","","0.71073","MoKα","","0.1335","0.0692","","","0.2338","0.2569","","","","","","1.078","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116812","5.0946","0.0002","14.4569","0.0005","18.2887","0.0007","90","","90","","90","","1347","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C52 H56 N8 O28 -","4","1","","E.-K. Kim; R. Krishnamurthy","Synthesis of orotidine by intramolecular nucleosidation","Chem.Commun.","2015","51","","5618","","10.1039/C5cc00111K","","x-ray","1.54178","CuKα","","0.0292","0.0261","","","0.0647","0.0663","","","","","","1.021","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116813","6.1806","0.0013","14.641","0.003","20.36","0.004","90","","90","","90","","1842.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C64 H116 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.052","0.0374","","","0.0885","0.0953","","","","","","0.983","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116814","6.3376","0.0005","15.4586","0.0012","20.0153","0.0017","90","","90","","90","","1960.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C68 H124 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.04","0.0323","","","0.0765","0.0812","","","","","","0.919","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116815","7.6206","0.0004","11.4755","0.0009","26.5274","0.0016","90","","90","","90","","2319.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O7 -","- C24 H31 N O7 -","- C96 H124 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0395","0.0365","","","0.0941","0.0968","","","","","","1.023","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116816","14.4045","0.0011","6.2322","0.0005","23.4872","0.0018","90","","103.762","0.002","90","","2048","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C80 H116 N4 O28 -","4","2","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0543","0.0382","","","0.0803","0.0872","","","","","","1.007","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116817","13.74","0.005","6.188","0.003","15.056","0.006","90","","113.998","0.008","90","","1169.5","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O7 -","- C24 H31 N O7 -","- C48 H62 N2 O14 -","2","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0484","0.0429","","","0.1157","0.1191","","","","","","1.052","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116818","14.634","0.003","6.2305","0.0012","11.855","0.002","90","","102.86","0.03","90","","1053.8","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O7 -","- C20 H29 N O7 -","- C40 H58 N2 O14 -","2","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.042","0.0351","","","0.0848","0.0888","","","","","","1.016","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116819","9.938","0.002","15.052","0.003","16.599","0.003","90","","94.82","0.03","90","","2474.2","0.8","113.15","","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 B2 N2 -","- C32 H24 B2 N2 -","- C128 H96 B8 N8 -","4","1","","Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui","Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene","Chem.Commun.","2015","51","","5732","","10.1039/C5cc00471C","","","0.71073","MoKα","","0.0745","0.0561","","","0.1299","0.1417","","","","","","1.081","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116820","9.492","0.0019","10.356","0.002","10.494","0.002","76.69","0.03","80.05","0.03","77.48","0.03","971.7","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 B2 N2 S -","- C24 H18 B2 N2 S -","- C48 H36 B4 N4 S2 -","2","1","","Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui","Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene","Chem.Commun.","2015","51","","5732","","10.1039/C5cc00471C","","","0.71073","MoKα","","0.1016","0.0557","","","0.1235","0.1474","","","","","","0.942","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116821","11.268","0.002","23.152","0.005","8.5403","0.0017","90","","90","","90","","2228","0.8","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 B N2 -","- C28 H25 B N2 -","- C112 H100 B4 N8 -","4","1","","Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui","Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene","Chem.Commun.","2015","51","","5732","","10.1039/C5cc00471C","","","0.71073","MoKα","","0.0598","0.0503","","","0.1239","0.1316","","","","","","1.047","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116822","10.344","0.002","17.825","0.004","18.052","0.004","94.99","0.03","98.18","0.03","90.06","0.03","3281.8","1.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 B N2 -","- C20 H17 B N2 -","- C160 H136 B8 N16 -","8","4","","Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui","Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene","Chem.Commun.","2015","51","","5732","","10.1039/C5cc00471C","","","0.71073","MoKα","","0.1435","0.0798","","","0.2043","0.2505","","","","","","0.95","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116823","13.0848","0.0004","13.5713","0.0004","16.2698","0.0005","90","","94.205","0.002","90","","2881.38","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O5 S2 -","- C30 H38 N2 O5 S2 -","- C120 H152 N8 O20 S8 -","4","2","","Yi Li; Marcel Hartmann; Constantin Gabriel Daniliuc; Armido Studer","Radical aminooxygenation of alkenes with N-fluoro-benzenesulfonimide (NFSI) and TEMPONa","Chem.Commun.","2015","51","","5706","","10.1039/C5cc00591D","","","1.54178","CuKα","","0.0419","0.033","","","0.066","0.0689","","","","","","1.03","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116824","13.0009","0.0001","24.7338","0.0002","10.817","0.0001","90","","90","","90","","3478.33","0.05","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","[Zn(dippNacNac)I] .(C6H6)","","- C35 H47 I N2 Zn -","- C35 H47 I N2 Zn -","- C140 H188 I4 N8 Zn4 -","4","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex","Chem.Commun.","2015","51","","5743","","10.1039/C5cc00637F","","","1.5418","CuKα","","0.0637","0.0606","","0.0236","0.0228","0.0225","","","","","","1.1012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116825","20.9493","0.0002","14.21072","0.0001","22.37442","0.00014","90","","90","","90","","6660.97","0.09","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(DIPPNacNac)(Fp)]","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex","Chem.Commun.","2015","51","","5743","","10.1039/C5cc00637F","","","1.54184","CuKα","","0.0245","0.0231","","0.0289","0.0279","0.0276","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116826","12.784","0.0001","17.3101","0.0002","13.0055","0.0001","90","","101.117","0.001","90","","2824.01","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hg{(DippNacNac)Zn}2","","- C58 H82 Hg N4 Zn2 -","- C58 H82 Hg N4 Zn2 -","- C116 H164 Hg2 N8 Zn4 -","2","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex","Chem.Commun.","2015","51","","5743","","10.1039/C5cc00637F","","","1.5418","CuKα","","0.0326","0.0303","","0.0287","0.0282","0.0279","","","","","","1.0264","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116827","34.3269","0.0006","16.0953","0.0003","17.3532","0.0003","90","","115.959","0.0006","90","","8620.3","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DiBr_C3A","","","- C39 H45 Br6 N3 O3 -","- C39 H45 Br6 N3 O3 -","- C312 H360 Br48 N24 O24 -","8","1","","Ryohei Yamakado; Shin-ichi Matsuoka; Masato Suzuki; Daisuke Takeuchi; Hyuma Masu; Isao Azumaya; Koji Takagi","Diastereoselective cyclization of an aminobenzoic acid derivative and chiroptical properties of triple-stranded helical bis(phenylethynyl)benzene","Chem.Commun.","2015","51","","5710","","10.1039/C5cc00945F","","","1.54178","CuKα","","0.0272","0.0256","","","0.0709","0.0724","","","","","","1.047","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116828","8.1943","0.0005","26.8625","0.0017","42.167","0.003","90","","90.213","0.003","90","","9281.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 F12 N12 O12 Zn2 -","- C88 H60 F12 N12 O12 Zn2 -","- C352 H240 F48 N48 O48 Zn8 -","4","1","","Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali","Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes","Chemical Communications (Cambridge, United Kingdom)","2015","51","27","5840","5843","10.1039/c4cc07392d","","","0.71073","MoKα","","0.1161","0.0928","","","0.2499","0.2648","","","","","","1.047","","","","has coordinates","210853","2020-10-21","18:00:00",""
"7116829","43.874","0.004","8.3311","0.0009","29.743","0.003","90","","110.065","0.006","90","","10211.8","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H68 F18 N12 O13 Zn2 -","- C96 H68 F18 N12 O13 Zn2 -","- C384 H272 F72 N48 O52 Zn8 -","4","1","","Prakasam, Thirumurugan; Lusi, Matteo; Nauha, Elisa; Olsen, John-Carl; Sy, Mohamadou; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Trabolsi, Ali","Dynamic stereoisomerization in inherently chiral bimetallic [2]catenanes","Chemical Communications (Cambridge, United Kingdom)","2015","51","27","5840","5843","10.1039/c4cc07392d","","","1.54178","CuKα","","0.0719","0.0693","","","0.1899","0.1931","","","","","","1.043","","","","has coordinates","210853","2020-10-21","18:00:00",""
"7116830","8.3217","0.0006","9.5453","0.0006","17.1799","0.0011","90","","100.577","0.003","90","","1341.47","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Sreekumar Pankajakshan; Zhi Guang Chng; Rakesh Ganguly; Teck Peng Loh","Copper-catalyzed aerobic carboxygenation and N-arylation of [1,2,3]triazolo[1,5-a]pyridines towards pyridinium triazolinone ylides","Chem.Commun.","2015","51","","5929","","10.1039/C4cc10061A","","","0.71073","MoKα","","0.1005","0.055","","","0.1089","0.127","","","","","","1.016","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116831","11.477","0.003","8.789","0.002","19.955","0.006","90","","103.778","0.008","90","","1955","0.9","443","2","443","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C96 H72 N24 O8 -","8","1","","Sreekumar Pankajakshan; Zhi Guang Chng; Rakesh Ganguly; Teck Peng Loh","Copper-catalyzed aerobic carboxygenation and N-arylation of [1,2,3]triazolo[1,5-a]pyridines towards pyridinium triazolinone ylides","Chem.Commun.","2015","51","","5929","","10.1039/C4cc10061A","","","0.71073","","","0.0781","0.0491","","","0.118","0.1331","","","","","","1.035","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116832","15.205","0.003","7.3621","0.0015","18.007","0.004","90","","96.56","0.03","90","","2002.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","1","","Jia Zheng; Liangbin Huang; Zun Li; Wanqing Wu; Jianxiao Li; Huanfeng Jiang","Synthesis of 3-bromosubstituted pyrroles via palladium-catalyzed intermolecular oxidative cyclization of bromoalkynes with N-allylamines","Chem.Commun.","2015","51","","5894","","10.1039/C4cc10322J","","","0.71073","MoKα","","0.0574","0.045","","","0.1417","0.162","","","","","","0.942","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116833","11.7482","0.0008","13.7728","0.0008","15.9289","0.0009","102.716","0.002","104.883","0.002","113.218","0.002","2134.1","0.2","173","2","173","2","","","101.3","","","","","3","P -1","-P 1","2","","syn-exo_2Ph","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","2","","Shohei Eda; Fumiaki Eguchi; Hiroshi Haneda; Toshiyuki Hamura","A new synthetic route to substituted tetracenes and pentacenes via stereoselective [4+2] cycloadditions of 1,4-dihydro-1,4-epoxynaphthalene and isobenzofuran","Chem.Commun.","2015","51","","5963","","10.1039/C5cc00077G","","x-ray","0.71075","MoKα","","0.106","0.0626","","","0.1486","0.1751","","","","","","1.074","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116834","10.448","0.0002","12.7886","0.0002","16.6149","0.0003","84.832","0.001","71.771","0.001","84.18","0.001","2093.72","0.07","173","2","173","2","","","101.3","","","","","3","P -1","-P 1","2","","anti-endo_2Ph","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","2","","Shohei Eda; Fumiaki Eguchi; Hiroshi Haneda; Toshiyuki Hamura","A new synthetic route to substituted tetracenes and pentacenes via stereoselective [4+2] cycloadditions of 1,4-dihydro-1,4-epoxynaphthalene and isobenzofuran","Chem.Commun.","2015","51","","5963","","10.1039/C5cc00077G","","x-ray","1.54186","CuKα","","0.0589","0.0465","","","0.1267","0.1373","","","","","","1.121","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116835","10.5584","0.0002","9.542","0.0002","29.2511","0.0005","90","","91.525","0.001","90","","2945.95","0.1","173","2","173","2","","","101.3","","","","","3","P 1 21/c 1","-P 2ybc","14","sample2","1,3,10,12-tetraphenyl-19,20-dioxahexacycloicosahexaene","","- C42 H30 O2 -","- C42 H30 O2 -","- C168 H120 O8 -","4","1","","Shohei Eda; Fumiaki Eguchi; Hiroshi Haneda; Toshiyuki Hamura","A new synthetic route to substituted tetracenes and pentacenes via stereoselective [4+2] cycloadditions of 1,4-dihydro-1,4-epoxynaphthalene and isobenzofuran","Chem.Commun.","2015","51","","5963","","10.1039/C5cc00077G","","","1.54186","CuKα","","0.1312","0.0768","","","0.1988","0.2783","","","","","","1.132","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116836","12.0145","0.0007","13.1895","0.0007","14.9239","0.0009","64.581","0.004","70.692","0.004","88.526","0.004","1997","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 Cl2 Li N8 O2 Sc -","- C43 H38 Cl2 Li N8 O2 Sc -","- C86 H76 Cl4 Li2 N16 O4 Sc2 -","2","1","","Rachel H. Platel; Thiago Teixeira Tasso; Wen Zhou; Taniyuki Furuyama; Nagao Kobayashi; Daniel B. Leznoff","Metallophthalocyanin-ocenes: scandium phthalocyanines with an eta^5^-bound Cp ring","Chem.Commun.","2015","51","","5986","","10.1039/C5cc00237K","","","0.71073","MoKα","","0.212","0.0758","","","0.1662","0.2131","","","","","","0.959","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116837","8.976","0.008","15.873","0.016","19.618","0.019","83.59","0.02","86.358","0.019","83.85","0.02","2758","5","149","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H21 N8 Sc -","- C37 H21 N8 Sc -","- C148 H84 N32 Sc4 -","4","2","","Rachel H. Platel; Thiago Teixeira Tasso; Wen Zhou; Taniyuki Furuyama; Nagao Kobayashi; Daniel B. Leznoff","Metallophthalocyanin-ocenes: scandium phthalocyanines with an eta^5^-bound Cp ring","Chem.Commun.","2015","51","","5986","","10.1039/C5cc00237K","","","1.54178","CuKα","","0.2077","0.1083","","","0.281","0.3203","","","","","","1.019","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116838","16.1402","0.0003","21.4116","0.0003","21.6902","0.0004","90","","90","","90","","7495.9","0.2","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H37 N8 O0.75 Sc -","- C45 H37 N8 O0.75 Sc -","- C360 H296 N64 O6 Sc8 -","8","1","","Rachel H. Platel; Thiago Teixeira Tasso; Wen Zhou; Taniyuki Furuyama; Nagao Kobayashi; Daniel B. Leznoff","Metallophthalocyanin-ocenes: scandium phthalocyanines with an eta^5^-bound Cp ring","Chem.Commun.","2015","51","","5986","","10.1039/C5cc00237K","","","1.54178","CuKα","","0.0827","0.0686","","","0.1935","0.2033","","","","","","1.114","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116839","18.0049","0.0009","9.0457","0.0004","32.7494","0.0015","90","","90","","90","","5333.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N4 Ni S2 -","- C32 H26 N4 Ni S2 -","- C256 H208 N32 Ni8 S16 -","8","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0739","0.0417","","","0.1042","0.1267","","","","","","1.089","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116840","9.7891","0.0002","11.7331","0.0002","12.5712","0.0003","104.486","0.001","99.689","0.001","102.531","0.001","1326.3","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N4 Ni S2 -","- C32 H26 N4 Ni S2 -","- C64 H52 N8 Ni2 S4 -","2","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0455","0.0366","","","0.0895","0.0947","","","","","","1.072","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116841","9.9075","0.0002","12.3331","0.0003","12.436","0.0003","64.149","0.001","69.893","0.001","79.482","0.001","1283.19","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N4 Ni S2 -","- C32 H24 N4 Ni S2 -","- C64 H48 N8 Ni2 S4 -","2","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.049","0.0344","","","0.0762","0.0828","","","","","","1.028","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116842","8.9232","0.0002","12.3869","0.0003","14.6782","0.0004","75.749","0.001","75.097","0.001","86.521","0.001","1519.57","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl3 N4 S2 -","- C33 H27 Cl3 N4 S2 -","- C66 H54 Cl6 N8 S4 -","2","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0875","0.0517","","","0.1213","0.1394","","","","","","1.034","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116843","15.1355","0.0004","14.9332","0.0004","24.9048","0.0005","90","","106.399","0.001","90","","5400","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 N8 S4 Zn2 -","- C64 H48 N8 S4 Zn2 -","- C256 H192 N32 S16 Zn8 -","4","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.1008","0.0517","","","0.131","0.158","","","","","","1.064","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116844","13.3649","0.0005","18.2896","0.0006","18.8109","0.0007","96.448","0.002","99.538","0.002","94.693","0.002","4482.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C205 H172 N24 O4 S12 Zn6 -","- C205 H160 N24 O4 S12 Zn6 -","- C205 H160 N24 O4 S12 Zn6 -","1","0.5","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.1384","0.0631","","","0.1602","0.2003","","","","","","1.018","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116845","9.2124","0.0003","11.1476","0.0003","14.7168","0.0005","86.166","0.001","76.5","0.001","70.682","0.001","1386.77","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C68 H52 N8 Ni2 O8 -","2","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0545","0.0419","","","0.101","0.1089","","","","","","1.027","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116846","34.4732","0.0008","9.868","0.0002","7.9143","0.0002","90","","100.724","0.001","90","","2645.28","0.11","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4 Ni O4 -","- C34 H24 N4 Ni O4 -","- C136 H96 N16 Ni4 O16 -","4","0.5","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0369","0.031","","","0.0879","0.1003","","","","","","1.141","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116847","20.8248","0.0007","7.2192","0.0002","19.4469","0.0007","90","","105.825","0.001","90","","2812.81","0.16","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C136 H104 N16 O16 -","4","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.1032","0.0544","","","0.1259","0.1538","","","","","","1.023","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116848","23.8065","0.0015","16.6644","0.0011","42.744","0.003","90","","100.563","0.002","90","","16670.1","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 N8 O8 Zn2 -","- C68 H48 N8 O8 Zn2 -","- C816 H576 N96 O96 Zn24 -","12","1.5","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.1386","0.0775","","","0.1884","0.219","","","","","","1.056","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116849","18.1355","0.0004","21.5289","0.0005","25.5659","0.0006","90","","100.008","0.001","90","","9830","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H75 Cl9 N12 O12 Zn3 -","- C105 H75 Cl9 N12 O12 Zn3 -","- C420 H300 Cl36 N48 O48 Zn12 -","4","0.5","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.1187","0.0615","","","0.1619","0.2011","","","","","","1.039","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116850","15.3648","0.0009","19.7305","0.0011","23.6393","0.0013","90","","90","","90","","7166.4","0.7","190","2","190","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C136 H96 N16 O16 Zn4 -","- C136 H96 N16 O16 Zn4 -","- C272 H192 N32 O32 Zn8 -","2","0.25","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0566","0.0425","","","0.0899","0.0941","","","","","","0.953","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116851","15.337","0.0006","19.7279","0.0014","23.6518","0.0012","90","","90","","90","","7156.2","0.7","190","2","190","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C136 H96 N16 O16 Zn4 -","- C136 H96 N16 O16 Zn4 -","- C272 H192 N32 O32 Zn8 -","2","0.25","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0731","0.048","","","0.0958","0.1021","","","","","","0.954","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116852","13.134","0.002","16.309","0.005","14.601","0.002","90","","96.167","0.011","90","","3109.5","1.1","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H15 As B F15 O -","- C36 H15 As B F15 O -","- C144 H60 As4 B4 F60 O4 -","4","1","","Ralf Kather; Tomas Svoboda; Maren Wehrhahn; Elena Rychagova; Enno Lork; Libor Dostal; Sergey Ketkov; Jens Beckmann","Lewis-acid induced disaggregation of dimeric arylantimony oxides","Chem.Commun.","2015","51","","5932","","10.1039/C5cc00738K","","","0.71073","MoKα","","0.0717","0.0428","","","0.093","0.1035","","","","","","1.012","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116853","12.248","0.002","17.312","0.004","15.058","0.004","90","","95.34","0.01","90","","3179","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H15 B F15 O Sb -","- C36 H15 B F15 O Sb -","- C144 H60 B4 F60 O4 Sb4 -","4","1","","Ralf Kather; Tomas Svoboda; Maren Wehrhahn; Elena Rychagova; Enno Lork; Libor Dostal; Sergey Ketkov; Jens Beckmann","Lewis-acid induced disaggregation of dimeric arylantimony oxides","Chem.Commun.","2015","51","","5932","","10.1039/C5cc00738K","","","0.71073","MoKα","","0.0481","0.0363","","","0.091","0.0956","","","","","","1.037","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116854","9.814","0.002","10.784","0.002","16.68","0.002","84.08","0.01","87.26","0.01","77.49","0.02","1713.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H19 B F15 N2 O Sb -","- C30 H19 B F15 N2 O Sb -","- C60 H38 B2 F30 N4 O2 Sb2 -","2","1","","Ralf Kather; Tomas Svoboda; Maren Wehrhahn; Elena Rychagova; Enno Lork; Libor Dostal; Sergey Ketkov; Jens Beckmann","Lewis-acid induced disaggregation of dimeric arylantimony oxides","Chem.Commun.","2015","51","","5932","","10.1039/C5cc00738K","","","0.71073","MoKα","","0.0336","0.0302","","","0.0813","0.0829","","","","","","1.064","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116855","11.461","0.002","12.938","0.003","15.619","0.003","90","","93.48","0.03","90","","2311.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 O2 S3 -","- C25 H24 N2 O2 S3 -","- C100 H96 N8 O8 S12 -","4","1","","Chuan Liu; Qin Yin; Li-Xin Dai; Shu-Li You","Synthesis of pyrroloindolines and furoindolines via cascade dearomatization of indole derivatives with carbenium ion","Chem.Commun.","2015","51","","5971","","10.1039/C5cc00780A","","","1.54178","CuKα","","0.0426","0.0419","","","0.1136","0.1143","","","","","","1.028","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116856","21.6483","0.0002","15.4318","0.0002","24.4807","0.0002","90","","98.594","0.001","90","","8086.5","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H97 Al N10 O2 U -","- C93 H97 Al N10 O2 U -","- C372 H388 Al4 N40 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","1.54184","CuKα","","0.0531","0.0393","","","0.0942","0.1025","","","","","","1.026","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116857","12.5004","0.0002","40.0423","0.0006","14.2199","0.0002","90","","105.173","0.002","90","","6869.57","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 Al N9 O3 U -","- C74 H88 Al N9 O3 U -","- C296 H352 Al4 N36 O12 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.058","0.0461","","","0.1029","0.1092","","","","","","0.954","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116858","11.963","0.005","14.243","0.005","17.926","0.005","99.705","0.005","90.311","0.005","114.231","0.005","2736","1.7","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H124 Li2 N18 O4 U2 -","- C124 H124 Li2 N18 O4 U2 -","- C124 H124 Li2 N18 O4 U2 -","1","0.5","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0637","0.0401","","","0.0903","0.0961","","","","","","1.054","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116859","14.2782","0.0005","24.4176","0.0006","22.8717","0.0007","90","","90.634","0.003","90","","7973.5","0.4","170","","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84.47 H84.47 Li0.87 N16.49 O2 U -","- C84.392 H84.392 Li0.8696 N16.4784 O2 U -","- C337.568 H337.568 Li3.4784 N65.9136 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0762","0.0513","","","0.0948","0.1026","","","","","","1.001","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116860","14.427","0.005","24.602","0.005","23.182","0.005","90","0.005","90.881","0.005","90","0.005","8227","4","170","2","170","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H62 B0 N12 Na O2 U -","- C62 H62 N12 Na O2 U -","- C248 H248 N48 Na4 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0908","0.0646","","","0.1538","0.1659","","","","","","0.991","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116861","13.693","0.0003","21.7419","0.0005","24.2382","0.0004","90","","90","","90","","7216","0.3","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H76 K N15 O2 U -","- C77 H77 K N15 O2 U -","- C308 H308 K4 N60 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0418","0.032","","","0.0581","0.0611","","","","","","1.028","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116862","16.789","0.002","16.789","0.002","15.144","0.003","90","","90","","120","","3696.8","1","294","2","294","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0705","0.0565","","","0.171","0.1841","","","","","","1.038","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116863","17.431","0.0011","17.431","0.0011","48.043","0.005","90","","90","","120","","12641.7","1.7","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0971","0.0816","","","0.2356","0.2474","","","","","","1.049","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116864","16.7639","0.0007","16.7639","0.0007","14.9592","0.0011","90","","90","","120","","3640.7","0.3","120","0.1","120","0.1","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0786","0.059","","","0.188","0.2049","","","","","","1.03","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116865","16.7335","0.0004","16.7335","0.0004","14.9637","0.0012","90","","90","","120","","3628.6","0.3","195","0.1","195","0.1","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C108 H67.92 Co6 O40 -","6","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0826","0.0571","","","0.1731","0.1921","","","","","","1.051","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116866","17.2813","0.0004","17.2813","0.0004","47.354","0.002","90","","90","","120","","12247.3","0.7","120","0.1","120","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0696","0.0626","","","0.2089","0.2174","","","","","","1.107","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116867","17.3321","0.0004","17.3321","0.0004","47.616","0.002","90","","90","","120","","12387.6","0.7","195","0.1","195","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C18 H11.33 Co O6.67 -","- C18 H11.32 Co O6.66667 -","- C324 H203.76 Co18 O120 -","18","0.5","","Min Chen; Hui Zhao; Chun-Sen Liu; Xi Wang; Heng-Zhen Shi; Miao Du","Template-directed construction of conformational supramolecular isomers for bilayer porous metal-organic frameworks with distinct gas sorption behaviors","Chem.Commun.","2015","51","","6014","","10.1039/C5cc00018A","","","0.71073","MoKα","","0.0736","0.0639","","","0.2183","0.2299","","","","","","1.088","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116868","17.572","0.005","54.043","0.016","9.58","0.003","90","","90","","90","","9098","5","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Er N5 O13 -","- C28 H26 Er N5 O13 -","- C336 H312 Er12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.094","0.083","","","0.1851","0.1964","","","","","","1.135","","","","has coordinates,has disorder","210899","2020-10-21","18:00:00",""
"7116869","17.439","0.003","54.451","0.011","9.5702","0.0019","90","","90","","90","","9088","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Lu N5 O13 -","- C28 H26 Lu N5 O13 -","- C336 H312 Lu12 N60 O156 -","12","","","Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran","Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study","Chemical Communications (Cambridge, United Kingdom)","2015","51","28","6137","6140","10.1039/c4cc09523e","","","0.71075","MoKα","","0.0511","0.0446","","","0.0777","0.0807","","","","","","1.077","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7116870","13.2582","0.0006","14.2403","0.0008","42.561","0.002","90","","90","","90","","8035.5","0.7","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 -","- C54 H52 -","- C432 H416 -","8","2","","K. W. J. Heard; J. J. Morrison; L. Weston; C. H. Lo; L. Pirvu; J. Raftery; M. S. Little; J. J. W. McDouall; S. G. Yeates; P. Quayle","An orthogonal C-H borylation - cross-coupling strategy for the preparation of tetrasubstituted 'A2B2'-chrysene derivatives with tuneable photophysical properties","Chem.Commun.","2015","51","","6115","","10.1039/C4cc10132D","","","1.54178","CuKα","","0.0612","0.0458","","","0.1064","0.115","","","","","","1.008","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116871","15.5669","0.0011","11.5716","0.0008","18.0171","0.0014","90","","96.615","0.004","90","","3223.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 -","- C42 H42 Cl2 -","- C168 H168 Cl8 -","4","1","","K. W. J. Heard; J. J. Morrison; L. Weston; C. H. Lo; L. Pirvu; J. Raftery; M. S. Little; J. J. W. McDouall; S. G. Yeates; P. Quayle","An orthogonal C-H borylation - cross-coupling strategy for the preparation of tetrasubstituted 'A2B2'-chrysene derivatives with tuneable photophysical properties","Chem.Commun.","2015","51","","6115","","10.1039/C4cc10132D","","","1.54178","CuKα","","0.0732","0.0611","","","0.1708","0.1818","","","","","","1.074","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116872","8.5128","0.0003","11.4844","0.0005","13.1495","0.0005","97.59","0.003","96.803","0.003","103.045","0.003","1226.68","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H8 Cl2 F6 -","- C20 H8 Cl2 F6 -","- C60 H24 Cl6 F18 -","3","1.5","","K. W. J. Heard; J. J. Morrison; L. Weston; C. H. Lo; L. Pirvu; J. Raftery; M. S. Little; J. J. W. McDouall; S. G. Yeates; P. Quayle","An orthogonal C-H borylation - cross-coupling strategy for the preparation of tetrasubstituted 'A2B2'-chrysene derivatives with tuneable photophysical properties","Chem.Commun.","2015","51","","6115","","10.1039/C4cc10132D","","","1.5418","CuKα","","0.0364","0.0329","","","0.0842","0.0865","","","","","","1.003","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116873","10.1306","0.0004","11.1529","0.0005","13.6025","0.0005","93.475","0.003","92.686","0.003","101.503","0.004","1500.52","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 Fe N2 -","- C34 H45 Fe N2 -","- C68 H90 Fe2 N4 -","2","1","","Shenglai Yao; Tibor Szilvasi; Nils Lindenmaier; Yun Xiong; Shigeyoshi Inoue; Mario Adelhardt; Jorg Sutter; Karsten Meyer; Matthias Driess","Reductive cleavage of P4 by iron(I) centres: synthesis and structural characterisation of Fe2(P2)2 complexes with two bridging P22- ligands","Chem.Commun.","2015","51","","6153","","10.1039/C5cc00147A","","","0.71073","MoKα","","0.0359","0.0322","","","0.0704","0.072","","","","","","1.081","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116874","14.4521","0.0008","12.9461","0.0006","14.8567","0.0008","90","","105.421","0.006","90","","2679.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Fe2 N4 P4 -","- C54 H74 Fe2 N4 P4 -","- C108 H148 Fe4 N8 P8 -","2","0.5","","Shenglai Yao; Tibor Szilvasi; Nils Lindenmaier; Yun Xiong; Shigeyoshi Inoue; Mario Adelhardt; Jorg Sutter; Karsten Meyer; Matthias Driess","Reductive cleavage of P4 by iron(I) centres: synthesis and structural characterisation of Fe2(P2)2 complexes with two bridging P22- ligands","Chem.Commun.","2015","51","","6153","","10.1039/C5cc00147A","","","1.5418","CuKα","","0.0742","0.0669","","","0.1777","0.1851","","","","","","1.065","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116875","13.2205","0.0001","18.4486","0.0001","18.4434","0.0001","90","","90.303","0.001","90","","4498.28","0.05","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 Fe K0.5 N2 O4 P2 -","- C43 H69 Fe K0.5 N2 O4 P2 -","- C172 H276 Fe4 K2 N8 O16 P8 -","4","1","","Shenglai Yao; Tibor Szilvasi; Nils Lindenmaier; Yun Xiong; Shigeyoshi Inoue; Mario Adelhardt; Jorg Sutter; Karsten Meyer; Matthias Driess","Reductive cleavage of P4 by iron(I) centres: synthesis and structural characterisation of Fe2(P2)2 complexes with two bridging P22- ligands","Chem.Commun.","2015","51","","6153","","10.1039/C5cc00147A","","","1.5418","CuKα","","0.0418","0.037","","","0.0968","0.1013","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116876","11.6351","0.0006","11.6351","0.0006","48.952","0.003","90","","90","","90","","6626.9","0.6","292.23","0.1","292.23","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","h003-w6","","- C19 H18 Cl O2 -","- C19 H17.5 Cl O2 -","- C304 H280 Cl16 O32 -","16","2","","Yang Yang; Jinpeng Li; Biao Du; Changchun Yuan; Bo Liu; Song Qin","An entry to vinylcyclopropane through palladium-catalyzed intramolecular cyclopropanation of alkenes with unstabilized allylic tosylhydrazones","Chem.Commun.","2015","51","","6179","","10.1039/C5cc00235D","","x-ray","1.54184","CuKα","","0.1264","0.0954","","","0.2674","0.2926","","","","","","1.047","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7116877","5.613","0.0004","16.048","0.0014","18.9931","0.0015","90","","90","","90","","1710.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-nitro-2,3-diphenylimidazo[1,2-a]pyridine 1-oxide","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Srimanta Manna; Rishikesh Narayan; Christopher Golz; Carsten Strohmann; Andrey P. Antonchick","Regioselective annulation of nitrosopyridine with alkynes: straightforward synthesis of N-oxide-imidazopyridines","Chem.Commun.","2015","51","","6119","","10.1039/C5cc00533G","","","0.71073","MoKα","","0.0542","0.0358","","","0.0688","0.0753","","","","","","1.021","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116878","43.196","0.017","6.377","0.002","24.5113","0.001","90","","115.408","0.005","90","","6099","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cyclic8T","","","- C56 H72 S8 Si4 -","- C56 H72 S8 Si4 -","- C224 H288 S32 Si16 -","4","0.5","","Kengo Asai; Aiko Fukazawa; Shigehiro Yamaguchi","A cyclic octithiophene containing beta,beta'-linkages","Chem.Commun.","2015","51","","6096","","10.1039/C5cc00570A","","","0.71075","MoKα","","0.0911","0.0617","","","0.171","0.2189","","","","","","1.115","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116879","9.7351","0.0004","29.7778","0.0012","16.3484","0.0006","90","","104.943","0.0016","90","","4579","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 B F15 P3 Pd -","- C46 H45 B F15 P3 Pd -","- C184 H180 B4 F60 P12 Pd4 -","4","1","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","0.71073","MoKα","","0.0814","0.0399","","","0.0651","0.0749","","","","","","1.005","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116880","12.3466","0.0007","11.6819","0.0007","23.5089","0.0014","90","","91.4208","0.0009","90","","3389.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 Cl P2 Pd -","- C33 H53 Cl P2 Pd -","- C132 H212 Cl4 P8 Pd4 -","4","1","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","0.71073","MoKα","","0.0356","0.03","","","0.0706","0.0731","","","","","","1.041","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116881","28.976","0.003","14.6255","0.0014","31.853","0.004","90","","106.946","0.002","90","","12913","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H61 P3 Pd -","- C36 H61 P3 Pd -","- C432 H732 P36 Pd12 -","12","1.5","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","0.71073","MoKα","","0.0395","0.0347","","","0.0835","0.0858","","","","","","1.038","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116882","14.7706","0.001","13.9199","0.0009","28.5994","0.0019","90","","93.208","0.002","90","","5871","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 B F15 P3 Pd -","- C54 H61 B F15 P3 Pd -","- C216 H244 B4 F60 P12 Pd4 -","4","1","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","0.71073","MoKα","","0.0481","0.0379","","","0.088","0.0917","","","","","","1.066","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116883","13.1862","0.0003","12.7167","0.0003","37.1231","0.0008","90","","94.967","0.0009","90","","6201.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 B F24 P3 Pd -","- C60 H58 B F24 P3 Pd -","- C240 H232 B4 F96 P12 Pd4 -","4","1","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","1.54178","CuKα","","0.0465","0.0453","","","0.1137","0.1146","","","","","","1.036","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116884","13.7002","0.0014","17.7228","0.0018","18.52","0.0019","65.531","0.003","74.7","0.003","88.259","0.003","3931.8","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 B F24 P3 Pd -","- C68 H74 B F24 P3 Pd -","- C136 H148 B2 F48 P6 Pd2 -","2","1","","Peng Cui; Cezar C. Comanescu; Vlad M. Iluc","Frustrated Lewis pair-like reactions of nucleophilic palladium carbenes with B(C6F5)3","Chem.Commun.","2015","51","","6206","","10.1039/C5cc00868A","","","0.71073","MoKα","","0.0575","0.0492","","","0.127","0.1325","","","","","","1.065","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116885","10.3975","0.0006","11.144","0.0006","13.6268","0.0008","113.777","0.0006","91.585","0.0006","102.55","0.0006","1398.6","0.14","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H46 O5 Si -","- C29 H46 O5 Si -","- C58 H92 O10 Si2 -","2","1","","Hideki Abe; Yuri Horii; Megumi Hagiwara; Toyoharu Kobayashi; Hisanaka Ito","Stereoselective synthesis of a highly oxygenated decahydrocyclopenta[g]chromene derivative: the common tricyclic framework of leucosceptrine and leucosesterterpenone","Chem.Commun.","2015","51","","6108","","10.1039/C5cc00879D","","","0.71073","MoKα","","0.0369","0.0332","","","0.082","0.085","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116886","14.3956","0.0004","15.2219","0.0004","18.5435","0.0005","88.65","0.002","74.452","0.001","85.197","0.002","3900.96","0.18","138","2","138","2","","","","","","","","5","P -1","-P 1","2","DTBP","trisphenolate magnesiate","","- C74 H127 Cl3 Mg3 O11 -","- C74 H127 Cl3 Mg3 O11 -","- C148 H254 Cl6 Mg6 O22 -","2","1","","Baofei Pan; Junjie Zhang; Jinhua Huang; John T. Vaughey; Lu Zhang; Sang-Don Han; Anthony K. Burrell; Zhengcheng Zhang; Chen Liao","A Lewis acid-free and phenolate-based magnesium electrolyte for rechargeable magnesium batteries","Chem.Commun.","2015","51","","6214","","10.1039/C5cc01225B","","","0.71073","MoKα","","0.307","0.0795","","","0.1668","0.27","","","","","","0.805","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116887","10.3981","0.0008","10.4368","0.0008","15.4169","0.0012","78.123","0.005","81.589","0.005","61.978","0.005","1442.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","2","","Wen-Zhen Zhang; Tian Xia; Xu-Tong Yang; Xiao-Bing Lu","Synthesis of oxazolidine-2,4-diones by a tandem phosphorus-mediated carboxylative condensation-cyclization reaction using atmospheric carbon dioxide","Chem.Commun.","2015","51","","6175","","10.1039/C5cc01530H","","","0.71073","MoKα","","0.1036","0.0495","","","0.1241","0.1528","","","","","","1","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116888","10.5146","0.0003","11.1198","0.0003","18.1537","0.0005","73.905","0.002","80.721","0.002","89.893","0.002","2010.6","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","2","","Jing Wang; Dekun Qin; Jingbo Lan; Yangyang Cheng; Shuai Zhang; Qiang Guo; Jie Wu; Di Wu; Jingsong You","Rh-catalysed direct cyclisation of 1,4-naphthoquinone and 9,10-phenanthraquinone with alkyne: facile access to 1,8-dioxapyrenes and 1,12-dioxaperylenes as orange and red-emitting luminophores","Chem.Commun.","2015","51","","6337","","10.1039/C5cc00312A","","x-ray","1.54184","CuKα","","0.0575","0.0516","","","0.1441","0.1538","","","","","","1.029","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7116889","13.186","0.003","14.909","0.003","12.985","0.003","90","","110.29","0.03","90","","2394.3","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 2p","","- C29 H31 N O3 -","- C29 H31 N O3 -","- C116 H124 N4 O12 -","4","1","","Kai Zhang; Hang Wang; Jingfeng Zheng; Lei Yu; Hanfeng Ding","Hypervalent iodine mediated alkene difunctionalization of vinylphenols: diastereoselective synthesis of substituted indoles and indolizines","Chem.Commun.","2015","51","","6399","","10.1039/C5cc00441A","","","0.71073","MoKα","","0.1351","0.0788","","","0.2067","0.3089","","","","","","1.129","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116890","9.2263","0.0007","11.3952","0.0005","12.1843","0.0009","99.988","0.005","101.997","0.006","95.944","0.005","1221.01","0.15","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Br N2 S -","- C29 H23 Br N2 S -","- C58 H46 Br2 N4 S2 -","2","1","","Ying Zhang; Jun-Hao Wang; Ji Zheng; Dan Li","A Br-substituted phenanthroimidazole derivative with aggregation induced emission from intermolecular halogen-hydrogen interactions","Chem.Commun.","2015","51","","6350","","10.1039/C5cc00490J","","","0.71073","MoKα","","0.0761","0.0513","","","0.1284","0.1497","","","","","","1.017","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116891","8.6586","0.0003","22.4244","0.0008","12.0588","0.0004","90","","100.455","0.003","90","","2302.51","0.14","298","2","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 S -","- C29 H24 N2 S -","- C116 H96 N8 S4 -","4","1","","Ying Zhang; Jun-Hao Wang; Ji Zheng; Dan Li","A Br-substituted phenanthroimidazole derivative with aggregation induced emission from intermolecular halogen-hydrogen interactions","Chem.Commun.","2015","51","","6350","","10.1039/C5cc00490J","","","0.71073","MoKα","","0.1199","0.0912","","","0.2799","0.3142","","","","","","1.041","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116892","11.5552","0.0003","11.6532","0.0004","11.9655","0.0004","77.69","0.001","68.849","0.002","63.172","0.002","1338.48","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl N O9 -","- C28 H28 Cl N O9 -","- C56 H56 Cl2 N2 O18 -","2","1","","Marie Cordier; Aurelie Dos Santos; Laurent El Kaim; Noisette Narboni","Passerini/Tsuji-Trost strategies towards achieving lactams and cyclopentane derivatives","Chem.Commun.","2015","51","","6411","","10.1039/C5cc00584A","","","0.71069","MoKα","","0.0537","0.0453","","","0.1013","0.107","","","","","","1.045","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116893","10.6819","0.0017","9.4115","0.0015","17.492","0.003","90","","92.723","0.004","90","","1756.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","1","","Renhong Sun; Jun Liu; Shuang Yang; Ming Chen; Ning Sun; Haoyi Chen; Xin Xie; Xu You; Shi Li; Yuanhong Liu","Cp2TiCl2-catalyzed cis-hydroalumination of propargylic amines with Red-Al: stereoselective synthesis of Z-configured allylic amines","Chem.Commun.","2015","51","","6426","","10.1039/C5cc00950B","","","0.71073","MoKα","","0.049","0.0396","","","0.0968","0.1034","","","","","","1.043","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116894","9.6563","0.0014","9.8287","0.0014","10.6494","0.0016","64.408","0.002","74.407","0.002","73.803","0.002","862.5","0.2","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Al O4 Ti -","- C16 H26 Al O4 Ti -","- C32 H52 Al2 O8 Ti2 -","2","1","","Renhong Sun; Jun Liu; Shuang Yang; Ming Chen; Ning Sun; Haoyi Chen; Xin Xie; Xu You; Shi Li; Yuanhong Liu","Cp2TiCl2-catalyzed cis-hydroalumination of propargylic amines with Red-Al: stereoselective synthesis of Z-configured allylic amines","Chem.Commun.","2015","51","","6426","","10.1039/C5cc00950B","","","0.71073","MoKα","","0.0657","0.0384","","","0.0817","0.092","","","","","","1.023","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116895","4.5264","0.0007","13.238","0.002","14.614","0.002","85.804","0.004","82.143","0.003","84.097","0.004","861.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O3 S3 -","- C18 H16 O3 S3 -","- C36 H32 O6 S6 -","2","1","","Hai-Bin Yang; Yu-Chao Yuan; Yin Wei; Min Shi","Amine-catalyzed tunable reactions of allenoates with dithioesters: formal [4+2] and [2+2] cycloadditions for the synthesis of 2,3-dihydro-1,4-oxathiines and enantioenriched thietanes","Chem.Commun.","2015","51","","6430","","10.1039/C5cc01313E","","","0.71073","MoKα","","0.0625","0.0495","","","0.1327","0.1431","","","","","","1.037","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116896","31.687","0.003","6.2286","0.0005","23.0782","0.0019","90","","106.427","0.003","90","","4368.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C176 H216 N8 O32 S8 -","8","1","","Hai-Bin Yang; Yu-Chao Yuan; Yin Wei; Min Shi","Amine-catalyzed tunable reactions of allenoates with dithioesters: formal [4+2] and [2+2] cycloadditions for the synthesis of 2,3-dihydro-1,4-oxathiines and enantioenriched thietanes","Chem.Commun.","2015","51","","6430","","10.1039/C5cc01313E","","","0.71073","MoKα","","0.1071","0.0693","","","0.1556","0.1746","","","","","","1.11","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116897","16.3234","0.001","16.3914","0.001","18.3063","0.0011","64.293","0.0008","83.74","0.0009","83.301","0.0009","4373.8","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C212.07 H84 Cl4 O66.07 Ru11.36 -","- C212.074 H84 Cl4 O66.074 Ru11.358 -","- C212.074 H84 Cl4 O66.074 Ru11.358 -","1","0.5","","Chia-Hsiang Chen; Amineh Aghabali; Catalina Suarez; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","Synthesis and characterization of bis-triruthenium cluster derivatives of an all equatorial [60]fullerene tetramalonate","Chem.Commun.","2015","51","","6489","","10.1039/C4cc10397A","","","0.71073","MoKα","","0.0584","0.0379","","","0.08","0.0903","","","","","","1.029","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116898","22.538","0.0011","34.0435","0.0015","18.4298","0.0008","90","","92.787","0.002","90","","14124","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H40 O25 Ru3 -","- C97 H40 O25 Ru3 -","- C776 H320 O200 Ru24 -","8","2","","Chia-Hsiang Chen; Amineh Aghabali; Catalina Suarez; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","Synthesis and characterization of bis-triruthenium cluster derivatives of an all equatorial [60]fullerene tetramalonate","Chem.Commun.","2015","51","","6489","","10.1039/C4cc10397A","","","0.8266","synchrotron","","0.0433","0.0322","","","0.0786","0.0839","","","","","","1.019","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116899","9.8824","0.0007","11.548","0.0008","15.648","0.0011","89.784","0.003","76.441","0.003","75.603","0.003","1678.7","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 N2 O4 Zn -","- C37 H25 N2 O4 Zn -","- C74 H50 N4 O8 Zn2 -","2","1","","Suresh Sanda; Srinivasulu Parshamoni; Soumava Biswas; Sanjit Konar","Highly selective detection of palladium and picric acid by a luminescent MOF: a dual functional fluorescent sensor","Chem.Commun.","2015","51","","6576","","10.1039/C4cc10442K","","","0.71073","MoKα","","0.0438","0.0366","","","0.093","0.0964","","","","","","1.091","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116900","13.6222","0.0007","14.2676","0.0008","15.7854","0.0008","90","","90","","90","","3068","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 1","Ni(L1)Cl2","","- C31 H39 Cl2 N3 Ni -","- C31 H39 Cl2 N3 Ni -","- C124 H156 Cl8 N12 Ni4 -","4","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0401","0.0342","","","0.0765","0.0782","","","","","","1.019","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116901","9.787","0.0006","26.3927","0.0017","13.7739","0.0008","90","","108.906","0.003","90","","3365.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Br2 Cl2 N3 Ni -","- C32 H39 Br2 Cl2 N3 Ni -","- C128 H156 Br8 Cl8 N12 Ni4 -","4","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0429","0.0301","","","0.0653","0.07","","","","","","1.022","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116902","9.7349","0.0005","12.3308","0.0007","15.6197","0.0008","87.49","0.003","75.776","0.002","85.562","0.003","1811.45","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl N3 Ni O2 -","- C39 H47 Cl N3 Ni O2 -","- C78 H94 Cl2 N6 Ni2 O4 -","2","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0542","0.047","","","0.1257","0.1307","","","","","","1.04","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116903","9.8908","0.0013","12.3807","0.0014","15.5767","0.0018","86.987","0.003","75.727","0.005","85.167","0.004","1841","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Br N3 Ni O2 -","- C39 H47 Br N3 Ni O2 -","- C78 H94 Br2 N6 Ni2 O4 -","2","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0491","0.0388","","","0.0983","0.1019","","","","","","1.046","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116904","9.7274","0.001","14.232","0.0015","14.9719","0.0013","111.974","0.004","99.695","0.003","101.376","0.002","1816.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H49 Br N3 Ni O1.5 -","- C37 H47 Br N3 Ni O1.5 -","- C74 H94 Br2 N6 Ni2 O3 -","2","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0869","0.0549","","","0.1263","0.1421","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116905","6.2137","0.0014","16.2226","0.0036","22.6452","0.0048","90","","91.2531","0.0053","90","","2282.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(tetramethylammonium) tetrakis(μ3-4-ethinylsalicylhydroxamato-N,O,O,O',O'')-penta-copper(II) dihydrate","","- C44 H44 Cu5 N6 O14 -","- C44 H40 Cu5 N6 O14 -","- C88 H80 Cu10 N12 O28 -","2","0.5","","Christian Plenk; Jasmin Krause; Martin Beck; Eva Rentschler","Rational linkage of magnetic molecules using click chemistry","Chem.Commun.","2015","51","","6524","","10.1039/C5cc00595G","","","0.71069","MoKα","","0.0585","0.0378","","","0.1072","0.1134","","","","","","1.01","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116906","9.4049","0.0015","10.3048","0.0012","10.563","0.002","79.807","0.013","74.337","0.016","82.314","0.011","966.1","0.3","294.58","0.1","294.58","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 F3 O S -","- C23 H17 F3 O S -","- C46 H34 F6 O2 S2 -","2","1","","Dao-Qian Chen; Pin Gao; Ping-Xin Zhou; Xian-Rong Song; Yi-Feng Qiu; Xue-Yuan Liu; Yong-Min Liang","Regioselective access to CF3S-substituted dihydrofurans from homopropargylic alcohols with trifluoromethanesulfenamide","Chem.Commun.","2015","51","","6637","","10.1039/C5cc00669D","","x-ray","0.71073","MoKα","","0.0877","0.0522","","","0.1245","0.1488","","","","","","1.034","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116907","22.6217","0.0004","22.6217","0.0004","22.6217","0.0004","90","","90","","90","","11576.5","0.4","120","","120","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- C64 H82 N8 S8 -","- C64 H82 N8 S8 -","- C384 H492 N48 S48 -","6","0.25","","Yunus Zorlu; Ufuk Kumru; Umit Isci; Burcin Divrik; Erwann Jeanneau; Florian Albrieux; Yavuz Dede; Vefa Ahsen; Fabienne Dumoulin","1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties","Chem.Commun.","2015","51","","6580","","10.1039/C5cc01085C","","","0.71073","MoKα","","0.0803","0.0625","","0.1917","0.1595","0.1917","","","","","","1.0092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116908","12.7956","0.0011","17.1258","0.0015","18.8008","0.0016","112.281","0.004","91.994","0.005","94.129","0.004","3793.8","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H114 N8 S8 -","- C80 H114 N8 S8 -","- C160 H228 N16 S16 -","2","1","","Yunus Zorlu; Ufuk Kumru; Umit Isci; Burcin Divrik; Erwann Jeanneau; Florian Albrieux; Yavuz Dede; Vefa Ahsen; Fabienne Dumoulin","1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties","Chem.Commun.","2015","51","","6580","","10.1039/C5cc01085C","","","0.71073","MoKα","","0.0447","0.0372","","0.1021","0.0939","0.1021","","","","","","0.9698","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116909","11.5359","0.0011","15.7377","0.0015","23.975","0.002","90","","90","","90","","4352.6","0.7","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C192 H144 N48 O32 -","16","2","","Cheng Xu; Feng-Cheng Jia; Qun Cai; Deng-Kui Li; Zhi-Wen Zhou; An-Xin Wu","Intramolecular decarboxylative coupling as the key step in copper-catalyzed domino reaction: facile access to 2-(1,3,4-oxadiazol-2-yl)aniline derivatives","Chem.Commun.","2015","51","","6629","","10.1039/C5cc01116G","","","0.71073","MoKα","","0.0729","0.0485","","","0.1369","0.1583","","","","","","1.087","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116910","13.273","0.003","18.584","0.005","7.3811","0.0018","90","","90","","90","","1820.7","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.0789","0.0649","","","0.1447","0.1532","","","","","","1.092","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116911","7.0083","0.001","8.9587","0.0012","32.914","0.005","90","","90","","90","","2066.5","0.5","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Cl N -","- C24 H32 Cl N -","- C96 H128 Cl4 N4 -","4","1","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.0537","0.0426","","","0.1187","0.1318","","","","","","0.903","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116912","10.018","0.007","10.446","0.007","35.11","0.02","83.334","0.018","86.119","0.017","76.252","0.017","3542","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F3 N O -","- C20 H20 F3 N O -","- C160 H160 F24 N8 O8 -","8","4","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.179","0.0777","","","0.2153","0.2853","","","","","","0.94","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116913","7.085","0.002","12.661","0.004","12.767","0.004","94.479","0.005","93.887","0.006","100.786","0.006","1117.6","0.6","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 Cl N O2 -","- C21 H32 Cl N O2 -","- C42 H64 Cl2 N2 O4 -","2","1","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.1112","0.0714","","","0.1817","0.2013","","","","","","0.881","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116914","9.7108","0.0003","11.3687","0.0003","14.8851","0.0005","90","","97.059","0.003","90","","1630.85","0.09","291.89","0.1","291.89","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N2 -","- C22 H19 N2 -","- C88 H76 N8 -","4","1","","Likui Xiang; Yanning Niu; Xiaobo Pang; Xiaodong Yang; Rulong Yan","I2-catalyzed synthesis of substituted imidazoles from vinyl azides and benzylamines","Chem.Commun.","2015","51","","6598","","10.1039/C5cc01155H","","","0.71073","MoKα","","0.0694","0.0537","","","0.1282","0.1422","","","","","","1.092","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116915","8.8904","0.0006","13.0832","0.0009","19.2524","0.0011","90","","90","","90","","2239.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br N O -","- C12 H14 Br N O -","- C96 H112 Br8 N8 O8 -","8","1","","Rahul Kisan Kawade; Deepak B. Huple; Rong-Jing Lin; Rai-Shung Liu","Cu-catalyzed oxidative Povarov reactions between N-alkyl N-methylanilines and saturated oxa- and thiacycles","Chem.Commun.","2015","51","","6625","","10.1039/C5cc01287B","","","0.71073","MoKα","","0.0385","0.0257","","","0.0518","0.0581","","","","","","1.068","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116916","8.893","0.003","16.495","0.006","19.797","0.009","101.28","0.016","102.13","0.012","103.697","0.012","2664.8","1.8","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Co2 O7 -","- C16 H14 Co2 O7 -","- C96 H84 Co12 O42 -","6","3","","Pierangelo Gobbo; Tommaso Romagnoli; Stephanie M. Barbon; Jacquelyn T. Price; Jennifer Keir; Joe B. Gilroy; Mark S. Workentin","Expanding the scope of strained-alkyne chemistry: a protection-deprotection strategy via the formation of a dicobalt-hexacarbonyl complex","Chem.Commun.","2015","51","","6647","","10.1039/C5cc01522G","","","0.71073","MoKα","","0.0296","0.0231","","","0.0571","0.06","","","","","","1.046","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116917","9.074","0.003","12.983","0.006","16.699","0.005","110.879","0.017","96.205","0.008","98.023","0.009","1793.4","1.2","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Co2 O7 -","- C16 H14 Co2 O7 -","- C64 H56 Co8 O28 -","4","2","","Pierangelo Gobbo; Tommaso Romagnoli; Stephanie M. Barbon; Jacquelyn T. Price; Jennifer Keir; Joe B. Gilroy; Mark S. Workentin","Expanding the scope of strained-alkyne chemistry: a protection-deprotection strategy via the formation of a dicobalt-hexacarbonyl complex","Chem.Commun.","2015","51","","6647","","10.1039/C5cc01522G","","","0.71073","MoKα","","0.036","0.0285","","","0.0668","0.0701","","","","","","1.029","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116918","39.343","0.02","8.101","0.004","16.72","0.006","90","","110.966","0.013","90","","4976","4","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Co2 N O11 -","- C23 H17 Co2 N O11 -","- C184 H136 Co16 N8 O88 -","8","1","","Pierangelo Gobbo; Tommaso Romagnoli; Stephanie M. Barbon; Jacquelyn T. Price; Jennifer Keir; Joe B. Gilroy; Mark S. Workentin","Expanding the scope of strained-alkyne chemistry: a protection-deprotection strategy via the formation of a dicobalt-hexacarbonyl complex","Chem.Commun.","2015","51","","6647","","10.1039/C5cc01522G","","","0.71073","MoKα","","0.0672","0.036","","","0.0636","0.0724","","","","","","1.011","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116919","11.6165","0.0006","12.7592","0.0007","12.4644","0.0006","90","","90","","90","","1847.44","0.17","103","2","103","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H17 O -","- C28 H17 O -","- C112 H68 O4 -","4","0.5","","Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada","9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals","Chem.Commun.","2015","51","","6734","","10.1039/C4cc10104A","","","0.71075","MoKα","","0.1043","0.0606","","","0.1378","0.1572","","","","","","1.041","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116920","11.5782","0.0003","14.3354","0.0005","16.4867","0.0005","96.3005","0.0008","101.787","0.0011","113.704","0.0008","2395.88","0.13","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C58.5 H37.5 Cl7.5 O2 -","- C58.5 H37.5 Cl7.4998 O2 -","- C117 H75 Cl14.9996 O4 -","2","1","","Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada","9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals","Chem.Commun.","2015","51","","6734","","10.1039/C4cc10104A","","","0.71075","MoKα","","0.0793","0.0507","","","0.122","0.1397","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116921","10.6594","0.0003","21.7535","0.0007","16.0991","0.0004","90","","100.123","0.001","90","","3674.93","0.18","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 O -","- C51.994 H41 O -","- C207.976 H164 O4 -","4","1","","Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada","9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals","Chem.Commun.","2015","51","","6734","","10.1039/C4cc10104A","","","0.71075","MoKα","","0.0824","0.0646","","","0.1708","0.1832","","","","","","1.017","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116922","13.966","0.0003","19.591","0.0004","21.6636","0.0004","90","","109.308","0.001","90","","5593.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BCBP-radical","","- C57 H46 Cl15 O -","- C57 H46 Cl15 O -","- C228 H184 Cl60 O4 -","4","1","","Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada","9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals","Chem.Commun.","2015","51","","6734","","10.1039/C4cc10104A","","","0.71075","MoKα","","0.1191","0.0967","","","0.2708","0.2899","","","","","","1.08","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116923","13.153","0.0008","17.8912","0.0008","9.1269","0.0006","90","","109.86","0.007","90","","2020","0.2","294.5","0.16","294.5","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Xin-Hua Hao; Pin Gao; Xian-Rong Song; Yi-Feng Qiu; Dong-Po Jin; Xue-Yuan Liu; Yong-Min Liang","Metal-free nitro-carbocyclization of 1,6-enynes with tBuONO and TEMPO","Chem.Commun.","2015","51","","6839","","10.1039/C5cc00872G","","","0.71","MoKα","","0.0862","0.0547","","","0.1222","0.1455","","","","","","1.059","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116924","10.3488","0.0005","15.1997","0.0007","16.7191","0.0006","89.696","0.002","77.054","0.002","84.978","0.002","2552.93","0.19","163","2","163","2","","","","","","","","11","P -1","-P 1","2","","","","- C45 H40 Ag0 Cl7 F0 N5 O11 P0 Sb U Zn0 -","- C44.99 H40 Cl7 N5 O11 Sb U -","- C89.98 H80 Cl14 N10 O22 Sb2 U2 -","2","1","","Christina M. Davis; Kei Ohkubo; I-Ting Ho; Zhan Zhang; Masatoshi Ishida; Yuanyuan Fang; Vincent M. Lynch; Karl M. Kadish; Jonathan L. Sessler; Shunichi Fukuzumi","Near-infrared-induced electron transfer of an uranyl macrocyclic complex without energy transfer to dioxygen","Chem.Commun.","2015","51","","6757","","10.1039/C5cc00903K","","","0.71073","MoKα","","0.0779","0.056","","","0.1351","0.1522","","","","","","1.055","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116925","9.3767","0.0006","16.0545","0.0006","19.6816","0.0015","90","","96.784","0.005","90","","2942.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 B Fe N7 S -","- C32 H31 B Fe N7 S -","- C128 H124 B4 Fe4 N28 S4 -","4","1","","M. Sallmann; B. Braun; C. Limberg","Dioxygenation of cysteamine to hypotaurine at a tris(pyrazolyl)borate iron(II) unit - cysteamine dioxygenase mimicking?","Chem.Commun.","2015","51","","6785","","10.1039/C5cc01083G","","","0.71073","MoKα","","0.0658","0.0475","","","0.1012","0.1076","","","","","","1.086","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116926","13.2205","0.0006","13.9973","0.0008","14.9","0.0008","99.68","0.005","91.009","0.004","117.103","0.005","2405.6","0.3","122.5","0.8","122.5","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Eu2 N8 O22 -","- C36 H52 Eu2 N8 O22 -","- C72 H104 Eu4 N16 O44 -","2","1","","Yin-Ling Hou; Hang Xu; Rui-Rui Cheng; Bin Zhao","Controlled lanthanide-organic framework nanospheres as reversible and sensitive luminescent sensors for practical applications","Chem.Commun.","2015","51","","6769","","10.1039/C5cc01181G","","","0.71073","MoKα","","0.0477","0.0377","","","0.078","0.0842","","","","","","1.07","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116927","13.009","0.001","13.7701","0.0007","15.0439","0.0007","99.513","0.004","90.402","0.005","116.522","0.006","2368.1","0.3","122.2","0.1","122.2","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 N7 O22 Tb2 -","- C33 H45 N7 O22 Tb2 -","- C66 H90 N14 O44 Tb4 -","2","1","","Yin-Ling Hou; Hang Xu; Rui-Rui Cheng; Bin Zhao","Controlled lanthanide-organic framework nanospheres as reversible and sensitive luminescent sensors for practical applications","Chem.Commun.","2015","51","","6769","","10.1039/C5cc01181G","","","0.71073","MoKα","","0.1062","0.0915","","","0.2395","0.2578","","","","","","1.045","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116928","10.9173","0.0002","8.53033","0.0001","34.7268","0.0007","90","","90","","90","","3234.04","0.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 F3 N2 -","- C19 H19 F3 N2 -","- C152 H152 F24 N16 -","8","1","","Kazuki Isa; Maki Minakawa; Motoi Kawatsura","Palladium-catalyzed amination of 2,3,3-trifluoroallyl esters: synthesis of trifluoromethylenamines via an intramolecular fluorine shift and CF3 group construction","Chem.Commun.","2015","51","","6761","","10.1039/C5cc01212K","","","1.54187","CuKα","","","0.0412","","","","0.1092","","","","","","1.044","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116929","11.9476","0.0004","13.7236","0.0004","16.2518","0.0005","81.454","0.003","83.839","0.002","80.731","0.003","2591.21","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H77 Ge N O4 Si -","- C55 H77 Ge N O4 Si -","- C110 H154 Ge2 N2 O8 Si2 -","2","1","","Terrance J. Hadlington; Benedikt Schwarze; Ekaterina I. Izgorodina; Cameron Jones","Two-coordinate hydrido-germylenes","Chem.Commun.","2015","51","","6854","","10.1039/C5cc01314C","","","0.71073","MoKα","","0.0573","0.0488","","","0.1277","0.1344","","","","","","1.034","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116930","10.074","0.002","14.516","0.003","18.777","0.004","109.23","0.03","96.79","0.03","97.99","0.03","2527.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Ge N O3 Si -","- C50 H66 Ge N O3 Si -","- C100 H132 Ge2 N2 O6 Si2 -","2","1","","Terrance J. Hadlington; Benedikt Schwarze; Ekaterina I. Izgorodina; Cameron Jones","Two-coordinate hydrido-germylenes","Chem.Commun.","2015","51","","6854","","10.1039/C5cc01314C","","","0.7109","Synchrotron","","0.0747","0.0716","","","0.2077","0.2099","","","","","","1.054","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116931","10.7047","0.0005","21.7462","0.0009","17.079","0.0007","90","","92.615","0.002","90","","3971.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Ge N O3 Si -","- C45 H54 Ge N O3 Si -","- C180 H216 Ge4 N4 O12 Si4 -","4","1","","Terrance J. Hadlington; Benedikt Schwarze; Ekaterina I. Izgorodina; Cameron Jones","Two-coordinate hydrido-germylenes","Chem.Commun.","2015","51","","6854","","10.1039/C5cc01314C","","","0.71073","MoKα","","0.1783","0.0772","","","0.1675","0.211","","","","","","1.017","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116932","12.369","0.003","21.768","0.004","14.724","0.003","90","","96.32","0.03","90","","3940.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 N O3 Si -","- C45 H55 N O3 Si -","- C180 H220 N4 O12 Si4 -","4","1","","Terrance J. Hadlington; Benedikt Schwarze; Ekaterina I. Izgorodina; Cameron Jones","Two-coordinate hydrido-germylenes","Chem.Commun.","2015","51","","6854","","10.1039/C5cc01314C","","","0.7109","Synchrotron","","0.0537","0.053","","","0.1345","0.135","","","","","","1.052","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116933","11.531","0.002","24.287","0.005","17.056","0.003","90","","98.37","0.03","90","","4725.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 Li N O5 Si -","- C53 H70 Li N O5 Si -","- C212 H280 Li4 N4 O20 Si4 -","4","1","","Terrance J. Hadlington; Benedikt Schwarze; Ekaterina I. Izgorodina; Cameron Jones","Two-coordinate hydrido-germylenes","Chem.Commun.","2015","51","","6854","","10.1039/C5cc01314C","","","0.7109","Synchrotron","","0.0865","0.0654","","","0.1684","0.1841","","","","","","1.054","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116934","18.889","0.002","7.1199","0.0008","18.6541","0.0019","90","","104.646","0.011","90","","2427.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C128 H104 N8 O8 -","4","1","","Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen","Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols","Chem.Commun.","2015","51","","6777","","10.1039/C5cc01412C","","","0.71073","MoKα","","0.1145","0.0791","","","0.186","0.2093","","","","","","1.059","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116935","11.0719","0.001","11.9763","0.0011","12.7664","0.0009","95.06","0.007","92.632","0.006","117.362","0.009","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 N2 -","- C42 H30 N2 -","- C84 H60 N4 -","2","1","","Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen","Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols","Chem.Commun.","2015","51","","6777","","10.1039/C5cc01412C","","","0.71073","MoKα","","0.0915","0.0681","","","0.152","0.1634","","","","","","1.134","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116936","9.6401","0.0019","11.069","0.002","12.562","0.003","82.69","0.03","77.98","0.03","83.72","0.03","1295.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.3 H25.6 Cl0.6 N4 O2 Rh -","- C30.3 H25.6 Cl0.6 N4 O2 Rh -","- C60.6 H51.2 Cl1.2 N8 O4 Rh2 -","2","1","","Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen","Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols","Chem.Commun.","2015","51","","6777","","10.1039/C5cc01412C","","","0.71073","MoKα","","0.0727","0.0505","","","0.1225","0.1693","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116937","8.8053","0.0004","11.2771","0.001","12.0975","0.0013","67.401","0.009","89.113","0.007","83.151","0.006","1100.51","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 Cl N2 -","- C30 H21 Cl N2 -","- C60 H42 Cl2 N4 -","2","1","","Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen","Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols","Chem.Commun.","2015","51","","6777","","10.1039/C5cc01412C","","","0.71073","MoKα","","0.0764","0.063","","","0.1664","0.1778","","","","","","1.061","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116938","9.9489","0.0005","17.1959","0.0006","14.4905","0.0008","90","","109.121","0.006","90","","2342.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O -","- C32 H26 N2 O -","- C128 H104 N8 O4 -","4","1","","Ting Li; Zhen Wang; Mingliang Zhang; Hui-Jun Zhang; Ting-Bin Wen","Rh/Cu-catalyzed multiple C-H, C-C, and C-N bond cleavage: facile synthesis of pyrido[2,1-a]indoles from 1-(pyridin-2-yl)-1H-indoles and gamma-substituted propargyl alcohols","Chem.Commun.","2015","51","","6777","","10.1039/C5cc01412C","","","0.71","MoKα","","0.1082","0.0927","","","0.3069","0.3157","","","","","","2.317","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116939","14.2192","0.00013","14.2192","0.00013","51.1145","0.0009","90","","90","","120","","8950","0.2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","Tetrakis triphenylphosphane silver(I) perrhenate(VII)","Tetrakis triphenylphosphane silver(I) perrhenate(VII)","","- C72 H60 Ag O4 P4 Re -","- C72 H60 Ag O4 P4 Re -","- C432 H360 Ag6 O24 P24 Re6 -","6","0.666667","","F. Deiser; F. Kraus; H. Schmidbaur","Bis(triphenylphosphine)silver(I) perrhenate, a cyclic dimer","Chem.Commun.","2015","51","","6746","","10.1039/C5cc01446H","","","0.71073","MoKα","","0.0954","0.0506","","","0.128","0.1408","","","","","","0.922","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116940","12.1764","0.0004","12.4966","0.0003","13.2647","0.0005","89.938","0.002","62.745","0.003","68.528","0.002","1635.6","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Bis(triphenylphosphine) silver(I) perrhenate(VII)","Bis(triphenylphosphine) silver(I) perrhenate(VII)","","- C72 H60 Ag2 O8 P4 Re2 -","- C72 H60 Ag2 O8 P4 Re2 -","- C72 H60 Ag2 O8 P4 Re2 -","1","0.5","","F. Deiser; F. Kraus; H. Schmidbaur","Bis(triphenylphosphine)silver(I) perrhenate, a cyclic dimer","Chem.Commun.","2015","51","","6746","","10.1039/C5cc01446H","","","0.71073","MoKα","","0.1117","0.0403","","","0.0747","0.0846","","","","","","0.776","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116941","15.627","0.002","13.4083","0.0019","15.769","0.002","90","","110.208","0.008","90","","3100.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2R*,6S*,Z)-6-hydroxy-6-(4-methoxyphenyl)-N-tosyl-2-(triisopropylsilyloxy)hex-3-enamide","","- C28.84 H42.57 N O6 S Si -","- C28.844 H42.584 N O6 S Si -","- C115.376 H170.336 N4 O24 S4 Si4 -","4","1","","Urszula K. Klimczak; Bartosz K. Zambron","Effective 1,5-stereocontrol in Pd(0)/InI promoted reactions of chiral N-Ts-4-vinylazetidin-2-ones with aldehydes. An efficient entry into nonracemic semi-protected (3Z)-2,6-anti-enediols","Chem.Commun.","2015","51","","6796","","10.1039/C5cc01485A","","","1.54178","CuKα","","0.1831","0.1077","","","0.3289","0.3733","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116942","20.9259","0.001","20.9259","0.001","9.6322","0.0005","90","","90","","90","","4217.9","0.4","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C22 H12 K N9 O1.94 -","- C22 H12 K N9 O1.936 -","- C176 H96 K8 N72 O15.488 -","8","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","","","0.71073","MoKα","","0.1356","0.0879","","","0.2505","0.2823","","","","","","1.058","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116943","20.904","0.011","15.931","0.01","9.711","0.005","90","","104.65","0.03","90","","3129","3","298","","298","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C22 K N9 O2 -","- C22 K N9 O2 -","- C88 K4 N36 O8 -","4","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","powder diffraction","","1.5406","CuK_alpharadiation","","0.01443","","","","","","0.00953","0.01002","0.6594","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116944","20.656","0.006","15.978","0.004","16.801","0.01","90","","100.68","0.03","90","","5449","4","298","","298","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C22 K N9 O6 -","- C22 K N9 O6 -","- C88 K4 N36 O24 -","4","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","powder diffraction","","1.4639","synchrotron","","0.00499","","","","","","0.00497","0.00455","0.6428","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116945","24.131","0.005","19.458","0.002","16.672","0.004","90","","122.52","0.02","90","","6601","3","298","","298","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C22 K N9 O8.5 -","- C22 K N9 O8.5 -","- C88 K4 N36 O34 -","4","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","powder diffraction","","1.4639","synchrotron","","0.10199","","","","","","0.10349","0.06738","1.001","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116946","15.005","0.003","12.061","0.002","18.219","0.004","90","","90","","90","","3297.2","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O -","- C10 H9 N O -","- C160 H144 N16 O16 -","16","2","","Yanli Xu; Weigao Hu; Xiaodong Tang; Jinwu Zhao; Wanqing Wu; Huanfeng Jiang","Palladium-catalyzed Csp2-H carbonylation of aromatic oximes: selective access to benzo[d][1,2]oxazin-1-ones and 3-methyleneisoindolin-1-ones","Chem.Commun.","2015","51","","6843","","10.1039/C5cc01661D","","","0.71073","MoKα","","0.1023","0.0572","","","0.1529","0.189","","","","","","0.954","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116947","28.973","0.002","28.973","0.002","28.973","0.002","90","","90","","90","","24321","3","250","2","250","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C10 H18 B16 Cu O5 -","- C10 H18 B16 Cu O5 -","- C120 H216 B192 Cu12 O60 -","12","0.25","","Clingerman, Daniel J.; Morris, William; Mondloch, Joseph E.; Kennedy, Robert D.; Sarjeant, Amy A.; Stern, Charlotte; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Stabilization of a highly porous metal-organic framework utilizing a carborane-based linker.","Chemical communications (Cambridge, England)","2015","51","30","6521","6523","10.1039/c4cc09212k","","","1.54178","CuKα","","0.1552","0.1208","","","0.3451","0.3726","","","","","","2.359","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116948","11.9932","0.0007","19.6594","0.001","12.4615","0.0006","90","","118.684","0.003","90","","2577.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 B24 -","- C12 H30 B24 -","- C48 H120 B96 -","4","1","","Clingerman, Daniel J.; Morris, William; Mondloch, Joseph E.; Kennedy, Robert D.; Sarjeant, Amy A.; Stern, Charlotte; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Stabilization of a highly porous metal-organic framework utilizing a carborane-based linker.","Chemical communications (Cambridge, England)","2015","51","30","6521","6523","10.1039/c4cc09212k","","","1.54178","CuKα","","0.0468","0.0399","","","0.105","0.1104","","","","","","1.041","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116949","12.281","0.003","12.919","0.003","30.425","0.006","94.65","0.03","93.93","0.03","92.4","0.03","4794.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H63 Mn3 N12 O12 -","- C75 H63 Mn3 N12 O12 -","- C150 H126 Mn6 N24 O24 -","2","1","","Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.","Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.","Chemical communications (Cambridge, England)","2015","51","25","5486","5489","10.1039/c4cc09639h","","","0.71073","Synchrotron","","0.0881","0.0585","","","0.1461","0.1563","","","","","","0.964","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116950","12.338","0.003","33.33","0.007","25.857","0.005","90","","97.45","0.03","90","","10543","4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C77 H69 Cl5.25 Mn5.5 N13 O16.5 -","- C77 H69 Cl5.25 Mn5.5 N13 O16.5 -","- C308 H276 Cl21 Mn22 N52 O66 -","4","1","","Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.","Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.","Chemical communications (Cambridge, England)","2015","51","25","5486","5489","10.1039/c4cc09639h","","","0.71073","Synchrotron","","0.1379","0.1187","","","0.3126","0.3259","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116951","12.355","0.003","33.452","0.007","12.952","0.003","90","","97.63","0.03","90","","5306","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C37.5 H33 Cl Mn2 N6 O7.5 -","- C37.5 H33 Cl Mn2 N6 O7.5 -","- C150 H132 Cl4 Mn8 N24 O30 -","4","1","","Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.","Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.","Chemical communications (Cambridge, England)","2015","51","25","5486","5489","10.1039/c4cc09639h","","","0.71073","Synchrotron","","0.1099","0.089","","","0.2462","0.2636","","","","","","1.029","","","","has coordinates,has disorder","192775","2020-10-21","18:00:00",""
"7116952","5.9906","0.0006","15.7335","0.0018","21.9353","0.0019","90","","90","","90","","2067.5","0.4","296","2","296","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","unk","","- C21 H22 N4 O4 -","- C21 H22 N4 O4 -","- C84 H88 N16 O16 -","4","1","","Bag, Subhendu Sekhar; Jana, Subhashis; Yashmeen, Afsana; De, Suranjan","Triazolo-β-aza-ε-amino acid and its aromatic analogue as novel scaffolds for β-turn peptidomimetics.","Chemical communications (Cambridge, England)","2015","51","25","5242","5245","10.1039/c4cc08414d","","x-ray","0.71073","MoKα","","0.0877","0.0501","","","0.1086","0.1248","","","","","","0.973","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116960","9.5863","0.0004","13.8917","0.0007","20.1426","0.0008","83.305","0.004","76.31","0.004","81.1","0.004","2565.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","triazolophane","","","- C26 H28 N8 O2 -","- C26 H28 N8 O2 -","- C104 H112 N32 O8 -","4","2","","Haridas, V.; Sapala, Appa Rao; Jasinski, Jerry P.","Self-assembling triazolophanes: from croissants through donuts to spherical vesicles","Chemical Communications (Cambridge, United Kingdom)","2015","51","32","6905","6908","10.1039/c4cc09587a","","","1.54184","CuKα","","0.0913","0.0738","","","0.1947","0.2114","","","","","","1.026","","","","has coordinates","211006","2020-10-21","18:00:00",""
"7116961","8.6884","0.0008","19.6749","0.0018","25.149","0.002","90","","90","","90","","4299.1","0.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 O13 S3 -","- C42 H44 N4 O13 S3 -","- C168 H176 N16 O52 S12 -","4","1","","Zhiyuan Hu; Rory L. Arrowsmith; James A. Tyson; Vincenzo Mirabello; Haobo Ge; Ian M. Eggleston; Stanley W. Botchway; G. Dan Pantos; Sofia I. Pascu","A fluorescent Arg-Gly-Asp (RGD) peptide-naphthalenediimide (NDI) conjugate for imaging integrin alpha-v-beta3in vitro","Chem.Commun.","2015","51","","6901","","10.1039/C4cc08265F","","","0.6904","MoKα","","0.1203","0.0529","","0.0905","0.0569","0.0569","","","","","","1.1079","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116963","32.7165","0.0001","32.7165","0.0001","32.7165","0.0001","90","","90","","90","","35018.7","0.19","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","ZrDMTD","","- C120 H76 O36 S12 Zr6 -","- C120 H76 O36 S12 Zr6 -","- C480 H304 O144 S48 Zr24 -","4","0.0208333","","Bo Gui; Ka-Kit Yee; Yan-Lung Wong; Shek-Man Yiu; Matthias Zeller; Cheng Wang; Zhengta Xu","Tackling poison and leach: catalysis by dangling thiol-palladium functions within a porous metal-organic solid","Chem.Commun.","2015","51","","6917","","10.1039/C5cc00140D","","","1.54178","CuKα","","0.0851","0.0767","","","0.2378","0.2569","","","","","","1.3","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116964","16.1963","0.0011","12.2535","0.0008","16.3252","0.0011","90","","94.689","0.001","90","","3229.1","0.4","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 Cl2 N4 Ni2 -","- C72 H80 Cl2 N4 Ni2 -","- C144 H160 Cl4 N8 Ni4 -","2","0.5","","Wei Gao; Lan Xin; Zhiqiang Hao; Guodong Li; Ji-Hu Su; Lijing Zhou; Ying Mu","The ligand redox behavior and role in 1,2-bis[(2,6-diisopropylphenyl)imino]-acenaphthene nickel-TMA(MAO) systems for ethylene polymerization","Chem.Commun.","2015","51","","7004","","10.1039/C5cc00582E","","","0.71073","MoKα","","0.0655","0.0423","","","0.093","0.1033","","","","","","1.012","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116965","11.2339","0.0015","13.5323","0.0018","19.012","0.003","72.179","0.002","88.564","0.002","84.99","0.002","2741","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H63 Cl N2 Ni P -","- C64.5 H63 Cl N2 Ni P -","- C129 H126 Cl2 N4 Ni2 P2 -","2","1","","Wei Gao; Lan Xin; Zhiqiang Hao; Guodong Li; Ji-Hu Su; Lijing Zhou; Ying Mu","The ligand redox behavior and role in 1,2-bis[(2,6-diisopropylphenyl)imino]-acenaphthene nickel-TMA(MAO) systems for ethylene polymerization","Chem.Commun.","2015","51","","7004","","10.1039/C5cc00582E","","","0.71073","MoKα","","0.1071","0.0763","","","0.1714","0.1895","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116966","13.7598","0.0011","18.9444","0.0015","14.2281","0.0011","90","","90","","90","","3708.9","0.5","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 Al Br2 N2 Ni -","- C38 H46 Al Br2 N2 Ni -","- C152 H184 Al4 Br8 N8 Ni4 -","4","0.5","","Wei Gao; Lan Xin; Zhiqiang Hao; Guodong Li; Ji-Hu Su; Lijing Zhou; Ying Mu","The ligand redox behavior and role in 1,2-bis[(2,6-diisopropylphenyl)imino]-acenaphthene nickel-TMA(MAO) systems for ethylene polymerization","Chem.Commun.","2015","51","","7004","","10.1039/C5cc00582E","","","0.71073","MoKα","","0.0514","0.0343","","","0.0823","0.0905","","","","","","1.015","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116967","5.2561","0.0011","9.121","0.002","24.027","0.005","90","","90","","90","","1151.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.073","0.0555","","","0.1338","0.1431","","","","","","1.052","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116968","9.2045","0.001","16.8399","0.0017","22.397","0.002","90","","90.064","0.004","90","","3471.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 -","- C54 H32 -","- C216 H128 -","4","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.1572","0.0887","","","0.1815","0.2101","","","","","","1.06","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7116969","7.6054","0.0002","18.7609","0.0006","21.2252","0.0008","72.252","0.002","84.027","0.002","87.9","0.002","2868.66","0.16","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C78 H81.4 -","- C78 H81.4 -","- C156 H162.8 -","2","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.1053","0.0603","","","0.1406","0.1644","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116970","9.3755","0.0006","26.1158","0.0014","20.0039","0.0014","90","","101.625","0.002","90","","4797.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66.15 H56.83 Cl0.45 -","- C66.15 H56.835 Cl0.45 -","- C264.6 H227.34 Cl1.8 -","4","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.1286","0.0769","","","0.2148","0.2486","","","","","","1.056","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116971","10.1459","0.0004","14.0677","0.0006","15.4819","0.0007","66.782","0.001","77.518","0.002","85.704","0.002","1982.63","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C62 H36 -","- C62 H36 -","- C124 H72 -","2","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.0763","0.0538","","","0.1433","0.1594","","","","","","1.036","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116972","47.051","0.002","9.3095","0.0005","27.9099","0.0013","90","","125.063","0.002","90","","10006.5","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Cl4 -","- C68 H54 Cl4 -","- C544 H432 Cl32 -","8","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.0915","0.0677","","","0.1859","0.2041","","","","","","1.014","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116973","9.2441","0.0003","9.4374","0.0003","11.5116","0.0004","81.533","0.003","81.481","0.003","87.419","0.003","982.09","0.06","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C44 H56 O6 S2 -","- C44 H56 O6 S2 -","- C44 H56 O6 S2 -","1","0.5","","Michal Hucko; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","2,14-Dithiacalix[4]arene and its homooxa analogues: synthesis and dynamic NMR study of conformational behaviour","Chem.Commun.","2015","51","","7051","","10.1039/C5cc00819K","","","1.5418","CuKα","","0.0453","0.0394","","0.089","0.084","0.089","","","","","","0.9214","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116974","13.3707","0.0002","18.8446","0.0003","16.9728","0.0003","90","","107.545","0.0016","90","","4077.62","0.12","120","","120","","","","101","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C43 H54 O5 S2 -","- C43 H54 O5 S2 -","- C172 H216 O20 S8 -","4","1","","Michal Hucko; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","2,14-Dithiacalix[4]arene and its homooxa analogues: synthesis and dynamic NMR study of conformational behaviour","Chem.Commun.","2015","51","","7051","","10.1039/C5cc00819K","","","1.5418","CuKα","","0.058","0.0475","","0.0979","0.0882","0.0979","","","","","","0.9644","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116975","27.745","0.009","27.745","0.009","6.4943","0.0014","90","","90","","90","","4999","3","293","","293","","","","","","","","see text","4","I 41/a :2","-I 4ad","88","","","","- C32 H30 N O -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","0.5","","Subham Bhattacharjee; Santanu Bhattacharya","Role of synergistic pi-pi stacking and X-H^...^Cl (X = C, N, O) H-bonding interactions in gelation and gel phase crystallization","Chem.Commun.","2015","51","","7019","","10.1039/C5cc00930H","","x-ray","0.71073","MoKα","","0.1714","0.0668","","","0.1669","0.1993","","","","","","0.953","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116976","9.7572","0.0005","11.9316","0.0006","13.8051","0.0007","89.961","0.004","102.504","0.004","110.06","0.005","1469.11","0.14","110","1","110","1","","","","","","","see text","5","P -1","-P 1","2","","C4PyH","","- C30 H40 Cl2.08 N2 O3 -","- C30 H40 Cl2.075 N2 O3 -","- C60 H80 Cl4.15 N4 O6 -","2","1","","Subham Bhattacharjee; Santanu Bhattacharya","Role of synergistic pi-pi stacking and X-H^...^Cl (X = C, N, O) H-bonding interactions in gelation and gel phase crystallization","Chem.Commun.","2015","51","","7019","","10.1039/C5cc00930H","","x-ray","0.71073","MoKα","","0.1132","0.0858","","","0.2076","0.2257","","","","","","1.037","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116977","26.8782","0.0011","8.2244","0.0003","19.4674","0.0008","90","","132.644","0.0012","90","","3165.5","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","6-methyl-8-(4-methylphenylsulfonamido)quinoline N-oxide","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C136 H128 N16 O24 S8 -","8","1","","Jisu Jeong; Donggun Lee; Sukbok Chang","Copper-catalyzed oxygen atom transfer of N-oxides leading to a facile deoxygenation procedure applicable to both heterocyclic and amine N-oxides","Chem.Commun.","2015","51","","7035","","10.1039/C5cc01739D","","","0.71073","MoKα","","0.0386","0.035","","","0.0992","0.1031","","","","","","1.06","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116978","11.296","0.012","13.615","0.014","11.516","0.012","90","","105.89","0.02","90","","1703","3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 12-formyl-2-(trifluoromethyl)-5,6-dihydropyrazolo (5',1':3,4) pyrazino [1,2-a] indole-1-carboxylate","","- C18 H14 F3 N3 O3 -","- C18 H14 F3 N3 O3 -","- C72 H56 F12 N12 O12 -","4","1","","Devalina Ray; T. Manikandan; Arup Roy; Krishna N. Tripathi; Ravi P. Singh","Ligand-promoted intramolecular dehydrogenative cross-coupling using a Cu catalyst: direct access to polycyclic heteroarenes","Chem.Commun.","2015","51","","7065","","10.1039/C5cc01817J","","","0.71073","MoKα","","0.1032","0.076","","","0.1505","0.1624","","","","","","1.077","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7116979","11.222","0.002","12.458","0.003","13.769","0.003","90","","91.055","0.011","90","","1924.6","0.7","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-benzoylthiazolidin-2-one","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.","Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7116","7119","10.1039/c4cc09921d","","","0.71073","MoKα","","0.0796","0.0505","","","0.1101","0.1295","","","","","","1.152","","","","has coordinates","210983","2020-10-21","18:00:00",""
"7116980","13.7485","0.0007","5.436","0.0003","25.063","0.0012","90","","90","","90","","1873.13","0.17","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","phenyl(2-thioxooxazolidin-3-yl)methanone","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Perez, Christian; Monserrat, Jean-Philippe; Chen, Yao; Cohen, Seth M.","Exploring hydrogen peroxide responsive thiazolidinone-based prodrugs","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7116","7119","10.1039/c4cc09921d","","","0.71073","MoKα","","0.0498","0.0463","","","0.1121","0.1152","","","","","","1.073","","","","has coordinates","210983","2020-10-21","18:00:00",""
"7116981","11.279","0.0006","16.1962","0.0008","17.5843","0.0009","90","","90","","90","","3212.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 N O3 P2 -","- C39 H29 N O3 P2 -","- C156 H116 N4 O12 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0513","0.0421","","","0.1054","0.112","","","","","","1.042","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116982","11.281","0.0005","16.1001","0.0008","17.7437","0.0007","90","","90","","90","","3222.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 N O4 P2 -","- C39 H29 N O4 P2 -","- C156 H116 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0982","0.0586","","","0.0989","0.112","","","","","","0.964","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116983","11.1755","0.0011","15.95","0.002","18.117","0.002","90","","90","","90","","3229.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N O4 P2 -","- C40 H31 N O4 P2 -","- C160 H124 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.1305","0.0765","","","0.1258","0.1471","","","","","","1.043","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116984","9.9475","0.0003","13.0705","0.0005","14.9853","0.0005","106.24","0.003","94.143","0.003","110.585","0.003","1719.37","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Cl N O4 P2 -","- C40 H30 Cl N O4 P2 -","- C80 H60 Cl2 N2 O8 P4 -","2","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","1.54184","CuKα","","0.0495","0.0435","","","0.1191","0.1252","","","","","","1.031","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116985","11.5145","0.0007","13.3968","0.0008","14.6374","0.0009","86.833","0.005","75.632","0.005","87.59","0.005","2183","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Br Cl6 N O4 P2 -","- C42 H32 Br Cl6 N O4 P2 -","- C84 H64 Br2 Cl12 N2 O8 P4 -","2","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.1053","0.0729","","","0.2028","0.2226","","","","","","1.063","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116986","11.335","0.0006","17.7472","0.0012","16.1457","0.0008","90","","90","","90","","3247.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0651","0.0564","","","0.1529","0.161","","","","","","1.033","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116987","11.3101","0.001","17.7378","0.0017","16.0426","0.0014","90","","90","","90","","3218.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0581","0.0487","","","0.1275","0.1354","","","","","","1.04","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116988","9.7782","0.0006","12.6735","0.0007","15.218","0.0009","72.422","0.005","88.076","0.005","69.077","0.005","1673.42","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl N O4 P2 -","- C39 H33 Cl N O4 P2 -","- C78 H66 Cl2 N2 O8 P4 -","2","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0726","0.0534","","","0.1409","0.1545","","","","","","1.061","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116989","11.326","0.002","15.94","0.003","17.593","0.003","90","","90","","90","","3176.2","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0405","0.0402","","","0.1076","0.1079","","","","","","1.084","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116990","15.3114","0.0018","12.9392","0.0015","10.8302","0.0012","90","","102.639","0.002","90","","2093.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Lijun Shi; Xiang Zhong; Houde She; Ziqiang Lei; Fuwei Li","Manganese catalyzed C-H functionalization of indoles with alkynes to synthesize bis/trisubstituted indolylalkenes and carbazoles: the acid is the key to control selectivity","Chem.Commun.","2015","51","","7136","","10.1039/C5cc00249D","","","0.71073","MoKα","","0.0531","0.0412","","","0.1287","0.1428","","","","","","0.997","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116991","11.7689","0.0018","10.7605","0.0016","13.511","0.002","90","","107.25","0.003","90","","1634.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Mn N3 O4 -","- C17 H10 Mn N3 O4 -","- C68 H40 Mn4 N12 O16 -","4","1","","Lijun Shi; Xiang Zhong; Houde She; Ziqiang Lei; Fuwei Li","Manganese catalyzed C-H functionalization of indoles with alkynes to synthesize bis/trisubstituted indolylalkenes and carbazoles: the acid is the key to control selectivity","Chem.Commun.","2015","51","","7136","","10.1039/C5cc00249D","","","0.71073","MoKα","","0.0478","0.0379","","","0.1122","0.1218","","","","","","1.02","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116992","9.009","0.0005","12.9189","0.0008","14.1739","0.001","90","","90","","90","","1649.65","0.18","294.12","0.1","294.12","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B10 -","- C12 H22 B10 -","- C48 H88 B40 -","4","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.1265","0.0736","","","0.174","0.2084","","","","","","1.068","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116993","7.3151","0.0004","13.218","0.0006","19.6674","0.0009","90","","93.078","0.005","90","","1898.92","0.16","293.93","0.1","293.93","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 B10 O2 -","- C13 H24 B10 O2 -","- C52 H96 B40 O8 -","4","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.1162","0.0694","","","0.1663","0.2026","","","","","","1.058","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116994","24.2272","0.0013","13.0711","0.0006","23.5734","0.001","90","","108.334","0.005","90","","7086.2","0.6","294.29","0.1","294.29","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C192 H352 B160 O16 -","16","2","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.2095","0.1112","","","0.2992","0.3787","","","","","","1.035","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116995","24.322","0.005","8.2628","0.0008","15.382","0.003","90","","90","","90","","3091.3","0.9","294.17","0.1","294.17","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B10 -","- C10 H20 B10 -","- C80 H160 B80 -","8","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.2706","0.1195","","","0.3209","0.4433","","","","","","1.044","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116996","7.0474","0.0004","19.9445","0.0012","13.4339","0.0006","90","","94.295","0.005","90","","1882.92","0.18","294.29","0.1","294.29","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 B10 O2 -","- C13 H24 B10 O2 -","- C52 H96 B40 O8 -","4","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.1343","0.0877","","","0.2482","0.3002","","","","","","1.041","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116997","10.963","0.002","10.985","0.002","15.643","0.003","94.45","0.03","104.45","0.03","119.51","0.03","1542","0.8","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 Cl4 N6 O4 -","- C70 H66 Cl4 N6 O4 -","- C70 H66 Cl4 N6 O4 -","1","0.5","","Chenhao Zhang; Ke Shi; Kang Cai; Jiajun Xie; Ting Lei; Qifan Yan; Jie-Yu Wang; Jian Pei; Dahui Zhao","Cyano- and chloro-substituted coronene diimides as solution-processable electron-transporting semiconductors","Chem.Commun.","2015","51","","7144","","10.1039/C5cc01668A","","","0.71073","MoKα","","0.1039","0.0937","","","0.27","0.2784","","","","","","1.809","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116998","8.8947","0.0005","12.7255","0.0008","15.2825","0.0009","78.686","0.003","73.993","0.003","70.48","0.003","1556.81","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 As Cl2 N Si -","- C36 H36 As Cl2 N Si -","- C72 H72 As2 Cl4 N2 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0478","0.0379","","","0.0825","0.0863","","","","","","1.047","","","","has coordinates,has disorder","180283","2020-10-21","18:00:00",""
"7116999","10.1762","0.0006","11.2391","0.0008","15.5145","0.0008","95.865","0.005","95.903","0.005","100.813","0.005","1720.21","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Br2 N Sb Si -","- C38 H40 Br2 N Sb Si -","- C76 H80 Br4 N2 Sb2 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0363","0.0274","","","0.0581","0.0619","","","","","","1.028","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7117000","10.104","0.002","17.041","0.003","23.615","0.005","90","","101.92","0.03","90","","3978.4","1.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Br2 N Sb Si -","- C44 H52 Br2 N Sb Si -","- C176 H208 Br8 N4 Sb4 Si4 -","4","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0436","0.0414","","","0.1077","0.1091","","","","","","1.052","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117001","10.1646","0.0005","11.259","0.0006","15.5011","0.0007","95.931","0.004","96.15","0.004","100.498","0.004","1720.51","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Bi Br2 N Si -","- C38 H40 Bi Br2 N Si -","- C76 H80 Bi2 Br4 N2 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0373","0.0307","","","0.0629","0.0661","","","","","","1.022","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117002","10.13","0.002","17.182","0.003","23.696","0.005","90","","102.26","0.03","90","","4030.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Bi Br2 N Si -","- C44 H52 Bi Br2 N Si -","- C176 H208 Bi4 Br8 N4 Si4 -","4","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.7108","Synchrotron","","0.0556","0.048","","","0.1237","0.1277","","","","","","1.085","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117003","10.3779","0.0004","12.172","0.0004","18.3157","0.0007","82.925","0.002","88.322","0.002","66.682","0.002","2108","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H42 Bi Br2 N Si -","- C51 H42 Bi Br2 N Si -","- C102 H84 Bi2 Br4 N2 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0358","0.0289","","","0.0635","0.0655","","","","","","1.04","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117004","13.6508","0.0005","14.2481","0.0006","20.2258","0.0007","97.059","0.003","95.917","0.003","112.943","0.004","3545.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 B Bi2 N3 Si -","- C82 H90 B Bi2 N3 Si -","- C164 H180 B2 Bi4 N6 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0641","0.0396","","","0.0839","0.0924","","","","","","1.017","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117005","12.3574","0.001","12.667","0.001","19.7946","0.0018","99.963","0.007","104.228","0.007","100.574","0.007","2874","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H73.5 As B N3 Si -","- C63.5 H73.5 As B N3 Si -","- C127 H147 As2 B2 N6 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.1896","0.1023","","","0.254","0.3149","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117006","12.4034","0.0007","13.37","0.0008","20.102","0.0012","77.434","0.005","77.587","0.005","65.731","0.006","2936.5","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.25 H80 As B N3 Si -","- C65.25 H80 As B N3 Si -","- C130.5 H160 As2 B2 N6 Si2 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0694","0.0492","","","0.124","0.1362","","","","","","1.059","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117007","12.6918","0.001","13.6933","0.001","14.0983","0.0011","72.74","0.007","77.066","0.007","67.955","0.007","2151.2","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H128 N2 Sb2 Si2 -","- C98 H128 N2 Sb2 Si2 -","- C98 H128 N2 Sb2 Si2 -","1","0.5","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.0611","0.0473","","","0.1178","0.1285","","","","","","1.072","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117008","10.501","0.0007","12.7973","0.0014","21.8679","0.0009","88.502","0.005","76.645","0.004","67.584","0.008","2636.9","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H72 B2 Bi2 N4 -","- C52 H72 B2 Bi2 N4 -","- C104 H144 B4 Bi4 N8 -","2","1","","Deepak Dange; Amelia Davey; Joseph A. B. Abdalla; Simon Aldridge; Cameron Jones","Utilisation of a lithium boryl as a reducing agent in low oxidation state group 15 chemistry: synthesis and characterisation of an amido-distibene and a boryl-dibismuthene","Chem.Commun.","2015","51","","7128","","10.1039/C5cc01772F","","","0.71073","MoKα","","0.065","0.0406","","","0.0788","0.0902","","","","","","1.036","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117009","45.2352","0.0008","6.6395","0.0003","22.441","0.0006","90","","119.467","0.002","90","","5868","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H21 F5 S2 -","- C38 H21 F5 S2 -","- C304 H168 F40 S16 -","8","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","1.54178","CuKα","","0.0773","0.0449","","","0.0988","0.1141","","","","","","1.042","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117010","11.1959","0.0002","12.3836","0.0003","12.6296","0.0004","101.538","0.001","91.211","0.001","91.197","0.002","1714.71","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 F5 S2 -","- C42 H29 F5 S2 -","- C84 H58 F10 S4 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0843","0.0646","","","0.1426","0.157","","","","","","1.076","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117011","13.6064","0.0002","16.1319","0.0003","11.023","0.0002","90","","91.753","0.001","90","","2418.38","0.07","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F10 S -","- C25 H21 B F10 S -","- C100 H84 B4 F40 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0545","0.0446","","","0.1004","0.1069","","","","","","1.058","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117012","13.609","0.0003","16.1094","0.0003","10.9768","0.0002","90","","91.466","0.001","90","","2405.69","0.08","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B Cl F10 S -","- C24 H18 B Cl F10 S -","- C96 H72 B4 Cl4 F40 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0747","0.0538","","","0.098","0.108","","","","","","1.091","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117013","10.3691","0.0004","10.8688","0.0005","15.4492","0.0007","85.529","0.002","80.114","0.002","69.229","0.002","1603.51","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 B Cl2 F15 S -","- C31 H20 B Cl2 F15 S -","- C62 H40 B2 Cl4 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0472","0.0391","","","0.0913","0.0967","","","","","","1.032","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117014","8.964","0.0001","10.7186","0.0001","15.817","0.0001","78.9","0.001","87.821","0.001","81.241","0.001","1473.84","0.02","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 B F15 S -","- C30 H18 B F15 S -","- C60 H36 B2 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","1.54178","CuKα","","0.0445","0.0402","","","0.1049","0.1087","","","","","","1.034","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117015","10.6872","0.0006","20.2903","0.0012","16.7936","0.0009","90","","96.71","0.002","90","","3616.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F15 P S -","- C33 H27 B F15 P S -","- C132 H108 B4 F60 P4 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0824","0.0442","","","0.0902","0.0982","","","","","","1.001","","","","has coordinates","210892","2020-10-21","18:00:00",""
"7117016","24.4977","0.0003","10.2132","0.0001","19.1177","0.0002","90","","112.3","0.001","90","","4425.51","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F5 S -","- C24 H23 F5 S -","- C192 H184 F40 S8 -","8","2","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.06","0.0497","","","0.1174","0.1261","","","","","","1.054","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117017","23.7477","0.0004","10.2283","0.0001","19.1342","0.0003","90","","111.487","0.001","90","","4324.66","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 F5 S2 -","- C22 H21 F5 S2 -","- C176 H168 F40 S16 -","8","2","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard","Thiophene synthesis via 1,1-carboboration","Chemical Communications (Cambridge, United Kingdom)","2015","51","33","7226","7229","10.1039/c5cc01806d","","","0.71073","MoKα","","0.0639","0.049","","","0.1136","0.1259","","","","","","1.042","","","","has coordinates,has disorder","210892","2020-10-21","18:00:00",""
"7117018","9.5651","0.0006","10.502","0.0006","18.1036","0.001","94.315","0.002","95.583","0.002","115.957","0.002","1613.18","0.17","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Br2 F6 In N2 Sb -","- C27 H36 Br2 F6 In N2 Sb -","- C54 H72 Br4 F12 In2 N4 Sb2 -","2","1","","Bastien Michelet; Jean-Remy Colard-Itte; Guillaume Thiery; Regis Guillot; Christophe Bour; Vincent Gandon","Dibromoindium(III) cations as a pi-Lewis acid: characterization of [IPr^.^InBr2][SbF6] and its catalytic activity towards alkynes and alkenes","Chem.Commun.","2015","51","","7401","","10.1039/C5cc00740B","","x-ray","0.71073","MoKα","","0.0501","0.0355","","","0.0756","0.0812","","","","","","1.064","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117019","17.343","0.0007","17.343","0.0007","31.6652","0.0019","90","","90","","120","","8248.2","0.7","298.15","","","","","","","","","","","7","R -3","-R 3","148","","","","- C36 H24 Co3 Mn3 N17 Na O19 -","- C36 H24 Co3 Mn3 N17 Na O19 -","- C216 H144 Co18 Mn18 N102 Na6 O114 -","6","","","Jiang Liu; Mei Qu; Rodolphe Clerac; Xian Ming Zhang","A two-dimensional honeycomb coordination network based on fused triacontanuclear heterometallic {Co12Mn18} wheels","Chem.Commun.","2015","51","","7356","","10.1039/C5cc01199J","","","0.71073","MoKα","","0.119331","0.086468","","","","0.26782","","","","","","1.01745","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117020","16.583","0.003","12.975","0.003","7.3106","0.0015","90","","90","","90","","1573","0.6","293","2","100","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd2 H8 O7 -","- Gd2 H8 O7 -","- Gd16 H64 O56 -","8","0.5","","Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng","Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2","Chem.Commun.","2015","51","","7317","","10.1039/C5cc01254F","","","0.71073","MoKα","","0.0748","0.0661","","","0.1743","0.1903","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117021","6.2993","0.0008","6.2993","0.0008","3.6057","0.0006","90","","90","","120","","123.91","0.03","293","2","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Gd H3 O3 -","- Gd H3 O3 -","- Gd2 H6 O6 -","2","0.166667","","Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng","Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2","Chem.Commun.","2015","51","","7317","","10.1039/C5cc01254F","","","0.71073","MoKα","","0.0687","0.0681","","","0.1613","0.1634","","","","","","1.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117022","5.4207","0.0013","6.797","0.002","10.53","0.003","82.822","0.005","77.868","0.003","71.33","0.003","358.65","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4H-1,2,4-triazol-4-amine 3,6-dinitro-1,4-dihydropyrazolo[4,3-c]pyrazole","","- C8 H10 N14 O4 -","- C8 H10 N14 O4 -","- C8 H10 N14 O4 -","1","0.5","","Jiaheng Zhang; Damon A. Parrish; Jean'ne M. Shreeve","Curious cases of 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic cocrystals with high nitrogen content: an alternative to salt formation","Chem.Commun.","2015","51","","7337","","10.1039/C5cc01745A","","","0.71073","MoKα","","0.0376","0.0319","","","0.078","0.0822","","","","","","1.048","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117023","6.2903","0.0003","7.2315","0.0003","15.5555","0.0007","90","","92.037","0.002","90","","707.15","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N14 O4 -","- C8 H10 N14 O4 -","- C16 H20 N28 O8 -","2","0.5","","Jiaheng Zhang; Damon A. Parrish; Jean'ne M. Shreeve","Curious cases of 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic cocrystals with high nitrogen content: an alternative to salt formation","Chem.Commun.","2015","51","","7337","","10.1039/C5cc01745A","","x-ray","0.71073","MoKα","","0.0368","0.0335","","","0.0867","0.0897","","","","","","1.04","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117024","15.8664","0.0004","15.8664","0.0004","21.7986","0.0013","90","","90","","90","","5487.6","0.4","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H40 Cd Cl2 N12 O10 -","- C54 H40 Cd Cl2 N12 O10 -","- C216 H160 Cd4 Cl8 N48 O40 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0513","0.0433","","","0.1109","0.1185","","","","","","1.079","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117025","15.8983","0.0001","15.8983","0.0001","21.6675","0.0007","90","","90","","90","","5476.59","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C56 H46 Cd Cl2 N12 O11 -","- C56 H46 Cd Cl2 N12 O11 -","- C224 H184 Cd4 Cl8 N48 O44 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0495","0.0417","","","0.0998","0.1061","","","","","","1.071","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117026","15.90821","0.00018","15.90821","0.00018","21.6184","0.0004","90","","90","","90","","5470.99","0.13","100.03","0.11","100.03","0.11","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H41.2 Cd Cl2 N12 O10 -","- C54 H41.2 Cd Cl2 N12 O10 -","- C216 H164.8 Cd4 Cl8 N48 O40 -","4","0.5","","Fan Yang; Qi-Kui Liu; Dan Wu; An-Yan Li; Yu-Bin Dong","p-Benzoquinone adsorption-separation, sensing and its photoinduced transformation within a robust Cd(II)-MOF in a SC-SC fashion","Chem.Commun.","2015","51","","7443","","10.1039/C5cc00127G","","","0.71073","MoKα","","0.0508","0.0447","","","0.1185","0.1246","","","","","","1.074","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117027","10.756","0.0006","11.0605","0.0006","12.354","0.0007","91.668","0.004","108.414","0.004","116.545","0.003","1222.1","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(PPh4)[Sn(N3)3]","Tetraphenylphosphonium triazidostannate(II)","","- C24 H20 N9 P Sn -","- C24 H20 N9 P Sn -","- C48 H40 N18 P2 Sn2 -","2","1","","Benjamin Peerless; Theo Keane; Anthony J. H. M. Meijer; Peter Portius","Homoleptic low-valent polyazides of group 14 elements","Chem.Commun.","2015","51","","7435","","10.1039/C5cc00259A","","","0.71073","MoKα","","0.0521","0.0397","","","0.0954","0.102","","","","","","1.053","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117028","7.7712","0.0002","11.4711","0.0004","14.2003","0.0004","93.278","0.002","99.357","0.002","100.865","0.002","1221.59","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PPh4)[Ge(N3)3]","(PPh4)[Ge(N3)3]","","- C24 H20 Ge N9 P -","- C24 H20 Ge N9 P -","- C48 H40 Ge2 N18 P2 -","2","1","","Benjamin Peerless; Theo Keane; Anthony J. H. M. Meijer; Peter Portius","Homoleptic low-valent polyazides of group 14 elements","Chem.Commun.","2015","51","","7435","","10.1039/C5cc00259A","","","0.71073","MoKα","","0.0645","0.0376","","","0.0731","0.0807","","","","","","1.09","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117029","5.826","0.004","17.749","0.01","14.404","0.009","90","","93.154","0.009","90","","1487.2","1.6","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","2","","Junli Hou; Yang Chen; Dongmei Ma; Burghard Cordes; Jingyun Wang; Xin Wang; Fritz E. Kuhn; Hao Guo; Mingdong Zhou","Methyltrioxorhenium-catalyzed highly selective dihydroxylation of 1,2-allenylic diphenyl phosphine oxides","Chem.Commun.","2015","51","","7439","","10.1039/C5cc01160D","","","0.71073","MoKα","","0.1365","0.0962","","","0.2391","0.2647","","","","","","1.061","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117030","5.8589","0.0019","17.826","0.005","14.463","0.005","90","","93.258","0.005","90","","1508.1","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","2","","Junli Hou; Yang Chen; Dongmei Ma; Burghard Cordes; Jingyun Wang; Xin Wang; Fritz E. Kuhn; Hao Guo; Mingdong Zhou","Methyltrioxorhenium-catalyzed highly selective dihydroxylation of 1,2-allenylic diphenyl phosphine oxides","Chem.Commun.","2015","51","","7439","","10.1039/C5cc01160D","","","0.71073","MoKα","","0.0826","0.0747","","","0.2087","0.2177","","","","","","1.099","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117031","10.1096","0.0005","12.4472","0.0013","18.3814","0.0009","95.587","0.006","95.919","0.004","96.9","0.006","2269.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 B F2 N2 S -","- C27 H19 B F2 N2 S -","- C108 H76 B4 F8 N8 S4 -","4","2","","Xiaoqing Wang; Qingsong Liu; Hui Yan; Zhipeng Liu; Mingguang Yao; Qingfu Zhang; Shuwen Gong; Weijiang He","Piezochromic luminescence behaviors of two new benzothiazole-enamido boron difluoride complexes: intra- and inter-molecular effects induced by hydrostatic compression","Chem.Commun.","2015","51","","7497","","10.1039/C5cc01902H","","","0.71073","MoKα","","0.1438","0.067","","","0.1415","0.1832","","","","","","1.012","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117032","29.997","0.003","8.4716","0.0009","12.7084","0.0011","90","","112.788","0.002","90","","2977.4","0.5","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H66 B2 F4 N8 O S2 -","- C66 H66 B2 F4 N8 O S2 -","- C132 H132 B4 F8 N16 O2 S4 -","2","0.5","","Xiaoqing Wang; Qingsong Liu; Hui Yan; Zhipeng Liu; Mingguang Yao; Qingfu Zhang; Shuwen Gong; Weijiang He","Piezochromic luminescence behaviors of two new benzothiazole-enamido boron difluoride complexes: intra- and inter-molecular effects induced by hydrostatic compression","Chem.Commun.","2015","51","","7497","","10.1039/C5cc01902H","","","0.71073","MoKα","","0.139","0.0587","","","0.1242","0.1548","","","","","","0.923","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117033","10.1735","0.0003","12.6747","0.0004","16.2901","0.0005","83.778","0.001","72.596","0.001","73.177","0.001","1918.05","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.66667 H13 Br N4.33333 P -","- C9.66667 H13 Br N4.33333 P -","- C58 H78 Br6 N26 P6 -","6","3","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0502","0.0318","","","0.0647","0.0718","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7117034","12.2417","0.001","4.8288","0.0004","33.91","0.003","90","","98.281","0.003","90","","1983.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N4 P -","- C21 H20 Br N4 P -","- C84 H80 Br4 N16 P4 -","4","1","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0537","0.032","","","0.0641","0.0703","","","","","","1.057","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117035","8.2477","0.0003","8.4833","0.0003","10.7821","0.0004","97.866","0.001","104.396","0.001","93.252","0.001","720.59","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 F3 N4 O3 P S -","- C10 H12 F3 N4 O3 P S -","- C20 H24 F6 N8 O6 P2 S2 -","2","1","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0815","0.053","","","0.1229","0.1377","","","","","","1.042","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117036","11.0003","0.0004","13.6439","0.0005","14.0585","0.0005","77.876","0.002","79.118","0.002","87.493","0.002","2025.82","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 B N4 O P -","- C49 H48 B N4 O P -","- C98 H96 B2 N8 O2 P2 -","2","1","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0696","0.0524","","","0.1356","0.1503","","","","","","1.038","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117037","11.012","0.0004","13.4813","0.0005","13.8114","0.0004","78.513","0.002","77.138","0.001","87.889","0.002","1958.84","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 B Cl2 N4 P -","- C46 H42 B Cl2 N4 P -","- C92 H84 B2 Cl4 N8 P2 -","2","1","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0695","0.056","","","0.1545","0.166","","","","","","1.039","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117038","20.7657","0.0007","14.6302","0.0007","13.2427","0.0005","90","","123.628","0.002","90","","3349.9","0.2","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Au Cl F6 N8 O6 P2 S2 -","- C20 H24 Au Cl F6 N8 O6 P2 S2 -","- C80 H96 Au4 Cl4 F24 N32 O24 P8 S8 -","4","0.5","","Justin F. Binder; Ala'aeddeen Swidan; Martin Tang; Jennifer H. Nguyen; Charles L. B. Macdonald","Remarkably stable chelating bis-N-heterocyclic carbene adducts of phosphorus(I) cations","Chem.Commun.","2015","51","","7741","","10.1039/C5cc00331H","","","0.71073","MoKα","","0.0308","0.0293","","","0.0798","0.081","","","","","","1.069","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117039","17.9278","0.0004","18.574","0.0004","28.0345","0.0006","74.801","0.0018","87.6211","0.0018","61.281","0.002","7861.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H0.5 Cl12 Co14 N48 O4 -","- C88 H60 Cl12 Co14 N48 O4 -","- C176 H120 Cl24 Co28 N96 O8 -","2","1","","Fu-Ping Huang; Peng-Fei Yao; Hai-Ye Li; Qing Yu; He-Dong Bian; Hong Liang","An intuitional hierarchical assembly of cluster-organic frameworks with a thickness of 1.97 nm from a discrete Co14 cluster","Chem.Commun.","2015","51","","7598","","10.1039/C5cc01057H","","","0.7107","MoKα","","0.1086","0.0941","","","0.2629","0.2773","","","","","","1.144","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7117040","23.2046","0.0004","23.2046","0.0004","17.2439","0.0019","90","","90","","120","","8041.1","0.9","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C31.33 H26 Cl2 Co4.67 N16 O3.33 -","- C31.3333 H25.99 Cl2 Co4.66667 N16 O3.33333 -","- C188 H155.94 Cl12 Co28 N96 O20 -","6","1","","Fu-Ping Huang; Peng-Fei Yao; Hai-Ye Li; Qing Yu; He-Dong Bian; Hong Liang","An intuitional hierarchical assembly of cluster-organic frameworks with a thickness of 1.97 nm from a discrete Co14 cluster","Chem.Commun.","2015","51","","7598","","10.1039/C5cc01057H","","","0.7107","MoKα","","0.0514","0.0435","","","0.1383","0.1447","","","","","","1.09","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117041","11.0372","0.0007","11.6357","0.0007","11.866","0.0007","111.316","0.001","103.831","0.001","100.243","0.001","1318.13","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H16 B F10 N O2 -","- C29 H16 B F10 N O2 -","- C58 H32 B2 F20 N2 O4 -","2","1","","Lu Wang; Kai Wang; Houyu Zhang; Chuanjun Jiao; Bo Zou; Kaiqi Ye; Hongyu Zhang; Yue Wang","The facile realization of RGB luminescence based on one yellow emissive four-coordinate organoboron material","Chem.Commun.","2015","51","","7701","","10.1039/C5cc01113B","","","0.71073","MoKα","","0.0778","0.0578","","","0.1484","0.1645","","","","","","1.062","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117042","10.4884","0.0008","11.0467","0.0008","11.5358","0.0009","95.268","0.001","98.354","0.001","99.426","0.001","1295.34","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H16 B F10 N O2 -","- C29 H16 B F10 N O2 -","- C58 H32 B2 F20 N2 O4 -","2","1","","Lu Wang; Kai Wang; Houyu Zhang; Chuanjun Jiao; Bo Zou; Kaiqi Ye; Hongyu Zhang; Yue Wang","The facile realization of RGB luminescence based on one yellow emissive four-coordinate organoboron material","Chem.Commun.","2015","51","","7701","","10.1039/C5cc01113B","","","0.71073","MoKα","","0.0791","0.0589","","","0.1681","0.2002","","","","","","1.059","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117043","7.2482","0.0008","12.373","0.0013","24.27","0.003","90","","97.43","0.002","90","","2158.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hiro-40","compound11","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","","Timothy K. Beng; Hironori Takeuchi; Manuel Weber; Richmond Sarpong","Stereocontrolled synthesis of vicinally functionalized piperidines by nucleophilic beta-addition of alkyllithiums to alpha-aryl substituted piperidine enecarbamates","Chem.Commun.","2015","51","","7653","","10.1039/C5cc01307K","","","0.71073","MoKα","","0.0508","0.039","","","0.091","0.1016","","","","","","1.054","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7117044","7.215","0.0002","12.5739","0.0004","13.1379","0.0004","70.358","0.001","86.908","0.001","85.384","0.001","1118.43","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Hiro-77","compound12","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C54 H60 N4 O6 -","2","1","","Timothy K. Beng; Hironori Takeuchi; Manuel Weber; Richmond Sarpong","Stereocontrolled synthesis of vicinally functionalized piperidines by nucleophilic beta-addition of alkyllithiums to alpha-aryl substituted piperidine enecarbamates","Chem.Commun.","2015","51","","7653","","10.1039/C5cc01307K","","","0.71073","MoKα","","0.0466","0.0371","","","0.0847","0.0908","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7117045","14.0394","0.0003","10.71244","0.00019","18.6534","0.0004","90","","107.182","0.0007","90","","2680.2","0.09","98","","98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Si -","- C36 H32 Si -","- C144 H128 Si4 -","4","1","","Shunsuke Sueki; Yoichiro Kuninobu","Rhodium-catalysed synthesis of multi-substituted silylindenes from aryl alkynes and hydrosilanes via C-H bond activation","Chem.Commun.","2015","51","","7685","","10.1039/C5cc01569C","","","1.54187","CuKα","","","0.0466","","","","0.1246","","","","","","1.099","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117046","11.861","0.002","22.463","0.004","25.58","0.005","90","","90","","90","","6815","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 B Fe N6 O3 -","- C39 H35 B Fe N6 O3 -","- C312 H280 B8 Fe8 N48 O24 -","8","1","","Debobrata Sheet; Shrabanti Bhattacharya; Tapan Kanti Paine","Dioxygen activation and two consecutive oxidative decarboxylations of phenylpyruvate by nonheme iron(II) complexes: functional models of hydroxymandelate synthase (HMS) and CloR","Chem.Commun.","2015","51","","7681","","10.1039/C5cc01652E","","","0.71073","MoKα","","0.1056","0.0458","","","0.1205","0.1902","","","","","","1.187","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117047","11.2139","0.0005","17.371","0.0006","23.2242","0.0011","90","","90","","90","","4524","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N O2 Zr -","- C48 H67 N O2 Zr -","- C192 H268 N4 O8 Zr4 -","4","1","","Qiu Sun; Yaorong Wang; Dan Yuan; Yingming Yao; Qi Shen","Zirconium catalysed intermolecular hydroamination reactions of secondary amines with alkynes","Chem.Commun.","2015","51","","7633","","10.1039/C5cc01780G","","","0.71073","MoKα","","0.0582","0.0469","","","0.1097","0.1162","","","","","","1.048","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117048","11.928","0.005","13.662","0.005","17.417","0.005","90","0.005","105.321","0.005","90","0.005","2737.4","1.7","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Mn N9 S5 -","- C19 H18 Mn N9 S5 -","- C76 H72 Mn4 N36 S20 -","4","0.5","","Dariusz Matoga; Marcin Oszajca; Marcin Molenda","Ground to conduct: mechanochemical synthesis of a metal-organic framework with high proton conductivity","Chem.Commun.","2015","51","","7637","","10.1039/C5cc01789K","","x-ray","1.5418","CuKα","","0.047","0.0408","","","0.1106","0.1157","","","","","","1.085","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117049","9.723","0.003","14.061","0.004","7.1516","0.0018","90","","97.92","0.03","90","","968.4","0.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Mn N6 O4 S2 -","- C14 H8 Mn N6.86 O4 S2 -","- C28 H16 Mn2 N13.72 O8 S4 -","2","0.5","","Dariusz Matoga; Marcin Oszajca; Marcin Molenda","Ground to conduct: mechanochemical synthesis of a metal-organic framework with high proton conductivity","Chem.Commun.","2015","51","","7637","","10.1039/C5cc01789K","powder diffraction","x-ray","1.5418","CuKα","","0.1035","0.1021","","0.1132","0.1131","","","","3.18","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117050","8.8402","0.0017","14.927","0.003","23.777","0.005","90","","96.92","0.02","90","","3114.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","porphycene","2,3,6,7,12,13,16,17-octa(methylthio)porphycene","","- C28 H28 N4 O S8 -","- C28 H28 N4 O S8 -","- C112 H112 N16 O4 S32 -","4","1","","Anup Rana; Sangsu Lee; Dongho Kim; Pradeepta K. Panda","Beta-Octakis(methylthio)porphycenes: synthesis, characterisation and third order nonlinear optical studies","Chem.Commun.","2015","51","","7705","","10.1039/C5cc02279G","","","0.71073","MoKα","","0.1676","0.0752","","","0.1375","0.1793","","","","","","0.985","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117051","4.918","0.00019","8.5807","0.0004","19.8851","0.0008","90","","97.072","0.004","90","","832.76","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bipyrroledialdhyde","3,3',4,4'-tetrakis(methylthio)-[2,2'-bipyrrole]-5,5'-dialdehyde","","- C14 H16 N2 O2 S4 -","- C14 H16 N2 O2 S4 -","- C28 H32 N4 O4 S8 -","2","0.5","","Anup Rana; Sangsu Lee; Dongho Kim; Pradeepta K. Panda","Beta-Octakis(methylthio)porphycenes: synthesis, characterisation and third order nonlinear optical studies","Chem.Commun.","2015","51","","7705","","10.1039/C5cc02279G","","","1.54184","CuKα","","0.0433","0.0412","","","0.1088","0.1119","","","","","","1.04","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117052","11.574","0.0006","15.2041","0.0009","19.9081","0.0011","90.06","0.002","103.277","0.002","110.696","0.002","3176.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cl2 Co N4 -","- C18 H18 Cl2 Co N4 -","- C108 H108 Cl12 Co6 N24 -","6","3","","Sharon Lai-Fung Chan; Tsz Lung Lam; Chen Yang; Siu-Cheong Yan; Nga Man Cheng","A robust and efficient cobalt molecular catalyst for CO2 reduction","Chem.Commun.","2015","51","","7799","","10.1039/C5cc00566C","","","1.54178","CuKα","","0.1312","0.1207","","","0.3208","0.3355","","","","","","1.426","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117053","9.6741","0.0004","10.9465","0.0006","29.0292","0.0011","90","","90","","90","","3074.1","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe Si -","- C18 H18 Fe Si -","- C144 H144 Fe8 Si8 -","8","2","","Takanori Shibata; Tsubasa Shizuno; Tomoya Sasaki","Enantioselective synthesis of planar-chiral benzosiloloferrocenes by Rh-catalyzed intramolecular C-H silylation","Chem.Commun.","2015","51","","7802","","10.1039/C5cc00723B","","","0.71075","MoKα","","0.0583","0.0371","","","0.0826","0.1036","","","","","","0.882","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117054","12.4844","0.0007","8.092","0.0005","17.7356","0.0011","90","","92.499","0.001","90","","1790.01","0.19","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","(Z)-12-(2,2-Dimethylpropylidene)-2-methyl-5,6,7,12-tetrahydro-dibenzo[a,d]cyclooctene","","- C22 H26 -","- C22 H26 -","- C88 H104 -","4","1","","Takashi Otani; Kanako Ueki; Kinryo Cho; Kan Kanai; Kotaro Tateno; Takao Saito","Construction of dibenzo-fused seven- to nine-membered carbocycles via Bronsted acid-promoted intramolecular Friedel-Crafts-type alkenylation","Chem.Commun.","2015","51","","7895","","10.1039/C5cc01257K","","","0.71073","MoKα","","0.0687","0.0564","","","0.1539","0.1678","","","","","","1.022","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117055","5.881","0.005","16.344","0.013","17.969","0.014","90","","95.555","0.01","90","","1719","2","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(E)-5-(2,2-Dimethylpropylidene)-10,11-dihydro-3-methyl-5H-dibenzo[a,d]cycloheptene","","- C21 H24 -","- C21 H24 -","- C84 H96 -","4","1","","Takashi Otani; Kanako Ueki; Kinryo Cho; Kan Kanai; Kotaro Tateno; Takao Saito","Construction of dibenzo-fused seven- to nine-membered carbocycles via Bronsted acid-promoted intramolecular Friedel-Crafts-type alkenylation","Chem.Commun.","2015","51","","7895","","10.1039/C5cc01257K","","","0.71073","MoKα","","0.0971","0.0574","","","0.1667","0.1912","","","","","","1.033","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117056","10.641","0.003","14.224","0.004","15.449","0.004","91.028","0.002","110.013","0.003","109.772","0.004","2043.8","1","98","","98","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H48 Cl8 F8 N4 O18 Ru4 -","- C74 H36 Cl8 F8 N4 O18 Ru4 -","- C74 H36 Cl8 F8 N4 O18 Ru4 -","1","0.5","","Hiroki Fukunaga; Takafumi Yoshino; Hajime Sagayama; Jun-ichi Yamaura; Taka-hisa Arima; Wataru Kosaka; Hitoshi Miyasaka","A charge-disproportionate ordered state with delta = 0.75 in a chemically sensitive donor/acceptor D^delta^+2A^2delta-^ layered framework","Chem.Commun.","2015","51","","7795","","10.1039/C5cc01633A","","","0.71075","MoKα","","0.061","0.0569","","","0.1544","0.1604","","","","","","1.085","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117057","9.994","0.003","14.265","0.005","14.433","0.004","82.602","0.009","79.222","0.008","82.472","0.008","1992.4","1.1","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H48 Cl8 F8 N4 O18 Ru4 -","- C74 H34 Cl8 F8 N4 O18 Ru4 -","- C74 H34 Cl8 F8 N4 O18 Ru4 -","1","0.5","","Hiroki Fukunaga; Takafumi Yoshino; Hajime Sagayama; Jun-ichi Yamaura; Taka-hisa Arima; Wataru Kosaka; Hitoshi Miyasaka","A charge-disproportionate ordered state with delta = 0.75 in a chemically sensitive donor/acceptor D^delta^+2A^2delta-^ layered framework","Chem.Commun.","2015","51","","7795","","10.1039/C5cc01633A","","","0.71075","MoKα","","","0.0518","","","","0.1611","","","","","","1.098","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117058","10.551","0.003","13.573","0.004","30.865","0.005","80.126","0.011","79.263","0.011","74.635","0.01","4152.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 F8 N4 O18 Ru4 -","- C70 H40 F8 N4 O18 Ru4 -","- C140 H80 F16 N8 O36 Ru8 -","2","1","","Hiroki Fukunaga; Takafumi Yoshino; Hajime Sagayama; Jun-ichi Yamaura; Taka-hisa Arima; Wataru Kosaka; Hitoshi Miyasaka","A charge-disproportionate ordered state with delta = 0.75 in a chemically sensitive donor/acceptor D^delta^+2A^2delta-^ layered framework","Chem.Commun.","2015","51","","7795","","10.1039/C5cc01633A","","","0.71075","MoKα","","0.0445","0.0363","","","0.1146","0.118","","","","","","1.103","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117059","16.8968","0.0007","22.282","0.0007","19.3332","0.0008","90","","106.728","0.004","90","","6970.8","0.5","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H108 Co2 N18 Ni4 O24 Tb2 -","- C102 H108 Co2 N20 Ni4 O22 Tb2 -","- C204 H216 Co4 N40 Ni8 O44 Tb4 -","2","0.5","","Sebastien Dhers; Jean-Pierre Costes; Philippe Guionneau; Carley Paulsen; Laure Vendier; Jean-Pascal Sutter","On the importance of ferromagnetic exchange between transition metals in field-free SMMs: examples of ring-shaped hetero-trimetallic [(LnNi2){W(CN)8}]2 compounds","Chem.Commun.","2015","51","","7875","","10.1039/C5cc01743B","","x-ray","0.71073","MoKα","","0.1038","0.0673","","","0.1599","0.1687","","","","","","0.89","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117060","16.712","0.001","20.624","0.002","20.852","0.003","87.814","0.002","89.178","0.003","74.215","0.002","6910.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H134 Dy2 N34 Ni4 O20 W2 -","- C120 H134 Dy2 N34 Ni4 O20 W2 -","- C240 H268 Dy4 N68 Ni8 O40 W4 -","2","1","","Sebastien Dhers; Jean-Pierre Costes; Philippe Guionneau; Carley Paulsen; Laure Vendier; Jean-Pascal Sutter","On the importance of ferromagnetic exchange between transition metals in field-free SMMs: examples of ring-shaped hetero-trimetallic [(LnNi2){W(CN)8}]2 compounds","Chem.Commun.","2015","51","","7875","","10.1039/C5cc01743B","","","0.71073","MoKα","","0.0932","0.0637","","","0.1374","0.1463","","","","","","1.164","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117061","16.7341","0.0008","20.6199","0.0008","20.8979","0.0008","87.881","0.005","89.214","0.005","74.309","0.005","6937.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H134 N34 Ni4 O20 Tb2 W2 -","- C120 H134 N34 Ni4 O20 Tb2 W2 -","- C240 H268 N68 Ni8 O40 Tb4 W4 -","2","1","","Sebastien Dhers; Jean-Pierre Costes; Philippe Guionneau; Carley Paulsen; Laure Vendier; Jean-Pascal Sutter","On the importance of ferromagnetic exchange between transition metals in field-free SMMs: examples of ring-shaped hetero-trimetallic [(LnNi2){W(CN)8}]2 compounds","Chem.Commun.","2015","51","","7875","","10.1039/C5cc01743B","","","0.71073","MoKα","","0.1262","0.0976","","","0.2174","0.2307","","","","","","1.114","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117062","16.71","0.001","20.663","0.001","20.852","0.001","87.797","0.001","89.185","0.001","74.158","0.001","6921.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H134 N34 Ni4 O20 W2 Y2 -","- C120 H134 N34 Ni4 O20 W2 Y2 -","- C240 H268 N68 Ni8 O40 W4 Y4 -","2","1","","Sebastien Dhers; Jean-Pierre Costes; Philippe Guionneau; Carley Paulsen; Laure Vendier; Jean-Pascal Sutter","On the importance of ferromagnetic exchange between transition metals in field-free SMMs: examples of ring-shaped hetero-trimetallic [(LnNi2){W(CN)8}]2 compounds","Chem.Commun.","2015","51","","7875","","10.1039/C5cc01743B","","","0.71073","MoKα","","0.0541","0.0379","","","0.0758","0.08","","","","","","1.115","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117063","9.2153","0.0004","11.1328","0.0006","15.2684","0.0009","70.278","0.003","83.973","0.003","71.336","0.003","1396.98","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N5 O13 P3 Zn3 -","- C18 H16 N5 O13 P3 Zn3 -","- C36 H32 N10 O26 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.0917","0.0612","","","0.1777","0.1987","","","","","","1.001","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117064","9.149","0.003","11.202","0.004","14.628","0.005","73.526","0.013","88.045","0.014","71.284","0.012","1358.9","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N5 O10 P3 Zn3 -","- C18 H15 N5 O10 P3 Zn3 -","- C36 H30 N10 O20 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.2472","0.132","","","0.3552","0.4261","","","","","","1.019","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117065","9.578","0.003","11.517","0.004","13.244","0.005","76.705","0.012","88.391","0.013","69.043","0.011","1325.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N5 O9 P3 Zn3 -","- C18 H16 N5 O9 P3 Zn3 -","- C36 H32 N10 O18 P6 Zn6 -","2","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Lee, Li-Wei; Lin, Hsiu-Mei; Lu, Kuang-Lieh; Lii, Kwang-Hwa","The first zinc phosphite with remarkable structural and functional transformations","Chemical Communications (Cambridge, United Kingdom)","2015","51","37","7824","7826","10.1039/c5cc01886b","","","0.71073","MoKα","","0.2144","0.0955","","","0.2475","0.326","","","","","","1.017","","","","has coordinates","210991","2020-10-21","18:00:00",""
"7117066","16.26","0.0006","8.0578","0.0003","16.7298","0.0007","90","","118.216","0.001","90","","1931.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-(phenylthio)-N-(quinolin-8-yl)benzamide","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Xiaohan Ye; Jeffrey L. Petersen; Xiaodong Shi","Nickel-catalyzed directed sulfenylation of sp2 and sp3 C-H bonds","Chem.Commun.","2015","51","","7863","","10.1039/C5cc01970B","","","0.71073","MoKα","","0.0692","0.0553","","","0.1182","0.1265","","","","","","1.094","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117067","12.0459","0.0005","10.3781","0.0005","15.4051","0.0007","90","","107.395","0.0012","90","","1837.78","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-chloro-2-(phenylthio)-N-(quinolin-8-yl)benzamide","","- C22 H15 Cl N2 O S -","- C22 H15 Cl N2 O S -","- C88 H60 Cl4 N8 O4 S4 -","4","1","","Xiaohan Ye; Jeffrey L. Petersen; Xiaodong Shi","Nickel-catalyzed directed sulfenylation of sp2 and sp3 C-H bonds","Chem.Commun.","2015","51","","7863","","10.1039/C5cc01970B","","","0.71073","MoKα","","0.0679","0.056","","","0.1495","0.1676","","","","","","1.055","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117068","9.6005","0.0004","11.3245","0.0005","15.2126","0.0007","74.9336","0.0014","82.8296","0.0013","77.8418","0.0013","1556.94","0.12","93","","93","","","","","","","","no","5","P -1","-P 1","2","","","","- C32 H47 Au N2 S -","- C32 H47 Au N2 S -","- C64 H94 Au2 N4 S2 -","2","1","","Kazunori Miyamoto; Masaya Hirobe; Masanobu Uchiyama; Masahito Ochiai","Stereoselective synthesis and reaction of gold(I) (Z)-enethiolates","Chem.Commun.","2015","51","","7962","","10.1039/C5cc02000J","","","0.71075","MoKα","","","0.0251","","","","0.1063","","","","","","1.044","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117069","5.4618","0.0006","9.7781","0.0011","11.8765","0.0013","98.2","0.007","93.463","0.007","91.657","0.007","626.19","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 F3 I O6 S -","- C8 H6 F3 I O6 S -","- C16 H12 F6 I2 O12 S2 -","2","1","","Akira Yoshimura; Khiem C. Nguyen; Scott C. Klasen; Akio Saito; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, structure, and versatile reactivity of pseudocyclic benziodoxole triflate, new hypervalent iodine reagent","Chem.Commun.","2015","51","","7835","","10.1039/C5cc02009C","","","0.71075","MoKα","","0.1351","0.0834","","0.2099","0.1541","0.2099","","","","","","0.9851","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117071","13.608","0.003","10.347","0.002","14.528","0.004","90","","117.341","0.003","90","","1817.1","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","(R,R)-trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine -CuCl2 complex","","- C40 H50 Cl2 Cu N2 O2 -","- C40 H50 Cl2 Cu N2 O2 -","- C80 H100 Cl4 Cu2 N4 O4 -","2","0.5","","Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi","Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex","Chem.Commun.","2015","51","","7907","","10.1039/C5cc02302E","","","0.71075","MoKα","","0.0252","0.0224","","","0.0371","0.0374","","","","","","0.866","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117072","13.8568","0.0003","15.8847","0.0004","15.2073","0.0004","90","","96.046","0.001","90","","3328.68","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H42 Cl2 Cu N2 O2 -","- C36 H42 Cl2 Cu N2 O2 -","- C144 H168 Cl8 Cu4 N8 O8 -","4","2","","Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi","Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex","Chem.Commun.","2015","51","","7907","","10.1039/C5cc02302E","","","1.54178","CuKα","","0.0271","0.027","","","0.0696","0.0697","","","","","","1.053","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117073","25.878","0.0006","10.4574","0.0002","10.7037","0.0003","90","","102.636","0.002","90","","2826.44","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Cl2 Cu N2 -","- C32 H34 Cl2 Cu N2 -","- C128 H136 Cl8 Cu4 N8 -","4","0.5","","Koichi Tanaka; Tomoharu Iwashita; Erika Yoshida; Tomomi Ishikawa; Shinya Otuka; Zofia Urbanczyk-Lipkowska; Hiroki Takahashi","Solvent-dependent strong asymmetric amplification in the catalytic enantioselective Henry reaction using the trans-N,N'-bis-biphenyl-4-ylmethyl-cyclohexane-1,2-diamine-CuCl2 complex","Chem.Commun.","2015","51","","7907","","10.1039/C5cc02302E","","","1.54178","CuKα","","0.0431","0.0386","","","0.1083","0.1131","","","","","","1.032","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117074","8.52016","0.00018","31.2866","0.0008","13.2813","0.0003","90","","90","","90","","3540.35","0.14","99.8","0.2","99.8","0.2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H45 Cu3 I6 N3 -","- C21 H45 Cu3 I6 N3 -","- C84 H180 Cu12 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","","0.71073","MoKα","","0.032","0.0299","","","0.06","0.0611","","","","","","1.108","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117075","8.5342","0.0004","31.3102","0.0012","13.3245","0.0005","90","","90","","90","","3560.4","0.3","152","20","152","20","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C18 H42 Cu3 I6 N3 -","- C21 H45 Cu3 I6 N3 -","- C84 H180 Cu12 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","","0.7107","MoKα","","0.0367","0.0332","","","0.0686","0.0706","","","","","","1.108","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117076","8.5719","0.0008","13.4018","0.0007","31.305","0.003","90","","90","","90","","3596.3","0.5","200.2","0.3","200.2","0.3","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H45 Cu3.01 I6 N3 -","- C21 H45 Cu3.0109 I6 N3 -","- C84 H180 Cu12.0436 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0543","0.057","","","","","","1.032","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117077","8.6","0.0005","31.212","0.002","13.5728","0.0008","90","","90","","90","","3643.3","0.4","253.2","0.2","253.2","0.2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H45 Cu3 I6 N3 -","- C21 H45 Cu3 I6 N3 -","- C84 H180 Cu12 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","x-ray","0.71073","MoKα","","0.0597","0.045","","","0.0864","0.0934","","","","","","1.073","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117078","8.6034","0.0003","13.5945","0.0006","31.256","0.0014","90","","90","","90","","3655.7","0.3","298","2","298","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H45 Cu2.99 I6 N3 -","- C21 H45 Cu2.99 I6 N3 -","- C84 H180 Cu11.96 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","x-ray","0.71073","MoKα","","0.0685","0.0498","","","0.1003","0.1112","","","","","","1.033","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117079","8.6312","0.0005","13.6767","0.0008","31.2048","0.0019","90","","90","","90","","3683.6","0.4","373.2","0.4","373.2","0.4","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C21 H45 Cu3.01 I6 N3 -","- C21 H45 Cu3.00986 I6 N3 -","- C84 H180 Cu12.0394 I24 N12 -","4","1","","Shi-Li Li; Fu-Qiang Zhang; Xian-Ming Zhang","An organic-ligand-free thermochromic luminescent cuprous iodide trinuclear cluster: evidence for cluster centered emission and configuration distortion with temperature","Chem.Commun.","2015","51","","8062","","10.1039/C5cc01154J","","x-ray","0.71","MoKα","","0.1027","0.0633","","","0.12","0.1444","","","","","","1.041","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117080","8.9041","0.0009","17.9362","0.0015","18.9879","0.0007","100.842","0.005","102.263","0.007","103.409","0.008","2791.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cd2 Cl2 N4 O8 -","- C44 H32 Cd2 Cl2 N4 O8 -","- C88 H64 Cd4 Cl4 N8 O16 -","2","1","","Cheng Chen; Li-Xuan Cai; Bin Tan; Ya-Jun Zhang; Xiao-Dong Yang; Jie Zhang","Ammonia detection by using flexible Lewis acidic sites in luminescent porous frameworks constructed from a bipyridinium derivative","Chem.Commun.","2015","51","","8189","","10.1039/C5cc01239B","","","1.54178","CuKα","","0.0975","0.0835","","","0.1849","0.1921","","","","","","1.042","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117081","9.0867","0.0007","18.0356","0.001","18.8207","0.0012","102.462","0.005","103.387","0.007","100.625","0.006","2839.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br2 Cd2 N4 O8 -","- C44 H32 Br2 Cd2 N4 O8 -","- C88 H64 Br4 Cd4 N8 O16 -","2","1","","Cheng Chen; Li-Xuan Cai; Bin Tan; Ya-Jun Zhang; Xiao-Dong Yang; Jie Zhang","Ammonia detection by using flexible Lewis acidic sites in luminescent porous frameworks constructed from a bipyridinium derivative","Chem.Commun.","2015","51","","8189","","10.1039/C5cc01239B","","","1.54178","CuKα","","0.0874","0.0612","","","0.1368","0.1524","","","","","","1.065","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117082","5.7758","0.0005","20.087","0.0019","7.3139","0.0006","90","","92.951","0.008","90","","847.42","0.13","295.3","0.3","295.3","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","3a","Thiazolo Pyrone","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C40 H34 N2 O4 S2 -","2","1","","Li Lin; Yuhong Yang; Mei Wang; Luhao Lai; Yarong Guo; Rui Wang","Oxidative N-heterocyclic carbene catalyzed stereoselective annulation of simple aldehydes and 5-alkenyl thiazolones","Chem.Commun.","2015","51","","8134","","10.1039/C5cc01587A","","","0.71073","MoKα","","0.0748","0.0639","","","0.1462","0.1582","","","","","","1.079","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117083","5.7825","0.0017","20.098","0.002","7.311","0.0008","90","","92.824","0.015","90","","848.6","0.3","294.59","0.1","294.59","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","3a'","Thiazolo Pyrone 3a'","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C40 H34 N2 O4 S2 -","2","1","","Li Lin; Yuhong Yang; Mei Wang; Luhao Lai; Yarong Guo; Rui Wang","Oxidative N-heterocyclic carbene catalyzed stereoselective annulation of simple aldehydes and 5-alkenyl thiazolones","Chem.Commun.","2015","51","","8134","","10.1039/C5cc01587A","","","0.71073","MoKα","","0.0784","0.0569","","","0.1407","0.1877","","","","","","0.908","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117084","10.681","0.0019","19.442","0.004","11.152","0.002","90","","101.368","0.004","90","","2270.4","0.7","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(indol-2-yl)benzene dimethylsilyl complex","","- C25 H21 Cl3 N2 Si -","- C25 H21 Cl3 N2 Si -","- C100 H84 Cl12 N8 Si4 -","4","1","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.029","0.0277","","","0.0751","0.0758","","","","","","1.039","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117085","14.1331","0.0003","7.8144","0.0001","18.4958","0.0003","90","","102.186","0.001","90","","1996.68","0.06","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,2-bis(indol-2-yl)benzene diethylsilyl complex","","- C26 H24 N2 Si -","- C26 H24 N2 Si -","- C104 H96 N8 Si4 -","4","1","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.0592","0.0461","","","0.1035","0.1126","","","","","","1.073","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117086","21.767","0.004","12.983","0.002","19.854","0.004","90","","108.48","0.004","90","","5321.4","1.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis(indol-2-yl)benzene diphenylsilyl complex","","- C36 H28 N2 O0.5 Si -","- C36 H28 N2 O0.5 Si -","- C288 H224 N16 O4 Si8 -","8","1","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.0365","0.0348","","","0.0919","0.0939","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117087","13.156","0.003","13.156","0.003","28.415","0.008","90","","90","","120","","4259.2","1.8","93","2","93","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","1,2-bis(indol-2-yl)benzene di(4-methyl)phenylsilyl complex","","- C73 H58 Cl2 N4 Si2 -","- C73 H58 Cl2 N4 Si2 -","- C219 H174 Cl6 N12 Si6 -","3","0.5","","Takayuki Tanaka; Atsuhiro Osuka","Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state","Chem.Commun.","2015","51","","8123","","10.1039/C5cc01625H","","","1.54187","CuKα","","0.0275","0.0269","","","0.0716","0.0719","","","","","","1.03","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117088","24.748","0.005","32.354","0.005","21.712","0.005","90","0.005","90","0.005","90","0.005","17385","6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H22 Cu4 N2 O18 S2 -","- C22 H14 Cu4 N2 O18 S2 -","- C352 H224 Cu64 N32 O288 S32 -","16","1","","Xing; Meng,ab; Shu-Yan Song; Xue-Zhi Song; Min Zhu; Shu-Na Zhao; Lan-Lan Wu; Hong-Jie Zhang","A tetranuclear copper cluster-based MOF with sulfonate-carboxylate ligands exhibiting high proton conduction properties","Chem.Commun.","2015","51","","8150","","10.1039/C5cc01732G","","","0.71069","MoKα","","0.1028","0.0658","","","0.1737","0.1902","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7117089","10.271","0.002","20.397","0.004","17.702","0.004","90","","105.15","0.03","90","","3579.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 Fe2 N2 O2 -","- C40 H38 Cl2 Fe2 N2 O2 -","- C160 H152 Cl8 Fe8 N8 O8 -","4","1","","Fabio Marchetti; Stefano Zacchini; Valerio Zanotti","Carbon monoxide-isocyanide coupling promoted by acetylide addition to a diiron complex","Chem.Commun.","2015","51","","8101","","10.1039/C5cc01958C","","","0.71073","MoKα","","0.0685","0.0592","","","0.1395","0.1446","","","","","","1.144","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117090","16.505","0.003","14.661","0.003","17.918","0.003","90","","111.59","0.002","90","","4031.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H43 Fe2 N2 O2.5 -","- C42 H43 Fe2 N2 O2.5 -","- C168 H172 Fe8 N8 O10 -","4","1","","Fabio Marchetti; Stefano Zacchini; Valerio Zanotti","Carbon monoxide-isocyanide coupling promoted by acetylide addition to a diiron complex","Chem.Commun.","2015","51","","8101","","10.1039/C5cc01958C","","","0.71073","MoKα","","0.1502","0.0868","","","0.2346","0.282","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117091","12.70025","0.0001","21.30927","0.00015","15.21998","0.0001","90","","93.2975","0.0006","90","","4112.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H39 Cu F12 N5 P2 -","- C43 H39 Cu F12 N5 P2 -","- C172 H156 Cu4 F48 N20 P8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0465","0.0449","","","0.1197","0.1234","","","","","","1.033","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117092","18.1611","0.0002","52.0625","0.0009","20.5495","0.0003","90","","106.087","0.001","90","","18669","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H78 Cl2 Cu2 Fe N8 O8 -","- C90 H78 Cl2 Cu2 Fe N8 O8 -","- C720 H624 Cl16 Cu16 Fe8 N64 O64 -","8","2","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.1182","0.1085","","","0.293","0.3008","","","","","","1.071","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117093","5.8216","0.0001","15.604","0.0004","19.8079","0.0004","90","","91.3","0.002","90","","1798.89","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Fe I N2 -","- C22 H15 Fe I N2 -","- C88 H60 Fe4 I4 N8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0533","0.0513","","","0.1417","0.1451","","","","","","1.035","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117094","15.622","0.005","9.169","0.005","17.531","0.005","90","","102.084","0.005","90","","2455.5","1.7","99.98","0.14","99.98","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Fe N4 -","- C34 H22 Fe N4 -","- C136 H88 Fe4 N16 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","0.71069","MoKα","","0.0801","0.0698","","","0.1822","0.1907","","","","","","1.051","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117095","23.8585","0.0013","6.8313","0.0004","10.025","0.0006","90","","90","","90","","1633.92","0.16","100.01","0.13","100.01","0.13","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.045","0.0389","","","0.1055","0.1087","","","","","","1.177","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117096","7.396","0.0002","10.9122","0.0002","11.2342","0.0003","90","","104.382","0.003","90","","878.26","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 F6 Fe N P -","- C18 H16 F6 Fe N P -","- C36 H32 F12 Fe2 N2 P2 -","2","1","","Scottwell, Synøve Ø.; Elliott, Anastasia B. S.; Shaffer, Karl J.; Nafady, Ayman; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","Chemically and electrochemically induced expansion and contraction of a ferrocene rotor","Chemical Communications (Cambridge, United Kingdom)","2015","51","38","8161","8164","10.1039/c5cc01973g","","","1.54184","CuKα","","0.0386","0.0355","","","0.089","0.091","","","","","","1.054","","","","has coordinates","210741","2020-10-21","18:00:00",""
"7117097","6.0119","0.0006","15.806","0.0014","8.3765","0.0008","90","","98.292","0.009","90","","787.65","0.13","290.92","0.1","290.92","0.1","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H19 Br -","- C20 H19 Br -","- C40 H38 Br2 -","2","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Xin-Hua Hao; Yu Xia; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed ring opening of norbornene: efficient synthesis of methylenecyclopentane derivatives","Chem.Commun.","2015","51","","8031","","10.1039/C5cc02246K","","","0.71073","MoKα","","0.0736","0.0508","","","0.0853","0.0999","","","","","","1.045","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117098","17.781","0.0008","15.3478","0.0009","6.0728","0.0002","90","","99.114","0.005","90","","1636.34","0.13","294.68","0.1","294.68","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Xin-Hua Hao; Yu Xia; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed ring opening of norbornene: efficient synthesis of methylenecyclopentane derivatives","Chem.Commun.","2015","51","","8031","","10.1039/C5cc02246K","","","0.71073","MoKα","","0.1235","0.0705","","","0.1524","0.1875","","","","","","1.075","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117099","7.103","0.001","9.028","0.001","13.105","0.002","90.17","0.02","94.67","0.02","90.44","0.02","837.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis, cis, trans-dichloro-diammine-acetamidato-hydroxido platinum(IV)","","- C2 H11 Cl2 N3 O2 Pt -","- C2 H11 Cl2 N3 O2 Pt -","- C8 H44 Cl8 N12 O8 Pt4 -","4","2","","Giorgio Pelosi; Mauro Ravera; Elisabetta Gabano; Federico Fregonese; Domenico Osella","Unprecedented one-pot synthesis of an unsymmetrical cisplatin-based Pt(IV)-acetamidato complex","Chem.Commun.","2015","51","","8051","","10.1039/C5cc02477C","","","0.71073","MoKα","","0.0664","0.0483","","","0.1149","0.1252","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117100","10.9624","0.0005","11.2771","0.0005","12.2022","0.0006","90","","90","","90","","1508.49","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(tert-butyl)-6,9-dimethoxy-2-azaspiro[4.5]deca-6,9-diene-1,8-dione","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Alejandra Millan-Ortiz; German Lopez-Valdez; Fernando Cortez-Guzman; Luis D. Miranda","A novel carbamoyl radical based dearomatizing spiroacylation process","Chem.Commun.","2015","51","","8345","","10.1039/C4cc06192F","","","0.71073","MoKα","","0.0504","0.0408","","","0.0939","0.1009","","","","","","1.035","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117101","19.318","0.0005","7.18486","0.00015","19.6634","0.0005","90","","90","","90","","2729.22","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br N -","- C15 H14 Br N -","- C120 H112 Br8 N8 -","8","1","","Johannes F. Franz; Wolfgang B. Kraus; Kirsten Zeitler","No photocatalyst required ‒ versatile, visible light mediated transformations with polyhalomethanes","Chem.Commun.","2015","51","","8280","","10.1039/C4cc10270C","","x-ray","1.54184","CuKα","","0.0477","0.044","","","0.1266","0.1307","","","","","","1.104","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117102","28.7283","0.0016","28.7283","0.0016","12.1809","0.0009","90","","90","","90","","10053.1","1.1","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C76 H28 F10 O2 -","- C76 H28 F10 O2 -","- C608 H224 F80 O16 -","8","","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.1071","0.0648","","","0.1841","0.2043","","","","","","1.234","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117103","10.3234","0.0009","15.5838","0.0014","13.5017","0.0012","90","","102.531","0.002","90","","2120.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H20 Cl6 F10 O4 -","- C46 H20 Cl6 F10 O4 -","- C92 H40 Cl12 F20 O8 -","2","0.5","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.0475","0.0408","","","0.146","0.1549","","","","","","1.268","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117104","26.962","0.007","13.616","0.003","24.071","0.005","90","","97.746","0.008","90","","8756","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","isophlorin-fullerene","","","- C82 H9 F5 O2 -","- C82 H9 F5 O2 -","- C656 H72 F40 O16 -","8","1","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.1431","0.061","","","0.1514","0.1919","","","","","","1.022","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117105","15.928","0.002","19.014","0.002","20.624","0.003","101.456","0.007","110.099","0.007","108.543","0.007","5218.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78.25 H24 F10 O4.75 -","- C78.25 H24 F10 O4.75 -","- C313 H96 F40 O19 -","4","2","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","1.54178","CuKα","","0.1277","0.0992","","","0.3163","0.3566","","","","","","1.197","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117106","14.649","0.004","10.269","0.003","8.425","0.002","90","","99.012","0.006","90","","1251.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H10 F10 O4 -","- C32 H10 F10 O4 -","- C64 H20 F20 O8 -","2","0.5","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.05","0.0383","","","0.1021","0.1102","","","","","","1.035","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117107","27.439","0.004","9.7293","0.0013","23.787","0.003","90","","97.272","0.003","90","","6299.2","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C106 H26 F10 O4 -","- C106 H26 F10 O4 -","- C424 H104 F40 O16 -","4","1","","Baddigam Kiran Reddy; Santosh C. Gadekar; Venkataramanarao G. Anand","Non-covalent composites of antiaromatic isophlorin-fullerene","Chem.Commun.","2015","51","","8276","","10.1039/C5cc00771B","","","0.71073","MoKα","","0.0993","0.0613","","","0.1794","0.1995","","","","","","1.214","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117108","8.2865","0.0012","8.2865","0.0012","13.88","0.003","90","","90","","120","","825.4","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O12 -","- C8 H13.98 Cr Mn N0.99 O12 -","- C16 H27.96 Cr2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0356","0.0333","","","0.0805","0.0817","","","","","","1.234","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117109","8.2708","0.0012","8.2708","0.0012","14.088","0.003","90","","90","","120","","834.6","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C7 H12 Cr Mn N O12 -","- C7 H12 Cr Mn N0.99 O12 -","- C14 H24 Cr2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0478","0.0442","","","0.1252","0.1275","","","","","","1.209","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117110","8.2179","0.0012","8.2179","0.0012","13.646","0.003","90","","90","","120","","798.1","0.2","113","2","113","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Al Mn N O12 -","- C8 H13.98 Al Mn N0.99 O12 -","- C16 H27.96 Al2 Mn2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0365","0.0352","","","0.1018","0.1028","","","","","","1.12","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117111","8.1565","0.0012","8.1565","0.0012","13.705","0.003","90","","90","","120","","789.6","0.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mg N O12 -","- C8 H13.98 Cr Mg N0.99 O12 -","- C16 H27.96 Cr2 Mg2 N1.98 O24 -","2","0.166667","","Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu","A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes","Chem.Commun.","2015","51","","8288","","10.1039/C5cc00915D","","","0.71073","MoKα","","0.0623","0.0543","","","0.1124","0.1157","","","","","","1.232","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117112","28.986","0.015","12.887","0.007","19.067","0.009","90","","92.619","0.012","90","","7115","6","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 Cu N2 O S Si -","- C34 H53 Cu N2 O S Si -","- C272 H424 Cu8 N16 O8 S8 Si8 -","8","1","","Mahmood Azizpoor Fard; Florian Weigend; John F. Corrigan","Simple but effective: thermally stable Cu-ESiMe3via NHC ligation","Chem.Commun.","2015","51","","8361","","10.1039/C5cc00940E","","","0.71073","MoKα","","0.108","0.0573","","","0.1633","0.2016","","","","","","1.195","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117113","29.597","0.006","12.842","0.003","19.184","0.004","90","","93.196","0.005","90","","7280","3","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 Cu N2 O Se Si -","- C34 H53 Cu N2 O Se Si -","- C272 H424 Cu8 N16 O8 Se8 Si8 -","8","1","","Mahmood Azizpoor Fard; Florian Weigend; John F. Corrigan","Simple but effective: thermally stable Cu-ESiMe3via NHC ligation","Chem.Commun.","2015","51","","8361","","10.1039/C5cc00940E","","","0.71073","MoKα","","0.0625","0.0365","","","0.1025","0.1284","","","","","","1.081","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117114","9.789","0.003","21.443","0.011","15.58","0.006","90","","100.673","0.019","90","","3214","2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Cu N2 Si Te -","- C30 H45 Cu N2 Si Te -","- C120 H180 Cu4 N8 Si4 Te4 -","4","1","","Mahmood Azizpoor Fard; Florian Weigend; John F. Corrigan","Simple but effective: thermally stable Cu-ESiMe3via NHC ligation","Chem.Commun.","2015","51","","8361","","10.1039/C5cc00940E","","","0.71073","MoKα","","0.0328","0.0249","","","0.0836","0.0984","","","","","","1.313","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117115","13.026","0.003","16.803","0.003","16.264","0.004","90","","106.93","0.03","90","","3405.5","1.4","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 Cl8 Cu2 Hg N4 S2 -","- C58 H80 Cl8 Cu2 Hg N4 S2 -","- C116 H160 Cl16 Cu4 Hg2 N8 S4 -","2","0.5","","Mahmood Azizpoor Fard; Florian Weigend; John F. Corrigan","Simple but effective: thermally stable Cu-ESiMe3via NHC ligation","Chem.Commun.","2015","51","","8361","","10.1039/C5cc00940E","","","0.71073","MoKα","","0.0658","0.0518","","","0.1454","0.1676","","","","","","1.216","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117116","7.9902","0.0017","11.043","0.002","13.43","0.004","105.463","0.006","102.922","0.006","107.508","0.004","1028","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 N O4 S Zn -","- C26 H15 N O4 S Zn -","- C52 H30 N2 O8 S2 Zn2 -","2","1","","Zhi-Qiang Shi; Zi-Jian Guo; He-Gen Zheng","Two luminescent Zn(II) metal-organic frameworks for exceptionally selective detection of picric acid explosives","Chem.Commun.","2015","51","","8300","","10.1039/C5cc00987A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1089","0.1249","","","","","","1.034","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117117","18.379","0.0019","10.6606","0.0011","31.736","0.003","90","","90","","90","","6218.1","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H24 N4 O4 S Zn -","- C36 H24 N4 O4 S Zn -","- C288 H192 N32 O32 S8 Zn8 -","8","1","","Zhi-Qiang Shi; Zi-Jian Guo; He-Gen Zheng","Two luminescent Zn(II) metal-organic frameworks for exceptionally selective detection of picric acid explosives","Chem.Commun.","2015","51","","8300","","10.1039/C5cc00987A","","","0.71073","MoKα","","0.0647","0.0512","","","0.1629","0.1735","","","","","","1.085","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117118","12.848","0.003","14.185","0.003","15.785","0.003","114.87","0.003","97.126","0.004","109.338","0.003","2343.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 Co N3 O8 -","- C48 H47 Co N3 O8 -","- C96 H94 Co2 N6 O16 -","2","1","","Chuan-Lei Zhang; Yan-Le Li; Ting Wang; Ze-Min Ju; He-Gen Zheng; Jing Ma","Three different metal-organic frameworks derived from a one-pot crystallization and their controllable synthesis","Chem.Commun.","2015","51","","8338","","10.1039/C5cc01072A","","","0.71073","MoKα","","0.0848","0.0581","","","0.1514","0.17","","","","","","1.113","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117119","10.6129","0.0004","14.9365","0.0006","18.7658","0.0008","108.987","0.001","92.348","0.001","106.134","0.001","2673.7","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H65 Co N4 O11 -","- C60 H65 Co N4 O11 -","- C120 H130 Co2 N8 O22 -","2","1","","Chuan-Lei Zhang; Yan-Le Li; Ting Wang; Ze-Min Ju; He-Gen Zheng; Jing Ma","Three different metal-organic frameworks derived from a one-pot crystallization and their controllable synthesis","Chem.Commun.","2015","51","","8338","","10.1039/C5cc01072A","","","0.71073","MoKα","","0.1067","0.0608","","","0.1484","0.1722","","","","","","1.004","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117120","26.758","0.009","10.635","0.004","29.565","0.008","90","","116.906","0.011","90","","7503","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Co3 N4 O14 -","- C72 H64 Co3 N4 O14 -","- C288 H256 Co12 N16 O56 -","4","0.5","","Chuan-Lei Zhang; Yan-Le Li; Ting Wang; Ze-Min Ju; He-Gen Zheng; Jing Ma","Three different metal-organic frameworks derived from a one-pot crystallization and their controllable synthesis","Chem.Commun.","2015","51","","8338","","10.1039/C5cc01072A","","","0.71073","MoKα","","0.142","0.0634","","","0.1193","0.1309","","","","","","1.003","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117121","13.62","0.0003","13.62","0.0003","22.0245","0.0007","90","","90","","90","","4085.64","0.18","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H25 Cl3 F10 N6 O2 -","- C46 H25 Cl3 F10 N6 O2 -","- C184 H100 Cl12 F40 N24 O8 -","4","1","","Rafal Orlowski; Olena Vakuliuk; Maria Pia Gullo; Oksana Danylyuk; Barbara Ventura; Beata Koszarna; Anna Tarnowska; Nina Jaworska; Andrea Barbieri; Daniel T. Gryko","Self-assembling corroles","Chem.Commun.","2015","51","","8284","","10.1039/C5cc01306B","","","1.54184","CuKα","","0.0563","0.0514","","","0.1319","0.1372","","","","","","0.868","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117122","11.084","0.0009","13.9124","0.0012","15.6917","0.0013","95.169","0.007","107.245","0.007","111.916","0.008","2088.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Cl3 F10 N5 O2 -","- C44 H28 Cl3 F10 N5 O2 -","- C88 H56 Cl6 F20 N10 O4 -","2","1","","Rafal Orlowski; Olena Vakuliuk; Maria Pia Gullo; Oksana Danylyuk; Barbara Ventura; Beata Koszarna; Anna Tarnowska; Nina Jaworska; Andrea Barbieri; Daniel T. Gryko","Self-assembling corroles","Chem.Commun.","2015","51","","8284","","10.1039/C5cc01306B","","","1.54184","CuKα","","0.1284","0.0992","","","0.2952","0.3135","","","","","","1.067","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117123","5.996","0.002","7.348","0.003","13.198","0.005","87.325","0.008","86.01","0.008","71.49","0.008","549.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","2N-Nornorrole","","- C30 H8 F10 N4 -","- C30 H8 F10 N4 -","- C30 H8 F10 N4 -","1","0.5","","Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand","Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes","Chem.Commun.","2015","51","","8342","","10.1039/C5cc01367D","","","0.71073","MoKα","","0.0576","0.0385","","","0.1017","0.1124","","","","","","1.043","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117124","28.021","0.012","11.565","0.005","7.319","0.003","90","","95.576","0.01","90","","2360.6","1.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1N-Nornorrole","","- C30 H8 F10 N4 O -","- C30 H8 F10 N4 O -","- C120 H32 F40 N16 O4 -","4","1","","Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand","Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes","Chem.Commun.","2015","51","","8342","","10.1039/C5cc01367D","","","0.71073","MoKα","","0.1812","0.0793","","","0.1859","0.2303","","","","","","1.111","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117125","6.1461","0.0011","7.3648","0.0013","14.031","0.003","76.834","0.004","82.082","0.004","72.763","0.004","588.95","0.19","100","","100","","","","","","","","","4","P 1","P 1","1","","1N-Methyl Nornorrole","","- C31 H10 F10 N4 -","- C31 H10 F10 N4 -","- C31 H10 F10 N4 -","1","1","","Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand","Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes","Chem.Commun.","2015","51","","8342","","10.1039/C5cc01367D","","","0.71073","MoKα","","0.0927","0.0484","","","0.1298","0.1616","","","","","","0.963","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117126","14.7778","0.0003","14.8566","0.0003","31.0576","0.0007","90","","90","","90","","6818.6","0.2","10","5","10","5","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H72 Mo2 N32 O11 Zn4 -","- C40 H72 Mo2 N32 O11 Zn4 -","- C160 H288 Mo8 N128 O44 Zn16 -","4","1","","N. Bridonneau; J. Long; J.-L. Cantin; J. von Bardeleben; S. Pillet; E.-E. Bendeif; D. Aravena; E. Ruiz; V. Marvaud","First evidence of light-induced spin transition in molybdenum(IV)","Chem.Commun.","2015","51","","8229","","10.1039/C5cc01714A","","","0.71073","MoKα","","0.0415","0.0381","","","0.0917","0.0947","","","","","","1.045","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117127","8.6053","0.0013","18.642","0.003","12.19","0.002","90","","98.319","0.005","90","","1934.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N4 O11 S -","- C36 H48 N4 O12 S2 -","- C72 H96 N8 O24 S4 -","2","0.5","","M. Pandeeswar; Harshavardhan Khare; Suryanarayanarao Ramakumar; T. Govindaraju","Crystallographic insight-guided nanoarchitectonics and conductivity modulation of an n-type organic semiconductor through peptide conjugation","Chem.Commun.","2015","51","","8315","","10.1039/C5cc01996F","","","0.71073","MoKα","","0.0926","0.0622","","","0.1601","0.1781","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117128","9.942","0.005","14.412","0.005","18.805","0.005","90","","90","","90","","2694.5","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C112 H112 N16 O40 -","4","1","","M. Pandeeswar; Harshavardhan Khare; Suryanarayanarao Ramakumar; T. Govindaraju","Crystallographic insight-guided nanoarchitectonics and conductivity modulation of an n-type organic semiconductor through peptide conjugation","Chem.Commun.","2015","51","","8315","","10.1039/C5cc01996F","","","0.71073","MoKα","","0.0939","0.0768","","","0.1848","0.2021","","","","","","1.041","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117129","9.9943","0.0015","14.47","0.002","18.796","0.003","90","","90","","90","","2718.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C112 H112 N16 O40 -","4","1","","M. Pandeeswar; Harshavardhan Khare; Suryanarayanarao Ramakumar; T. Govindaraju","Crystallographic insight-guided nanoarchitectonics and conductivity modulation of an n-type organic semiconductor through peptide conjugation","Chem.Commun.","2015","51","","8315","","10.1039/C5cc01996F","","","0.71073","MoKα","","0.0721","0.0521","","","0.1127","0.1211","","","","","","1.049","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117130","8.0879","0.0003","27.2026","0.0011","10.7134","0.0004","90","","93.374","0.001","90","","2352.99","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 5-benzoyl-4-(4-bromophenyl)-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-carboxylate","","- C27 H21 Br O5 -","- C27 H21 Br O5 -","- C108 H84 Br4 O20 -","4","1","","Jieru Yang; Ao Mao; Zhenting Yue; Wenxuan Zhu; Xuewei Luo; Chuwei Zhu; Yuanjing Xiao; Junliang Zhang","A simple base-mediated synthesis of diverse functionalized ring-fluorinated 4H-pyrans via double direct C-F substitutions","Chem.Commun.","2015","51","","8326","","10.1039/C5cc02073E","","","0.71073","MoKα","","0.0536","0.0368","","","0.0849","0.0937","","","","","","1.022","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117131","25.8977","0.0009","8.7711","0.0003","11.9279","0.0004","90","","111.181","0.001","90","","2526.4","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(6-fluoro-2-methyl-5-(phenylethynyl)-4H-pyran-3-yl)ethanone","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C128 H104 F8 O16 -","8","1","","Jieru Yang; Ao Mao; Zhenting Yue; Wenxuan Zhu; Xuewei Luo; Chuwei Zhu; Yuanjing Xiao; Junliang Zhang","A simple base-mediated synthesis of diverse functionalized ring-fluorinated 4H-pyrans via double direct C-F substitutions","Chem.Commun.","2015","51","","8326","","10.1039/C5cc02073E","","","0.71073","MoKα","","0.0414","0.0348","","","0.0902","0.0959","","","","","","1.057","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117132","9.3195","0.0004","10.8944","0.0005","14.3609","0.0007","90","","90","","90","","1458.07","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O3 -","- C18 H12 Cl N O3 -","- C72 H48 Cl4 N4 O12 -","4","1","","Lin, Youqiang; Yang, Limin; Deng, Yue; Zhong, Guofu","Cooperative catalysis of N-heterocyclic carbene and Brønsted acid for a highly enantioselective route to unprotected spiro-indoline-pyrans","Chemical Communications (Cambridge, United Kingdom)","2015","51","39","8330","8333","10.1039/c5cc02096d","","","0.71073","MoKα","","0.0637","0.0351","","","0.0724","0.0917","","","","","","1.003","","","","has coordinates","211001","2020-10-21","18:00:00",""
"7117133","5.897","0.002","13.924","0.005","12.852","0.004","90","","96.001","0.01","90","","1049.5","0.6","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl3 F2 N O Pt S -","- C20 H16 Cl3 F2 N O Pt S -","- C40 H32 Cl6 F4 N2 O2 Pt2 S2 -","2","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0306","0.0285","","","0.0642","0.0648","","","","","","1.004","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117134","23.9938","0.0006","12.5106","0.0003","12.1687","0.0003","90","","107.325","0.003","90","","3487.04","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F2 N P Pt -","- C20 H18 F2 N P Pt -","- C160 H144 F16 N8 P8 Pt8 -","8","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0268","0.0214","","","0.0461","0.0484","","","","","","1.072","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117135","14.9738","0.0003","15.8809","0.0004","24.6498","0.0008","90","","90","","90","","5861.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Cl2 F2 N P Pt -","- C29 H36 Cl2 F2 N P Pt -","- C232 H288 Cl16 F16 N8 P8 Pt8 -","8","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0467","0.0309","","","0.0562","0.0611","","","","","","1.087","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117136","42.5003","0.0007","8.95573","0.00017","15.7762","0.0002","90","","92.949","0.0014","90","","5996.8","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H36.5 Cl3.5 F2 N P Pt -","- C29.5 H36.5 Cl3.5 F2 N P Pt -","- C236 H292 Cl28 F16 N8 P8 Pt8 -","8","2","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0421","0.0365","","","0.0631","0.0647","","","","","","1.196","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7117137","17.9634","0.0006","13.9987","0.0004","11.0698","0.0004","90","","90","","90","","2783.66","0.16","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H36 Cl2 F2 N P Pt -","- C29 H36 Cl2 F2 N P Pt -","- C116 H144 Cl8 F8 N4 P4 Pt4 -","4","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","x-ray","0.71073","MoKα","","0.0692","0.0406","","","0.0681","0.0771","","","","","","1.006","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117138","17.0287","0.0017","18.1277","0.0017","29.437","0.003","90","","90","","90","","9086.9","1.6","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C82 H20 Cl4 -","- C82 H20 Cl4 -","- C656 H160 Cl32 -","8","1","","Ran Tao; Tomokazu Umeyama; Tomohiro Higashino; Tomoyuki Koganezawa; Hiroshi Imahori","A single cis-2 regioisomer of ethylene-tethered indene dimer-fullerene adduct as an electron-acceptor in polymer solar cells","Chem.Commun.","2015","51","","8233","","10.1039/C5cc01712B","","","0.7107","MoKα","","0.0554","0.0495","","","0.131","0.1372","","","","","","1.048","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117139","16.4359","0.0008","15.6364","0.0007","19.2398","0.0014","90","","92.863","0.006","90","","4938.4","0.5","143.15","","143.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H71 B2 F8 N4 Ni O6.5 -","- C44 H41 B2 F8 N4 Ni O6.5 -","- C176 H164 B8 F32 N16 Ni4 O26 -","4","2","","Yulong Zhang; Na Yang; Xiaohua Liu; Jing Guo; Xiying Zhang; Lili Lin; Changwei Hu; Xiaoming Feng","Reversal of enantioselective Friedel-Crafts C3-alkylation of pyrrole by slightly tuning the amide units of N,N'-dioxide ligands","Chem.Commun.","2015","51","","8432","","10.1039/C4cc10055G","","","0.71073","MoKα","","0.186","0.1054","","","0.2645","0.3131","","","","","","0.995","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117140","16.452","0.0005","8.8684","0.0003","22.2394","0.0006","90","","110.682","0.003","90","","3035.68","0.17","112","3","112","3","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C55 H92 B2 F8 N4 Ni O8 -","- C55 H92 B2 F8 N4 Ni O8 -","- C110 H184 B4 F16 N8 Ni2 O16 -","2","0.5","","Yulong Zhang; Na Yang; Xiaohua Liu; Jing Guo; Xiying Zhang; Lili Lin; Changwei Hu; Xiaoming Feng","Reversal of enantioselective Friedel-Crafts C3-alkylation of pyrrole by slightly tuning the amide units of N,N'-dioxide ligands","Chem.Commun.","2015","51","","8432","","10.1039/C4cc10055G","","x-ray","1.54184","CuKα","","0.048","0.047","","","0.1227","0.1244","","","","","","1.046","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117141","13.8787","0.0003","14.2041","0.0003","19.8693","0.0003","101.859","0.001","98.658","0.001","117.694","0.001","3254.49","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cel530","","","- C32 H24 B F15 Si2 -","- C32 H24 B F15 Si2 -","- C128 H96 B4 F60 Si8 -","4","2","","Christina Eller; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Unusual product formation in a 1,1-carboboration reaction","Chem.Commun.","2015","51","","8436","","10.1039/C5cc00734H","","","1.54178","CuKα","","0.0631","0.0451","","","0.107","0.1163","","","","","","1.036","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117142","8.6879","0.0001","6.4163","0.0001","34.7054","0.0005","90","","94.776","0.001","90","","1927.91","0.05","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Fe O4 -","- C23 H20 Fe O4 -","- C92 H80 Fe4 O16 -","4","1","","Tatsuo Okauchi; Naoki Sata; Akihiro Urakawa; Mitsuru Kitamura","Unprecedented formation of eta^46-(vinylketene)iron complexes from eta^4^-(diene)iron complexes and aromatic compounds in the presence of a Lewis acid","Chem.Commun.","2015","51","","8454","","10.1039/C5cc00870K","","","0.71073","MoKα","","0.0698","0.0523","","","0.0716","0.0728","","","","","","2.394","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117143","18.483","0.0017","18.483","0.0017","46.758","0.011","90","","90","","120","","13833","4","150","","150","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H33 Cu N3 O11.5 -","- C12 H5 Cu O5 -","- C216 H90 Cu18 O90 -","18","0.5","","Chengling Song; Yajing Ling; Yunlong Feng; Wei Zhou; Taner Yildirim; Yabing He","A NbO-type metal-organic framework exhibiting high deliverable capacity for methane storage","Chem.Commun.","2015","51","","8508","","10.1039/C5cc01055A","","","0.71073","MoKα","","0.1515","0.1081","","","0.2625","0.2771","","","","","","1.072","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117144","19.7928","0.0016","17.7591","0.0014","28.543","0.002","90","","90","","90","","10032.9","1.3","273","2","273","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C147 H182 N14 O56 Zn6 -","- C105 H80 O42 Zn6 -","- C210 H160 O84 Zn12 -","2","0.25","","Fei-Yan Yi; Hai-Long Jiang; Zhong-Ming Sun","Linearly bridging CO2 in a metal-organic framework","Chem.Commun.","2015","51","","8446","","10.1039/C5cc01244A","","","0.71073","MoKα","","0.1025","0.0538","","","0.1288","0.1377","","","","","","0.953","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117145","13.0849","0.0004","9.1297","0.0002","13.5767","0.0004","90","","93.893","0.003","90","","1618.15","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Sisir Lohar; Damir A. Safin; Archya Sengupta; Ansuman Chattopadhyay; Jesus Sanmartin Matalobos; Maria G. Babashkina; Koen Robeyns; Mariusz P. Mitoraj; Piotr Kubisiak; Yann Garcia; Debasis Das","Ratiometric sensing of lysine through the formation of the pyrene excimer: experimental and computational studies","Chem.Commun.","2015","51","","8536","","10.1039/C5cc01359C","","","0.71073","MoKα","","0.0708","0.0473","","","0.1067","0.1199","","","","","","1.011","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117146","4.2713","0.0012","14.11","0.004","25.725","0.007","90","","91.832","0.005","90","","1549.6","0.7","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","DDJS-60","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Sisir Lohar; Damir A. Safin; Archya Sengupta; Ansuman Chattopadhyay; Jesus Sanmartin Matalobos; Maria G. Babashkina; Koen Robeyns; Mariusz P. Mitoraj; Piotr Kubisiak; Yann Garcia; Debasis Das","Ratiometric sensing of lysine through the formation of the pyrene excimer: experimental and computational studies","Chem.Commun.","2015","51","","8536","","10.1039/C5cc01359C","","x-ray","0.71073","MoKα","","0.071","0.0457","","","0.107","0.12","","","","","","1.04","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117147","25.012","0.003","13.9336","0.0015","25.099","0.003","90","","111.913","0.001","90","","8115.2","1.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Al Cr F24 O7 -","- C31 H30 Al Cr F24 O7 -","- C248 H240 Al8 Cr8 F192 O56 -","8","2","","Wenqing Wang; Xingyong Wang; Zaichao Zhang; Ningning Yuan; Xinping Wang","The long-sought seventeen-electron radical [(C6Me6)Cr(CO)3]+: isolation, crystal structure and substitution reaction","Chem.Commun.","2015","51","","8410","","10.1039/C5cc01941A","","","0.71073","MoKα","","0.1098","0.0867","","","0.2292","0.2434","","","","","","1.181","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117148","19.1442","0.0012","34.536","0.002","19.5979","0.0012","90","","119.074","0.001","90","","11324.7","1.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H33 Al Cr F36 O6 P -","- C48 H33 Al Cr F36 O6 P -","- C384 H264 Al8 Cr8 F288 O48 P8 -","8","2","","Wenqing Wang; Xingyong Wang; Zaichao Zhang; Ningning Yuan; Xinping Wang","The long-sought seventeen-electron radical [(C6Me6)Cr(CO)3]+: isolation, crystal structure and substitution reaction","Chem.Commun.","2015","51","","8410","","10.1039/C5cc01941A","","","0.71073","MoKα","","0.0592","0.0439","","","0.1274","0.1451","","","","","","1.109","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7117149","8.649","0.004","9.593","0.004","17.771","0.008","90.671","0.007","99.551","0.007","116.355","0.007","1296.8","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cr O2 P -","- C32 H33 Cr O2 P -","- C64 H66 Cr2 O4 P2 -","2","1","","Wenqing Wang; Xingyong Wang; Zaichao Zhang; Ningning Yuan; Xinping Wang","The long-sought seventeen-electron radical [(C6Me6)Cr(CO)3]+: isolation, crystal structure and substitution reaction","Chem.Commun.","2015","51","","8410","","10.1039/C5cc01941A","","","0.71073","MoKα","","0.1237","0.0832","","","0.1916","0.2212","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7117150","7.323","0.005","12.346","0.009","9.152","0.006","90","","108.447","0.017","90","","784.9","0.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 O2 S -","- C18 H20 O2 S -","- C36 H40 O4 S2 -","2","1","","Ryosuke Takechi; Takahiro Nishimura","Enantioselective 1,4-addition of cyclopropylboronic acid catalyzed by rhodium/chiral diene complexes","Chem.Commun.","2015","51","","8528","","10.1039/C5cc02140E","","","1.54187","CuKα","","0.0336","0.0323","","","0.0822","0.0839","","","","","","1.026","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117151","37.215","0.0082","14.101","0.0031","9.619","0.0021","90","","96.595","0.0055","90","","5014.3","1.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N?-((2,2?-dimethyl)propyl)bis(3',4'-diethyl-[2,2':5',2''-terthiophen]-5-yl)salcylidenimine","","- C51 H50 N2 O2 S6 -","- C51 H50 N2 O2 S6 -","- C204 H200 N8 O8 S24 -","4","0.5","","Minh T. Nguyen; Bradley J. Holliday","Direct insights into metal-induced conductivity enhancement in conducting metallopolymers","Chem.Commun.","2015","51","","8610","","10.1039/C5cc01719J","","","0.71073","MoKα","","0.1165","0.0721","","","0.1699","0.1927","","","","","","1.041","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117152","9.6546","0.0002","10.6457","0.0002","17.115","0.0003","90","","90.385","0.002","90","","1759.04","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18.86 H19 Ag I0.14 N3.86 -","- C18.8644 H19 Ag I0.1356 N3.8644 -","- C75.4576 H76 Ag4 I0.5424 N15.4576 -","4","1","","Rachael Heath; Helge Muller-Bunz; Martin Albrecht","Silver(I) NHC mediated C-C bond activation of alkyl nitriles and catalytic efficiency in oxazoline synthesis","Chem.Commun.","2015","51","","8699","","10.1039/C5cc02558C","","","0.71073","MoKα","","0.0336","0.0275","","","0.0632","0.0675","","","","","","1.061","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117153","9.59019","0.00008","10.57651","0.00009","17.1999","0.0002","90","","90.1567","0.0007","90","","1744.59","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Ag N4 -","- C19 H19 Ag N4 -","- C76 H76 Ag4 N16 -","4","1","","Rachael Heath; Helge Muller-Bunz; Martin Albrecht","Silver(I) NHC mediated C-C bond activation of alkyl nitriles and catalytic efficiency in oxazoline synthesis","Chem.Commun.","2015","51","","8699","","10.1039/C5cc02558C","","","0.71073","MoKα","","0.0226","0.0191","","","0.0445","0.0464","","","","","","1.043","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117154","10.4449","0.0008","7.9864","0.0006","11.2224","0.0009","90","","93.069","0.007","90","","934.8","0.13","292.88","0.1","292.88","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl F3 N2 O2 -","- C20 H16 Cl F3 N2 O2 -","- C40 H32 Cl2 F6 N4 O4 -","2","1","","Mingxia Ma; Yuanyuan Zhu; Quantao Sun; Xiaoyuan Li; Jinhuan Su; Long Zhao; Yanyan Zhao; Shuai Qiu; Wenjin Yan; Kairong Wang; Rui Wang","The asymmetric synthesis of CF3-containing spiro[pyrrolidin-3,2'-oxindole] through the organocatalytic 1,3-dipolar cycloaddition reaction","Chem.Commun.","2015","51","","8789","","10.1039/C4cc10216A","","","0.7107","MoKα","","0.0594","0.0471","","","0.0958","0.109","","","","","","1.053","","","","has coordinates","136160","2020-10-21","18:00:00",""
"7117155","6.8291","0.0012","12.139","0.002","14.882","0.003","90","","101.467","0.003","90","","1209.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br F3 N2 O -","- C11 H8 Br F3 N2 O -","- C44 H32 Br4 F12 N8 O4 -","4","1","","Mingxia Ma; Yuanyuan Zhu; Quantao Sun; Xiaoyuan Li; Jinhuan Su; Long Zhao; Yanyan Zhao; Shuai Qiu; Wenjin Yan; Kairong Wang; Rui Wang","The asymmetric synthesis of CF3-containing spiro[pyrrolidin-3,2'-oxindole] through the organocatalytic 1,3-dipolar cycloaddition reaction","Chem.Commun.","2015","51","","8789","","10.1039/C4cc10216A","","","0.71073","MoKα","","0.0411","0.0301","","","0.0769","0.082","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117156","16.112","0.0013","7.8274","0.0007","9.593","0.0008","90","","101.081","0.002","90","","1187.27","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-10-(10H-phenothiazin-3'-yl)propenal","","- C15 H11 N O S -","- C15 H11 N O S -","- C60 H44 N4 O4 S4 -","4","1","","Bhaskar Garg; Yong-Chien Ling","A highly selective phenothiazine-based fluorescence 'turn-on' indicator based on cyanide-promoted novel protection/deprotection mechanism","Chem.Commun.","2015","51","","8809","","10.1039/C5cc01626F","","","0.71073","MoKα","","0.0371","0.0302","","","0.0759","0.0798","","","","","","1.035","","","","has coordinates","136161","2020-10-21","18:00:00",""
"7117157","9.845","0.002","10.37","0.002","12.763","0.003","89.509","0.005","70.585","0.005","71.497","0.005","1158.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1S, 2S)-[1,1':3',1''-Terphenyl]-2'-yl 2-(4-bromophenyl)cyclobutanecarboxylate","","- C29 H23 Br O2 -","- C29 H23 Br O2 -","- C58 H46 Br2 O4 -","2","1","","Ya-Jing Chen; Tian-Jiao Hu; Chen-Guo Feng; Guo-Qiang Lin","Synthesis of chiral cyclobutanes via rhodium/diene-catalyzed asymmetric 1,4-addition: a dramatic ligand effect on the diastereoselectivity","Chem.Commun.","2015","51","","8773","","10.1039/C5cc02023A","","","0.71073","MoKα","","0.0679","0.0477","","","0.1218","0.1329","","","","","","1.042","","","","has coordinates","136162","2020-10-21","18:00:00",""
"7117158","7.4665","0.0009","9.3784","0.0011","10.5061","0.0013","85.468","0.003","75.25","0.003","67.203","0.002","655.7","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H4 F4 I N -","- C15 H4 F4 I N -","- C30 H8 F8 I2 N2 -","2","1","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0516","0.0416","","","0.0884","0.0917","","","","","","1.017","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117159","18.421","0.003","7.6185","0.0014","17.387","0.003","90","","90","","90","","2440.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H8 I N -","- C15 H8 I N -","- C120 H64 I8 N8 -","8","0.5","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0503","0.0406","","","0.0973","0.1008","","","","","","1.256","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117160","13.2997","0.0014","9.7019","0.0011","19.917","0.002","90","","102.415","0.003","90","","2509.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H4 Br F4 N -","- C15 H4 Br F4 N -","- C120 H32 Br8 F32 N8 -","8","2","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0479","0.0297","","","0.0638","0.0696","","","","","","1.043","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117161","5.7972","0.0009","8.6736","0.0014","12.715","0.002","73.612","0.003","85.418","0.003","86.061","0.003","610.7","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F2 N -","- C15 H6 Br F2 N -","- C30 H12 Br2 F4 N2 -","2","1","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0359","0.028","","","0.0634","0.0667","","","","","","1.076","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117162","17.893","0.004","7.5409","0.0014","17.168","0.003","90","","90","","90","","2316.5","0.8","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H8 Br N -","- C15 H8 Br N -","- C120 H64 Br8 N8 -","8","0.5","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.0402","0.0314","","","0.076","0.0782","","","","","","1.297","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117163","9.404","0.003","9.48","0.003","13.047","0.004","94.412","0.006","102.356","0.006","103.038","0.006","1097.3","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H9 N -","- C15 H9 N -","- C60 H36 N4 -","4","2","","Fanny Frausto; Zachary C. Smith; Terry E. Haas; Samuel W. Thomas III","Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions","Chem.Commun.","2015","51","","8825","","10.1039/C5cc02225H","","","0.71073","MoKα","","0.1216","0.0641","","","0.1753","0.2104","","","","","","1.034","","","","has coordinates","136163","2020-10-21","18:00:00",""
"7117164","22.639","0.005","5.0207","0.001","11.438","0.002","90","","93.54","0.03","90","","1297.6","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F2 N O4 -","- C16 H12 F4 O -","- C64 H48 F16 O4 -","4","1","","Rui Guo; Haodong Yang; Pingping Tang","Silver-catalyzed Meerwein arylation: intermolecular and intramolecular fluoroarylation of styrenes","Chem.Commun.","2015","51","","8829","","10.1039/C5cc02446C","","","0.71073","MoKα","","0.0856","0.0656","","","0.147","0.1617","","","","","","1.082","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7117165","11.5632","0.0004","12.4279","0.0004","19.2238","0.0009","90","","90","","90","","2762.58","0.18","100.01","0.1","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H36 Au Cl N8 O4 -","- C20 H36 Au Cl N8 O4 -","- C80 H144 Au4 Cl4 N32 O16 -","4","1","","Serebryanskaya, T. V.; Zolotarev, A. A.; Ott, I.","A novel aminotriazole-based NHC complex for the design of gold(i) anti-cancer agents: synthesis and biological evaluation","Med. Chem. Commun.","2015","6","6","1186","","10.1039/C5MD00185D","","","1.54184","CuKα","","0.0855","0.0804","","","0.2039","0.2075","","","","","","1.084","","","","has coordinates","143717","2020-10-21","18:00:00",""
"7117166","9.642","0.011","15.986","0.017","9.334","0.01","90","","92.708","0.012","90","","1437","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Ethylimidazolium Sulfate","","","- C10 H16 N4 O4 S -","- C10 H16 N4 O4 S -","- C40 H64 N16 O16 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0648","0.0472","","","0.1378","0.1499","","","","","","1.081","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117167","14.6766","0.0008","18.8388","0.0014","11.8862","0.0007","90","","90","","90","","3286.4","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Benzimidazolium sulfate","","","- C14 H14 N4 O4 S -","- C14 H14 N4 O4 S -","- C112 H112 N32 O32 S8 -","8","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0325","0.0308","","","0.0819","0.0828","","","","","","1.069","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117168","17.398","0.003","7.4436","0.0011","14.051","0.002","90","","105.38","0.001","90","","1754.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Methylbenzimidazolium Sulfate","","","- C16 H18 N4 O4 S -","- C16 H18 N4 O4 S -","- C64 H72 N16 O16 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0609","0.0411","","","0.1338","0.1498","","","","","","1.069","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117169","16.62","0.004","8.218","0.002","19.159","0.005","90","","90","","90","","2616.8","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-phenylbenzimidazolium Sulfate Ethanol Solvate","","","- C28 H28 N4 O5 S -","- C28 H28 N4 O5 S -","- C112 H112 N16 O20 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.1497","0.1023","","","0.2031","0.2235","","","","","","1.095","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117170","16.933","0.004","8.0337","0.0018","19.688","0.004","90","","90","","90","","2678.3","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-phenylbenzimidazolium Sulfate Methanol Solvate","","","- C28 H30 N4 O6 S -","- C28 H30 N4 O6 S -","- C112 H120 N16 O24 S4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.1148","0.065","","","0.159","0.1915","","","","","","1.045","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117171","18.5107","0.0019","18.5107","0.0019","18.953","0.002","90","","90","","90","","6494.2","1.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Benzimidazolium selenate","","","- C14 H14 N4 O4 Se -","- C14 H14 N4 O4 Se -","- C224 H224 N64 O64 Se16 -","16","2","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0449","0.029","","","0.0605","0.0663","","","","","","1.034","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117172","25.917","0.002","8.7717","0.0007","17.5915","0.0014","90","","100.377","0.001","90","","3933.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-methylbenzimidazolium selenate methanol solvate hydrate","","","- C17 H23 N4 O5.5 Se -","- C17 H23 N4 O5.5 Se -","- C136 H184 N32 O44 Se8 -","8","1","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0625","0.0387","","","0.085","0.0936","","","","","","1.045","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117173","9.611","0.004","10.852","0.004","11.918","0.005","83.339","0.006","72.175","0.005","88.808","0.005","1175.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-phenylbenzimidazolium selenate","","","- C26 H22 N4 O4 Se -","- C26 H22 N4 O4 Se -","- C52 H44 N8 O8 Se2 -","2","1","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.1047","0.0631","","","0.1338","0.1514","","","","","","1.003","","","","has coordinates","136594","2020-10-21","18:00:00",""
"7117174","17.3442","0.0012","8.0712","0.0006","19.5768","0.0014","90","","90","","90","","2740.5","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2-Phenylbenzimidazolium Selenate MeOH Solvate","","","- C28 H30 N4 O6 Se -","- C28 H30 N4 O6 Se -","- C112 H120 N16 O24 Se4 -","4","0.5","","Cristina Mottillo; Tomislav Friscic","Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure","Chem.Commun.","2015","51","","8924","","10.1039/C5cc01645B","","","0.71073","MoKα","","0.0619","0.0376","","","0.0772","0.0866","","","","","","1.043","","","","has coordinates,has disorder","136594","2020-10-21","18:00:00",""
"7117175","31.067","0.015","13.835","0.006","15.67","0.007","90","","93.254","0.011","90","","6724","5","150","","150","","","","","","","","unknown","3","C 1 2/c 1","-C 2yc","15","","2,17-Dioxo[3,3](4,4')biphenylophane","","- C30 H24 O2 -","- C30 H24 O2 -","- C360 H288 O24 -","12","1.5","","Suman Kalyan Samanta; Eduard Preis; Christian W. Lehmann; Richard Goddard; Saientan Bag; Prabal K. Maiti; Gunther Brunklaus; Ullrich Scherf","One-step synthesis of a cyclic 2,17-dioxo[3,3](4,4') biphenylophane and first preparation of a microporous polymer network from a macrocyclic precursor by cyclotrimerization","Chem.Commun.","2015","51","","9046","","10.1039/C5cc01654A","","","0.8","Mo-Kα","","0.1448","0.0858","","","0.1739","0.1979","","","","","","1.049","","","","has coordinates","136595","2020-10-21","18:00:00",""
"7117176","5.593","0.0001","8.107","0.0003","17.57","0.0005","90","","95.029","0.002","90","","793.6","0.04","293","1","293","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H11 F3 O S -","- C18 H11 F3 O S -","- C36 H22 F6 O2 S2 -","2","1","","Amparo Sanz-Marco; Gonzalo Blay; M. Carmen Munoz; Jose R. Pedro","Highly enantioselective copper(I)-catalyzed conjugate addition of 1,3-diynes to alpha,beta-unsaturated trifluoromethyl ketones","Chem.Commun.","2015","51","","8958","","10.1039/C5cc01676B","","","0.71073","MoKα","","0.0917","0.0689","","","0.1968","0.2313","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117177","19.2486","0.0002","10.9164","0.0001","12.4114","0.0001","90","","93.117","0.001","90","","2604.09","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C116 H124 N12 O24 -","4","1","","Dan Preston; Alyssa Fox-Charles; Warrick K. C. Lo; James D. Crowley","Chloride triggered reversible switching from a metallosupramolecular [Pd2L4]^4+^ cage to a [Pd2L2Cl4] metallo-macrocycle with release of endo- and exo-hedrally bound guests","Chem.Commun.","2015","51","","9042","","10.1039/C5cc02226F","","","1.54184","CuKα","","0.0444","0.0413","","","0.1046","0.1066","","","","","","1.098","","","","has coordinates","136597","2020-10-21","18:00:00",""
"7117178","14.8562","0.0005","16.5839","0.0005","16.9982","0.0004","117.401","0.003","93.11","0.002","114.691","0.003","3216.5","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C116 H132 B4 F16 N12 O28 Pd2 -","- C116 H132 B4 F16 N12 O28 Pd2 -","- C116 H132 B4 F16 N12 O28 Pd2 -","1","0.5","","Dan Preston; Alyssa Fox-Charles; Warrick K. C. Lo; James D. Crowley","Chloride triggered reversible switching from a metallosupramolecular [Pd2L4]^4+^ cage to a [Pd2L2Cl4] metallo-macrocycle with release of endo- and exo-hedrally bound guests","Chem.Commun.","2015","51","","9042","","10.1039/C5cc02226F","","","1.5418","CuKα","","0.1015","0.0749","","","0.207","0.2251","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117179","13.8958","0.0006","21.0537","0.0007","11.1192","0.0005","90","","101.982","0.004","90","","3182.1","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C58 H62 Cl4 N6 O12 Pd2 -","- C58 H62 Cl4 N6 O12 Pd2 -","- C116 H124 Cl8 N12 O24 Pd4 -","2","0.25","","Dan Preston; Alyssa Fox-Charles; Warrick K. C. Lo; James D. Crowley","Chloride triggered reversible switching from a metallosupramolecular [Pd2L4]^4+^ cage to a [Pd2L2Cl4] metallo-macrocycle with release of endo- and exo-hedrally bound guests","Chem.Commun.","2015","51","","9042","","10.1039/C5cc02226F","","","1.54184","CuKα","","0.0627","0.0552","","","0.1589","0.1674","","","","","","1.086","","","","has coordinates","136597","2020-10-21","18:00:00",""
"7117180","13.099","","17.179","","32.25","0.001","90","","91.566","0.002","90","","7254.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H150 N16 O38 Pd2 S4 -","- C126 H150 N16 O38 Pd2 S4 -","- C252 H300 N32 O76 Pd4 S8 -","2","0.5","","Dan Preston; Alyssa Fox-Charles; Warrick K. C. Lo; James D. Crowley","Chloride triggered reversible switching from a metallosupramolecular [Pd2L4]^4+^ cage to a [Pd2L2Cl4] metallo-macrocycle with release of endo- and exo-hedrally bound guests","Chem.Commun.","2015","51","","9042","","10.1039/C5cc02226F","","","0.71073","MoKα","","0.1201","0.1103","","","0.3733","0.3871","","","","","","1.86","","","","has coordinates","136597","2020-10-21","18:00:00",""
"7117181","25.9051","0.0015","25.9051","0.0015","20.4603","0.0016","90","","90","","120","","11890.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H44 Cu7 I8 N8 -","- C24 H44 Cu7 I8 N8 -","- C216 H396 Cu63 I72 N72 -","9","0.5","","Yao Kang; Wei-Hui Fang; Lei Zhang; Jian Zhang","A structure-directing method to prepare semiconductive zeolitic cluster-organic frameworks with Cu3I4 building units","Chem.Commun.","2015","51","","8994","","10.1039/C5cc02598B","","","0.71073","MoKα","","0.107","0.0631","","","0.1478","0.1676","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117182","18.5097","0.0003","18.5097","0.0003","36.1113","0.0015","90","","90","","90","","12372.1","0.6","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C15 H29 Cu4 I4 N4 -","- C15 H29 Cu4 I4 N4 -","- C240 H464 Cu64 I64 N64 -","16","1","","Yao Kang; Wei-Hui Fang; Lei Zhang; Jian Zhang","A structure-directing method to prepare semiconductive zeolitic cluster-organic frameworks with Cu3I4 building units","Chem.Commun.","2015","51","","8994","","10.1039/C5cc02598B","","","0.71073","MoKα","","0.0553","0.039","","","0.1064","0.1136","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117183","8.435","0.0017","12.595","0.003","22.468","0.005","90","","90","","90","","2387","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","UO2(dbsf)(phen)","","- C26 H16 N2 O8 S U -","- C26 H16 N2 O8 S U -","- C104 H64 N8 O32 S4 U4 -","4","1","","Shu-wen An; Lei Mei; Cong-zhi Wang; Chuan-qin Xia; Zhi-fang Chai; Wei-qun Shi","The first case of actinide triple helices: pH-dependent structural evolution and kinetically-controlled transformation of two supramolecular conformational isomers","Chem.Commun.","2015","51","","8978","","10.1039/C5cc02646F","","","0.71073","MoKα","","0.0367","0.0366","","","0.0918","0.0919","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117184","14.395","0.003","8.675","0.0017","20.368","0.004","90","","95.16","0.03","90","","2533.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","UO2(dbsf)(phen)(H2O)","","- C26 H18 N2 O9 S U -","- C26 H18 N2 O9 S U -","- C104 H72 N8 O36 S4 U4 -","4","1","","Shu-wen An; Lei Mei; Cong-zhi Wang; Chuan-qin Xia; Zhi-fang Chai; Wei-qun Shi","The first case of actinide triple helices: pH-dependent structural evolution and kinetically-controlled transformation of two supramolecular conformational isomers","Chem.Commun.","2015","51","","8978","","10.1039/C5cc02646F","","","0.71073","MoKα","","0.0462","0.04","","","0.1074","0.1113","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117185","5.736","0.003","7.686","0.005","15.026","0.009","102.598","0.013","92.769","0.013","110.155","0.013","601.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F3 N2 O3 -","- C11 H9 F3 N2 O3 -","- C22 H18 F6 N4 O6 -","2","1","","Ai-Jie Cai; Yan Zheng; Jun-An Ma","Copper-triggered three-component reaction of CF3CHN2, nitriles, and aldehydes: highly diastereoselective synthesis of CF3-substituted oxazolines and vicinal amino alcohols","Chem.Commun.","2015","51","","8946","","10.1039/c5cc02749G","","","0.71073","MoKα","","0.1215","0.0982","","","0.2771","0.3071","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117186","7.764","0.006","22.824","0.017","7.398","0.006","90","","112.915","0.009","90","","1207.5","1.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl F3 N O2 -","- C11 H9 Cl F3 N O2 -","- C44 H36 Cl4 F12 N4 O8 -","4","1","","Ai-Jie Cai; Yan Zheng; Jun-An Ma","Copper-triggered three-component reaction of CF3CHN2, nitriles, and aldehydes: highly diastereoselective synthesis of CF3-substituted oxazolines and vicinal amino alcohols","Chem.Commun.","2015","51","","8946","","10.1039/c5cc02749G","","","0.71073","MoKα","","0.0954","0.0595","","","0.1462","0.1686","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117187","5.438","0.0007","10.4231","0.0015","22.933","0.003","90","","90","","90","","1299.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,6aS)-5-((S)-4-amino-4-carboxybutanoyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylic acid","","- C11 H16 N3 O7 -","- C11 H17 N3 O7 -","- C44 H68 N12 O28 -","4","1","","Tamborini, Lucia; Mastronardi, Federica; Dall'Oglio, Federica; De Micheli, Carlo; Nielsen, Birgitte; Lo Presti, Leonardo; Conti, Paola; Pinto, Andrea","Synthesis of unusual isoxazoline containingβandγ-dipeptides as potential glutamate receptor ligands","Med. Chem. Commun.","2015","6","7","1260","","10.1039/C5MD00159E","","","0.71073","MoKα","","0.1337","0.0496","","","0.0769","0.099","","","","","","1.005","","","","has coordinates","143716","2020-10-21","18:00:00",""
"7117188","9.4165","0.0004","19.7949","0.0007","45.588","0.0019","90","","90","","90","","8497.5","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclophanetriene","CPDTV","","- C46 H43 Cl3 S6 -","- C46 H43 Cl3 S6 -","- C368 H344 Cl24 S48 -","8","1","","Shu-Wei Chang; Masaki Horie","A donor-acceptor conjugated block copolymer of poly(arylenevinylene)s by ring-opening metathesis polymerization","Chem.Commun.","2015","51","","9113","","10.1039/C5cc00498E","","","0.71073","MoKα","","0.1246","0.059","","","0.1473","0.2002","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117189","7.6226","0.0006","8.0332","0.0007","19.2709","0.0016","89.772","0.007","88.902","0.007","76.322","0.007","1146.36","0.17","127.85","0.1","127.85","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17.13 Cu2 O19.5 S2 -","- C16 Cu2 O19.5 S2 -","- C32 Cu4 O39 S4 -","2","1","","Xiao-Qin Wu; Jian-Gong Ma; Han Li; Di-Ming Chen; Wen Gu; Guang-Ming Yang; Peng Cheng","Metal-organic framework biosensor with high stability and selectivity in a bio-mimic environment","Chem.Commun.","2015","51","","9161","","10.1039/C5cc02113H","","","0.71073","MoKα","","0.1","0.0686","","","0.1642","0.1929","","","","","","1.096","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117190","7.7459","0.0006","9.8069","0.0008","25.602","0.0019","90","","90","","90","","1944.8","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F4 N O4 S -","- C17 H21 F4 N O4 S -","- C68 H84 F16 N4 O16 S4 -","4","1","","Chen Xie; Yanling Dai; Haibo Mei; Jianlin Han; Vadim A. Soloshonok; Yi Pan","Asymmetric synthesis of quaternary alpha-fluoro-beta-keto-amines via detrifluoroacetylative Mannich reactions","Chem.Commun.","2015","51","","9149","","10.1039/C5cc02256H","","","0.71073","MoKα","","0.0438","0.0342","","","0.0659","0.0695","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117191","10.2175","0.0012","12.1386","0.0014","19.641","0.002","90","","90","","90","","2436","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br Cl3 N2 O4 -","- C22 H20 Br Cl3 N2 O4 -","- C88 H80 Br4 Cl12 N8 O16 -","4","1","","Wu-Lin Yang; Yang-Zi Liu; Shuai Luo; Xingxin Yu; John S. Fossey; Wei-Ping Deng","The copper-catalyzed asymmetric construction of a dispiropyrrolidine skeleton via 1,3-dipolar cycloaddition of azomethine ylides to alpha-alkylidene succinimides","Chem.Commun.","2015","51","","9212","","10.1039/C5cc02362A","","","0.71073","MoKα","","0.0877","0.0638","","","0.1817","0.198","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117192","8.917","0.003","11.888","0.004","12.165","0.004","62.137","0.007","81.719","0.007","78.834","0.007","1116.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 F6 O6 -","- C24 H18 F6 O6 -","- C48 H36 F12 O12 -","2","1","","Jingbo Wu; Scott T. Iacono; Gregory T. McCandless; Dennis W. Smith; Bruce M. Novak","Utilization of a Meldrum's acid towards functionalized fluoropolymers possessing dual reactivity for thermal crosslinking and post-polymerization modification","Chem.Commun.","2015","51","","9220","","10.1039/C5cc02382C","","","0.71073","MoKα","","0.0763","0.0514","","","0.1144","0.1246","","","","","","1.022","","","","has coordinates","137153","2020-10-21","18:00:00",""
"7117193","13.4997","0.0009","13.9995","0.0007","10.1052","0.0006","90","","111.458","0.008","90","","1777.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 B F2 N3 S -","- C19 H14 B F2 N3 S -","- C76 H56 B4 F8 N12 S4 -","4","1","","Roop Shikha Singh; Rakesh Kumar Gupta; Rajendra Prasad Paitandi; Mrigendra Dubey; Gunjan Sharma; Biplob Koch; Daya Shankar Pandey","Morphological tuning via structural modulations in AIE luminogens with the minimum number of possible variables and their use in live cell imaging","Chem.Commun.","2015","51","","9125","","10.1039/C5cc02488A","","","1.54184","CuKα","","0.0565","0.0521","","","0.1399","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117194","16.3271","0.001","8.327","0.0004","16.9926","0.0008","90","","109.759","0.003","90","","2174.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 B F2 N3 S -","- C23 H23 B F2 N3 S -","- C92 H92 B4 F8 N12 S4 -","4","1","","Roop Shikha Singh; Rakesh Kumar Gupta; Rajendra Prasad Paitandi; Mrigendra Dubey; Gunjan Sharma; Biplob Koch; Daya Shankar Pandey","Morphological tuning via structural modulations in AIE luminogens with the minimum number of possible variables and their use in live cell imaging","Chem.Commun.","2015","51","","9125","","10.1039/C5cc02488A","","","0.71073","MoKα","","0.0642","0.045","","","0.1312","0.141","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117195","10.5497","0.0015","19.995","0.003","9.2865","0.0015","90","","104.898","0.015","90","","1893.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B F2 N3 O S -","- C20 H16 B F2 N3 O S -","- C80 H64 B4 F8 N12 O4 S4 -","4","1","","Roop Shikha Singh; Rakesh Kumar Gupta; Rajendra Prasad Paitandi; Mrigendra Dubey; Gunjan Sharma; Biplob Koch; Daya Shankar Pandey","Morphological tuning via structural modulations in AIE luminogens with the minimum number of possible variables and their use in live cell imaging","Chem.Commun.","2015","51","","9125","","10.1039/C5cc02488A","","","0.71073","MoKα","","0.1226","0.0688","","","0.1473","0.1799","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117196","9.7361","0.0002","14.5464","0.0002","12.214","0.0002","90","","111.146","0.002","90","","1613.33","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 B Cl F2 N3 -","- C18 H11 B Cl F2 N3 -","- C72 H44 B4 Cl4 F8 N12 -","4","1","","Roop Shikha Singh; Rakesh Kumar Gupta; Rajendra Prasad Paitandi; Mrigendra Dubey; Gunjan Sharma; Biplob Koch; Daya Shankar Pandey","Morphological tuning via structural modulations in AIE luminogens with the minimum number of possible variables and their use in live cell imaging","Chem.Commun.","2015","51","","9125","","10.1039/C5cc02488A","","","1.5418","CuKα","","0.0467","0.0461","","","0.1253","0.1259","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117197","21.2958","0.0006","21.33","0.0006","21.9581","0.0006","90","","105.868","0.0013","90","","9594.2","0.5","100","2","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C90 H106 Cl4 N10 O92.75 V16 -","- C90 H106 Cl4 N10 O92.75 V16 -","- C180 H212 Cl8 N20 O185.5 V32 -","2","0.5","","Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko","A new family of anionic organic-inorganic hybrid doughnut-like nanostructures","Chem.Commun.","2015","51","","9223","","10.1039/C5cc02719E","","","1.54178","CuKα","","0.1453","0.0885","","","0.2376","0.2886","","","","","","1.023","","","","has coordinates,has disorder","137156","2020-10-21","18:00:00",""
"7117198","14.9098","0.0009","14.9098","0.0009","38.069","0.002","90","","90","","90","","8462.8","0.8","296","2","296.15","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C80 H80 Cl4 N4 O81.5 V16 -","- C80 H80 Cl4 N4 O81.5001 V16 -","- C160 H160 Cl8 N8 O163 V32 -","2","0.0625","","Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko","A new family of anionic organic-inorganic hybrid doughnut-like nanostructures","Chem.Commun.","2015","51","","9223","","10.1039/C5cc02719E","","","0.518","synchrotron","","0.1013","0.0753","","","0.2072","0.2364","","","","","","1.149","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117199","15.1975","0.0005","19.1532","0.0006","19.3115","0.0006","103.817","0.0018","95.3294","0.0016","98.3478","0.0017","5352.9","0.3","100","2","100.23","","","","","","","","","7","P -1","-P 1","2","","","","- C51.75 H64.75 Br4 Cl2 N7.25 O42.75 V8 -","- C51.75 H64.75 Br4 Cl2 N7.25 O42.75 V8 -","- C103.5 H129.5 Br8 Cl4 N14.5 O85.5 V16 -","2","1","","Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko","A new family of anionic organic-inorganic hybrid doughnut-like nanostructures","Chem.Commun.","2015","51","","9223","","10.1039/C5cc02719E","","","1.54178","CuKα","","0.1491","0.0982","","","0.2603","0.2992","","","","","","1.041","","","","has coordinates,has disorder","137156","2020-10-21","18:00:00",""
"7117200","14.9214","0.0006","16.0334","0.0007","16.7794","0.0007","79.476","0.002","82.828","0.003","81.284","0.002","3881.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C91 H119 Cl7 N9 O83.25 V16 -","- C91 H119 Cl7 N9 O83.25 V16 -","- C91 H119 Cl7 N9 O83.25 V16 -","1","0.5","","Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko","A new family of anionic organic-inorganic hybrid doughnut-like nanostructures","Chem.Commun.","2015","51","","9223","","10.1039/C5cc02719E","","","1.54178","CuKα","","0.1101","0.0755","","","0.1788","0.198","","","","","","1.072","","","","has coordinates,has disorder","137156","2020-10-21","18:00:00",""
"7117201","13.554","0.0014","13.7899","0.001","21.0955","0.0018","86.768","0.007","88.944","0.008","63.016","0.009","3508","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H109 Cr Mo6 N6 O29 -","- C45 H108.4 Cr Mo6 N6 O28.7 -","- C90 H216.8 Cr2 Mo12 N12 O57.4 -","2","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.7107","MoKα","","0.0442","0.0339","","","0.0614","0.0737","","","","","","1.05","","","","has coordinates","137157","2020-10-21","18:00:00",""
"7117202","24.0245","0.0012","13.9963","0.0006","26.7955","0.0014","90","","94.54","0.004","90","","8981.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H143 Br Cr Mo6 N5 O27 -","- C62 H143 Br Cr Mo6 N5 O27 -","- C248 H572 Br4 Cr4 Mo24 N20 O108 -","4","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.71073","MoKα","","0.0575","0.0487","","","0.1015","0.1051","","","","","","1.081","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117203","13.2494","0.0004","14.7378","0.0006","14.8892","0.0006","119.221","0.004","103.752","0.003","96.589","0.003","2371.5","0.2","100","1","100","1","","","","","","","","7","P 1","P 1","1","","","","- C69 H158 Br Cr Mo6 N8 O29 -","- C68.498 H156.494 Br Cr Mo6 N8 O29 -","- C68.498 H156.494 Br Cr Mo6 N8 O29 -","1","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.7107","MoKα","","0.0349","0.0306","","","0.0671","0.0702","","","","","","1.063","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117204","13.6865","0.0008","13.7366","0.0008","21.5248","0.0009","86.727","0.004","83.692","0.004","62.304","0.006","3561.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H108 Cr Mo6 N5 O28 -","- C46 H108 Cr Mo6 N5 O29 -","- C92 H216 Cr2 Mo12 N10 O58 -","2","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.71073","MoKα","","0.0489","0.0374","","","0.0755","0.0807","","","","","","1.06","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117205","13.2671","0.0005","14.756","0.0006","14.887","0.0004","119.33","0.004","103.729","0.003","96.883","0.003","2370.4","0.2","109","6","109","6","","","","","","","","7","P 1","P 1","1","","","","- C67 H155 Br Mn Mo6 N9 O29 -","- C67 H154 Br Mn Mo6 N9 O29 -","- C67 H154 Br Mn Mo6 N9 O29 -","1","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.71073","MoKα","","0.0335","0.0296","","","0.0579","0.0601","","","","","","1.025","","","","has coordinates,has disorder","137157","2020-10-21","18:00:00",""
"7117206","15.0834","0.0003","11.5341","0.0004","23.0245","0.0006","90","","98.122","0.002","90","","3965.47","0.19","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H43 Cr Mo6 N2 O30 -","- C8 H43 Cr Mo6 N2 O30 -","- C32 H172 Cr4 Mo24 N8 O120 -","4","1","","Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei","Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation","Chem.Commun.","2015","51","","9097","","10.1039/C5cc02947C","","","0.71073","MoKα","","0.0527","0.0617","","","0.1171","0.1263","","","","","","1.051","","","","has coordinates","137157","2020-10-21","18:00:00",""
"7117207","12.3129","0.0007","14.9215","0.0008","18.0053","0.0011","67.588","0.005","85.054","0.005","78.028","0.005","2991.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H54 Cl6 P4 Ru -","- C62 H54 Cl6 P4 Ru -","- C124 H108 Cl12 P8 Ru2 -","2","1","","Samantha G. Eaves; Sam J. Hart; Adrian C. Whitwood; Dmitry S. Yufit; Paul J. Low; Jason M. Lynam","Rapid Markovnikov addition of HCl to a pendant alkyne: evidence for a quinoidal cumulene","Chem.Commun.","2015","51","","9362","","10.1039/C4cc09696G","","","0.7107","MoKα","Mo","0.1876","0.0999","","","0.2459","0.3129","","","","","","1.039","","","","has coordinates,has disorder","137323","2020-10-21","18:00:00",""
"7117208","11.3506","0.0003","12.3819","0.0003","21.4222","0.0005","80.7264","0.0018","74.684","0.002","83.7147","0.0019","2858.75","0.13","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H57 Cl5 P4 Ru -","- C63.5 H57 Cl5 P4 Ru -","- C127 H114 Cl10 P8 Ru2 -","2","1","","Samantha G. Eaves; Sam J. Hart; Adrian C. Whitwood; Dmitry S. Yufit; Paul J. Low; Jason M. Lynam","Rapid Markovnikov addition of HCl to a pendant alkyne: evidence for a quinoidal cumulene","Chem.Commun.","2015","51","","9362","","10.1039/C4cc09696G","","","0.71073","MoKα","","0.0479","0.0384","","","0.0944","0.1011","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117209","10.912","0.002","8.3793","0.0017","11.228","0.002","90","","93.81","0.03","90","","1024.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C50 H42 Br2 N4 O4 -","2","1","","Gao, Zhong-Hua; Chen, Xiang-Yu; Cheng, Jin-Tang; Liao, Wei-Lin; Ye, Song","N-Heterocyclic carbene-catalyzed [2+3] cyclocondensation of α-chloroaldehydes with azomethine imines","Chemical Communications (Cambridge, United Kingdom)","2015","51","45","9328","9331","10.1039/c5cc01238d","","","0.71073","MoKα","","0.0431","0.0388","","","0.0735","0.0754","","","","","","1.12","","","","has coordinates","211000","2020-10-21","18:00:00",""
"7117210","17.6408","0.0012","17.6408","0.0012","44.355","0.003","90","","90","","120","","11953.9","1.4","100","","100.15","","","","","","","","","7","R -3","-R 3","148","","tris[4,4':2',2"":4"",4'""-quaterpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate diethyl ether solvate","","- C67.99 H56.99 F11.99 N14 O P2 Ru -","- C67.992 H56.985 F11.988 N13.998 O0.999 P1.998 Ru -","- C407.952 H341.91 F71.928 N83.988 O5.994 P11.988 Ru6 -","6","","","E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan","Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex","Chem.Commun.","2015","51","","9261","","10.1039/C5cc02124C","","x-ray","1.34139","GaKα","","0.1188","0.0872","","","0.2204","0.2673","","","","","","1.104","","","","has coordinates,has disorder","137325","2020-10-21","18:00:00",""
"7117211","21.1118","0.0003","21.1118","0.0003","21.1118","0.0003","90","","90","","90","","9409.7","0.2","100","","100","","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","tris[4,4':2',2"":4"",4'""-quaterpyridine]ruthenium(II) bis(chloride) n hydrate","","- C60 H42 Cl2 N12 O5 Ru -","- C60 H42 Cl2.0002 N12 O4.998 Ru -","- C240 H168 Cl8.0008 N48 O19.992 Ru4 -","4","0.166667","","E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan","Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex","Chem.Commun.","2015","51","","9261","","10.1039/C5cc02124C","","x-ray","1.54178","CuKα","","0.0682","0.0634","","","0.1737","0.1776","","","","","","1.008","","","","has coordinates,has disorder","137325","2020-10-21","18:00:00",""
"7117212","5.212","0.001","17.471","0.003","15.196","0.003","90","","92.267","0.003","90","","1382.6","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Liang Zhang; Mingzhu Zhao; Xiaoming Zhao","The synthesis of carbonyl 2-amino-pyrimidines via tandem regioselective heterocyclization of 1,3-diynes with guanidine and selective oxidation","Chem.Commun.","2015","51","","9370","","10.1039/C5cc02238J","","","0.71073","MoKα","","0.0551","0.0424","","","0.1313","0.1547","","","","","","1.068","","","","has coordinates","137326","2020-10-21","18:00:00",""
"7117213","7.537","0.0018","12.525","0.003","9.7","0.002","90","","98.51","0.004","90","","905.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","JU103","","- Al4 H3 Na3 O19 P4 -","- Al4 H3 Na3 O19 P4 -","- Al8 H6 Na6 O38 P8 -","2","0.5","","Yanjun Sun; Yan Yan; Yanyan Wang; Yi Li; Jiyang Li; Jihong Yu","High proton conduction in a new alkali metal-templated open-framework aluminophosphate","Chem.Commun.","2015","51","","9317","","10.1039/C5cc03116H","","","0.71073","MoKα","","0.1212","0.1169","","","0.3265","0.3291","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117214","29.1653","0.0009","29.1653","0.0009","83.513","0.006","90","","90","","120","","61520","5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C96 H40 Cd5 O34 -","- C96 H40 Cd5 O34 -","- C1728 H720 Cd90 O612 -","18","0.5","","Hongming He; Yang Song; Chuanqi Zhang; Fuxing Sun; Rongrong Yuan; Zheng Bian; Lianxun Gao; Guangshan Zhu","A highly robust metal-organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO2 over CH4","Chem.Commun.","2015","51","","9463","","10.1039/C5cc01281C","","","0.71073","MoKα","","0.1194","0.0853","","","0.2596","0.3105","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117215","18.605","0.017","6.204","0.006","12.673","0.012","90","","109.869","0.017","90","","1376","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl7 Cu10 O16 Pb2 Se4 -","- Cl7 Cu10 O16 Pb2 Se4 -","- Cl14 Cu20 O32 Pb4 Se8 -","2","0.25","","Vadim M. Kovrugin; Marie Colmont; Oleg I. Siidra; Olivier Mentre; Alexander Al-Shuray; Vladislav V. Gurzhiy; Sergey V. Krivovichev","Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions","Chem.Commun.","2015","51","","9563","","10.1039/C5cc01426C","","","0.71073","MoKα","","0.0946","0.0354","","","0.04","0.0481","","","","","","0.716","","","","has coordinates","137480","2020-10-21","18:00:00",""
"7117216","18.4956","0.0004","6.1454","0.0001","15.2985","0.0004","90","","119.311","0.001","90","","1516.25","0.06","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl10 Cu12 O16 Pb2 Se4 -","- Cl10 Cu12 O16 Pb2 Se4 -","- Cl20 Cu24 O32 Pb4 Se8 -","2","0.25","","Vadim M. Kovrugin; Marie Colmont; Oleg I. Siidra; Olivier Mentre; Alexander Al-Shuray; Vladislav V. Gurzhiy; Sergey V. Krivovichev","Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions","Chem.Commun.","2015","51","","9563","","10.1039/C5cc01426C","","","0.71073","MoKα","","0.0294","0.0275","","","0.0769","0.0779","","","","","","1.126","","","","has coordinates","137480","2020-10-21","18:00:00",""
"7117217","15.1158","0.0011","6.1853","0.0004","9.2672","0.0009","90","","95.965","0.005","90","","861.75","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Cl11.6 Cu13.6 K1.6 O16 Pb0.4 Se4 -","- Cl11.6 Cu13.6 K1.6 O16 Pb0.4 Se4 -","- Cl11.6 Cu13.6 K1.6 O16 Pb0.4 Se4 -","1","0.125","","Vadim M. Kovrugin; Marie Colmont; Oleg I. Siidra; Olivier Mentre; Alexander Al-Shuray; Vladislav V. Gurzhiy; Sergey V. Krivovichev","Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions","Chem.Commun.","2015","51","","9563","","10.1039/C5cc01426C","","","0.71073","MoKα","","0.0606","0.0453","","","0.1162","0.1246","","","","","","1.07","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117218","20.2313","0.0006","20.2313","0.0006","20.2313","0.0006","90","","90","","90","","8280.8","0.4","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C15 H9 Ag Cl N9 O4 -","- C15 H9 Ag1.00005 Cl N9 O4 -","- C240 H144 Ag16.0008 Cl16 N144 O64 -","16","0.333333","","Damir A. Safin; Amelie Pialat; Alicea A. Leitch; Nikolay A. Tumanov; Ilia Korobkov; Yaroslav Filinchuk; Jaclyn L. Brusso; Muralee Murugesu","Anion-induced Ag^I^ self-assemblies with electron deficient aromatic ligands: anion-pi-system interactions as a driving force for templated coordination networks","Chem.Commun.","2015","51","","9547","","10.1039/C5cc01597A","","","0.71442","synchrotron","","0.1682","0.1543","","","0.4242","0.4441","","","","","","1.624","","","","has coordinates","137481","2020-10-21","18:00:00",""
"7117219","10.6023","0.0008","18.0069","0.0015","33.316","0.003","90","","90.1374","0.0016","90","","6360.5","0.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H27 Ag4 F12 N27 O12 S4 -","- C40 H27 Ag4 F12 N27 O12 S4 -","- C160 H108 Ag16 F48 N108 O48 S16 -","4","1","","Damir A. Safin; Amelie Pialat; Alicea A. Leitch; Nikolay A. Tumanov; Ilia Korobkov; Yaroslav Filinchuk; Jaclyn L. Brusso; Muralee Murugesu","Anion-induced Ag^I^ self-assemblies with electron deficient aromatic ligands: anion-pi-system interactions as a driving force for templated coordination networks","Chem.Commun.","2015","51","","9547","","10.1039/C5cc01597A","","","0.71073","MoKα","","0.1141","0.0879","","","0.2606","0.281","","","","","","1.092","","","","has coordinates","137481","2020-10-21","18:00:00",""
"7117220","10.6565","0.0007","16.8754","0.0011","19.1418","0.0013","90","","90","","90","","3442.3","0.4","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H18 Ag2 F12 N18 P2 -","- C24 H18 Ag2 F12 N18 P2 -","- C96 H72 Ag8 F48 N72 P8 -","4","0.5","","Damir A. Safin; Amelie Pialat; Alicea A. Leitch; Nikolay A. Tumanov; Ilia Korobkov; Yaroslav Filinchuk; Jaclyn L. Brusso; Muralee Murugesu","Anion-induced Ag^I^ self-assemblies with electron deficient aromatic ligands: anion-pi-system interactions as a driving force for templated coordination networks","Chem.Commun.","2015","51","","9547","","10.1039/C5cc01597A","","","0.71073","MoKα","","0.082","0.0694","","","0.1667","0.1766","","","","","","1.048","","","","has coordinates,has disorder","137481","2020-10-21","18:00:00",""
"7117221","10.2518","0.0006","11.9007","0.0007","13.0245","0.0007","111.438","0.001","97.586","0.001","98.593","0.001","1432.11","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl2 N Ni O3 P -","- C30 H24 Cl2 N Ni O3 P -","- C60 H48 Cl4 N2 Ni2 O6 P2 -","2","1","","Wenfeng Lo; Chunhua Hu; Tyler Berenson; Nathaniel Tracer; Daniel Shlian; Michael Khaloo; Avraham Benhaim; Jianfeng Jiang","Oxidation of carbon monoxide in basic solution catalyzed by nickel cyano carbonyls under ambient conditions and the prototype of a CO-powered alkaline fuel cell","Chem.Commun.","2015","51","","9432","","10.1039/C5cc01872B","","","0.71073","MoKα","","0.0418","0.0311","","","0.065","0.0708","","","","","","1.032","","","","has coordinates","137482","2020-10-21","18:00:00",""
"7117222","14.857","0.003","10.303","0.002","15.562","0.003","90","","99.009","0.002","90","","2352.7","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 N4 Ni O2 -","- C20 H40 N4 Ni O2 -","- C80 H160 N16 Ni4 O8 -","4","0.5","","Wenfeng Lo; Chunhua Hu; Tyler Berenson; Nathaniel Tracer; Daniel Shlian; Michael Khaloo; Avraham Benhaim; Jianfeng Jiang","Oxidation of carbon monoxide in basic solution catalyzed by nickel cyano carbonyls under ambient conditions and the prototype of a CO-powered alkaline fuel cell","Chem.Commun.","2015","51","","9432","","10.1039/C5cc01872B","","","0.71073","MoKα","","0.0486","0.0341","","","0.0789","0.0861","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117223","13.142","0.006","12.337","0.005","17.656","0.008","90","","108.519","0.009","90","","2714","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H42 N6 Ni2 O18 -","- C62 H42 N6 Ni2 O18 -","- C124 H84 N12 Ni4 O36 -","2","0.5","","Jun Zhao; Yenan Wang; Wenwen Dong; Yapan Wu; Dongsheng Li; Bin Liu; Qichun Zhang","A new surfactant-introduction strategy for separating the pure single-phase of metal-organic frameworks","Chem.Commun.","2015","51","","9479","","10.1039/C5cc02043C","","","0.71073","MoKα","","0.0554","0.0458","","","0.1236","0.1367","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117224","31.395","0.015","13.702","0.007","15.808","0.008","90","","90","","90","","6800","6","296","2","296","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C36 H21 N4 Ni2 O8 -","- C36 H21 N4 Ni2 O8 -","- C288 H168 N32 Ni16 O64 -","8","","","Jun Zhao; Yenan Wang; Wenwen Dong; Yapan Wu; Dongsheng Li; Bin Liu; Qichun Zhang","A new surfactant-introduction strategy for separating the pure single-phase of metal-organic frameworks","Chem.Commun.","2015","51","","9479","","10.1039/C5cc02043C","","","0.71073","MoKα","","0.0859","0.0699","","","0.1984","0.2111","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117225","7.72","0.005","21.073","0.012","8.161","0.005","90","","92.202","0.01","90","","1326.7","1.4","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,8'-Biquinoline 1,1'-dioxide","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","David E. Stephens; Johant Lakey-Beitia; Gabriel Chavez; Carla Ilie; Hadi D. Arman; Oleg V. Larionov","Experimental and mechanistic analysis of the palladium-catalyzed oxidative C8-selective C-H homocoupling of quinoline N-oxides","Chem.Commun.","2015","51","","9507","","10.1039/C5cc02227D","","","0.71073","MoKα","","0.056","0.0483","","","0.1165","0.1219","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117226","15.3713","0.0011","37.512","0.003","38.979","0.003","90","","105.255","0.002","90","","21684","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H224 In5 N29 O87 -","- C85 H55 In5 N10 O25 -","- C340 H220 In20 N40 O100 -","4","1","","Song, Bai-Qiao; Wang, Xin-Long; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Periodic tiling of triangular and square nanotubes in a cationic metal-organic framework for selective anion exchange","Chemical Communications (Cambridge, United Kingdom)","2015","51","46","9515","9518","10.1039/c5cc02639c","","","0.71073","MoKα","","0.0963","0.0534","","","0.1103","0.1161","","","","","","1.005","","","","has coordinates,has disorder","210999","2020-10-21","18:00:00",""
"7117227","31.282","0.003","8.8017","0.0007","19.4725","0.0019","90","","121.27","0.003","90","","4582.6","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 N3 -","- C28 H31 N3 -","- C224 H248 N24 -","8","1","","Qian Gao; Peng Zhou; Feng Liu; Wen-Juan Hao; Changsheng Yao; Bo Jiang; Shu-Jiang Tu","Cobalt(II)/silver relay catalytic isocyanide insertion/cycloaddition cascades: a new access to pyrrolo[2,3-b]indoles","Chem.Commun.","2015","51","","9519","","10.1039/C5cc02754C","","","0.71073","MoKα","","0.1276","0.0697","","","0.1612","0.209","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117228","10.8247","0.0005","12.1491","0.0005","14.009","0.0006","90","","96.356","0.002","90","","1831","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Subrata Mukherjee; Santigopal Mondal; Atanu Patra; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of beta-lactone-fused cyclopentanes using homoenolate annulation reaction","Chem.Commun.","2015","51","","9559","","10.1039/C5cc02960K","","","0.71073","MoKα","","0.0358","0.0327","","","0.0778","0.0802","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117229","15.3285","0.0008","11.4221","0.0006","12.7961","0.0006","90","","95.471","0.002","90","","2230.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl3 N O3 -","- C24 H20 Cl3 N O3 -","- C96 H80 Cl12 N4 O12 -","4","1","","Subrata Mukherjee; Santigopal Mondal; Atanu Patra; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of beta-lactone-fused cyclopentanes using homoenolate annulation reaction","Chem.Commun.","2015","51","","9559","","10.1039/C5cc02960K","","","0.71073","MoKα","","0.0726","0.0661","","","0.1584","0.1618","","","","","","1.16","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117230","18.4514","0.001","13.2631","0.001","26.133","0.002","90","","90.826","0.003","90","","6394.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 B F24 Na P6 -","- C50 H44 B F24 Na P6 -","- C200 H176 B4 F96 Na4 P24 -","4","1","","Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang","Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination","Chem.Commun.","2015","51","","9555","","10.1039/C5cc03184B","","","0.71073","MoKα","","0.1038","0.0666","","","0.166","0.1947","","","","","","0.996","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117231","12.5084","0.001","16.4798","0.001","17.5637","0.001","79.047","0.004","78.403","0.004","81.625","0.004","3460.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 B F24 Na P6 -","- C62 H60 B F24 Na P6 -","- C124 H120 B2 F48 Na2 P12 -","2","1","","Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang","Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination","Chem.Commun.","2015","51","","9555","","10.1039/C5cc03184B","","","0.71073","MoKα","","0.0625","0.0525","","","0.1427","0.1493","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117232","15.092","0.002","27.737","0.005","15.405","0.003","90","","90","","90","","6448.6","1.9","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H48 Al F36 Li O4 P6 -","- C46 H48 Al F36 Li O4 P6 -","- C184 H192 Al4 F144 Li4 O16 P24 -","4","1","","Marina Carravetta; Maria Concistre; William Levason; Gillian Reid; Wenjian Zhang","Unique Group 1 cations stabilised by homoleptic neutral phosphine coordination","Chem.Commun.","2015","51","","9555","","10.1039/C5cc03184B","","","0.71073","MoKα","","0.1502","0.1012","","","0.2096","0.2363","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117233","10.3658","0.001","18.6942","0.0018","23.794","0.002","90","","90","","90","","4610.8","0.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H68 Cl Fe In N2 O4 -","- C48 H68 Cl Fe In N2 O4 -","- C192 H272 Cl4 Fe4 In4 N8 O16 -","4","1","","Stephanie M. Quan; Paula L. Diaconescu","High activity of an indium alkoxide complex toward ring opening polymerization of cyclic esters","Chem.Commun.","2015","51","","9643","","10.1039/C5cc01312G","","","0.71073","MoKα","","0.0234","0.0225","","","0.0506","0.051","","","","","","1.107","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117234","8.1413","0.0016","13.747","0.003","10.606","0.002","90","","108.05","0.03","90","","1128.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 Br N3 O -","- C27 H18 Br N3 O -","- C54 H36 Br2 N6 O2 -","2","1","","Tianyou Qin; Lu Cheng; Sean Xiao-An Zhang; Weiwei Liao","Stereoselective synthesis of organosulfur compounds incorporating N-aromatic heterocyclic motifs and quaternary carbon centers via a sulfa-Michael triggered tandem reaction","Chem.Commun.","2015","51","","9714","","10.1039/C5cc01875G","","","0.71073","MoKα","","0.1771","0.0668","","","0.1175","0.1519","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117235","9.4724","0.0019","12.292","0.003","12.563","0.003","104","0.03","109.97","0.03","102.72","0.03","1258.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O S -","- C32 H24 N2 O S -","- C64 H48 N4 O2 S2 -","2","1","","Tianyou Qin; Lu Cheng; Sean Xiao-An Zhang; Weiwei Liao","Stereoselective synthesis of organosulfur compounds incorporating N-aromatic heterocyclic motifs and quaternary carbon centers via a sulfa-Michael triggered tandem reaction","Chem.Commun.","2015","51","","9714","","10.1039/C5cc01875G","","","0.71073","MoKα","","0.0856","0.0548","","","0.1578","0.1836","","","","","","1.031","","","","has coordinates","137602","2020-10-21","18:00:00",""
"7117236","44.588","0.003","44.588","0.003","44.588","0.003","90","","90","","90","","88645","10","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C33 H15 Cu6 N6 O19 -","- C33 H15 Cu6 N6 O19 -","- C1056 H480 Cu192 N192 O608 -","32","0.166667","","Wen-Yang Gao; Tony Pham; Katherine A. Forrest; Brian Space; Lukasz Wojtas; Yu-Sheng Chen; Shengqian Ma","The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform","Chem.Commun.","2015","51","","9636","","10.1039/C5cc02573G","","","0.41328","synchrotron","","0.0751","0.0674","","","0.2084","0.2133","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117237","16.83401","0.00014","18.4515","0.00017","19.639","0.00017","90","","100.054","0.0008","90","","6006.44","0.09","110","0.14","110","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H65 Au2 F6 N P Sb -","- C69 H65 Au2 F6 N P Sb -","- C276 H260 Au8 F24 N4 P4 Sb4 -","4","1","","Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood","Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis","Chem.Commun.","2015","51","","9702","","10.1039/C5cc02629F","","x-ray","0.71073","MoKα","","0.0421","0.0269","","","0.0487","0.0535","","","","","","1.036","","","","has coordinates,has disorder","137604","2020-10-21","18:00:00",""
"7117238","24.291","0.003","17.933","0.002","24.334","0.003","90","","90","","90","","10600","2","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C58.01 H55.02 Au2 F6 N P Sb -","- C58.014 H55.016 Au2 F6 N P Sb -","- C464.112 H440.128 Au16 F48 N8 P8 Sb8 -","8","1","","Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood","Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis","Chem.Commun.","2015","51","","9702","","10.1039/C5cc02629F","","","1.54178","CuKα","","0.0446","0.0437","","","0.1033","0.1038","","","","","","1.209","","","","has coordinates,has disorder","137604","2020-10-21","18:00:00",""
"7117239","16.33309","0.00017","18.64797","0.00016","18.79354","0.00018","90","","91.0581","0.0009","90","","5723.14","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Au3 F6 N2 Sb -","- C66 H64 Au3 F6 N2 Sb -","- C264 H256 Au12 F24 N8 Sb4 -","4","1","","Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood","Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis","Chem.Commun.","2015","51","","9702","","10.1039/C5cc02629F","","x-ray","0.71073","MoKα","","0.0371","0.0254","","","0.0504","0.0546","","","","","","1.039","","","","has coordinates","137604","2020-10-21","18:00:00",""
"7117240","9.2943","0.0014","21.212","0.003","18.121","0.003","90","","114.171","0.01","90","","3259.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl3 N3 Pd -","- C32 H42 Cl3 N3 Pd -","- C128 H168 Cl12 N12 Pd4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0692","0.0387","","","0.0851","0.0996","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117241","35.0384","0.0012","9.1217","0.0003","16.6331","0.0006","90","","90","","90","","5316.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cl3 N3 Pt -","- C26 H30 Cl3 N3 Pt -","- C208 H240 Cl24 N24 Pt8 -","8","2","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0576","0.0457","","","0.1018","0.1076","","","","","","1.055","","","","has coordinates","137605","2020-10-21","18:00:00",""
"7117242","9.3227","0.0002","21.1418","0.0005","18.1068","0.0004","90","","115.162","0.001","90","","3230.18","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl3 N3 Pt -","- C32 H42 Cl3 N3 Pt -","- C128 H168 Cl12 N12 Pt4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.034","0.0279","","","0.0615","0.064","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117243","9.7411","0.0005","22.3057","0.001","14.8046","0.0008","90","","98.163","0.003","90","","3184.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 N3 Pd -","- C32 H41 Cl2 N3 Pd -","- C128 H164 Cl8 N12 Pd4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0634","0.037","","","0.0877","0.1033","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117244","33.4882","0.0019","33.4882","0.0019","12.9635","0.0015","90","","90","","90","","14538","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C33 H43 Cl4 N3 Pd -","- C33 H43 Cl4 N3 Pd -","- C528 H688 Cl64 N48 Pd16 -","16","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.1009","0.087","","","0.1848","0.1901","","","","","","1.243","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117245","14.8545","0.0005","17.1043","0.0005","14.8749","0.0005","90","","102.243","0.0009","90","","3693.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl2 N3 Pd -","- C39 H49 Cl2 N3 Pd -","- C156 H196 Cl8 N12 Pd4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0413","0.033","","","0.0978","0.1057","","","","","","1.265","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117246","9.0414","0.0005","25.274","0.0013","10.5618","0.0005","90","","120.856","0.003","90","","2071.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 N3 Pd -","- C22 H21 Cl2 N3 Pd -","- C88 H84 Cl8 N12 Pd4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.049","0.0336","","","0.0663","0.0711","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117247","14.907","0.0008","15.9956","0.0009","18.4249","0.001","90","","99.438","0.003","90","","4333.9","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 Br1.81 Cl2.18 N6 Pd2 -","- C44 H42 Br1.814 Cl2.186 N6 Pd2 -","- C176 H168 Br7.256 Cl8.744 N24 Pd8 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0236","0.021","","","0.0481","0.049","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117248","11.5869","0.0004","14.0962","0.0005","15.7142","0.0005","90","","100.524","0.002","90","","2523.45","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl2 N3 Pd -","- C26 H29 Cl2 N3 Pd -","- C104 H116 Cl8 N12 Pd4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0395","0.0288","","","0.0656","0.0708","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117249","16.5349","0.0005","11.8855","0.0004","14.5488","0.0004","90","","91.162","0.002","90","","2858.62","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl4 N3 Pt -","- C27 H31 Cl4 N3 Pt -","- C108 H124 Cl16 N12 Pt4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0348","0.0242","","","0.0661","0.1039","","","","","","1.216","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117250","9.0255","0.0009","25.338","0.002","10.5412","0.0009","90","","120.716","0.006","90","","2072.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 N3 Pt -","- C22 H21 Cl2 N3 Pt -","- C88 H84 Cl8 N12 Pt4 -","4","1","","Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen","Two-step solid-state synthesis of PEPPSI-type compounds","Chem.Commun.","2015","51","","9632","","10.1039/C5cc02924D","","","0.71073","MoKα","","0.0244","0.0228","","","0.0486","0.0488","","","","","","1.843","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117251","10.4764","0.0003","25.5317","0.0006","16.5265","0.0005","90","","102.296","0.003","90","","4319.1","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H21 Cl2 N -","- C79 H21 Cl2 N -","- C316 H84 Cl8 N4 -","4","1","","Bolong Zhang; Jegadesan Subbiah; Yu-Ying Lai; Jonathan M. White; David J. Jones; Wallace W. H. Wong","One-pot selective synthesis of a fullerene bisadduct for organic solar cell applications","Chem.Commun.","2015","51","","9837","","10.1039/C5cc02701B","","","1.5418","CuKα","","0.117","0.106","","","0.2847","0.2953","","","","","","1.063","","","","has coordinates,has disorder","137871","2020-10-21","18:00:00",""
"7117252","6.1999","0.0005","13.2765","0.0011","23.277","0.002","90","","90","","90","","1916","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C84 H76 Cl4 N8 O12 -","4","1","","Santosh Agrawal; Nagaraju Molleti; Vinod K. Singh","Organocatalytic enantio- and diastereoselective synthesis of highly substituted ?-lactones via a Michael-cyclization cascade","Chem.Commun.","2015","51","","9793","","10.1039/C5cc02776D","","","0.71073","MoKα","","0.1017","0.0535","","","0.1235","0.1515","","","","","","1.029","","","","has coordinates","137872","2020-10-21","18:00:00",""
"7117253","23.5527","0.0007","20.9694","0.0008","29.346","0.0009","90","","95.231","0.003","90","","14433.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(C4O4)2@Ag24(C6H9)16(CF3COO)4.2CH3CN","","","- C116 H150 Ag24 F12 N2 O16 -","- C116 H144 Ag24 F12 N2 O16 -","- C464 H576 Ag96 F48 N8 O64 -","4","1","","Kuan-Guan Liu; Su-Kun Chen; Yu-Mei Lin; Quan-Ming Wang","An organic anion template: a 24-nucleus silver cluster encapsulating a squarate dimer","Chem.Commun.","2015","51","","9896","","10.1039/C5cc02782A","","","0.71073","MoKα","","0.0762","0.0489","","","0.086","0.0937","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117254","5.246","0.0005","6.1956","0.0007","7.9824","0.0007","103.859","0.009","98.602","0.008","100.131","0.009","242.93","0.04","118","2","118","2","","","","","","","","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0763","0.0702","","","0.214","0.2237","","","","","","1.135","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117255","5.2512","0.0005","6.2279","0.0007","7.9892","0.0007","103.846","0.009","98.464","0.008","99.919","0.009","245","0.04","154","2","154","2","","","","","","","","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0851","0.0769","","","0.2292","0.2438","","","","","","1.105","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117256","5.2639","0.0009","6.2567","0.0009","8.0155","0.001","103.858","0.012","98.504","0.012","99.75","0.013","247.65","0.07","190","0.14","190","0.14","","","","","","","","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0911","0.0818","","","0.2496","0.2681","","","","","","1.116","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117257","5.2748","0.0009","6.2602","0.0015","8.0316","0.0012","103.949","0.016","98.651","0.013","99.531","0.017","248.77","0.09","226","2","226","2","","","","","","","","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0941","0.0835","","","0.2517","0.2724","","","","","","1.138","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117258","5.2944","0.0005","6.2771","0.0006","8.0612","0.0007","104.026","0.008","98.839","0.008","99.456","0.008","251.09","0.04","262","2","262","2","","","","","","","","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0959","0.0822","","","0.254","0.2755","","","","","","1.118","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117259","7.6628","0.0007","9.0535","0.0007","9.0675","0.0007","119.828","0.008","106.926","0.008","95.17","0.007","500.73","0.1","118","2","118","2","","","","","","","","3","P -1","-P 1","2","","tribromomesitylene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0473","0.0369","","","0.0833","0.0885","","","","","","1.04","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117260","7.6795","0.0006","9.0494","0.0007","9.0657","0.0008","119.817","0.009","106.887","0.007","95.081","0.007","502.02","0.1","154","2","154","2","","","","","","","","3","P -1","-P 1","2","","tribromomesitylene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0523","0.0393","","","0.0841","0.0921","","","","","","1.04","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117261","7.7114","0.0007","9.0669","0.0008","9.0829","0.0008","119.802","0.009","106.864","0.008","95.034","0.007","506.39","0.11","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","tribromomesitylene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0556","0.0396","","","0.0826","0.0911","","","","","","1.032","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117262","7.7305","0.0007","9.0698","0.0008","9.0855","0.0009","119.773","0.01","106.867","0.009","95.034","0.008","508.12","0.11","226","2","226","2","","","","","","","","3","P -1","-P 1","2","","tribromomesitylene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0579","0.0381","","","0.074","0.0827","","","","","","1.013","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117263","7.7631","0.0007","9.0805","0.0008","9.0999","0.0008","119.76","0.009","106.811","0.008","95.019","0.007","512.06","0.11","262","2","262","2","","","","","","","","3","P -1","-P 1","2","","tribromomesitylene","","- C9 H9 Br3 -","- C9 H9 Br3 -","- C18 H18 Br6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0678","0.0481","","","0.094","0.1079","","","","","","1.07","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117264","7.5031","0.0005","8.7681","0.0008","8.7862","0.0007","119.731","0.009","106.219","0.006","95.51","0.007","462.5","0.09","118.2","0.4","118.2","0.4","","","","","","","","3","P -1","-P 1","2","","trichloromesitylene","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0397","0.0346","","","0.0854","0.0892","","","","","","1.043","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117265","7.6629","0.0005","8.7822","0.0006","8.7994","0.0007","119.644","0.008","107.474","0.007","96.23","0.006","466.72","0.08","154","2","154","2","","","","","","","","3","P -1","-P 1","2","","trichloromesitylene","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0463","0.0377","","","0.0926","0.0984","","","","","","1.071","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117266","7.6799","0.0005","8.7893","0.0007","8.8083","0.0007","119.651","0.008","107.294","0.007","96.335","0.006","469.01","0.09","189.95","0.1","189.95","0.1","","","","","","","","3","P -1","-P 1","2","","trichloromesitylene","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0505","0.0385","","","0.0979","0.1066","","","","","","1.095","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117267","7.7076","0.001","8.801","0.0008","8.8248","0.0008","119.644","0.01","107.231","0.01","96.278","0.009","472.73","0.12","226","2","226","2","","","","","","","","3","P -1","-P 1","2","","trichloromesitylene","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0537","0.04","","","0.0997","0.1096","","","","","","1.082","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117268","7.7324","0.0005","8.8179","0.0007","8.8415","0.0006","119.64","0.008","107.114","0.006","96.298","0.006","476.54","0.08","262","0.14","262","0.14","","","","","","","","3","P -1","-P 1","2","","trichloromesitylene","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0573","0.0426","","","0.1059","0.1157","","","","","","1.106","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117269","7.9189","0.0005","9.5531","0.0006","9.5594","0.0006","60.255","0.006","66.67","0.006","85.526","0.005","570.15","0.08","118","2","118","2","","","","","","","","3","P -1","-P 1","2","","triiodomesitylene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0355","0.0301","","","0.0625","0.0642","","","","","","1.103","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117270","7.9431","0.0004","9.5681","0.0006","9.5753","0.0005","60.225","0.006","66.662","0.005","85.52","0.004","573.51","0.07","154","2","154","2","","","","","","","","3","P -1","-P 1","2","","triiodomesitylene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0343","0.0295","","","0.0676","0.0693","","","","","","1.126","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117271","7.97","0.0005","9.5781","0.0006","9.5874","0.0006","60.223","0.006","66.693","0.006","85.452","0.005","577.07","0.08","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","triiodomesitylene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0374","0.0312","","","0.0672","0.0698","","","","","","1.088","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117272","7.9901","0.0004","9.5851","0.0006","9.5953","0.0006","60.221","0.006","66.709","0.006","85.445","0.005","579.51","0.08","226","2","226","2","","","","","","","","3","P -1","-P 1","2","","triiodomesitylene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.04","0.0333","","","0.0753","0.0788","","","","","","1.08","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117273","8.0247","0.0005","9.6025","0.0005","9.6148","0.0005","60.183","0.006","66.729","0.006","85.377","0.005","584.24","0.08","262","2","262","2","","","","","","","","3","P -1","-P 1","2","","triiodomesitylene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","","Viswanadha G. Saraswatula; Binoy K. Saha","A thermal expansion investigation of the melting point anomaly in trihalomesitylenes","Chem.Commun.","2015","51","","9829","","10.1039/C5cc03033A","","","0.7107","MoKα","","0.0386","0.0301","","","0.0643","0.0681","","","","","","1.051","","","","has coordinates","137874","2020-10-21","18:00:00",""
"7117274","12.8272","0.001","21.122","0.0016","14.0969","0.0011","90","","93.392","0.001","90","","3812.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 B2 N2 O2 -","- C35 H44 B2 N2 O2 -","- C140 H176 B8 N8 O8 -","4","1","","Marc-Andre Courtemanche; Alexander P. Pulis; Etienne Rochette; Marc-Andre Legare; Douglas W. Stephan; Frederic-Georges Fontaine","Intramolecular B/N frustrated Lewis pairs and the hydrogenation of carbon dioxide","Chem.Commun.","2015","51","","9797","","10.1039/C5cc03072B","","","0.71073","MoKα","","0.072","0.057","","","0.1663","0.1751","","","","","","1.101","","","","has coordinates","137875","2020-10-21","18:00:00",""
"7117275","19.338","0.002","16.601","0.002","18.949","0.002","90","","95.101","0.002","90","","6059.1","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 B2 Cl4 F8 Ir2 N4 -","- C56 H78 B2 Cl4 F8 Ir2 N4 -","- C224 H312 B8 Cl16 F32 Ir8 N16 -","4","0.5","","Laura Rubio-Perez; Manuel Iglesias; Julen Munarriz; Victor Polo; Pablo J. Sanz Miguel; Jesus J. Perez-Torrente; Luis A. Oro","A bimetallic iridium(II) catalyst: [{Ir(IDipp)(H)}2][BF4]2 (IDipp = 1,3-bis(2,6-diisopropylphenylimidazol-2-ylidene))","Chem.Commun.","2015","51","","9860","","10.1039/C5cc03296B","","","0.71073","MoKα","","0.0664","0.0485","","","0.106","0.1148","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117276","11.426","0.001","16.485","0.001","15.147","0.001","90","","100.185","0.002","90","","2808.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O2 S -","- C30 H34 N2 O2 S -","- C120 H136 N8 O8 S4 -","4","1","","Stephanie Norsikian; Margaux Beretta; Alexandre Cannillo; Amelie Martin; Pascal Retailleau; Jean-Marie Beau","Synthesis of enantioenriched 1,2-trans-diamines using the borono-Mannich reaction with N-protected alpha-amino aldehydes","Chem.Commun.","2015","51","","9991","","10.1039/C5cc01716E","","","0.7107","MoKα","","0.0744","0.0497","","","0.1262","0.1489","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7117277","9.3634","0.0015","21.379","0.003","15.2","0.002","90","","101.912","0.002","90","","2977.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Co N4 O4 -","- C38 H28 Co N4 O4 -","- C152 H112 Co4 N16 O16 -","4","1","","Sk Amanullah; Pradip Kumar Das; Subhra Samanta; Abhishek Dey","Tuning the thermodynamic onset potential of electrocatalytic O2 reduction reaction by synthetic iron-porphyrin complexes","Chem.Commun.","2015","51","","10010","","10.1039/C5cc01938A","","","0.71073","MoKα","","0.0517","0.0397","","","0.1188","0.1331","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117278","9.921","0.003","16.32","0.004","11.549","0.003","90","","97.356","0.005","90","","1854.5","0.9","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H42 Cl2 N O6 P -","- C39 H42 Cl2 N O6 P -","- C78 H84 Cl4 N2 O12 P2 -","2","1","","Taichi Kano; Hiroki Maruyama; Ryu Sakamoto; Keiji Maruoka","Regioselectivity switch in chiral amine-catalysed asymmetric addition of aldehydes to reactive enals","Chem.Commun.","2015","51","","10062","","10.1039/C5cc02438B","","","1.54187","CuKα","","0.0629","0.0518","","","0.1233","0.1357","","","","","","1.059","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7117279","9.7332","0.0003","12.3327","0.0003","15.1571","0.0004","90","","90","","90","","1819.41","0.09","115","7","115","7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,E)-methyl 2-hydroxy-4-phenyl-2-((2-phenyloxazol-5-yl)methyl)but-3-enoate","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Weiwei Luo; Jiannan Zhao; Jie Ji; Lili Lin; Xiaohua Liu; Hongjiang Mei; Xiaoming Feng","A catalytic asymmetric carbonyl-ene reaction of beta,gamma-unsaturated alpha-ketoesters with 5-methyleneoxazolines","Chem.Commun.","2015","51","","10042","","10.1039/C5cc02748A","","x-ray","1.54184","CuKα","","0.0517","0.05","","","0.1239","0.1267","","","","","","1.058","","","","has coordinates","138337","2020-10-21","18:00:00",""
"7117280","9.8442","0.0003","12.3537","0.0003","16.5313","0.0006","90","","90","","90","","2010.41","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-ethyl 2-hydroxy-4-phenyl-2-((2-phenyloxazol-5-yl)methyl)but-3-ynoate","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Weiwei Luo; Jiannan Zhao; Jie Ji; Lili Lin; Xiaohua Liu; Hongjiang Mei; Xiaoming Feng","A catalytic asymmetric carbonyl-ene reaction of beta,gamma-unsaturated alpha-ketoesters with 5-methyleneoxazolines","Chem.Commun.","2015","51","","10042","","10.1039/C5cc02748A","","x-ray","1.54184","CuKα","","0.056","0.0527","","","0.1417","0.1465","","","","","","1.038","","","","has coordinates","138337","2020-10-21","18:00:00",""
"7117281","7.89498","0.00015","11.4535","0.0002","16.5401","0.0003","90","","90","","90","","1495.64","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Jin-Miao Tian; Yong-Hai Yuan; Yong-Qiang Tu; Fu-Min Zhang; Xiao-Bo Zhang; Shi-Heng Zhang; Shao-Hua Wang; Xiao-Ming Zhang","The design of a spiro-pyrrolidine organocatalyst and its application to catalytic asymmetric Michael addition for the construction of all-carbon quaternary centers","Chem.Commun.","2015","51","","9979","","10.1039/C5cc02765A","","","1.54184","CuKα","","0.0432","0.0421","","","0.1162","0.1183","","","","","","1.058","","","","has coordinates","138338","2020-10-21","18:00:00",""
"7117283","10.3919","0.0003","13.6438","0.0004","15.4722","0.0006","95.673","0.003","95.753","0.003","98.925","0.003","2141.59","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 B F4 Ir N5 -","- C48 H51 B F4 Ir N5 -","- C96 H102 B2 F8 Ir2 N10 -","2","1","","Mewis, Ryan E.; Fekete, Marianna; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.","Deactivation of signal amplification by reversible exchange catalysis, progress towards in vivo application.","Chemical communications (Cambridge, England)","2015","51","48","9857","9859","10.1039/c5cc01896j","","x-ray","0.7107","MoKα","","0.0408","0.0331","","","0.0663","0.0713","","","","","","1.067","","","","has coordinates,has disorder","138383","2020-10-21","18:00:00",""
"7117285","13.377","0.0004","15.6886","0.0004","25.1243","0.0007","90","","102.402","0.0015","90","","5149.7","0.2","100","2","100.02","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Cl2 F9 N12 O10 S3 W2 -","- C44 H34 Cl2 F9 N12 O10 S3 W2 -","- C176 H136 Cl8 F36 N48 O40 S12 W8 -","4","1","","Brogden, David W.; Berry, John F.","Not all density functionals are created equal: the case of the missing electron in the oxidized [W-W[triple bond, length as m-dash]O](7+) core.","Chemical communications (Cambridge, England)","2015","51","44","9153","9156","10.1039/c5cc02917a","","x-ray","0.71073","MoKα","","0.0249","0.0202","","","0.0445","0.046","","","","","","1.101","","","","has coordinates,has disorder","138385","2020-10-21","18:00:00",""
"7117286","32.023","0.003","27.232","0.003","28.774","0.003","90","","90","","90","","25092","4","140","2","140","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C90 H189 N30 Na5 O162 S10 U20 V20 -","- C30 N10 Na5 O162 S10 U20 V20 -","- C120 N40 Na20 O648 S40 U80 V80 -","4","0.5","","G. A. Senchyk; E. M. Wylie; S. Prizio; J. E. S. Szymanowski; G. E. Sigmon; P. C. Burns","Hybrid uranyl-vanadium nano-wheels","Chem.Commun.","2015","51","","10134","","10.1039/C5cc01524C","","","0.71073","MoKα","","0.1282","0.0756","","","0.1872","0.2056","","","","","","1.101","","","","has coordinates","139041","2020-10-21","18:00:00",""
"7117287","23.656","0.004","14.981","0.002","27.97","0.004","90","","112.886","0.002","90","","9132","2","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N16 O51 U2 V16 -","- C48 H90 N16 O51 U2 V16 -","- C192 H360 N64 O204 U8 V64 -","4","0.5","","G. A. Senchyk; E. M. Wylie; S. Prizio; J. E. S. Szymanowski; G. E. Sigmon; P. C. Burns","Hybrid uranyl-vanadium nano-wheels","Chem.Commun.","2015","51","","10134","","10.1039/C5cc01524C","","","0.71073","MoKα","","0.0867","0.0636","","","0.158","0.171","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117288","9.6751","0.0012","10.2214","0.0012","10.6522","0.0013","90","","96.993","0.002","90","","1045.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Meng Zhang; Xianpeng Yin; Tian Tian; Yun Liang; Weina Li; Yue Lan; Jian Li; Meimei Zhou; Yong Ju; Guangtao Li","AIE-induced fluorescent vesicles containing amphiphilic binding pockets and the FRET triggered by host-guest chemistry","Chem.Commun.","2015","51","","10210","","10.1039/C5cc02377G","","","0.71073","MoKα","","0.0498","0.0392","","","0.0891","0.0949","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117289","10.102","0.002","13.842","0.003","19.518","0.004","90.19","0.03","93.99","0.03","93.2","0.03","2718.3","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H51 P10 -","- C60 H51 P10 -","- C120 H102 P20 -","2","1","","Heidi Schneider; David Schmidt; Udo Radius","The reductive P-P coupling of primary and secondary phosphines mediated by N-heterocyclic carbenes","Chem.Commun.","2015","51","","10138","","10.1039/C5cc02517F","","","0.71073","MoKα","","0.0673","0.0589","","","0.1279","0.1375","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117290","13.896","0.003","13.896","0.003","20.034","0.004","90","","90","","120","","3350.3","1.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H42 P6 -","- C42 H42 P6 -","- C126 H126 P18 -","3","0.166667","","Heidi Schneider; David Schmidt; Udo Radius","The reductive P-P coupling of primary and secondary phosphines mediated by N-heterocyclic carbenes","Chem.Commun.","2015","51","","10138","","10.1039/C5cc02517F","","","0.71073","MoKα","","0.0483","0.0423","","","0.1229","0.1256","","","","","","1.123","","","","has coordinates,has disorder","139043","2020-10-21","18:00:00",""
"7117291","13.4568","0.0016","18.179","0.002","18.421","0.002","92.687","0.001","105.972","0.001","96.846","0.001","4286.5","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H111 B Cl F15 Ge P4 Pt2 -","- C90 H111 B Cl F15 Ge P4 Pt2 -","- C180 H222 B2 Cl2 F30 Ge2 P8 Pt4 -","2","1","","Norio Nakata; Noriko Sekizawa; Akihiko Ishii","Cationic dinuclear platinum and palladium complexes with bridging hydrogermylene and hydrido ligands","Chem.Commun.","2015","51","","10111","","10.1039/C5cc03062E","","","0.71073","MoKα","","0.0441","0.0383","","","0.0996","0.1019","","","","","","1.018","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7117292","13.4434","0.0013","18.197","0.0017","18.3865","0.0017","92.576","0.001","106.152","0.001","97.311","0.001","4269.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H112 B F15 Ge P4 Pt2 -","- C90 H112 B F15 Ge P4 Pt2 -","- C180 H224 B2 F30 Ge2 P8 Pt4 -","2","1","","Norio Nakata; Noriko Sekizawa; Akihiko Ishii","Cationic dinuclear platinum and palladium complexes with bridging hydrogermylene and hydrido ligands","Chem.Commun.","2015","51","","10111","","10.1039/C5cc03062E","","","0.71073","MoKα","","0.0508","0.0376","","","0.0862","0.0896","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7117293","24.942","0.003","32.139","0.004","11.1842","0.0015","90","","90","","90","","8965","2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","C72 H110 Cl Ge P4 Pd2, C18 H B F15, C6 H5 F","","- C96 H116 B Cl F16 Ge P4 Pd2 -","- C96 H116 B Cl F16 Ge P4 Pd2 -","- C384 H464 B4 Cl4 F64 Ge4 P16 Pd8 -","4","1","","Norio Nakata; Noriko Sekizawa; Akihiko Ishii","Cationic dinuclear platinum and palladium complexes with bridging hydrogermylene and hydrido ligands","Chem.Commun.","2015","51","","10111","","10.1039/C5cc03062E","","","0.71073","MoKα","","0.0599","0.0537","","","0.1258","0.1288","","","","","","1.014","","","","has coordinates,has disorder","171772","2020-10-21","18:00:00",""
"7117294","10.6347","0.0003","29.6678","0.0007","10.7567","0.0003","90","","105.968","0.001","90","","3262.88","0.15","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 B F4 P2 Rh -","- C33 H48 B F4 P2 Rh -","- C132 H192 B4 F16 P8 Rh4 -","4","2","","E. Louise Hazeland; Andy M. Chapman; Paul G. Pringle; Hazel A. Sparkes","A one-step, modular route to optically-active diphos ligands","Chem.Commun.","2015","51","","10206","","10.1039/C5cc03517A","","","0.71073","MoKα","","0.0234","0.0218","","","0.0494","0.0501","","","","","","1.041","","","","has coordinates","139045","2020-10-21","18:00:00",""
"7117295","9.8749","0.0006","10.7553","0.0006","29.0217","0.0018","90","","90","","90","","3082.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Cl4 O2 P2 Pt -","- C30 H34 Cl4 O2 P2 Pt -","- C120 H136 Cl16 O8 P8 Pt4 -","4","1","","E. Louise Hazeland; Andy M. Chapman; Paul G. Pringle; Hazel A. Sparkes","A one-step, modular route to optically-active diphos ligands","Chem.Commun.","2015","51","","10206","","10.1039/C5cc03517A","","","0.71073","MoKα","","0.0173","0.0159","","","0.0367","0.0371","","","","","","1.032","","","","has coordinates","139045","2020-10-21","18:00:00",""
"7117296","24.258","0.005","9.4877","0.0019","16.473","0.003","90","","118.79","0.03","90","","3322.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu(I) complex","","- C6 H7 Cu2 N9 O2.5 -","- C6 H Cu2 N9 O2.5 -","- C48 H8 Cu16 N72 O20 -","8","1","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.0565","0.0539","","","0.1665","0.1689","","","","","","1.203","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117297","24.321","0.005","9.4098","0.0019","16.628","0.003","90","","119.24","0.03","90","","3320.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu(I) complex","","- C6 H8 Cu2 N9 O3 -","- C6 H Cu2 N9 O3 -","- C48 H8 Cu16 N72 O24 -","8","1","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.0632","0.0568","","","0.1751","0.1833","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117298","24.338","0.005","9.4877","0.0019","16.502","0.003","90","","119.89","0.03","90","","3303.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu(I)Cu(II) complex","","- C6 H4 Cu2 N9 O1.5 -","- C6 H3 Cu2 N9 O1.5 -","- C48 H24 Cu16 N72 O12 -","8","1","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.0575","0.0528","","","0.1529","0.1572","","","","","","1.162","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117299","24.225","0.005","9.6254","0.0019","16.37","0.003","90","","118.54","0.03","90","","3353.2","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu(I) complex","","- C12 H19 Cu2 N10 O -","- C12 H17 Cu2 N10 O -","- C96 H136 Cu16 N80 O8 -","8","1","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.0603","0.0543","","","0.1542","0.1604","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117300","24.349","0.005","9.2334","0.0018","16.959","0.003","90","","119.41","0.03","90","","3321.4","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cu(I) complex","","- C12 H18 Cu2 N10 O0.5 -","- C12 H18 Cu2 N10 O0.5 -","- C96 H144 Cu16 N80 O4 -","8","2","","Chao Huang; Jie Wu; Chuanjun Song; Ran Ding; Yan Qiao; Hongwei Hou; Junbiao Chang; Yaoting Fan","Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction","Chem.Commun.","2015","51","","10353","","10.1039/C5cc02432C","","","0.71073","MoKα","","0.038","0.0357","","","0.0879","0.0899","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117301","10.8511","0.0006","28.8803","0.0013","19.155","0.0008","90","","123.902","0.003","90","","4982.3","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C81 H49 O20 Tb3 -","- C81 H49 O20 Tb3 -","- C162 H98 O40 Tb6 -","2","0.5","","Hang Xu; Chun-Shuai Cao; Bin Zhao","A water-stable lanthanide-organic framework as a recyclable luminescent probe for detecting pollutant phosphorus anions","Chem.Commun.","2015","51","","10280","","10.1039/C5cc02596F","","","0.71073","MoKα","","0.1012","0.0825","","","0.2122","0.2313","","","","","","0.964","","","","has coordinates","139256","2020-10-21","18:00:00",""
"7117302","15.2594","0.0007","10.4298","0.0005","19.4355","0.0009","90","","90","","90","","3093.2","0.3","293.51","0.1","293.51","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C160 H144 O16 -","8","1","","Kegong Ji; Xiang Liu; Bowen Du; Fang Yang; Jinming Gao","Gold-catalyzed selective oxidation of 4-oxahepta-1,6-diynes to 2H-pyran-3(6H)-ones and chromen-3(4H)-ones via beta-gold vinyl cation intermediates","Chem.Commun.","2015","51","","10318","","10.1039/C5cc02952J","","x-ray","0.71073","MoKα","","0.082","0.0536","","","0.1186","0.1393","","","","","","1.069","","","","has coordinates","139257","2020-10-21","18:00:00",""
"7117303","20.4153","0.0009","22.91","0.0011","25.8662","0.0012","103.685","0.003","94.975","0.003","110.593","0.003","10809.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H261 Cu31 N64 O35 P -","- C164 H122 Cu31 N64 O35 P -","- C328 H244 Cu62 N128 O70 P2 -","2","1","","Gellert Mezei","Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions","Chem.Commun.","2015","51","","10341","","10.1039/C5cc03005F","","","0.71073","MoKα","","0.1616","0.1289","","","0.339","0.3555","","","","","","1.12","","","","has coordinates,has disorder","139258","2020-10-21","18:00:00",""
"7117304","20.4878","0.0003","22.9195","0.0004","25.7171","0.0004","103.64","0.001","95.22","0.001","110.663","0.001","10777.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C145 H227 As Cu31 N64 O35 -","- C145 H102 As Cu31 N64 O35 -","- C290 H204 As2 Cu62 N128 O70 -","2","1","","Gellert Mezei","Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions","Chem.Commun.","2015","51","","10341","","10.1039/C5cc03005F","","","0.71073","MoKα","","0.1619","0.0822","","","0.177","0.2196","","","","","","0.987","","","","has coordinates,has disorder","139258","2020-10-21","18:00:00",""
"7117305","19.9142","0.0003","28.2823","0.0004","33.9811","0.0005","90","","106.132","0.001","90","","18385.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H196 Cu30 N61 O42 P -","- C117 H115 Cu30 N61 O42 P -","- C468 H460 Cu120 N244 O168 P4 -","4","1","","Gellert Mezei","Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions","Chem.Commun.","2015","51","","10341","","10.1039/C5cc03005F","","","0.71073","MoKα","","0.182","0.0844","","","0.1837","0.2333","","","","","","1.014","","","","has coordinates,has disorder","139258","2020-10-21","18:00:00",""
"7117306","17.1774","0.0002","24.4","0.0003","33.549","0.0004","90","","103.254","0.001","90","","13686.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H149 Br1.5 Cu15 N39.5 O19 P2 -","- C104 H129 Br1.5 Cu15 N39.5 O19 P2 -","- C416 H516 Br6 Cu60 N158 O76 P8 -","4","1","","Gellert Mezei","Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions","Chem.Commun.","2015","51","","10341","","10.1039/C5cc03005F","","","0.71073","MoKα","","0.1182","0.0688","","","0.1617","0.1895","","","","","","0.95","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117307","17.3262","0.0004","25.319","0.0005","31.9199","0.0007","90","","102.256","0.001","90","","13683.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H154 As2 Br2 Cu15 N40 O20 -","- C110 As2 Br2 Cu15 N40 O20 -","- C440 As8 Br8 Cu60 N160 O80 -","4","0.5","","Gellert Mezei","Incarceration of one or two phosphate or arsenate species within nanojars, capped nanojars and nanohelicages: helical chirality from two closely-spaced, head-to-head PO4^3-^ or AsO4^3-^ ions","Chem.Commun.","2015","51","","10341","","10.1039/C5cc03005F","","","0.71073","MoKα","","0.1708","0.0815","","","0.1893","0.2477","","","","","","1.006","","","","has coordinates,has disorder","139258","2020-10-21","18:00:00",""
"7117308","5.7825","0.0006","8.6085","0.0009","14.043","0.0014","99.114","0.002","99.532","0.002","94.734","0.002","676.43","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl Fe S -","- C16 H13 Cl Fe S -","- C32 H26 Cl2 Fe2 S2 -","2","1","","Zongjun Qiao; Nanyang Ge; Xuefeng Jiang","CO2-promoted oxidative cross-coupling reaction for C-S bond formation via masked strategy in an odourless way","Chem.Commun.","2015","51","","10295","","10.1039/C5cc03038B","","","0.71073","MoKα","","0.03","0.028","","","0.0755","0.0773","","","","","","1.057","","","","has coordinates","139259","2020-10-21","18:00:00",""
"7117309","7.5312","0.0015","8.2038","0.0016","13.344","0.003","92.852","0.003","93.152","0.004","107.116","0.003","784.9","0.3","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H40 Cu F2 N4 O8 S4 -","- C22 H40 Cu F2 N4 O8 S4 -","- C22 H40 Cu F2 N4 O8 S4 -","1","0.5","","Zongjun Qiao; Nanyang Ge; Xuefeng Jiang","CO2-promoted oxidative cross-coupling reaction for C-S bond formation via masked strategy in an odourless way","Chem.Commun.","2015","51","","10295","","10.1039/C5cc03038B","","","0.71073","MoKα","","0.0688","0.0619","","","0.1716","0.1777","","","","","","1.138","","","","has coordinates","139259","2020-10-21","18:00:00",""
"7117310","33.626","0.008","12.052","0.004","24.064","0.005","90","","134.007","0.007","90","","7014","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.75 H24 N2 O3.5 Pt -","- C17.75 H24 N2 O3.5 Pt -","- C284 H384 N32 O56 Pt16 -","16","2","","Mohamed E. Moustafa; Paul D. Boyle; Richard J. Puddephatt","A biomimetic phenol substituent effect on the reaction of a dimethylplatinum(II) complex with oxygen: proton coupled electron transfer and multiple proton relay","Chem.Commun.","2015","51","","10334","","10.1039/C5cc03136B","","","0.71073","MoKα","","0.0805","0.0478","","","0.102","0.1112","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117311","23.3111","0.0007","23.3111","0.0007","19.866","0.0008","90","","90","","90","","10795.3","0.6","150","2","150","2","","","","","","","","8","P 4/n c c","-P 4a 2ac","130","","YbZn4-py","","- C75 H72 F9 N16 O21 S3 Yb Zn4 -","- C75 H72 F9 N16 O21 S3 Yb Zn4 -","- C300 H288 F36 N64 O84 S12 Yb4 Zn16 -","4","","","Quan-Wen Li; Jun-Liang Liu; Jian-Hua Jia; Yan-Cong Chen; Jiang Liu; Long-Fei Wang; Ming-Liang Tong","'Half-sandwich' Yb^III^ single-ion magnets with metallacrowns","Chem.Commun.","2015","51","","10291","","10.1039/C5cc03389F","","","0.71073","MoKα","","0.0672","0.0501","","","0.1371","0.1471","","","","","","1.035","","","","has coordinates","139261","2020-10-21","18:00:00",""
"7117312","16.1341","0.0004","42.5371","0.001","18.4653","0.0004","90","","93.131","0.001","90","","12653.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","YbZn4-iqin","","- C100 H100 F9 N19 O24 S3 Yb Zn4 -","- C100 H100 F9 N19 O24 S3 Yb Zn4 -","- C400 H400 F36 N76 O96 S12 Yb4 Zn16 -","4","1","","Quan-Wen Li; Jun-Liang Liu; Jian-Hua Jia; Yan-Cong Chen; Jiang Liu; Long-Fei Wang; Ming-Liang Tong","'Half-sandwich' Yb^III^ single-ion magnets with metallacrowns","Chem.Commun.","2015","51","","10291","","10.1039/C5cc03389F","","","0.71073","MoKα","","0.1016","0.0683","","","0.18","0.2038","","","","","","0.992","","","","has coordinates","139261","2020-10-21","18:00:00",""
"7117313","26.382","0.003","8.7432","0.0009","15.937","0.0016","90","","97.035","0.002","90","","3648.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-acetylimidazo[1,2-a]pyridine-2,3-diyl)bis(phenylmethanone)","","- C23 H16 N2 O3 -","- C23 H16 N2 O3 -","- C184 H128 N16 O24 -","8","1","","Ahmed Kamal; Chada Narsimha Reddy; Malasala Satyaveni; D. Chandrasekhar; Jagadeesh Babu Nanubolu; Kiran Kumar Singarapud; Ram Awatar Maurya","Cu(OAc)2-Et3N mediated oxidative coupling of alpha-azido ketones with pyridinium ylides: utilizing in situ generated imines for regioselective synthesis of imidazo[1,2-a]pyridines","Chem.Commun.","2015","51","","10475","","10.1039/C5cc00815H","","","0.71073","MoKα","","0.0409","0.0341","","","0.094","0.1009","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117314","20.81","0.005","13.789","0.003","12.317","0.003","90","","90.752","0.004","90","","3534","1.4","113","","113","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H36 O4 -","- C45 H36 O4 -","- C180 H144 O16 -","4","0.5","","Zhaozhong Yi; Hitoshi Okuda; Yasuhito Koyama; Ryota Seto; Satoshi Uchida; Hiromitsu Sogawa; Shigeki Kuwata; Toshikazu Takata","Exact helical polymer synthesis by a two-point-covalent-linking protocol between C2-chiral spirobifluorene and C2- or Cs-symmetric anthraquinone monomers","Chem.Commun.","2015","51","","10423","","10.1039/C5cc02086G","","","0.71075","MoKα","","","0.0549","","","","0.1343","","","","","","1","","","","has coordinates","139319","2020-10-21","18:00:00",""
"7117315","9.6495","0.0001","11.9679","0.0002","12.5126","0.0002","78.879","0.001","85.44","0.001","79.309","0.001","1391.83","0.04","293","2","293","2","","","","","","","","6","P 1","P 1","1","CuTbValchxnN3_1-RR","","","- C46 H56 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","1","1","","Xing-Cai Huang; Veacheslav Vieru; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Shang-Da Jiang; Xin-Yi Wang","Determination of magnetic anisotropy in a multinuclear Tb^III^-based single-molecule magnet","Chem.Commun.","2015","51","","10373","","10.1039/C5cc03089G","","","0.71073","MoKα","","0.0261","0.0242","","","0.0641","0.0659","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117316","9.6455","0.0002","11.9723","0.0003","12.5139","0.0003","78.864","0.001","85.397","0.001","79.256","0.001","1391.56","0.06","293","2","293","2","","","","","","","","6","P 1","P 1","1","CuTbValchxnN3_1-SS","","","- C46 H56 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","- C46 H48 Cu2 N22 O10 Tb2 -","1","1","","Xing-Cai Huang; Veacheslav Vieru; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Shang-Da Jiang; Xin-Yi Wang","Determination of magnetic anisotropy in a multinuclear Tb^III^-based single-molecule magnet","Chem.Commun.","2015","51","","10373","","10.1039/C5cc03089G","","","0.71073","MoKα","","0.0313","0.029","","","0.0773","0.0793","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117317","17.4485","0.0002","17.4485","0.0002","16.711","0.0003","90","","90","","90","","5087.67","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C240 H240 N16 O32 -","8","1","","Jianlin Zhang; Yulong Zhang; Lili Lin; Qian Yao; Xiaohua Liu; Xiaoming Feng","Catalytic asymmetric desymmetrization of N-arylmaleimides: efficient construction of both atom chirality and axial chirality","Chem.Commun.","2015","51","","10554","","10.1039/C5cc03203B","","x-ray","1.54184","CuKα","","0.0559","0.0544","","","0.1461","0.1487","","","","","","1.028","","","","has coordinates","139321","2020-10-21","18:00:00",""
"7117318","12.8853","0.0018","12.9302","0.0018","25.069","0.004","90","","92.4338","0.0017","90","","4173","1.1","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65 H115 N2 O6 P5 Re6 S2 Se8 -","- C65 H115 N2 O6 P5 Re6 S2 Se8 -","- C130 H230 N4 O12 P10 Re12 S4 Se16 -","2","1","","Jessica L. Durham; Wade B. Wilson; Daniel N. Huh; Robert McDonald; Lisa F. Szczepura","Organometallic rhenium(III) chalcogenide clusters: coordination of N-heterocyclic carbenes","Chem.Commun.","2015","51","","10536","","10.1039/C5cc03215F","","","0.71073","MoKα","","0.06","0.0483","","","0.1345","0.1441","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117319","16.6282","0.0011","16.7446","0.0011","25.1262","0.0017","90","","92.1776","0.001","90","","6990.9","0.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 Cl4 N4 P2 Re6 S8 -","- C55 H80 Cl4 N4 P2 Re6 S8 -","- C220 H320 Cl16 N16 P8 Re24 S32 -","4","1","","Jessica L. Durham; Wade B. Wilson; Daniel N. Huh; Robert McDonald; Lisa F. Szczepura","Organometallic rhenium(III) chalcogenide clusters: coordination of N-heterocyclic carbenes","Chem.Commun.","2015","51","","10536","","10.1039/C5cc03215F","","","0.71073","MoKα","","0.0631","0.0492","","","0.1472","0.1555","","","","","","1.067","","","","has coordinates,has disorder","139322","2020-10-21","18:00:00",""
"7117320","8.3956","0.0006","21.0394","0.0013","8.2906","0.0005","90","","105.859","0.007","90","","1408.7","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O -","- C19 H12 N O -","- C76 H48 N4 O4 -","4","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Panpan Wang; Boqi Yao; Peng Gong; Zhenqi Zhang; Ran Lu","Luminescence switching of a persistent room-temperature phosphorescent pure organic molecule in response to external stimuli","Chem.Commun.","2015","51","","10381","","10.1039/C5cc03403E","","","0.71073","MoKα","","0.0653","0.0428","","","0.108","0.1233","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117321","9.212","0.0018","12.624","0.003","12.927","0.003","94.78","0.03","109.99","0.03","105.42","0.03","1336.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1a","7-(diethylamino)-2-oxo-2H-chromene-3-carbohydrazide","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","2","","Lingliang Long; Yanjun Wu; Lin Wang; Aihua Gong; Feilong Hu; Chi Zhang","A fluorescent probe for hypochlorite based on the modulation of the unique rotation of the N-N single bond in acetohydrazide","Chem.Commun.","2015","51","","10435","","10.1039/C5cc03972J","","","0.71073","MoKα","","0.0424","0.035","","","0.0912","0.0962","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117322","13.1553","0.0007","6.9401","0.0004","21.0792","0.0014","90","","109.629","0.005","90","","1812.67","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1b","7-(diethylamino)-2-oxo-N'-phenyl-2H-chromene-3-carbohydrazide","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Lingliang Long; Yanjun Wu; Lin Wang; Aihua Gong; Feilong Hu; Chi Zhang","A fluorescent probe for hypochlorite based on the modulation of the unique rotation of the N-N single bond in acetohydrazide","Chem.Commun.","2015","51","","10435","","10.1039/C5cc03972J","","","0.71073","MoKα","","0.096","0.0559","","","0.1421","0.1604","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117323","13.077","0.004","12.197","0.004","16.687","0.004","90","","114.69","0.018","90","","2418.3","1.3","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.1117","0.0698","","","0.1729","0.2595","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117324","10.747","0.003","10.565","0.004","23.94","0.006","90","","111.837","0.011","90","","2523.2","1.4","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.098","0.0599","","","0.1473","0.2093","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117325","7.799","0.003","13.077","0.005","14.674","0.006","102.019","0.006","102.584","0.007","105.196","0.006","1352.4","0.9","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C30 H30 Br Cl N2 O3 -","- C30 H30 Br Cl N2 O3 -","- C60 H60 Br2 Cl2 N4 O6 -","2","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.1044","0.0695","","","0.1708","0.2572","","","","","","1.103","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117326","10.198","0.002","12.405","0.002","12.423","0.002","79.72","0.02","70.82","0.02","72.77","0.02","1412","0.5","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C31 H33 Cl N2 O4 -","- C31 H33 Cl N2 O4 -","- C62 H66 Cl2 N4 O8 -","2","1","","Kalia, Dimpy; K. S., Anil Kumar; Meena, Gajanand; Sethi, Kashmir Prasad; Sharma, Rohit; Trivedi, Priyanka; Khan, Shaheb Raj; Verma, Ajay Singh; Singh, Shyam; Sharma, Sandeep; Roy, Kuldeep K.; Kant, Ruchir; Krishnan, Manju Yasodha; Singh, Bhupendra N.; Sinha, Sudhir; Chaturvedi, Vinita; Saxena, Anil K.; Dikshit, Dinesh K.","Synthesis and anti-tubercular activity of conformationally-constrained and bisquinoline analogs of TMC207","Med. Chem. Commun.","2015","6","8","1554","","10.1039/C5MD00131E","","","0.71073","MoKα","","0.0562","0.0383","","","0.0889","0.1131","","","","","","1.083","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117327","9.9379","0.0006","10.0008","0.0006","10.8276","0.0006","96.918","0.002","104.753","0.002","99.92","0.002","1009.72","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Min Tang; Dong Xing; Haoxi Huang; Wenhao Hu","Divergent synthesis of chiral heterocycles via sequencing of enantioselective three-component reactions and one-pot subsequent cyclization reactions","Chem.Commun.","2015","51","","10612","","10.1039/C5cc01979F","","","0.71073","MoKα","","0.0825","0.045","","","0.0989","0.1226","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117328","9.6542","0.0008","10.7705","0.0009","12.1323","0.0009","87.694","0.002","71.902","0.002","69.127","0.002","1116.89","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Min Tang; Dong Xing; Haoxi Huang; Wenhao Hu","Divergent synthesis of chiral heterocycles via sequencing of enantioselective three-component reactions and one-pot subsequent cyclization reactions","Chem.Commun.","2015","51","","10612","","10.1039/C5cc01979F","","","0.71073","MoKα","","0.0401","0.0318","","","0.077","0.0887","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117329","9.1316","0.0014","11.5658","0.0017","12.884","0.002","87.471","0.005","84.937","0.005","78.96","0.005","1329.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C56 H50 N2 O14 -","2","1","","Min Tang; Dong Xing; Haoxi Huang; Wenhao Hu","Divergent synthesis of chiral heterocycles via sequencing of enantioselective three-component reactions and one-pot subsequent cyclization reactions","Chem.Commun.","2015","51","","10612","","10.1039/C5cc01979F","","","0.71073","MoKα","","0.074","0.0476","","","0.125","0.1464","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117333","37.4763","0.0002","37.4763","0.0002","37.4763","0.0002","90","","90","","90","","52634.5","0.5","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C24 H256 Cl14 Gd24 O217 Zn4 -","- C24 H80 Cl10 Gd24 O161 Zn4 -","- C192 H640 Cl80 Gd192 O1288 Zn32 -","8","0.0416667","","Xiu-Ying Zheng; Shi-Qiang Wang; Wen Tang; Gui-Lin Zhuang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Lan-Sun Zheng","Two nanosized 3d-4f clusters featuring four Ln6 octahedra encapsulating a Zn4 tetrahedron","Chem.Commun.","2015","51","","10687","","10.1039/C5cc02397A","","","0.71073","MoKα","","0.052","0.0467","","","0.1331","0.1375","","","","","","1.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117334","37.8651","0.0004","37.8651","0.0004","37.8651","0.0004","90","","90","","90","","54289.7","1","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C24 H216 Cl14 O197 Sm24 Zn4 -","- C24 H80 Cl10 O161 Sm24 Zn4 -","- C192 H640 Cl80 O1288 Sm192 Zn32 -","8","0.0416667","","Xiu-Ying Zheng; Shi-Qiang Wang; Wen Tang; Gui-Lin Zhuang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Lan-Sun Zheng","Two nanosized 3d-4f clusters featuring four Ln6 octahedra encapsulating a Zn4 tetrahedron","Chem.Commun.","2015","51","","10687","","10.1039/C5cc02397A","","","0.71073","MoKα","","0.076","0.0558","","","0.1589","0.1737","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117337","8.412","0.003","15.9905","0.0015","8.469","0.002","90","","91.55","0.03","90","","1138.8","0.5","293","","293","","","","0.25","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.149","0.1048","","0.2212","0.1888","0.2212","","","","","","0.9588","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117338","8.337","0.003","15.8027","0.0014","8.4626","0.0019","90","","91.44","0.03","90","","1114.6","0.5","293","","293","","","","0.54","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.1285","0.0925","","0.1813","0.1603","0.1813","","","","","","0.9407","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117339","8.2031","0.0015","15.4235","0.001","8.4569","0.0014","90","","90.851","0.014","90","","1069.9","0.3","293","","293","","","","0.99","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.1067","0.08","","0.1533","0.1384","0.1526","","","","","","0.9879","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117340","8.116","0.002","15.121","0.001","8.4699","0.0016","90","","90.38","0.03","90","","1039.4","0.3","293","","293","","","","1.49","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.098","0.0759","","0.1667","0.1524","0.1667","","","","","","0.9781","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117341","8.0755","0.0016","14.874","0.003","8.4734","0.0017","90","","89.76","0.03","90","","1017.8","0.4","293","","293","","","","1.89","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.1551","0.095","","0.2193","0.181","0.2159","","","","","","0.9791","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117342","8.0025","0.0016","14.448","0.003","8.4923","0.0017","90","","89.15","0.03","90","","981.8","0.3","293","","293","","","","2.84","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.0882","0.0664","","0.1844","0.1657","0.1844","","","","","","0.9946","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117343","8.45062","0.00016","15.9403","0.0003","8.46555","0.00013","90","","91.0663","0.0017","90","","1140.16","0.04","30","","30","","","","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.6889","Synchrotron","","0.0543","0.042","","0.1033","0.0962","0.1033","","","","","","0.9081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117344","7.9246","0.0016","14.028","0.003","8.4897","0.0017","90","","88.75","0.03","90","","943.5","0.3","293","","293","","","","4.03","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.0743","0.0557","","0.1166","0.1055","0.1161","","","","","","0.9767","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117345","7.8626","0.0016","13.721","0.003","8.4707","0.0017","90","","88.55","0.03","90","","913.5","0.3","293","","293","","","","5.2","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.099","0.0692","","0.1644","0.1408","0.1644","","","","","","0.969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117346","8.5322","0.0017","16.412","0.003","8.4958","0.0017","90","","91.78","0.03","90","","1189.1","0.4","293","","293","","","","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.0589","0.0427","","0.1076","0.0976","0.1074","","","","","","0.9671","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117347","8.546","0.0017","16.42","0.003","8.5053","0.0017","90","","91.78","0.03","90","","1192.9","0.4","293","","293","","","","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Elena L. Harty; Alex R. Ha; Mark R. Warren; Amber L. Thompson; David R. Allan; Andrew L. Goodwin; Nicholas P. Funnell","Reversible piezochromism in a molecular wine-rack","Chem.Commun.","2015","51","","10608","","10.1039/C5cc02916C","","","0.71073","MoKα","","0.077","0.0464","","0.0901","0.0729","0.0899","","","","","","1.0366","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117348","12.1055","0.0004","25.0614","0.0009","14.662","0.0004","90","","123.958","0.002","90","","3689.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Br2 Cl2 N3 P -","- C34 H50 Br2 Cl2 N3 P -","- C136 H200 Br8 Cl8 N12 P4 -","4","1","","Thomas Simler; Andreas A. Danopoulos; Pierre Braunstein","N-Heterocyclic carbene-phosphino-picolines as precursors of anionic 'pincer' ligands with dearomatised pyridine backbones; transmetallation from potassium to chromium","Chem.Commun.","2015","51","","10699","","10.1039/C5cc02920A","","","0.71073","MoKα","","0.0934","0.0585","","","0.1313","0.1487","","","","","","1.021","","","","has coordinates,has disorder","139680","2020-10-21","18:00:00",""
"7117349","12.9906","0.0012","14.5542","0.0013","21.8297","0.0019","72.803","0.002","78.663","0.002","70.389","0.002","3692.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H220 K4 N12 O4 P4 -","- C148 H220 K4 N12 O4 P4 -","- C148 H220 K4 N12 O4 P4 -","1","0.5","","Thomas Simler; Andreas A. Danopoulos; Pierre Braunstein","N-Heterocyclic carbene-phosphino-picolines as precursors of anionic 'pincer' ligands with dearomatised pyridine backbones; transmetallation from potassium to chromium","Chem.Commun.","2015","51","","10699","","10.1039/C5cc02920A","","","0.71073","MoKα","","0.2459","0.0896","","","0.1884","0.2458","","","","","","0.944","","","","has coordinates,has disorder","139680","2020-10-21","18:00:00",""
"7117350","8.37","0.002","23.052","0.006","17.18","0.004","90","","116.249","0.01","90","","2973","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl Cr N3 P -","- C29 H41 Cl Cr N3 P -","- C116 H164 Cl4 Cr4 N12 P4 -","4","1","","Thomas Simler; Andreas A. Danopoulos; Pierre Braunstein","N-Heterocyclic carbene-phosphino-picolines as precursors of anionic 'pincer' ligands with dearomatised pyridine backbones; transmetallation from potassium to chromium","Chem.Commun.","2015","51","","10699","","10.1039/C5cc02920A","","","0.71073","MoKα","","0.132","0.0636","","","0.1246","0.1452","","","","","","1.015","","","","has coordinates","139680","2020-10-21","18:00:00",""
"7117354","7.6707","0.001","15.0819","0.0013","18.167","0.002","105.557","0.009","94.548","0.01","95.487","0.009","2003.3","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H50 N4 S Si2 -","- C44 H50 N4 S Si2 -","- C88 H100 N8 S2 Si4 -","2","1","","A. Belen Marco; Diego Cortizo-Lacalle; Cristian Gozalvez; Mikel Olano; Ainhoa Atxabal; Xiangnan Sun; Manuel Melle-Franco; Luis E. Hueso; Aurelio Mateo-Alonso","An electron-conducting pyrene-fused phenazinothiadiazole","Chem.Commun.","2015","51","","10754","","10.1039/C5cc03096J","","x-ray","1.54184","CuKα","","0.1527","0.0753","","","0.1577","0.2032","","","","","","0.966","","","","has coordinates","139681","2020-10-21","18:00:00",""
"7117355","10.7482","0.0003","11.7146","0.0003","16.2326","0.0005","108.178","0.0013","100.829","0.0013","99.8863","0.0013","1848.28","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Al Cl6 P3 -","- C37 H30 Al Cl6 P3 -","- C74 H60 Al2 Cl12 P6 -","2","1","","Chitra Gurnani; Nemanja Dordevic; Senthilkumar Muthaiah; Dusan Dimic; Rakesh Ganguly; Milena Petkovic; Dragoslav Vidovic","Extending the chemistry of carbones: P-N bond cleavage via an SN2'-like mechanism","Chem.Commun.","2015","51","","10762","","10.1039/C5cc03194J","","","0.71073","MoKα","","0.0433","0.0326","","","0.0786","0.0845","","","","","","1.038","","","","has coordinates","139682","2020-10-21","18:00:00",""
"7117356","11.63","0.0009","19.1931","0.0014","21.194","0.0013","90","","90","","90","","4730.8","0.6","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 F6 N4 P Sb -","- C19 H20 Cl1.998 F6 N4 P0.999 Sb -","- C152 H160 Cl15.984 F48 N32 P7.992 Sb8 -","8","1","","Chitra Gurnani; Nemanja Dordevic; Senthilkumar Muthaiah; Dusan Dimic; Rakesh Ganguly; Milena Petkovic; Dragoslav Vidovic","Extending the chemistry of carbones: P-N bond cleavage via an SN2'-like mechanism","Chem.Commun.","2015","51","","10762","","10.1039/C5cc03194J","","","0.71073","MoKα","","0.1188","0.0604","","","0.1577","0.2044","","","","","","1.068","","","","has coordinates,has disorder","139682","2020-10-21","18:00:00",""
"7117357","10.7238","0.0009","7.4576","0.0007","13.759","0.0011","90","","93.502","0.001","90","","1098.3","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Br N O4 -","- C24 H26 Br N O4 -","- C48 H52 Br2 N2 O8 -","2","1","","Shutao Sun; Ying Mao; Hongxiang Lou; Lei Liu","Copper(II)/amine synergistically catalyzed enantioselective alkylation of cyclic N-acyl hemiaminals with aldehydes","Chem.Commun.","2015","51","","10691","","10.1039/C5cc03314D","","","0.71073","MoKα","","0.1096","0.0574","","","0.1164","0.1297","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117358","5.1792","0.0004","11.1118","0.0009","36.24","0.003","90","","90","","90","","2085.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C92 H96 Br4 N4 O16 -","4","1","","Shutao Sun; Ying Mao; Hongxiang Lou; Lei Liu","Copper(II)/amine synergistically catalyzed enantioselective alkylation of cyclic N-acyl hemiaminals with aldehydes","Chem.Commun.","2015","51","","10691","","10.1039/C5cc03314D","","","0.71073","MoKα","","0.0941","0.0467","","","0.0666","0.0732","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117359","7.4474","0.0003","16.4971","0.0008","12.9089","0.0006","90","","90","","90","","1585.99","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Rac-2-methyl-1-phenyl-2,3,4,5,6,10b-hexahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium chloride","","- C19 H22 Cl N -","- C19 H22 Cl N -","- C76 H88 Cl4 N4 -","4","1","","YoungKu Kang; Matthew T. Richers; Conrad H. Sawicki; Daniel Seidel","C-H functionalization of cyclic amines: redox-annulations with alpha,beta-unsaturated carbonyl compounds","Chem.Commun.","2015","51","","10648","","10.1039/C5cc03390J","","","0.71073","MoKα","","0.0468","0.0422","","","0.0927","0.0951","","","","","","1","","","","has coordinates","139684","2020-10-21","18:00:00",""
"7117360","13.9903","0.0005","6.5457","0.0003","19.158","0.0007","90","","103.355","0.0008","90","","1706.97","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rac-1-(4-bromophenyl)-3-phenyloctahydropyrrolizin-4-ium-4-yl)trihydroborate","","- C20 H23 Br N -","- C20 H23 Br N -","- C80 H92 Br4 N4 -","4","1","","YoungKu Kang; Matthew T. Richers; Conrad H. Sawicki; Daniel Seidel","C-H functionalization of cyclic amines: redox-annulations with alpha,beta-unsaturated carbonyl compounds","Chem.Commun.","2015","51","","10648","","10.1039/C5cc03390J","","","0.71073","MoKα","","0.0482","0.0364","","","0.0829","0.0874","","","","","","1.006","","","","has coordinates","139684","2020-10-21","18:00:00",""
"7117361","34.7264","0.0006","34.7264","0.0006","155.851","0.003","90","","90","","120","","162765","5","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C444 H1061 Cl9 In84 Mn23 N148 O7 Se150 -","- C432 Cl9 In84 Mn26 N126 O7 Se150 -","- C2592 Cl54 In504 Mn156 N756 O42 Se900 -","6","0.166667","","Yu-Hong Wang; Jing Wu; Xiao-Wei Zhao; Li-Wen Qian; Qin-Yu Zhu; Jie Dai","A nano-scale triangular ring cluster of indium-selenide: the structure and templating effect","Chem.Commun.","2015","51","","10668","","10.1039/C5cc03404C","","","0.71073","MoKα","","0.1329","0.0985","","","0.194","0.2164","","","","","","1.167","","","","has coordinates","139685","2020-10-21","18:00:00",""
"7117362","9.4329","0.0013","11.2567","0.0016","29.197","0.004","85.049","0.002","83.862","0.002","67.021","0.002","2834.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bicyclic [4]dendralene","","- C46 H98 O Si10 -","- C46 H98 O Si10 -","- C92 H196 O2 Si20 -","2","1","","Tomoyuki Kosai; Shintaro Ishida; Takeaki Iwamoto","Transformation of azulenes to bicyclic [4]dendralene and heptafulvene derivatives via photochemical cycloaddition of dialkylsilylene","Chem.Commun.","2015","51","","10707","","10.1039/C5cc03424H","","","0.71073","MoKα","","0.0608","0.0445","","","0.0999","0.1036","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117363","9.5864","0.0015","10.9534","0.0017","18.638","0.003","105.877","0.002","92.815","0.002","110.499","0.002","1740.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","bicyclic heptafulvene","","- C31 H58 Si5 -","- C31 H58 Si5 -","- C62 H116 Si10 -","2","1","","Tomoyuki Kosai; Shintaro Ishida; Takeaki Iwamoto","Transformation of azulenes to bicyclic [4]dendralene and heptafulvene derivatives via photochemical cycloaddition of dialkylsilylene","Chem.Commun.","2015","51","","10707","","10.1039/C5cc03424H","","","0.71073","MoKα","","0.0382","0.0348","","","0.0954","0.098","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117364","9.45","0.0019","16.69","0.003","19.57","0.004","82.49","0.03","88.39","0.03","74.9","0.03","2954.4","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H43 N5 -","- C66 H43 N5 -","- C132 H86 N10 -","2","1","","Chenglong Li; Shipan Wang; Weiping Chen; Jinbei Wei; Guochun Yang; Kaiqi Ye; Yu Liu; Yue Wang","High performance full color OLEDs based on a class of molecules with dual carrier transport channels and small singlet-triplet splitting","Chem.Commun.","2015","51","","10632","","10.1039/C5cc03492B","","","0.71073","MoKα","","0.0867","0.0549","","","0.1548","0.1685","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117365","10.8958","0.0012","17.3981","0.0019","19.868","0.002","90","","91.143","0.002","90","","3765.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 N3 O12 -","- C40 H41 N3 O12 -","- C160 H164 N12 O48 -","4","1","","Qi-Lin Wang; Tian Cai; Jing Zhou; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An unprecedented base-promoted domino reaction of methyleneindolinones and N-tosyloxycarbamates for the construction of bispirooxindoles and spiroaziridine oxindoles","Chem.Commun.","2015","51","","10726","","10.1039/C5cc03793J","","","0.71073","MoKα","","0.0597","0.0449","","","0.1174","0.1276","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117366","6.647","0.008","12.469","0.015","14.173","0.016","87.147","0.015","79.429","0.016","89.31","0.015","1153","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C48 H48 N4 O14 -","2","1","","Qi-Lin Wang; Tian Cai; Jing Zhou; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An unprecedented base-promoted domino reaction of methyleneindolinones and N-tosyloxycarbamates for the construction of bispirooxindoles and spiroaziridine oxindoles","Chem.Commun.","2015","51","","10726","","10.1039/C5cc03793J","","","0.71073","MoKα","","0.2708","0.1679","","","0.4117","0.4605","","","","","","1.079","","","","has coordinates","139688","2020-10-21","18:00:00",""
"7117367","8.5466","0.0006","9.9789","0.0006","14.7438","0.001","104.047","0.003","91.109","0.004","101.147","0.003","1193.92","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H30 B F4 Fe N3 -","- C25 H30 B F4 Fe N3 -","- C50 H60 B2 F8 Fe2 N6 -","2","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71073","MoKα","","0.0523","0.0445","","","0.1229","0.129","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117368","21.0171","0.0008","49.949","0.003","7.7045","0.0003","90","","90","","90","","8088.1","0.7","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H27 Fe N3 -","- C24 H27 Fe N3 -","- C384 H432 Fe16 N48 -","16","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71073","MoKα","","0.0565","0.039","","","0.0603","0.0635","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117369","7.2798","0.0015","16.749","0.004","14.796","0.003","90","","103.923","0.004","90","","1751.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Fe N3 -","- C21 H21 Fe N3 -","- C84 H84 Fe4 N12 -","4","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71073","MoKα","","0.0492","0.038","","","0.0956","0.1051","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117370","9.213","0.005","9.618","0.005","47.215","0.005","90","","90","","90","","4184","3","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 B F4 Fe N3 -","- C22 H24 B F4 Fe N3 -","- C176 H192 B8 F32 Fe8 N24 -","8","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71069","MoKα","","0.1331","0.0696","","","0.1623","0.2027","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117371","29.3929","0.0014","9.2832","0.0004","17.3954","0.0008","90","","90.428","0.002","90","","4746.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Au Cl Fe N3 -","- C25 H29 Au Cl Fe N3 -","- C200 H232 Au8 Cl8 Fe8 N24 -","8","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71073","MoKα","","0.021","0.017","","","0.0339","0.0349","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117372","24.435","0.005","7.515","0.005","11.492","0.005","90","","93.546","0.005","90","","2106.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Au Cl Fe N3 -","- C22 H23 Au Cl Fe N3 -","- C88 H92 Au4 Cl4 Fe4 N12 -","4","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71069","MoKα","","0.0495","0.0283","","","0.0513","0.0566","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117373","14.274","0.004","18.624","0.005","12.53","0.004","90","","115.14","0.012","90","","3015.4","1.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H78 La4 N4 O53 P12 -","- C12 H36 La4 N4 O53 P12 -","- C24 H72 La8 N8 O106 P24 -","2","0.5","","Ricardo F. Mendes; Patricia Silva; Margarida M. Antunes; Anabela A. Valente; Filipe A. Almeida Paz","Sustainable synthesis of a catalytic active one-dimensional lanthanide-organic coordination polymer","Chem.Commun.","2015","51","","10807","","10.1039/C5cc01888A","","","0.71073","MoKα","","0.1757","0.0754","","","0.1177","0.1464","","","","","","1.004","","","","has coordinates","139849","2020-10-21","18:00:00",""
"7117374","11.7995","0.0002","15.2788","0.0002","24.2492","0.0003","90","","116.868","0.001","90","","3899.77","0.1","128.05","0.1","128.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tb-NITPhCOOMe-1D","","- C30 H22 F18 N2 O10 Tb -","- C30 H22 F18 N2 O10 Tb -","- C120 H88 F72 N8 O40 Tb4 -","4","1","","Leilei Li; Shuang Liu; Han Li; Wei Shi; Peng Cheng","Influence of external magnetic field and magnetic-site dilution on the magnetic dynamics of a one-dimensional Tb(III)-radical complex","Chem.Commun.","2015","51","","10933","","10.1039/C5cc01889G","","","0.71073","MoKα","","0.0337","0.0276","","","0.0596","0.0629","","","","","","1.04","","","","has coordinates,has disorder","139851","2020-10-21","18:00:00",""
"7117375","15.9351","0.0015","14.7211","0.0014","21.273","0.002","90","","90","","90","","4990.3","0.8","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2 in manuscript","","","- C21 H44 O2 P2 Pd -","- C21 H44 O2 P2 Pd -","- C168 H352 O16 P16 Pd8 -","8","2","","S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach","Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight","Chem.Commun.","2015","51","","10907","","10.1039/C5cc01932J","","","0.71073","MoKα","","0.0874","0.0502","","","0.0788","0.0904","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117376","11.1923","0.0013","16.4379","0.0019","16.7601","0.0019","90","","101.082","0.0018","90","","3026","0.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","3 in manuscript","","","- C30 H58 P2 Pd -","- C30 H58 P2 Pd -","- C120 H232 P8 Pd4 -","4","1","","S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach","Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight","Chem.Commun.","2015","51","","10907","","10.1039/C5cc01932J","","","0.71073","MoKα","","0.0371","0.0326","","","0.0567","0.0605","","","","","","1.071","","","","has coordinates","139852","2020-10-21","18:00:00",""
"7117377","28.266","0.002","13.8216","0.0011","18.2436","0.0014","90","","118.016","0.002","90","","6292.2","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5 in manuscript","","","- C31.5 H56 O2 P2 Pd -","- C31.5 H56 O2 P2 Pd -","- C252 H448 O16 P16 Pd8 -","8","1","","S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach","Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight","Chem.Commun.","2015","51","","10907","","10.1039/C5cc01932J","","","0.71073","MoKα","","0.081","0.0515","","","0.0832","0.0956","","","","","","1.063","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117378","17.3557","0.0015","17.2752","0.0014","27.49","0.002","90","","106.717","0.002","90","","7893.8","1.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","additional structure","","","- C39 H56 F2 O4 P2 Pd -","- C39 H56 F2 O4 P2 Pd -","- C312 H448 F16 O32 P16 Pd8 -","8","2","","S. Chantal E. Stieber; Nuria Huguet; Takeharu Kageyama; Ivana Jevtovikj; Piyal Ariyananda; Alvaro Gordillo; Stephan A. Schunk; Frank Rominger; Peter Hofmann; Michael Limbach","Acrylate formation from CO2 and ethylene: catalysis with palladium and mechanistic insight","Chem.Commun.","2015","51","","10907","","10.1039/C5cc01932J","","","0.71073","MoKα","","0.1376","0.0936","","","0.1907","0.2158","","","","","","1.082","","","","has coordinates,has disorder","139852","2020-10-21","18:00:00",""
"7117379","9.8399","0.0006","7.9143","0.0005","10.7479","0.0008","90","","112.006","0.008","90","","776.02","0.1","200","","200","","","","","","","","","3","P 1 21 1","P 2yb","4","","(S,S)-PhCOCH(COCH3)CH(Ph)CHCH2","","- C19 H18 O2 -","- C19 H18 O2 -","- C38 H36 O4 -","2","1","","Naoya Kanbayashi; Kazuki Hosoda; Masanori Kato; Koichiro Takii; Taka-aki Okamura; Kiyotaka Onitsuka","Enantio- and diastereoselective asymmetric allylic alkylation catalyzed by a planar-chiral cyclopentadienyl ruthenium complex","Chem.Commun.","2015","51","","10895","","10.1039/C5cc02414E","","","1.54187","CuKα","","0.044","0.0378","","","0.0925","0.0965","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117380","13.884","0.004","10.515","0.004","22.936","0.006","90","","96.166","0.007","90","","3329.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Br Cl O3 -","- C18 H12 Br Cl O3 -","- C144 H96 Br8 Cl8 O24 -","8","1","","Dattatraya H. Dethe; Ganesh M. Murhade","FeCl3 mediated synthesis of substituted indenones by a formal [2+2] cycloaddition/ring opening cascade of o-keto-cinnamates","Chem.Commun.","2015","51","","10891","","10.1039/C5cc03040D","","","0.71073","MoKα","","0.0723","0.043","","","0.1021","0.1215","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117381","15.3212","0.0004","15.0201","0.0006","17.8636","0.0006","90","","98.982","0.003","90","","4060.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 B3 F20 N2 O -","- C37 H35 B3 F20 N2 O -","- C148 H140 B12 F80 N8 O4 -","4","1","","Liam D. Curless; Ewan R. Clark; Jessica Cid; Alessandro Del Grosso; Michael J. Ingleson","Complete reductive cleavage of CO facilitated by highly electrophilic borocations","Chem.Commun.","2015","51","","10903","","10.1039/C5cc03504J","","","0.71073","MoKα","","0.0889","0.0557","","","0.1505","0.1792","","","","","","1.016","","","","has coordinates","139855","2020-10-21","18:00:00",""
"7117382","8.7661","0.0005","13.7257","0.0007","15.8543","0.0008","82.373","0.004","83.288","0.004","81.661","0.004","1861.44","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 B2 F20 N2 -","- C36 H32 B2 F20 N2 -","- C72 H64 B4 F40 N4 -","2","1","","Liam D. Curless; Ewan R. Clark; Jessica Cid; Alessandro Del Grosso; Michael J. Ingleson","Complete reductive cleavage of CO facilitated by highly electrophilic borocations","Chem.Commun.","2015","51","","10903","","10.1039/C5cc03504J","","x-ray","0.71073","MoKα","","0.0938","0.0581","","","0.0951","0.1126","","","","","","1.046","","","","has coordinates","139855","2020-10-21","18:00:00",""
"7117383","17.1065","0.0012","17.1065","0.0012","17.1065","0.0012","90","","90","","90","","5005.9","0.6","130.8","0.14","130.8","0.14","","","","","","","","6","P n -3 n","-P 4a 2bc 3","222","","","","- C16 H24 Gd3 Mn2 N48 O16 -","- C16 H24 Gd3 Mn2 N48 O16 -","- C64 H96 Gd12 Mn8 N192 O64 -","4","","","Huan-Cheng Hu; Xiao-Min Kang; Chun-Shuai Cao; Peng Cheng; Bin Zhao","First tetrazole-bridged d-f heterometallic MOFs with a large magnetic entropy change","Chem.Commun.","2015","51","","10850","","10.1039/C5cc03670D","","","0.71073","MoKα","","0.0937","0.055","","","0.1571","0.1824","","","","","","1.07","","","","has coordinates","139856","2020-10-21","18:00:00",""
"7117384","9.2622","0.0007","18.511","0.0015","9.5911","0.0008","90","","112.413","0.002","90","","1520.2","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H21 Cl2 I N P2 Pd -","- C27 H21 Cl2 I N P2 Pd -","- C54 H42 Cl4 I2 N2 P4 Pd2 -","2","1","","Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu","Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction","Chem.Commun.","2015","51","","10871","","10.1039/C5cc03697F","","","0.71073","MoKα","","0.0767","0.0727","","","0.2157","0.2215","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117385","17.0157","0.0004","15.2244","0.0004","27.1217","0.0007","90","","90","","90","","7026","0.3","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Au Cl F3 N O3 P2 S -","- C34 H32 Au Cl F3 N O3 P2 S -","- C272 H256 Au8 Cl8 F24 N8 O24 P16 S8 -","8","1","","Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu","Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction","Chem.Commun.","2015","51","","10871","","10.1039/C5cc03697F","","","0.71073","MoKα","","0.056","0.0321","","","0.0694","0.0797","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117386","18.0468","0.0004","13.1909","0.0003","14.8731","0.0003","90","","112.083","0.001","90","","3280.86","0.13","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Au Cl F3 N O4 P2 S -","- C29 H30 Au Cl F3 N O4 P2 S -","- C116 H120 Au4 Cl4 F12 N4 O16 P8 S4 -","4","1","","Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu","Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction","Chem.Commun.","2015","51","","10871","","10.1039/C5cc03697F","","","0.71073","MoKα","","0.0575","0.046","","","0.1276","0.1386","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117387","16.51","0.004","27.312","0.003","17.957","0.003","90","","96.33","0.03","90","","8048","3","200","0.1","200","","","","","","","","","4","P 1 21 1","P 2yb","4","(all-R)cyclohexylhemicucurbit[8]uril","","","- C134.75 H221 N32 O23.75 -","- C134.75 H221 N32 O23.75 -","- C269.5 H442 N64 O47.5 -","2","1","","E. Prigorchenko; M. Oeren; S. Kaabel; M. Fomitsenko; I. Reile; I. Jarving; T. Tamm; F. Topic; K. Rissanen; R. Aav","Template-controlled synthesis of chiral cyclohexylhemicucurbit[8]uril","Chem.Commun.","2015","51","","10921","","10.1039/C5cc04101E","","x-ray","1.54178","CuKα","","0.0684","0.0592","","","0.1575","0.1666","","","","","","1.024","","","","has coordinates","139858","2020-10-21","18:00:00",""
"7117388","23.6326","0.0012","22.5386","0.0011","37.8111","0.0015","90","","126.954","0.003","90","","16094.2","1.4","270.1","0.2","270.1","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C95 H156 Cr6 F8 N2 O30 Zn2 -","- C95 H156 Cr6 F8 N2 O30 Zn2 -","- C380 H624 Cr24 F32 N8 O120 Zn8 -","4","1","","Antonio Fernandez; Eufemio Moreno Pineda; Jesus Ferrando-Soria; Eric J. L. McInnes; Grigore A. Timco; Richard E. P. Winpenny","A hybrid organic-inorganic molecular daisy chain","Chem.Commun.","2015","51","","11126","","10.1039/C5cc02216A","","x-ray","0.71073","MoKα","","0.1376","0.0836","","","0.2327","0.2886","","","","","","1.021","","","","has coordinates,has disorder","139859","2020-10-21","18:00:00",""
"7117389","11.2265","0.0011","14.264","0.0014","12.7921","0.0012","90","","97.221","0.001","90","","2032.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu N5 S -","- C21 H25 Cl Cu N5 S -","- C84 H100 Cl4 Cu4 N20 S4 -","4","1","","B. N. Sanchez-Eguia; M. Flores-Alamo; M. Orio; I. Castillo","Side-on cupric-superoxo triplet complexes as competent agents for H-abstraction relevant to the active site of PHM","Chem.Commun.","2015","51","","11134","","10.1039/C5cc02332G","","","0.71073","MoKα","","0.0365","0.0313","","","0.0779","0.0806","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117390","47.532","0.004","11.8821","0.0005","29.711","0.002","90","","135.477","0.015","90","","11766","3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H66 Cu2 F6 N10 O8 S4 -","- C52 H66 Cu2 F6 N10 O8 S4 -","- C416 H528 Cu16 F48 N80 O64 S32 -","8","1","","B. N. Sanchez-Eguia; M. Flores-Alamo; M. Orio; I. Castillo","Side-on cupric-superoxo triplet complexes as competent agents for H-abstraction relevant to the active site of PHM","Chem.Commun.","2015","51","","11134","","10.1039/C5cc02332G","","","0.71073","MoKα","","0.0998","0.065","","","0.1569","0.1848","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117391","8.1746","0.0004","23.0559","0.0009","13.4166","0.0006","90","","103.092","0.001","90","","2462.94","0.19","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Br Cl3 Cu2 N10 O8 S2 -","- C42 H50 Br Cl3 Cu2 N10 O8 S2 -","- C84 H100 Br2 Cl6 Cu4 N20 O16 S4 -","2","0.5","","B. N. Sanchez-Eguia; M. Flores-Alamo; M. Orio; I. Castillo","Side-on cupric-superoxo triplet complexes as competent agents for H-abstraction relevant to the active site of PHM","Chem.Commun.","2015","51","","11134","","10.1039/C5cc02332G","","","0.71073","MoKα","","0.0847","0.0485","","","0.1076","0.1202","","","","","","0.926","","","","has coordinates,has disorder","139860","2020-10-21","18:00:00",""
"7117392","11.6838","0.0004","26.1913","0.0011","15.5908","0.0007","90","","111.737","0.004","90","","4431.8","0.3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 Cu2 F6 N10 O8 S4 -","- C58 H64 Cu2 F6 N10 O8 S4 -","- C116 H128 Cu4 F12 N20 O16 S8 -","2","0.5","","B. N. Sanchez-Eguia; M. Flores-Alamo; M. Orio; I. Castillo","Side-on cupric-superoxo triplet complexes as competent agents for H-abstraction relevant to the active site of PHM","Chem.Commun.","2015","51","","11134","","10.1039/C5cc02332G","","x-ray","1.54184","CuKα","","0.0999","0.0679","","","0.1749","0.1917","","","","","","0.94","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117393","9.0312","0.0004","13.3378","0.0005","19.5264","0.0008","90","","99.689","0.004","90","","2318.53","0.17","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-1-phenyl-4-(tosylmethyl)-1,2,3,6-tetrahydro-[1,4]diazepino[2,3-b]indole","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C108 H108 N12 O8 S4 -","4","1","","Guorong Sheng; Kai Huang; Shicong Ma; Jing Qian; Ping Lu; Yanguang Wang","Preparation of 3-aryl-2-aminoindoles, 3-allyl-3-amino-2-iminoindolines, and tetrahydro-[1,4]diazepino[2,3-b]indoles from 3-diazoindolin-2-imines","Chem.Commun.","2015","51","","11056","","10.1039/C5cc03238E","","","0.71073","MoKα","","0.0656","0.0464","","","0.1139","0.1268","","","","","","1.046","","","","has coordinates","139861","2020-10-21","18:00:00",""
"7117394","12.6647","0.0004","15.6022","0.0007","17.2534","0.0008","90","","90","","90","","3409.2","0.2","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Cu2 F6 N6 O9 S2 -","- C22 H40 Cu2 F6 N6 O9 S2 -","- C88 H160 Cu8 F24 N24 O36 S8 -","4","1","","Mohammad S. Askari; MaylisOriob; Xavier Ottenwaelder","Controlled nitrene transfer from a tyrosinase-like arylnitroso-copper complex","Chem.Commun.","2015","51","","11206","","10.1039/C5cc02806J","","","1.54178","CuKα","","0.0868","0.0503","","","0.1047","0.1208","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117395","34.9331","0.0005","10.1199","0.0002","20.5135","0.0003","90","","90","","90","","7251.9","0.2","113","2","113","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl2 Cu F3 N4 O6 S -","- C29 H44 Cl2 Cu F3 N4 O6 S -","- C232 H352 Cl16 Cu8 F24 N32 O48 S8 -","8","1","","Mohammad S. Askari; MaylisOriob; Xavier Ottenwaelder","Controlled nitrene transfer from a tyrosinase-like arylnitroso-copper complex","Chem.Commun.","2015","51","","11206","","10.1039/C5cc02806J","","","1.54178","CuKα","","0.0721","0.0527","","","0.1423","0.1561","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117396","25.9044","0.0009","13.2058","0.0003","23.7598","0.0008","90","","99.772","0.003","90","","8010","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H41 Mn N8 O7 U -","- C39 H41 Mn N8 O7 U -","- C312 H328 Mn8 N64 O56 U8 -","8","1","","Lucile Chatelain; Floriana Tuna; Jacques Pecaut; Marinella Mazzanti","A zig-zag uranyl(V)-Mn(II) single chain magnet with a high relaxation barrier","Chem.Commun.","2015","51","","11309","","10.1039/C5cc02945G","","","0.71073","MoKα","","0.1141","0.0501","","","0.0697","0.0853","","","","","","0.967","","","","has coordinates,has disorder","139951","2020-10-21","18:00:00",""
"7117397","15.8348","0.0003","15.8348","0.0003","16.3777","0.0005","90","","90","","90","","4106.56","0.17","150","2","150","2","","","","","","","","6","P 42","P 4c","77","","","","- C44 H56 Co N4 O4 U -","- C43.9995 H55.9995 Co N3.9999 O4 U -","- C175.998 H223.998 Co4 N15.9996 O16 U4 -","4","1","","Lucile Chatelain; Floriana Tuna; Jacques Pecaut; Marinella Mazzanti","A zig-zag uranyl(V)-Mn(II) single chain magnet with a high relaxation barrier","Chem.Commun.","2015","51","","11309","","10.1039/C5cc02945G","","","0.71073","MoKα","","0.0822","0.0525","","","0.1141","0.1316","","","","","","1.031","","","","has coordinates,has disorder","139951","2020-10-21","18:00:00",""
"7117398","23.2307","0.0011","11.1515","0.0005","9.2568","0.0004","90","","90","","90","","2398.04","0.19","173","2","172.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N3 O2.5 -","- C13 H12 N3 O2.5 -","- C104 H96 N24 O20 -","8","1","","Hai Qian; Ivan Aprahamian","An emissive and pH switchable hydrazone-based hydrogel","Chem.Commun.","2015","51","","11158","","10.1039/C5cc03007B","","","1.54178","CuKα","","0.0976","0.0837","","","0.2561","0.269","","","","","","1.108","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117399","5.032","0.0002","9.7091","0.0004","12.6168","0.0006","89.6","0.004","89.102","0.004","79.669","0.004","606.34","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","","Hai Qian; Ivan Aprahamian","An emissive and pH switchable hydrazone-based hydrogel","Chem.Commun.","2015","51","","11158","","10.1039/C5cc03007B","","","1.54178","CuKα","","0.0872","0.0589","","","0.1532","0.1732","","","","","","1.037","","","","has coordinates,has disorder","139952","2020-10-21","18:00:00",""
"7117400","20.64","0.004","20.64","0.004","14.742","0.005","90","","90","","120","","5439","2","296","2","296","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C18 H76 Cu9 N36 O88 P2 W18 -","- C18 H66 Cu9 N36 O88 P2 W18 -","- C36 H132 Cu18 N72 O176 P4 W36 -","2","0.166667","","Yan-Qing Jiao; Hong-Ying Zang; Xin-Long Wang; En-Long Zhou; Bai-Qiao Song; Chun-Gang Wang; Kui-Zhan Shao; Zhong-Min Su","Self-assembled arrays of polyoxometalate-based metal-organic nanotubes for proton conduction and magnetism","Chem.Commun.","2015","51","","11313","","10.1039/C5cc03357H","","","0.71069","MoKα","","0.0789","0.0527","","","0.1283","0.1476","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117401","9.5125","0.0013","13.887","0.002","14.68","0.002","90","","90.249","0.003","90","","1939.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O7 S -","- C18 H23 N O7 S -","- C72 H92 N4 O28 S4 -","4","2","","Shizhou Liu; Mengchao Tong; Yang Yu; Hexin Xie; Hao Li; Wei Wang","Construction of an all-carbon quaternary stereocenter by organocatalytic enantioselective alpha-functionalization of alpha-substituted beta-ketocarbonyls with electron deficient vinylarenes","Chem.Commun.","2015","51","","11221","","10.1039/C5cc03562G","","","0.71073","MoKα","","0.0523","0.0444","","","0.1167","0.1232","","","","","","1.031","","","","has coordinates,has disorder","139955","2020-10-21","18:00:00",""
"7117402","9.39","0.006","15.536","0.011","17.758","0.011","64.69","0.02","79.19","0.02","85.9","0.03","2300","3","150","","149.71","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O -","- C20 H17.6667 O -","- C120 H106 O6 -","6","3","","Pérez, Manuel; Mahdi, Tayseer; Hounjet, Lindsay J.; Stephan, Douglas W.","Electrophilic phosphonium cations catalyze hydroarylation and hydrothiolation of olefins","Chemical Communications (Cambridge, United Kingdom)","2015","51","56","11301","11304","10.1039/c5cc03572d","","","0.71073","MoKα","","0.2263","0.0958","","","0.2355","0.3466","","","","","","0.9108","","","","has coordinates","210998","2020-10-21","18:00:00",""
"7117403","9.3731","0.001","9.7689","0.001","11.5285","0.0012","85.605","0.001","74.318","0.001","69.692","0.001","952.97","0.17","90","","90","","","","","","","","","3","P -1","-P 1","2","","1-(2,5-di-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline","","- C23 H31 N -","- C23 H31 N -","- C46 H62 N2 -","2","1","","Yuya Suzuki; Masato Kageyama; Ryuichi Morisawa; Yasuo Dobashi; Hiroshi Hasegawa; Satoshi Yokojima; Osamu Kitagawa","The synthesis of optically active N-C axially chiral tetrahydroquinoline and its response to an acid-accelerated molecular rotor","Chem.Commun.","2015","51","","11229","","10.1039/C5cc03659C","","","0.71073","MoKα","","0.0415","0.0369","","","0.0923","0.0959","","","","","","1.048","","","","has coordinates","171658","2020-10-21","18:00:00",""
"7117404","6.6033","0.0011","13.917","0.002","27.99","0.005","90","","90","","90","","2572.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O5 -","- C29 H24 Cl N O5 -","- C116 H96 Cl4 N4 O20 -","4","1","","Guofeng Li; Wangsheng Sun; Jingyi Li; Fengjing Jia; Liang Hong; Rui Wang","Organocatalytic enantioselective formal arylation of azlactones using quinones as the aromatic partner","Chem.Commun.","2015","51","","11280","","10.1039/C5cc03677A","","","0.71073","MoKα","","0.0865","0.0485","","","0.1078","0.1251","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117405","10.469","0.002","4.6557","0.0009","11.214","0.002","90","","101.251","0.003","90","","536.07","0.17","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Methylammonium Lead Triiodide Hydrate","","- C H8 I3 N O Pb -","- C H8 I3 N O Pb -","- C2 H16 I6 N2 O2 Pb2 -","2","0.5","","Gregory H. Imler; Xia Li; Bolei Xu; Graham E. Dobereiner; Hai-Lung Dai; Yi Rao; Bradford B. Wayland","Solid state transformation of the crystalline monohydrate (CH3NH3)PbI3(H2O) to the (CH3NH3)PbI3 perovskite","Chem.Commun.","2015","51","","11290","","10.1039/C5cc03741G","","","0.71073","MoKα","","0.0211","0.0207","","","0.0569","0.0572","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117406","33.964","0.003","14.5897","0.0014","33.787","0.003","90","","104.936","0.0014","90","","16177","3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C93.14 H86.24 Br11.98 Cl1.87 N24 O3.42 Zn5.99 -","- C93.144 H86.244 Br11.984 Cl1.872 N24 O3.42 Zn5.992 -","- C372.576 H344.976 Br47.936 Cl7.488 N96 O13.68 Zn23.968 -","4","1","","Timothy R. Ramadhar; Shao-Liang Zheng; Yu-Sheng Chen; Jon Clardy","The crystalline sponge method: MOF terminal ligand effects","Chem.Commun.","2015","51","","11252","","10.1039/c5cc03840E","","","0.40651","synchrotron","","0.0997","0.071","","","0.2044","0.2298","","","","","","1.055","","","","has coordinates,has disorder","139960","2020-10-21","18:00:00",""
"7117407","33.391","0.002","14.3975","0.001","33.897","0.002","90","","105.272","0.0012","90","","15720.4","1.7","100","2","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95.1 H90 Cl13.31 N24 O3.78 Zn6 -","- C95.103 H89.993 Cl13.305 N24 O3.778 Zn6 -","- C380.412 H359.972 Cl53.22 N96 O15.112 Zn24 -","4","1","","Timothy R. Ramadhar; Shao-Liang Zheng; Yu-Sheng Chen; Jon Clardy","The crystalline sponge method: MOF terminal ligand effects","Chem.Commun.","2015","51","","11252","","10.1039/c5cc03840E","","","0.40656","synchrotron","","0.1178","0.0847","","","0.2399","0.273","","","","","","1.056","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117408","20.7398","0.0002","9.2018","0.0001","17.6394","0.0002","90","","90","","90","","3366.36","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H41 N2 O5 P Si3 W -","- C26 H41 N2 O5 P Si3 W -","- C104 H164 N8 O20 P4 Si12 W4 -","4","1","","Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue","Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten","Chem.Commun.","2015","51","","11272","","10.1039/C5cc04247J","","","1.54184","CuKα","","0.0485","0.0468","","","0.1188","0.121","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117409","18.8405","0.0003","10.1491","0.0002","34.9207","0.0005","90","","92.318","0.001","90","","6671.87","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H82 N4 O10 P2 Si6 W2 -","- C52 H82 N4 O10 P2 Si6 W2 -","- C208 H328 N16 O40 P8 Si24 W8 -","4","0.5","","Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue","Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten","Chem.Commun.","2015","51","","11272","","10.1039/C5cc04247J","","","1.54184","CuKα","","0.0397","0.0361","","","0.0854","0.0881","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117410","9.1916","0.001","12.6389","0.0014","9.1878","0.001","90","","100.21","0.006","90","","1050.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Yanxin Yang; Maotong Xu; Datong Song","Organocatalysts with carbon-centered activity for CO2 reduction with boranes","Chem.Commun.","2015","51","","11293","","10.1039/C5cc04337A","","","0.71073","MoKα","","0.0802","0.0436","","","0.0979","0.1107","","","","","","1.012","","","","has coordinates","139962","2020-10-21","18:00:00",""
"7117411","24.4775","0.0004","12.968","0.0002","26.5412","0.0004","90","","94.383","0.001","90","","8400.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H45 N5 O3 Zn -","- C52 H45 N5 O3 Zn -","- C416 H360 N40 O24 Zn8 -","8","1","","MiLosz Pawlicki; Karolina Hurej; Katarzyna Kwiecinska; Ludmila Szterenberg; Lechoslaw Latos-Grazynski","A fused meso-aminoporphyrin: a switchable near-IR chromophore","Chem.Commun.","2015","51","","11362","","10.1039/C5cc01231G","","","1.54184","CuKα","","0.0786","0.0625","","","0.1644","0.1861","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117412","6.9776","0.0001","12.8353","0.0001","25.7684","0.0003","90","","90","","90","","2307.81","0.05","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Tianyu Huang; Lili Lin; Xiaolei Hu; Jianfeng Zheng; Xiaohua Liu; Xiaoming Feng","Kinetic resolution of 2,3-epoxy 3-aryl ketones via catalytic asymmetric ring-opening with pyrazole derivatives","Chem.Commun.","2015","51","","11374","","10.1039/C5cc02179K","","x-ray","1.54184","CuKα","","0.0476","0.0446","","","0.1249","0.1288","","","","","","1.026","","","","has coordinates","140000","2020-10-21","18:00:00",""
"7117413","28.0546","0.0017","9.681","0.0005","15.0716","0.0008","90","","109.781","0.006","90","","3851.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Ghosh, Abhijit; Sengupta, Archya; Chattopadhyay, Ansuman; Das, Debasis","Lysine triggered ratiometric conversion of dynamic to static excimer of a pyrene derivative: aggregation-induced emission, nanomolar detection and human breast cancer cell (MCF7) imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","57","11455","11458","10.1039/c5cc02389k","","","0.71073","MoKα","","0.1117","0.0489","","","0.1161","0.1454","","","","","","1.006","","","","has coordinates","210997","2020-10-21","18:00:00",""
"7117414","13.863","0.0004","12.502","0.0004","10.093","0.0004","90","","133.02","0.002","90","","1278.92","0.09","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","hydronium catena(bis(2-cyanido)-tetracyanido-(1,4,8,11-tetraazacyclotetradecane)-nickel(III)-iron(II)) pentahydrate","","- C16 H37 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Beata Nowicka; Mateusz Reczynski; Michal Rams; Wojciech Nitek; Jan Zukrowski; Czeslaw Kapusta; Barbara Sieklucka","Hydration-switchable charge transfer in the first bimetallic assembly based on the [Ni(cyclam)]^3+^ - magnetic CN-bridged chain {(H3O)[Ni^III^(cyclam)][Fe^II^(CN)6]^.^5H2O}n","Chem.Commun.","2015","51","","11485","","10.1039/C5cc02805A","","","0.71073","MoKα","","0.0562","0.0319","","","0.0736","0.0808","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117415","15.6296","0.0003","19.9002","0.0003","30.4007","0.0005","90","","100.5","0.001","90","","9297.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91 H136 N4 Pt2 Sn2 -","- C91 H136 N4 Pt2 Sn2 -","- C364 H544 N16 Pt8 Sn8 -","4","1","","Christian P. Sindlinger; Lars Wesemann","Dimeric platinum-stannylene complexes by twofold ligand transfer from an NHC adduct to an organotin(II) hydride","Chem.Commun.","2015","51","","11421","","10.1039/C5cc03425F","","","0.71073","MoKα","","0.0429","0.0283","","","0.0661","0.0721","","","","","","1.042","","","","has coordinates,has disorder","140003","2020-10-21","18:00:00",""
"7117416","10.9042","0.0002","12.0936","0.0003","15.9712","0.0003","90","","93.73","0.0016","90","","2101.68","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2","2","","- C18 H22 F6 N3 P Pt -","- C18 H22 F6 N3 P Pt -","- C72 H88 F24 N12 P4 Pt4 -","4","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","x-ray","1.54184","CuKα","","0.0407","0.0394","","","0.1235","0.1252","","","","","","1.0341","","","","has coordinates","140004","2020-10-21","18:00:00",""
"7117417","9.141","0.0004","9.5731","0.0004","13.2139","0.0006","108.296","0.004","97.486","0.004","95.712","0.003","1076.33","0.09","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","3","3","","- C19 H22 F6 N3 O P Pt -","- C19 H22 F6 N3 O P Pt -","- C38 H44 F12 N6 O2 P2 Pt2 -","2","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","x-ray","1.54184","CuKα","","0.0227","0.0211","","","0.0723","0.0755","","","","","","0.673","","","","has coordinates","140004","2020-10-21","18:00:00",""
"7117418","10.94969","0.00019","14.36","0.0002","15.746","0.0003","90","","96.7748","0.0017","90","","2458.57","0.07","289.33","0.1","289.33","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","4","4","","- C21 H26 F6 N3 O2 P Pt -","- C21 H26 F6 N3 O2 P Pt -","- C84 H104 F24 N12 O8 P4 Pt4 -","4","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","x-ray","1.54184","CuKα","","0.0286","0.0235","","","0.0761","0.0864","","","","","","0.6773","","","","has coordinates","140004","2020-10-21","18:00:00",""
"7117419","11.1595","0.001","11.6084","0.001","13.5382","0.0014","90","","103.102","0.01","90","","1708.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","7","PtMe3I-4,4'-bis-OMe-bpy","","- C15 H21 I N2 O2 Pt -","- C15 H21 I N2 O2 Pt -","- C60 H84 I4 N8 O8 Pt4 -","4","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","","0.71073","MoKα","","0.0424","0.0365","","","0.1039","0.1119","","","","","","0.7745","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7117420","14.3479","0.0005","9.0481","0.0003","16.1964","0.0011","90","","109.574","0.008","90","","1981.12","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9","9","","- C21 H24 N2 O2 Pt S -","- C21 H24 N2 O2 Pt S -","- C84 H96 N8 O8 Pt4 S4 -","4","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","","0.71075","MoKα","","0.0205","0.0184","","","0.0699","0.0736","","","","","","0.6485","","","","has coordinates","140004","2020-10-21","18:00:00",""
"7117421","7.2201","0.0005","13.2276","0.0009","14.0336","0.001","70.675","0.005","80.551","0.006","84.13","0.006","1245.94","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","10","10","","- C25 H27 N2 O6 Pt S -","- C25 H27 N2 O6 Pt S -","- C50 H54 N4 O12 Pt2 S2 -","2","1","","Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts","Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications","Chem.Commun.","2015","51","","11441","","10.1039/C5cc04003E","","","0.71075","MoKα","","0.0928","0.0804","","","0.1866","0.2041","","","","","","1.1208","","","","has coordinates","140004","2020-10-21","18:00:00",""
"7117422","15.9267","0.0003","15.9267","0.0003","24.086","0.0009","90","","90","","120","","5291.1","0.2","150.01","0.11","150.01","0.11","","","","","","","","4","P 63/m","-P 6c","176","","","","- C118 H143 Mg3 N12 -","- C118.001 H143.002 Mg3 N12 -","- C236.003 H286.003 Mg6 N24 -","2","0.166667","","Jani O. Moilanen; Benjamin M. Day; Thomas Pugh; Richard A. Layfield","Open-shell doublet character in a hexaazatrinaphthylene trianion complex","Chem.Commun.","2015","51","","11478","","10.1039/C5cc04004C","","x-ray","0.71073","MoKα","","0.0687","0.0555","","","0.1473","0.1548","","","","","","1.118","","","","has coordinates,has disorder","140005","2020-10-21","18:00:00",""
"7117423","9.106","0.001","10.58","0.001","15.856","0.001","102.819","0.005","97.906","0.004","112.771","0.005","1330.3","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","2,3,4-trimethoxybenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazinyl hexafluoroantimonate, free radical","","- C22 H19 Cl2 F6 N O3 S2 Sb -","- C22 H19 Cl2 F6 N O3 S2 Sb -","- C44 H38 Cl4 F12 N2 O6 S4 Sb2 -","2","1","","S. Menichetti; S. Cecchi; P. Procacci; M. Innocenti; L. Becucci; L. Franco; C. Viglianisi","Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches","Chem.Commun.","2015","51","","11452","","10.1039/C5cc04007H","","x-ray","1.54184","CuKα","","0.0981","0.0687","","","0.1819","0.2066","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117424","10.641","0.001","14.807","0.001","23.076","0.001","90","","90","","90","","3635.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4-trimethoxybenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazine","","- C21 H17 N O3 S2 -","- C21 H17 N O3 S2 -","- C168 H136 N8 O24 S16 -","8","1","","S. Menichetti; S. Cecchi; P. Procacci; M. Innocenti; L. Becucci; L. Franco; C. Viglianisi","Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches","Chem.Commun.","2015","51","","11452","","10.1039/C5cc04007H","","","1.5418","CuKα","","0.0803","0.044","","","0.0947","0.1131","","","","","","1.049","","","","has coordinates","140006","2020-10-21","18:00:00",""
"7117425","8.543","0.001","15.622","0.001","16.383","0.001","90","","94.989","0.004","90","","2178.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,7,11-trimethylbenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazinyl hexafluoroantimonate, free radical","","- C21 H17 F6 N S2 Sb -","- C21 H17 F6 N S2 Sb -","- C84 H68 F24 N4 S8 Sb4 -","4","1","","S. Menichetti; S. Cecchi; P. Procacci; M. Innocenti; L. Becucci; L. Franco; C. Viglianisi","Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches","Chem.Commun.","2015","51","","11452","","10.1039/C5cc04007H","","x-ray","1.54178","CuKα","","0.1271","0.066","","","0.1684","0.205","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117426","8.624","0.004","15.417","0.007","7.309","0.003","90","","104.681","0.007","90","","940.1","0.7","93","","93","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H22 O Si -","- C24 H22 O Si -","- C48 H44 O2 Si2 -","2","1","","Ryo Shintani; Hiroki Kurata; Kyoko Nozaki","Rhodium-catalyzed intramolecular alkynylsilylation of alkynes","Chem.Commun.","2015","51","","11378","","10.1039/C5cc04172D","","","0.71075","MoKα","","0.043","0.0413","","","0.1064","0.1089","","","","","","1.053","","","","has coordinates","140007","2020-10-21","18:00:00",""
"7117427","13.7235","0.0005","16.6434","0.0006","23.277","0.0008","90","","106.733","0.002","90","","5091.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 Cl Mg N2 O Sb -","- C58 H64 Cl Mg N2 O Sb -","- C232 H256 Cl4 Mg4 N8 O4 Sb4 -","4","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","Accessing heavy allyl-analogous [(TerN)2E]- (E = Sb, Bi) ions and their reactivity towards ECl3","Chem.Commun.","2015","51","","11437","","10.1039/C5cc04355G","","","0.71073","MoKα","","0.0596","0.0368","","","0.0854","0.0975","","","","","","1.014","","","","has coordinates,has disorder","140008","2020-10-21","18:00:00",""
"7117428","13.7359","0.0012","16.6363","0.001","23.257","0.002","90","","106.645","0.003","90","","5091.9","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 Bi Cl Mg N2 O -","- C58 H64 Bi Cl Mg N2 O -","- C232 H256 Bi4 Cl4 Mg4 N8 O4 -","4","1","","Alexander Hinz; Axel Schulz; Alexander Villinger","Accessing heavy allyl-analogous [(TerN)2E]- (E = Sb, Bi) ions and their reactivity towards ECl3","Chem.Commun.","2015","51","","11437","","10.1039/C5cc04355G","","","0.71073","MoKα","","0.0667","0.0377","","","0.0726","0.0818","","","","","","1.014","","","","has coordinates,has disorder","140008","2020-10-21","18:00:00",""
"7117429","14.6206","0.0012","15.5222","0.0012","18.7038","0.0014","90","","90","","90","","4244.7","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Bi Cl2 N2 Sb -","- C48 H50 Bi Cl2 N2 Sb -","- C192 H200 Bi4 Cl8 N8 Sb4 -","4","0.5","","Alexander Hinz; Axel Schulz; Alexander Villinger","Accessing heavy allyl-analogous [(TerN)2E]- (E = Sb, Bi) ions and their reactivity towards ECl3","Chem.Commun.","2015","51","","11437","","10.1039/C5cc04355G","","","0.71073","MoKα","","0.0728","0.0342","","","0.0596","0.0692","","","","","","1.011","","","","has coordinates","140008","2020-10-21","18:00:00",""
"7117435","17.9438","0.0017","6.3301","0.0006","19.758","0.002","90","","113.492","0.003","90","","2058.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0498","0.0386","","","0.098","0.1069","","","","","","1.046","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7117436","18.9282","0.0017","6.0959","0.0005","20.6755","0.0019","90","","116.768","0.005","90","","2130","0.3","106","2","106","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0592","0.0491","","","0.1289","0.1358","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117437","13.4732","0.0005","9.5123","0.0004","19.795","0.0008","90","","109.801","0.002","90","","2386.95","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C104 H88 Cl8 N16 O8 -","8","4","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0734","0.0453","","","0.0813","0.0935","","","","","","0.793","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7117438","20.924","0.005","5.7267","0.0011","23.879","0.006","90","","112.393","0.007","90","","2645.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C112 H112 N16 O8 S8 -","8","1","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0753","0.05","","","0.127","0.1414","","","","","","1.037","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7117439","35.793","0.004","5.7087","0.0006","13.346","0.0011","90","","99.709","0.004","90","","2687.9","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Fe N3 -","- C17 H15 Fe N3 -","- C136 H120 Fe8 N24 -","8","1","","Yadav, Abhimanyu; Verma, Ajay; Patel, Saket; Kumar, Amit; Rathore, Vandana; Meenakshi, ?; Kumar, Shailesh; Kumar, Sangit","KO(t)Bu-mediated annulation of acetonitrile with aldehyde: synthesis of substituted dihydropyridin-2(1H)-ones, pyridin-2(1H)-ones, and thiopyridin-2(1H)-ones.","Chemical communications (Cambridge, England)","2015","51","58","11658","11661","10.1039/c5cc02964c","","x-ray","0.71073","MoKα","","0.0971","0.0421","","","0.1079","0.166","","","","","","1.168","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7117440","7.3977","0.0005","11.6656","0.0007","20.3981","0.0013","76.247","0.003","83.564","0.003","88.301","0.004","1699.07","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CDME","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.","A supramolecular approach for designing emissive solid-state carbazole arrays.","Chemical communications (Cambridge, England)","2015","51","58","11603","11606","10.1039/c5cc03515e","","","1.54178","CuKα","","0.0645","0.0478","","","0.1004","0.109","","","","","","1.048","","","","has coordinates","141476","2020-10-21","18:00:00",""
"7117441","10.148","0.0006","14.9006","0.0008","28.1544","0.0016","90","","92.505","0.003","90","","4253.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","llm2082b","","","- C46.67 H42 Co2 N3.34 O12 -","- C46.672 H42.008 Co2 N3.336 O12 -","- C186.688 H168.032 Co8 N13.344 O48 -","4","1","","Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.","A supramolecular approach for designing emissive solid-state carbazole arrays.","Chemical communications (Cambridge, England)","2015","51","58","11603","11606","10.1039/c5cc03515e","","","1.54178","CuKα","","0.0495","0.0395","","","0.0893","0.0934","","","","","","1.042","","","","has coordinates,has disorder","141476","2020-10-21","18:00:00",""
"7117442","27.7412","0.0011","11.114","0.0005","15.0069","0.0006","90","","102.921","0.002","90","","4509.7","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LLM-1-131B","","","- C25 H20 Cu N2 O5 -","- C25 H20 Cu N2 O5 -","- C200 H160 Cu8 N16 O40 -","8","1","","Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.","A supramolecular approach for designing emissive solid-state carbazole arrays.","Chemical communications (Cambridge, England)","2015","51","58","11603","11606","10.1039/c5cc03515e","","","1.54178","CuKα","","0.0432","0.0405","","","0.1092","0.112","","","","","","1.102","","","","has coordinates,has disorder","141476","2020-10-21","18:00:00",""
"7117443","10.2867","0.0004","17.0328","0.0007","26.8808","0.0011","90","","90","","90","","4709.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZnCbzMOF","","","- C50 H47 N5 O12 Zn2 -","- C50 H47 N5 O12 Zn2 -","- C200 H188 N20 O48 Zn8 -","4","1","","Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.","A supramolecular approach for designing emissive solid-state carbazole arrays.","Chemical communications (Cambridge, England)","2015","51","58","11603","11606","10.1039/c5cc03515e","","","1.54178","CuKα","","0.0201","0.02","","","0.0499","0.05","","","","","","1.088","","","","has coordinates","141476","2020-10-21","18:00:00",""
"7117444","9.8459","0.0005","10.5371","0.001","19.8151","0.0017","94.748","0.005","98.528","0.005","110.714","0.005","1881.2","0.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl N2 O5 Si -","- C39 H37 Cl N2 O5 Si -","- C78 H74 Cl2 N4 O10 Si2 -","2","1","","Kim, Sooyeon; Fujitsuka, Mamoru; Tohnai, Norimitsu; Tachikawa, Takashi; Hisaki, Ichiro; Miyata, Mikiji; Majima, Tetsuro","The unprecedented J-aggregate formation of rhodamine moieties induced by 9-phenylanthracenyl substitution.","Chemical communications (Cambridge, England)","2015","51","58","11580","11583","10.1039/c5cc03969j","","","0.8","synchrotron","","0.1156","0.0958","","","0.3126","0.3422","","","","","","1.446","","","","has coordinates","141477","2020-10-21","18:00:00",""
"7117445","9.0281","0.0007","11.3963","0.001","16.9166","0.0014","109.458","0.007","90.63","0.007","102.206","0.007","1597.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N6 O8 -","- C30 H34 N6 O8 -","- C60 H68 N12 O16 -","2","1","","Li, Yi-Jin; Li, Xue; Zhang, Shao-Xiao; Zhao, Yu-Long; Liu, Qun","Copper(ii)-catalyzed oxidative [3+2] cycloaddition reactions of secondary amines with α-diazo compounds: a facile and efficient synthesis of 1,2,3-triazoles.","Chemical communications (Cambridge, England)","2015","51","58","11564","11567","10.1039/c5cc02092a","","","0.71073","MoKα","","0.1261","0.0726","","","0.1886","0.235","","","","","","1.011","","","","has coordinates","141478","2020-10-21","18:00:00",""
"7117446","8.6642","0.0002","20.3575","0.0003","10.1977","0.0002","90","","115.123","0.003","90","","1628.53","0.07","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Khoobi, Mehdi; Molaverdi, Fatemeh; Jafarpour, Farnaz; Abbasnia, Masoumeh; Kubicki, Maciej; Shafiee, Abbas","A one-pot domino C-H, C-C activation in coumarins: a fast track to 2,3-diaryl benzo[b]furans.","Chemical communications (Cambridge, England)","2015","51","58","11713","11716","10.1039/c5cc01427a","","","0.7107","MoKα","","0.0388","0.0353","","","0.0876","0.0898","","","","","","1.036","","","","has coordinates","141479","2020-10-21","18:00:00",""
"7117447","8.4147","0.00008","11.96874","0.00011","21.5473","0.0002","90","","90","","90","","2170.1","0.04","121","2","121","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","1","","Zhou, Yuhang; Lin, Lili; Yin, Chengkai; Wang, Zhengmeng; Liu, Xiaohua; Feng, Xiaoming","The N,N'-dioxide/Ni(ii)-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of methyleneindolinones with hetero-substituted alkenes.","Chemical communications (Cambridge, England)","2015","51","58","11689","11692","10.1039/c5cc04245c","","x-ray","1.54184","CuKα","","0.0469","0.0461","","","0.1201","0.1213","","","","","","1.05","","","","has coordinates","141480","2020-10-21","18:00:00",""
"7117448","12.502","0.0008","15.8137","0.0009","17.4136","0.001","74.497","0.002","75.487","0.001","76.75","0.002","3162.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 N O Si2 -","- C30 H49 N O Si2 -","- C120 H196 N4 O4 Si8 -","4","2","","Liu, Yan-Hua; Liu, Yue-Jin; Yan, Sheng-Yi; Shi, Bing-Feng","Ni(ii)-catalyzed dehydrative alkynylation of unactivated (hetero)aryl C-H bonds using oxygen: a user-friendly approach.","Chemical communications (Cambridge, England)","2015","51","58","11650","11653","10.1039/c5cc03729h","","","0.71073","MoKα","","0.2309","0.1479","","","0.3813","0.441","","","","","","1.191","","","","has coordinates,has disorder","141481","2020-10-21","18:00:00",""
"7117449","26.589","0.001","17.564","0.001","29.171","0.001","90","","106.352","0.002","90","","13072.1","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Cl0 Cu2 F0 N6 P2 -","- C54 H50 Cu2 N6 P2 -","- C432 H400 Cu16 N48 P16 -","8","1","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71069","MoKα","","0.1636","0.0864","","","0.2221","0.2523","","","","","","0.895","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117450","15.189","0.002","15.957","0.002","23.446","0.002","107.923","0.004","101.304","0.004","104.447","0.004","5001.1","1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C144 H124 B4 Cl0 Cu4 F16 N12 O0 P4 -","- C144 H124 B4 Cu4 F16 N12 P4 -","- C144 H124 B4 Cu4 F16 N12 P4 -","1","0.5","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71069","MoKα","","0.1048","0.0598","","","0.1476","0.1614","","","","","","0.883","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117451","15.705","0.002","17.816","0.002","21.535","0.002","107.871","0.004","104.457","0.004","97.386","0.004","5413.8","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C172 H140 B0 Cl0 Cu4 F0 N12 P4 -","- C172 H140 Cu4 N12 P4 -","- C172 H140 Cu4 N12 P4 -","1","0.5","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71069","MoKα","","0.1413","0.0843","","","0.217","0.2346","","","","","","0.931","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117452","15.582","0.003","17.047","0.002","22.619","0.002","102.262","0.003","104.435","0.003","102.171","0.003","5460.5","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C176 H148 B4 Cl0 Cu4 F16 N12 P4 -","- C176 H148 B4 Cu4 F16 N12 P4 -","- C176 H148 B4 Cu4 F16 N12 P4 -","1","0.5","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71069","MoKα","","0.1014","0.0723","","","0.1874","0.1976","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117453","13.887","0.002","15.375","0.002","18.799","0.002","101.562","0.004","105.589","0.004","101.967","0.004","3639.7","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H128 B4 Cl12 Cu4 F16 N12 P4 -","- C146 H128 B4 Cl12 Cu4 F16 N12 P4 -","- C146 H128 B4 Cl12 Cu4 F16 N12 P4 -","1","0.5","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71069","MoKα","","0.1133","0.0672","","","0.1683","0.1992","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117454","25.7551","0.0014","20.5086","0.0008","24.6987","0.0014","90","","95.409","0.002","90","","12987.8","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C108 H102 B0 Cl0 Cu4 F0 N12 P4 -","- C108 H102 Cu4 N12 P4 -","- C432 H408 Cu16 N48 P16 -","4","0.5","","Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.","Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.","Chemical communications (Cambridge, England)","2015","51","58","11560","11563","10.1039/c5cc03778f","","","0.71073","MoKα","","0.1053","0.066","","","0.1768","0.1932","","","","","","0.9","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117455","9.074","0.002","9.586","0.002","10.271","0.002","105.491","0.004","97.554","0.004","108.975","0.004","790.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-5-oxo-3H,5H-pyrrolo [2,1-a]isoindole-9b-carboxylic acid tert-butylamide","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C34 H40 N4 O4 -","2","1","","García-González, Ma Carmen; Hernández-Vázquez, Eduardo; Gordillo-Cruz, Raúl E; Miranda, Luis D.","Ugi-derived dehydroalanines as a pivotal template in the diversity oriented synthesis of aza-polyheterocycles.","Chemical communications (Cambridge, England)","2015","51","58","11669","11672","10.1039/c5cc02927a","","","0.71073","MoKα","","0.0941","0.0431","","","0.0977","0.111","","","","","","0.828","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117456","9.1496","0.0013","9.3085","0.0013","19.945","0.003","90","","95.325","0.002","90","","1691.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylene-6-oxo-1,2,3,4-tetrahydro-6H-pyrido [2,1-a]isoindole-10b-carboxylic acid tert-butylamide","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","García-González, Ma Carmen; Hernández-Vázquez, Eduardo; Gordillo-Cruz, Raúl E; Miranda, Luis D.","Ugi-derived dehydroalanines as a pivotal template in the diversity oriented synthesis of aza-polyheterocycles.","Chemical communications (Cambridge, England)","2015","51","58","11669","11672","10.1039/c5cc02927a","","","0.71073","MoKα","","0.1136","0.054","","","0.1274","0.1462","","","","","","0.943","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117457","9.2332","0.0015","10.3088","0.0017","10.7141","0.0018","105.017","0.003","100.269","0.003","102.043","0.003","933.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","7-Oxo-5,12-dihydro-7H-isoindolo [2,1-b]isoquinoline-11b-carboxylic acid tert-butylamide","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","García-González, Ma Carmen; Hernández-Vázquez, Eduardo; Gordillo-Cruz, Raúl E; Miranda, Luis D.","Ugi-derived dehydroalanines as a pivotal template in the diversity oriented synthesis of aza-polyheterocycles.","Chemical communications (Cambridge, England)","2015","51","58","11669","11672","10.1039/c5cc02927a","","","0.71073","MoKα","","0.0707","0.0462","","","0.1081","0.118","","","","","","0.922","","","","has coordinates","141483","2020-10-21","18:00:00",""
"7117458","31.1904","0.0016","31.2132","0.0014","51.976","0.003","72.71","0.004","77.555","0.003","60.912","0.003","42068","4","100","2","100","2","","","","","","","","3","P 1","P 1","1","","1,3,5-tris(4-carboxyphenyl)benzene","","- C27 H18 O6 -","- C27 H18 O6 -","- C1512 H1008 O336 -","56","56","","Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C.","High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework.","Chemical communications (Cambridge, England)","2015","51","58","11642","11645","10.1039/c5cc04219d","","","1.54178","CuKα","","0.1237","0.0694","","","0.1612","0.1766","","","","","","0.893","","","","has coordinates,has disorder","141484","2020-10-21","18:00:00",""
"7117459","31.419","0.006","30.116","0.006","45.32","0.009","90","","90.412","0.002","90","","42881","15","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","1,3,5-tris(4-carboxyphenyl)benzene","","- C27 H18 O6 -","- C27 H18 O6 -","- C1512 H1008 O336 -","56","14","","Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C.","High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework.","Chemical communications (Cambridge, England)","2015","51","58","11642","11645","10.1039/c5cc04219d","","","0.71073","MoKα","","0.1331","0.0533","","","0.1112","0.1381","","","","","","0.901","","","","has coordinates","141484","2020-10-21","18:00:00",""
"7117460","5.7682","0.0002","7.7444","0.0003","39.9505","0.0014","90","","90","","90","","1784.64","0.11","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(Naphthalen-2-yl)-2-((2R,4R)-2-pentyl-1,3-dioxan-4-yl)ethanone","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","","Akira Matsumoto; Keisuke Asano; Seijiro Matsubara","A chiral phosphoric acid catalyst for asymmetric construction of 1,3-dioxanes","Chem.Commun.","2015","51","","11693","","10.1039/C5cc04124D","","","1.54187","CuKα","","0.0732","0.0683","","","0.1808","0.1857","","","","","","1.11","","","","has coordinates","142199","2020-10-21","18:00:00",""
"7117463","7.3992","0.0004","9.2492","0.0007","18.3176","0.0011","90","","90","","90","","1253.6","0.14","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","","Su, Wei; Gong, Tian-Jun; Xiao, Bin; Fu, Yao","Rhodium(III)-catalyzed cyanation of vinylic C‒H bonds: N-cyano-N-phenyl-p-toluenesulfonamide as a cyanation reagent","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11848","11851","10.1039/c4cc09790d","","","1.54184","CuKα","","0.0624","0.0457","","","0.1288","0.1672","","","","","","1.065","","","","has coordinates","209765","2020-10-21","18:00:00",""
"7117464","17.973","0.008","7.352","0.003","6.245","0.003","90","","90.646","0.009","90","","825.1","0.6","113","2","113","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 -","- C26 H18 -","- C52 H36 -","2","0.5","","Liu, Jie; Dong, Huanli; Wang, Zongrui; Ji, Deyang; Cheng, Changli; Geng, Hua; Zhang, Hantang; Zhen, Yonggang; Jiang, Lang; Fu, Hongbing; Bo, Zhishan; Chen, Wei; Shuai, Zhigang; Hu, Wenping","Thin film field-effect transistors of 2,6-diphenyl anthracene (DPA)","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11777","11779","10.1039/c4cc10348c","","","0.71073","MoKα","","0.0788","0.0563","","","0.1314","0.1471","","","","","","1.071","","","","has coordinates","210996","2020-10-21","18:00:00",""
"7117465","9.4643","0.0004","19.6586","0.001","31.9809","0.0013","90","","90","","90","","5950.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H88 N12 O12 -","- C48 H88 N12 O12 -","- C192 H352 N48 O48 -","4","1","","Julien Maury; Bryden A. F. Le Bailly; James Raftery; Jonathan Clayden","Conformational cooperativity between helical domains of differing geometry in oligoamide-oligourea foldamer chimeras","Chem.Commun.","2015","51","","11802","","10.1039/C5cc02995C","","","1.54178","CuKα","","0.0666","0.0608","","","0.1841","0.1892","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117466","8.3006","0.0006","9.3862","0.0007","17.717","0.0015","86.352","0.004","87.532","0.004","77.772","0.004","1345.68","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N3 O9 S -","- C27 H27 N3 O9 S -","- C54 H54 N6 O18 S2 -","2","1","","Cong-Shuai Wang; Ren-Yi Zhu; Yu-Chen Zhang; Feng Shi","Catalytic chemoselective [3+3] cycloadditions of azomethine ylides with quinone monoimides leading to the construction of a dihydrobenzoxazine scaffold","Chem.Commun.","2015","51","","11798","","10.1039/C5cc03341A","","","0.71073","MoKα","","0.0938","0.0693","","","0.201","0.2277","","","","","","1.066","","","","has coordinates,has disorder","148150","2020-10-21","18:00:00",""
"7117467","8.4575","0.0002","12.5061","0.0003","13.4396","0.0003","80.3987","0.0013","85.8752","0.0013","78.3825","0.0013","1371.8","0.06","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl2 N3 O7 S -","- C28 H21 Cl2 N3 O7 S -","- C56 H42 Cl4 N6 O14 S2 -","2","1","","Cong-Shuai Wang; Ren-Yi Zhu; Yu-Chen Zhang; Feng Shi","Catalytic chemoselective [3+3] cycloadditions of azomethine ylides with quinone monoimides leading to the construction of a dihydrobenzoxazine scaffold","Chem.Commun.","2015","51","","11798","","10.1039/C5cc03341A","","","0.71073","MoKα","","0.0809","0.0497","","","0.1327","0.1534","","","","","","1.045","","","","has coordinates","148150","2020-10-21","18:00:00",""
"7117468","9.4805","0.0011","15.3417","0.0019","11.8162","0.0014","90","","111.93","0.002","90","","1594.3","0.3","293","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","lcy-Q-103","","- C35 H36 Br N3 O3 S -","- C35 H36 Br N3 O3 S -","- C70 H72 Br2 N6 O6 S2 -","2","1","","Chao-You Liu; Fu-She Han","Organocatalytic asymmetric reaction of indol-2-yl carbinols with enamides: synthesis of chiral 2-indole-substituted 1,1-diarylalkanes","Chem.Commun.","2015","51","","11844","","10.1039/C5cc03345D","","","0.71073","MoKα","","0.0557","0.045","","","0.1073","0.1363","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117469","14.2945","0.0019","19.666","0.003","19.9786","0.0019","90","","134.333","0.006","90","","4017.3","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H10 Al F36 N O4 S -","- C31 H10 Al F36 N O4 S -","- C124 H40 Al4 F144 N4 O16 S4 -","4","1","","Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang","Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures","Chem.Commun.","2015","51","","11822","","10.1039/C5cc03573B","","","0.71073","MoKα","","0.044","0.0369","","","0.1","0.1055","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117470","13.604","0.003","20.135","0.005","16.634","0.004","90","","93.113","0.004","90","","4549.6","1.9","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69.8 H27.6 Al2 Cl3.61 F72 N2 O8 S2 -","- C69.804 H27.608 Al2 Cl3.608 F72 N2 O8 S2 -","- C139.608 H55.216 Al4 Cl7.216 F144 N4 O16 S4 -","2","0.5","","Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang","Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures","Chem.Commun.","2015","51","","11822","","10.1039/C5cc03573B","","","0.71073","MoKα","","0.1709","0.1031","","","0.2636","0.2887","","","","","","1.405","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117471","10.415","0.0007","15.3696","0.0011","28.611","0.002","90","","93.362","0.001","90","","4572","0.6","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71.56 H27.11 Al2 Cl3.11 F72 N2 O8 S2 -","- C71.562 H27.108 Al2 Cl3.108 F72.018 N2 O8.002 S2 -","- C143.124 H54.216 Al4 Cl6.216 F144.036 N4 O16.004 S4 -","2","0.5","","Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang","Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures","Chem.Commun.","2015","51","","11822","","10.1039/C5cc03573B","","","0.71073","MoKα","","0.0694","0.0536","","","0.1479","0.1603","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117472","27.656","0.003","11.298","0.001","25.57","0.002","90","","94.846","0.002","90","","7961","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H24 Al2 F72 N2 O8 -","- C62 H24 Al2 F72 N2 O8 -","- C248 H96 Al8 F288 N8 O32 -","4","1","","Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang","Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures","Chem.Commun.","2015","51","","11822","","10.1039/C5cc03573B","","","0.71073","MoKα","","0.104","0.0503","","","0.0995","0.1196","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117473","13.4049","0.0009","15.2317","0.0009","22.79","0.002","99.348","0.006","98.546","0.006","99.455","0.005","4455","0.6","200","2","200","","","","","","","","","9","P -1","-P 1","2","","","","- C96 H109 Cl Li N4 O6 P4 Pd Y -","- C96 H109 Cl Li N4 O6 P4 Pd Y -","- C192 H218 Cl2 Li2 N8 O12 P8 Pd2 Y2 -","2","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.1024","0.0536","","","0.0996","0.1122","","","","","","0.892","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117474","13.559","0.003","28.87","0.006","22.627","0.005","90","","90.84","0.03","90","","8856","3","200","2","200","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C96 H109 Cl Li Lu N4 O6 P4 Pd -","- C96 H109 Cl Li Lu N4 O6 P4 Pd -","- C384 H436 Cl4 Li4 Lu4 N16 O24 P16 Pd4 -","4","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.1967","0.0579","","","0.0859","0.1194","","","","","","0.807","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117475","13.332","0.003","15.349","0.003","21.771","0.004","88.53","0.03","80.9","0.03","83.96","0.03","4374.4","1.6","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C96 H109 Cl Li Lu N4 O6 P4 Pd -","- C96 H109 Cl Li Lu N4 O6 P4 Pd -","- C192 H218 Cl2 Li2 Lu2 N8 O12 P8 Pd2 -","2","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.0422","0.0358","","","0.0933","0.096","","","","","","1.046","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117476","13.414","0.003","15.386","0.003","22.048","0.004","88.38","0.03","80.4","0.03","84.17","0.03","4463.2","1.6","200","2","200","","","","","","","","","9","P -1","-P 1","2","","","","- C94.4 H105.8 Cl Li Lu N4 O5.6 P4 Pd -","- C94.4 H105.8 Cl Li Lu N4 O5.6 P4 Pd -","- C188.8 H211.6 Cl2 Li2 Lu2 N8 O11.2 P8 Pd2 -","2","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.226","0.0855","","","0.11","0.1476","","","","","","0.831","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117477","28.427","0.006","14.576","0.003","29.04","0.006","90","","106.14","0.03","90","","11559","5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H124 Li N6 O4 P6 Pd2 Y -","- C124 H124 Li N6 O4 P6 Pd2 Y -","- C496 H496 Li4 N24 O16 P24 Pd8 Y4 -","4","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.154","0.0752","","","0.1614","0.1939","","","","","","0.957","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117478","28.3174","0.0004","14.561","0.0002","29.0288","0.0005","90","","105.984","0.001","90","","11506.7","0.3","200","","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H124 Li Lu N6 O4 P6 Pd2 -","- C124 H124 Li Lu N6 O4 P6 Pd2 -","- C496 H496 Li4 Lu4 N24 O16 P24 Pd8 -","4","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.0682","0.052","","","0.1509","0.1606","","","","","","1.043","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117479","14.911","0.003","24.635","0.005","26.155","0.005","90","","104.1","0.03","90","","9318","3","200","2","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H116 Li N4 O7 P4 Y -","- C100 H116 Li N4 O7 P4 Y -","- C400 H464 Li4 N16 O28 P16 Y4 -","4","1","","Franziska Volcker; Felix M. Muck; Konstantinos D. Vogiatzis; Karin Fink; Peter W. Roesky","Bi- and trimetallic rare-earth-palladium complexes ligated by phosphinoamides","Chem.Commun.","2015","51","","11761","","10.1039/C5cc03944d","","","0.71073","MoKα","","0.1522","0.0831","","","0.1728","0.2011","","","","","","1.015","","","","has coordinates,has disorder","148155","2020-10-21","18:00:00",""
"7117480","9.5686","0.0002","10.0906","0.0002","15.5541","0.0003","90","","97.1528","0.0008","90","","1490.11","0.05","150","","150","","","","","","","","SYN","3","P 1 21/n 1","-P 2yn","14","","Pn*TiMe2","","- C16 H24 Ti -","- C16 H24 Ti -","- C64 H96 Ti4 -","4","1","","Robert T. Cooper; F. Mark Chadwick; Andrew E. Ashley; Dermot O'Hare","Double CO2 activation by 14-electron eta^8^-permethylpentalene titanium dialkyl complexes","Chem.Commun.","2015","51","","11856","","10.1039/C5cc04094A","","","0.71073","MoKα","","0.045","0.0388","","0.1053","0.0986","0.1053","","","","","","0.9201","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117481","9.4641","0.0002","10.4852","0.0002","13.112","0.0003","72.5421","0.001","79.0295","0.001","64.7729","0.0011","1119.89","0.04","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","Pn*TiBz2","","- C28 H32 Ti -","- C28 H32 Ti -","- C56 H64 Ti2 -","2","1","","Robert T. Cooper; F. Mark Chadwick; Andrew E. Ashley; Dermot O'Hare","Double CO2 activation by 14-electron eta^8^-permethylpentalene titanium dialkyl complexes","Chem.Commun.","2015","51","","11856","","10.1039/C5cc04094A","","","0.71073","MoKα","","0.0647","0.0415","","0.1186","0.0939","0.1186","","","","","","0.8911","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117482","8.0338","0.0002","9.4658","0.0002","11.9668","0.0003","78.479","0.0011","88.7238","0.0011","75.3323","0.0012","862.25","0.04","150","","150","","","","","","","","SYN","4","P -1","-P 1","2","","Pn*Ti(O2CMe)2","","- C18 H24 O4 Ti -","- C18 H24 O4 Ti -","- C36 H48 O8 Ti2 -","2","1","","Robert T. Cooper; F. Mark Chadwick; Andrew E. Ashley; Dermot O'Hare","Double CO2 activation by 14-electron eta^8^-permethylpentalene titanium dialkyl complexes","Chem.Commun.","2015","51","","11856","","10.1039/C5cc04094A","","","0.71073","MoKα","","0.0485","0.0428","","0.1122","0.107","0.1122","","","","","","0.9397","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117483","34.424","0.0006","8.8424","0.0002","19.0704","0.0004","90","","119.263","0.0009","90","","5064.08","0.18","150","","150","","","","","","","","SYN","4","C 1 2/c 1","-C 2yc","15","","Pn*Ti(O2CBz)2","","- C30 H32 O4 Ti -","- C30 H32 O4 Ti -","- C240 H256 O32 Ti8 -","8","1","","Robert T. Cooper; F. Mark Chadwick; Andrew E. Ashley; Dermot O'Hare","Double CO2 activation by 14-electron eta^8^-permethylpentalene titanium dialkyl complexes","Chem.Commun.","2015","51","","11856","","10.1039/C5cc04094A","","","0.71073","MoKα","","0.057","0.042","","0.1143","0.1005","0.1143","","","","","","0.8969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117484","8.934","0.0012","11.3774","0.001","17.883","0.002","78.587","0.009","78.363","0.011","70.115","0.01","1657.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N5 Nb O13 -","- C34 H30 N5 Nb O13 -","- C68 H60 N10 Nb2 O26 -","2","1","","Willian X. C. Oliveira; Cynthia L. M. Pereira; Carlos B. Pinheiro; Joan Cano; Francesc Lloret; Miguel Julve","Relatively strong intramolecular antiferromagnetic coupling in a neutral CrIII2NbV2 heterobimetallic molecular square","Chem.Commun.","2015","51","","11806","","10.1039/C5cc04285B","","","0.71073","MoKα","","0.0706","0.0447","","","0.0985","0.1086","","","","","","1.048","","","","has coordinates","148159","2020-10-21","18:00:00",""
"7117485","11.4285","0.0007","12.1741","0.0009","12.185","0.001","98.122","0.006","116.838","0.007","94.962","0.005","1475.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H60 Cr2 Nb2 O30 S10 -","- C27.952 H59.856 Cr2 Nb2 O30 S9.976 -","- C27.952 H59.856 Cr2 Nb2 O30 S9.976 -","1","0.5","","Willian X. C. Oliveira; Cynthia L. M. Pereira; Carlos B. Pinheiro; Joan Cano; Francesc Lloret; Miguel Julve","Relatively strong intramolecular antiferromagnetic coupling in a neutral CrIII2NbV2 heterobimetallic molecular square","Chem.Commun.","2015","51","","11806","","10.1039/C5cc04285B","","","0.71073","MoKα","","0.0765","0.0538","","","0.1363","0.1532","","","","","","1.041","","","","has coordinates,has disorder","148159","2020-10-21","18:00:00",""
"7117486","21.82156","0.00006","21.82156","0.00006","21.82156","0.00006","90","","90","","90","","10391","0.05","100","0.1","100","0.1","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C76 H92 Cu4 N8 S -","- C76 H92 Cu4 N8 S -","- C456 H552 Cu24 N48 S6 -","6","0.25","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Mankad, Neal P.","A Cu4S model for the nitrous oxide reductase active sites supported only by nitrogen ligands","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11860","11863","10.1039/c5cc04675k","","x-ray","1.54184","CuKα","","0.0253","0.0245","","","0.0674","0.0684","","","","","","1.119","","","","has coordinates,has disorder","210995","2020-10-21","18:00:00",""
"7117508","17.0546","0.0009","5.5978","0.0002","16.1901","0.0006","90","","105.328","0.004","90","","1490.66","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O0 -","- C20 H17 N3 -","- C80 H68 N12 -","4","1","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","1.54184","CuKα","","0.0927","0.0583","","","0.1492","0.1897","","","","","","1.07","","","","has coordinates","152082","2020-10-21","18:00:00",""
"7117509","13.1017","0.001","20.7038","0.0019","7.3429","0.0006","90","","105.921","0.009","90","","1915.4","0.3","298","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 -","- C26 H21 N3 -","- C104 H84 N12 -","4","1","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","0.71073","MoKα","","0.0771","0.0507","","","0.119","0.1328","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117510","21.214","0.003","8.2654","0.0011","27.017","0.004","90","","90","","90","","4737.2","1.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C240 H216 N24 O24 -","8","2","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","0.71073","MoKα","","0.0646","0.0534","","","0.1193","0.1249","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117511","14.8372","0.0017","26.503","0.003","18.224","0.002","90","","96.42","0.011","90","","7121.3","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H39 N3 O3 S0 -","- C48 H39 N3 O3 -","- C384 H312 N24 O24 -","8","1","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","0.71073","MoKα","","0.0996","0.0531","","","0.1053","0.1239","","","","","","1.011","","","","has coordinates","152082","2020-10-21","18:00:00",""
"7117512","9.0822","0.0011","14.3844","0.0018","7.6234","0.001","90","","92.165","0.002","90","","995.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","R. N. Prasad Tulichala; K. C. Kumara Swamy","Palladium-catalysed decarboxylative nitrile insertion via C-H activation or self-coupling of indole-2-carboxylic acids: a new route to indolocarbolines and triindoles","Chem.Commun.","2015","51","","12008","","10.1039/C5cc03160e","","","0.71073","MoKα","","0.0549","0.0458","","","0.1265","0.1329","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117513","11.066","0.008","13.248","0.004","14.418","0.005","114.692","0.005","103.244","0.007","94.149","0.007","1835.3","1.6","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H38 B20 -","- C32 H38 B20 -","- C64 H76 B40 -","2","1","","Jixi Guo; Danqing Liu; Jiahui Zhang; Jiji Zhang; Qian Miao; Zuowei Xie","o-Carborane functionalized pentacenes: synthesis, molecular packing and ambipolar organic thin-film transistors","Chem.Commun.","2015","51","","12004","","10.1039/C5cc03608A","","","0.71073","MoKα","","0.1922","0.0739","","","0.1685","0.2199","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117514","20.184","0.003","14.426","0.002","14.526","0.002","90","","118.624","0.003","90","","3712.7","0.9","130","","130","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 B20 -","- C34 H42 B20 -","- C136 H168 B80 -","4","0.5","","Jixi Guo; Danqing Liu; Jiahui Zhang; Jiji Zhang; Qian Miao; Zuowei Xie","o-Carborane functionalized pentacenes: synthesis, molecular packing and ambipolar organic thin-film transistors","Chem.Commun.","2015","51","","12004","","10.1039/C5cc03608A","","","0.71073","MoKα","","0.1233","0.0577","","","0.1392","0.1724","","","","","","0.99","","","","has coordinates","152083","2020-10-21","18:00:00",""
"7117515","6.7399","0.0011","9.6832","0.0016","30.293","0.005","90","","93.691","0.004","90","","1972.9","0.6","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 B20 -","- C38 H50 B20 -","- C76 H100 B40 -","2","0.5","","Jixi Guo; Danqing Liu; Jiahui Zhang; Jiji Zhang; Qian Miao; Zuowei Xie","o-Carborane functionalized pentacenes: synthesis, molecular packing and ambipolar organic thin-film transistors","Chem.Commun.","2015","51","","12004","","10.1039/C5cc03608A","","","0.71073","MoKα","","0.1577","0.1091","","","0.3067","0.3423","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117516","10.913","0.003","16.97","0.004","17.246","0.004","90","","100.936","0.003","90","","3135.8","1.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H21 O3 P S -","- C42 H21 O3 P S -","- C168 H84 O12 P4 S4 -","4","2","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.065","0.0501","","","0.1017","0.1086","","","","","","1.032","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117517","30.262","0.014","51.48","0.02","4.0818","0.0019","90","","90","","90","","6359","5","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H21 O3 P -","- C42 H21 O3 P -","- C336 H168 O24 P8 -","8","2","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.1426","0.0901","","","0.1675","0.1854","","","","","","1.084","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117518","14.036","0.005","16.26","0.006","16.551","0.006","90","","109.896","0.003","90","","3552","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H22 Cl3 O3 P S -","- C43 H22 Cl3 O3 P S -","- C172 H88 Cl12 O12 P4 S4 -","4","1","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.1488","0.0924","","","0.1826","0.2138","","","","","","0.987","","","","has coordinates,has disorder","152084","2020-10-21","18:00:00",""
"7117519","20.785","0.007","20.785","0.007","4.1189","0.0015","90","","90","","120","","1541","0.9","120","2","120","2","","","","","","","","4","P -3","-P 3","147","","","","- C42 H23 O4 P -","- C42 H21 O4 P -","- C84 H42 O8 P2 -","2","0.333333","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.0615","0.0527","","","0.133","0.1383","","","","","","1.047","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117520","19.058","0.012","19.058","0.012","20.787","0.014","90","","90","","120","","6538","7","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C144 H42 O6 P2 -","- C144 H42 O6 P2 -","- C432 H126 O18 P6 -","3","0.166667","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.1077","0.0499","","","0.1117","0.1401","","","","","","1.023","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117521","31.8128","0.0015","31.8128","0.0015","16.4343","0.0009","90","","90","","90","","16632.4","1.4","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C231 H87 Cl9 O12 P4 S4 -","- C231 H87 Cl9 O12 P4 S4 -","- C924 H348 Cl36 O48 P16 S16 -","4","1","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.2095","0.122","","","0.2623","0.2979","","","","","","1.19","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7117522","12.0755","0.0007","12.3189","0.0006","12.3197","0.0006","106.538","0.004","97.085","0.005","107.693","0.005","1628.94","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C6BPC-CB6","","- C54 H56 N26 O16 -","- C54 H56 N26 O16 -","- C54 H56 N26 O16 -","1","0.5","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","1.54184","CuKα","","0.0565","0.0492","","","0.1225","0.1263","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117523","12.5869","0.0004","16.1378","0.0008","17.8631","0.0007","87.78","0.004","89.749","0.003","67.888","0.004","3358.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C6BPCA-CB6-NO3","","- C54 H52 N28 O22 -","- C54 H52 N28 O22 -","- C108 H104 N56 O44 -","2","1","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","1.54184","CuKα","","0.2878","0.2422","","","0.5971","0.6357","","","","","","2.24","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7117524","15.4905","0.0004","15.7934","0.0005","16.7184","0.0006","68.423","0.003","89.602","0.003","83.048","0.003","3772.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","u1","","- C54 H56 N26 O22 S U -","- C54 H56 N26 O22 S U -","- C108 H112 N52 O44 S2 U2 -","2","1","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","1.54184","CuKα","","0.0378","0.0354","","","0.0985","0.1004","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117525","12.6611","0.0004","15.3936","0.0006","17.0052","0.0007","90.039","0.003","97.817","0.003","91.364","0.003","3282.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","u2","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","0.71073","MoKα","","0.1763","0.1536","","","0.3816","0.4181","","","","","","1.768","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117526","12.6458","0.0003","15.6109","0.0003","17.1344","0.0005","89.597","0.002","82.238","0.002","84.826","0.002","3337.85","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","u3","","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","- C108 H112 Br2 N52 O34 U -","1","0.5","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","1.54184","CuKα","","0.0484","0.0484","","","0.1329","0.1329","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117527","13.333","0.003","26.409","0.005","26.515","0.005","81.73","0.03","84.73","0.03","84.24","0.03","9164","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","u4","","- C120 H136 Br2 N60 O46 U2 -","- C120 H136 Br2 N60 O46 U2 -","- C240 H272 Br4 N120 O92 U4 -","2","1","","Lei Mei; Lin Wang; Li-yong Yuan; Shu-wen An; Yu-liang Zhao; Zhi-fang Chai; Peter C. Burns; Wei-qun Shi","Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks","Chem.Commun.","2015","51","","11990","","10.1039/C5cc04409J","","","0.71073","MoKα","","0.0798","0.0726","","","0.196","0.2023","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117528","9","0.0018","19.58","0.004","23.93","0.005","77.99","0.03","83.67","0.03","89.86","0.03","4098.6","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4CzIPN","(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Shipan Wang; Yuewei Zhang; Weiping Chen; Jinbei Wei; Yu Liu; Yue Wang","Achieving high power efficiency and low roll-off OLEDs based on energy transfer from thermally activated delayed excitons to fluorescent dopants","Chem.Commun.","2015","51","","11972","","10.1039/C5cc04469C","","","0.71073","MoKα","","0.1691","0.072","","","0.1603","0.2145","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117529","17.678","0.004","9.856","0.0019","20.882","0.004","90","","103.673","0.003","90","","3535.3","1.3","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O4 S -","- C26 H24 Br N O4 S -","- C156 H144 Br6 N6 O24 S6 -","6","3","","Zhong-Hua Gao; Xiang-Yu Chen; Han-Ming Zhang; Song Ye","N-Heterocyclic carbene-catalyzed [3+3] cyclocondensation of bromoenals with aldimines: highly enantioselective synthesis of dihydropyridinones","Chem.Commun.","2015","51","","12040","","10.1039/C5cc04593B","","","0.71073","MoKα","","0.0795","0.0616","","","0.0964","0.1038","","","","","","1.113","","","","has coordinates","152087","2020-10-21","18:00:00",""
"7117530","9.583","0.0007","9.8654","0.0007","14.2517","0.001","104.643","0.004","95.718","0.003","114.866","0.004","1149.74","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Cl N O5 Pt S -","- C23 H26 Cl N O5 Pt S -","- C46 H52 Cl2 N2 O10 Pt2 S2 -","2","1","","Oliver J. Stacey; Angelo J. Amoroso; James A. Platts; Peter N. Horton; Simon J. Coles; David Lloyd; Catrin F. Williams; Anthony J. Hayes; Jay J. Dunsford; Simon J. A. Pope","Water soluble, cyclometalated Pt(II)-Ln(III) conjugates towards novel bimodal imaging agents","Chem.Commun.","2015","51","","12305","","10.1039/C5cc02623G","","","0.71075","MoKα","","0.0245","0.0237","","","0.0619","0.0623","","","","","","1.061","","","","has coordinates","152128","2020-10-21","18:00:00",""
"7117531","12.132","0.003","6.7332","0.0017","8.752","0.002","90","","91.331","0.004","90","","714.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-chloro-3-methoxy-1H-pyrrole-2-aldehyde","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C24 H24 Cl4 N4 O8 -","4","1","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","0.71073","MoKα","","0.0543","0.052","","","0.127","0.1286","","","","","","1.233","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117532","6.037","0.002","8.101","0.003","9.222","0.003","70.622","0.005","74.48","0.005","85.612","0.005","409.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","pyrrole","3-chloro-5-formyl-4-methoxy-1H-pyrrole-2-nitrile","","- C7 H5 Cl N2 O2 -","- C7 H5 Cl N2 O2 -","- C14 H10 Cl2 N4 O4 -","2","1","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","0.71073","MoKα","","0.0741","0.0714","","","0.1596","0.161","","","","","","1.367","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117533","4.4859","0.0008","20.457","0.004","14.7","0.003","90","","97.6","0.003","90","","1337.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bipyrrole","4,4'-dichloro-3,3'-dimethoxy-1H,1'H-[2,2'-bipyrrole]-5,5'-dialdehyde","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C48 H40 Cl8 N8 O16 -","4","1","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","0.71073","MoKα","","0.1538","0.1507","","","0.2654","0.2669","","","","","","1.507","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117534","3.9469","0.0002","27.0301","0.0015","10.9065","0.0005","90","","98.544","0.005","90","","1150.65","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","porphycene","2,7,12,17-tetrachloro-3,6,13,16-tetramethoxy-porphycene","","- C24 H18 Cl4 N4 O4 -","- C24 H18 Cl4 N4 O4 -","- C48 H36 Cl8 N8 O8 -","2","0.5","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","1.54184","CuKα","","0.0976","0.0744","","","0.2148","0.2799","","","","","","1.132","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117535","4.1263","0.0003","23.8718","0.0019","11.9867","0.0006","90","","98.803","0.005","90","","1166.81","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","porphycene","3,6,13,16-tetrachloro-2,7,12,17-tetramethoxy-porphycene","","- C24 H18 Cl4 N4 O4 -","- C24 H18 Cl4 N4 O4 -","- C48 H36 Cl8 N8 O8 -","2","0.5","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","1.54184","CuKα","","0.1165","0.0781","","","0.2125","0.2632","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117536","14.0391","0.0019","14.1663","0.0013","15.99","0.002","90","","113.95","0.016","90","","2906.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","porphycene","","","- C29 H21 Cl4 N5 O4 Zn -","- C29 H21 Cl4 N5 O4 Zn -","- C116 H84 Cl16 N20 O16 Zn4 -","4","1","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","0.71073","MoKα","","0.1462","0.0672","","","0.076","0.1038","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117537","10.7037","0.0005","17.9473","0.0009","15.8353","0.0007","90","","106.927","0.005","90","","2910.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","porphycene","","","- C29 H21 Cl4 N5 O4 Zn -","- C29 H21 Cl4 N5 O4 Zn -","- C116 H84 Cl16 N20 O16 Zn4 -","4","1","","Anup Rana; Pradeepta K. Panda","Beta-Tetrachlorotetramethoxyporphycenes: positional effect of substituents on structure and photophysical properties","Chem.Commun.","2015","51","","12239","","10.1039/C5cc03867G","","","1.54184","CuKα","","0.0782","0.0535","","","0.1401","0.1617","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117538","7.0904","0.0005","32.27","0.002","7.2698","0.0005","90","","117.997","0.002","90","","1468.72","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ba2 F8 N2 O11 -","- C26 H18 Ba2 F8 N2 O11 -","- C52 H36 Ba4 F16 N4 O22 -","2","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0477","0.036","","","0.0814","0.0867","","","","","","1.037","","","","has coordinates,has disorder","152130","2020-10-21","18:00:00",""
"7117539","12.5647","0.0009","7.1406","0.0005","19.823","0.0014","90","","101.663","0.002","90","","1741.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H2 Ba2 F8 O9 -","- C16 H2 Ba2 F8 O9 -","- C64 H8 Ba8 F32 O36 -","4","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0259","0.0222","","","0.0536","0.0554","","","","","","1.043","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117540","4.4398","0.0003","23.038","0.0018","14.3878","0.0009","90","","96.661","0.006","90","","1461.71","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Ca F4 N2 O7 -","- C13 H6 Ca F4 N2 O7 -","- C52 H24 Ca4 F16 N8 O28 -","4","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71073","MoKα","","0.1085","0.0594","","","0.1281","0.1623","","","","","","1.095","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117541","14.2384","0.001","16.3862","0.0011","6.845","0.0005","90","","90","","90","","1597.03","0.19","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H8 Ca F4 N2 O8 -","- C13 H8 Ca F4 N2 O8 -","- C52 H32 Ca4 F16 N8 O32 -","4","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0366","0.0354","","","0.0913","0.0923","","","","","","1.042","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117542","9.3605","0.0007","9.6918","0.0007","11.0752","0.0007","90","","108.566","0.005","90","","952.45","0.12","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 Cs F4 O4 -","- C8 Cs F4 O4 -","- C32 Cs4 F16 O16 -","4","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0214","0.0214","","","0.0559","0.0559","","","","","","1.097","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117543","9.2821","0.0007","9.7189","0.0007","10.9837","0.0008","90","","110.34","0.005","90","","929.08","0.12","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 F4 O4 Rb -","- C8 F4 O4 Rb -","- C32 F16 O16 Rb4 -","4","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0837","0.0802","","","0.185","0.19","","","","","","1.098","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117544","6.1469","0.0004","7.0452","0.0005","16.1438","0.0011","94.495","0.016","96.741","0.016","101.639","0.017","676.26","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 F4 N O6 Sr -","- C11 H10 F4 N O6 Sr -","- C22 H20 F8 N2 O12 Sr2 -","2","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71073","MoKα","","0.1912","0.1003","","","0.1915","0.2308","","","","","","0.989","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117545","32.076","0.003","6.1638","0.0003","11.5618","0.0007","90","","97.569","0.007","90","","2266","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H20 F16 N2 O20 Sr3 -","- C42 H20 F16 N2 O20 Sr3 -","- C84 H40 F32 N4 O40 Sr6 -","2","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71073","MoKα","","0.0906","0.0838","","","0.213","0.219","","","","","","1.16","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117546","14.2686","0.001","16.7326","0.0011","7.0181","0.0005","90","","90","","90","","1675.6","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H8 F4 N2 O8 Sr -","- C13 H8 F4 N2 O8 Sr -","- C52 H32 F16 N8 O32 Sr4 -","4","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0377","0.0372","","","0.1031","0.1038","","","","","","1.03","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117547","8.8263","0.0007","8.9293","0.0007","10.863","0.0009","92.612","0.016","93.939","0.017","100.991","0.018","836.95","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H15 F4 N O9 Sr -","- C11 H15 F4 N O9 Sr -","- C22 H30 F8 N2 O18 Sr2 -","2","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.1114","0.0858","","","0.2044","0.2221","","","","","","1.009","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117548","7.3008","0.0005","9.1264","0.0005","13.1904","0.0009","101.118","0.006","93.83","0.005","110.526","0.006","798.95","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 F4 N2 O8 Sr -","- C13 H8 F4 N2 O8 Sr -","- C26 H16 F8 N4 O16 Sr2 -","2","1","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0605","0.0574","","","0.1482","0.1525","","","","","","1.036","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117549","3.9761","0.0002","20.6573","0.0011","9.8948","0.0006","90","","96.5712","0.0018","90","","807.38","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 O4 S8 -","- C40 H20 O4 S8 -","- C40 H20 O4 S8 -","1","0.25","","Jie Liu; Jieshun Cui; Filipe Vilela; Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","In situ production of silver nanoparticles on an aldehyde-equipped conjugated porous polymer and subsequent heterogeneous reduction of aromatic nitro groups at room temperature","Chem.Commun.","2015","51","","12197","","10.1039/C5cc04476F","","","0.71073","MoKα","","0.0399","0.0341","","","0.0827","0.0856","","","","","","1.093","","","","has coordinates","152131","2020-10-21","18:00:00",""
"7117550","24.2051","0.0003","8.9799","0.0002","17.2946","0.0003","90","","101.412","0.001","90","","3684.82","0.11","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 N2 O3 P S2 -","- C15 H25 N2 O3 P S2 -","- C120 H200 N16 O24 P8 S16 -","8","1","","Alexander, Benjamin E.; Coles, Simon J.; Fox, Bridget C.; Khan, Tahmina F.; Maliszewski, Joseph; Perry, Alexis; Pitak, Mateusz B.; Whiteman, Matthew; Wood, Mark E.","Investigating the generation of hydrogen sulfide from the phosphonamidodithioate slow-release donor GYY4137","Med. Chem. Commun.","2015","6","9","1649","","10.1039/C5MD00170F","","","0.71073","MoKα","","0.0386","0.0329","","","0.0761","0.0804","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117551","10.0721","0.0007","16.7628","0.0011","17.7945","0.0012","90.852","0.002","99.861","0.002","101.175","0.002","2900.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H132 Al18 Ga2 O110.5 S8 -","- C40 H132 Al18 Ga2 O110.5 S8 -","- C40 H132 Al18 Ga2 O110.5 S8 -","1","0.5","","Fairley, M.; Corum, K. W.; Johns, A.; Unruh, D. K.; Basile, M.; de Groot, J.; Mason, S. E.; Forbes, T. Z.","Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12](8+) cluster: cationic variations on the Wells-Dawson topology.","Chemical communications (Cambridge, England)","2015","51","62","12467","12469","10.1039/c5cc03069b","","","0.71073","MoKα","","0.0757","0.0462","","","0.1134","0.1298","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117552","7.169","0.002","6.8769","0.0019","7.474","0.002","90","","105.675","0.003","90","","354.77","0.17","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H8 B F3 N2 -","- C5 H8 B F3 N2 -","- C10 H16 B2 F6 N4 -","2","0.5","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.0443","0.0345","","","0.0864","0.092","","","","","","1.056","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117553","7.4533","0.0005","9.5695","0.0006","11.8645","0.0008","90","","105.049","0.001","90","","817.21","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 B F3 N3 O2 -","- C5 H7 B F3 N3 O2 -","- C20 H28 B4 F12 N12 O8 -","4","1","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.0399","0.0371","","","0.1057","0.1085","","","","","","1.066","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117554","7.5804","0.0012","7.9279","0.0013","18.431","0.003","90","","90","","90","","1107.6","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 B F3 N3 O2 -","- C9 H9 B F3 N3 O2 -","- C36 H36 B4 F12 N12 O8 -","4","1","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.11","0.1079","","","0.2751","0.2763","","","","","","1.099","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117555","6.515","0.0005","27.407","0.002","16.8094","0.0014","90","","97.149","0.002","90","","2978.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 N4 O P4 -","- C64 H66 Cl2 N4 O P4 -","- C128 H132 Cl4 N8 O2 P8 -","2","0.5","","Iglesias, Manuel; Iturmendi, Amaia; Sanz Miguel, Pablo J.; Polo, Victor; Pérez-Torrente, Jesús J; Oro, Luis A.","Tuning PCP-Ir complexes: the impact of an N-heterocyclic olefin.","Chemical communications (Cambridge, England)","2015","51","62","12431","12434","10.1039/c5cc04287a","","","0.71073","MoKα","","0.094","0.0543","","","0.1453","0.1679","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117556","17.973","0.002","11.5843","0.0014","19.988","0.002","90","","99.642","0.002","90","","4102.8","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl2 F6 Ir N2 P3 -","- C41 H46 Cl2 F6 Ir N2 P3 -","- C164 H184 Cl8 F24 Ir4 N8 P12 -","4","1","","Iglesias, Manuel; Iturmendi, Amaia; Sanz Miguel, Pablo J.; Polo, Victor; Pérez-Torrente, Jesús J; Oro, Luis A.","Tuning PCP-Ir complexes: the impact of an N-heterocyclic olefin.","Chemical communications (Cambridge, England)","2015","51","62","12431","12434","10.1039/c5cc04287a","","","0.71073","MoKα","","0.0589","0.0317","","","0.0658","0.0732","","","","","","0.933","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117557","11.5979","0.0006","18.5435","0.001","20.1876","0.0011","90","","104","0.001","90","","4212.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl6 F6 Ir N2 O P3 -","- C36 H40 Cl6 F6 Ir N2 O P3 -","- C144 H160 Cl24 F24 Ir4 N8 O4 P12 -","4","1","","Iglesias, Manuel; Iturmendi, Amaia; Sanz Miguel, Pablo J.; Polo, Victor; Pérez-Torrente, Jesús J; Oro, Luis A.","Tuning PCP-Ir complexes: the impact of an N-heterocyclic olefin.","Chemical communications (Cambridge, England)","2015","51","62","12431","12434","10.1039/c5cc04287a","","","0.71073","MoKα","","0.1067","0.0653","","","0.1421","0.1575","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117558","11.1103","0.0004","19.8612","0.0007","8.6893","0.0003","90","","119.104","0.0015","90","","1675.31","0.11","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H14 Br F2 N -","- C21 H14 Br F2 N -","- C84 H56 Br4 F8 N4 -","4","1","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.0425","0.0329","","","0.0635","0.0666","","","","","","1.011","","","","has coordinates","152966","2020-10-21","18:00:00",""
"7117559","8.758","0.0007","9.0189","0.0007","12.1251","0.0009","77.13","0.004","80.995","0.004","74.079","0.005","893.19","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 F2 N -","- C22 H17 F2 N -","- C44 H34 F4 N2 -","2","1","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.1136","0.0482","","","0.1139","0.1626","","","","","","1.049","","","","has coordinates","152966","2020-10-21","18:00:00",""
"7117560","9.84","0.0009","13.6565","0.0013","15.873","0.0016","102.909","0.006","93.588","0.006","95.664","0.006","2061.1","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 Br3 N -","- C24 H16 Br3 N -","- C96 H64 Br12 N4 -","4","2","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.1328","0.0613","","","0.1459","0.1927","","","","","","1.032","","","","has coordinates","152966","2020-10-21","18:00:00",""
"7117561","11.219","0.005","11.5","0.006","14.861","0.008","72.7","0.03","89.67","0.03","77.32","0.03","1782.3","1.6","103","2","103.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H16 F3 N -","- C24 H16 F3 N -","- C96 H64 F12 N4 -","4","4","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.1971","0.0777","","","0.1461","0.2023","","","","","","0.952","","","","has coordinates,has disorder","152966","2020-10-21","18:00:00",""
"7117562","17.8858","0.0012","5.3984","0.0004","24.0688","0.0017","90","","107.814","0.002","90","","2212.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 F3 N O2 -","- C27 H22 F3 N O2 -","- C108 H88 F12 N4 O8 -","4","1","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.1185","0.063","","","0.1485","0.1793","","","","","","1.04","","","","has coordinates,has disorder","152966","2020-10-21","18:00:00",""
"7117563","20.7969","0.0009","9.1006","0.0003","22.4423","0.001","90","","104.981","0.001","90","","4103.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Au Cl3 N -","- C43 H57 Au Cl3 N -","- C172 H228 Au4 Cl12 N4 -","4","1","","Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.","Chemical communications (Cambridge, England)","2015","51","62","12419","12422","10.1039/c5cc04091d","","","0.71073","MoKα","","0.0504","0.035","","","0.0874","0.1129","","","","","","1.158","","","","has coordinates,has disorder","152966","2020-10-21","18:00:00",""
"7117564","9.96","0.002","8.9114","0.0018","12.427","0.003","90","","105.91","0.03","90","","1060.7","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl N4 O6 -","- C19 H21 Cl N4 O6 -","- C38 H42 Cl2 N8 O12 -","2","1","","Xie, Ming-Sheng; Wang, Yong; Li, Jian-Ping; Du, Cong; Zhang, Yan-Yan; Hao, Er-Jun; Zhang, Yi-Ming; Qu, Gui-Rong; Guo, Hai-Ming","A straightforward entry to chiral carbocyclic nucleoside analogues via the enantioselective [3+2] cycloaddition of α-nucleobase substituted acrylates.","Chemical communications (Cambridge, England)","2015","51","62","12451","12454","10.1039/c5cc04832j","","","0.71073","MoKα","","0.0488","0.0366","","","0.0829","0.0907","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117565","10.748","0.0005","11.799","0.0005","12.2207","0.0006","76.828","0.001","73.111","0.001","87.926","0.001","1443.17","0.12","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 F3 N4 O2 -","- C34 H29 F3 N4 O2 -","- C68 H58 F6 N8 O4 -","2","1","","Nicholls-Allison, Emma C; Nawn, Graeme; Patrick, Brian O.; Hicks, Robin G.","Protoisomerization of indigo di- and monoimines.","Chemical communications (Cambridge, England)","2015","51","62","12482","12485","10.1039/c5cc04492h","","","0.71073","MoKα","","0.0556","0.0432","","","0.1105","0.1197","","","","","","1.039","","","","has coordinates,has disorder","152968","2020-10-21","18:00:00",""
"7117566","12.7461","0.0017","9.883","0.0014","22.461","0.004","90","","106.476","0.004","90","","2713.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 B F4 N4 -","- C32 H29 B F4 N4 -","- C128 H116 B4 F16 N16 -","4","1","","Nicholls-Allison, Emma C; Nawn, Graeme; Patrick, Brian O.; Hicks, Robin G.","Protoisomerization of indigo di- and monoimines.","Chemical communications (Cambridge, England)","2015","51","62","12482","12485","10.1039/c5cc04492h","","","0.71073","MoKα","","0.0583","0.0423","","","0.099","0.1084","","","","","","1.035","","","","has coordinates","152968","2020-10-21","18:00:00",""
"7117567","7.956","0.003","9.421","0.004","13.978","0.006","107.481","0.008","96.743","0.008","100.43","0.008","966.2","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl N3 O -","- C24 H20 Cl N3 O -","- C48 H40 Cl2 N6 O2 -","2","1","","Nicholls-Allison, Emma C; Nawn, Graeme; Patrick, Brian O.; Hicks, Robin G.","Protoisomerization of indigo di- and monoimines.","Chemical communications (Cambridge, England)","2015","51","62","12482","12485","10.1039/c5cc04492h","","","0.71073","MoKα","","0.0751","0.0445","","","0.1011","0.1126","","","","","","1.019","","","","has coordinates","152968","2020-10-21","18:00:00",""
"7117568","14.1344","0.001","14.8496","0.001","17.8584","0.0012","90","","95.5371","0.0009","90","","3730.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","2","","Nicholls-Allison, Emma C; Nawn, Graeme; Patrick, Brian O.; Hicks, Robin G.","Protoisomerization of indigo di- and monoimines.","Chemical communications (Cambridge, England)","2015","51","62","12482","12485","10.1039/c5cc04492h","","","0.71073","MoKα","","0.0595","0.0393","","","0.1015","0.1145","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117569","17.1014","0.0002","18.2552","0.0003","15.9346","0.0002","90","","97.4595","0.0012","90","","4932.51","0.12","100","2","100","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Br4 Cl2 Dy F6 N4 O8 P Zn2 -","- C40 H40 Br4 Cl2 Dy F6 N4 O8 P Zn2 -","- C160 H160 Br16 Cl8 Dy4 F24 N16 O32 P4 Zn8 -","4","0.5","","Oyarzabal, I.; Ruiz, J.; Ruiz, E.; Aravena, D.; Seco, J. M.; Colacio, E.","Increasing the effective energy barrier promoted by the change of a counteranion in a Zn-Dy-Zn SMM: slow relaxation via the second excited state.","Chemical communications (Cambridge, England)","2015","51","62","12353","12356","10.1039/c5cc04495b","","","0.71069","MoKα","","0.0412","0.0307","","","0.0613","0.0653","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117570","17.2829","0.0004","20.6778","0.0003","21.9456","0.0004","90","","90.406","0.002","90","","7842.6","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H95 Au2 Cl3 F6 N5 O4 Sb -","- C73.5 H95 Au2 Cl3 F6 N5 O4 Sb -","- C294 H380 Au8 Cl12 F24 N20 O16 Sb4 -","4","1","","Gimeno, Ana; Rodríguez-Gimeno, Alejandra; Cuenca, Ana B.; Ramírez de Arellano, Carmen; Medio-Simón, Mercedes; Asensio, Gregorio","Gold(i)-catalysed cascade reactions in the synthesis of 2,3-fused indole derivatives.","Chemical communications (Cambridge, England)","2015","51","62","12384","12387","10.1039/c5cc04606h","","","0.71073","MoKα","","0.0941","0.0631","","","0.1486","0.1733","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117571","14.7556","0.001","22.5021","0.0014","10.5208","0.0007","90","","90","","90","","3493.2","0.4","399","2","399","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 Cl2 N4 Zn -","- C30 H28 Cl2 N4 Zn -","- C120 H112 Cl8 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.1278","0.102","","","0.3057","0.3315","","","","","","1.131","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117572","14.6608","0.0009","22.7977","0.0016","9.9218","0.0007","90","","90","","90","","3316.2","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H28 Cl5 N4 Zn -","- C31 H28 Cl5 N4 Zn -","- C124 H112 Cl20 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0793","0.076","","","0.2231","0.2268","","","","","","1.106","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00",""
"7117573","14.6639","0.0009","22.7525","0.0014","9.8535","0.0006","90","","90","","90","","3287.5","0.3","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C62 H60 Cl8 N8 Zn2 -","- C62 H60 Cl8 N8 Zn2 -","- C124 H120 Cl16 N16 Zn4 -","2","0.25","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0722","0.0696","","","0.1842","0.1885","","","","","","0.97","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00",""
"7117574","14.7255","0.0009","22.4827","0.0015","10.2852","0.0007","90","","90","","90","","3405.1","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H28 Cl4 N4 Zn -","- C32 H28 Cl4 N4 Zn -","- C128 H112 Cl16 N16 Zn4 -","4","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.0862","0.0765","","","0.2036","0.2187","","","","","","1.053","","","","has coordinates,has disorder","152971","2020-10-21","18:00:00",""
"7117575","5.599","0.0004","7.1074","0.0005","16.1003","0.0011","92.646","0.004","98.583","0.004","112.049","0.003","583.53","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N4 -","- C30 H28 N4 -","- C30 H28 N4 -","1","0.5","","Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo","Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.","Chemical communications (Cambridge, England)","2015","51","62","12357","12360","10.1039/c5cc02372f","","","1.54178","CuKα","","0.044","0.0394","","","0.1156","0.1299","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117576","18.8889","0.001","5.8024","0.0003","15.156","0.0008","90","","95.856","0.005","90","","1652.44","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Vandavasi, Jaya Kishore; Hu, Wan-Ping; Boominathan, Siva Senthil Kumar; Guo, Bing-Chun; Hsiao, Cheng-Tien; Wang, Jeh-Jeng","Au(i)-catalyzed synthesis of 8-oxabicyclo[3.2.1]oct-2-enes and 9-oxabicyclo[3.3.1]nona-2,6-dienes from enynol via oxonium/Prins-type cyclization.","Chemical communications (Cambridge, England)","2015","51","62","12435","12438","10.1039/c5cc02847g","","x-ray","0.71073","MoKα","","0.0863","0.0567","","","0.13","0.147","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117577","5.8013","0.0003","11.3046","0.0007","15.3699","0.001","110.966","0.003","92.458","0.003","102.961","0.002","908.83","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C50 H40 O6 -","2","1","","Vandavasi, Jaya Kishore; Hu, Wan-Ping; Boominathan, Siva Senthil Kumar; Guo, Bing-Chun; Hsiao, Cheng-Tien; Wang, Jeh-Jeng","Au(i)-catalyzed synthesis of 8-oxabicyclo[3.2.1]oct-2-enes and 9-oxabicyclo[3.3.1]nona-2,6-dienes from enynol via oxonium/Prins-type cyclization.","Chemical communications (Cambridge, England)","2015","51","62","12435","12438","10.1039/c5cc02847g","","x-ray","0.71073","MoKα","","0.0732","0.0559","","","0.1203","0.1331","","","","","","1.065","","","","has coordinates","152972","2020-10-21","18:00:00",""
"7117578","6.2076","0.0008","15.3283","0.0017","16.201","0.002","90","","95.237","0.013","90","","1535.1","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Vandavasi, Jaya Kishore; Hu, Wan-Ping; Boominathan, Siva Senthil Kumar; Guo, Bing-Chun; Hsiao, Cheng-Tien; Wang, Jeh-Jeng","Au(i)-catalyzed synthesis of 8-oxabicyclo[3.2.1]oct-2-enes and 9-oxabicyclo[3.3.1]nona-2,6-dienes from enynol via oxonium/Prins-type cyclization.","Chemical communications (Cambridge, England)","2015","51","62","12435","12438","10.1039/c5cc02847g","","x-ray","0.71073","MoKα","","0.1707","0.0761","","","0.1938","0.2531","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117579","5.5946","0.0004","9.1084","0.0007","26.337","0.002","90","","90.82","0.003","90","","1341.94","0.17","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Vandavasi, Jaya Kishore; Hu, Wan-Ping; Boominathan, Siva Senthil Kumar; Guo, Bing-Chun; Hsiao, Cheng-Tien; Wang, Jeh-Jeng","Au(i)-catalyzed synthesis of 8-oxabicyclo[3.2.1]oct-2-enes and 9-oxabicyclo[3.3.1]nona-2,6-dienes from enynol via oxonium/Prins-type cyclization.","Chemical communications (Cambridge, England)","2015","51","62","12435","12438","10.1039/c5cc02847g","","x-ray","0.71073","MoKα","","0.09","0.067","","","0.1822","0.211","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117580","13.372","0.002","6.2221","0.0009","13.8278","0.0019","90","","112.232","0.011","90","","1065","0.3","293","2","293","","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","(MQ)BF4","N-methylquinoxalinium tetrafluoroborate","","- C9 H9 B F4 N2 -","- C9 H9 B F4 N2 -","- C36 H36 B4 F16 N8 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Pasquier, Claude; Auban-Senzier, Pascale; Raffy, Helene; Powell, Annie K.","Approaching the limit of Cu(II)/Cu(I) mixed valency in a Cu(I)Br2-N-methylquinoxalinium hybrid compound.","Chemical communications (Cambridge, England)","2015","51","64","12740","12743","10.1039/c5cc04142b","","","0.71073","MoKα","","0.1415","0.0362","","","0.0764","0.0992","","","","","","0.716","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117581","15.373","0.002","6.4099","0.0007","10.9646","0.0018","90","","96.692","0.012","90","","1073.1","0.3","293","2","293","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","(MQ)[CuBr2] (MQ=N-methylquinoxalinium)","","- C9 H9 Br2 Cu N2 -","- C9 H9 Br2 Cu N2 -","- C36 H36 Br8 Cu4 N8 -","4","0.5","","Leblanc, Nicolas; Sproules, Stephen; Pasquier, Claude; Auban-Senzier, Pascale; Raffy, Helene; Powell, Annie K.","Approaching the limit of Cu(II)/Cu(I) mixed valency in a Cu(I)Br2-N-methylquinoxalinium hybrid compound.","Chemical communications (Cambridge, England)","2015","51","64","12740","12743","10.1039/c5cc04142b","","","0.71073","MoKα","","0.0328","0.029","","","0.0792","0.0912","","","","","","1.322","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117582","27.347","0.002","15.4386","0.0012","24.5428","0.0019","90","","91.742","0.001","90","","10357.2","1.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetramethyalmmonium nonaniobopentaphosphate","","- C36 H108 N9 Nb9 O69.5 P5 -","- C36 H108 N9 Nb9 O69.342 P5 -","- C144 H432 N36 Nb36 O277.368 P20 -","4","1","","Son, Jung-Ho; Casey, William H.","A new Keggin-like niobium-phosphate cluster that reacts reversibly with hydrogen peroxide.","Chemical communications (Cambridge, England)","2015","51","64","12744","12747","10.1039/c5cc03782d","","","0.71073","MoKα","","0.0695","0.0504","","","0.1328","0.1496","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117583","11.8462","0.0008","7.6966","0.0005","22.1897","0.0018","90","","94.024","0.007","90","","2018.2","0.3","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Rawling, M. J.; Storr, T. E.; Bawazir, W. A.; Cully, S. J.; Lewis, W.; Makki, M. S. I. T.; Strutt, I. R.; Jones, G.; Hamza, D.; Stockman, R. A.","Facile access to a heterocyclic, sp(3)-rich chemical scaffold via a tandem condensation/intramolecular nitrone-alkene [3+2] cycloaddition strategy.","Chemical communications (Cambridge, England)","2015","51","64","12867","12870","10.1039/c5cc05070g","","x-ray","1.54184","CuKα","","0.0423","0.0374","","","0.0944","0.0987","","","","","","1.04","","","","has coordinates","152975","2020-10-21","18:00:00",""
"7117584","8.0233","0.0008","8.5269","0.0006","12.1531","0.0009","107.964","0.007","98.204","0.008","97.133","0.007","770.22","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Rawling, M. J.; Storr, T. E.; Bawazir, W. A.; Cully, S. J.; Lewis, W.; Makki, M. S. I. T.; Strutt, I. R.; Jones, G.; Hamza, D.; Stockman, R. A.","Facile access to a heterocyclic, sp(3)-rich chemical scaffold via a tandem condensation/intramolecular nitrone-alkene [3+2] cycloaddition strategy.","Chemical communications (Cambridge, England)","2015","51","64","12867","12870","10.1039/c5cc05070g","","x-ray","1.54184","CuKα","","0.0916","0.0854","","","0.2434","0.2499","","","","","","1.085","","","","has coordinates","152975","2020-10-21","18:00:00",""
"7117585","10.783","0.0009","12.0241","0.001","14.0523","0.0012","90","","93.965","0.002","90","","1817.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Liu, Bang; Song, Ren-Jie; Ouyang, Xuan-Hui; Li, Yang; Hu, Ming; Li, Jin-Heng","Palladium-catalyzed oxidative 6-exo-trig cyclization of 1,6-enynes: facile synthesis of bicyclo[4.1.0]heptan-5-ones.","Chemical communications (Cambridge, England)","2015","51","64","12819","12822","10.1039/c5cc04300j","","","0.71073","MoKα","","0.0483","0.0387","","","0.1157","0.1225","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117586","18.9194","0.0013","14.8964","0.0011","20.0103","0.0014","90","","90","","90","","5639.5","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C73 H67 N2 O P -","- C73 H67 N2 O P -","- C292 H268 N8 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.1014","0.0589","","","0.1034","0.1202","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117587","13.7202","0.0008","16.4329","0.0011","19.0854","0.0012","74.147","0.002","78.554","0.002","81.404","0.002","4036.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H72 B F4 N2 P -","- C88 H72 B F4 N2 P -","- C176 H144 B2 F8 N4 P2 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.0727","0.0559","","","0.142","0.1498","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117588","14.4808","0.0011","14.6435","0.0011","15.4095","0.001","83.039","0.002","84.164","0.002","77.715","0.002","3159.5","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H58 F6 N2 O7 P S2 -","- C71 H58.0001 F6 N2 O7 P S2 -","- C142 H116 F12 N4 O14 P2 S4 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","x-ray","0.71073","MoKα","","0.0635","0.0527","","","0.1182","0.1251","","","","","","1.068","","","","has coordinates,has disorder","152977","2020-10-21","18:00:00",""
"7117589","12.6626","0.0008","18.3247","0.0011","25.5405","0.0015","90","","101.719","0.002","90","","5802.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H57 Fe N2 O4 P -","- C73 H57 Fe N2 O4 P -","- C292 H228 Fe4 N8 O16 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.0982","0.0567","","","0.1198","0.1433","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117590","15.4817","0.0009","18.0766","0.001","24.4404","0.0014","90","","98.019","0.002","90","","6772.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H57 Au2 Cl2 N2 P -","- C69 H57 Au2.0001 Cl2.0001 N2 P -","- C276 H228 Au8.0004 Cl8.0004 N8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.0492","0.0447","","","0.1217","0.1246","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117591","13.5874","0.0018","17.073","0.002","24.447","0.003","90","","105.718","0.003","90","","5459.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H63 B2 N2 P -","- C69 H63 B2 N2 P -","- C276 H252 B8 N8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy","Isolation of a Lewis base stabilized parent phosphenium (PH2(+)) and related species.","Chemical communications (Cambridge, England)","2015","51","64","12732","12735","10.1039/c5cc05241f","","","0.71073","MoKα","","0.1254","0.0571","","","0.0994","0.1231","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117592","12.82457","0.00018","6.61539","0.00009","20.0798","0.0003","90","","93.3829","0.0013","90","","1700.59","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Paterson, Andrew J.; St John-Campbell, Sahra; Mahon, Mary F.; Press, Neil J.; Frost, Christopher G.","Catalytic meta-selective C-H functionalization to construct quaternary carbon centres.","Chemical communications (Cambridge, England)","2015","51","64","12807","12810","10.1039/c5cc03951g","","x-ray","1.54184","CuKα","","0.0425","0.0384","","","0.0933","0.0964","","","","","","1.038","","","","has coordinates","152978","2020-10-21","18:00:00",""
"7117593","17.7558","0.0005","21.8506","0.0008","21.8517","0.0007","60.483","0.004","81.896","0.002","68.78","0.003","6870","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H218 Co12 N26 O50 -","- C222 H218 Co12 N26 O50 -","- C222 H218 Co12 N26 O50 -","1","0.5","","Xu, Hong; Wang, Qian; Qin, Jian-Hua; Zang, Shuang-Quan; Langley, Stuart K.; Murray, Keith S.; Moubaraki, Boujemaa; Batten, Stuart R.; Mak, Thomas C. W.","A cyclic dodecanuclear cobalt cluster based on a derivative of the rhodamine 6G dye with unusual magnetization.","Chemical communications (Cambridge, England)","2015","51","64","12716","12719","10.1039/c5cc04401d","","","0.71073","MoKα","","0.0977","0.0597","","","0.1563","0.1775","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117594","18.0973","0.0002","28.4369","0.0004","28.5016","0.0003","90","","90","","90","","14667.8","0.3","301","2","301","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","compound 1","","- C50 H62 Cl4 Cu2 N8 O21 S5 -","- C50 H62 Cl4 Cu2 N8 O21 S5 -","- C400 H496 Cl32 Cu16 N64 O168 S40 -","8","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.1406","0.1141","","","0.3251","0.3447","","","","","","1.029","","","","has coordinates,has disorder","152980","2020-10-21","18:00:00",""
"7117595","10.7197","0.0007","10.7197","0.0007","23.0839","0.0012","90","","90","","120","","2297.2","0.2","293","2","293","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C9 H16 Cl Cu0.5 N O6 S2 -","- C9 H16 Cl Cu0.5 N O6 S2 -","- C54 H96 Cl6 Cu3 N6 O36 S12 -","6","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.0382","0.0328","","","0.0845","0.0877","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117596","10.7314","0.0002","10.7314","0.0002","23.1419","0.0006","90","","90","","120","","2308.04","0.09","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C9 H16 Cl Cu0.5 N O6 S2 -","- C9 H16 Cl Cu0.5 N O6 S2 -","- C54 H96 Cl6 Cu3 N6 O36 S12 -","6","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.038","0.0334","","","0.0826","0.0854","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117597","6.0914","0.0007","8.5177","0.0011","23.947","0.003","90","","90.598","0.007","90","","1242.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Karad, Somnath Narayan; Chung, Wei-Kang; Liu, Rai-Shung","Gold-catalyzed formal [4π+2π]-cycloadditions of tert-butyl propiolates with aldehydes and ketones to form 4H-1,3-dioxine derivatives.","Chemical communications (Cambridge, England)","2015","51","65","13004","13007","10.1039/c5cc04538j","","","0.71073","MoKα","","0.169","0.1269","","","0.3426","0.392","","","","","","1.388","","","","has coordinates","152981","2020-10-21","18:00:00",""
"7117598","40.945","0.004","4.8118","0.0006","18.994","0.0017","90","","114.23","0.003","90","","3412.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 F N O2 -","- C21 H18 F N O2 -","- C168 H144 F8 N8 O16 -","8","1","","Zhou, Peng; Hao, Wen-Juan; Zhang, Jin-Peng; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Cascade bicyclizations of o-alkynyl aldehydes with thiazolium salts: a new access toward poly-functionalized indeno[2,1-b]pyrroles.","Chemical communications (Cambridge, England)","2015","51","65","13012","13015","10.1039/c5cc04306a","","","1.54178","CuKα","","0.1505","0.0677","","","0.1074","0.1357","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117599","16.6086","0.0015","7.1589","0.0006","19.141","0.003","90","","102.179","0.001","90","","2224.6","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H18 Cu N6 O7 -","- C24 H18 Cu N6 O7 -","- C96 H72 Cu4 N24 O28 -","4","0.5","","Larragy, Ruth; Fitzgerald, Jenny; Prisecaru, Andreea; McKee, Vickie; Leonard, Paul; Kellett, Andrew","Protein engineering with artificial chemical nucleases.","Chemical communications (Cambridge, England)","2015","51","65","12908","12911","10.1039/c5cc04615g","","","0.71073","MoKα","","0.03","0.0278","","","0.0786","0.0801","","","","","","1.101","","","","has coordinates","152983","2020-10-21","18:00:00",""
"7117600","9.156","0.005","10.84","0.006","22.94","0.012","90","","100.259","0.015","90","","2240","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 B2 Cl4 Fe2 N2 O4 -","- C41 H56 B2 Cl4 Fe2 N2 O4 -","- C82 H112 B4 Cl8 Fe4 N4 O8 -","2","0.5","","Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine","Activation of boryl-, borylene and metalloborylene complexes by isonitriles.","Chemical communications (Cambridge, England)","2015","51","65","13032","13035","10.1039/c5cc04712a","","","0.71073","MoKα","","0.0265","0.0231","","","0.0571","0.0592","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117601","9.5331","0.0004","12.839","0.0006","18.276","0.0008","90","","97.456","0.001","90","","2217.99","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B Mn N3 O2 -","- C21 H31 B Mn N3 O2 -","- C84 H124 B4 Mn4 N12 O8 -","4","1","","Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine","Activation of boryl-, borylene and metalloborylene complexes by isonitriles.","Chemical communications (Cambridge, England)","2015","51","65","13032","13035","10.1039/c5cc04712a","","","0.71073","MoKα","","0.0316","0.0276","","","0.0708","0.0734","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117602","10.8","0.003","18.449","0.006","19.691","0.006","90","","96.23","0.009","90","","3900","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H48 B Cr Fe N3 O7 -","- C38 H48 B Cr Fe N3 O7 -","- C152 H192 B4 Cr4 Fe4 N12 O28 -","4","2","","Braunschweig, Holger; Ewing, William C.; Ferkinghoff, Katharina; Hermann, Alexander; Kramer, Thomas; Shang, Rong; Siedler, Eva; Werner, Christine","Activation of boryl-, borylene and metalloborylene complexes by isonitriles.","Chemical communications (Cambridge, England)","2015","51","65","13032","13035","10.1039/c5cc04712a","","","0.71073","MoKα","","0.0238","0.0231","","","0.0606","0.061","","","","","","1.003","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7117603","13.9096","0.0003","10.5234","0.0002","22.6923","0.0005","90","","90","","90","","3321.61","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cd N3 O2 S -","- C14 H19 Cd N3 O2 S -","- C112 H152 Cd8 N24 O16 S8 -","8","1","","Roy, Sumit; Dey, Arka; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Chattopadhyay, Shouvik","Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on-off ratio.","Chemical communications (Cambridge, England)","2015","51","65","12974","12976","10.1039/c5cc04323a","","","0.71073","MoKα","","0.0318","0.0269","","","0.0626","0.0645","","","","","","1.246","","","","has coordinates","152986","2020-10-21","18:00:00",""
"7117604","9.382","0.0019","13.771","0.003","14.966","0.003","63","0.03","76.75","0.03","82.82","0.03","1676.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H44 F20 Ir2 N12 O P2 -","- C54 H34 F20 Ir2 N12 P2 -","- C54 H34 F20 Ir2 N12 P2 -","1","0.5","","Li, Guangfu; Ren, Xinyao; Shan, Guogang; Che, Weilong; Zhu, Dongxia; Yan, Likai; Su, Zhongmin; Bryce, Martin R.","New AIE-active dinuclear Ir(iii) complexes with reversible piezochromic phosphorescence behaviour.","Chemical communications (Cambridge, England)","2015","51","65","13036","13039","10.1039/c5cc04850h","","","0.71073","MoKα","","0.0648","0.0489","","","0.1359","0.1425","","","","","","0.981","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117605","14.9821","0.0003","27.9247","0.0007","18.0471","0.0004","90","","107.42","0.001","90","","7204.1","0.3","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 Cu N3 O2 -","- C40 H49 Cu N3 O2 -","- C320 H392 Cu8 N24 O16 -","8","2","","Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Mechanical switching of magnetic interaction by tweezers-type complex.","Chemical communications (Cambridge, England)","2015","51","65","12916","12919","10.1039/c5cc04980f","","","1.54178","CuKα","","0.038","0.0365","","","0.1028","0.1042","","","","","","1.03","","","","has coordinates","152988","2020-10-21","18:00:00",""
"7117606","11.3594","0.0002","40.7108","0.0006","19.0962","0.0003","90","","90","","90","","8831","0.2","200","1","200","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H99 Cu2 N7 O10 -","- C91 H99 Cu2 N7 O10 -","- C364 H396 Cu8 N28 O40 -","4","0.5","","Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Mechanical switching of magnetic interaction by tweezers-type complex.","Chemical communications (Cambridge, England)","2015","51","65","12916","12919","10.1039/c5cc04980f","","","1.54178","CuKα","","0.1306","0.0909","","","0.2591","0.2876","","","","","","1.102","","","","has coordinates,has disorder","152988","2020-10-21","18:00:00",""
"7117607","69.071","0.003","14.7327","0.0006","19.7966","0.0008","90","","98.123","0.002","90","","19943","1.4","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H101 Cl11 Cu2 N7 O4 Zn -","- C94 H101 Cl11 Cu2 N7 O4 Zn -","- C752 H808 Cl88 Cu16 N56 O32 Zn8 -","8","1","","Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Mechanical switching of magnetic interaction by tweezers-type complex.","Chemical communications (Cambridge, England)","2015","51","65","12916","12919","10.1039/c5cc04980f","","x-ray","1.54178","CuKα","","0.0813","0.071","","","0.1985","0.2079","","","","","","1.052","","","","has coordinates,has disorder","152988","2020-10-21","18:00:00",""
"7117611","13.0242","0.0006","13.3563","0.0006","8.2205","0.0003","90","","100.66","0.004","90","","1405.32","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F6 N O4 -","- C12 H9 F6 N O4 -","- C48 H36 F24 N4 O16 -","4","1","","Sarkar, Satavisha; Khan, Abu T.","Beyond conventional routes, an unprecedented metal-free chemoselective synthesis of anthranilate esters via a multicomponent reaction (MCR) strategy.","Chemical communications (Cambridge, England)","2015","51","63","12673","12676","10.1039/c5cc03369a","","","0.71073","MoKα","","0.0986","0.0725","","","0.1985","0.2215","","","","","","1.078","","","","has coordinates","152992","2020-10-21","18:00:00",""
"7117612","4.8164","0.0004","12.3382","0.0007","24.0676","0.0019","90","","94.39","0.007","90","","1426.04","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Sarkar, Satavisha; Khan, Abu T.","Beyond conventional routes, an unprecedented metal-free chemoselective synthesis of anthranilate esters via a multicomponent reaction (MCR) strategy.","Chemical communications (Cambridge, England)","2015","51","63","12673","12676","10.1039/c5cc03369a","","","0.71073","MoKα","","0.1241","0.0669","","","0.1125","0.1366","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117613","29.5862","0.001","29.5862","0.001","3.4563","0.0002","90","","90","","90","","3025.4","0.2","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25 Ag6 Cl N16 O7 -","- C32 H100 Ag24 Cl4 N64 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0543","0.0488","","","0.0967","0.1002","","","","","","1.033","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117614","19.3474","0.0013","19.3474","0.0013","3.5013","0.0004","90","","90","","90","","1310.61","0.19","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H13 Ag6 Cl N16 O -","- C8 H13 Ag6 Cl N16 O -","- C16 H26 Ag12 Cl2 N32 O2 -","2","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.115","0.1009","","","0.171","0.1779","","","","","","1.039","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117615","29.415","0.003","29.415","0.003","3.525","0.0004","90","","90","","90","","3050","0.6","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C12 H29 Ag6 Cl N12 O7 -","- C12 H29 Ag6 Cl N12 O7 -","- C48 H116 Ag24 Cl4 N48 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0408","0.0341","","","0.0914","0.0969","","","","","","1.059","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117616","28.708","0.003","28.708","0.003","3.5249","0.0003","90","","90","","90","","2905","0.5","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H17 Ag6 Cl N12 O -","- C12 H17 Ag6 Cl N12 O -","- C48 H68 Ag24 Cl4 N48 O4 -","4","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0619","0.0545","","","0.1605","0.1659","","","","","","1.096","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117617","29.6337","0.0016","29.6337","0.0016","3.4913","0.0002","90","","90","","90","","3065.9","0.3","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H25 Ag6 Br N16 O7 -","- C8 H26 Ag6 Br N16 O7 -","- C32 H104 Ag24 Br4 N64 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.0335","0.0318","","","0.0926","0.0941","","","","","","1.058","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117618","19.455","0.002","19.455","0.002","3.5339","0.0004","90","","90","","90","","1337.6","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H13 Ag6 Br N16 O -","- C8 H13 Ag6 Br N16 O -","- C16 H26 Ag12 Br2 N32 O2 -","2","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.1155","0.1017","","","0.2501","0.2584","","","","","","1.068","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117619","29.419","0.002","29.419","0.002","3.5564","0.0004","90","","90","","90","","3078","0.5","293","2","293","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C12 H29 Ag6 Br N12 O7 -","- C12 H29 Ag6 Br N12 O7 -","- C48 H116 Ag24 Br4 N48 O28 -","4","","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71073","MoKα","","0.1573","0.0942","","","0.2003","0.2405","","","","","","1.069","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117620","28.503","0.003","28.503","0.003","3.5383","0.0005","90","","90","","90","","2874.6","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H17 Ag6 Br N12 O -","- C12 H17 Ag6 Br N12 O -","- C48 H68 Ag24 Br4 N48 O4 -","4","0.25","","Zhou, Dong-Dong; Liu, Zhi-Juan; He, Chun-Ting; Liao, Pei-Qin; Zhou, Hao-Long; Zhong, Zhen-Song; Lin, Rui-Biao; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Controlling the flexibility and single-crystal to single-crystal interpenetration reconstitution of metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","63","12665","12668","10.1039/c5cc05036g","","","0.71","MoKα","","0.2386","0.1793","","","0.3341","0.3731","","","","","","1.092","","","","has coordinates,has disorder","152993","2020-10-21","18:00:00",""
"7117621","11.9138","0.0009","12.3154","0.0009","14.3549","0.0011","99.444","0.001","98.544","0.001","116.93","0.001","1791.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","FPYPCA","(Fpypy)2Ir(dipcca)","","- C40 H36 F4 Ir N7 O -","- C40 H36 F4 Ir N7 O -","- C80 H72 F8 Ir2 N14 O2 -","2","1","","Feng, Yansong; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Peng, Tai; Liu, Yu; Wang, Yue","A novel bipolar phosphorescent host for highly efficient deep-red OLEDs at a wide luminance range of 1000-10 000 cd m(-2).","Chemical communications (Cambridge, England)","2015","51","63","12544","12547","10.1039/c5cc04297f","","","0.71073","MoKα","","0.0502","0.041","","","0.0999","0.1211","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117622","13.8032","0.0006","14.0849","0.0006","14.8146","0.0006","89.715","0.003","77.329","0.003","77.339","0.003","2738.9","0.2","130","","130","","","","","","","","","4","P 1","P 1","1","","","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","4","","Wu, Xiaowei; Zhang, Dengyou; Zhou, Shengbin; Gao, Feng; Liu, Hong","Site-specific indolation of proline-based peptides via copper(ii)-catalyzed oxidative coupling of tertiary amine N-oxides.","Chemical communications (Cambridge, England)","2015","51","63","12571","12573","10.1039/c5cc03706a","","","1.54178","CuKα","","0.0891","0.0725","","","0.1976","0.2174","","","","","","1.026","","","","has coordinates","152995","2020-10-21","18:00:00",""
"7117623","10.29","0.003","16.124","0.004","15.403","0.004","90","","106.6","0.003","90","","2449.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Gao, Zhenzhen; Wang, Chang; Yuan, Chunhao; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4+1] annulation of 2-tosylaminochalcones with allenoates: synthesis of trans-2,3-disubstitued indolines.","Chemical communications (Cambridge, England)","2015","51","63","12653","12656","10.1039/c5cc04279h","","","0.71073","MoKα","","0.0644","0.0601","","","0.1316","0.1343","","","","","","1.2","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117624","7.361","0.0005","8.3907","0.0005","16.3626","0.001","80.826","0.005","89.447","0.005","85.419","0.005","994.5","0.11","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","PyrDI","pyrene-1,2:6,7-tetracarboxylic diimides","","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","- C52 H40 N4 O8 -","2","1","","Zou, Lin; Wang, Xiao-Ye; Zhang, Xiao-Xiao; Dai, Ya-Zhong; Wu, Yun-Dong; Wang, Jie-Yu; Pei, Jian","Toward electron-deficient pyrene derivatives: construction of pyrene tetracarboxylic diimide containing five-membered imide rings.","Chemical communications (Cambridge, England)","2015","51","63","12585","12588","10.1039/c5cc04860e","","","0.7107","MoKα","","0.067","0.0509","","","0.1253","0.1363","","","","","","1.032","","","","has coordinates","152997","2020-10-21","18:00:00",""
"7117625","9.2644","0.0008","14.3849","0.0012","17.7198","0.0012","90","","90","","90","","2361.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H36 N4 P2 -","- C20 H38 N4 P2 -","- C80 H152 N16 P8 -","4","0.5","","Su, Jing; Wang, Bingqiang; Liu, Dongling; Du, Libo; Liu, Yang; Su, Jihu; Zheng, Wenjun","A 1,2,4-diazaphospholyl radical and its nitrogen-phosphorus coupled dimer: synthesis, X-ray structural characterization, EPR analysis, and computational studies.","Chemical communications (Cambridge, England)","2015","51","63","12680","12683","10.1039/c5cc05125h","","","0.71073","MoKα","","0.0769","0.0473","","","0.1142","0.1287","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117626","8.6043","0.001","16.622","0.002","21.331","0.003","90","","90","","90","","3050.8","0.7","100","2","100","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C27 H21 B0 Cl Co F0 N4 O2 -","- C27 H21 Cl Co N5 O2 -","- C108 H84 Cl4 Co4 N20 O8 -","4","0.5","","Das, Biswanath; Orthaber, Andreas; Ott, Sascha; Thapper, Anders","Water oxidation catalysed by a mononuclear Co(II) polypyridine complex; possible reaction intermediates and the role of the chloride ligand.","Chemical communications (Cambridge, England)","2015","51","66","13074","13077","10.1039/c5cc04148a","","","0.71073","MoKα","","0.0588","0.0428","","","0.1251","0.1485","","","","","","0.56","","","","has coordinates","152999","2020-10-21","18:00:00",""
"7117627","11.0927","0.0007","15.2908","0.0009","17.2201","0.001","90","","90","","90","","2920.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl3 N2 O7 -","- C27 H29 Cl3 N2 O7 -","- C108 H116 Cl12 N8 O28 -","4","1","","Zhou, Rui; Wu, Qinjie; Guo, Mingrui; Huang, Wei; He, Xianghong; Yang, Lei; Peng, Fu; He, Gu; Han, Bo","Organocatalytic cascade reaction for the asymmetric synthesis of novel chroman-fused spirooxindoles that potently inhibit cancer cell proliferation.","Chemical communications (Cambridge, England)","2015","51","66","13113","13116","10.1039/c5cc04968g","","","1.54184","CuKα","","0.0751","0.0532","","","0.1389","0.1619","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117628","17.549","0.004","11.355","0.002","18.82","0.004","90","","111.289","0.004","90","","3494.3","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C136 H104 F24 N16 O16 S8 -","8","1","","Duan, Yaya; Zhou, Bin; Lin, Jin-Hong; Xiao, Ji-Chang","Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.","Chemical communications (Cambridge, England)","2015","51","66","13127","13130","10.1039/c5cc04991a","","","0.71073","MoKα","","0.0579","0.0465","","","0.1261","0.1363","","","","","","1.058","","","","has coordinates,has disorder","153001","2020-10-21","18:00:00",""
"7117629","4.8359","0.0006","6.4223","0.0008","30.645","0.004","90","","90","","90","","951.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 F3 N O3 -","- C9 H6 F3 N O3 -","- C36 H24 F12 N4 O12 -","4","1","","Duan, Yaya; Zhou, Bin; Lin, Jin-Hong; Xiao, Ji-Chang","Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.","Chemical communications (Cambridge, England)","2015","51","66","13127","13130","10.1039/c5cc04991a","","","0.71073","MoKα","","0.0559","0.0483","","","0.1313","0.1383","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117633","17.7574","0.0016","14.7085","0.0014","17.0416","0.0015","90","","90.251","0.005","90","","4451","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bisphenalenethienoacene","","- C52 H54 S2 Si2 -","- C52 H54 S2 Si2 -","- C208 H216 S8 Si8 -","4","1","","Xueliang Shi; Sangsu Lee; Minjung Son; Bin Zheng; Jingjing Chang; Linzhi Jing; Kuo-Wei Huang; Dongho Kim; Chunyan Chi","Pro-aromatic bisphenaleno-thieno[3,2-b]thiophene versus anti-aromatic bisindeno-thieno[3,2-b]thiophene: different ground-state properties and applications in field-effect transistors","Chem.Commun.","2015","51","","13178","","10.1039/C5cc04243G","","","1.54178","CuKα","","0.1048","0.077","","","0.2043","0.2471","","","","","","1.052","","","","has coordinates,has disorder","153722","2020-10-21","18:00:00",""
"7117634","14.4171","0.001","16.6908","0.0012","17.855","0.0013","63.51","0.002","76.303","0.001","74.915","0.001","3676.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H68 N16 O8 Zn -","- C70 H68 N16 O8 Zn -","- C140 H136 N32 O16 Zn2 -","2","1","","Lucas Kocher; Stephanie Durot; Valerie Heitz","Control of the cavity size of flexible covalent cages by silver coordination to the peripheral binding sites","Chem.Commun.","2015","51","","13181","","10.1039/C5cc04972E","","","0.71073","MoKα","","0.0745","0.0539","","","0.1558","0.1678","","","","","","1.141","","","","has coordinates","153723","2020-10-21","18:00:00",""
"7117635","11.3589","0.0005","8.1467","0.0004","15.8924","0.0007","90","","99.885","0.005","90","","1448.81","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 F3 N4 -","- C13 H15 F3 N4 -","- C52 H60 F12 N16 -","4","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71073","MoKα","","0.1207","0.0637","","","0.1508","0.1959","","","","","","1.036","","","","has coordinates,has disorder","153724","2020-10-21","18:00:00",""
"7117636","33.4249","0.0017","6.2204","0.0003","20.9937","0.0009","90","","96.885","0.004","90","","4333.5","0.4","293.6","0.2","293.6","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 F3 N O2 -","- C24 H22 F3 N O2 -","- C192 H176 F24 N8 O16 -","8","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71073","MoKα","","0.1321","0.0635","","","0.1434","0.1951","","","","","","1.046","","","","has coordinates,has disorder","153724","2020-10-21","18:00:00",""
"7117637","9.987","0.003","10.061","0.003","10.168","0.0016","71.21","0.02","75.39","0.02","79.84","0.02","930.9","0.4","295.42","0.1","295.42","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 F3 N2 -","- C21 H19 F3 N2 -","- C42 H38 F6 N4 -","2","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71073","MoKα","","0.1818","0.088","","","0.2253","0.3307","","","","","","0.95","","","","has coordinates","153724","2020-10-21","18:00:00",""
"7117638","9.2351","0.0007","5.3558","0.0004","12.9094","0.0009","90","","104.113","0.007","90","","619.24","0.08","293.42","0.1","293.42","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71","MoKα","","0.087","0.0591","","","0.127","0.147","","","","","","1.076","","","","has coordinates","153724","2020-10-21","18:00:00",""
"7117639","13.226","0.003","13.605","0.004","7.27","0.002","90","","92.84","0.02","90","","1306.6","0.6","293.18","0.1","293.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O -","- C15 H10 F3 N O -","- C60 H40 F12 N4 O4 -","4","1","","Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang","The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines","Chem.Commun.","2015","51","","13209","","10.1039/C5cc05066A","","x-ray","0.71073","MoKα","","0.2202","0.1085","","","0.2646","0.3752","","","","","","0.917","","","","has coordinates","153724","2020-10-21","18:00:00",""
"7117640","14.4445","0.0006","14.4445","0.0006","34.0453","0.001","90","","90","","120","","6151.7","0.4","173","0.2","173","0.2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H17 N O5 Pb -","- C11 H17 N O5 Pb -","- C198 H306 N18 O90 Pb18 -","18","1","","Saet Byeol Kim; Dong Woo Lee; Suk-Kyu Chang; Kang Min Ok","Pb3[C6(CH3)3(CO2)3H6]2[DMF]3: first layered Pb-Kemp's triacid complex","Chem.Commun.","2015","51","","13166","","10.1039/C5cc05360A","","","0.71073","MoKα","","0.1398","0.0465","","","0.0625","0.0778","","","","","","0.771","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117641","21.403","0.006","34.255","0.009","8.023","0.002","90","","90","","90","","5882","3","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","TCM-9","Holmium-BETB MOF","","- C36 H30 Ho N O11 -","- C36 H15 Ho N O11 -","- C144 H60 Ho4 N4 O44 -","4","0.5","","Gerard Tobin; Steve Comby; Nianyong Zhu; Rodolphe Clerac; Thorfinnur Gunnlaugsson; Wolfgang Schmitt","Towards multifunctional lanthanide-based metal-organic frameworks","Chem.Commun.","2015","51","","13313","","10.1039/C5cc04928H","","","1.54184","CuKα","","0.213","0.1469","","","0.3668","0.4213","","","","","","1.507","","","","has coordinates","153726","2020-10-21","18:00:00",""
"7117642","7.3942","0.0009","9.2111","0.0011","14.029","0.002","90","","93.117","0.012","90","","954.1","0.2","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Tetraperoxidocyclohexane monohydrate","Tetraperoxidocyclohexane monohydrate","","- C6 H14 O9 -","- C6 H14 O9 -","- C24 H56 O36 -","4","0.5","","Nipuni-Dhanesh; H. Gamage; Benedikt Stiasny; Jorg Stierstorfer; Philip D. Martin; Thomas M. Klapotke; Charles H. Winter","Less sensitive oxygen-rich organic peroxides containing geminal hydroperoxy groups","Chem.Commun.","2015","51","","13298","","10.1039/C5cc05015D","","","0.71073","MoKα","","0.0502","0.0354","","","0.0762","0.0861","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117643","9.776","0.003","6.0458","0.0016","8.133","0.002","90","","100.964","0.011","90","","471.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(dihydroperoxymethyl)benzene","","- C4 H5 O4 -","- C4 H5 O4 -","- C16 H20 O16 -","4","1","","Nipuni-Dhanesh; H. Gamage; Benedikt Stiasny; Jorg Stierstorfer; Philip D. Martin; Thomas M. Klapotke; Charles H. Winter","Less sensitive oxygen-rich organic peroxides containing geminal hydroperoxy groups","Chem.Commun.","2015","51","","13298","","10.1039/C5cc05015D","","","0.71073","MoKα","","0.0363","0.0328","","","0.1334","0.1355","","","","","","2.008","","","","has coordinates","153727","2020-10-21","18:00:00",""
"7117644","8.1909","0.0008","9.5693","0.0009","10.5301","0.0008","75.88","0.007","72.823","0.008","67.507","0.009","720.5","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","(Z)-2-nitro-1-(1-phenylprop-1-enyl)-4-(trifluoromethyl)benzene","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C32 H24 F6 N2 O4 -","2","1","","Haiqing Luo; Guojiao Wu; Shuai Xu; Kang Wang; Chaoqiang Wu; Yan Zhang; Jianbo Wang","Palladium-catalyzed cross-coupling of aryl fluorides with N-tosylhydrazones via C-F bond activation","Chem.Commun.","2015","51","","13321","","10.1039/C5cc05035A","","","0.71073","MoKα","","0.1275","0.0893","","","0.2252","0.2594","","","","","","1.063","","","","has coordinates","153728","2020-10-21","18:00:00",""
"7117645","5.8037","0.0006","15.049","0.0014","15.033","0.002","90","","90","","90","","1313","0.3","180.01","0.1","180.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Haiqing Luo; Guojiao Wu; Shuai Xu; Kang Wang; Chaoqiang Wu; Yan Zhang; Jianbo Wang","Palladium-catalyzed cross-coupling of aryl fluorides with N-tosylhydrazones via C-F bond activation","Chem.Commun.","2015","51","","13321","","10.1039/C5cc05035A","","","0.71073","MoKα","","0.054","0.0426","","","0.0953","0.1036","","","","","","1.066","","","","has coordinates","153728","2020-10-21","18:00:00",""
"7117646","12.5416","0.0007","16.0775","0.0009","27.2358","0.0015","87.785","0.001","85.0576","0.001","79.8209","0.001","5383.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H180 K2 Mn2 O18 Si12 -","- C76 H180 K2 Mn2 O18 Si12 -","- C152 H360 K4 Mn4 O36 Si24 -","2","1","","C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power","Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism","Chem.Commun.","2015","51","","13275","","10.1039/C5cc05166E","","","0.71073","MoKα","","0.1033","0.0546","","","0.111","0.128","","","","","","1.037","","","","has coordinates,has disorder","153729","2020-10-21","18:00:00",""
"7117647","18.4983","0.001","14.4287","0.0008","21.2812","0.0011","90","","90.821","0.001","90","","5679.5","0.5","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H94 K Mn O10 Si6 -","- C40 H94 K Mn O10 Si6 -","- C160 H376 K4 Mn4 O40 Si24 -","4","0.5","","C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power","Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism","Chem.Commun.","2015","51","","13275","","10.1039/C5cc05166E","","","0.71073","MoKα","","0.0351","0.0284","","","0.0713","0.0751","","","","","","1.04","","","","has coordinates","153729","2020-10-21","18:00:00",""
"7117648","14.516","0.007","9.366","0.004","15.706","0.007","90","","97.731","0.007","90","","2115.9","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B2 Cu F8 N4 -","- C19 H20 B2 Cu F8 N4 -","- C76 H80 B8 Cu4 F32 N16 -","4","1","","Hiroaki Kotani; Tomomi Yagi; Tomoya Ishizuka; Takahiko Kojima","Enhancement of 4-electron O2 reduction by a Cu(II)-pyridylamine complex via protonation of a pendant pyridine in the second coordination sphere in water","Chem.Commun.","2015","51","","13385","","10.1039/C5cc03012A","","","0.71073","MoKα","","0.0962","0.0508","","","0.1275","0.1505","","","","","","0.886","","","","has coordinates","153730","2020-10-21","18:00:00",""
"7117650","12.536","0.003","28.635","0.006","15.794","0.003","90","","91.53","0.03","90","","5668","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 K2 N18 Ni2 O12 -","- C51 H38 K2 N18 Ni2 O12 -","- C204 H152 K8 N72 Ni8 O48 -","4","1","","Jesus Ferrando-Soria; Oscar Fabelo; Maria Castellano; Joan Cano; Stephen Fordham; Hong-Cai Zhou","Multielectron oxidation in a ferromagnetically coupled dinickel(II) triple mesocate","Chem.Commun.","2015","51","","13381","","10.1039/C5cc03544A","","x-ray","0.71073","Mokα","","0.1039","0.075","","","0.217","0.2414","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117651","22.614","0.008","8.529","0.003","17.808","0.006","90","","107.877","0.005","90","","3269","2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N5 Pt -","- C32 H49 N5 Pt -","- C128 H196 N20 Pt4 -","4","1","","Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","A dual-emissive ionic liquid based on an anionic platinum(II) complex","Chemical Communications (Cambridge, United Kingdom)","2015","51","69","13377","13380","10.1039/c5cc04407c","","","0.71075","MoKα","","0.0491","0.0365","","","0.09","0.0961","","","","","","1.074","","","","has coordinates","210994","2020-10-21","18:00:00",""
"7117652","19.743","0.005","12.197","0.003","14.509","0.004","90","","108.445","0.003","90","","3314.4","1.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 K2 N6 O3 Pt2 -","- C31 H26 K2 N6 O3 Pt2 -","- C124 H104 K8 N24 O12 Pt8 -","4","1","","Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","A dual-emissive ionic liquid based on an anionic platinum(II) complex","Chemical Communications (Cambridge, United Kingdom)","2015","51","69","13377","13380","10.1039/c5cc04407c","","","0.71075","MoKα","","0.0563","0.0458","","","0.121","0.1278","","","","","","1.068","","","","has coordinates","210994","2020-10-21","18:00:00",""
"7117653","9.7972","0.0004","10.4809","0.0005","12.3285","0.0006","107.162","0.001","102.474","0.001","101.595","0.001","1132.47","0.09","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-L-U-gA-L-U-gA-OEt","(6S,12R,17R,23S)-ethyl 6,17-diisobutyl-2,2,9,9,12,20,20,23-octamethyl-4,7,10,15,18,21-hexaoxo-3-oxa-5,8,11,16,19,22-hexaazahexacosan-26-oate","","- C39 H74 N6 O10 -","- C39 H74 N6 O10 -","- C39 H74 N6 O10 -","1","1","","Mothukuri Ganesh Kumar; Sushil N. Benke; K. Muruga Poopathi Raja; Hosahudya N. Gopi","Engineering polypeptide folding through trans double bonds: transformation of miniature beta-meanders to hybrid helices","Chem.Commun.","2015","51","","13397","","10.1039/C5cc04523A","","","0.71073","MoKα","","0.0358","0.035","","","0.1039","0.1052","","","","","","0.908","","","","has coordinates","153733","2020-10-21","18:00:00",""
"7117654","9.286","0.003","20.892","0.007","27.661","0.009","90","","98.639","0.006","90","","5305","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H76 N6 O9 -","- C49 H76 N6 O9 -","- C196 H304 N24 O36 -","4","2","","Mothukuri Ganesh Kumar; Sushil N. Benke; K. Muruga Poopathi Raja; Hosahudya N. Gopi","Engineering polypeptide folding through trans double bonds: transformation of miniature beta-meanders to hybrid helices","Chem.Commun.","2015","51","","13397","","10.1039/C5cc04523A","","","0.71073","MoKα","","0.2137","0.1417","","","0.3136","0.3355","","","","","","1.443","","","","has coordinates","153733","2020-10-21","18:00:00",""
"7117655","35.352","0.011","10.43","0.003","17.876","0.005","90","","107.549","0.005","90","","6285","3","100","2","100","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","hexapeptide","Boc-LUdgFLUdgF-COOEt","","- C49 H72 N6 O9 -","- C49 H72 N6 O9 -","- C196 H288 N24 O36 -","4","1","","Mothukuri Ganesh Kumar; Sushil N. Benke; K. Muruga Poopathi Raja; Hosahudya N. Gopi","Engineering polypeptide folding through trans double bonds: transformation of miniature beta-meanders to hybrid helices","Chem.Commun.","2015","51","","13397","","10.1039/C5cc04523A","","","0.71073","MoKα","","0.0791","0.0542","","","0.128","0.1405","","","","","","0.832","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117656","19.318","0.004","7.0637","0.0014","19.042","0.004","90","","101.007","0.004","90","","2550.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B Cl2 F2 N3 -","- C27 H26 B Cl2 F2 N3 -","- C108 H104 B4 Cl8 F8 N12 -","4","1","","Sisi Wang; Hui Liu; John Mack; Jiangwei Tian; Bin Zou; Hua Lu; Zhifang Li; Jianxiong Jiang; Zhen Shen","A BODIPY-based 'turn-on' fluorescent probe for hypoxic cell imaging","Chem.Commun.","2015","51","","13389","","10.1039/C5cc05139H","","","0.71073","MoKα","","0.1362","0.089","","","0.2616","0.3108","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117657","13.4674","0.0001","13.8265","0.0001","17.2405","0.0001","90","","94.8693","0.0004","90","","3198.72","0.04","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H11 B F20 S -","- C34 H11 B F20 S -","- C136 H44 B4 F80 S4 -","4","1","","Yoshiaki Shoji; Naoki Tanaka; Daisuke Hashizume; Takanori Fukushima","The molecular and electronic structures of a thioaroyl cation formed by borinium ion-mediated C[double bond, length as m-dash]S double bond cleavage of CS2","Chem.Commun.","2015","51","","13342","","10.1039/C5cc05645D","","","0.71073","MoKα","","0.0512","0.0337","","","0.1072","0.1216","","","","","","1.033","","","","has coordinates","153735","2020-10-21","18:00:00",""
"7117658","13.4674","0.0001","13.8265","0.0001","17.2405","0.0001","90","","94.8693","0.0004","90","","3198.72","0.04","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H11 B F20 S -","- C34 H11 B F20 S -","- C136 H44 B4 F80 S4 -","4","1","","Yoshiaki Shoji; Naoki Tanaka; Daisuke Hashizume; Takanori Fukushima","The molecular and electronic structures of a thioaroyl cation formed by borinium ion-mediated C[double bond, length as m-dash]S double bond cleavage of CS2","Chem.Commun.","2015","51","","13342","","10.1039/C5cc05645D","","","0.71073","MoKα","","0.0486","0.0177","","","","0.0283","","","","","","1.569","","","","has coordinates","153735","2020-10-21","18:00:00",""
"7117659","25.72","0.002","21.2708","0.0018","31.007","0.003","90","","96.865","0.0009","90","","16842","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C162 H162 Au13 F18 N4 O2 P13 -","- C162 H162 Au13 F18 N4 O2 P13 -","- C648 H648 Au52 F72 N16 O8 P52 -","4","0.5","","Mizuho Sugiuchi; Yukatsu Shichibu; Takayuki Nakanishi; Yasuchika Hasegawa; Katsuaki Konishi","Cluster-pi electronic interaction in a superatomic Au13 cluster bearing sigma-bonded acetylide ligands","Chem.Commun.","2015","51","","13519","","10.1039/C5cc04312C","","","0.71073","MoKα","","0.1457","0.0651","","","0.1924","0.2604","","","","","","0.945","","","","has coordinates","153763","2020-10-21","18:00:00",""
"7117660","40.9164","0.0006","9.3302","0.0001","27.2353","0.0004","90","","116.922","0.002","90","","9270.5","0.3","123.1","0.6","123.1","0.6","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl2 Mn4 P4 -","- C21 H22 Cl2 Mn4 P4 -","- C336 H352 Cl32 Mn64 P64 -","16","2","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0425","0.039","","","0.101","0.1021","","","","","","0.975","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117661","14.1032","0.0006","12.6047","0.0005","12.7139","0.0004","90","","101.172","0.003","90","","2217.28","0.15","123","0.14","123","0.14","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C20 H20 Br Cu Mn4 P4 -","- C20 H20 Br Cu Mn4 P4 -","- C80 H80 Br4 Cu4 Mn16 P16 -","4","1","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0409","0.0402","","","0.1244","0.1248","","","","","","1.071","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7117662","23.8316","0.0006","12.8659","0.0003","18.4127","0.0004","90","","93.404","0.002","90","","5635.6","0.2","123","0.4","123","0.4","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl5 Cu Mn4 P4 -","- C22 H24 Cl5 Cu Mn4 P4 -","- C176 H192 Cl40 Cu8 Mn32 P32 -","8","1","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0451","0.0414","","","0.1276","0.1294","","","","","","1.096","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117663","11.9099","0.0001","14.821","0.0001","17.9552","0.0002","90","","106.097","0.001","90","","3045.13","0.05","123.05","0.1","123.05","0.1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 Mn5 O2 P4 -","- C28 H27 Cl2 Mn5 O2 P4 -","- C112 H108 Cl8 Mn20 O8 P16 -","4","1","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0329","0.0255","","","0.0561","0.0572","","","","","","0.867","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117664","10.5319","0.0004","10.8158","0.0006","18.0191","0.0008","77.832","0.004","80.265","0.004","85.858","0.004","1976.14","0.16","123","0.1","123","0.1","","","","","","","see text","6","P -1","-P 1","2","","","","- C36 H34 Cl4 Mn6 O4 P4 -","- C36 H34 Cl4 Mn6 O4 P4 -","- C72 H68 Cl8 Mn12 O8 P8 -","2","1","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0448","0.0364","","","0.0886","0.0907","","","","","","0.948","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7117665","10.3548","0.0002","10.5563","0.0001","20.4728","0.0003","79.072","0.001","82.668","0.001","83.529","0.001","2170.28","0.06","123.01","0.1","123.01","0.1","","","","","","","see text","6","P -1","-P 1","2","","","","- C85 H76 Cl6 Mn14 O12 P8 -","- C85 H76 Cl6 Mn14 O12 P8 -","- C85 H76 Cl6 Mn14 O12 P8 -","1","0.5","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0398","0.0363","","","0.1004","0.1019","","","","","","1.077","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7117666","29.4777","0.0008","11.0635","0.0003","21.2608","0.0006","90","","132.06","0.004","90","","5147.9","0.4","123.01","0.1","123.01","0.1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Cl4 Mn8 O8 P4 -","- C50 H44 Cl4 Mn8 O8 P4 -","- C200 H176 Cl16 Mn32 O32 P16 -","4","0.5","","Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer","The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds","Chem.Commun.","2015","51","","13474","","10.1039/C5cc04800A","","x-ray","1.54178","CuKα","","0.0343","0.0267","","","0.0652","0.0667","","","","","","0.988","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117667","8.30101","0.0001","10.28989","0.00017","23.4389","0.0003","90","","90","","90","","2002.07","0.05","150","0.14","150","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2S,3R)-3-(3-bromophenyl)-2-cyano-2-(phenylsulfonyl)cyclopropane-1,1-dicarboxylate","","- C20 H16 Br N O6 S -","- C20 H16 Br N O6 S -","- C80 H64 Br4 N4 O24 S4 -","4","1","","Lewis S. Aitken; Lisa E. Hammond; Rajkumar Sundaram; Kenneth Shankland; Geoffrey D. Brown; Alexander J. A. Cobb","Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to delta^3^-amino acids","Chem.Commun.","2015","51","","13558","","10.1039/C5cc05158D","","x-ray","0.71073","MoKα","","0.0455","0.0372","","","0.0707","0.073","","","","","","1.086","","","","has coordinates","153765","2020-10-21","18:00:00",""
"7117668","16.1385","0.0009","14.1014","0.0009","8.2801","0.0004","90","","90","","90","","1884.35","0.18","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H26 B F4 N Ru -","- C18 H26 B F4 N Ru -","- C72 H104 B4 F16 N4 Ru4 -","4","1","","Andrey I. Konovalov; Evgeniya O. Gorbacheva; Fedor M. Miloserdov; Vladimir V. Grushin","Ruthenium-catalyzed nucleophilic fluorination of halobenzenes","Chem.Commun.","2015","51","","13527","","10.1039/C5cc05436B","","","0.71073","MoKα","","0.0616","0.0472","","","0.119","0.1289","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117669","7.7718","0.0008","5.5207","0.0005","11.7443","0.0011","90","","91.969","0.002","90","","503.6","0.08","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C24 H22 N2 O4 -","2","1","","Dipak Kumar Tiwari; Jaya Pogula; B. Sridhar; Dharmendra Kumar Tiwari; Pravin R. Likhar","Nano-copper catalysed highly regioselective synthesis of 2,4-disubstituted pyrroles from terminal alkynes and isocyanides","Chem.Commun.","2015","51","","13646","","10.1039/C5cc04166J","","","0.71073","MoKα","","0.0316","0.031","","","0.0846","0.0854","","","","","","1.081","","","","has coordinates","153767","2020-10-21","18:00:00",""
"7117670","5.3126","0.0008","9.6321","0.0013","18.149","0.003","90","","92.117","0.009","90","","928.1","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6-Bromo-2-(hydroxy-phenyl-methyl)-2H-quinoline-1-carboxylic acid ethyl ester","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C40 H40 Br2 N2 O6 -","2","1","","Francesco Berti; Federico Malossi; Fabio Marchetti; Mauro Pineschi","A highly enantioselective Mannich reaction of aldehydes with cyclic N-acyliminium ions by synergistic catalysis","Chem.Commun.","2015","51","","13694","","10.1039/C5cc04416B","","","0.71073","MoKα","","0.0458","0.0329","","","0.0718","0.0771","","","","","","0.969","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117671","7.0148","0.0004","7.0148","0.0004","7.5655","0.0007","90","","90","","90","","372.28","0.05","298","","298","","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C8 H8 F6 N4 Ni O2 Si -","- C8 H8 F6 N4 Ni O2 Si -","- C8 H8 F6 N4 Ni O2 Si -","1","0.0625","","Osama Shekhah; Youssef Belmabkhout; Karim Adil; Prashant M. Bhatt; Amy J. Cairns; Mohamed Eddaoudi","A facile solvent-free synthesis route for the assembly of a highly CO2 selective and H2S tolerant NiSIFSIX metal-organic framework","Chem.Commun.","2015","51","","13595","","10.1039/C5cc04487A","powder diffraction","","1.5418","CuKα","","","","","","","","","11.0942","134","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117672","26.6229","0.0004","10.0005","0.0002","13.9461","0.0002","90","","93.414","0.001","90","","3706.45","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl2 Hg N2 S2 -","- C18 H16 Cl2 Hg N2 S2 -","- C144 H128 Cl16 Hg8 N16 S16 -","8","1","","Hui Xue; Feilong Jiang; Qihui Chen; Daqiang Yuan; Jiandong Pang; Guangxun Lv; Xiuyan Wan; Linfeng Liang; Maochun Hong","Conformation driven in situ interlock: from discrete metallocycles to infinite polycatenanes","Chem.Commun.","2015","51","","13706","","10.1039/C5cc04854K","","","1.54184","CuKα","","0.0386","0.0358","","","0.094","0.0967","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117673","23.7546","0.0004","9.6388","0.0002","18.5295","0.0003","90","","93.688","0.002","90","","4233.84","0.13","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Ag F3 N2 O3 S3 -","- C19 H16 Ag F3 N2 O3 S3 -","- C152 H128 Ag8 F24 N16 O24 S24 -","8","1","","Hui Xue; Feilong Jiang; Qihui Chen; Daqiang Yuan; Jiandong Pang; Guangxun Lv; Xiuyan Wan; Linfeng Liang; Maochun Hong","Conformation driven in situ interlock: from discrete metallocycles to infinite polycatenanes","Chem.Commun.","2015","51","","13706","","10.1039/C5cc04854K","","","1.54184","CuKα","","0.0348","0.028","","","0.0676","0.0722","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117674","8.5494","0.0002","18.8079","0.0004","13.9638","0.0003","90","","99.017","0.002","90","","2217.58","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N3 S2 Zn -","- C20 H19 Cl2 N3 S2 Zn -","- C80 H76 Cl8 N12 S8 Zn4 -","4","1","","Hui Xue; Feilong Jiang; Qihui Chen; Daqiang Yuan; Jiandong Pang; Guangxun Lv; Xiuyan Wan; Linfeng Liang; Maochun Hong","Conformation driven in situ interlock: from discrete metallocycles to infinite polycatenanes","Chem.Commun.","2015","51","","13706","","10.1039/C5cc04854K","","","0.71073","MoKα","","0.0335","0.029","","","0.0694","0.0722","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117675","26.4973","0.0008","10.4756","0.0003","14.4782","0.0004","90","","94.642","0.003","90","","4005.6","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Hg I2 N2 S2 -","- C18 H12 Hg I2 N2 S2 -","- C144 H96 Hg8 I16 N16 S16 -","8","1","","Hui Xue; Feilong Jiang; Qihui Chen; Daqiang Yuan; Jiandong Pang; Guangxun Lv; Xiuyan Wan; Linfeng Liang; Maochun Hong","Conformation driven in situ interlock: from discrete metallocycles to infinite polycatenanes","Chem.Commun.","2015","51","","13706","","10.1039/C5cc04854K","","","1.54184","CuKα","","0.0511","0.0424","","","0.1094","0.1167","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117676","10.6758","0.0014","9.3185","0.0008","25.405","0.003","90","","99.557","0.013","90","","2492.3","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H22 Br F3 O4 -","- C28 H22 Br F3 O4 -","- C112 H88 Br4 F12 O16 -","4","2","","Bjarke S. Donslund; Alicia Monleon; Jesper Larsen; Lise Ibsen; Karl Anker Jorgensen","The stereoselective formation of highly substituted CF3-dihydropyrans as versatile building blocks","Chem.Commun.","2015","51","","13666","","10.1039/C5cc04874E","","x-ray","0.71073","MoKα","","0.2437","0.1093","","","0.215","0.2913","","","","","","1.02","","","","has coordinates","153771","2020-10-21","18:00:00",""
"7117677","9.671","0.003","10.892","0.003","21.822","0.006","90","","90","","90","","2298.7","1.1","295.03","0.1","295.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 O3 -","- C24 H22 Br F3 O3 -","- C96 H88 Br4 F12 O12 -","4","1","","Bjarke S. Donslund; Alicia Monleon; Jesper Larsen; Lise Ibsen; Karl Anker Jorgensen","The stereoselective formation of highly substituted CF3-dihydropyrans as versatile building blocks","Chem.Commun.","2015","51","","13666","","10.1039/C5cc04874E","","x-ray","0.71073","MoKα","","0.1616","0.0803","","","0.1542","0.1943","","","","","","1.038","","","","has coordinates","153771","2020-10-21","18:00:00",""
"7117678","9.687","0.013","10.731","0.008","12.624","0.012","99.142","0.009","109.67","0.04","102.46","0.02","1168","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","1.54187","CuKα","","","0.0524","","","","0.1549","","","","","","0.986","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117679","10.689","0.005","16.049","0.006","16.697","0.007","90","","103.962","0.009","90","","2780","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F3 N O7 S2 -","- C28 H26 F3 N O7 S2 -","- C112 H104 F12 N4 O28 S8 -","4","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","1.5419","CuKα","","","0.0358","","","","0.1013","","","","","","1.078","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117680","7.466","0.008","13.997","0.009","20.362","0.012","90","","90","","90","","2128","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C92 H108 N4 O20 S4 -","4","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","1.5419","CuKα","","","0.0351","","","","0.1143","","","","","","1.119","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117681","13.648","0.005","8.763","0.003","14.28","0.006","90","","91.288","0.011","90","","1707.4","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","1.5419","CuKα","","","0.0578","","","","0.2492","","","","","","1.174","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117682","8.2174","0.0011","25.204","0.004","10.5671","0.0016","90","","95.161","0.003","90","","2179.7","0.6","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","0.7107","MoKα","","0.0512","0.0476","","","0.1214","0.1246","","","","","","1.039","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117683","8.05","0.002","16.385","0.004","18.274","0.005","94.603","0.004","93.801","0.005","94.487","0.004","2388.8","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N O4 S -","- C27 H29 N O4 S -","- C108 H116 N4 O16 S4 -","4","2","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","0.7107","MoKα","","","0.0475","","","","0.1255","","","","","","0.993","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117684","11.2948","0.0007","16.3779","0.001","19.5856","0.0012","90","","103.789","0.003","90","","3518.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ABB_65","","- C42 H46 N2 O2 -","- C42 H46 N2 O2 -","- C168 H184 N8 O8 -","4","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.0575","0.0448","","","0.1027","0.1104","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117685","15.3406","0.0003","16.1078","0.0003","22.8598","0.0005","90","","90","","90","","5648.7","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ABB_AL_81","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.0552","0.046","","","0.1054","0.1108","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117686","22.1106","0.0011","8.5517","0.0004","15.1278","0.0007","90","","93.349","0.003","90","","2855.5","0.2","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ABB_AL_128","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.1175","0.0907","","","0.2217","0.2444","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117687","12.1048","0.0002","16.0393","0.0003","21.3761","0.0004","90","","90","","90","","4150.22","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","ABB_AL_125","","- C43 H51 B Cl2 F4 N2 O -","- C43 H51 B Cl2 F4 N2 O -","- C172 H204 B4 Cl8 F16 N8 O4 -","4","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.0419","0.0384","","","0.0805","0.0824","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117688","13.2188","0.0009","16.6509","0.001","19.82","0.0012","68.92","0.004","86.793","0.004","67.534","0.004","3744.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","AL_116_R","","- C43 H48 Cl0.5 N3.5 O2.5 -","- C43 H48 Cl0.5 N3.5 O2.5 -","- C172 H192 Cl2 N14 O10 -","4","2","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.1537","0.097","","","0.1854","0.2105","","","","","","1.108","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117689","33.04","0.003","21.838","0.0018","7.2037","0.0007","90","","95.946","0.009","90","","5169.7","0.8","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","EH-ICor-2CN","","- C32 H23 N3 O2 -","- C32 H23 N3 O2 -","- C256 H184 N24 O16 -","8","1","","Rui Chen; Ru-Qiang Lu; Ke Shi; Fan Wu; Hong-Xun Fang; Zhe-Xuan Niu; Xiao-Yun Yan; Ming Luo; Xin-Chang Wang; Chi-Yuan Yang; Xiao-Ye Wang; Binbin Xu; Haiping Xia; Jian Pei; Xiao-Yu Cao","Corannulene derivatives with low LUMO levels and dense convex-concave packing for n-channel organic field-effect transistors","Chem.Commun.","2015","51","","13768","","10.1039/C5cc03550C","","","0.71073","MoKα","","0.1949","0.1191","","","0.3431","0.391","","","","","","1.116","","","","has coordinates,has disorder","153813","2020-10-21","18:00:00",""
"7117690","7.2119","0.0004","21.7175","0.0015","31.966","0.002","90","","95.488","0.006","90","","4983.7","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","C6-ICor-2CN","","- C30 H19 N3 O2 -","- C30 H19 N3 O2 -","- C240 H152 N24 O16 -","8","1","","Rui Chen; Ru-Qiang Lu; Ke Shi; Fan Wu; Hong-Xun Fang; Zhe-Xuan Niu; Xiao-Yun Yan; Ming Luo; Xin-Chang Wang; Chi-Yuan Yang; Xiao-Ye Wang; Binbin Xu; Haiping Xia; Jian Pei; Xiao-Yu Cao","Corannulene derivatives with low LUMO levels and dense convex-concave packing for n-channel organic field-effect transistors","Chem.Commun.","2015","51","","13768","","10.1039/C5cc03550C","","x-ray","1.54184","CuKα","","0.0862","0.0776","","","0.1974","0.2105","","","","","","1.014","","","","has coordinates","153813","2020-10-21","18:00:00",""
"7117691","10.1387","0.0005","14.5652","0.0008","15.407","0.0008","109.721","0.003","103.913","0.002","101.78","0.002","1974.97","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H86 F4 N2 Sn2 -","- C95.988 H85.99 F3.998 N2 Sn2 -","- C95.988 H85.99 F3.998 N2 Sn2 -","1","0.5","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.0667","0.0421","","","0.082","0.0945","","","","","","1.068","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117692","10.3114","0.0006","12.6833","0.0006","14.8438","0.0006","101.757","0.003","90.344","0.002","99.28","0.003","1874.19","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H86 N2 Sn2 -","- C94 H86 N2 Sn2 -","- C94 H86 N2 Sn2 -","1","0.5","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.0623","0.0418","","","0.0974","0.1079","","","","","","1.03","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117693","10.5945","0.0002","12.3644","0.0003","12.5871","0.0003","98.608","0.001","105.285","0.001","100.205","0.001","1531.5","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Cl2 N2 Sb2 -","- C72 H66 Cl2 N2 Sb2 -","- C72 H66 Cl2 N2 Sb2 -","1","0.5","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.0636","0.044","","","0.0608","0.0686","","","","","","1.096","","","","has coordinates","153814","2020-10-21","18:00:00",""
"7117694","16.2248","0.0008","10.8555","0.0005","26.4376","0.0012","90","","106.24","0.001","90","","4470.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl4 F2 N Sb2 -","- C47.994 H42.995 Cl4 F1.999 N Sb2 -","- C191.976 H171.98 Cl16 F7.996 N4 Sb8 -","4","1","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.0665","0.0379","","","0.083","0.0952","","","","","","1.023","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117695","10.519","0.0009","14.7566","0.0011","22.9059","0.0019","75.62","0.002","86.231","0.002","80.569","0.002","3396.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 Bi Cl7 N2 Sn -","- C74 H70 Bi Cl7 N2 Sn -","- C148 H140 Bi2 Cl14 N4 Sn2 -","2","1","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.0946","0.0459","","","0.0741","0.0873","","","","","","1.004","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117696","21.3654","0.0009","31.1166","0.0011","10.7124","0.0004","90","","90","","90","","7121.8","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C84 H76 Bi Cl3 F2 N2 Sn -","- C84 H76 Bi Cl3 F2 N2 Sn -","- C336 H304 Bi4 Cl12 F8 N8 Sn4 -","4","1","","C. Hering-Junghans; A. Schulz; A. Villinger","A neutral low-coordinate heterocyclic bismuth-in species","Chem.Commun.","2015","51","","13834","","10.1039/C5cc04516A","","","0.71073","MoKα","","0.1493","0.0663","","","0.099","0.1232","","","","","","0.98","","","","has coordinates,has disorder","153814","2020-10-21","18:00:00",""
"7117697","4.5302","0.0002","10.3934","0.0005","14.1186","0.0006","81.405","0.002","86.591","0.002","82.721","0.002","651.44","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","PyDTI-C8","","- C26 H36 N2 S4 -","- C26 H36 N2 S4 -","- C26 H36 N2 S4 -","1","0.5","","Te-Fang Yang; Sheng-Han Huang; Yi-Pang Chiu; Bo-Hsiang Chen; Yu-Wei Shih; Yu-Chang Chang; Jie-Yi Yao; Yao-Jen Lee; Ming-Yu Kuo","Pyromellitic dithioimides: thionation improves air-stability and electron mobility of N-type organic field-effect transistors","Chem.Commun.","2015","51","","13772","","10.1039/C5cc04674B","","","0.71073","MoKα","","0.0409","0.0339","","","0.0755","0.0785","","","","","","1.047","","","","has coordinates","153815","2020-10-21","18:00:00",""
"7117698","8.0274","0.0005","8.1297","0.0005","14.6961","0.0008","76.433","0.001","74.709","0.001","85.528","0.001","899.17","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Methyl-1-(methylsulfonyl)-3-phenyl-5-(phenylsulfonylmethyl)-1H-pyrrole","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C38 H38 N2 O8 S4 -","2","1","","Sridhar Undeela; Srinivas Thadkapally; Jagadeesh Babu Nanubolu; Kiran Kumar Singarapu; Rajeev S. Menon","Catalyst-controlled divergence in cycloisomerisation reactions of N-propargyl-N-vinyl sulfonamides: gold-catalysed synthesis of 2-sulfonylmethyl pyrroles and dihydropyridines","Chem.Commun.","2015","51","","13748","","10.1039/C5cc04871K","","","0.71073","MoKα","","0.0382","0.0354","","","0.0935","0.096","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117699","5.8666","0.0005","11.4535","0.001","12.2113","0.0012","83.981","0.008","81.526","0.008","76.578","0.008","787.26","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C44 H28 N4 -","2","1","","Gopal Chandru Senadi; Wan-Ping Hu; Amol Milind Garkhedkar; Siva Senthil Kumar Boominathan; Jeh-Jeng Wang","Palladium(II)-catalysed regioselective synthesis of 3,4-disubstituted quinolines and 2,3,5-trisubstituted pyrroles from alkenes via anti-Markovnikov selectivity","Chem.Commun.","2015","51","","13795","","10.1039/C5cc05196G","","x-ray","0.71073","MoKα","","0.0837","0.0539","","","0.1098","0.1347","","","","","","1.033","","","","has coordinates","153818","2020-10-21","18:00:00",""
"7117700","10.0557","0.001","10.3647","0.0011","15.6302","0.0017","90","","97.658","0.004","90","","1614.5","0.3","152","2","152","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","1","","Gopal Chandru Senadi; Wan-Ping Hu; Amol Milind Garkhedkar; Siva Senthil Kumar Boominathan; Jeh-Jeng Wang","Palladium(II)-catalysed regioselective synthesis of 3,4-disubstituted quinolines and 2,3,5-trisubstituted pyrroles from alkenes via anti-Markovnikov selectivity","Chem.Commun.","2015","51","","13795","","10.1039/C5cc05196G","","x-ray","0.71073","MoKα","","0.0521","0.038","","","0.0943","0.1097","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117701","11.476","0.0011","6.7685","0.0005","15.8831","0.0016","90","","106.572","0.01","90","","1182.5","0.2","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 -","- C16 H10 N2 -","- C64 H40 N8 -","4","1","","Gopal Chandru Senadi; Wan-Ping Hu; Amol Milind Garkhedkar; Siva Senthil Kumar Boominathan; Jeh-Jeng Wang","Palladium(II)-catalysed regioselective synthesis of 3,4-disubstituted quinolines and 2,3,5-trisubstituted pyrroles from alkenes via anti-Markovnikov selectivity","Chem.Commun.","2015","51","","13795","","10.1039/C5cc05196G","","x-ray","0.71073","MoKα","","0.1032","0.055","","","0.1158","0.1447","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117702","13.1944","0.0009","9.7945","0.001","14.6162","0.001","90","","100.206","0.007","90","","1859","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O -","- C24 H16 N2 O -","- C96 H64 N8 O4 -","4","1","","Gopal Chandru Senadi; Wan-Ping Hu; Amol Milind Garkhedkar; Siva Senthil Kumar Boominathan; Jeh-Jeng Wang","Palladium(II)-catalysed regioselective synthesis of 3,4-disubstituted quinolines and 2,3,5-trisubstituted pyrroles from alkenes via anti-Markovnikov selectivity","Chem.Commun.","2015","51","","13795","","10.1039/C5cc05196G","","x-ray","0.71073","MoKα","","0.1403","0.0623","","","0.1157","0.1476","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117703","18.7521","0.0004","23.0271","0.0004","25.3314","0.0004","90","","89.8645","0.0019","90","","10938.2","0.3","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21 1","P 2yb","4","","S-2c","","- C94 H116 N8 O17 -","- C94 H116 N8 O17 -","- C376 H464 N32 O68 -","4","2","","Hanna Jedrzejewska; Marcin Kwit; Agnieszka Szumna","Switching of inherent chirality driven by self-assembly","Chem.Commun.","2015","51","","13799","","10.1039/C5cc05728K","","","1.54184","CuKα","","0.0991","0.0677","","","0.1667","0.1843","","","","","","0.907","","","","has coordinates,has disorder","153819","2020-10-21","18:00:00",""
"7117704","17.5189","0.0005","24.8676","0.001","25.0737","0.0007","60.828","0.004","74.889","0.003","72.982","0.003","9028.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe11 H78 Na27 O258 Sb6 W60 -","- Fe11 Na27 O258 Sb6 W60 -","- Fe11 Na27 O258 Sb6 W60 -","1","0.5","","Xiaoqiang Du; Yong Ding; Fangyuan Song; Baochun Ma; Junwei Zhao; Jie Song","Efficient photocatalytic water oxidation catalyzed by polyoxometalate [Fe11(H2O)14(OH)2(W3O10)2(alpha-SbW9O33)6]^27-^ based on abundant metals","Chem.Commun.","2015","51","","13925","","10.1039/C5cc04551G","","","0.71073","MoKα","","0.1095","0.075","","","0.1931","0.218","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117705","15.137","0.003","14.675","0.003","13.735","0.003","90","","114.58","0.03","90","","2774.6","1.2","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 F12 N4 O2.93 P2 -","- C50 H70 F12 N4 O2.928 P2 -","- C100 H140 F24 N8 O5.856 P4 -","2","0.5","","Saioa Cobo; Frederic Lafolet; Eric Saint-Aman; Christian Philouze; Christophe Bucher; Serena Silvi; Alberto Credi; Guy Royal","Reactivity of a pyridinium-substituted dimethyldihydropyrene switch under aerobic conditions: self-sensitized photo-oxygenation and thermal release of singlet oxygen","Chem.Commun.","2015","51","","13886","","10.1039/C5cc04763C","","x-ray","0.71073","MoKα","","0.1195","0.0762","","","0.204","0.2361","","","","","","1.053","","","","has coordinates,has disorder","153826","2020-10-21","18:00:00",""
"7117706","13.1652","0.001","12.2178","0.0009","20.8109","0.0016","90","","107.514","0.001","90","","3192.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Br2 Fe N2 -","- C39 H32 Br2 Fe N2 -","- C156 H128 Br8 Fe4 N8 -","4","1","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0522","0.0363","","","0.0839","0.0901","","","","","","1.034","","","","has coordinates","153827","2020-10-21","18:00:00",""
"7117707","21.2714","0.0004","16.1257","0.0003","24.0679","0.0004","90","","99.18","0.002","90","","8149.9","0.3","103","4","103","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H55 Fe N2 Na O3 -","- C47 H55 Fe N2 Na O3 -","- C376 H440 Fe8 N16 Na8 O24 -","8","2","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.091","0.0625","","","0.1345","0.1478","","","","","","1.026","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7117708","25.8932","0.0004","14.78371","0.00018","13.25563","0.00018","90","","90","","90","","5074.22","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C67.63 H55.63 Fe3 N4 O0.63 -","- C67.628 H55.628 Fe3 N4 O0.628 -","- C270.512 H222.512 Fe12 N16 O2.512 -","4","1","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0634","0.0521","","","0.1125","0.1168","","","","","","1.111","","","","has coordinates,has disorder","153827","2020-10-21","18:00:00",""
"7117709","26.9704","0.0003","17.93806","0.00019","21.5915","0.0002","90","","90","","90","","10445.9","0.19","100","0.2","100","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C274 H230 Fe4 N16 O3 -","- C274 H230 Fe4 N16 O3 -","- C548 H460 Fe8 N32 O6 -","2","0.5","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0641","0.0529","","","0.1203","0.1259","","","","","","1.069","","","","has coordinates,has disorder","153827","2020-10-21","18:00:00",""
"7117710","10.4488","0.0004","12.4887","0.0006","13.5525","0.0006","71.996","0.004","79.884","0.003","82.754","0.004","1650.87","0.13","100","0.1","100","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C44 H44 -","- C44 H44 -","- C88 H88 -","2","1","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0972","0.0635","","","0.1174","0.1356","","","","","","1.048","","","","has coordinates","153827","2020-10-21","18:00:00",""
"7117711","10.1232","0.0003","14.1732","0.0005","15.1866","0.0005","103.795","0.003","93.762","0.003","92.887","0.003","2106.63","0.12","104.99","0.1","104.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C58 H47 Fe N2 -","- C58 H47 Fe N2 -","- C116 H94 Fe2 N4 -","2","1","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0595","0.0488","","","0.1127","0.1186","","","","","","1.075","","","","has coordinates","153827","2020-10-21","18:00:00",""
"7117712","8.9045","0.0008","8.871","0.0008","17.5783","0.0016","90","","96.259","0.002","90","","1380.3","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C72 H68 N4 O4 -","2","0.5","","C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher","Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster","Chem.Commun.","2015","51","","13890","","10.1039/C5cc04908C","","","0.71073","MoKα","","0.0471","0.0381","","","0.0962","0.1019","","","","","","1.032","","","","has coordinates","153827","2020-10-21","18:00:00",""
"7117713","6.0589","0.0004","8.071","0.0005","15.6647","0.001","100.41","0.004","96.485","0.004","93.141","0.004","746.38","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Isai Ramakrishna; Gowri Sankar Grandhi; Harekrishna Sahoo; Mahiuddin Baidya","The Mukaiyama aldol reaction of in situ generated nitrosocarbonyl compounds: selective C-N bond formation and N-O bond cleavage in one-pot for alpha-amination of ketones","Chem.Commun.","2015","51","","13976","","10.1039/C5cc05459A","","","0.71073","MoKα","","0.0792","0.0663","","","0.1884","0.1986","","","","","","1.096","","","","has coordinates","153828","2020-10-21","18:00:00",""
"7117714","8.6581","0.0005","11.8588","0.0008","14.7395","0.001","101.56","0.003","104.761","0.002","90.004","0.003","1431.65","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl3 N O3 -","- C12 H12 Cl3 N O3 -","- C48 H48 Cl12 N4 O12 -","4","2","","Isai Ramakrishna; Gowri Sankar Grandhi; Harekrishna Sahoo; Mahiuddin Baidya","The Mukaiyama aldol reaction of in situ generated nitrosocarbonyl compounds: selective C-N bond formation and N-O bond cleavage in one-pot for alpha-amination of ketones","Chem.Commun.","2015","51","","13976","","10.1039/C5cc05459A","","","0.71073","MoKα","","0.1316","0.0615","","","0.1122","0.1409","","","","","","0.965","","","","has coordinates","153828","2020-10-21","18:00:00",""
"7117715","6.0347","0.0002","11.3911","0.0004","13.0283","0.0004","67.611","0.002","89.839","0.002","85.877","0.002","825.64","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl3 N O3 -","- C15 H16 Cl3 N O3 -","- C30 H32 Cl6 N2 O6 -","2","1","","Isai Ramakrishna; Gowri Sankar Grandhi; Harekrishna Sahoo; Mahiuddin Baidya","The Mukaiyama aldol reaction of in situ generated nitrosocarbonyl compounds: selective C-N bond formation and N-O bond cleavage in one-pot for alpha-amination of ketones","Chem.Commun.","2015","51","","13976","","10.1039/C5cc05459A","","","0.71073","MoKα","","0.0417","0.0368","","","0.0859","0.0901","","","","","","1.042","","","","has coordinates","153828","2020-10-21","18:00:00",""
"7117716","11.5083","0.0008","13.3657","0.0009","9.5834","0.0006","90","","90","","90","","1474.08","0.17","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Isai Ramakrishna; Gowri Sankar Grandhi; Harekrishna Sahoo; Mahiuddin Baidya","The Mukaiyama aldol reaction of in situ generated nitrosocarbonyl compounds: selective C-N bond formation and N-O bond cleavage in one-pot for alpha-amination of ketones","Chem.Commun.","2015","51","","13976","","10.1039/C5cc05459A","","","0.71073","MoKα","","0.0747","0.0448","","","0.0976","0.1135","","","","","","1.013","","","","has coordinates","153828","2020-10-21","18:00:00",""
"7117717","10.1194","0.0014","11.6313","0.0016","12.1672","0.0017","90","","90","","90","","1432.1","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S2 -","- C14 H20 O2 S2 -","- C56 H80 O8 S8 -","4","1","","Amol P. Jadhav; V. U. Bhaskara Rao; Pradeep Singh; R. G. Gonnade; Ravi P. Singh","Asymmetric vinylogous Michael reaction of cyclic enones with silyloxy furans","Chem.Commun.","2015","51","","13941","","10.1039/C5cc05617A","","","0.71073","MoKα","","0.0451","0.0404","","","0.089","0.091","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117718","6.6349","0.0002","8.9609","0.0003","21.6859","0.0006","90","","90","","90","","1289.33","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S2 -","- C13 H18 O2 S2 -","- C52 H72 O8 S8 -","4","1","","Amol P. Jadhav; V. U. Bhaskara Rao; Pradeep Singh; R. G. Gonnade; Ravi P. Singh","Asymmetric vinylogous Michael reaction of cyclic enones with silyloxy furans","Chem.Commun.","2015","51","","13941","","10.1039/C5cc05617A","","","0.71073","MoKα","","0.0257","0.0252","","","0.0624","0.0626","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117719","14.1777","0.0006","20.5414","0.0009","24.643","0.001","71.116","0.001","78.71","0.002","76.663","0.002","6549.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H113 F27 N4 O18 P4.5 -","- C105 H113 F27 N4 O18 P4.5 -","- C210 H226 F54 N8 O36 P9 -","2","1","","Wei-Bo Hu; Wen-Jing Hu; Xiao-Li Zhao; Yahu A. Liu; Jiu-Sheng Li; Biao Jiang; Ke Wen","A [2]rota[2]catenane, constructed from a pillar[5]arene-crown ether fused double-cavity macrocycle: synthesis and structural characterization","Chem.Commun.","2015","51","","13882","","10.1039/C5cc05623C","","","0.71073","MoKα","","0.1707","0.107","","","0.2908","0.328","","","","","","0.982","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117720","20.5486","0.0017","21.3959","0.0019","24.984","0.002","65.622","0.001","74.313","0.001","66.014","0.002","9071.3","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H205 F30 N8 O26 P5 -","- C166 H205 F21 N8 O26 P3.5 -","- C332 H410 F42 N16 O52 P7 -","2","1","","Wei-Bo Hu; Wen-Jing Hu; Xiao-Li Zhao; Yahu A. Liu; Jiu-Sheng Li; Biao Jiang; Ke Wen","A [2]rota[2]catenane, constructed from a pillar[5]arene-crown ether fused double-cavity macrocycle: synthesis and structural characterization","Chem.Commun.","2015","51","","13882","","10.1039/C5cc05623C","","","0.71073","MoKα","","0.1918","0.1115","","","0.3021","0.3579","","","","","","1.027","","","","has coordinates,has disorder","153830","2020-10-21","18:00:00",""
"7117721","22.018","0.001","20.783","0.001","37.062","0.001","90","","94.845","0.001","90","","16899","1.2","90","2","90","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C199 H189 N23 O53 Zn11 -","- C184 H150 N18 O48 Zn11 -","- C368 H300 N36 O96 Zn22 -","2","0.5","","S. A. Sapchenko; D. N. Dybtsev; D. G. Samsonenko; R. V. Belosludov; V. R. Belosludov; Y. Kawazoe; M. Schroder; V. P. Fedin","Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study","Chem.Commun.","2015","51","","13918","","10.1039/C5cc05779E","","x-ray","0.9","synchrotron","","0.0912","0.0788","","","0.2235","0.2339","","","","","","1.017","","","","has coordinates,has disorder","153831","2020-10-21","18:00:00",""
"7117722","6.2454","0.001","7.9709","0.0013","30.185","0.005","90","","90","","90","","1502.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.1051","0.0513","","","0.1068","0.1271","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117723","41.536","0.006","9.8916","0.0015","25.763","0.004","90","","93.59","0.003","90","","10564","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27.5 N O5.25 S -","- C30 H27.5 N O5.25 S -","- C480 H440 N16 O84 S16 -","16","2","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.1122","0.0643","","","0.1543","0.1818","","","","","","1.017","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117724","11.0389","0.0009","13.5784","0.0011","24.5769","0.0019","87.24","0.002","84.094","0.002","69.682","0.002","3436","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C144 H138 N6 O30 S6 -","6","3","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.1273","0.0622","","","0.1475","0.1826","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117725","8.4273","0.0017","18.696","0.005","14.628","0.003","90","","96.208","0.005","90","","2291.2","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.0815","0.0527","","","0.1089","0.1245","","","","","","0.968","","","","has coordinates","153832","2020-10-21","18:00:00",""
"7117726","12.5654","0.0009","18.5476","0.0013","18.7414","0.0013","90","","90","","90","","4367.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C192 H184 N8 O40 S8 -","8","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.0642","0.0489","","","0.121","0.1315","","","","","","1.063","","","","has coordinates","153832","2020-10-21","18:00:00",""
"7117727","12.5847","0.0012","17.5982","0.0016","20.1268","0.0018","90","","92.772","0.002","90","","4452.2","0.7","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C200 H208 N16 O32 S8 -","8","2","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.118","0.0565","","","0.121","0.1473","","","","","","1.007","","","","has coordinates","153832","2020-10-21","18:00:00",""
"7117728","18.1593","0.0016","10.1358","0.0009","15.6691","0.0013","90","","91.647","0.002","90","","2882.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N2 O6 S2 -","- C31 H29 N2 O6 S2 -","- C124 H116 N8 O24 S8 -","4","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.1249","0.0529","","","0.1261","0.159","","","","","","0.986","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7117729","15.608","0.0009","15.7058","0.0009","22.744","0.0013","88.97","0.001","80.503","0.001","77.211","0.001","5361.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H81.75 Eu F9 N23.25 O27 S3 -","- C94.5 H81.75 Eu F9 N23.25 O27 S3 -","- C189 H163.5 Eu2 F18 N46.5 O54 S6 -","2","1","","Eoin P. McCarney; Joseph P. Byrne; Brendan Twamley; Miguel Martinez-Calvo; Gavin Ryan; Matthias E. Mobius; Thorfinnur Gunnlaugsson","Self-assembly formation of a healable lanthanide luminescent supramolecular metallogel from 2,6-bis(1,2,3-triazol-4-yl)pyridine (btp) ligands","Chem.Commun.","2015","51","","14123","","10.1039/C5cc03139G","","","0.71073","MoKα","","0.0817","0.0626","","","0.166","0.1816","","","","","","1.063","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117730","10.918","0.0012","16.0878","0.0017","39.16","0.004","90","","90","","90","","6878.3","1.3","100","2","100","2","","","","","","","Synthesized chemically by authors","7","P b c a","-P 2ac 2ab","61","","[(Bis(2-phenyl-pyridine))(1-Pyrazin-2-yl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)]iridium(III) hexafluorophosphate dichloromethane","","- C34 H33 Cl2 F6 Ir N7 P -","- C34 H33 Cl2 F6 Ir N7 P -","- C272 H264 Cl16 F48 Ir8 N56 P8 -","8","1","","Kamrul Hasan; Amlan K. Pal; Thomas Auvray; Eli Zysman-Colman; Garry S. Hanan","Blue-green emissive cationic iridium(III) complexes using partially saturated strongly-donating guanidyl-pyridine/-pyrazine ancillary ligands","Chem.Commun.","2015","51","","14060","","10.1039/C5cc04069H","","","1.34139","GaKα","","0.0843","0.0787","","","0.1849","0.1875","","","","","","1.241","","","","has coordinates","153891","2020-10-21","18:00:00",""
"7117731","13.281","0.003","26.435","0.007","28.814","0.007","90","","94.579","0.005","90","","10084","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H122.5 Cl10.5 Mg2 N13 O2.5 -","- C90 H109 Mg2 N13 -","- C360 H436 Mg8 N52 -","4","1","","Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath","Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers","Chem.Commun.","2015","51","","14107","","10.1039/C5cc04882F","","","0.71073","MoKα","","0.2385","0.0898","","","0.1894","0.2392","","","","","","0.75","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117732","13.848","0.005","16.029","0.005","19.255","0.005","96.237","0.005","97.714","0.005","105.938","0.005","4025","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C177 H219 Cl3 Mg4 N26 -","- C177 H219 Cl3 Mg4 N26 -","- C177 H219 Cl3 Mg4 N26 -","1","0.5","","Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath","Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers","Chem.Commun.","2015","51","","14107","","10.1039/C5cc04882F","","","0.71073","MoKα","","0.1418","0.0914","","","0.243","0.2761","","","","","","1.04","","","","has coordinates","153892","2020-10-21","18:00:00",""
"7117733","14.137","0.005","26.982","0.005","25.473","0.005","90","0.005","105.387","0.005","90","0.005","9368","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H121 Cl6 Mg2 N14 O2 -","- C96 H121 Cl6 Mg2 N14 O2 -","- C384 H484 Cl24 Mg8 N56 O8 -","4","1","","Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath","Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers","Chem.Commun.","2015","51","","14107","","10.1039/C5cc04882F","","","0.71073","MoKα","","0.0994","0.0774","","","0.1896","0.2071","","","","","","1.029","","","","has coordinates,has disorder","153892","2020-10-21","18:00:00",""
"7117734","13.267","0.0018","18.521","0.003","20.98","0.003","86.112","0.002","73.433","0.002","69.33","0.002","4620","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H121 Cl4 Mg2 N9 O4 -","- C90 H117 Mg2 N9 O4 -","- C180 H234 Mg4 N18 O8 -","2","1","","Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath","Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers","Chem.Commun.","2015","51","","14107","","10.1039/C5cc04882F","","","0.71073","MoKα","","0.146","0.0856","","","0.2184","0.2511","","","","","","0.926","","","","has coordinates,has disorder","153892","2020-10-21","18:00:00",""
"7117735","12.5292","0.0015","18.424","0.002","10.6894","0.0013","90","","106.109","0.001","90","","2370.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 B11 Cs F9 O9 S3 -","- C4 H9 B11 Cs F9 O9 S3 -","- C16 H36 B44 Cs4 F36 O36 S12 -","4","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0411","0.03","","","0.0634","0.0685","","","","","","1.054","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117736","11.355","0.002","27.735","0.006","13.353","0.003","90","","90","","90","","4205.3","1.5","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C2 H5.94 B11 Br5.06 Cs F3 O3 S -","- C2 H5.942 B11 Br5.058 Cs F3 O3 S -","- C16 H47.536 B88 Br40.464 Cs8 F24 O24 S8 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0693","0.0413","","","0.1016","0.1151","","","","","","1.024","","","","has coordinates,has disorder","153893","2020-10-21","18:00:00",""
"7117737","16.213","0.005","21.072","0.007","17.832","0.006","90","","102.362","0.004","90","","5951","3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B11 Cl10 F3 O3 S Si -","- C8 H16 B11 Cl10 F3 O3 S Si -","- C64 H128 B88 Cl80 F24 O24 S8 Si8 -","8","2","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0834","0.0654","","","0.1599","0.1746","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117738","14.477","0.014","35.02","0.03","26.24","0.03","90","","92.565","0.011","90","","13290","2","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H61 B11 Cl11 F5 O7 P4 Pd2 S -","- C38 H61 B11 Cl11 F5 O7 P4 Pd2 S -","- C304 H488 B88 Cl88 F40 O56 P32 Pd16 S8 -","8","2","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0465","0.0355","","","0.0815","0.0875","","","","","","1.023","","","","has coordinates,has disorder","153893","2020-10-21","18:00:00",""
"7117739","9.327","0.002","20.08","0.005","20.281","0.005","90","","94.518","0.003","90","","3786.5","1.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B11 Cl10 F4 O3 S Si -","- C17 H27 B11 Cl10 F4 O3 S Si -","- C68 H108 B44 Cl40 F16 O12 S4 Si4 -","4","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0486","0.0345","","","0.0831","0.0909","","","","","","1.03","","","","has coordinates,has disorder","153893","2020-10-21","18:00:00",""
"7117740","12.5691","0.0017","22.529","0.003","27.755","0.004","90","","90","","90","","7859.4","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H21 B11 Cl10 F4 O3 S -","- C21 H16 B11 Cl10 F3 O3 S -","- C168 H128 B88 Cl80 F24 O24 S8 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0551","0.038","","","0.099","0.1136","","","","","","1.067","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117741","14.099","0.006","12.676","0.005","28.345","0.012","90","","102.072","0.005","90","","4954","4","150","2","150","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B11 Br Cl10 F4 O5 P2 Pd S -","- C26 H36 B11 Br Cl10 F4 O5 P2 Pd S -","- C104 H144 B44 Br4 Cl40 F16 O20 P8 Pd4 S4 -","4","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.039","0.0279","","","0.0594","0.0634","","","","","","1.023","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117742","12.224","0.003","13.31","0.003","14.337","0.004","72.268","0.002","74.431","0.003","78.566","0.003","2123","0.9","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H31 B11 Cl10 F4 O5 P2 Pd S -","- C20 H31 B11 Cl10 F4 O5 P2 Pd S -","- C40 H62 B22 Cl20 F8 O10 P4 Pd2 S2 -","2","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0306","0.0262","","","0.0637","0.0661","","","","","","1.05","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117743","9.1582","0.001","12.0726","0.0013","20.864","0.002","76.534","0.001","88.597","0.001","78.715","0.001","2199.5","0.4","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H31 B11 Cl11 F O2 P2 Pd -","- C19 H31 B11 Cl11 F O2 P2 Pd -","- C38 H62 B22 Cl22 F2 O4 P4 Pd2 -","2","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0345","0.027","","","0.0635","0.0669","","","","","","1.026","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117744","17.7687","0.0008","15.7898","0.0008","18.9559","0.0008","90","","90","","90","","5318.3","0.4","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C3 H B11 Cl9 Cs F6 O6 S2 -","- C3 H B11 Cl9 Cs F6 O6 S2 -","- C24 H8 B88 Cl72 Cs8 F48 O48 S16 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0615","0.0326","","0.087","0.0699","0.087","","","","","","0.9916","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117745","10.4532","0.0003","11.0258","0.0003","18.1147","0.0007","102.153","0.001","98.067","0.001","96.74","0.001","1997.41","0.11","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Tp*2UF","","- C34 H45 B2 F N12 O U -","- C34 H45 B2 F N12 O U -","- C68 H90 B4 F2 N24 O2 U2 -","2","1","","Christopher L. Clark; Jill J. Lockhart; Phillip E. Fanwick; Suzanne C. Bart","Synthesis of low-valent uranium fluorides by C-F bond activation","Chem.Commun.","2015","51","","14084","","10.1039/C5cc05049A","","","0.71073","MoKα","","0.0589","0.0364","","","0.0732","0.0803","","","","","","0.969","","","","has coordinates","153894","2020-10-21","18:00:00",""
"7117746","11.784","0.0006","22.3831","0.001","17.0603","0.0007","90","","93.165","0.003","90","","4493","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tp*2UF2","","- C30 H43 B2 F2 N12 U -","- C30 H43 B2 F2 N12 U -","- C120 H172 B8 F8 N48 U4 -","4","1","","Christopher L. Clark; Jill J. Lockhart; Phillip E. Fanwick; Suzanne C. Bart","Synthesis of low-valent uranium fluorides by C-F bond activation","Chem.Commun.","2015","51","","14084","","10.1039/C5cc05049A","","","1.54178","CuKα","","0.0977","0.0634","","","0.1728","0.1879","","","","","","0.982","","","","has coordinates","153894","2020-10-21","18:00:00",""
"7117747","12.6911","0.0002","12.471","0.0002","14.9357","0.0002","90","","91.68","","90","","2362.87","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methylmorpholine 4-oxide compound with 2,2,2-trichloroethane-1,1-diol (1:1)","","- C7 H14 Cl3 N O4 -","- C7 H14 Cl3 N O4 -","- C56 H112 Cl24 N8 O32 -","8","2","","A. J. K. Roth; M. Tretbar; C. B. W. Stark","Mimicking the active site of aldehyde dehydrogenases: stabilization of carbonyl hydrates through hydrogen bonds","Chem.Commun.","2015","51","","14175","","10.1039/C5cc02831K","","","0.71073","MoKα","","0.0335","0.0259","","","0.0605","0.0644","","","","","","1.029","","","","has coordinates","153935","2020-10-21","18:00:00",""
"7117748","6.1594","0.0001","12.8396","0.0002","13.3985","0.0002","90","","101.56","","90","","1038.12","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridine-N-oxide compound with 2,2,2-trichloroethane-1,1-diol (1:1)","","- C7 H8 Cl3 N O3 -","- C7 H8 Cl3 N O3 -","- C28 H32 Cl12 N4 O12 -","4","1","","A. J. K. Roth; M. Tretbar; C. B. W. Stark","Mimicking the active site of aldehyde dehydrogenases: stabilization of carbonyl hydrates through hydrogen bonds","Chem.Commun.","2015","51","","14175","","10.1039/C5cc02831K","","","0.71073","MoKα","","0.0235","0.0214","","","0.0576","0.0588","","","","","","1.074","","","","has coordinates","153935","2020-10-21","18:00:00",""
"7117749","13.8535","0.0014","11.4448","0.0013","7.1913","0.0007","90","","90","","90","","1140.2","0.2","90","2","90","2","","","","","","","see text","4","P b c n","-P 2n 2ab","60","thiophenol-selenophenol alloy","","","- C6 H6 S0.95 Se0.05 -","- C6 H6 S0.95 Se0.05 -","- C48 H48 S7.6 Se0.4 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.0784","0.0625","","","0.1483","0.1528","","","","","","1.227","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117750","13.856","0.004","11.425","0.003","7.1934","0.0018","90","","90","","90","","1138.7","0.5","90","2","90","2","","","","","","","see text","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 S0.91 Se0.09 -","- C6 H6 S0.91 Se0.09 -","- C48 H48 S7.28 Se0.72 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.1079","0.0782","","","0.2004","0.2098","","","","","","1.162","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117751","7.2109","0.001","11.3897","0.0016","13.9705","0.0019","90","","90","","90","","1147.4","0.3","90","2","90","2","","","","","","","see text","4","P n a b","-P 2bc 2n","60","thiophenol-selenophenol alloy","thiophenol-selenophenol","","- C6 H6 S0.75 Se0.25 -","- C6 H6 S0.75 Se0.25 -","- C48 H48 S6 Se2 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.0661","0.0635","","","0.1534","0.154","","","","","","1.389","","","","has coordinates","153936","2020-10-21","18:00:00",""
"7117752","7.329","0.004","11.226","0.005","14.422","0.007","90","","90","","90","","1186.6","1","90","2","90","2","","","","","","","see text","3","P n a b","-P 2bc 2n","60","selenophenol","benzene selenol","","- C6 H6 Se -","- C6 H6 Se -","- C48 H48 Se8 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.1003","0.0867","","","0.2037","0.2073","","","","","","1.345","","","","has coordinates","153936","2020-10-21","18:00:00",""
"7117753","7.1905","0.001","11.4643","0.0015","13.815","0.0018","90","","90","","90","","1138.8","0.3","90","2","90","2","","","","","","","see text","3","P n a b","-P 2bc 2n","60","thiophenol","","","- C6 H6 S -","- C6 H6 S -","- C48 H48 S8 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.0696","0.0684","","","0.1692","0.1696","","","","","","1.292","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117754","7.2621","0.0018","11.371","0.003","14.155","0.003","90","","90","","90","","1168.9","0.5","90","2","90","2","","","","","","","see text","4","P n a b","-P 2bc 2n","60","thiophenol-selenophenol alloy","thiophenol-selenophenol","","- C6 H6 S0.57 Se0.43 -","- C6 H6 S0.57 Se0.43 -","- C48 H48 S4.56 Se3.44 -","8","1","","Sajesh P. Thomas; R. Sathishkumar; T. N. Guru Row","Organic alloys of room temperature liquids thiophenol and selenophenol","Chem.Commun.","2015","51","","14255","","10.1039/C5cc03322E","","x-ray","0.71073","MoKα","","0.1617","0.0811","","","0.1335","0.1506","","","","","","1.083","","","","has coordinates","153936","2020-10-21","18:00:00",""
"7117755","10.9399","0.0018","21.02","0.004","20.547","0.004","90","","98.769","0.006","90","","4669.7","1.5","298","2","298","2","","","","","","","syn","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C200 H224 N16 O24 S8 -","8","1","","Dongari Yadagiri; Pazhamalai Anbarasan","An iodine(III) mediated oxidative rearrangement of enamines: efficient synthesis of alpha-amino ketones","Chem.Commun.","2015","51","","14203","","10.1039/C5cc04265H","","x-ray","0.71073","MoKα","","0.081","0.0451","","","0.0977","0.1138","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117756","23.503","0.003","23.503","0.003","23.503","0.003","90","","90","","90","","12983","3","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H18 N0 O41 Zn9 -","- C54 H18 O41 Zn9 -","- C216 H72 O164 Zn36 -","4","0.166667","","Yun-Wu Li; Jian Xu; Da-Cheng Li; Jian-Min Dou; Hui Yan; Tong-Liang Hu; Xian-He Bu","Two microporous MOFs constructed from different metal cluster SBUs for selective gas adsorption","Chem.Commun.","2015","51","","14211","","10.1039/C5cc05097A","","","0.71073","MoKα","","0.0993","0.0846","","","0.205","0.2141","","","","","","1.11","","","","has coordinates","153938","2020-10-21","18:00:00",""
"7117757","10.099","0.002","14.363","0.003","12.975","0.003","90","","105.69","0.03","90","","1811.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cd N2 O7 -","- C15 H20 Cd N2 O7 -","- C60 H80 Cd4 N8 O28 -","4","1","","Yun-Wu Li; Jian Xu; Da-Cheng Li; Jian-Min Dou; Hui Yan; Tong-Liang Hu; Xian-He Bu","Two microporous MOFs constructed from different metal cluster SBUs for selective gas adsorption","Chem.Commun.","2015","51","","14211","","10.1039/C5cc05097A","","","0.71073","MoKα","","0.037","0.0299","","","0.057","0.0588","","","","","","1.206","","","","has coordinates","153938","2020-10-21","18:00:00",""
"7117758","19.059","0.005","5.647","0.0014","42.733","0.011","90","","93.669","0.008","90","","4590","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 S -","- C30 H26 N2 S -","- C240 H208 N16 S8 -","8","1","","Alok Ranjan; Anupam Mandal; Swapnil G. Yerande; Dattatraya H. Dethe","An asymmetric alkynylation/hydrothiolation cascade: an enantioselective synthesis of thiazolidine-2-imines from imines, acetylenes and isothiocyanates","Chem.Commun.","2015","51","","14215","","10.1039/C5cc05549K","","","0.71073","MoKα","","0.0701","0.052","","","0.1394","0.1794","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117759","9.724","0.005","11.581","0.005","11.774","0.005","75.443","0.005","87.986","0.005","89.04","0.005","1282.5","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H23 Br N2 O S -","- C30 H23 Br N2 O S -","- C60 H46 Br2 N4 O2 S2 -","2","2","","Alok Ranjan; Anupam Mandal; Swapnil G. Yerande; Dattatraya H. Dethe","An asymmetric alkynylation/hydrothiolation cascade: an enantioselective synthesis of thiazolidine-2-imines from imines, acetylenes and isothiocyanates","Chem.Commun.","2015","51","","14215","","10.1039/C5cc05549K","","","0.71069","MoKα","","0.1707","0.0884","","","0.145","0.1736","","","","","","1.023","","","","has coordinates","153939","2020-10-21","18:00:00",""
"7117760","20.3759","0.0013","35.024","0.004","16.9047","0.001","90","","98.951","0.006","90","","11917","1.7","123","0.1","123","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Cl2 F36 N13 O2 S6 -","- C88 H87 Cl2 F36 N13 O2 S6 -","- C352 H348 Cl8 F144 N52 O8 S24 -","4","0.5","","Hennie Valkenier; Christopher M. Dias; Kathryn L. Porter Goff; Ondrej Jurcek; Rakesh Puttreddy; Kari Rissanen; Anthony P. Davis","Sterically geared tris-thioureas; transmembrane chloride transporters with unusual activity and accessibility","Chem.Commun.","2015","51","","14235","","10.1039/C5cc05737J","","x-ray","1.54184","CuKα","","0.1993","0.1378","","","0.3462","0.4106","","","","","","1.019","","","","has coordinates,has disorder","153940","2020-10-21","18:00:00",""
"7117761","4.11501","0.00015","10.0552","0.0003","45.8911","0.0016","90","","90","","90","","1898.85","0.11","223.01","0.1","223.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhong-Jian Cai; Chao Yang; Shun-Yi Wang; Shun-Jun Ji","Palladium-catalyzed highly regioselective 6-exo-dig cyclization and alkenylation of ortho-ethynylanilides: the synthesis of polyene-substituted benzo[d][1,3]oxazines","Chem.Commun.","2015","51","","14267","","10.1039/C5cc06510K","","x-ray","1.54184","CuKα","","0.0473","0.0405","","","0.1147","0.1237","","","","","","0.907","","","","has coordinates","153941","2020-10-21","18:00:00",""
"7117762","39.709","0.006","39.709","0.006","39.724","0.008","90","","90","","90","","62637","18","100","2","100","2","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","","","- C110 H56 Br2 -","- C110 H56 Br2 -","- C1760 H896 Br32 -","16","","","Melanie Kitchin; Kristina Konstas; Christopher J. Sumby; Milena L. Czyz; Peter Valente; Matthew R. Hill; Anastasios Polyzos; Christian J. Doonan","Continuous flow synthesis of a carbon-based molecular cage macrocycle via a three-fold homocoupling reaction","Chem.Commun.","2015","51","","14231","","10.1039/C5cc05181A","","","0.71073","synchrotron","","0.1305","0.1092","","","0.2968","0.3186","","","","","","1.325","","","","has coordinates","153942","2020-10-21","18:00:00",""
"7117763","10.927","0.003","19.507","0.004","19.81","0.006","90","","105.742","0.008","90","","4064.2","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br2 O4 S -","- C21 H20 Br2 O4 S -","- C168 H160 Br16 O32 S8 -","8","4","","Nagamoto, Midori; Nishimura, Takahiro","Stereoselective hydroacylation of bicyclic alkenes with 2-hydroxybenzaldehydes catalyzed by hydroxoiridium/diene complexes.","Chemical communications (Cambridge, England)","2015","51","72","13791","13794","10.1039/c5cc05432j","","","1.54187","CuKα","","0.0367","0.0346","","","0.0881","0.0888","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117766","35.4661","0.0016","35.4661","0.0016","26.194","0.0017","90","","90","","120","","28534","3","150","0.14","150","0.14","","","","","","","","6","R -3","-R 3","148","","","","- C168 H162 Ag3 F18 N18 P3 -","- C168 H162 Ag3 F18 N18 P3 -","- C1008 H972 Ag18 F108 N108 P18 -","6","","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Gusev, Dmitry; Peris, Eduardo","First homoleptic MIC and heteroleptic NHC-MIC coordination cages from 1,3,5-triphenylbenzene-bridged tris-MIC and tris-NHC ligands.","Chemical communications (Cambridge, England)","2015","51","73","13914","13917","10.1039/c5cc05114b","","x-ray","1.54184","CuKα","","0.1282","0.0922","","","0.2561","0.2886","","","","","","1.054","","","","has coordinates,has disorder","154898","2020-10-21","18:00:00",""
"7117767","13.1","0.002","16.35","0.003","13.048","0.002","90","","117.404","0.002","90","","2481.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C124 H100 N4 O8 S4 -","4","1","","Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng","Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","70","13550","13553","10.1039/c5cc05093f","","","0.71073","MoKα","","0.0913","0.0572","","","0.119","0.1338","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117768","9.311","0.002","10.003","0.002","23.556","0.006","90","","90","","90","","2194","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng","Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","70","13550","13553","10.1039/c5cc05093f","","","0.71073","MoKα","","0.0953","0.0723","","","0.1876","0.2045","","","","","","1.057","","","","has coordinates","154899","2020-10-21","18:00:00",""
"7117769","9.5442","0.0015","15.093","0.003","45.323","0.006","90","","90","","90","","6528.8","1.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Br2 N2 O4 S2 -","- C34 H30 Br2 N2 O4 S2 -","- C272 H240 Br16 N16 O32 S16 -","8","1","","Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng","Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","70","13550","13553","10.1039/c5cc05093f","","","0.71073","MoKα","","0.1465","0.0717","","","0.1563","0.1782","","","","","","1.06","","","","has coordinates","154899","2020-10-21","18:00:00",""
"7117770","13.5275","0.001","7.5746","0.0005","18.3908","0.0011","90","","111.098","0.002","90","","1758.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.","1-[(2E)-3-Phenylprop-2-enoyl]-1H-benzimidazoles as anticancer agents: synthesis, crystal structure analysis and binding studies of the most potent anticancer molecule with serum albumin","Med. Chem. Commun.","2015","6","11","1942","","10.1039/C5MD00293A","","","0.71073","MoKα","","0.0591","0.0395","","","0.1016","0.1159","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117772","8.2934","0.001","13.814","0.002","7.8377","0.0011","90","","92.388","0.015","90","","897.1","0.2","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H21 Br Co N O4 -","- C16 H21 Br Co N O4 -","- C32 H42 Br2 Co2 N2 O8 -","2","0.5","","Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur","Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers","Chem.Commun.","2015","51","","14334","","10.1039/C5cc04714E","","","0.71073","MoKα","","0.0346","0.0334","","","0.0906","0.0914","","","","","","1.077","","","","has coordinates","156295","2020-10-21","18:00:00",""
"7117773","8.1891","0.0002","13.7998","0.0003","7.73787","0.00019","90","","91.89","0.002","90","","873.97","0.04","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H21 Cl Co N O4 -","- C16 H21 Cl Co N O4 -","- C32 H42 Cl2 Co2 N2 O8 -","2","0.5","","Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur","Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers","Chem.Commun.","2015","51","","14334","","10.1039/C5cc04714E","","","0.71073","MoKα","","0.0332","0.0319","","","0.0799","0.0807","","","","","","1.053","","","","has coordinates","156295","2020-10-21","18:00:00",""
"7117774","4.1982","0.0001","14.3433","0.0003","13.6017","0.0003","90","","94.707","0.002","90","","816.28","0.03","200","2","200","2","","","","","","","","6","P 1 n 1","P -2yac","7","","catena-poly[(m3-iodide)(2-amino-5-nitropyridine)copper(I)]","","- C10 H10 Cu2 I2 N6 O4 -","- C10 H10 Cu2 I2 N6 O4 -","- C20 H20 Cu4 I4 N12 O8 -","2","1","","P. Amo-Ochoa; K. Hassanein; C. J. Gomez-Garcia; S. Benmansour; J. Perles; O. Castillo; J. I. Martinez; P. Oconf; F. Zamora","Reversible stimulus-responsive Cu(I) iodide pyridine coordination polymer","Chem.Commun.","2015","51","","14306","","10.1039/C5cc04746C","","","0.71073","MoKα","","0.0234","0.0221","","","0.0472","0.0479","","","","","","0.956","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117775","4.2284","0.0001","14.3638","0.0007","13.684","0.0005","90","","95.241","0.003","90","","827.64","0.05","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-poly[(m3-iodide)(2-amino-5-nitropyridine)copper(I)]","","- C5 H5 Cu I N3 O2 -","- C5 H5 Cu I N3 O2 -","- C20 H20 Cu4 I4 N12 O8 -","4","1","","P. Amo-Ochoa; K. Hassanein; C. J. Gomez-Garcia; S. Benmansour; J. Perles; O. Castillo; J. I. Martinez; P. Oconf; F. Zamora","Reversible stimulus-responsive Cu(I) iodide pyridine coordination polymer","Chem.Commun.","2015","51","","14306","","10.1039/C5cc04746C","","","0.71073","MoKα","","0.0593","0.0482","","","0.0943","0.1005","","","","","","1.244","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117776","4.0708","0.0001","7.5386","0.0002","28.2779","0.0007","90","","90.88","0.001","90","","867.69","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[(m3-iodide)(2-amino-5-nitropyridine)copper(I)]","","- C5 H5 Cu I N3 O2 -","- C5 H5 Cu I N3 O2 -","- C20 H20 Cu4 I4 N12 O8 -","4","1","","P. Amo-Ochoa; K. Hassanein; C. J. Gomez-Garcia; S. Benmansour; J. Perles; O. Castillo; J. I. Martinez; P. Oconf; F. Zamora","Reversible stimulus-responsive Cu(I) iodide pyridine coordination polymer","Chem.Commun.","2015","51","","14306","","10.1039/C5cc04746C","","","0.71073","","","0.0268","0.0201","","","0.0365","0.0395","","","","","","1.121","","","","has coordinates","156296","2020-10-21","18:00:00",""
"7117777","12.7421","0.0002","7.5139","0.0001","14.7733","0.001","90","","106.877","0.008","90","","1353.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao","Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties","Chem.Commun.","2015","51","","14365","","10.1039/C5cc05239D","","","1.54187","CuKα","","0.0537","0.0468","","","0.1214","0.1303","","","","","","1.124","","","","has coordinates","156297","2020-10-21","18:00:00",""
"7117778","11.1528","0.0002","12.1629","0.0002","32.522","0.002","90","","90","","90","","4411.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H21 N O -","- C30 H21 N O -","- C240 H168 N8 O8 -","8","1","","Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao","Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties","Chem.Commun.","2015","51","","14365","","10.1039/C5cc05239D","","","1.54187","CuKα","","0.0461","0.0417","","","0.1077","0.1112","","","","","","1.093","","","","has coordinates","156297","2020-10-21","18:00:00",""
"7117779","17.0755","0.0012","11.3454","0.0002","12.5168","0.0002","90","","103.806","0.007","90","","2354.8","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O -","- C32 H25 N O -","- C128 H100 N4 O4 -","4","1","","Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao","Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties","Chem.Commun.","2015","51","","14365","","10.1039/C5cc05239D","","","1.54187","CuKα","","0.0667","0.0539","","","0.1605","0.1738","","","","","","1.103","","","","has coordinates","156297","2020-10-21","18:00:00",""
"7117780","9.948","0.0002","10.1669","0.0002","12.7171","0.0008","88.203","0.006","70.071","0.005","73.961","0.005","1159.31","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O -","- C32 H23 N O -","- C64 H46 N2 O2 -","2","1","","Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao","Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties","Chem.Commun.","2015","51","","14365","","10.1039/C5cc05239D","","","1.54187","CuKα","","0.0931","0.055","","","0.1401","0.1653","","","","","","1.042","","","","has coordinates","156297","2020-10-21","18:00:00",""
"7117781","17.112","0.004","12.896","0.004","11.447","0.003","90","","90.276","0.005","90","","2526.1","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Au2 N8 S4 -","- C18 H18 Au2 N8 S4 -","- C72 H72 Au8 N32 S16 -","4","0.5","","Ryan J. Roberts; Debbie Le; Daniel B. Leznoff","Controlling intermolecular aurophilicity in emissive dinuclear Au(I) materials and their luminescent response to ammonia vapour","Chem.Commun.","2015","51","","14299","","10.1039/C5cc05277G","","","0.7749","Synchrotron","","0.0541","0.0474","","","0.1149","0.1204","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117782","9.6338","0.0019","22.019","0.004","11.351","0.002","90","","91.513","0.003","90","","2407","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Au2 N6 S4 -","- C18 H24 Au2 N6 S4 -","- C72 H96 Au8 N24 S16 -","4","1","","Ryan J. Roberts; Debbie Le; Daniel B. Leznoff","Controlling intermolecular aurophilicity in emissive dinuclear Au(I) materials and their luminescent response to ammonia vapour","Chem.Commun.","2015","51","","14299","","10.1039/C5cc05277G","","","0.7749","Synchrotron","","0.0416","0.0294","","","0.0798","0.1063","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117783","10.5756","0.0014","23.18","0.003","11.6908","0.0016","90","","99.794","0.002","90","","2824.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Au2 N8 O S4 -","- C18 H32 Au2 N8 O S4 -","- C72 H128 Au8 N32 O4 S16 -","4","1","","Ryan J. Roberts; Debbie Le; Daniel B. Leznoff","Controlling intermolecular aurophilicity in emissive dinuclear Au(I) materials and their luminescent response to ammonia vapour","Chem.Commun.","2015","51","","14299","","10.1039/C5cc05277G","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117784","10.8234","0.0004","6.6783","0.0003","12.8182","0.0004","90","","108.899","0.001","90","","876.58","0.06","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","amino nitrile","(R)-N-Benzhydryl-α-p-tolylglycine nitrile","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","1","","Tsuneomi Kawasaki; Naoya Takamatsu; Shohei Aiba; Yuji Tokunaga","Spontaneous formation and amplification of an enantioenriched alpha-amino nitrile: a chiral precursor for Strecker amino acid synthesis","Chem.Commun.","2015","51","","14377","","10.1039/C5cc05848A","","","0.71075","MoKα","","","0.0372","","","","0.1155","","","","","","1.01","","","","has coordinates","156299","2020-10-21","18:00:00",""
"7117785","11.665","0.002","18.047","0.003","13.71","0.003","90","","106.488","0.005","90","","2767.5","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 F N O5 -","- C32 H30 F N O5 -","- C128 H120 F4 N4 O20 -","4","2","","Junjun Feng; Xin Li; Jin-Pei Cheng","An asymmetric allylic alkylation reaction of 3-alkylidene oxindoles","Chem.Commun.","2015","51","","14342","","10.1039/C5cc06182B","","","1.54187","CuKα","","0.0375","0.0357","","","0.102","0.1029","","","","","","1.083","","","","has coordinates","156300","2020-10-21","18:00:00",""
"7117786","10.4675","0.0005","14.4066","0.0008","13.3847","0.0007","90","","112.212","0.002","90","","1868.64","0.17","150","","148.78","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B2 N2 -","- C20 H34 B2 N2 -","- C80 H136 B8 N8 -","4","1","","Jeffrey M. Farrell; Douglas W. Stephan","Synthesis of a diboryl-N-heterocycle and its conversion to a bidentate cationic Lewis acid","Chem.Commun.","2015","51","","14322","","10.1039/C5cc06248A","","","0.71073","MoKα","","0.127","0.0958","","","0.1791","0.1934","","","","","","1.08","","","","has coordinates","156301","2020-10-21","18:00:00",""
"7117787","14.5093","0.0005","7.7961","0.0003","18.6255","0.0006","90","","106.364","0.001","90","","2021.5","0.12","150","","149.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 B2 I N2 -","- C20 H33 B2 I N2 -","- C80 H132 B8 I4 N8 -","4","1","","Jeffrey M. Farrell; Douglas W. Stephan","Synthesis of a diboryl-N-heterocycle and its conversion to a bidentate cationic Lewis acid","Chem.Commun.","2015","51","","14322","","10.1039/C5cc06248A","","","0.71073","MoKα","","0.0153","0.0143","","","0.0406","0.0412","","","","","","1.0518","","","","has coordinates","156301","2020-10-21","18:00:00",""
"7117788","17.2516","0.0009","17.706","0.0009","27.4233","0.0014","90","","90","","90","","8376.6","0.7","149","","149.7","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H32 B3 F20 N2 -","- C44 H32 B3 F20 N2 -","- C352 H256 B24 F160 N16 -","8","1","","Jeffrey M. Farrell; Douglas W. Stephan","Synthesis of a diboryl-N-heterocycle and its conversion to a bidentate cationic Lewis acid","Chem.Commun.","2015","51","","14322","","10.1039/C5cc06248A","","","0.71073","MoKα","","0.0813","0.075","","","0.187","0.1942","","","","","","1.0735","","","","has coordinates","156301","2020-10-21","18:00:00",""
"7117789","12.1706","0.0019","19.581","0.003","27.574","0.004","90","","90","","90","","6571.2","1.7","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H30 B2 F8 N2 O2 -","- C40 H28 B2 F8 N2 O2 -","- C320 H224 B16 F64 N16 O16 -","8","1","","Yuto Sakano; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Two-way chromic interconversion of the 2,2'-biphenol-6,6'-diyl dication with 5H,10H-dioxapyrene or 9H,10H-4,5-dihydroxyphenanthrene","Chem.Commun.","2015","51","","14303","","10.1039/C5cc06338H","","","0.71075","MoKα","","","0.0533","","","","0.1515","","","","","","1.055","","","","has coordinates","156302","2020-10-21","18:00:00",""
"7117790","9.176","0.006","8.514","0.005","18.197","0.011","90","","104.035","0.001","90","","1379.2","1.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N2 O2 -","- C40 H26 N2 O2 -","- C80 H52 N4 O4 -","2","0.5","","Yuto Sakano; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Two-way chromic interconversion of the 2,2'-biphenol-6,6'-diyl dication with 5H,10H-dioxapyrene or 9H,10H-4,5-dihydroxyphenanthrene","Chem.Commun.","2015","51","","14303","","10.1039/C5cc06338H","","","0.71075","MoKα","","","0.0922","","","","0.1864","","","","","","0.81","","","","has coordinates","156302","2020-10-21","18:00:00",""
"7117791","20.444","0.004","13.566","0.003","28.627","0.006","90","","90.776","0.003","90","","7939","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B2 F8 N2 O4 -","- C45 H39.5 B2 F8 N2.5 O4 -","- C360 H316 B16 F64 N20 O32 -","8","2","","Yuto Sakano; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Two-way chromic interconversion of the 2,2'-biphenol-6,6'-diyl dication with 5H,10H-dioxapyrene or 9H,10H-4,5-dihydroxyphenanthrene","Chem.Commun.","2015","51","","14303","","10.1039/C5cc06338H","","","0.71075","MoKα","","","0.0994","","","","0.2362","","","","","","1.024","","","","has coordinates","156302","2020-10-21","18:00:00",""
"7117795","14.3578","0.0016","11.7005","0.0014","8.2619","0.0009","90","","90","","90","","1387.9","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 Br O5 -","- C13 H17 Br O5 -","- C52 H68 Br4 O20 -","4","1","","Jola Pospech; Alastair J. J. Lennox; Matthias Beller","Rhodium-catalysed alkoxylation/acetalization of diazo compounds: one-step synthesis of highly functionalised quaternary carbon centres","Chem.Commun.","2015","51","","14505","","10.1039/C5cc03903G","","","0.71073","MoKα","","0.0262","0.0219","","","0.0472","0.0483","","","","","","1.018","","","","has coordinates","158213","2020-10-21","18:00:00",""
"7117796","9.7096","0.0003","7.1009","0.0002","26.6401","0.0007","90","","100.031","0.001","90","","1808.68","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Jola Pospech; Alastair J. J. Lennox; Matthias Beller","Rhodium-catalysed alkoxylation/acetalization of diazo compounds: one-step synthesis of highly functionalised quaternary carbon centres","Chem.Commun.","2015","51","","14505","","10.1039/C5cc03903G","","","0.71073","MoKα","","0.0555","0.0445","","","0.1103","0.1182","","","","","","1.034","","","","has coordinates","158213","2020-10-21","18:00:00",""
"7117797","12.7047","0.0006","8.5755","0.0004","13.6576","0.0006","90","","115.546","0.0007","90","","1342.52","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br O5 -","- C12 H15 Br O5 -","- C48 H60 Br4 O20 -","4","1","","Jola Pospech; Alastair J. J. Lennox; Matthias Beller","Rhodium-catalysed alkoxylation/acetalization of diazo compounds: one-step synthesis of highly functionalised quaternary carbon centres","Chem.Commun.","2015","51","","14505","","10.1039/C5cc03903G","","","0.71073","MoKα","","0.0387","0.0336","","","0.0816","0.0842","","","","","","1.052","","","","has coordinates","158213","2020-10-21","18:00:00",""
"7117798","8.2582","0.0002","6.2091","0.0002","17.8371","0.0005","90","","103.148","0.0014","90","","890.64","0.04","223","2","223.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 O -","- C25 H18 O -","- C50 H36 O2 -","2","1","","Beom Shin Cho; Young Keun Chung","Palladium-catalyzed bisarylation of 3-alkylbenzofurans to 3-arylalkyl-2-arylbenzofurans on water: tandem C(sp3)-H and C(sp2)-H activation reactions of 3-alkylbenzofurans","Chem.Commun.","2015","51","","14543","","10.1039/C5cc04052C","","","0.71073","MoKα","","0.0658","0.0405","","","0.0833","0.0958","","","","","","1.079","","","","has coordinates","158214","2020-10-21","18:00:00",""
"7117799","5.8467","0.0002","17.0069","0.0005","17.374","0.0009","90","","90","","90","","1727.57","0.12","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Jorge M. M. Verkade; Peter J. L. M. Quaedflieg; Gerard K. M. Verzijl; Laurent Lefort; Floris L. van Delft; Johannes G. de Vries; Floris P. J. T. Rutjes","Enantio- and diastereoselective synthesis of upsilon-amino alcohol","Chem.Commun.","2015","51","","14462","","10.1039/C5cc04445F","","","0.71073","MoKα","","0.0445","0.0358","","0.0841","0.0793","0.0841","","","1.079","","","1.079","","","","has coordinates","158215","2020-10-21","18:00:00",""
"7117800","16.179","0.009","15.362","0.008","17.899","0.01","90","","90.91","0.008","90","","4448","4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H84 F12 Fe2 N17 O16 S4 -","- C75 H84 F12 Fe2 N17 O16 S4 -","- C150 H168 F24 Fe4 N34 O32 S8 -","2","0.5","","Sujoy Rana; Aniruddha Dey; Debabrata Maiti","Mechanistic elucidation of C-H oxidation by electron rich non-heme iron(IV)-oxo at room temperature","Chem.Commun.","2015","51","","14469","","10.1039/C5cc04803F","","","0.71075","MoKα","","0.1194","0.1119","","","","0.2804","","","","","","1.0351","","","","has coordinates","158217","2020-10-21","18:00:00",""
"7117801","12.1388","0.0012","21.415","0.002","25.499","0.003","83.635","0.002","80.874","0.002","83.613","0.002","6474.6","1.2","100","","100","0.2","","","","","","","","6","P -1","-P 1","2","Zinc porphyrin complex","{5,10-Bis[3,5-di(tert-butyl)phenyl]-15,20-bis(4'-cyanobiphenyl-4-yl)porphyrinato}zinc(II)","","- C149 H135 Cl3 N12 O Zn2 -","- C149 H135 Cl3 N12 O Zn2 -","- C298 H270 Cl6 N24 O2 Zn4 -","2","1","","Tuan Anh Pham; Fei Song; Mariza N. Alberti; Manh-Thuong Nguyen; Nils Trapp; Carlo Thilgen; Francois Diederich; Meike Stohr","Heat-induced formation of one-dimensional coordination polymers on Au(111): an STM study","Chem.Commun.","2015","51","","14473","","10.1039/C5cc04940G","","x-ray","0.71073","MoKα","K-L~3~","0.1008","0.0604","","","0.1536","0.1679","","","","","","1.017","","","","has coordinates,has disorder","158218","2020-10-21","18:00:00",""
"7117802","7.387","0.006","32.39","0.03","8.251","0.007","90","","92.434","0.01","90","","1972","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O S -","- C23 H18 N4 O S -","- C92 H72 N16 O4 S4 -","4","1","","Masood Ayoub Kaloo; Jeyaraman Sankar","Reusable and specific proton transfer signalling by inorganic cyanide in solution and solid phase","Chem.Commun.","2015","51","","14528","","10.1039/C5cc05106A","","","0.71073","MoKα","","0.0951","0.0745","","","0.2232","0.238","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117803","19.192","0.004","10.293","0.0017","35.255","0.015","90","","96.3","0.03","90","","6922","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4Z,6E)-2,3,4,5,6,7,8-heptaphenyl-3,8-dihydro-1,2,8-oxazaborocine","","- C47 H36 B N O -","- C47 H36 B N O -","- C376 H288 B8 N8 O8 -","8","1","","Holger Braunschweig; Ivo Krummenacher; Lisa Mailander; Florian Rauch","O,N,B-Containing eight-membered heterocycles by ring expansion of boroles with nitrones","Chem.Commun.","2015","51","","14513","","10.1039/C5cc05368D","","","0.71073","MoKα","","0.0522","0.0431","","","0.0998","0.1062","","","","","","1.075","","","","has coordinates","158220","2020-10-21","18:00:00",""
"7117804","12.592","0.005","15.365","0.006","20.175","0.003","103.7","0.008","92.293","0.015","94.425","0.019","3774","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4Z,6E)-8-mesityl-2,3,4,5,6,7-hexaphenyl-3,8-dihydro-1,2,8-oxazaborocine","","- C50 H42 B N O -","- C50 H42 B N O -","- C200 H168 B4 N4 O4 -","4","2","","Holger Braunschweig; Ivo Krummenacher; Lisa Mailander; Florian Rauch","O,N,B-Containing eight-membered heterocycles by ring expansion of boroles with nitrones","Chem.Commun.","2015","51","","14513","","10.1039/C5cc05368D","","","0.71073","MoKα","","0.0819","0.0497","","","0.1065","0.1184","","","","","","1.011","","","","has coordinates","158220","2020-10-21","18:00:00",""
"7117805","13.873","0.006","17.556","0.004","16.244","0.01","90","","102.03","0.04","90","","3869","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4Z,6E)-2-(tert-butyl)-3,4,5,6,7,8-hexaphenyl-3,8-dihydro-1,2,8-oxazaborocine","","- C51 H46 B N O -","- C51 H46 B N O -","- C204 H184 B4 N4 O4 -","4","1","","Holger Braunschweig; Ivo Krummenacher; Lisa Mailander; Florian Rauch","O,N,B-Containing eight-membered heterocycles by ring expansion of boroles with nitrones","Chem.Commun.","2015","51","","14513","","10.1039/C5cc05368D","","","0.71073","MoKα","","0.046","0.0388","","","0.0914","0.0964","","","","","","1.016","","","","has coordinates","158220","2020-10-21","18:00:00",""
"7117806","10.604","0.006","32.49","0.008","11.704","0.005","90","","114.4","0.04","90","","3672","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4Z,6E)-2-(tert-butyl)-8-mesityl-3,4,5,6,7-pentaphenyl-3,8-dihydro-1,2,8-oxazaborocine","","- C48 H46 B N O -","- C48 H46 B N O -","- C192 H184 B4 N4 O4 -","4","1","","Holger Braunschweig; Ivo Krummenacher; Lisa Mailander; Florian Rauch","O,N,B-Containing eight-membered heterocycles by ring expansion of boroles with nitrones","Chem.Commun.","2015","51","","14513","","10.1039/C5cc05368D","","","0.71073","MoKα","","0.0685","0.0574","","","0.134","0.1394","","","","","","1.099","","","","has coordinates","158220","2020-10-21","18:00:00",""
"7117807","17.656","0.0011","16.2741","0.0018","26.219","0.003","90","","90.609","0.007","90","","7533.2","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H120 Cd8 N4 O54 -","- C152 H108 Cd8 N4 O54 -","- C304 H216 Cd16 N8 O108 -","2","1","","Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du","Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange","Chem.Commun.","2015","51","","14481","","10.1039/C5cc05566K","","","0.71073","MoKα","","0.0922","0.0859","","","0.2385","0.2464","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117808","17.745","0.005","16.263","0.004","26.25","0.007","90","","90.775","0.004","90","","7575","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H120 Cd8 N4 O54 -","- C152 H108 Cd8 N4 O54 -","- C304 H216 Cd16 N8 O108 -","2","1","","Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du","Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange","Chem.Commun.","2015","51","","14481","","10.1039/C5cc05566K","","","0.71073","MoKα","","0.0857","0.0712","","","0.2074","0.2339","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117809","18.9579","0.0008","19.7413","0.0009","18.7107","0.0008","90","","99.765","0.004","90","","6901.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74.1 H109.2 Mg2 N6 -","- C74.1 H108.1 Mg2 N6 -","- C296.4 H432.4 Mg8 N24 -","4","1","","Catherine Weetman; Michael S. Hill; Mary F. Mahon","Magnesium-catalysed hydroboration of isonitriles","Chem.Commun.","2015","51","","14477","","10.1039/C5cc05708F","","","1.54184","CuKα","","0.1157","0.081","","","0.21","0.2414","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117810","17.4611","0.0002","17.4611","0.0002","17.4611","0.0002","90","","90","","90","","5323.72","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 Co6 N13 O12 -","- C24 H14.97 Co6 N13 O12 -","- C96 H59.88 Co24 N52 O48 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.071","0.0557","","","0.1594","0.1716","","","","","","1.096","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117811","17.4882","0.0002","17.4882","0.0002","17.4882","0.0002","90","","90","","90","","5348.54","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 Co6 N13 O12 -","- C24 H14.97 Co6 N13 O12 -","- C96 H59.88 Co24 N52 O48 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.0393","0.0378","","","0.1065","0.1075","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117812","17.5279","0.0008","17.5279","0.0008","17.5279","0.0008","90","","90","","90","","5385","0.4","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H14 Co6 N12 O13 -","- C24 H13.98 Co6 N12 O13 -","- C96 H55.92 Co24 N48 O52 -","4","0.333333","","Ya-Dong Yu; Chan Luo; Bao-Yu Liu; Xiao-Chun Huang; Dan Li","Spontaneous symmetry breaking of Co(II) metal-organic frameworks from achiral precursors via asymmetrical crystallization","Chem.Commun.","2015","51","","14489","","10.1039/C5cc06166K","","","0.71073","MoKα","","0.0401","0.0372","","","0.0977","0.0991","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117813","15.116","0.002","11.464","0.0017","15.484","0.002","90","","105.324","0.003","90","","2587.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O3 -","- C33 H25 N O3 -","- C132 H100 N4 O12 -","4","1","","Rong Zhou; Kai Zhang; Yusong Chen; Qiang Meng; Yiyi Liu; Ruifeng Li; Zhengjie He","P(NMe2)3-mediated reductive [1+4] annulation of isatins with enones: a facile synthesis of spirooxindole-dihydrofurans","Chem.Commun.","2015","51","","14663","","10.1039/C5cc03676C","","","0.71073","MoKα","","0.11","0.0517","","","0.1247","0.1608","","","","","","0.982","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117814","15.016","0.003","11.906","0.002","15.221","0.003","90","","100.25","0.03","90","","2677.8","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Br N O3 -","- C31 H22 Br N O3 -","- C124 H88 Br4 N4 O12 -","4","1","","Rong Zhou; Kai Zhang; Yusong Chen; Qiang Meng; Yiyi Liu; Ruifeng Li; Zhengjie He","P(NMe2)3-mediated reductive [1+4] annulation of isatins with enones: a facile synthesis of spirooxindole-dihydrofurans","Chem.Commun.","2015","51","","14663","","10.1039/C5cc03676C","","","0.71073","MoKα","","0.0616","0.0458","","","0.097","0.1033","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117815","21.917","0.006","9.529","0.002","23.123","0.008","90","","115.112","0.004","90","","4373","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 N3 O3 -","- C27 H19 N3 O3 -","- C216 H152 N24 O24 -","8","1","","Rong Zhou; Kai Zhang; Yusong Chen; Qiang Meng; Yiyi Liu; Ruifeng Li; Zhengjie He","P(NMe2)3-mediated reductive [1+4] annulation of isatins with enones: a facile synthesis of spirooxindole-dihydrofurans","Chem.Commun.","2015","51","","14663","","10.1039/C5cc03676C","","","0.71073","MoKα","","0.0572","0.0382","","","0.0794","0.0894","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117816","10.9348","0.0007","25.1626","0.0017","12.1658","0.0008","90","","93.209","0.002","90","","3342.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2xHOBpin","","- C25 H55 B2 O7 P2 Rh -","- C25 H55 B2 O7 P2 Rh -","- C100 H220 B8 O28 P8 Rh4 -","4","1","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.0243","0.0232","","","0.0597","0.0606","","","","","","1.052","","","","has coordinates,has disorder","158225","2020-10-21","18:00:00",""
"7117817","10.8214","0.0008","13.3028","0.0006","11.7681","0.0009","90","","113.017","0.003","90","","1559.21","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H57 B O3 P3 Rh -","- C24 H57 B O3 P3 Rh -","- C48 H114 B2 O6 P6 Rh2 -","2","1","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.0225","0.0224","","","0.0611","0.0611","","","","","","1.051","","","","has coordinates","158225","2020-10-21","18:00:00",""
"7117818","9.0037","0.0011","11.2268","0.0013","15.1421","0.0016","83.982","0.005","80.95","0.004","82.455","0.005","1492.9","0.3","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H47 B N O3 P2 Rh -","- C25 H47 B N O3 P2 Rh -","- C50 H94 B2 N2 O6 P4 Rh2 -","2","2","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.0669","0.049","","","0.1114","0.1218","","","","","","1.016","","","","has coordinates","158225","2020-10-21","18:00:00",""
"7117819","40.16","0.003","15.9681","0.0011","20.1668","0.0013","90","","118.333","0.0018","90","","11383.3","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H181 B4 O8 P8 Rh4 S4 -","- C81 H181 B4 O8 P8 Rh4 S4 -","- C324 H724 B16 O32 P32 Rh16 S16 -","4","0.5","","Sabrina I. Kallane; Thomas Braun; Michael Teltewskoi; Beatrice Braun; Roy Herrmann; Reik Laubenstein","Remarkable reactivity of a rhodium(I) boryl complex towards CO2 and CS2: isolation of a carbido complex","Chem.Commun.","2015","51","","14613","","10.1039/C5cc05606C","","","0.71073","MoKα","","0.1306","0.0689","","","0.1728","0.2159","","","","","","0.929","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117820","14.3785","0.0014","10.3694","0.001","19.867","0.0019","90","","90","","90","","2962.1","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","VQLC","","- C17 H20 O5 -","- C17 H20 O5 -","- C136 H160 O40 -","8","1","","Dong Chen; Hao-Miao Liu; Ming-Ming Li; Yong-Min Yan; Wen-Dan Xu; Xiao-Nian Li; Yong-Xian Cheng; Hong-Bo Qin","Concise synthesis of (+/-)-Lingzhiol via epoxy-arene cyclization","Chem.Commun.","2015","51","","14594","","10.1039/C5cc05680B","","","0.71073","MoKα","","0.0438","0.0365","","","0.0977","0.1039","","","","","","1.027","","","","has coordinates","158226","2020-10-21","18:00:00",""
"7117821","9.7149","0.0005","5.7291","0.0003","15.133","0.0008","90","","91.157","0.003","90","","842.1","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C40 H34 Cl2 O8 -","2","1","","Qijian Ni; Jiawen Xiong; Xiaoxiao Song; Gerhard Raabe; Dieter Enders","NHC-catalyzed activation of alpha,beta-unsaturated N-acyltriazoles: an easy access to dihydropyranones","Chem.Commun.","2015","51","","14628","","10.1039/C5cc06044C","","","1.54178","CuKα","","0.032","0.03","","0.025","","0.025","","","0.989","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117822","8.5296","0.0013","22.691","0.003","13.414","0.002","90","","105.992","0.002","90","","2495.7","0.6","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tris(dimethylsilylmethyl)triethylbenzene","","","- C21 H42 Si3 -","- C21 H42 Si3 -","- C84 H168 Si12 -","4","1","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.0601","0.0523","","","0.1258","0.1325","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117823","27.388","0.003","9.4848","0.0009","27.972","0.003","90","","93.236","0.002","90","","7254.7","1.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tris(diisopropylsilylmethyl)triethylbenzene","","","- C33 H66 Si3 -","- C33 H66 Si3 -","- C264 H528 Si24 -","8","2","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.078","0.0604","","","0.1535","0.1677","","","","","","1.072","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7117824","13.138","0.003","14.093","0.003","14.255","0.003","70.5","0.008","84.236","0.01","70.66","0.008","2347.4","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","tris(diphenylsilylmethyl)triethylbenzene","","","- C54 H61 Si3 -","- C54 H61 Si3 -","- C108 H122 Si6 -","2","1","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.0716","0.0605","","","0.1359","0.1435","","","","","","1.079","","","","has coordinates","158275","2020-10-21","18:00:00",""
"7117825","17.538","0.003","17.538","0.003","17.538","0.003","90","","90","","90","","5394.4","1.6","120","2","120","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","tris(dimethylhydroxysilylmethyl)triethylbenzene","","","- C21 H42 O3 Si3 -","- C21 H42 O3 Si3 -","- C168 H336 O24 Si24 -","8","0.666667","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.0534","0.0513","","","0.1203","0.1219","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117826","19.2489","0.0017","19.7912","0.0018","23.545","0.002","90","","90","","90","","8969.7","1.4","120","2","120","2","","","","","","","","4","P c a n","-P 2n 2c","60","tris(diphenylhydroxysilylmethyl)triethylbenzene","","","- C51 H56 O4 Si3 -","- C51 H56 O4 Si3 -","- C408 H448 O32 Si24 -","8","1","","Marina Fukawa; Takayuki Sato; Yoshio Kabe","A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols","Chem.Commun.","2015","51","","14746","","10.1039/C5cc04515K","","","0.71073","MoKα","","0.0649","0.0547","","","0.1235","0.129","","","","","","1.12","","","","has coordinates,has disorder","158275","2020-10-21","18:00:00",""
"7117827","8.3989","0.0002","14.2716","0.0004","18.5507","0.0013","94.761","0.007","96.451","0.007","101.646","0.007","2151.23","0.19","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 B2 F4 N4 S4 -","- C44 H48 B2 F4 N4 S4 -","- C88 H96 B4 F8 N8 S8 -","2","1","","A. Mirloup; Q. Huaulme; N. Leclerc; P. Leveque; T. Heiser; P. Retailleau; R. Ziessel","Thienyl-BOPHY dyes as promising templates for bulk heterojunction solar cells","Chem.Commun.","2015","51","","14742","","10.1039/C5cc05095B","","","1.54187","","","0.1764","0.059","","","0.1339","0.1979","","","","","","0.944","","","","has coordinates","158276","2020-10-21","18:00:00",""
"7117828","10.9697","0.0014","14.1499","0.0018","16.42","0.002","93.11","0.003","108.455","0.003","112.057","0.003","2196.8","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H31 Br2 F6 I3 N6 O P -","- C27 H31 Br2 F6 I3 N6 O P -","- C54 H62 Br4 F12 I6 N12 O2 P2 -","2","1","","Sourav Chakraborty; Ranjan Dutta; Pradyut Ghosh","Halogen bonding assisted selective removal of bromide","Chem.Commun.","2015","51","","14793","","10.1039/C5cc05495H","","","0.71073","MoKα","","0.0661","0.0531","","","0.1583","0.1751","","","","","","0.609","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117829","10.6955","0.0013","13.5915","0.0017","16.862","0.002","93.543","0.003","107.602","0.003","110.756","0.003","2145.2","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H33 Cl2 F6 I3 N6 O P -","- C27 H33 Cl2 F6 I3 N6 O P -","- C54 H66 Cl4 F12 I6 N12 O2 P2 -","2","1","","Sourav Chakraborty; Ranjan Dutta; Pradyut Ghosh","Halogen bonding assisted selective removal of bromide","Chem.Commun.","2015","51","","14793","","10.1039/C5cc05495H","","","0.71073","MoKα","","0.0465","0.0411","","","0.1427","0.1474","","","","","","1.223","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117830","29.993","0.003","12.6135","0.0012","21.963","0.002","90","","109.059","0.002","90","","7853.5","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cl3 I6 N12 -","- C54 H72 Cl3 I6 N12 -","- C216 H288 Cl12 I24 N48 -","4","0.5","","Sourav Chakraborty; Ranjan Dutta; Pradyut Ghosh","Halogen bonding assisted selective removal of bromide","Chem.Commun.","2015","51","","14793","","10.1039/C5cc05495H","","","0.71073","MoKα","","0.0569","0.0484","","","0.1509","0.1623","","","","","","0.592","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117831","20.084","0.005","20.084","0.005","20.084","0.005","90","0.005","90","0.005","90","0.005","8101","3","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","Vanadium MOP","Vanadium benzenebipyrazolate","","- C84 H60 N24 O40 V12 -","- C84 H60 N24 O40 V12 -","- C168 H120 N48 O80 V24 -","2","0.0416667","","A. W. Augustyniak; M. Fandzloch; M. Domingo; I. Lakomsk; J. A. R. Navarro","A vanadium(IV) pyrazolate metal-organic polyhedron with permanent porosity and adsorption selectivity","Chem.Commun.","2015","51","","14724","","10.1039/C5cc05913E","","","0.71069","MoKα","","0.0744","0.0683","","","0.1601","0.1648","","","","","","1.25","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117832","9.2717","0.0002","5.6343","0.0001","15.8631","0.0003","90","","100.448","0.002","90","","814.94","0.03","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C36 H42 Br2 O6 -","2","1","","Pradeep R. Nareddy; Christoph Schneider","A highly enantioselective, organocatalytic [3+2]-cycloannulation reaction towards the de novo-synthesis of 1-cyclopentenyl-alpha-keto esters","Chem.Commun.","2015","51","","14797","","10.1039/C5cc05967D","","x-ray","0.71073","MoKα","","0.0424","0.0302","","","0.0618","0.0675","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117833","25.482","0.004","11.2723","0.0017","21.767","0.003","90","","124.839","0.003","90","","5131.7","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 N2 O1.5 -","- C28 H32 N2 O1.5 -","- C224 H256 N16 O12 -","8","1","","Qiang Dai; Yan Jiang; Songjin Guo; Jin-Tao Yu; Jiang Cheng","3-Aza pi-allyl palladium derived from imino migration in palladium-carbene: MCRs toward multiple substituted indole skeleton","Chem.Commun.","2015","51","","14781","","10.1039/C5cc05984D","","","0.71073","MoKα","","0.1012","0.067","","","0.2081","0.2397","","","","","","1.068","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7117834","8.225","0.002","12.718","0.003","24.068","0.006","90","","95.287","0.006","90","","2506.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 N2 O -","- C29 H32 N2 O -","- C116 H128 N8 O4 -","4","1","","Qiang Dai; Yan Jiang; Songjin Guo; Jin-Tao Yu; Jiang Cheng","3-Aza pi-allyl palladium derived from imino migration in palladium-carbene: MCRs toward multiple substituted indole skeleton","Chem.Commun.","2015","51","","14781","","10.1039/C5cc05984D","","","0.71073","MoKα","","0.1475","0.0686","","","0.1761","0.2165","","","","","","1.025","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7117835","16.978","0.002","16.7517","0.0019","10.8751","0.0013","90","","92.952","0.004","90","","3088.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 N2 O12 -","- C80 H70 N2 O12 -","- C160 H140 N4 O24 -","2","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","x-ray","0.71073","MoKα","","0.0632","0.0487","","","0.1156","0.1239","","","","","","1.06","","","","has coordinates","158281","2020-10-21","18:00:00",""
"7117836","17.1824","0.0009","10.3899","0.0005","17.8902","0.0009","90","","113.491","0.002","90","","2929.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H58 Cl4 N2 O8 -","- C74 H58 Cl4 N2 O8 -","- C148 H116 Cl8 N4 O16 -","2","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","x-ray","0.71073","MoKα","","0.0438","0.0371","","","0.0931","0.0971","","","","","","1.044","","","","has coordinates,has disorder","158281","2020-10-21","18:00:00",""
"7117837","10.3369","0.0014","17.108","0.0018","18.463","0.002","115.858","0.003","90.538","0.004","92.053","0.004","2935.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H64 N4 O12 -","- C76 H64 N4 O12 -","- C152 H128 N8 O24 -","2","1","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","x-ray","0.71073","MoKα","","0.0974","0.0765","","","0.1916","0.2059","","","","","","1.072","","","","has coordinates,has disorder","158281","2020-10-21","18:00:00",""
"7117838","10.0093","0.0004","10.5133","0.0004","16.3672","0.0007","71.388","0.002","89.742","0.002","62.504","0.002","1426.83","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H60 N4 O12 -","- C74 H60 N4 O12 -","- C74 H60 N4 O12 -","1","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","x-ray","0.71073","MoKα","","0.0484","0.0419","","","0.1136","0.1187","","","","","","1.039","","","","has coordinates","158281","2020-10-21","18:00:00",""
"7117839","8.4849","0.0007","12.661","0.0011","13.7331","0.0012","108.388","0.002","98.716","0.002","104.328","0.002","1313.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H54 N2 O8 -","- C72 H54 N2 O8 -","- C72 H54 N2 O8 -","1","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","","0.7749","synchrotron","","0.0824","0.0518","","","0.1141","0.1266","","","","","","1.043","","","","has coordinates,has disorder","158281","2020-10-21","18:00:00",""
"7117840","9.0743","0.0016","15.186","0.003","12.46","0.002","90","","106.575","0.003","90","","1645.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O8 -","- C40 H38 N2 O8 -","- C80 H76 N4 O16 -","2","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","","0.71073","MoKα","","0.0526","0.0458","","","0.1205","0.1263","","","","","","1.032","","","","has coordinates","158281","2020-10-21","18:00:00",""
"7117841","17.132","0.003","10.4771","0.0016","17.718","0.003","90","","113.969","0.003","90","","2906","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75.36 H59.36 Cl1.28 N3.36 O8 -","- C75.36 H59.36 Cl1.28 N3.36 O8 -","- C150.72 H118.72 Cl2.56 N6.72 O16 -","2","0.5","","Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu","Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex","Chem.Commun.","2015","51","","14809","","10.1039/C5cc06140G","","","0.71073","MoKα","","0.1054","0.0846","","","0.2333","0.2507","","","","","","1.052","","","","has coordinates,has disorder","158281","2020-10-21","18:00:00",""
"7117842","10.3753","0.0007","10.8525","0.0008","11.5698","0.0008","113.079","0.004","90.44","0.004","115.08","0.003","1061.59","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H52 Au2 F12 N8 P2 -","- C32 H52 Au2 F12 N8 P2 -","- C32 H52 Au2 F12 N8 P2 -","1","0.5","","V. Leich; T. P. Spaniol; J. Okuda","Formation of alpha-[KSiH3] by hydrogenolysis of potassium triphenylsilyl","Chem.Commun.","2015","51","","14772","","10.1039/C5cc06187C","","","0.71073","MoKα","","0.077","0.0653","","","0.1715","0.1768","","","","","","1.162","","","","has coordinates","158282","2020-10-21","18:00:00",""
"7117843","13.99","0.0003","15.425","0.0003","23.9686","0.0007","104.571","0.001","106.453","0.001","93.491","0.001","4752.1","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H32 F6 Ir N6 O P -","- C46 H30 F6 Ir N6 O P -","- C184 H120 F24 Ir4 N24 O4 P4 -","4","2","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.0722","0.0421","","","0.0964","0.1038","","","","","","1.004","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117844","32.5454","0.0006","12.2814","0.0002","13.942","0.0002","90","","90","","90","","5572.66","0.16","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H48 Cl Ir N6 O -","- C60 H46 Cl Ir N6 O -","- C240 H184 Cl4 Ir4 N24 O4 -","4","1","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.0383","0.0322","","","0.0566","0.0569","","","","","","1.098","","","","has coordinates","158283","2020-10-21","18:00:00",""
"7117845","32.7712","0.0007","12.3271","0.0004","13.9638","0.0004","90","","90","","90","","5641","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C60 H48 Cl Ir N6 O -","- C60 H46 Cl Ir N6 O -","- C240 H184 Cl4 Ir4 N24 O4 -","4","1","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.0427","0.0337","","","0.0659","0.0685","","","","","","1.023","","","","has coordinates","158283","2020-10-21","18:00:00",""
"7117846","33.6718","0.0017","33.6481","0.0016","13.8979","0.0006","90","","110.279","0.001","90","","14770.2","1.2","173","2","173","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C97 H68 B2 Cl12 Cu F20 Ir2 N12 O P2 -","- C97 H68 B2 Cl12 Cu F20 Ir2 N12 O P2 -","- C388 H272 B8 Cl48 Cu4 F80 Ir8 N48 O4 P8 -","4","0.5","","Chaojie Xu; Aurelie Guenet; Nathalie Kyritsakas; Jean-Marc Planeix; Mir Wais Hosseini","Molecular tectonics: heterometallic (Ir,Cu) grid-type coordination networks based on cyclometallated Ir(III) chiral metallatectons","Chem.Commun.","2015","51","","14785","","10.1039/C5cc06427A","","","0.71073","MoKα","","0.1251","0.0737","","","0.1925","0.2082","","","","","","1.043","","","","has coordinates","158283","2020-10-21","18:00:00",""
"7117847","10.1404","0.0009","25.087","0.002","27.663","0.003","90","","90","","90","","7037.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H80 F2 N4 O12 S4 -","- C74 H80 F2 N4 O12 S4 -","- C296 H320 F8 N16 O48 S16 -","4","1","","Xianfu Shen; Yongyun Zhou; Yongkai Xi; Jingfeng Zhao; Hongbin Zhang","Copper catalyzed sequential arylation-oxidative dimerization of o-haloanilides: synthesis of dimeric HPI alkaloids","Chem.Commun.","2015","51","","14873","","10.1039/C5cc05378A","","","0.71073","MoKα","","0.0596","0.0434","","","0.0969","0.1063","","","","","","1.03","","","","has coordinates","158307","2020-10-21","18:00:00",""
"7117848","8.5203","0.0003","15.4125","0.0006","11.7589","0.0005","90","","99.3033","0.0009","90","","1523.86","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1 in manuscript","","","- C28 H42 N4 S2 Si2 -","- C28 H42 N4 S2 Si2 -","- C56 H84 N8 S4 Si4 -","2","0.5","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.0451","0.0368","","","0.0918","0.0962","","","","","","1.074","","","","has coordinates","158308","2020-10-21","18:00:00",""
"7117849","7.813","0.0018","12.886","0.003","15.976","0.004","102.557","0.005","96.908","0.006","93.896","0.006","1551.2","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5 in manuscript","","","- C28 H52 N4 Si2 -","- C28 H52 N4 Si2 -","- C56 H104 N8 Si4 -","2","1","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.107","0.0586","","","0.1219","0.1387","","","","","","1.039","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117850","19.958","0.002","14.9301","0.0016","14.7268","0.0016","90","","132.098","0.002","90","","3256.1","0.6","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6 in manuscript","","","- C28 H48 N4 Si2 -","- C28 H48 N4 Si2 -","- C112 H192 N16 Si8 -","4","0.5","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.1226","0.0863","","","0.2388","0.2535","","","","","","1.122","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117851","37.446","0.008","7.8246","0.0018","30.575","0.007","90","","116.744","0.005","90","","8000","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8 in manuscript","","","- C19 H28 N4 Si -","- C19 H28 N4 Si -","- C304 H448 N64 Si16 -","16","2","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.1419","0.0657","","","0.1343","0.1739","","","","","","1.019","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117852","15.4408","0.0014","13.9268","0.0012","14.8221","0.0013","90","","103.112","0.003","90","","3104.3","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10 in manuscript","","","- C28 H48 N4 S Si2 -","- C28 H48 N4 S Si2 -","- C112 H192 N16 S4 Si8 -","4","1","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.0834","0.0545","","","0.1074","0.1235","","","","","","1.041","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117853","37.073","0.004","11.0554","0.0013","26.576","0.003","90","","118.358","0.003","90","","9585.2","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","15 in manuscript","","","- C56 H58 N4 O Si2 -","- C56 H58 N4 O Si2 -","- C448 H464 N32 O8 Si16 -","8","1","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.1588","0.0746","","","0.1518","0.1934","","","","","","1.019","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117854","18.069","0.0012","24.9858","0.0017","29.3954","0.0019","90","","101.471","0.0017","90","","13006","1.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","17 in manuscript","","","- C68 H66 Cl0 N4 Si2 -","- C68 H66 N4 Si2 -","- C544 H528 N32 Si16 -","8","2","","Philipp Biegger; Manuel Schaffroth; Kerstin Brodner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Bisalkynylated 3,6-diiminocyclohexa-1,4-diene-1,4-diamine","Chem.Commun.","2015","51","","14844","","10.1039/C5cc05427C","","","0.71073","MoKα","","0.1386","0.0855","","","0.1966","0.2237","","","","","","1.035","","","","has coordinates,has disorder","158308","2020-10-21","18:00:00",""
"7117855","9.8877","0.0003","21.2513","0.0005","11.0106","0.0004","90","","107.696","0.003","90","","2204.14","0.12","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N4 O7 -","- C42 H48 N4 O7 -","- C84 H96 N8 O14 -","2","1","","Kunru Yu; Xiaohua Liu; Xiaobin Lin; Lili Lin; Xiaoming Feng","Organocatalytic dynamic kinetic resolution of azlactones to construct chiral N-acyl amino acid oxime esters","Chem.Commun.","2015","51","","14897","","10.1039/C5cc05534B","","x-ray","1.54184","CuKα","","0.0794","0.0672","","","0.1799","0.1955","","","","","","1.073","","","","has coordinates","158309","2020-10-21","18:00:00",""
"7117856","19.3824","0.0004","19.3824","0.0004","14.8604","0.0007","90","","90","","90","","5582.7","0.3","172.9","0.3","172.9","0.3","","","","","","","","2","P 4/n","-P 4a","85","","","","- C124 H168 -","- C124 H168 -","- C248 H336 -","2","","","Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski","Thermal dimerization of [n]cumulenes (n = 5, 7, 9)","Chem.Commun.","2015","51","","14877","","10.1039/C5cc05679a","","","1.54184","CuKα","","0.0861","0.0759","","","0.1974","0.2091","","","","","","1.015","","","","has coordinates,has disorder","158310","2020-10-21","18:00:00",""
"7117857","16.2177","0.0003","9.01016","0.00014","21.3998","0.0004","90","","98.2323","0.0018","90","","3094.8","0.1","172.9","0.3","172.9","0.3","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C76 H56 -","- C76 H56 -","- C152 H112 -","2","0.5","","Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski","Thermal dimerization of [n]cumulenes (n = 5, 7, 9)","Chem.Commun.","2015","51","","14877","","10.1039/C5cc05679a","","","1.54184","CuKα","","0.068","0.0617","","","0.1866","0.1947","","","","","","1.086","","","","has coordinates,has disorder","158310","2020-10-21","18:00:00",""
"7117858","9.7822","0.0005","12.5174","0.0006","12.6361","0.0008","104.011","0.005","90.739","0.004","104.207","0.004","1451.01","0.14","173","2","173","0.01","","","","","","","","3","P -1","-P 1","2","","","","- C74 H60 Cl4 -","- C74 H60 Cl4 -","- C74 H60 Cl4 -","1","0.5","","Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski","Thermal dimerization of [n]cumulenes (n = 5, 7, 9)","Chem.Commun.","2015","51","","14877","","10.1039/C5cc05679a","","","1.5418","CuKα","","0.058","0.0529","","","0.1402","0.1474","","","","","","1.048","","","","has coordinates","158310","2020-10-21","18:00:00",""
"7117859","8.5465","0.0009","15.9683","0.0017","20.726","0.002","90","","90","","90","","2828.5","0.5","100","2","100.15","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cr2 N4 Ni O7 -","- C24 H16 Cr2 N4 Ni O7 -","- C96 H64 Cr8 N16 Ni4 O28 -","4","0.5","","Hayley S. Scott; Alankriti Bajpai; Kai-Jie Chen; Tony Pham; Brian Space; John J. Perry,IV; Michael J. Zaworotko","Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n","Chem.Commun.","2015","51","","14832","","10.1039/C5cc05866J","","","1.54178","CuKα","","0.1902","0.0956","","","0.204","0.2406","","","","","","0.982","","","","has coordinates,has disorder","158311","2020-10-21","18:00:00",""
"7117860","11.7262","0.0004","12.1957","0.0004","13.2281","0.0004","87.934","0.001","75.058","0.001","82.308","0.001","1811.33","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 O2 P Ru S2 Si -","- C41 H41 O2 P Ru S2 Si -","- C82 H82 O4 P2 Ru2 S4 Si2 -","2","1","","Julia Weismann; Viktoria H. Gessner","Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex","Chem.Commun.","2015","51","","14909","","10.1039/C5cc05201G","","","0.71073","MoKα","","0.0213","0.0199","","","0.0507","0.0516","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117861","9.3712","0.0007","13.5265","0.0009","17.6717","0.0012","97.379","0.002","97.74","0.002","101.302","0.002","2148.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H49 O2 P Ru S2 Si -","- C50.5 H49 O2 P Ru S2 Si -","- C101 H98 O4 P2 Ru2 S4 Si2 -","2","1","","Julia Weismann; Viktoria H. Gessner","Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex","Chem.Commun.","2015","51","","14909","","10.1039/C5cc05201G","","","0.71073","MoKα","","0.0369","0.0287","","","0.0756","0.0803","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117862","19.017","0.0009","8.552","0.0004","20.5995","0.001","90","","105.15","0.002","90","","3233.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 O2 P Ru S2 Si -","- C35 H37 O2 P Ru S2 Si -","- C140 H148 O8 P4 Ru4 S8 Si4 -","4","1","","Julia Weismann; Viktoria H. Gessner","Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex","Chem.Commun.","2015","51","","14909","","10.1039/C5cc05201G","","","0.71073","MoKα","","0.0246","0.0201","","","0.0502","0.0526","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117864","7.8954","0.0006","24.3573","0.0018","12.7445","0.0009","90","","94.249","0.003","90","","2444.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N4 O5 -","- C23 H22 F N4 O5 -","- C92 H88 F4 N16 O20 -","4","1","","Sha, Shao; Han, Hong-Wei; Gao, Fei; Liu, Tian-Bao; Li, Zhen; Xu, Chi; Zhong, Wei-Qing; Zhu, Hai-Liang","Discovery of fluoroquinolone derivatives as potent, selective inhibitors of PI3Kγ","Med. Chem. Commun.","2015","6","11","2029","","10.1039/C5MD00364D","","","0.71073","MoKα","","0.1921","0.1481","","","0.4093","0.4323","","","","","","1.679","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7117867","18.5283","0.0004","18.5283","0.0004","38.8075","0.0008","90","","90","","120","","11537.7","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H6 Cu F3 O5 -","- C12 H6 Cu F3 O5 -","- C216 H108 Cu18 F54 O90 -","18","0.5","","Chang, Ganggang; Li, Bin; Wang, Hailong; Bao, Zongbi; Yildirim, Taner; Yao, Zizhu; Xiang, Shengchang; Zhou, Wei; Chen, Banglin","A microporous metal-organic framework with polarized trifluoromethyl groups for high methane storage.","Chemical communications (Cambridge, England)","2015","51","79","14789","14792","10.1039/c5cc05850c","","","1.54184","CuKα","","0.0627","0.0583","","","0.1917","0.1975","","","","","","1.282","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117868","7.1095","0.0002","9.5924","0.0004","13.2708","0.0004","83.938","0.003","84.247","0.003","86.754","0.003","894.47","0.05","278.18","0.1","278.18","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N2 O10 Zn -","- C16 H17 N2 O10 Zn -","- C32 H34 N4 O20 Zn2 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Ren, Zhi-Gang; Lang, Jian-Ping","A 1D anionic coordination polymer showing superior Congo Red sorption and its dye composite exhibiting remarkably enhanced photocurrent response.","Chemical communications (Cambridge, England)","2015","51","80","14893","14896","10.1039/c5cc05990a","","","0.71073","MoKα","","0.029","0.0268","","","0.0677","0.069","","","","","","1.079","","","","has coordinates","160598","2020-10-21","18:00:00",""
"7117869","13.6","0.004","14.111","0.005","16.306","0.005","106.28","0.05","94.05","0.04","118.05","0.05","2574","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,3',3'',6,6',6''-hexabromo-9,9',9'',9''',9''''9'''''-hexaethyl)[2.2.2]-(2,7)-fluorenophanetriene","","- C58 H50 Br6 Cl2 -","- C58 H50 Br6 Cl2 -","- C116 H100 Br12 Cl4 -","2","1","","Majewski, Marcin A.; Lis, Tadeusz; Cybińska, Joanna; Stępień, Marcin","Chrysaorenes: assembling coronoid hydrocarbons via the fold-in synthesis.","Chemical communications (Cambridge, England)","2015","51","82","15094","15097","10.1039/c5cc06046j","","","0.71073","MoKα","","0.1047","0.0597","","","0.0951","0.1138","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117870","29.202","0.005","17.637","0.001","14.745","0.008","90","","90","","90","","7594","4","79.9","0.4","79.9","0.4","","","","","","","","3","P b c n","-P 2n 2ab","60","","(3,3',3'',3''',6,6',6'',6'''-octabromo-9,9',9'',9''',9''''9''''',9'''''',9'''''''-octaethyl)[2.2.2.2]-(2,7)-fluorenephanetetraene","","- C90 H80 Br8 -","- C90 H80 Br8 -","- C360 H320 Br32 -","4","0.5","","Majewski, Marcin A.; Lis, Tadeusz; Cybińska, Joanna; Stępień, Marcin","Chrysaorenes: assembling coronoid hydrocarbons via the fold-in synthesis.","Chemical communications (Cambridge, England)","2015","51","82","15094","15097","10.1039/c5cc06046j","","","0.71073","MoKα","","0.0837","0.0496","","","0.1165","0.1342","","","","","","1.025","","","","has coordinates","171424","2020-10-21","18:00:00",""
"7117871","18.3143","0.001","18.3143","0.001","6.1688","0.0005","90","","90","","120","","1791.9","0.2","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Co N O5 P -","- C9 H16 Co N O5 P -","- C54 H96 Co6 N6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0508","0.0455","","","0.1414","0.1524","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117872","18.288","0.008","18.288","0.008","6.168","0.004","90","","90","","120","","1786.5","1.6","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 Co N O5 P -","- C9 H16 Co N O5 P -","- C54 H96 Co6 N6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0602","0.0522","","","0.1233","0.126","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117873","18.0812","0.0015","18.0812","0.0015","6.1296","0.0006","90","","90","","120","","1735.5","0.3","291","2","291","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 N Ni O5 P -","- C9 H16 N Ni O5 P -","- C54 H96 N6 Ni6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.0351","0.0313","","","0.0818","0.1036","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117874","18.1621","0.0006","18.1621","0.0006","6.168","0.007","90","","90","","120","","1762","2","296","2","296","2","","","","","","","","6","P 63","P 6c","173","","","","- C9 H16 N Ni O5 P -","- C9 H16 N Ni O5 P -","- C54 H96 N6 Ni6 O30 P6 -","6","1","","Liu, Xun-Gao; Bao, Song-Song; Huang, Jian; Otsubo, Kazuya; Feng, Jian-Shen; Ren, Min; Hu, Feng-Chun; Sun, Zhihu; Zheng, Li-Min; Wei, Shiqiang; Kitagawa, Hiroshi","Homochiral metal phosphonate nanotubes.","Chemical communications (Cambridge, England)","2015","51","82","15141","15144","10.1039/c5cc05647k","","","0.71073","MoKα","","0.094","0.0487","","","0.0632","0.0736","","","","","","0.939","","","","has coordinates","160600","2020-10-21","18:00:00",""
"7117875","10.16597","0.00016","10.5116","0.0003","15.531","0.0003","76.518","0.001","78.361","0.001","80.796","0.001","1569.58","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H39 Cl2 Ir N O2 P S -","- C32 H39 Cl2 Ir N O2 P S -","- C64 H78 Cl4 Ir2 N2 O4 P2 S2 -","2","1","","Oldenhof, S.; Lutz, M.; van der Vlugt, J. I.; Reek, J. N. H.","Intermolecular C-H activation with an Ir-METAMORPhos piano-stool complex - multiple reaction steps at a reactive ligand.","Chemical communications (Cambridge, England)","2015","51","82","15200","15203","10.1039/c5cc05916j","","","0.71073","MoKα","","0.012","0.0117","","","0.0297","0.0298","","","","","","1.091","","","","has coordinates","160601","2020-10-21","18:00:00",""
"7117876","14.3385","0.0017","14.6511","0.0017","15.2223","0.0018","90","","107.913","0.0017","90","","3042.8","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl Ir N O2 P S -","- C32 H38 Cl Ir N O2 P S -","- C128 H152 Cl4 Ir4 N4 O8 P4 S4 -","4","1","","Oldenhof, S.; Lutz, M.; van der Vlugt, J. I.; Reek, J. N. H.","Intermolecular C-H activation with an Ir-METAMORPhos piano-stool complex - multiple reaction steps at a reactive ligand.","Chemical communications (Cambridge, England)","2015","51","82","15200","15203","10.1039/c5cc05916j","","","0.71073","MoKα","","0.0126","0.0118","","","0.0293","0.0296","","","","","","1.083","","","","has coordinates","160601","2020-10-21","18:00:00",""
"7117877","22.7439","0.0008","18.8669","0.0007","17.573","0.0006","90","","106.106","0.0015","90","","7244.7","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","SO834E","","","- C40 H44 Cl Ir N O2 P S -","- C40 H44 Cl Ir N O2 P S -","- C320 H352 Cl8 Ir8 N8 O16 P8 S8 -","8","1","","Oldenhof, S.; Lutz, M.; van der Vlugt, J. I.; Reek, J. N. H.","Intermolecular C-H activation with an Ir-METAMORPhos piano-stool complex - multiple reaction steps at a reactive ligand.","Chemical communications (Cambridge, England)","2015","51","82","15200","15203","10.1039/c5cc05916j","","","0.71073","","","0.0292","0.0226","","","0.0642","0.0707","","","","","","1.073","","","","has coordinates","160601","2020-10-21","18:00:00",""
"7117878","12.0078","0.0005","19.6299","0.0009","20.8822","0.0008","97.198","0.004","98.706","0.003","96.895","0.003","4778.4","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 Cl2 O10 -","- C54 H52 Cl2 O10 -","- C216 H208 Cl8 O40 -","4","2","","Wei, Peifa; Li, Debing; Shi, Bingbing; Wang, Qi; Huang, Feihe","An anthracene-appended 2:3 copillar[5]arene: synthesis, computational studies, and application in highly selective fluorescence sensing for Fe(iii) ions.","Chemical communications (Cambridge, England)","2015","51","82","15169","15172","10.1039/c5cc06682d","","","0.71073","MoKα","","0.1515","0.1094","","","0.2949","0.338","","","","","","1.045","","","","has coordinates","160602","2020-10-21","18:00:00",""
"7117879","6.7978","0.0007","7.3605","0.0007","29.386","0.003","90","","90","","90","","1470.3","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenyl-2,5-dihydrofuran-2-carboxylic acid","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Shi, Taoda; Guo, Xin; Teng, Shenghan; Hu, Wenhao","Pd(ii)-catalyzed formal [4+1] cycloaddition reactions of diazoacetates and aryl propargyl alcohols to form 2,5-dihydrofurans.","Chemical communications (Cambridge, England)","2015","51","82","15204","15207","10.1039/c5cc05000f","","","0.71073","MoKα","","0.0742","0.0541","","","0.1486","0.1607","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117880","35.2807","0.0014","35.2807","0.0014","10.4598","0.0004","90","","90","","120","","11275.3","0.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C113.67 H108 Cl11 I12 N24 Pd6 -","- C113.5 H108 Cl11.04 I12 N24 Pd6 -","- C340.5 H324 Cl33.12 I36 N72 Pd18 -","3","0.166667","","Maity, Ramananda; Mekic, Amel; van der Meer, Margarethe; Verma, Amit; Sarkar, Biprajit","Triply cyclometalated trinuclear iridium(iii) and trinuclear palladium(ii) complexes with a tri-mesoionic carbene ligand.","Chemical communications (Cambridge, England)","2015","51","82","15106","15109","10.1039/c5cc05506g","","","0.71073","MoKα","","0.0572","0.0418","","","0.0957","0.1034","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117881","10.9675","0.0014","9.6145","0.0012","9.9881","0.0012","90","","114.179","0.002","90","","960.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Dy O10 -","- C3 H8 Dy O10 -","- C12 H32 Dy4 O40 -","4","1","","Zhang, Sheng; Ke, Hongshan; Liu, Xiangyu; Wei, Qing; Xie, Gang; Chen, Sanping","A nine-coordinated dysprosium(iii) compound with an oxalate-bridged dysprosium(iii) layer exhibiting two slow magnetic relaxation processes.","Chemical communications (Cambridge, England)","2015","51","82","15188","15191","10.1039/c5cc05694b","","","0.71073","MoKα","","0.0425","0.0373","","","0.1324","0.1464","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117882","11.144","0.0002","11.7173","0.0002","13.5405","0.0002","80.6465","0.0011","68.8848","0.001","63.5599","0.001","1476.84","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","JSRhGu","","- C27 H35 Cl5 N3 Rh -","- C27 H35 Cl5 N3 Rh -","- C54 H70 Cl10 N6 Rh2 -","2","1","","Cajaraville, Ana; Suárez, Jaime; López, Susana; Varela, Jesús A; Saá, Carlos","Rh(iii)-catalyzed [5+1] oxidative cycloaddition of arylguanidines with alkynes: a novel access to C4-disubstituted 1,4-dihydroquinazolin-2-amines.","Chemical communications (Cambridge, England)","2015","51","82","15157","15160","10.1039/c5cc06388d","","x-ray","0.71073","MoKα","","0.0466","0.0344","","","0.0646","0.0686","","","","","","1.057","","","","has coordinates","160607","2020-10-21","18:00:00",""
"7117883","15.6033","0.0008","11.0447","0.0005","16.5835","0.0009","90","","99.361","0.003","90","","2819.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","JSRhGual","","- C31 H41 Cl N3 Rh -","- C31 H41 Cl N3 Rh -","- C124 H164 Cl4 N12 Rh4 -","4","1","","Cajaraville, Ana; Suárez, Jaime; López, Susana; Varela, Jesús A; Saá, Carlos","Rh(iii)-catalyzed [5+1] oxidative cycloaddition of arylguanidines with alkynes: a novel access to C4-disubstituted 1,4-dihydroquinazolin-2-amines.","Chemical communications (Cambridge, England)","2015","51","82","15157","15160","10.1039/c5cc06388d","","x-ray","0.71073","MoKα","","0.1292","0.0726","","","0.1123","0.1294","","","","","","1.05","","","","has coordinates,has disorder","160607","2020-10-21","18:00:00",""
"7117884","29.479","0.0008","12.053","0.0003","11.6531","0.0003","90","","108.029","0.002","90","","3937.17","0.18","571","2","571","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O2 -","- C24 H20 N2 O2 -","- C192 H160 N16 O16 -","8","1","","Chen, Xun; Xie, Ying; Xiao, Xinsheng; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Rh(iii)-catalyzed chelation-assisted intermolecular carbenoid functionalization of α-imino Csp(3)-H bonds.","Chemical communications (Cambridge, England)","2015","51","83","15328","15331","10.1039/c5cc06428g","","","1.54178","CuKα","","0.0439","0.0396","","","0.1129","0.1192","","","","","","0.674","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117885","15.4468","0.0004","12.2137","0.0003","10.5709","0.0003","90","","90.313","0.003","90","","1994.3","0.09","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 S -","- C23 H20 N2 O2 S -","- C92 H80 N8 O8 S4 -","4","1","","Chen, Xun; Xie, Ying; Xiao, Xinsheng; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Rh(iii)-catalyzed chelation-assisted intermolecular carbenoid functionalization of α-imino Csp(3)-H bonds.","Chemical communications (Cambridge, England)","2015","51","83","15328","15331","10.1039/c5cc06428g","","","1.54178","CuKα","","0.0585","0.0542","","","0.1537","0.1591","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117886","26.582","0.004","26.582","0.004","39.19","0.008","90","","90","","90","","27692","8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C111 H156 Cu6 N11 O50 -","- C67 H31 Cu6 O30 -","- C536 H248 Cu48 O240 -","8","0.5","","Wang, Dongmei; Liu, Bing; Yao, Shuo; Wang, Tao; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A polyhedral metal-organic framework based on the supermolecular building block strategy exhibiting high performance for carbon dioxide capture and separation of light hydrocarbons.","Chemical communications (Cambridge, England)","2015","51","83","15287","15289","10.1039/c5cc06162h","","","0.71073","MoKα","","0.0558","0.0385","","","0.1038","0.1088","","","","","","1.024","","","","has coordinates,has disorder","160609","2020-10-21","18:00:00",""
"7117887","48.4142","0.001","11.8956","0.0002","22.5531","0.0004","90","","94.643","0.002","90","","12946.1","0.4","433","2","433","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10.17 H11.33 N1.33 O2 -","- C10.1667 H11.3333 N1.33333 O2 -","- C488 H544 N64 O96 -","48","6","","Zhang, Qian; Zhang, Chun-Hang; Yang, Jun-Hui; Xin, Peng-Yang; Xuan, Xiao-Peng; Wang, Jian-Ge; Ma, Na-Na; Guo, Hai-Ming; Qu, Gui-Rong","A four-unit [c2]daisy chain connected by hydrogen bonds.","Chemical communications (Cambridge, England)","2015","51","83","15253","15256","10.1039/c5cc07130e","","","1.54178","CuKα","","0.1067","0.0897","","","0.2701","0.2915","","","","","","1.137","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117888","6.8366","0.0014","10.967","0.002","14.884","0.003","111.35","0.03","97.42","0.03","92.39","0.03","1025.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Fe7 N2 O40 -","- C18 H30 Fe7 N2 O40 -","- C18 H30 Fe7 N2 O40 -","1","0.5","","Wu, Qi-Long; Han, Song-De; Wang, Qing-Lun; Zhao, Jiong-Peng; Ma, Feng; Jiang, Xue; Liu, Fu-Chen; Bu, Xian-He","Divalent metal ions modulated strong frustrated M(ii)-Fe(iii)3O (M = Fe, Mn, Mg) chains with metamagnetism only in a mixed valence iron complex.","Chemical communications (Cambridge, England)","2015","51","83","15336","15339","10.1039/c5cc05481h","","","0.71073","MoKα","","0.1188","0.0884","","","0.1908","0.2038","","","","","","1.171","","","","has coordinates","160611","2020-10-21","18:00:00",""
"7117889","6.8216","0.0014","10.968","0.002","14.889","0.003","111.14","0.03","97.28","0.03","92.22","0.03","1026.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Fe6 Mn N2 O40 -","- C18 H30 Fe6 Mn N2 O40 -","- C18 H30 Fe6 Mn N2 O40 -","1","0.5","","Wu, Qi-Long; Han, Song-De; Wang, Qing-Lun; Zhao, Jiong-Peng; Ma, Feng; Jiang, Xue; Liu, Fu-Chen; Bu, Xian-He","Divalent metal ions modulated strong frustrated M(ii)-Fe(iii)3O (M = Fe, Mn, Mg) chains with metamagnetism only in a mixed valence iron complex.","Chemical communications (Cambridge, England)","2015","51","83","15336","15339","10.1039/c5cc05481h","","","0.71073","MoKα","","0.1652","0.1391","","","0.27","0.2829","","","","","","1.15","","","","has coordinates","160611","2020-10-21","18:00:00",""
"7117890","6.8025","0.0014","10.887","0.002","14.826","0.003","111.43","0.03","97.52","0.03","92.24","0.03","1008.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Fe6 Mg N2 O40 -","- C18 H30 Fe6 Mg N2 O40 -","- C18 H30 Fe6 Mg N2 O40 -","1","0.5","","Wu, Qi-Long; Han, Song-De; Wang, Qing-Lun; Zhao, Jiong-Peng; Ma, Feng; Jiang, Xue; Liu, Fu-Chen; Bu, Xian-He","Divalent metal ions modulated strong frustrated M(ii)-Fe(iii)3O (M = Fe, Mn, Mg) chains with metamagnetism only in a mixed valence iron complex.","Chemical communications (Cambridge, England)","2015","51","83","15336","15339","10.1039/c5cc05481h","","","0.71073","MoKα","","0.0411","0.035","","","0.0832","0.0858","","","","","","1.084","","","","has coordinates","160611","2020-10-21","18:00:00",""
"7117891","10.428","0.003","14.031","0.004","17.164","0.005","85.171","0.01","80.935","0.009","82.229","0.01","2452.1","1.2","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C28 H23 N O2 S2 -","- C28 H23 N O2 S2 -","- C112 H92 N4 O8 S8 -","4","2","","Dwivedi, Vikas; Hari Babu, Madala; Kant, Ruchir; Sridhar Reddy, Maddi","N-Substitution dependent stereoselectivity switch in palladium catalyzed hydroalkynylation of ynamides: a regio and stereoselective synthesis of ynenamides.","Chemical communications (Cambridge, England)","2015","51","81","14996","14999","10.1039/c5cc06251a","","","0.71075","MoKα","","0.1316","0.0603","","","0.1459","0.1738","","","","","","0.964","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117892","14.816","0.005","7.625","0.002","15.92","0.005","90","","108.298","0.006","90","","1707.6","0.9","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F3 N O2 -","- C20 H14 F3 N O2 -","- C80 H56 F12 N4 O8 -","4","1","","Dwivedi, Vikas; Hari Babu, Madala; Kant, Ruchir; Sridhar Reddy, Maddi","N-Substitution dependent stereoselectivity switch in palladium catalyzed hydroalkynylation of ynamides: a regio and stereoselective synthesis of ynenamides.","Chemical communications (Cambridge, England)","2015","51","81","14996","14999","10.1039/c5cc06251a","","","0.71075","MoKα","","0.0975","0.0552","","","0.133","0.1471","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117893","7.9578","0.0019","10.706","0.003","27.133","0.007","90","","90","","90","","2311.6","1","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Dwivedi, Vikas; Hari Babu, Madala; Kant, Ruchir; Sridhar Reddy, Maddi","N-Substitution dependent stereoselectivity switch in palladium catalyzed hydroalkynylation of ynamides: a regio and stereoselective synthesis of ynenamides.","Chemical communications (Cambridge, England)","2015","51","81","14996","14999","10.1039/c5cc06251a","","","0.71075","MoKα","","0.0612","0.0438","","","0.0874","0.092","","","","","","0.874","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117894","6.4707","0.0011","11.8959","0.0019","12.415","0.002","76.422","0.006","87.715","0.008","74.476","0.006","894.8","0.3","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C25 H17 N O -","- C25 H17 N O -","- C50 H34 N2 O2 -","2","1","","Dwivedi, Vikas; Hari Babu, Madala; Kant, Ruchir; Sridhar Reddy, Maddi","N-Substitution dependent stereoselectivity switch in palladium catalyzed hydroalkynylation of ynamides: a regio and stereoselective synthesis of ynenamides.","Chemical communications (Cambridge, England)","2015","51","81","14996","14999","10.1039/c5cc06251a","","","0.71075","MoKα","","0.0512","0.0453","","","0.1086","0.1115","","","","","","0.98","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117895","5.1724","0.0001","11.6911","0.0001","31.9993","0.0003","90","","91.346","0.001","90","","1934.5","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 S7 -","- C16 H16 N2 S7 -","- C64 H64 N8 S28 -","4","2","","Amacher, Anneliese M.; Puigmartí-Luis, Josep; Geng, Yan; Lebedev, Victor; Laukhin, Vladimir; Krämer, Karl; Hauser, Jürg; Amabilino, David B.; Decurtins, Silvio; Liu, Shi-Xia","Coordination-directed self-assembly of a simple benzothiadiazole-fused tetrathiafulvalene to low-bandgap metallogels.","Chemical communications (Cambridge, England)","2015","51","81","15063","15066","10.1039/c5cc06819c","","","0.71073","MoKα","","0.0648","0.0474","","","0.1011","0.1118","","","","","","1.023","","","","has coordinates,has disorder","160613","2020-10-21","18:00:00",""
"7117896","15.1376","0.0007","13.3253","0.0007","26.6562","0.0012","90","","99.733","0.002","90","","5299.5","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 Ce N4 O6 -","- C60 H76 Ce N4 O6 -","- C240 H304 Ce4 N16 O24 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Bidentate nitroxide ligands stable toward oxidative redox cycling and their complexes with cerium and lanthanum.","Chemical communications (Cambridge, England)","2015","51","81","15047","15050","10.1039/c5cc06052d","","","0.71073","MoKα","","0.0386","0.0307","","","0.0688","0.0717","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117897","10.0002","0.0004","9.8745","0.0004","27.4051","0.001","90","","96.384","0.002","90","","2689.39","0.18","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O3 -","- C30 H40 N2 O3 -","- C120 H160 N8 O12 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Bidentate nitroxide ligands stable toward oxidative redox cycling and their complexes with cerium and lanthanum.","Chemical communications (Cambridge, England)","2015","51","81","15047","15050","10.1039/c5cc06052d","","","0.71073","MoKα","","0.0568","0.0479","","","0.1068","0.1104","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117912","10.9592","0.0012","11.0891","0.0012","22.818","0.003","90","","90","","90","","2773","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl Ir N2 -","- C33 H34 Cl Ir N2 -","- C132 H136 Cl4 Ir4 N8 -","4","1","","Kazuhiro Yoshida; Takumi Kamimura; Hiroshi Kuwabara; Akira Yanagisawa","Chiral bicyclic NHC/Ir complexes for catalytic asymmetric transfer hydrogenation of ketones","Chem.Commun.","2015","51","","15442","","10.1039/C5cc05318H","","","0.71073","MoKα","","0.0599","0.04","","","0.0749","0.0938","","","","","","0.986","","","","has coordinates","165890","2020-10-21","18:00:00",""
"7117913","8.0761","0.0004","15.8222","0.0008","28.1212","0.0015","90","","90","","90","","3593.4","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 Cl3 Ir N2 -","- C40 H48 Cl3 Ir N2 -","- C160 H192 Cl12 Ir4 N8 -","4","1","","Kazuhiro Yoshida; Takumi Kamimura; Hiroshi Kuwabara; Akira Yanagisawa","Chiral bicyclic NHC/Ir complexes for catalytic asymmetric transfer hydrogenation of ketones","Chem.Commun.","2015","51","","15442","","10.1039/C5cc05318H","","","0.71073","MoKα","","0.026","0.0227","","","0.0513","0.0727","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117914","5.48","0.0011","5.701","0.007","16.319","0.003","90","","91.316","0.008","90","","509.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F4 Mo Na2 O2 -","- F4 Mo Na2 O2 -","- F16 Mo4 Na8 O8 -","4","1","","Hajime Ishikawa; Irene Munao; Bela E. Bode; Zenji Hiroi; Philip Lightfoot","Na2MoO2-deltaF4+delta - a perovskite with a unique combination of atomic orderings and octahedral tilts","Chem.Commun.","2015","51","","15469","","10.1039/C5cc05446J","","","0.71075","MoKα","","0.0153","0.014","","","0.0377","0.0381","","","","","","1.142","","","","has coordinates","288194","2023-12-08","17:24:16",""
"7117915","12.9279","0.0006","7.923","0.0003","14.2519","0.0006","90","","98.232","0.001","90","","1444.75","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Sachin Bhausahe Wagh; Rai-Shung Liu","Gold-catalyzed reactions of propargylic esters with vinylazides for the synthesis of Z- or E-configured buta-1,3-dien-2-yl esters","Chem.Commun.","2015","51","","15462","","10.1039/C5cc05945C","","","0.71073","MoKα","","0.0458","0.0375","","","0.0891","0.0948","","","","","","1.037","","","","has coordinates","165892","2020-10-21","18:00:00",""
"7117916","9.552","0.004","12.156","0.006","17.626","0.007","77.672","0.01","75.089","0.007","66.894","0.007","1804.4","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H112 B2 Cr2 N14 O4 -","- C64 H112 B2 Cr2 N14 O4 -","- C64 H112 B2 Cr2 N14 O4 -","1","0.5","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1128","0.0799","","","0.2201","0.2506","","","","","","1.034","","","","has coordinates,has disorder","165893","2020-10-21","18:00:00",""
"7117917","10.976","0.002","15.479","0.003","21.013","0.005","90","","96.879","0.004","90","","3544.4","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B Cr N7 -","- C34 H55 B Cr N7 -","- C136 H220 B4 Cr4 N28 -","4","1","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1138","0.0585","","","0.1297","0.1538","","","","","","1.009","","","","has coordinates","165893","2020-10-21","18:00:00",""
"7117918","9.7601","0.0009","12.9429","0.0011","17.3259","0.0015","75.376","0.003","73.639","0.003","68.607","0.003","1927.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H124 B2 Cr2 N14 O2 -","- C68 H124 B2 Cr2 N14 O2 -","- C68 H124 B2 Cr2 N14 O2 -","1","0.5","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.0747","0.0536","","","0.1292","0.1435","","","","","","1.015","","","","has coordinates,has disorder","165893","2020-10-21","18:00:00",""
"7117919","9.4997","0.0007","26.8005","0.0019","14.0071","0.001","90","","95.321","0.001","90","","3550.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H108 B2 Cr2 N14 O2 -","- C62 H108 B2 Cr2 N14 O2 -","- C124 H216 B4 Cr4 N28 O4 -","2","0.5","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.0862","0.0637","","","0.1675","0.1857","","","","","","1.041","","","","has coordinates,has disorder","165893","2020-10-21","18:00:00",""
"7117920","14.441","0.002","14.441","0.002","9.8961","0.0016","90","","90","","120","","1787.3","0.5","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C34 H58 B Cr N6 O5 -","- C30 H46 B Cr N6 O3 -","- C60 H92 B2 Cr2 N12 O6 -","2","0.333333","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1338","0.071","","","0.1657","0.194","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117921","13.129","0.003","16.903","0.004","17.292","0.004","97.804","0.003","91.134","0.003","90.927","0.004","3800.5","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 B Cr N6 Si2 -","- C32 H58 B Cr N6 Si2 -","- C128 H232 B4 Cr4 N24 Si8 -","4","2","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.0588","0.0469","","","0.1239","0.135","","","","","","1.005","","","","has coordinates,has disorder","165893","2020-10-21","18:00:00",""
"7117922","12.973","0.002","14.797","0.003","18.908","0.003","71.013","0.003","74.824","0.003","73.01","0.003","3226.1","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H95 B2 Cr2 N12 O4.5 -","- C57 H95 B2 Cr2 N12 O4.5 -","- C114 H190 B4 Cr4 N24 O9 -","2","1","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.0736","0.0546","","","0.1425","0.1602","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117923","11.792","0.003","13.394","0.003","18.815","0.004","86.554","0.004","87.189","0.004","77.25","0.004","2891.2","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H84 B2 Cr2 N12 -","- C50 H84 B2 Cr2 N12 -","- C100 H168 B4 Cr4 N24 -","2","1","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.0934","0.0626","","","0.1542","0.1761","","","","","","1.005","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7117924","9.852","0.005","19.085","0.009","15.557","0.007","90","","90.209","0.008","90","","2925","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 B Cr N6 -","- C28 H46 B Cr N6 -","- C112 H184 B4 Cr4 N24 -","4","1","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1192","0.0701","","","0.1652","0.1878","","","","","","1.052","","","","has coordinates","165893","2020-10-21","18:00:00",""
"7117925","11.0663","0.001","18.0587","0.0016","23.05","0.002","90","","96.87","0.002","90","","4573.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 B Cr N6 O -","- C49 H63 B Cr N6 O -","- C196 H252 B4 Cr4 N24 O4 -","4","1","","Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold","Mechanism-based design of labile precursors for chromium(I) chemistry","Chem.Commun.","2015","51","","15402","","10.1039/C5cc05993C","","","0.71073","MoKα","","0.1105","0.0669","","","0.1703","0.1885","","","","","","1.239","","","","has coordinates","165893","2020-10-21","18:00:00",""
"7117926","8.606","0.002","18.251","0.01","14.997","0.007","90","","91.994","0.015","90","","2354.1","1.8","99","2","99","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B Cl Fe O3 P Si -","- C19 H31 B Cl Fe O3 P Si -","- C76 H124 B4 Cl4 Fe4 O12 P4 Si4 -","4","1","","Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye","1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group","Chem.Commun.","2015","51","","15465","","10.1039/C5cc06425B","","","0.71073","MoKα","","0.032","0.0246","","","0.0623","0.0691","","","","","","1.1","","","","has coordinates","165894","2020-10-21","18:00:00",""
"7117927","10.1597","0.0016","12.9","0.002","10.7901","0.0018","90","","105.385","0.005","90","","1363.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Fe2 O6 P2 Si2 -","- C20 H38 Fe2 O6 P2 Si2 -","- C40 H76 Fe4 O12 P4 Si4 -","2","0.5","","Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye","1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group","Chem.Commun.","2015","51","","15465","","10.1039/C5cc06425B","","","0.71073","MoKα","","0.0292","0.0244","","","0.0634","0.066","","","","","","1.05","","","","has coordinates","165894","2020-10-21","18:00:00",""
"7117928","9.1382","0.0006","12.4474","0.0008","11.8729","0.0008","90","","96.852","0.002","90","","1340.86","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H38 Fe2 O5 P2 Si2 -","- C19 H38 Fe2 O5 P2 Si2 -","- C38 H76 Fe4 O10 P4 Si4 -","2","1","","Holger Braunschweig; Rian D. Dewhurst; Krzysztof Radacki; Benedikt Wennemann; Qing Ye","1,2-Halosilane vs. 1,2-alkylborane elimination from (boryl)(silyl) complexes of iron: switching between borylenes and silylenes just by changing the alkyl group","Chem.Commun.","2015","51","","15465","","10.1039/C5cc06425B","","","0.71073","MoKα","","0.0202","0.0191","","","0.0426","0.0429","","","","","","0.992","","","","has coordinates","165894","2020-10-21","18:00:00",""
"7117929","5.5598","0.0009","16.478","0.003","19.769","0.003","90","","90","","90","","1811.1","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br N2 O2 -","- C19 H19 Br N2 O2 -","- C76 H76 Br4 N8 O8 -","4","1","","Liang Wei; Chun-Jiang Wang","The catalytic asymmetric synthesis of tetrahydropyridazines via inverse electron-demand aza-Diels-Alder reaction of enol ethers with azoalkenes","Chem.Commun.","2015","51","","15374","","10.1039/C5cc06465A","","","0.71073","MoKα","","0.0831","0.043","","","0.0961","0.1111","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117930","11.5823","0.0002","17.9907","0.0005","14.1292","0.0003","90","","111.687","0.002","90","","2735.76","0.11","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H78 K N5 O8 Si6 U -","- C32 H78 K N5 O8 Si6 U -","- C64 H156 K2 N10 O16 Si12 U2 -","2","0.5","","Clement Camp; Lucile Chatelain; Christos E. Kefalidis; Jacques Pecaut; Laurent Maron; Marinella Mazzanti","CO2 conversion to isocyanate via multiple N-Si bond cleavage at a bulky uranium(III) complex","Chem.Commun.","2015","51","","15454","","10.1039/C5cc06707C","","","0.71073","MoKα","","0.0493","0.0353","","","0.0673","0.0718","","","","","","1.091","","","","has coordinates,has disorder","165896","2020-10-21","18:00:00",""
"7117931","11.097","0.0007","22.1612","0.0016","16.3266","0.0011","90","","90.525","0.002","90","","4014.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Dy N9 O13 -","- C36 H38 Dy N9 O13 -","- C144 H152 Dy4 N36 O52 -","4","1","","Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong","Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition","Chem.Commun.","2015","51","","15358","","10.1039/C5cc07073B","","","0.71073","MoKα","","0.0616","0.0489","","","0.11","0.1175","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117932","11.039","0.0003","21.826","0.0004","16.5559","0.0003","90","","93.732","0.001","90","","3980.47","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Dy2 N18 O26 -","- C72 H76 Dy2 N18 O26 -","- C144 H152 Dy4 N36 O52 -","2","0.5","","Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong","Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition","Chem.Commun.","2015","51","","15358","","10.1039/C5cc07073B","","","0.71073","MoKα","","0.0371","0.0324","","","0.0763","0.0783","","","","","","1.038","","","","has coordinates,has disorder","165897","2020-10-21","18:00:00",""
"7117933","11.0672","0.0002","22.1008","0.0005","16.3215","0.0004","90","","90.754","0.002","90","","3991.79","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Dy0.06 N9 O13 Y0.94 -","- C36 H38 Dy0.06 N9 O13 Y0.94 -","- C144 H152 Dy0.24 N36 O52 Y3.76 -","4","1","","Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong","Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition","Chem.Commun.","2015","51","","15358","","10.1039/C5cc07073B","","","0.71073","MoKα","","0.0708","0.0565","","","0.0969","0.1012","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117934","11.0563","0.0005","21.8263","0.001","16.5576","0.001","90","","93.631","0.004","90","","3987.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Dy0.11 N18 O26 Y1.89 -","- C72 H76 Dy0.12 N18 O26 Y1.88 -","- C144 H152 Dy0.24 N36 O52 Y3.76 -","2","0.5","","Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong","Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition","Chem.Commun.","2015","51","","15358","","10.1039/C5cc07073B","","","0.71073","MoKα","","0.0882","0.0593","","","0.1021","0.1106","","","","","","1.102","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117940","23.95","0.0013","7.9241","0.0004","21.1235","0.0011","90","","90","","90","","4008.9","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H36 F24 N4 P4 -","- C30 H36 F24 N4 P4 -","- C120 H144 F96 N16 P16 -","4","0.25","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.0938","0.0606","","","0.1694","0.1906","","","","","","1.046","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117941","24.2281","0.0011","16.2943","0.0007","25.5184","0.0011","90","","90","","90","","10074.2","0.8","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C37 H53 F18 N7 O6 P3 -","- C37 H53 F18 N7 O6 P3 -","- C296 H424 F144 N56 O48 P24 -","8","","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1604","0.1078","","","0.3235","0.3587","","","","","","1.19","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117942","13.5413","0.0008","14.3275","0.0009","22.1621","0.0014","90","","90","","90","","4299.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 F12 N6 P2 -","- C38 H50 F12 N6 P2 -","- C152 H200 F48 N24 P8 -","4","1","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1623","0.0931","","","0.2329","0.2662","","","","","","1.006","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117943","11.8988","0.0004","21.8945","0.0007","25.6947","0.0008","90","","90","","90","","6693.9","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C58 H72 F30 N8 P5 -","- C58 H72 F30 N8 P5 -","- C232 H288 F120 N32 P20 -","4","0.25","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.0769","0.0578","","","0.1522","0.1685","","","","","","1.067","","","","has coordinates,has disorder","169187","2020-10-21","18:00:00",""
"7117944","10.0815","0.0007","13.6749","0.001","23.3545","0.0014","90","","115.451","0.003","90","","2907.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 F24 N6 P4 S4 -","- C44 H54 F24 N6 P4 S4 -","- C88 H108 F48 N12 P8 S8 -","2","0.5","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1099","0.0861","","","0.266","0.2952","","","","","","1.022","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117945","15.7788","0.0005","17.1208","0.0007","28.0061","0.0009","90","","90","","90","","7565.7","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F12 N5 O0.5 P2 -","- C34 H44 F12 N5 O0.5 P2 -","- C272 H352 F96 N40 O4 P16 -","8","2","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1382","0.0884","","","0.2103","0.2402","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7117946","14.767","0.005","15.632","0.005","18.005","0.005","90","","90","","90","","4156","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 F12 N5 P2 -","- C39 H47 F12 N5 P2 -","- C156 H188 F48 N20 P8 -","4","1","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1045","0.0604","","","0.1429","0.1658","","","","","","1.018","","","","has coordinates,has disorder","169187","2020-10-21","18:00:00",""
"7117947","10.8543","0.0002","13.163","0.0002","17.7406","0.0003","90","","90","","90","","2534.69","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br N3 O3 -","- C30 H24 Br N3 O3 -","- C120 H96 Br4 N12 O12 -","4","1","","Guodong Zhu; Baomin Wang; Xiaoze Bao; Huanrui Zhang; Qian Wei; Jingping Qu","Catalytic asymmetric construction of spiro[pyrrolidine-2,3'-oxindole] scaffolds through chiral phosphoric acid-catalyzed 1,3-dipolar cycloaddition involving 3-amino oxindoles","Chem.Commun.","2015","51","","15510","","10.1039/C5cc05798A","","","0.71073","MoKα","","0.0423","0.0312","","","0.0736","0.0766","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117948","7.29731","0.00006","7.94804","0.00007","13.8224","0.00012","90","","90","","90","","801.69","0.012","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Hydrazinium zinc formate","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Gregor Kieslich; Shohei Kumagai; Keith T. Butler; Takuro Okamura; Christopher H. Hendon; Shijing Sun; Masahiro Yamashita; Aron Walsh; Anthony K. Cheetham","Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks","Chem.Commun.","2015","51","","15538","","10.1039/C5cc06190C","","x-ray","0.71073","MoKα","","0.0151","0.0144","","","0.0373","0.0375","","","","","","1.052","","","","has coordinates","169189","2020-10-21","18:00:00",""
"7117949","15.0493","0.0005","6.6839","0.0002","24.3241","0.001","90","","100.495","0.004","90","","2405.78","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Giovanna Parisi; Emanuela Capitanelli; Antonella Pierro; Giuseppe Romanazzi; Guy J. Clarkson; Leonardo Degennaro; Renzo Luisi","Easy access to constrained peptidomimetics and 2,2-disubstituted azetidines by the unexpected reactivity profile of alpha-lithiated N-Boc-azetidines","Chem.Commun.","2015","51","","15588","","10.1039/C5cc06323J","","x-ray","1.54184","CuKα","","0.0841","0.0503","","","0.1049","0.1218","","","","","","1.015","","","","has coordinates","169190","2020-10-21","18:00:00",""
"7117950","10.0556","0.0002","23.0371","0.0005","10.8204","0.0003","90","","106.221","0.003","90","","2406.78","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Giovanna Parisi; Emanuela Capitanelli; Antonella Pierro; Giuseppe Romanazzi; Guy J. Clarkson; Leonardo Degennaro; Renzo Luisi","Easy access to constrained peptidomimetics and 2,2-disubstituted azetidines by the unexpected reactivity profile of alpha-lithiated N-Boc-azetidines","Chem.Commun.","2015","51","","15588","","10.1039/C5cc06323J","","x-ray","1.54184","CuKα","","0.0515","0.0406","","","0.1049","0.1136","","","","","","1.037","","","","has coordinates","169190","2020-10-21","18:00:00",""
"7117951","7.0964","0.0005","16.23","0.002","19.1256","0.0015","90","","90","","90","","2202.8","0.4","298","2","298","2","","","","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","Sulfonamide benzoic acid; caprolactam","Sulfonamide benzoic acid; caprolactam","","- C19 H29 N3 O6 S -","- C19 H29 N3 O6 S -","- C76 H116 N12 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.2338","0.0872","","","0.1553","0.2387","","","","","","0.932","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117952","14.99","0.004","11.3156","0.0003","7.9","0.02","90","","95.96","0.11","90","","1333","3","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; 2pyridone form I","Sulfonamide benzoic acid; 2pyridone f","","- C12 H12 N2 O5 S -","- C12 H12 N2 O5 S -","- C48 H48 N8 O20 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0628","0.0597","","","0.1837","0.188","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7117953","5.309","0.0003","10.5807","0.0008","12.1499","0.001","76.377","0.007","89.187","0.006","77.195","0.006","646.28","0.08","298","2","298","2","","","","","","","synthetic","5","P -1","-P 1","2","Sulfonamide benzoic acid; 2pyridone form II","Sulfonamide benzoic acid; 2pyridone form II","","- C12 H12 N2 O5 S -","- C12 H12 N2 O5 S -","- C24 H24 N4 O10 S2 -","2","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0524","0.0493","","","0.1356","0.141","","","","","","1.029","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117954","8.464","0.003","9.721","0.003","16.137","0.005","90","","100.001","0.005","90","","1307.6","0.7","298","2","298","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","Sulfonamide benzoic acid; 2pyridone form III","Sulfonamide benzoic acid; 2pyridone form III","","- C12 H12 N2 O5 S -","- C12 H12 N2 O5 S -","- C48 H48 N8 O20 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0591","0.0502","","","0.1332","0.1438","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117955","31.237","0.004","5.1056","0.0006","20.362","0.002","90","","124.55","0.002","90","","2674.7","0.5","298","2","298","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","Sulfonamide benzoic acid; isonicotinamide","Sulfonamide benzoic acid; isonicotina","","- C13 H13 N3 O5 S -","- C13 H13 N3 O5 S -","- C104 H104 N24 O40 S8 -","8","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0569","0.0438","","","0.1136","0.1198","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117956","20.414","0.0014","6.5885","0.0004","14.747","0.0009","90","","101.671","0.006","90","","1942.4","0.2","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; isonicotinamide; 2pyridone","Sulfonamide benzoic acid; isonicotinamide; 2pyridone","","- C18 H18 N4 O6 S -","- C18 H18 N4 O6 S -","- C72 H72 N16 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0737","0.0596","","","0.1833","0.2053","","","","","","1.112","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117957","7.3848","0.0008","31.15","0.003","8.9746","0.0009","90","","90.676","0.002","90","","2064.3","0.4","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; 6methyl 2pyridone","Sulfonamide benzoic acid; 6methyl 2pyridone","","- C19 H21 N3 O6 S -","- C19 H21 N3 O6 S -","- C76 H84 N12 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0529","0.0442","","","0.117","0.1236","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117958","5.0179","0.0005","11.3168","0.0017","18.156","0.002","95.966","0.012","90.05","0.009","95.469","0.01","1020.7","0.2","298","2","298","2","","","","","","","synthetic","5","P -1","-P 1","2","Sulfonamide benzoic acid; nicotinamide","Sulfonamide benzoic acid; nicotinamide","","- C19 H18 N5 O6 S -","- C19 H18 N5 O6 S -","- C38 H36 N10 O12 S2 -","2","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0995","0.0577","","","0.1214","0.1482","","","","","","1.036","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117959","19.7594","0.0007","5.25798","0.0001","20.2747","0.0007","90","","117.924","0.004","90","","1861.18","0.12","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; nicotinamide; 2pyridone","Sulfonamide benzoic acid; nicotinamide; 2pyridone","","- C18 H18 N4 O6 S -","- C18 H18 N4 O6 S -","- C72 H72 N16 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.045","0.0406","","","0.1154","0.1202","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117960","8.2357","0.0008","26.102","0.003","9.2781","0.0009","90","","98.283","0.002","90","","1973.7","0.4","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; nicotinamide; 6methyl 2pyridone","Sulfonamide benzoic acid; nicotinamide; 6methyl 2pyridone","","- C19 H20 N4 O6 S -","- C19 H20 N4 O6 S -","- C76 H80 N16 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0609","0.0555","","","0.1258","0.1287","","","","","","1.204","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117961","13.2514","0.0003","7.0517","0.00019","38.1412","0.0009","90","","91.962","0.002","90","","3562.01","0.15","298","2","298","2","","","","","","","synthetic","5","C 1 c 1","C -2yc","9","Sulfonamide benzoic acid; nicotinamide; 3methoxy 2pyridone","Sulfonamide benzoic acid; nicotinamide; 3methoxy 2pyridone","","- C32 H34 N6 O13 S2 -","- C32 H34 N6 O13 S2 -","- C128 H136 N24 O52 S8 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0324","0.032","","","0.0851","0.0857","","","","","","1.081","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117962","6.95437","0.00016","12.7192","0.0003","23.9115","0.0005","90","","92.737","0.002","90","","2112.66","0.08","298","2","293","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","Sulfonamide benzoic acid; 3methoxy 2pyridone","Sulfonamide benzoic acid; 3methoxy 2pyridone","","- C19 H21 N3 O8 S -","- C19 H21 N3 O8 S -","- C76 H84 N12 O32 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.044","0.041","","","0.1119","0.1148","","","","","","1.07","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117963","10.2113","0.001","8.085","0.0006","17.663","0.002","90","","92.033","0.009","90","","1457.3","0.2","298","2","298","2","","","","","","","synthetic","5","P 1 21/n 1","-P 2yn","14","Sulfonamide benzoic acid; picolinamide","Sulfonamide benzoic acid; picolinamide","","- C13 H13 N3 O5 S -","- C13 H13 N3 O5 S -","- C52 H52 N12 O20 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","0.71073","MoKα","","0.0957","0.053","","","0.1013","0.119","","","","","","1.005","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117964","11.5333","0.0003","7.91065","0.00017","22.4905","0.0007","90","","100.021","0.003","90","","2020.64","0.09","298","2","298","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide benzoic acid; picolinamide; 6methyl 2pyridone","Sulfonamide benzoic acid; picolinamide; 6methyl 2pyridone","","- C19 H20 N4 O6 S -","- C19 H20 N4 O6 S -","- C76 H80 N16 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.041","0.0378","","","0.1013","0.1037","","","","","","1.056","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117965","8.2121","0.0005","9.3439","0.0006","10.6539","0.0008","112.237","0.007","106.403","0.006","95.743","0.005","705.92","0.1","298","2","298","2","","","","","","","synthetic","5","P -1","-P 1","2","Sulfonamide benzoic acid; valerolactam","Sulfonamide benzoic acid; valerolactam","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C24 H32 N4 O10 S2 -","2","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.0571","0.0553","","","0.1518","0.1543","","","","","","1.059","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117966","11.6914","0.0004","13.3995","0.0003","13.6649","0.0005","105.227","0.003","99.554","0.003","102.607","0.002","1958.27","0.12","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C83.7 H97.7 Cl0.6 N11.7 O12 -","- C83.7 H97.7 Cl0.6 N11.7 O12 -","- C83.7 H97.7 Cl0.6 N11.7 O12 -","1","0.5","","Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang","Bis-urea macrocycles with a deep cavity","Chem.Commun.","2015","51","","15490","","10.1039/C5cc06768E","","x-ray","1.54184","CuKα","","0.0741","0.0679","","","0.1987","0.2084","","","","","","1.036","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117967","23.8532","0.0002","16.58652","0.00016","19.13712","0.00018","90","","90","","90","","7571.44","0.12","123","0.1","123","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79 H93 Cl2 N9 O12 -","- C78.54 H93 Cl2 N8.77 O12 -","- C314.16 H372 Cl8 N35.08 O48 -","4","0.5","","Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang","Bis-urea macrocycles with a deep cavity","Chem.Commun.","2015","51","","15490","","10.1039/C5cc06768E","","x-ray","1.54184","CuKα","","0.0763","0.0682","","","0.194","0.2042","","","","","","1.028","","","","has coordinates,has disorder","169192","2020-10-21","18:00:00",""
"7117968","11.992","0.004","12.642","0.005","13.39","0.004","78.03","0.03","69.89","0.03","65.52","0.03","1729.8","1.1","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H82 Cl6 N4 O12 -","- C74 H82 Cl6 N4 O12 -","- C74 H82 Cl6 N4 O12 -","1","0.5","","Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang","Bis-urea macrocycles with a deep cavity","Chem.Commun.","2015","51","","15490","","10.1039/C5cc06768E","","x-ray","0.71073","MoKα","","0.3169","0.111","","","0.2243","0.3446","","","","","","0.96","","","","has coordinates,has disorder","169192","2020-10-21","18:00:00",""
"7117969","12.4884","0.0007","17.1551","0.0009","17.3844","0.0008","90","","96.545","0.004","90","","3700.2","0.3","100","2","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C79.8 H95.6 Cl2.8 N4 O15.2 -","- C79.8 H95.6 Cl2.8 N4 O15.2 -","- C159.6 H191.2 Cl5.6 N8 O30.4 -","2","0.5","","Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang","Bis-urea macrocycles with a deep cavity","Chem.Commun.","2015","51","","15490","","10.1039/C5cc06768E","","x-ray","0.71073","MoKα","","0.1186","0.0763","","","0.1857","0.2193","","","","","","1.066","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117970","12.301","0.0016","6.124","0.0008","24.187","0.003","90","","94.165","0.007","90","","1817.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B O2 -","- C18 H27 B O2 -","- C72 H108 B4 O8 -","4","1","","Hye Ryung Kim; Jaesook Yun","Correction: Highly regio- and stereoselective synthesis of alkenylboronic esters by copper-catalyzed boron additions to disubstituted alkynes","Chem.Commun.","2015","51","","15600","","10.1039/C5cc90440D","","","0.71073","MoKα","","0.0853","0.0578","","","0.1679","0.1908","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117972","18.938","0.006","5.258","0.0017","20.517","0.007","90","","108.76","0.005","90","","1934.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hydrazone 5","","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Aleksandr Grisin; Samuel Oliver; Michael D. Ganton; John Bacsa; P. Andrew Evans","Diastereoselective construction of anti-4,5-disubstituted-1,3-dioxolanes via a bismuth-mediated two-component hemiacetal oxa-conjugate addition of gamma-hydroxy-alpha,beta-unsaturated ketones with paraformaldehyde","Chem.Commun.","2015","51","","15681","","10.1039/C5cc01949D","","","0.71073","MoKα","","0.0987","0.051","","","0.1117","0.1268","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117973","32.934","0.003","14.4798","0.0013","52.282","0.004","90","","103.448","0.002","90","","24249","4","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","6 in manuscript","","","- C60 H50 B Cl8 F4 N2 O2 P2 Rh -","- C60 H50 B Cl8 F4 N2 O2 P2 Rh -","- C960 H800 B16 Cl128 F64 N32 O32 P32 Rh16 -","16","4","","G. Storch; M. Siebert; F. Rominger; O. Trapp","5,5'-Diamino-BIPHEP ligands bearing small selector units for non-covalent binding of chiral analytes in solution","Chem.Commun.","2015","51","","15665","","10.1039/C5cc06306J","","","0.71073","MoKα","","0.2205","0.1959","","","0.3924","0.4066","","","","","","1.134","","","","has coordinates","169406","2020-10-21","18:00:00",""
"7117975","8.6061","0.0005","9.3656","0.0005","13.016","0.0008","90","","105.803","0.002","90","","1009.45","0.1","283","2","283","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Cd N10 -","- C3 H10 Cd N10 -","- C12 H40 Cd4 N40 -","4","1","","Zi-Yi Du; Yu-Zhi Sun; Shao-Li Chen; Bo Huang; Yu-Jun Su; Ting-Ting Xu; Wei-Xiong Zhang; Xiao-Ming Chen","Insight into the molecular dynamics of guest cations confined in deformable azido coordination frameworks","Chem.Commun.","2015","51","","15641","","10.1039/C5cc06863K","","","0.71073","MoKα","","0.0389","0.0324","","","0.0797","0.085","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117976","8.6276","0.0007","9.4066","0.001","13.0569","0.0012","90","","105.504","0.003","90","","1021.09","0.17","348","2","348","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 Cd N10 -","- C3 H Cd N10 -","- C12 H4 Cd4 N40 -","4","0.5","","Zi-Yi Du; Yu-Zhi Sun; Shao-Li Chen; Bo Huang; Yu-Jun Su; Ting-Ting Xu; Wei-Xiong Zhang; Xiao-Ming Chen","Insight into the molecular dynamics of guest cations confined in deformable azido coordination frameworks","Chem.Commun.","2015","51","","15641","","10.1039/C5cc06863K","","","0.71073","MoKα","","0.0396","0.0312","","","0.0898","0.115","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117977","8.877","0.0003","13.3291","0.0004","14.6644","0.0004","90","","98.596","0.003","90","","1715.64","0.09","172.9","","172.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","Tetrahydropalmatinium Boron(bis-mandelate)","","- C37 H38 B N O10 -","- C37 H38 B N O10 -","- C74 H76 B2 N2 O20 -","2","1","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.5418","CuKα","","0.0389","0.033","","","0.0741","0.0768","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117978","12.7917","0.0004","8.7742","0.0002","16.8769","0.0005","90","","103.527","0.003","90","","1841.67","0.09","173","0.14","173","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","1,2-Diaminopropanium Boron(bis-mandelate)","","- C36 H40 B2 N2 O13 -","- C36 H40 B2 N2 O13 -","- C72 H80 B4 N4 O26 -","2","1","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.5418","CuKα","","0.0435","0.0425","","","0.1106","0.1119","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117979","22.7598","0.0004","74.1769","0.001","13.0562","0.0003","90","","90","","90","","22042.1","0.7","143","2","143.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Tris-1,10-phenanthroline cobalt(III) Boron(bis-mandelate)","","- C84 H60 B3 Co N6 O18 -","- C84 H60 B3 Co N6 O18 -","- C1008 H720 B36 Co12 N72 O216 -","12","3","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","","0.71073","MoKα","","0.0912","0.0733","","","0.1552","0.1643","","","","","","1.046","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117980","9.2739","0.00019","13.4321","0.0003","14.8221","0.0003","87.1166","0.0018","88.9874","0.0016","81.7319","0.0019","1824.75","0.07","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","Sodium Bora(bis-mandelate) ethanolate","","- C18 H18 B Na O7 -","- C18 H18 B Na O7 -","- C72 H72 B4 Na4 O28 -","4","4","","Lawrence W-Y. Wong; Jack W-H. Kan; Thanh-ha Nguyen; Herman H-Y. Sung; Dang Li; Alex S-F. Au-Yeung; Rajpal Sharma; Zhenyang Lin; Ian D. Williams","Bis(mandelato)borate: an effective, inexpensive spiroborate anion for chiral resolution","Chem.Commun.","2015","51","","15760","","10.1039/C5cc04977F","","x-ray","1.54184","CuKα","","0.0281","0.0262","","","0.0667","0.068","","","","","","1.006","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7117981","16.224","0.002","13.4035","0.0019","13.0086","0.0018","90","","98.365","0.003","90","","2798.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Au B2 N O5 -","- C30 H32 Au B2 N O5 -","- C120 H128 Au4 B8 N4 O20 -","4","1","","Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation","Chem.Commun.","2015","51","","15800","","10.1039/C5cc05200A","","","0.71073","MoKα","","0.0692","0.0447","","","0.0911","0.0993","","","","","","1.011","","","","has coordinates","169746","2020-10-21","18:00:00",""
"7117982","20.8526","0.0009","7.7561","0.0002","21.4691","0.0009","90","","118.283","0.0011","90","","3057.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H64 Au2 B4 Fe4 N2 O6 -","- C71 H64 Au2 B4 Fe4 N2 O6 -","- C142 H128 Au4 B8 Fe8 N4 O12 -","2","0.5","","Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation","Chem.Commun.","2015","51","","15800","","10.1039/C5cc05200A","","","0.71073","MoKα","","0.0511","0.0331","","","0.0672","0.0735","","","","","","1.021","","","","has coordinates,has disorder","169746","2020-10-21","18:00:00",""
"7117983","8.007","0.004","17.734","0.008","20.141","0.01","66.28","0.006","89.959","0.007","77.147","0.007","2540","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H25 Au B2 Cl N O3 -","- C28.5 H25 Au B2 Cl N O3 -","- C114 H100 Au4 B8 Cl4 N4 O12 -","4","2","","Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation","Chem.Commun.","2015","51","","15800","","10.1039/C5cc05200A","","","0.71073","MoKα","","0.1191","0.0607","","","0.1531","0.1796","","","","","","1.091","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7117984","8.6237","0.0004","11.2419","0.0005","14.8115","0.0007","73.806","0.002","85.564","0.002","72.674","0.002","1316.36","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H50 Au2 B4 Cl2 N2 O10 -","- C57 H50 Au2 B4 Cl2 N2 O10 -","- C57 H50 Au2 B4 Cl2 N2 O10 -","1","0.5","","Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation","Chem.Commun.","2015","51","","15800","","10.1039/C5cc05200A","","","1.54178","CuKα","","0.0244","0.0205","","","0.048","0.0503","","","","","","1.053","","","","has coordinates,has disorder","169746","2020-10-21","18:00:00",""
"7117985","10.877","0.003","19.073","0.005","13.93","0.004","90","","94.607","0.007","90","","2880.5","1.4","50","","50","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_50K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.1122","0.0866","","","0.2212","0.2407","","","","","","1.079","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117986","10.895","0.003","19.189","0.005","13.957","0.004","90","","94.674","0.007","90","","2908.2","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_100K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.1186","0.0878","","","0.2259","0.2485","","","","","","1.057","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117987","10.885","0.004","19.278","0.006","13.961","0.005","90","","94.81","0.007","90","","2919.3","1.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_150K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.1422","0.0911","","","0.2372","0.2719","","","","","","1.028","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117988","10.7705","0.0017","19.924","0.003","13.848","0.002","90","","96.499","0.007","90","","2952.6","0.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_200K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.1762","0.0902","","","0.2462","0.2933","","","","","","0.976","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117989","10.7047","0.0015","20.555","0.003","13.8324","0.0019","90","","98.106","0.007","90","","3013.2","0.7","250","","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_250K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.1949","0.0901","","","0.234","0.2863","","","","","","0.92","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117990","10.6962","0.0014","20.721","0.003","13.8764","0.0019","90","","98.222","0.007","90","","3043.9","0.7","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1_300K","","- C46 N6 Ni2 O2 S10 -","- C46 N6 Ni2 O2 S10 -","- C92 N12 Ni4 O4 S20 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.6996","","","0.207","0.0755","","","0.193","0.2428","","","","","","0.84","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117991","7.7723","0.0007","20.4416","0.0018","14.1183","0.0012","90","","96.37","0.001","90","","2229.2","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 N6 Ni S4 -","- C40 N6 Ni S4 -","- C80 N12 Ni2 S8 -","2","0.5","","Mikihiro Hayashi; Kazuya Otsubo; Tatsuhisa Kato; Kunihisa Sugimoto; Akihiko Fujiwara; Hiroshi Kitagawa","A compact planar low-energy-gap molecule with a donor-acceptor-donor nature based on a bimetal dithiolene complex","Chem.Commun.","2015","51","","15796","","10.1039/C5cc06149K","","","0.71075","MoKα","","0.0652","0.0634","","","0.1987","0.2007","","","","","","1.081","","","","has coordinates","169747","2020-10-21","18:00:00",""
"7117992","20.9821","0.0009","6.438","0.0003","15.242","0.0005","90","","111.466","0.003","90","","1916.11","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Zhen-Hua Wang; Zhi-Jun Wu; Xue-Qun Huang; Deng-Feng Yue; Yong You; Xiao-Ying Xu; Xiao-Mei Zhang; Wei-Cheng Yuan","Diastereo- and enantioselective direct vinylogous Michael addition of gamma-substituted butenolides to 2-enoylpyridines catalyzed by chiral bifunctional amine-squaramides","Chem.Commun.","2015","51","","15835","","10.1039/C5cc06383C","","","1.54184","CuKα","","0.0802","0.0788","","","0.2317","0.2342","","","","","","1.089","","","","has coordinates","169748","2020-10-21","18:00:00",""
"7117993","9.3979","0.0017","16.24","0.003","13.49","0.002","90","","100.87","0.002","90","","2021.9","0.6","128","2","128","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H46 N2 P2 Si2 Zn -","- C42 H46 N2 P2 Si2 Zn -","- C84 H92 N4 P4 Si4 Zn2 -","2","1","","Genette I. McGrew; Pathik A. Khatri; William E. Geiger; Richard A. Kemp; Rory Waterman","Unexpected formal insertion of CO2 into the C-Si bonds of a zinc compound","Chem.Commun.","2015","51","","15804","","10.1039/C5cc06910F","","","0.71073","MoKα","","0.0366","0.0291","","","0.0565","0.058","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117994","9.3607","0.0007","14.583","0.0011","15.9704","0.0013","63.857","0.001","81.986","0.001","78.518","0.001","1914.6","0.3","129","2","129","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 N2 O4 P2 Si2 Zn -","- C32 H54 N2 O4 P2 Si2 Zn -","- C64 H108 N4 O8 P4 Si4 Zn2 -","2","1","","Genette I. McGrew; Pathik A. Khatri; William E. Geiger; Richard A. Kemp; Rory Waterman","Unexpected formal insertion of CO2 into the C-Si bonds of a zinc compound","Chem.Commun.","2015","51","","15804","","10.1039/C5cc06910F","","","0.71073","MoKα","","0.0306","0.0251","","","0.0642","0.067","","","","","","1.026","","","","has coordinates","169749","2020-10-21","18:00:00",""
"7117995","20.082","0.003","9.3614","0.0008","14.777","0.0018","90","","126.854","0.008","90","","2222.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 B F2 I2 -","- C26 H15 B F2 I2 -","- C104 H60 B4 F8 I8 -","4","0.5","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.0735","0.0594","","","0.1488","0.1555","","","","","","1.005","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117996","12.6333","0.0009","14.6789","0.0007","12.1639","0.0008","90","","94.908","0.006","90","","2247.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 B Br4 -","- C26 H15 B Br4 -","- C104 H60 B4 Br16 -","4","1","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.0611","0.0457","","","0.0918","0.0971","","","","","","1.099","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117997","3.9791","0.0012","19.948","0.006","20.208","0.005","90","","90","","90","","1604","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 B -","- C26 H15 B -","- C104 H60 B4 -","4","1","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.1732","0.0677","","","0.1014","0.136","","","","","","0.844","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7117998","48.2907","0.0017","48.2907","0.0017","48.2907","0.0017","90","","90","","90","","112614","7","173","2","173","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C31 H20 B N -","- C31 H20 B N -","- C5952 H3840 B192 N192 -","192","2","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.114","0.0654","","","0.1133","0.1311","","","","","","0.941","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7118003","15.9333","0.0006","15.9333","0.0006","21.1312","0.0014","90","","90","","90","","5364.6","0.5","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C50 H44 B2 Cd F8 N12 O2 -","- C50 H44 B2 Cd F8 N12 O2 -","- C200 H176 B8 Cd4 F32 N48 O8 -","4","0.5","","Chao-Wei Zhao; Yan-An Li; Xue-Ru Wang; Gong-Jun Chen; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong","Fabrication of Cd(II)-MOF-based ternary photocatalytic composite materials for H2 production via a gel-to-crystal approach","Chem.Commun.","2015","51","","15906","","10.1039/C5cc06291H","","x-ray","1.54184","CuKα","","0.1158","0.0945","","","0.2324","0.2559","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118004","7.9415","0.0004","15.4054","0.0007","21.5716","0.0009","102.614","0.003","95.363","0.003","97.396","0.003","2533.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","13,17-diethyl-12,18-dimethyldibenzo[b,g]-21,22-dicarbaporphyrin","","- C36 H32 N2 -","- C36 H32 N2 -","- C144 H128 N8 -","4","2","","Timothy D. Lash; Deyaa I. AbuSalim; Gregory M. Ferrence","adj-Dicarbachlorin, the first free base carbaporphyrinoid system with an internal methylene unit","Chem.Commun.","2015","51","","15952","","10.1039/C5cc06890H","","x-ray","0.71073","MoKα","","0.1647","0.0727","","","","0.194","","","","","","1.01","","","","has coordinates","169758","2020-10-21","18:00:00",""
"7118005","9.6391","0.0004","11.5516","0.0004","19.4951","0.0007","80.562","0.002","85.708","0.003","85.426","0.002","2130.3","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","13,17-diethyl-12,18-dimethyl-21,22-dicarbachlorin","13,17-diethyl-12,18-dimethyl-2,3-dihydro-21,22-dicarbaporphyrin","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","2","","Timothy D. Lash; Deyaa I. AbuSalim; Gregory M. Ferrence","adj-Dicarbachlorin, the first free base carbaporphyrinoid system with an internal methylene unit","Chem.Commun.","2015","51","","15952","","10.1039/C5cc06890H","","x-ray","0.71073","MoKα","","0.0845","0.055","","","","0.1484","","","","","","1.027","","","","has coordinates,has disorder","169758","2020-10-21","18:00:00",""
"7118006","9.367","0.004","15.172","0.003","17.348","0.004","90","","96.96","0.02","90","","2447.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 B2 P2 -","- C24 H38 B2 P2 -","- C96 H152 B8 P8 -","4","1","","Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider","Synthesis of cyclic diborenes with unprecedented cis-configuration","Chem.Commun.","2015","51","","15917","","10.1039/C5cc07103H","","","0.71073","MoKα","","0.05","0.0395","","","0.1018","0.1089","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118007","14.4599","0.0013","16.0807","0.0015","16.867","0.0016","79.939","0.003","86.355","0.003","78.644","0.003","3784.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H47 B2 P2 -","- C46 H47 B2 P2 -","- C184 H188 B8 P8 -","4","2","","Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider","Synthesis of cyclic diborenes with unprecedented cis-configuration","Chem.Commun.","2015","51","","15917","","10.1039/C5cc07103H","","","0.71073","MoKα","","0.0536","0.0387","","","0.0959","0.1044","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118008","9.4899","0.0009","13.6443","0.0012","9.7286","0.0009","90","","99.393","0.003","90","","1242.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B2 P2 -","- C24 H40 B2 P2 -","- C48 H80 B4 P4 -","2","0.5","","Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider","Synthesis of cyclic diborenes with unprecedented cis-configuration","Chem.Commun.","2015","51","","15917","","10.1039/C5cc07103H","","","0.71073","MoKα","","0.0726","0.0577","","","0.1542","0.1665","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118009","22.5345","0.0003","17.93193","0.00019","26.6666","0.0004","90","","110.278","0.0015","90","","10107.8","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Al F6 N2 -","- C35 H41 Al F6 N2 -","- C420 H492 Al12 F72 N24 -","12","3","","Mark R. Crimmin; Michael J. Butler; Andrew J. P. White","Oxidative addition of carbon-fluorine and carbon-oxygen bonds to Al(I)","Chem.Commun.","2015","51","","15994","","10.1039/C5cc07140b","","","1.54184","CuKα","","0.0621","0.0419","","","0.1052","0.1156","","","","","","1.021","","","","has coordinates","169760","2020-10-21","18:00:00",""
"7118010","16.8019","0.0004","12.4929","0.0003","15.8089","0.0004","90","","90","","90","","3318.36","0.14","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H47 Al N2 O -","- C37 H47 Al N2 O -","- C148 H188 Al4 N8 O4 -","4","1","","Mark R. Crimmin; Michael J. Butler; Andrew J. P. White","Oxidative addition of carbon-fluorine and carbon-oxygen bonds to Al(I)","Chem.Commun.","2015","51","","15994","","10.1039/C5cc07140b","","","0.71073","MoKα","","0.0449","0.0365","","","0.0814","0.0865","","","","","","1.045","","","","has coordinates","169760","2020-10-21","18:00:00",""
"7118011","6.2811","0.001","7.9645","0.0012","11.2853","0.0018","71.701","0.001","89.752","0.002","81.716","0.002","529.91","0.14","90","","90","","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","1","1","","Keiji Mori; Ayaka Miyake; Takahiko Akiyama","Enantioselective synthesis of fused heterocycles with contiguous stereogenic centers by chiral phosphoric acid catalyzed symmetry breaking","Chem.Commun.","2015","51","","16107","","10.1039/C5cc05508C","","","0.71073","MoKα","","0.0195","0.0193","","","0.0469","0.047","","","","","","0.675","","","","has coordinates","169889","2020-10-21","18:00:00",""
"7118012","12.8975","0.001","12.5051","0.0009","28.706","0.003","90","","90.438","0.006","90","","4629.7","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Au P -","- C54 H64 Au P -","- C216 H256 Au4 P4 -","4","1","","Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz","Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers","Chem.Commun.","2015","51","","16053","","10.1039/C5cc05620A","","","1.54178","CuKα","","0.0742","0.047","","","0.1042","0.1096","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118013","47.793","0.003","13.1566","0.0009","17.5594","0.0012","90","","90","","90","","11041.2","1.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C118 H192 Au2 O P2 -","- C118 H192 Au2 O P2 -","- C472 H768 Au8 O4 P8 -","4","1","","Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz","Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers","Chem.Commun.","2015","51","","16053","","10.1039/C5cc05620A","","","1.54178","CuKα","","0.0327","0.0307","","","0.0658","0.0664","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118014","13.0821","0.0009","24.554","0.0017","17.7022","0.0013","90","","108.761","0.004","90","","5384.1","0.7","110.15","","110.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C114 H182 Au2 P2 -","- C114 H182 Au2 P2 -","- C228 H364 Au4 P4 -","2","0.5","","Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz","Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers","Chem.Commun.","2015","51","","16053","","10.1039/C5cc05620A","","","1.54178","CuKα","","0.0574","0.0435","","","0.1156","0.1228","","","","","","1.045","","","","has coordinates,has disorder","169890","2020-10-21","18:00:00",""
"7118015","17.3899","0.0003","10.3122","0.0002","26.5129","0.0005","90","","108.487","0.001","90","","4509.16","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 B N2 -","- C29 H25 B N2 -","- C232 H200 B8 N16 -","8","2","","Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil","Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons","Chem.Commun.","2015","51","","16115","","10.1039/C5cc06351e","","","0.71073","MoKα","","0.0965","0.0776","","","0.1548","0.164","","","","","","1.15","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118016","8.898","0.0004","7.0675","0.0003","30.362","0.0014","90","","98","0.003","90","","1890.78","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 B N -","- C27 H20 B N -","- C108 H80 B4 N4 -","4","1","","Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil","Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons","Chem.Commun.","2015","51","","16115","","10.1039/C5cc06351e","","","0.71073","MoKα","","0.0804","0.0576","","","0.1232","0.1344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118017","9.3145","0.0005","9.7778","0.0006","12.5665","0.0007","83.55","0.003","84.896","0.003","76.744","0.003","1104.59","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 B N2 -","- C29 H23 B N2 -","- C58 H46 B2 N4 -","2","1","","Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil","Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons","Chem.Commun.","2015","51","","16115","","10.1039/C5cc06351e","","","0.71073","MoKα","","0.0755","0.0586","","","0.133","0.1416","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118018","13.9351","0.0007","9.0239","0.0005","14.1194","0.0008","90","","92.128","0.003","90","","1774.28","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B N -","- C25 H20 B N -","- C100 H80 B4 N4 -","4","1","","Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil","Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons","Chem.Commun.","2015","51","","16115","","10.1039/C5cc06351e","","","0.71073","MoKα","","0.1655","0.1623","","","0.4284","0.4295","","","","","","1.212","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118019","7.9636","0.0002","8.8054","0.0002","14.8492","0.0005","106.476","0.002","90.57","0.002","116.512","0.002","882.12","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 B N2 -","- C21 H25 B N2 -","- C42 H50 B2 N4 -","2","1","","Aslam C. Shaikh; Dnyanesh S. Ranade; Shridhar Thorat; Arunava Maity; Prasad P. Kulkarni; Rajesh G. Gonnade; Parthapratim Munshi; Nitin T. Patil","Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons","Chem.Commun.","2015","51","","16115","","10.1039/C5cc06351e","","","0.71073","MoKα","","0.0481","0.0417","","","0.1004","0.1044","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118020","9.2218","0.0002","27.5508","0.0006","24.8963","0.0005","90","","92.701","0.002","90","","6318.3","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H128 Cl4 N12 O12 -","- C116 H122 Cl4 N12 O12 -","- C232 H244 Cl8 N24 O24 -","2","1","","Zhao, Xiaohu; Liu, Xiaohua; Xiong, Qian; Mei, Hongjiang; Ma, Baiwei; Lin, Lili; Feng, Xiaoming","The asymmetric synthesis of polycyclic 3-spirooxindole alkaloids via the cascade reaction of 2-isocyanoethylindoles","Chemical Communications (Cambridge, United Kingdom)","2015","51","89","16076","16079","10.1039/c5cc06353a","","","0.71073","MoKα","","0.068","0.0565","","","0.1615","0.1706","","","","","","1.057","","","","has coordinates,has disorder","210893","2020-10-21","18:00:00",""
"7118021","10.9292","0.0008","16.0839","0.0011","8.704","0.0008","90","","103.591","0.008","90","","1487.2","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(benzo[h]quinolin-10-yl)benzamide","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Huan-Wei Tseng; Ta-Chun Lin; Chi-Lin Chen; Tzu-Chieh Lin; Yi-An Chen; Jun-Qi Liu; Cheng-Hsien Hung; Chi-Min Chao; Kuan-Miao Liu; Pi-Tai Chou","A new class of N-H proton transfer molecules: wide tautomer emission tuning from 590 nm to 770 nm via a facile, single site amino derivatization in 10-aminobenzo[h]quinoline","Chem.Commun.","2015","51","","16099","","10.1039/C5cc06633F","","x-ray","0.71073","MoKα","","0.1655","0.0637","","","0.1013","0.1395","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118022","8.6023","0.0003","7.671","0.0002","12.76","0.0004","90","","107.862","0.001","90","","801.42","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[EMIm][HS], 1","1-Ethyl-2-methylimidazolium-hydrosulfide","","- C6 H12 N2 S -","- C6 H12 N2 S -","- C24 H48 N8 S4 -","4","1","","L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer","Access to pure and highly volatile hydrochalcogenide ionic liquids","Chem.Commun.","2015","51","","16169","","10.1039/C5cc06224A","","","0.71073","MoKα","","0.0373","0.0318","","","0.0833","0.0876","","","","","","1.066","","","","has coordinates","169963","2020-10-21","18:00:00",""
"7118023","15.6635","0.0006","15.6635","0.0006","8.9408","0.0005","90","","90","","90","","2193.58","0.17","100","2","100","2","","","","","","","Acetonitrile","4","P 42/m b c","-P 4c 2ab","135","[BMPyr][HS] (5)","N-butyl-N-methylpyrrolidinium hydrosulfide","","- C9 H21 N S -","- C9 H21 N S -","- C72 H168 N8 S8 -","8","0.5","","L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer","Access to pure and highly volatile hydrochalcogenide ionic liquids","Chem.Commun.","2015","51","","16169","","10.1039/C5cc06224A","","","0.71073","MoKα","","0.0785","0.0601","","","0.1535","0.168","","","","","","1.056","","","","has coordinates","169963","2020-10-21","18:00:00",""
"7118024","9.8949","0.0007","17.1226","0.0012","13.9266","0.001","90","","105.661","0.003","90","","2271.9","0.3","566","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Fe N O3 P2 -","- C18 H39 Fe N O3 P2 -","- C72 H156 Fe4 N4 O12 P8 -","4","1","","Liam S. Sharninghausen; Brandon Q. Mercado; Robert H. Crabtree; Nilay Hazari","Selective conversion of glycerol to lactic acid with iron pincer precatalysts","Chem.Commun.","2015","51","","16201","","10.1039/C5cc06857F","","","1.54178","CuKα","","0.0907","0.0596","","","0.135","0.1548","","","","","","1.023","","","","has coordinates","169964","2020-10-21","18:00:00",""
"7118025","8.7074","0.0004","12.6241","0.0006","18.0261","0.0008","90","","90","","90","","1981.48","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O2 S2 -","- C21 H16 Cl N O2 S2 -","- C84 H64 Cl4 N4 O8 S8 -","4","1","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.0631","0.0423","","","0.0848","0.0939","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118026","6.8482","0.0004","7.9264","0.0004","8.7986","0.0005","92.069","0.002","99.774","0.002","96.704","0.002","466.69","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H14 Cl2 O S2 -","- C21 H14 Cl2 O S2 -","- C21 H14 Cl2 O S2 -","1","1","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.0319","0.0306","","","0.0758","0.0769","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118027","13.1691","0.0014","38.663","0.004","7.1029","0.0008","90","","90","","90","","3616.5","0.7","293","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H15 F3 O3 S2 -","- C18 H15 F3 O3 S2 -","- C144 H120 F24 O24 S16 -","8","2","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.113","0.0672","","","0.1789","0.202","","","","","","1.143","","","","has coordinates","169965","2020-10-21","18:00:00",""
"7118028","23.3993","0.0014","10.7452","0.0005","21.7187","0.0017","90","","114.212","0.008","90","","4980.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Bi2 N8 P4 -","- C40 H72 Bi2 N8 P4 -","- C160 H288 Bi8 N32 P16 -","4","1","","Minggang Zhao; Lixia Wang; Pangpang Li; Xiang Zhang; Ying Yang; Wenjun Zheng","Paddlewheel 1,2,4-diazaphospholide dibismuthanes with very short bismuth-bismuth single bonds","Chem.Commun.","2015","51","","16184","","10.1039/C5cc07064C","","","0.71073","MoKα","","0.0956","0.0561","","","0.0898","0.1042","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118029","10.5121","0.0002","13.7719","0.0003","15.2443","0.0003","90.269","0.002","101.428","0.002","93.926","0.002","2157.74","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Bi2 N8 P4 -","- C32 H56 Bi2 N8 P4 -","- C64 H112 Bi4 N16 P8 -","2","1","","Minggang Zhao; Lixia Wang; Pangpang Li; Xiang Zhang; Ying Yang; Wenjun Zheng","Paddlewheel 1,2,4-diazaphospholide dibismuthanes with very short bismuth-bismuth single bonds","Chem.Commun.","2015","51","","16184","","10.1039/C5cc07064C","","x-ray","0.71073","MoKα","","0.0603","0.0345","","","0.0671","0.0765","","","","","","1.035","","","","has coordinates","169966","2020-10-21","18:00:00",""
"7118030","9.4968","0.0002","20.3504","0.0004","13.5884","0.0002","90","","97.027","0.002","90","","2606.42","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Bi N4 P2 -","- C28 H20 Bi N4 P2 -","- C112 H80 Bi4 N16 P8 -","4","1","","Minggang Zhao; Lixia Wang; Pangpang Li; Xiang Zhang; Ying Yang; Wenjun Zheng","Paddlewheel 1,2,4-diazaphospholide dibismuthanes with very short bismuth-bismuth single bonds","Chem.Commun.","2015","51","","16184","","10.1039/C5cc07064C","","x-ray","0.71073","MoKα","","0.0574","0.0296","","","0.0415","0.0463","","","","","","1.02","","","","has coordinates","169966","2020-10-21","18:00:00",""
"7118031","6.1328","0.0002","16.7206","0.0004","22.9284","0.0006","90","","90","","90","","2351.17","0.11","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fmoc-tpd-Ala-NH2","10","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Chang Won Kang; Matthew P. Sarnowski; Sujeewa Ranatunga; Lukasz Wojtas; Rainer S. Metcalf; Wayne C. Guida; Juan R. Del Valle","Beta-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching","Chem.Commun.","2015","51","","16259","","10.1039/C5cc07189E","","","1.54178","CuKα","","0.0449","0.0395","","","0.0932","0.0963","","","","","","1.051","","","","has coordinates,has disorder","169967","2020-10-21","18:00:00",""
"7118032","11.0349","0.0003","14.8582","0.0003","17.2323","0.0004","90","","90","","90","","2825.39","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11","","- C32 H34 N4 O5 -","- C32 H34 N4 O5 -","- C128 H136 N16 O20 -","4","1","","Chang Won Kang; Matthew P. Sarnowski; Sujeewa Ranatunga; Lukasz Wojtas; Rainer S. Metcalf; Wayne C. Guida; Juan R. Del Valle","Beta-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching","Chem.Commun.","2015","51","","16259","","10.1039/C5cc07189E","","","1.54178","CuKα","","0.0312","0.0294","","","0.0697","0.0707","","","","","","1.085","","","","has coordinates","169967","2020-10-21","18:00:00",""
"7118033","13.8619","0.0003","10.1495","0.0002","17.3464","0.0004","90","","104.941","0.0013","90","","2357.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23.8 F3 N5 O3.4 -","- C25 H23.8 F3 N5 O3.4 -","- C100 H95.2 F12 N20 O13.6 -","4","1","","Bernard-Gauthier, Vadim; Bailey, Justin J.; Aliaga, Arturo; Kostikov, Alexey; Rosa-Neto, Pedro; Wuest, Melinda; Brodeur, Garrett M.; Bedell, Barry J.; Wuest, Frank; Schirrmacher, Ralf","Development of subnanomolar radiofluorinated (2-pyrrolidin-1-yl)imidazo[1,2-b]pyridazine pan-Trk inhibitors as candidate PET imaging probes","Med. Chem. Commun.","2015","6","12","2184","","10.1039/C5MD00388A","","","1.54178","CuKα","","0.0987","0.0726","","","0.2051","0.2321","","","","","","1.054","","","","has coordinates,has disorder","171289","2020-10-21","18:00:00",""
"7118034","16.3046","0.0009","16.3046","0.0009","6.6306","0.0007","90","","90","","90","","1762.7","0.2","296","2","296","2","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C14.5 H29.5 N6.5 Nd O5 S8 -","- C12 H16 N4 Nd S8 -","- C24 H32 N8 Nd2 S16 -","2","","","Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng","Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.","Chemical communications (Cambridge, England)","2015","51","87","15819","15822","10.1039/c5cc05371d","","","0.71073","MoKα","","0.0704","0.0382","","","0.075","0.0864","","","","","","0.941","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118035","16.2525","0.0009","16.2525","0.0009","6.5933","0.0008","90","","90","","90","","1741.6","0.3","120","2","120","2","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C14.5 H29.5 N6.5 Nd O5 S8 -","- C12 H16 N4 Nd S8 -","- C24 H32 N8 Nd2 S16 -","2","","","Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng","Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.","Chemical communications (Cambridge, England)","2015","51","87","15819","15822","10.1039/c5cc05371d","","","0.71073","MoKα","","0.0298","0.0244","","","0.057","0.0596","","","","","","1.005","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118036","13.459","0.004","10.509","0.003","20.134","0.006","90","","105.46","0.005","90","","2744.7","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(chloro(phenyl)methyl)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)malonate","","- C28 H37 Cl O5 -","- C28 H37 Cl O5 -","- C112 H148 Cl4 O20 -","4","1","","Gai, Kuo; Fang, Xinxin; Li, Xuanyi; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan","Synthesis of spiro[2.5]octa-4,7-dien-6-one with consecutive quaternary centers via 1,6-conjugate addition induced dearomatization of para-quinone methides.","Chemical communications (Cambridge, England)","2015","51","87","15831","15834","10.1039/c5cc06287j","","","0.71073","MoKα","","0.0751","0.0499","","","0.1324","0.1476","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118037","9.284","0.008","9.32","0.008","11.404","0.009","77.278","0.01","70.928","0.009","88.102","0.009","908.9","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C50 H36 O4 -","2","1","","Pan, Xiaolin; Luo, Yong; Xia, Hong-Guang; Wu, Jie","A palladium-catalyzed tandem reaction of 2-(2-bromobenzylidene)cyclobutanone with 2-alkynylphenol.","Chemical communications (Cambridge, England)","2015","51","92","16483","16485","10.1039/c5cc07360j","","","0.71073","MoKα","","0.066","0.0441","","","0.1293","0.1499","","","","","","1.039","","","","has coordinates","170144","2020-10-21","18:00:00",""
"7118038","6.0538","0.0015","22.484","0.003","14.589","0.003","90","","101.902","0.01","90","","1943.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B Mn N2 O3 -","- C19 H24 B Mn N2 O3 -","- C76 H96 B4 Mn4 N8 O12 -","4","1","","Braunschweig, Holger; Jimenez-Halla, J Oscar C; Radacki, Krzysztof; Shang, Rong","A metal-mediated boron-centred isomerisation reaction via C-H activation.","Chemical communications (Cambridge, England)","2015","51","92","16569","16572","10.1039/c5cc07681a","","","0.71073","MoKα","","0.0349","0.0292","","","0.072","0.0752","","","","","","1.071","","","","has coordinates","170145","2020-10-21","18:00:00",""
"7118039","11.427","0.007","6.76","0.004","14.006","0.009","90","","90","","90","","1081.9","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 F12 N16 O4 -","- C40 H28 F12 N16 O4 -","- C40 H28 F12 N16 O4 -","1","0.125","","Chen, Zhen; Fan, Shuang-Qing; Zheng, Yan; Ma, Jun-An","Silver-catalyzed regioselective [3+2] cycloaddition of arene-diazonium salts with 2,2,2-trifluorodiazoethane (CF3CHN2): a facile access to 2-aryl-5-trifluoromethyltetrazoles.","Chemical communications (Cambridge, England)","2015","51","92","16545","16548","10.1039/c5cc07324c","","","0.71073","MoKα","","0.0681","0.0617","","","0.1759","0.183","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118040","9.5762","0.0008","7.0422","0.0006","14.1082","0.0011","90","","90","","90","","951.42","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 F3 N4 O -","- C8 H5 F3 N4 O -","- C32 H20 F12 N16 O4 -","4","0.5","","Chen, Zhen; Fan, Shuang-Qing; Zheng, Yan; Ma, Jun-An","Silver-catalyzed regioselective [3+2] cycloaddition of arene-diazonium salts with 2,2,2-trifluorodiazoethane (CF3CHN2): a facile access to 2-aryl-5-trifluoromethyltetrazoles.","Chemical communications (Cambridge, England)","2015","51","92","16545","16548","10.1039/c5cc07324c","","","0.71073","MoKα","","0.0839","0.0745","","","0.2266","0.2392","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118041","10.546","0.0004","12.3897","0.0005","14.0003","0.0006","78.264","0.002","70.648","0.002","75.644","0.002","1657.28","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H42 N7 P4 Se4 -","- C21 H42 N7 P4 Se4 -","- C42 H84 N14 P8 Se8 -","2","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe","Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.","Chemical communications (Cambridge, England)","2015","51","92","16468","16471","10.1039/c5cc06034f","","","0.71073","MoKα","","0.0727","0.0427","","","0.1152","0.1477","","","","","","1.064","","","","has coordinates","170147","2020-10-21","18:00:00",""
"7118042","28.4547","0.0019","16.8252","0.0011","9.7507","0.0007","90","","94.991","0.003","90","","4650.5","0.5","103","2","103","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C24 H54 N6 P4 -","- C24 H54 N6 P4 -","- C144 H324 N36 P24 -","6","0.75","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe","Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.","Chemical communications (Cambridge, England)","2015","51","92","16468","16471","10.1039/c5cc06034f","","","0.71073","MoKα","","0.1354","0.0895","","","0.2587","0.3082","","","","","","1.099","","","","has coordinates,has disorder","170147","2020-10-21","18:00:00",""
"7118043","8.9073","0.0011","15.7025","0.0018","9.9032","0.0011","90","","113.061","0.004","90","","1274.4","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 N6 P4 -","- C18 H42 N6 P4 -","- C36 H84 N12 P8 -","2","0.5","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe","Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.","Chemical communications (Cambridge, England)","2015","51","92","16468","16471","10.1039/c5cc06034f","","","0.71073","MoKα","","0.1459","0.0691","","","0.1467","0.1835","","","","","","1.019","","","","has coordinates,has disorder","170147","2020-10-21","18:00:00",""
"7118044","13.8909","0.0011","15.9194","0.0013","13.2049","0.0011","90","","90.007","0.003","90","","2920.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 N6 P4 Se4 -","- C14.94 H34.86 N6 P4 Se4 -","- C59.76 H139.44 N24 P16 Se16 -","4","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe","Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.","Chemical communications (Cambridge, England)","2015","51","92","16468","16471","10.1039/c5cc06034f","","","0.71073","MoKα","","0.1665","0.0769","","","0.2078","0.2539","","","","","","1.045","","","","has coordinates,has disorder","170147","2020-10-21","18:00:00",""
"7118045","11.5577","0.0005","18.1837","0.0008","18.2006","0.0008","97.507","0.002","92.728","0.002","92.84","0.002","3782","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 B Cl Co N S3 -","- C39 H53 B Cl Co N S3 -","- C156 H212 B4 Cl4 Co4 N4 S12 -","4","2","","Shao, Feng; Cahier, Benjamin; Guihéry, Nathalie; Rivière, Eric; Guillot, Régis; Barra, Anne-Laure; Lan, Yanhua; Wernsdorfer, Wolfgang; Campbell, Victoria E.; Mallah, Talal","Tuning the Ising-type anisotropy in trigonal bipyramidal Co(ii) complexes.","Chemical communications (Cambridge, England)","2015","51","92","16475","16478","10.1039/c5cc07741a","","x-ray","0.71073","MoKα","","0.0846","0.043","","","0.0772","0.0892","","","","","","1.009","","","","has coordinates","170148","2020-10-21","18:00:00",""
"7118046","15.831","0.003","16.614","0.003","21.526","0.004","90","","109.97","0.002","90","","5321.3","1.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 F24 N13 P4 Ru2 -","- C38 H37 F24 N13 P4 Ru2 -","- C152 H148 F96 N52 P16 Ru8 -","4","1","","Albani, B. A.; Peña, B; Saha, S.; White, J. K.; Schaeffer, A. M.; Dunbar, K. R.; Turro, C.","A dinuclear Ru(ii) complex capable of photoinduced ligand exchange at both metal centers.","Chemical communications (Cambridge, England)","2015","51","92","16522","16525","10.1039/c5cc04913j","","","0.71073","MoKα","","0.0712","0.0526","","","0.1263","0.1385","","","","","","1.024","","","","has coordinates,has disorder","170149","2020-10-21","18:00:00",""
"7118047","9.3536","0.0002","17.701","0.0004","9.8752","0.0002","90","","111.505","0.0012","90","","1521.2","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Vincent-Rocan, Jean-François; Derasp, Joshua S.; Beauchemin, André M","Diversity-oriented heterocyclic synthesis using divergent reactivity of N-substituted iso(thio)cyanates.","Chemical communications (Cambridge, England)","2015","51","91","16405","16408","10.1039/c5cc07212c","","","0.71073","MoKα","","0.0497","0.0396","","","0.1047","0.1127","","","","","","1.033","","","","has coordinates,has disorder","170150","2020-10-21","18:00:00",""
"7118048","26.9207","0.0009","26.9207","0.0009","20.9044","0.0014","90","","90","","120","","13120.2","1.1","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0612","0.0455","","","0.1133","0.1229","","","","","","0.955","","","","has coordinates","210891","2020-10-21","18:00:00",""
"7118049","26.8706","0.0005","26.8706","0.0005","20.9","0.0008","90","","90","","120","","13068.7","0.6","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C69 H66 Cd4 N12 O29 -","- C69 H66 Cd4 N12 O29 -","- C414 H396 Cd24 N72 O174 -","6","0.333333","","Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian","Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices","Chemical Communications (Cambridge, United Kingdom)","2015","51","91","16331","16333","10.1039/c5cc06501a","","","0.71073","MoKα","","0.0785","0.0545","","","0.1206","0.1319","","","","","","1.004","","","","has coordinates","210891","2020-10-21","18:00:00",""
"7118050","14.1742","0.0013","11.9882","0.0011","11.3206","0.001","90","","90.796","0.003","90","","1923.4","0.3","93","0.2","93","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C84 H80 F12 N4 O20 -","4","1","","Yamamoto, Y.; Kurohara, T.; Shibuya, M.","CF3-Substituted semisquarate: a pluripotent building block for the divergent synthesis of trifluoromethylated functional molecules.","Chemical communications (Cambridge, England)","2015","51","91","16357","16360","10.1039/c5cc06920c","","","0.71073","MoKα","","0.0497","0.0472","","","0.125","0.1279","","","","","","0.969","","","","has coordinates","170152","2020-10-21","18:00:00",""
"7118051","11.966","0.003","12.944","0.004","21.641","0.006","90","","90.39","0.005","90","","3351.9","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 N2 O12 -","- C76 H92 N2 O12 -","- C152 H184 N4 O24 -","2","0.5","","Yuan, Mao-Sen; Chen, Huanqing; Du, Xianchao; Li, Jian; Wang, Jinyi; Jia, Xueshun; Li, Chunju","Host-guest complexation of pillar[6]arenes towards neutral nitrile guests.","Chemical communications (Cambridge, England)","2015","51","91","16361","16364","10.1039/c5cc06801k","","","0.71073","MoKα","","0.1072","0.0632","","","0.1735","0.2138","","","","","","1.025","","","","has coordinates","170153","2020-10-21","18:00:00",""
"7118053","6.7321","0.0003","9.372","0.0004","11.4758","0.0005","95.498","0.003","99.49","0.003","104.725","0.003","683.45","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C34 H40 O4 -","2","1","","Banerjee, Arghya; Santra, Sourav Kumar; Khatun, Nilufa; Ali, Wajid; Patel, Bhisma K.","Oxidant controlled regioselective mono- and di-functionalization reactions of coumarins.","Chemical communications (Cambridge, England)","2015","51","84","15422","15425","10.1039/c5cc06200d","","","0.71073","MoKα","","0.048","0.0389","","","0.0985","0.1132","","","","","","1.079","","","","has coordinates","170155","2020-10-21","18:00:00",""
"7118054","22.3839","0.0014","36.433","0.002","10.0332","0.0007","90","","90","","90","","8182.2","0.9","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","HYC-Tetrazole","","- C22 H15 I N4 O -","- C22 H15 I N4 O -","- C352 H240 I16 N64 O16 -","16","2","","Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun","O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles.","Chemical communications (Cambridge, England)","2015","51","84","15398","15401","10.1039/c5cc05715a","","","0.71073","MoKα","","0.0412","0.0337","","","0.0694","0.0727","","","","","","0.994","","","","has coordinates","206166","2020-10-21","18:00:00",""
"7118055","7.2509","0.0008","11.487","0.0014","12.2569","0.0015","97.897","0.002","91.846","0.002","103.895","0.002","979.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","HYC-767-1","","- C17 H16 I2 N2 O3 S -","- C17 H16 I2 N2 O3 S -","- C34 H32 I4 N4 O6 S2 -","2","1","","Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun","O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles.","Chemical communications (Cambridge, England)","2015","51","84","15398","15401","10.1039/c5cc05715a","","","0.71073","MoKα","","0.0645","0.0539","","","0.1514","0.1613","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118056","17.7157","0.0006","22.1231","0.0008","25.3814","0.0009","90","","90","","90","","9947.6","0.6","100","2","100","2","","","","","","","","5","P b n b","-P 2bc 2ab","56","","","","- C20 H16 Cu N10 O4 -","- C20 H16 Cu N10 O4 -","- C160 H128 Cu8 N80 O32 -","8","1","","Manna, Biplab; Mukherjee, Soumya; Desai, Aamod V.; Sharma, Shivani; Krishna, Rajamani; Ghosh, Sujit K.","A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane.","Chemical communications (Cambridge, England)","2015","51","84","15386","15389","10.1039/c5cc06128h","","","0.71073","MoKα","","0.0814","0.0656","","","0.154","0.1646","","","","","","0.963","","","","has coordinates","170157","2020-10-21","18:00:00",""
"7118057","8.897","0.0013","6.768","0.0015","18.304","0.002","90","","90.365","0.006","90","","1102.2","0.3","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Cuyamendous, C.; Leung, K. S.; Durand, T.; Lee, J. C.-Y.; Oger, C.; Galano, J.-M.","Synthesis and discovery of phytofurans: metabolites of α-linolenic acid peroxidation.","Chemical communications (Cambridge, England)","2015","51","86","15696","15699","10.1039/c5cc05736a","","","0.72932","synchrotron","","0.0521","0.0521","","0.0491","0.0491","0.0491","","","","","","1.0434","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118058","5.06412","0.00019","18.1609","0.0012","11.4569","0.0004","90","","97.646","0.004","90","","1044.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 N2 O4 Zn -","- C20 H18 Br2 N2 O4 Zn -","- C40 H36 Br4 N4 O8 Zn2 -","2","0.5","","Zhang, Hai-Rong; Liu, Yan-Cheng; Meng, Ting; Qin, Qi-Pin; Tang, Shang-Feng; Chen, Zhen-Feng; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Cytotoxicity, DNA binding and cell apoptosis induction of a zinc(ii) complex of HBrQ","Med. Chem. Commun.","2015","6","12","2224","","10.1039/C5MD00406C","","","0.7107","MoKα","","0.0887","0.0585","","","0.1323","0.1466","","","","","","1.084","","","","has coordinates","171290","2020-10-21","18:00:00",""
"7118061","26.271","0.004","5.9202","0.0008","21.057","0.003","90","","108.458","0.002","90","","3106.5","0.8","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H34 Cl2 N2 O4 -","- C35 H34 Cl2 N2 O4 -","- C140 H136 Cl8 N8 O16 -","4","1","","Yin Zheng; Youming Wang; Zhenghong Zhou","Organocatalytic multicomponent synthesis of polysubstituted pyrroles from 1,2-diones, aldehydes and arylamines","Chem.Commun.","2015","51","","16652","","10.1039/C5cc05624A","","","0.71073","MoKα","","0.0314","0.0306","","","0.0813","0.082","","","","","","0.997","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118062","11.7515","0.0012","24.273","0.003","30.087","0.003","90","","99.776","0.002","90","","8457.5","1.6","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H30 Al2 Cl2 F72 O10 S2 -","- C62 H30 Al2 Cl2 F72 O10 S2 -","- C248 H120 Al8 Cl8 F288 O40 S8 -","4","1","","Ningning Yuan; Zaichao Zhang; Xingyong Wang; Xinping Wang","Isolation and crystal structure of a dithiophene dication: controlling covalent connection and disconnection with temperature and phase","Chem.Commun.","2015","51","","16714","","10.1039/C5cc06755C","","","0.71073","MoKα","","0.105","0.0754","","","0.2025","0.2191","","","","","","1.177","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118063","8.471","0.003","18.936","0.008","9.695","0.004","90","","99.546","0.009","90","","1533.6","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Qiang Dai; Yan Jiang; Jin-Tao Yu; Jiang Cheng","Palladium-catalyzed three-component reaction of N-tosyl hydrazones, isonitriles and amines leading to amidines","Chem.Commun.","2015","51","","16645","","10.1039/C5cc06771E","","","0.71073","MoKα","","0.0563","0.0466","","","0.1325","0.1403","","","","","","1.078","","","","has coordinates","170361","2020-10-21","18:00:00",""
"7118064","16.1844","0.0007","17.476","0.003","19.116","0.003","94.215","0.013","95.92","0.006","111.501","0.005","4967.3","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C99.5 H133 B Cl2 N4 O3 Si U -","- C99.5 H133 B Cl2 N4 O3 Si U -","- C199 H266 B2 Cl4 N8 O6 Si2 U2 -","2","1","","Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Charge control of the inverse trans-influence","Chem.Commun.","2015","51","","16671","","10.1039/C5cc07211E","","","0.71073","MoKα","","0.0933","0.056","","","0.1133","0.1246","","","","","","0.985","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118065","19.293","0.004","16.638","0.003","28.095","0.005","90","","101.198","0.011","90","","8847","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92.5 H132 F6 N4 O3 Sb Si U -","- C92.5 H132 F6 N4 O3 Sb Si U -","- C370 H528 F24 N16 O12 Sb4 Si4 U4 -","4","1","","Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Charge control of the inverse trans-influence","Chem.Commun.","2015","51","","16671","","10.1039/C5cc07211E","","","0.71073","MoKα","","0.0705","0.048","","","0.1038","0.1136","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118066","14.9276","0.0014","14.9276","0.0014","63.398","0.011","90","","90","","120","","12234","3","100","2","100","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C132 H234 F18 N8 Na O18 Sb3 Si2 U2 -","- C132 H234 F18 N8 Na O18 Sb3 Si2 U2 -","- C396 H702 F54 N24 Na3 O54 Sb9 Si6 U6 -","3","0.333333","","Henry S. La Pierre; Michael Rosenzweig; Boris Kosog; Christina Hauser; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Charge control of the inverse trans-influence","Chem.Commun.","2015","51","","16671","","10.1039/C5cc07211E","","","0.71073","MoKα","","0.0511","0.0346","","","0.0679","0.0734","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118067","15.6786","0.0006","18.9401","0.0007","7.1383","0.0003","90","","90","","90","","2119.75","0.14","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H26 Au Cl N2 -","- C24 H26 Au Cl N2 -","- C96 H104 Au4 Cl4 N8 -","4","0.5","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","","0.71073","MoKα","","0.0395","0.0286","","","0.0648","0.0705","","","","","","1.093","","","","has coordinates,has disorder","170363","2020-10-21","18:00:00",""
"7118068","10.4846","0.0007","21.4472","0.0015","11.2718","0.0008","90","0.001","94.619","0.002","90","0.001","2526.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Au N4 -","- C29 H33 Au N4 -","- C116 H132 Au4 N16 -","4","1","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","","0.71073","MoKα","","0.0295","0.0247","","","0.0596","0.0622","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118069","8.404","0.0003","13.1184","0.0004","23.6","0.0007","90","","90","","90","","2601.83","0.14","140","2","140","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H31 Au N2 -","- C32 H31 Au N2 -","- C128 H124 Au4 N8 -","4","1","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","x-ray","0.7107","MoKα","","0.0481","0.0424","","","0.0974","0.0999","","","","","","1.263","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118070","12.37","0.0009","12.3194","0.0009","18.1788","0.0013","90","0.001","104.68","0.013","90","0.001","2679.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Au N2 -","- C30 H35 Au N2 -","- C120 H140 Au4 N8 -","4","1","","Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann","Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes","Chem.Commun.","2015","51","","16629","","10.1039/C5cc07523H","","","0.71073","MoKα","","0.031","0.0279","","","0.072","0.0748","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118073","12.4961","0.0008","6.0394","0.0004","16.0699","0.001","90","","104.082","0.001","90","","1176.33","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methyl-2-phenylbicyclo[3.2.1]oct-2-ene-6,8-dione","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Shivakrishna Kallepu; Krishna Kumar Gollapelli; Jagadeesh Babu Nanubolu; Rambabu Chegondi","Synthesis of highly strained bicyclic[3.n.1]alkenes by a metal-catalyzed Conia-ene reaction","Chem.Commun.","2015","51","","16840","","10.1039/C5cc05926G","","","0.71073","MoKα","","0.0487","0.0443","","","0.1218","0.127","","","","","","1.035","","","","has coordinates","170678","2020-10-21","18:00:00",""
"7118074","10.5147","0.0013","20.272","0.002","12.1906","0.0014","90","","108.022","0.002","90","","2471","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 B10 N -","- C19 H37 B10 N -","- C76 H148 B40 N4 -","4","1","","Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie","The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound","Chem.Commun.","2015","51","","16817","","10.1039/C5cc06818E","","","0.71073","MoKα","","0.125","0.0841","","","0.2165","0.2608","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118075","8.8893","0.0014","16.193","0.003","21.266","0.003","90","","94.996","0.005","90","","3049.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H40 B11 Br2 N -","- C22.5 H36 B11 Br2 N -","- C90 H144 B44 Br8 N4 -","4","1","","Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie","The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound","Chem.Commun.","2015","51","","16817","","10.1039/C5cc06818E","","","0.71073","MoKα","","0.1641","0.0996","","","0.2281","0.2877","","","","","","0.978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118076","9.9902","0.0013","23.386","0.003","18.285","0.002","90","","96.636","0.002","90","","4243.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H56 B11 N3 -","- C30 H56 B11 N3 -","- C120 H224 B44 N12 -","4","1","","Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie","The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound","Chem.Commun.","2015","51","","16817","","10.1039/C5cc06818E","","","0.71073","MoKα","","0.2085","0.0777","","","0.1838","0.2214","","","","","","0.906","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118077","9.8557","0.0002","17.2485","0.0005","19.2849","0.0005","97.064","0.002","93.413","0.002","102.491","0.002","3163.89","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H45.5 B11 N O4 -","- C24.5 H45.5 B11 N O4 -","- C98 H182 B44 N4 O16 -","4","2","","Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie","The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound","Chem.Commun.","2015","51","","16817","","10.1039/C5cc06818E","","","0.71073","MoKα","","0.1366","0.0723","","","0.1936","0.239","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118078","19.7785","0.001","19.7785","0.001","35.613","0.002","90","","90","","90","","13931.4","1.3","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","compound 7","","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C532 H616 Au32 Cl40 Fe32 N32 O32 -","8","1","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0316","0.0244","","","0.0538","0.0561","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118079","10.8177","0.0007","18.8289","0.0012","7.6272","0.0005","90","","90","","90","","1553.55","0.17","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","compound 8","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C64 H72 Au4 Cl4 Fe4 N4 O4 -","2","0.5","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0217","0.0192","","","0.0389","0.0394","","","","","","0.922","","","","has coordinates,has disorder","171772","2020-10-21","18:00:00",""
"7118080","10.0819","0.0005","15.295","0.0006","20.4679","0.001","90","","90","","90","","3156.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","compound 8'","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0623","0.0478","","","0.0955","0.0992","","","","","","1.051","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7118081","23.387","0.005","17.301","0.004","18.913","0.004","90","","90","","90","","7653","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C280 H312 Cl24 Fe4 I12 N16 -","- C280 H312 Cl24 Fe4 I12 N16 -","- C280 H312 Cl24 Fe4 I12 N16 -","1","0.125","","Dipankar Sahoo; Sankar Prasad Rath","Controlled generation of highly saddled (porphyrinato)iron(III) iodide, tri-iodide and one-electron oxidized complexes","Chem.Commun.","2015","51","","16790","","10.1039/C5cc07111A","","","0.71073","MoKα","","0.1252","0.074","","","0.1983","0.2379","","","","","","1.046","","","","has coordinates,has disorder","170681","2020-10-21","18:00:00",""
"7118082","19.736","0.005","24.456","0.005","31.304","0.005","90","0.005","90","0.005","90","0.005","15109","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68.25 H76.5 Cl0.5 Fe I N4 -","- C68 H76 Fe I N4 -","- C544 H608 Fe8 I8 N32 -","8","1","","Dipankar Sahoo; Sankar Prasad Rath","Controlled generation of highly saddled (porphyrinato)iron(III) iodide, tri-iodide and one-electron oxidized complexes","Chem.Commun.","2015","51","","16790","","10.1039/C5cc07111A","","","0.71073","MoKα","","0.1214","0.0888","","","0.2383","0.2583","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118083","26.145","0.004","7.697","0.0012","14.341","0.002","90","","101.917","0.002","90","","2823.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C29 H34 B2 F4 N4 -","- C29 H34 B2 F4 N4 -","- C116 H136 B8 F16 N16 -","4","0.5","","Changjiang Yu; Lijuan Jiao; Tingting Li; Qinghua Wu; Wei Miao; Jun Wang; Yun Wei; Xiaolong Mu; Erhong Hao","Fusion and planarization of bisBODIPY: a new family of photostable near infrared dyes","Chem.Commun.","2015","51","","16852","","10.1039/C5cc07304A","","","0.71073","MoKα","","0.0905","0.07","","","0.1807","0.1978","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118084","23.035","0.002","17.8506","0.0018","7.0291","0.0007","90","","90","","90","","2890.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","1","","- C29 H32 B2 F4 N4 -","- C29 H32 B2 F4 N4 -","- C116 H128 B8 F16 N16 -","4","0.5","","Changjiang Yu; Lijuan Jiao; Tingting Li; Qinghua Wu; Wei Miao; Jun Wang; Yun Wei; Xiaolong Mu; Erhong Hao","Fusion and planarization of bisBODIPY: a new family of photostable near infrared dyes","Chem.Commun.","2015","51","","16852","","10.1039/C5cc07304A","","","0.71073","MoKα","","0.0798","0.0674","","","0.2346","0.25","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118085","13.798","0.0014","32.546","0.004","13.7267","0.0016","90","","100.33","0.01","90","","6064.3","1.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H104 N17 O7 Pd2 -","- C128 H104 N17 O7 Pd2 -","- C256 H208 N34 O14 Pd4 -","2","0.5","","Li-Peng Zhou; Qing-Fu Sun","A self-assembled Pd2L4 cage that selectively encapsulates nitrate","Chem.Commun.","2015","51","","16767","","10.1039/C5cc07306E","","","1.54178","CuKα","","0.1473","0.117","","","0.2797","0.3275","","","","","","1.201","","","","has coordinates,has disorder","170683","2020-10-21","18:00:00",""
"7118086","7.7592","0.0008","21.8617","0.0017","8.2702","0.0008","90","","113.794","0.012","90","","1283.6","0.2","294.76","0.1","294.76","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N -","- C18 H17 N -","- C72 H68 N4 -","4","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives","Chem.Commun.","2015","51","","16798","","10.1039/C5cc07411H","","x-ray","1.54184","CuKα","","0.0512","0.0454","","","0.112","0.1197","","","","","","1.067","","","","has coordinates","170684","2020-10-21","18:00:00",""
"7118087","8.363","0.0006","16.4293","0.0008","25.672","0.0015","90","","90","","90","","3527.3","0.4","294.76","0.1","294.76","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N -","- C22 H25 N -","- C176 H200 N8 -","8","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives","Chem.Commun.","2015","51","","16798","","10.1039/C5cc07411H","","x-ray","1.54184","CuKα","","0.0898","0.063","","","0.1695","0.2038","","","","","","1.018","","","","has coordinates","170684","2020-10-21","18:00:00",""
"7118088","9.4496","0.0006","10.255","0.0005","11.237","0.0006","102.651","0.004","93.971","0.005","114.471","0.005","951.23","0.1","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Hong-Wen Liang; Kun Jiang; Wei Ding; Yi Yuan; Li Shuai; Ying-Chun Chen; Ye Wei","Selective remote C-H sulfonylation of aminoquinolines with arylsulfonyl chlorides via copper catalysis","Chem.Commun.","2015","51","","16928","","10.1039/C5cc05527J","","x-ray","1.54184","CuKα","","0.0478","0.0466","","","0.1262","0.1273","","","","","","1.052","","","","has coordinates","170685","2020-10-21","18:00:00",""
"7118089","7.261","0.005","9.44","0.005","15.434","0.005","92.805","0.005","95.279","0.005","96.848","0.005","1044","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","","Hong-Wen Liang; Kun Jiang; Wei Ding; Yi Yuan; Li Shuai; Ying-Chun Chen; Ye Wei","Selective remote C-H sulfonylation of aminoquinolines with arylsulfonyl chlorides via copper catalysis","Chem.Commun.","2015","51","","16928","","10.1039/C5cc05527J","","","0.71069","MoKα","","0.0498","0.0408","","","0.1122","0.1187","","","","","","1.062","","","","has coordinates","170685","2020-10-21","18:00:00",""
"7118090","24.9779","0.0002","15.3332","0.00016","25.33735","0.00019","90","","90","","90","","9703.98","0.15","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H63 F12 Fe N7 Ni P2 S2 -","- C33 H63 F12 Fe N7 Ni P2 S2 -","- C264 H504 F96 Fe8 N56 Ni8 P16 S16 -","8","1","","Carlo U. Perotto; George Marshall; Graham J. Jones; E. Stephen Davies; William Lewis; Jonathan McMaster; Martin Schroder","A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases","Chem.Commun.","2015","51","","16988","","10.1039/C5cc05881C","","x-ray","1.54184","CuKα","","0.0371","0.0351","","","0.0942","0.0958","","","","","","1.042","","","","has coordinates,has disorder","170686","2020-10-21","18:00:00",""
"7118091","26.238","0.002","14.1876","0.0015","16.8586","0.0011","90","","98.014","0.007","90","","6214.4","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Eu-bpydc","","- C36 Eu2 N6 O17 -","- C36 Eu2 N6 O17 -","- C144 Eu8 N24 O68 -","4","1","","Xinping Lin; Yahui Hong; Chao Zhang; Ruiyun Huang; Cheng Wang; Wenbin Lin","Pre-concentration and energy transfer enable the efficient luminescence sensing of transition metal ions by metal-organic frameworks","Chem.Commun.","2015","51","","16996","","10.1039/C5cc06453H","","","0.71073","MoKα","","0.1507","0.087","","","0.2294","0.2762","","","","","","1.06","","","","has coordinates,has disorder","170687","2020-10-21","18:00:00",""
"7118092","26.531","0.002","13.617","0.004","16.4067","0.0019","90","","98.04","0.011","90","","5869","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Eu-bpydc-Cu","","- C36 Cu1.02 Eu2 N7 O15 -","- C36 Cu1.02 Eu2 N6 O15 -","- C144 Cu4.08 Eu8 N24 O60 -","4","1","","Xinping Lin; Yahui Hong; Chao Zhang; Ruiyun Huang; Cheng Wang; Wenbin Lin","Pre-concentration and energy transfer enable the efficient luminescence sensing of transition metal ions by metal-organic frameworks","Chem.Commun.","2015","51","","16996","","10.1039/C5cc06453H","","","1.54184","CuKα","","0.1862","0.1266","","","0.303","0.3609","","","","","","1.029","","","","has coordinates","170687","2020-10-21","18:00:00",""
"7118093","7.7915","0.0004","14.3961","0.0008","23.6463","0.0019","90","","90","","90","","2652.3","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Cl2 N2 Zn -","- C20 H42 Cl2 N2 Zn -","- C80 H168 Cl8 N8 Zn4 -","4","1","","Jezabel Praz; Julien Graff; Leo Egger; Laure Guenee; Simon Wagschal; E. Peter Kundig; Alexandre Alexakis","Asymmetric bromine-lithium exchange: on the importance of both the diamine ligand and the organolithium reagent","Chem.Commun.","2015","51","","16912","","10.1039/C5cc06548H","","","0.71073","MoKα","","0.0507","0.047","","","0.1356","0.1382","","","","","","1.087","","","","has coordinates,has disorder","170688","2020-10-21","18:00:00",""
"7118094","42.616","0.007","17.397","0.003","18.769","0.003","90","","98.476","0.003","90","","13763","4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1b","","","- C140 H170.52 Cl9.78 S4 -","- C139.257 H170.514 Cl9.7712 S4 -","- C557.028 H682.056 Cl39.0848 S16 -","4","0.5","","Shohei Kato; Yuma Serizawa; Daisuke Sakamaki; Shu Seki; Yoshihiro Miyake; Hiroshi Shinokubo","Diversity-oriented synthesis of tetrathia[8]circulenes by sequential C-H borylation and annulation","Chem.Commun.","2015","51","","16944","","10.1039/C5cc06921A","","","0.71075","MoKα","","0.0697","0.059","","","0.1666","0.1793","","","","","","1.037","","","","has coordinates,has disorder","170689","2020-10-21","18:00:00",""
"7118095","4.7699","0.0019","13.122","0.005","14.121","0.005","68.2","0.014","74.332","0.019","85.09","0.02","790","0.5","103","2","103","2","","","","","","","","3","P -1","-P 1","2","1d","","","- C40 H40 S4 -","- C40 H40 S4 -","- C40 H40 S4 -","1","0.5","","Shohei Kato; Yuma Serizawa; Daisuke Sakamaki; Shu Seki; Yoshihiro Miyake; Hiroshi Shinokubo","Diversity-oriented synthesis of tetrathia[8]circulenes by sequential C-H borylation and annulation","Chem.Commun.","2015","51","","16944","","10.1039/C5cc06921A","","","0.71075","MoKα","","0.1347","0.0919","","","0.2501","0.3208","","","","","","1.065","","","","has coordinates","170689","2020-10-21","18:00:00",""
"7118096","25.926","0.009","10.268","0.004","9.738","0.003","90","","90","","90","","2592.3","1.6","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","5","","","- C15.5 H9 Cl S2 -","- C15.5 H9 Cl S2 -","- C124 H72 Cl8 S16 -","8","2","","Shohei Kato; Yuma Serizawa; Daisuke Sakamaki; Shu Seki; Yoshihiro Miyake; Hiroshi Shinokubo","Diversity-oriented synthesis of tetrathia[8]circulenes by sequential C-H borylation and annulation","Chem.Commun.","2015","51","","16944","","10.1039/C5cc06921A","","","0.71075","MoKα","","0.0715","0.0669","","","0.1793","0.1861","","","","","","1.049","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118097","12.2323","0.0006","13.9489","0.0007","16.2345","0.0008","76.272","0.002","81.959","0.002","78.768","0.002","2626.6","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H67 B4 O8 S4 -","- C47 H67 B4 O8 S4 -","- C94 H134 B8 O16 S8 -","2","1","","Shohei Kato; Yuma Serizawa; Daisuke Sakamaki; Shu Seki; Yoshihiro Miyake; Hiroshi Shinokubo","Diversity-oriented synthesis of tetrathia[8]circulenes by sequential C-H borylation and annulation","Chem.Commun.","2015","51","","16944","","10.1039/C5cc06921A","","","0.71073","MoKα","","0.0627","0.0548","","","0.1413","0.1563","","","","","","1.047","","","","has coordinates,has disorder","170689","2020-10-21","18:00:00",""
"7118098","15.504","0.003","16.732","0.003","17.196","0.003","82.46","0.03","65.65","0.03","68.98","0.03","3792.9","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Cl8 F12 Ir2 N12 P2 -","- C54 H34 Cl8 F12 Ir2 N12 P2 -","- C108 H68 Cl16 F24 Ir4 N24 P4 -","2","1","","Guangfu Li; Wei Guan; Shuang Du; Dongxia Zhu; Guogang Shan; Xiaojuan Zhu; Likai Yan; Zhongmin Su; Martin R. Bryce; Andrew P. Monkmand","Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media","Chem.Commun.","2015","51","","16924","","10.1039/C5cc07187A","","","0.71073","MoKα","","0.1281","0.0727","","","0.1928","0.2199","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118099","16.263","0.003","16.337","0.003","17.18","0.003","99.21","0.03","117.64","0.03","103.45","0.03","3738","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H51 Cl10 Ir2 N16 O8.5 -","- C64 H51 Cl10 Ir2 N16 O8.5 -","- C128 H102 Cl20 Ir4 N32 O17 -","2","1","","Guangfu Li; Wei Guan; Shuang Du; Dongxia Zhu; Guogang Shan; Xiaojuan Zhu; Likai Yan; Zhongmin Su; Martin R. Bryce; Andrew P. Monkmand","Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media","Chem.Commun.","2015","51","","16924","","10.1039/C5cc07187A","","","0.71073","MoKα","","0.0995","0.0596","","","0.1511","0.1761","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118100","11.0662","0.0011","18.0408","0.0019","18.1054","0.0018","78.903","0.002","80.228","0.002","75.744","0.002","3409.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H45 Cl10 Ir2 N14 O8.5 -","- C60 H45 Cl10 Ir2 N14 O8.5 -","- C120 H90 Cl20 Ir4 N28 O17 -","2","1","","Guangfu Li; Wei Guan; Shuang Du; Dongxia Zhu; Guogang Shan; Xiaojuan Zhu; Likai Yan; Zhongmin Su; Martin R. Bryce; Andrew P. Monkmand","Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media","Chem.Commun.","2015","51","","16924","","10.1039/C5cc07187A","","","0.71073","MoKα","","0.1294","0.065","","","0.1562","0.1925","","","","","","1.011","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118101","13.7573","0.0004","11.3705","0.0003","20.9159","0.0005","90","","98.182","0.001","90","","3238.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 P Pt -","- C36 H51 P Pt -","- C144 H204 P4 Pt4 -","4","1","","Laura Ortega-Moreno; Riccardo Peloso; Celia Maya; Andres Suarez; Ernesto Carmona","Platinum(0) olefin complexes of a bulky terphenylphosphine ligand. Synthetic, structural and reactivity studies","Chem.Commun.","2015","51","","17008","","10.1039/C5cc07308A","","","0.71073","MoKα","","0.0406","0.0268","","","0.0556","0.0608","","","","","","0.904","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118102","9.9449","0.0006","12.8244","0.0007","14.3077","0.0008","82.197","0.002","86.808","0.002","72.959","0.002","1728.25","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H55 P Pt -","- C38 H55 P Pt -","- C76 H110 P2 Pt2 -","2","1","","Laura Ortega-Moreno; Riccardo Peloso; Celia Maya; Andres Suarez; Ernesto Carmona","Platinum(0) olefin complexes of a bulky terphenylphosphine ligand. Synthetic, structural and reactivity studies","Chem.Commun.","2015","51","","17008","","10.1039/C5cc07308A","","","0.71073","MoKα","","0.0653","0.0489","","","0.0914","0.0993","","","","","","1.284","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7118103","18.9177","0.0004","18.9177","0.0004","17.466","0.0004","90","","90","","120","","5413.3","0.2","95","2","95","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C99 H129 O3 P3 Pt3 -","- C99 H129 O3 P3 Pt3 -","- C198 H258 O6 P6 Pt6 -","2","0.166667","","Laura Ortega-Moreno; Riccardo Peloso; Celia Maya; Andres Suarez; Ernesto Carmona","Platinum(0) olefin complexes of a bulky terphenylphosphine ligand. Synthetic, structural and reactivity studies","Chem.Commun.","2015","51","","17008","","10.1039/C5cc07308A","","","0.56086","AgKα","","0.0302","0.0237","","","0.076","0.083","","","","","","0.644","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7118104","10.4699","0.0007","10.9521","0.0007","12.2593","0.0007","108.143","0.003","95.509","0.004","106.047","0.004","1258.03","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","ER_F","","- C29 H25 B F2 N2 O2 -","- C29 H25 B F2 N2 O2 -","- C58 H50 B2 F4 N4 O4 -","2","1","","Firoj Ali; Anila H. A.; Nandaraj Taye; Rajesh G. Gonnade; Samit Chattopadhyay; Amitava Das","A fluorescent probe for specific detection of cysteine in the lipid dense region of cells","Chem.Commun.","2015","51","","16932","","10.1039/C5cc07450A","","","0.71073","MoKα","","0.0758","0.0516","","","0.1417","0.1606","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118105","21.883","0.003","5.8646","0.0008","17.6","0.002","90","","109.12","0.003","90","","2134.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br2 N2 S2 -","- C22 H20 Br2 N2 S2 -","- C88 H80 Br8 N8 S8 -","4","0.5","","Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi","Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines","Chem.Commun.","2015","51","","16968","","10.1039/C5cc07511D","","","0.71073","MoKα","","0.0643","0.0485","","","0.1158","0.1252","","","","","","1.067","","","","has coordinates","170694","2020-10-21","18:00:00",""
"7118106","5.9732","0.0009","7.2898","0.0011","11.9181","0.0019","90","","100.646","0.003","90","","510.02","0.14","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N S -","- C12 H13 N S -","- C24 H26 N2 S2 -","2","1","","Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi","Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines","Chem.Commun.","2015","51","","16968","","10.1039/C5cc07511D","","","0.71073","MoKα","","0.042","0.0367","","","0.0874","0.0913","","","","","","1.075","","","","has coordinates","170694","2020-10-21","18:00:00",""
"7118107","32.732","0.002","9.3213","0.0007","12.9047","0.0009","90","","92.347","0.001","90","","3934","0.5","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N O2 S2 -","- C23 H21 N O2 S2 -","- C184 H168 N8 O16 S16 -","8","1","","Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi","Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines","Chem.Commun.","2015","51","","16968","","10.1039/C5cc07511D","","","0.71073","MoKα","","0.0473","0.0365","","","0.0982","0.1104","","","","","","1.069","","","","has coordinates","170694","2020-10-21","18:00:00",""
"7118108","13.134","0.002","15.776","0.003","12.1965","0.0019","90","","106.946","0.004","90","","2417.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C116 H104 N8 O8 S4 -","4","1","","Yu Jiang; Run Sun; Qiang Wang; Xiang-Ying Tang; Min Shi","Cyclization of sulfide, ether or tertiary amine-tethered N-sulfonyl-1,2,3-triazoles: a facile synthetic protocol for 3-substituted isoquinolines or dihydroisoquinolines","Chem.Commun.","2015","51","","16968","","10.1039/C5cc07511D","","","0.71073","MoKα","","0.0908","0.0659","","","0.1457","0.1582","","","","","","1.094","","","","has coordinates","170694","2020-10-21","18:00:00",""
"7118109","9.9297","0.0003","9.6354","0.0003","10.6037","0.0003","90","","90.08","0.002","90","","1014.53","0.05","296","2","296.15","","","","","","","","Synthesized","3","P 1 21 1","P 2yb","4","","1,3,4,5-Tetraphenyl-1H-pyrazole","","- C27 H20 N2 -","- C27 H20 N2 -","- C54 H40 N4 -","2","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.0639","0.0442","","","0.0996","0.1081","","","","","","1.038","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7118110","9.7331","0.0003","9.7771","0.0003","10.5392","0.0003","90","","90.204","0.002","90","","1002.92","0.05","296","2","296.15","","","","","","","","Synthesized","3","P 1 21 1","P 2yb","4","","1-(2-Pyridyl)-3,4,5-triphenyl-1H-pyrazole","","- C26 H19 N3 -","- C26 H19 N3 -","- C52 H38 N6 -","2","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.069","0.0441","","","0.1049","0.1186","","","","","","1.037","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7118111","29.627","0.01","36.79","0.012","5.865","0.002","90","","90","","90","","6393","4","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C336 H256 N32 -","16","1","","Sayani Mukherjee; P. S. Salini; A. Srinivasan; S Peruncheralathan","AIEE phenomenon: tetraaryl vs. triaryl pyrazoles","Chem.Commun.","2015","51","","17148","","10.1039/C5cc05973A","","","0.71073","MoKα","","0.0557","0.0401","","","0.0907","0.0992","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118112","13.635","0.004","13.766","0.004","14.405","0.007","108.215","0.01","105.015","0.01","110.595","0.007","2187.4","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 F7 O2 -","- C23 H17 F7 O2 -","- C92 H68 F28 O8 -","4","2","","Can Xue; Xin Huang; Shangze Wu; Jing Zhou; Jianxin Dai; Chunling Fu; Shengming Ma","TfOH-catalyzed domino cycloisomerization/hydrolytic defluorination of 2,3-allenyl perfluoroalkyl ketones","Chem.Commun.","2015","51","","17112","","10.1039/C5cc06111C","","","0.71073","MoKα","","0.1732","0.1199","","","0.2977","0.323","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118113","7.9878","0.0001","33.9352","0.0006","39.1992","0.0007","90","","90","","90","","10625.6","0.3","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C48 H32 Br8 Cu10 N4 O9 -","- C48 H32 Br8 Cu10 N4 O9 -","- C384 H256 Br64 Cu80 N32 O72 -","8","0.25","","Wei-Hui Fang; Lei Zhang; Jian Zhang; Guo-Yu Yang","A highly stable face-extended diamondoid cluster-organic framework incorporating infinite inorganic guests","Chem.Commun.","2015","51","","17174","","10.1039/C5cc06931A","","","1.54178","CuKα","","0.0616","0.0606","","","0.1881","0.1884","","","","","","1.166","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118114","7.7711","0.0003","11.0137","0.0003","12.6885","0.0003","90","","90","","90","","1085.99","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O6 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gaoyuan Zhao; Min He; Huilin Li; Shuangshuang Duan; Ziyun Yuan; Xingang Xie; Xuegong She","Domino intramolecular Diels-Alder reactions to construct a 6/6/5/5 fused tetracyclic framework","Chem.Commun.","2015","51","","17321","","10.1039/C5cc06923H","","","1.5418","CuKα","","0.0433","0.0422","","","0.1101","0.1112","","","","","","1.065","","","","has coordinates","170726","2020-10-21","18:00:00",""
"7118115","15.8905","0.0018","6.1745","0.0005","19.186","0.004","90","","104.581","0.016","90","","1821.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C84 H120 O18 -","6","3","","Gaoyuan Zhao; Min He; Huilin Li; Shuangshuang Duan; Ziyun Yuan; Xingang Xie; Xuegong She","Domino intramolecular Diels-Alder reactions to construct a 6/6/5/5 fused tetracyclic framework","Chem.Commun.","2015","51","","17321","","10.1039/C5cc06923H","","","0.7107","MoKα","","0.1558","0.0739","","","0.1263","0.1775","","","","","","1.036","","","","has coordinates","170726","2020-10-21","18:00:00",""
"7118116","8.665","0.005","8.683","0.004","9.769","0.004","80.53","0.04","76.38","0.04","76.01","0.05","688.6","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","1","0.5","","Yukun Zhao; Junqi Lin; Yongdong Liu; Baochun Ma; Yong Ding; Mindong Chen","Efficient light-driven water oxidation catalyzed by a mononuclear cobalt(III) complex","Chem.Commun.","2015","51","","17309","","10.1039/C5cc07448G","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118117","9.4905","0.0003","13.4085","0.0004","15.1433","0.0005","77.19","0.0017","87.743","0.0019","74.954","0.0018","1814.32","0.1","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 N2 S2 -","- C40 H10 N2 S2 -","- C80 H20 N4 S4 -","2","1","","Daisuke Sakamaki; Daisuke Kumano; Eiji Yashim; Shu Seki","A double hetero[4]helicene composed of two phenothiazines: synthesis, structural properties, and cationic states","Chem.Commun.","2015","51","","17237","","10.1039/C5cc07680C","","","1.54187","CuKα","","","0.1141","","","","0.3942","","","","","","1.001","","","","has coordinates","170728","2020-10-21","18:00:00",""
"7118118","11.982","0.004","15.925","0.006","24.598","0.009","90","","90.15","0.006","90","","4694","3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cl8 N2 S2 Sb -","- C41 H10 Cl8 N2 S2 Sb -","- C164 H40 Cl32 N8 S8 Sb4 -","4","1","","Daisuke Sakamaki; Daisuke Kumano; Eiji Yashim; Shu Seki","A double hetero[4]helicene composed of two phenothiazines: synthesis, structural properties, and cationic states","Chem.Commun.","2015","51","","17237","","10.1039/C5cc07680C","","","0.71075","MoKα","","","0.1013","","","","0.3008","","","","","","1.058","","","","has coordinates","170728","2020-10-21","18:00:00",""
"7118119","23.0126","0.0005","29.0068","0.0006","22.0641","0.0004","90","","104.716","0.0007","90","","14245.1","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H52 N2 O S2 -","- C40.5 H12 N2 O0.5 S2 -","- C648 H192 N32 O8 S32 -","16","2","","Daisuke Sakamaki; Daisuke Kumano; Eiji Yashim; Shu Seki","A double hetero[4]helicene composed of two phenothiazines: synthesis, structural properties, and cationic states","Chem.Commun.","2015","51","","17237","","10.1039/C5cc07680C","","","1.54187","CuKα","","","0.1064","","","","0.3091","","","","","","1.05","","","","has coordinates","170728","2020-10-21","18:00:00",""
"7118120","16.337","0.0012","20.1317","0.0013","20.3767","0.0014","103.182","0.0019","91.496","0.002","112.226","0.0018","5993.2","0.7","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Cl12 N2 S2 Sb2 -","- C45.5 H11.5 Cl12 N2 S2 Sb2 -","- C182 H46 Cl48 N8 S8 Sb8 -","4","2","","Daisuke Sakamaki; Daisuke Kumano; Eiji Yashim; Shu Seki","A double hetero[4]helicene composed of two phenothiazines: synthesis, structural properties, and cationic states","Chem.Commun.","2015","51","","17237","","10.1039/C5cc07680C","","","0.71075","MoKα","","0.3148","0.1484","","","0.3031","0.3957","","","","","","1.015","","","","has coordinates","170728","2020-10-21","18:00:00",""
"7118121","19.3834","0.0015","27.657","0.002","15.3958","0.0011","90","","90","","90","","8253.5","1.1","273","2","273","2","","","","","","","","7","P m m n","-P 2ab 2a","59","","","","- C84 H132 Cl12 Cu4 Dy4 N28 O48 -","- C84 H68 Cl10 Cu4 Dy4 N28 O48 -","- C168 H136 Cl20 Cu8 Dy8 N56 O96 -","2","","","Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang","Constructing supramolecular grids: from 4f square to 3d-4f grid","Chem.Commun.","2015","51","","17317","","10.1039/C5cc06960B","","","0.71073","MoKα","","0.1814","0.1311","","","0.3842","0.4479","","","","","","1.727","","","","has coordinates","170729","2020-10-21","18:00:00",""
"7118122","21.384","0.003","21.384","0.003","38.507","0.006","90","","90","","90","","17608","4","296","2","296","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C80 H76 Dy4 F12 N28 O44 S4 -","- C80 H52 Dy4 F12 N28 O44 S4 -","- C320 H208 Dy16 F48 N112 O176 S16 -","4","","","Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang","Constructing supramolecular grids: from 4f square to 3d-4f grid","Chem.Commun.","2015","51","","17317","","10.1039/C5cc06960B","","","0.71073","MoKα","","0.1603","0.0985","","","0.2971","0.3384","","","","","","1.186","","","","has coordinates","170729","2020-10-21","18:00:00",""
"7118123","21.9388","0.0014","21.9388","0.0014","16.335","0.0011","90","","90","","90","","7862.2","0.9","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C76 H76 Cl12 Dy4 N28 O16 -","- C76 H76 Cl12 Dy4 N28 O16 -","- C152 H152 Cl24 Dy8 N56 O32 -","2","","","Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang","Constructing supramolecular grids: from 4f square to 3d-4f grid","Chem.Commun.","2015","51","","17317","","10.1039/C5cc06960B","","","0.71073","MoKα","","0.1544","0.0817","","","0.2662","0.3436","","","","","","1.051","","","","has coordinates","170729","2020-10-21","18:00:00",""
"7118124","28.122","0.003","28.122","0.003","28.122","0.003","90","","90","","90","","22240","4","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C14 H4 N O9 Zn2 -","- C14 H4 N O9 Zn2 -","- C336 H96 N24 O216 Zn48 -","24","0.5","","Jia, Yan-Yuan; Zhang, Ying-Hui; Xu, Jian; Feng, Rui; Zhang, Ming-Shi; Bu, Xian-He","A high-performance ""sweeper"" for toxic cationic herbicides: an anionic metal-organic framework with a tetrapodal cage.","Chemical communications (Cambridge, England)","2015","51","98","17439","17442","10.1039/c5cc07249b","","","0.71073","MoKα","","0.0632","0.0537","","","0.1498","0.1537","","","","","","1.074","","","","has coordinates","170849","2020-10-21","18:00:00",""
"7118125","21.656","0.002","19.8282","0.0019","22.267","0.003","90","","106.048","0.0019","90","","9188.8","1.7","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","11.35","","- C72.5 H101.76 N12 O7.38 -","- C72.5 H96 N12 O7.375 -","- C290 H384 N48 O29.5 -","4","1","","Briggs, Michael E.; Slater, Anna G.; Lunt, Neil; Jiang, Shan; Little, Marc A.; Greenaway, Rebecca L.; Hasell, Tom; Battilocchio, Claudio; Ley, Steven V.; Cooper, Andrew I.","Dynamic flow synthesis of porous organic cages.","Chemical communications (Cambridge, England)","2015","51","98","17390","17393","10.1039/c5cc07447a","","x-ray","0.71073","MoKα","","0.1878","0.131","","","0.2925","0.3209","","","","","","1.683","","","","has coordinates,has disorder","170850","2020-10-21","18:00:00",""
"7118126","11.8894","0.0004","5.2299","0.0002","17.4663","0.0005","90","","97.279","0.002","90","","1077.31","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-705 as-synthesized","","","- C17 H18 N2 Na4 O12 -","- C17 H18 N2 Na4 O12 -","- C34 H36 N4 Na8 O24 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","1.54178","CuKα","","0.0504","0.0415","","","0.0926","0.0965","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118127","24.0448","0.0019","5.2432","0.0005","16.9833","0.0014","90","","103.366","0.006","90","","2083.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-705 after supercritical CO2","","","- C16.54 H16.85 N2 Na4 O12.85 -","- C16.5416 H16.848 N2 Na4 O12.857 -","- C66.1666 H67.392 N8 Na16 O51.428 -","4","2","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","0.7749","synchrotron","","0.1066","0.0684","","","0.1638","0.1878","","","","","","1.009","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7118128","12.079","0.0015","5.2419","0.0006","21.254","0.003","90","","103.886","0.006","90","","1306.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-706 as-synthesized","","","- C22.5 H20.5 N2 Na4 O13 -","- C22.5 H20.5 N2 Na4 O13 -","- C45 H41 N4 Na8 O26 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","0.8856","synchrotron","","0.0977","0.0721","","","0.1879","0.2093","","","","","","1.07","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118129","11.9807","0.0016","5.2345","0.0006","21.796","0.003","90","","99.274","0.01","90","","1349","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","MOF-706 after supercritical CO2","","","- C22.25 H19.25 N2 Na4 O11.5 -","- C22.25 H19.25 N2 Na4 O11.5 -","- C44.5 H38.5 N4 Na8 O23 -","2","1","","Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.","l-Aspartate links for stable sodium metal-organic frameworks.","Chemical communications (Cambridge, England)","2015","51","98","17463","17466","10.1039/c5cc07578e","","","1.0333","synchrotron","","0.1392","0.1176","","","0.297","0.3174","","","","","","1.273","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118130","15.722","0.003","15.738","0.003","18.629","0.004","104.9","0.03","114.87","0.03","91.3","0.03","3996.1","1.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C120 H130 Cu4 N10 O46 S4 -","- C120 H130 Cu4 N10 O46 S4 -","- C120 H130 Cu4 N10 O46 S4 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.71073","MoKα","","0.1296","0.0716","","","0.1882","0.2291","","","","","","1.012","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118131","15.702","0.003","15.714","0.0012","18.656","0.003","113.62","0.0019","107.65","0.004","90.7","0.007","3971.6","1","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C131.5 H156 Cu4 N12.5 O47.5 S4 -","- C131.5 H154 Cu4 N12.5 O47.5 S4 -","- C131.5 H154 Cu4 N12.5 O47.5 S4 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.0736","0.066","","","0.1874","0.1967","","","","","","1.031","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118132","15.638","0.003","15.832","0.0006","18.482","0.0019","72.648","0.007","65.229","0.003","89.532","0.012","3929.5","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C120 H108 Cu4 D24 N8 O46 S8 -","- C120 H108 Cu4 D24 N8 O46 S8 -","- C120 H108 Cu4 D24 N8 O46 S8 -","1","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.0966","0.083","","","0.2378","0.2555","","","","","","1.037","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118133","33.892","0.004","15.712","0.003","62.235","0.008","90","","104.151","0.005","90","","32135","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H125 Cu4 N9 O45 S4 -","- C118 H125 Cu4 N9 O45 S4 -","- C944 H1000 Cu32 N72 O360 S32 -","8","1","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.1245","0.1148","","","0.2806","0.2863","","","","","","1.02","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118134","14.751","0.01","17.672","0.003","19.46","0.006","102.82","0.012","107.63","0.02","106.68","0.02","4358","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H134 Cu4 N10 O46 S4 -","- C122 H134 Cu4 N10 O46 S4 -","- C122 H134 Cu4 N10 O46 S4 -","1","0.5","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.1069","0.0873","","","0.2474","0.2665","","","","","","1.032","","","","has coordinates","170852","2020-10-21","18:00:00",""
"7118135","16.094","0.003","20.448","0.004","20.371","0.004","90","","101.2","0.03","90","","6576","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98.5 H91.5 Cu4 N11.5 O49 S4 -","- C98.5 H89.5 Cu4 N11.5 O49 S4 -","- C197 H179 Cu8 N23 O98 S8 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.","Chemical communications (Cambridge, England)","2015","51","98","17375","17378","10.1039/c5cc07422c","","","0.7108","Synchrotron","","0.0758","0.0719","","","0.2199","0.2238","","","","","","1.069","","","","has coordinates,has disorder","170852","2020-10-21","18:00:00",""
"7118136","8.1126","0.0002","18.8402","0.0006","19.4228","0.0006","88.825","0.001","88.363","0.002","84.224","0.002","2951.9","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(SPBipy)Br","Spiropyran-ethane-bipyridine","","- C30 H27 Br N4 O3 -","- C30 H27 Br N4 O3 -","- C120 H108 Br4 N16 O12 -","4","2","","Hernández-Melo, Denhy; Tiburcio, Jorge","Coupled molecular motions driven by light or chemical inputs: spiropyran to merocyanine isomerisation followed by pseudorotaxane formation.","Chemical communications (Cambridge, England)","2015","51","99","17564","17567","10.1039/c5cc07056b","","","0.71073","MoKα","","0.1516","0.1037","","","0.2575","0.2858","","","","","","1.024","","","","has coordinates,has disorder","170853","2020-10-21","18:00:00",""
"7118137","24.736","0.007","21.701","0.007","25.337","0.007","90","","109.956","0.005","90","","12784","7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H25 N2.5 O16 Zn4 -","- C46 H25 N2.5 O16 Zn4 -","- C184 H100 N10 O64 Zn16 -","4","1","","Hu, Xiao-Li; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","A luminescent dye@MOF as a dual-emitting platform for sensing explosives.","Chemical communications (Cambridge, England)","2015","51","99","17521","17524","10.1039/c5cc07004j","","","0.71073","MoKα","","0.0958","0.0454","","","0.0921","0.0999","","","","","","0.778","","","","has coordinates","170854","2020-10-21","18:00:00",""
"7118138","9.7733","0.0003","11.0266","0.0004","15.5654","0.0003","101.301","0.002","100.49","0.002","101.672","0.003","1567.37","0.09","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C48 H48 Cl8 F12 Mn2 N10 O12 S4 -","2","1","","Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G.","Electronic vs. structural ordering in a manganese(iii) spin crossover complex.","Chemical communications (Cambridge, England)","2015","51","99","17540","17543","10.1039/c5cc05129k","","x-ray","1.54184","CuKα","","0.07","0.0686","","","0.1849","0.1864","","","","","","1.066","","","","has coordinates,has disorder","170855","2020-10-21","18:00:00",""
"7118139","9.9211","0.0004","11.2426","0.0005","15.4284","0.0007","102.26","0.004","100.491","0.004","100.192","0.004","1611.34","0.13","210","0.1","210","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C48 H48 Cl8 F12 Mn2 N10 O12 S4 -","2","1","","Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G.","Electronic vs. structural ordering in a manganese(iii) spin crossover complex.","Chemical communications (Cambridge, England)","2015","51","99","17540","17543","10.1039/c5cc05129k","","x-ray","1.54184","CuKα","","0.0564","0.0539","","","0.1489","0.1517","","","","","","1.069","","","","has coordinates,has disorder","170855","2020-10-21","18:00:00",""
"7118140","9.9196","0.0003","20.8595","0.0006","16.9831","0.0004","107.737","0.002","106.146","0.002","87.684","0.002","3211.27","0.16","185","0.1","185","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C96 H96 Cl16 F24 Mn4 N20 O24 S8 -","4","2","","Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G.","Electronic vs. structural ordering in a manganese(iii) spin crossover complex.","Chemical communications (Cambridge, England)","2015","51","99","17540","17543","10.1039/c5cc05129k","","x-ray","1.54184","CuKα","","0.0493","0.0433","","","0.1156","0.1241","","","","","","1.047","","","","has coordinates,has disorder","170855","2020-10-21","18:00:00",""
"7118141","9.9941","0.0004","11.2766","0.0004","15.4647","0.0005","102.353","0.003","100.671","0.003","100.272","0.003","1629.38","0.11","260","2","260","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C24 H24 Cl4 F6 Mn N5 O6 S2 -","- C48 H48 Cl8 F12 Mn2 N10 O12 S4 -","2","1","","Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G.","Electronic vs. structural ordering in a manganese(iii) spin crossover complex.","Chemical communications (Cambridge, England)","2015","51","99","17540","17543","10.1039/c5cc05129k","","x-ray","1.54184","CuKα","","0.0744","0.0708","","","0.2179","0.224","","","","","","1.105","","","","has coordinates,has disorder","170855","2020-10-21","18:00:00",""
"7118142","10.596","0.0009","11.039","0.0009","11.6053","0.0009","90","","90","","90","","1357.46","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 B O2 P -","- C12 H20 B O2 P -","- C48 H80 B4 O8 P4 -","4","1","","Orgué, Sílvia; Flores-Gaspar, Areli; Biosca, Maria; Pàmies, Oscar; Diéguez, Montserrat; Riera, Antoni; Verdaguer, Xavier","Stereospecific SN2@P reactions: novel access to bulky P-stereogenic ligands.","Chemical communications (Cambridge, England)","2015","51","99","17548","17551","10.1039/c5cc07504a","","","0.71073","MoKα","","0.0316","0.0271","","","0.0795","0.0955","","","","","","1.264","","","","has coordinates","170856","2020-10-21","18:00:00",""
"7118143","10.342","0.006","6.841","0.004","17.218","0.01","90","","102.267","0.015","90","","1190.4","1.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.0581","0.0533","","","0.1592","0.1682","","","","","","1.031","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118144","18.1094","0.0017","8.5397","0.0008","19.1583","0.0017","90","","105.39","0.005","90","","2856.6","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N4 O3 -","- C30 H46 N4 O3 -","- C120 H184 N16 O12 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.15","0.0853","","","0.2005","0.2749","","","","","","1.013","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118145","16.8579","0.0005","8.6583","0.0003","18.4879","0.0005","90","","111.416","0.0015","90","","2512.18","0.14","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N4 O3 -","- C26 H38 N4 O3 -","- C104 H152 N16 O12 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.0886","0.0556","","","0.1129","0.1276","","","","","","1.011","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118146","7.916","0.003","16.599","0.006","18.426","0.006","90","","94.92","0.006","90","","2412.2","1.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N3 Na O8 -","- C24 H30 N3 Na O8 -","- C96 H120 N12 Na4 O32 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.0442","0.0414","","","0.1099","0.114","","","","","","1.019","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118147","10.778","0.003","10.915","0.003","14.506","0.004","82.963","0.005","86.231","0.004","63.226","0.004","1512","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Py2PhO-_KOH+18-crown-6-ether","","- C26 H36 K N3 O10 -","- C26 H36 K N3 O10 -","- C52 H72 K2 N6 O20 -","2","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","0.78291","Synchrotron","","0.1756","0.0556","","","0.1199","0.1435","","","","","","0.965","","","","has coordinates,has disorder","170857","2020-10-21","18:00:00",""
"7118148","9.516","0.003","16.738","0.005","12.25","0.003","90","","107.8","0.008","90","","1857.8","0.9","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N5 O3 -","- C21 H21 N5 O3 -","- C84 H84 N20 O12 -","4","1","","Maeda, Hiromitsu; Fukui, Ayaka; Yamakado, Ryohei; Yasuda, Nobuhiro","Dipyrrolyphenol as a precursor of π-electronic anion that forms ion pairs with cations.","Chemical communications (Cambridge, England)","2015","51","99","17572","17575","10.1039/c5cc07493b","","","1.54187","CuKα","","0.0375","0.0329","","","0.0929","0.0946","","","","","","1.071","","","","has coordinates","170857","2020-10-21","18:00:00",""
"7118149","9.5769","0.0003","15.5585","0.0005","18.7701","0.0006","98.447","0.001","95.244","0.001","94.691","0.001","2741.97","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ALG-4-9","","","- C29 H36 Br O Si -","- C29 H36 Br O Si -","- C116 H144 Br4 O4 Si4 -","4","2","","Aurora Lopez; Alejandro Parra; Carlos Jarava-Barrera; Mariola Tortosa","Copper-catalyzed silylation of p-quinone methides: new entry to dibenzylic silanes","Chem.Commun.","2015","51","","17684","","10.1039/C5cc06653K","","","0.71073","","","0.1032","0.049","","","0.1227","0.1532","","","","","","1.052","","","","has coordinates","171416","2020-10-21","18:00:00",""
"7118150","13.6578","0.0004","13.6578","0.0004","25.5535","0.0007","90","","90","","90","","4766.6","0.2","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4(ReF6)] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Re -","- C46 H32 Co3 F6 N14 O2 Re -","- C184 H128 Co12 F24 N56 O8 Re4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0432","0.0299","","","0.0739","0.0819","","","","","","1.165","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118151","13.6527","0.0004","13.6527","0.0004","25.7947","0.0008","90","","90","","90","","4808","0.2","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4ZrF6] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Zr -","- C46 H32 Co3 F6 N14 O2 Zr -","- C184 H128 Co12 F24 N56 O8 Zr4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0853","0.0496","","","0.1128","0.1331","","","","","","1.113","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118152","13.6633","0.0012","13.6633","0.0012","25.701","0.002","90","","90","","90","","4798","0.7","200","2","200","2","","","","","","","no","7","P 4/n c c","-P 4a 2ac","130","catena-[Co3(dpa)4(SnF6)] DMF solvate","","","- C46 H46 Co3 F6 N14 O2 Sn -","- C46 H32 Co3 F6 N14 O2 Sn -","- C184 H128 Co12 F24 N56 O8 Sn4 -","4","","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","","0.71073","MoKα","","0.0649","0.0387","","","0.0972","0.1163","","","","","","1.052","","","","has coordinates,has disorder","171417","2020-10-21","18:00:00",""
"7118153","9.9941","0.0003","10.9876","0.0004","21.1474","0.0007","104.686","0.001","92.005","0.001","106.919","0.001","2134.23","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H43 F6 N P2 Re -","- C50 H43 F6 N P2 Re -","- C100 H86 F12 N2 P4 Re2 -","2","1","","Vladimir Bulicanu; Kasper S. Pedersen; Mathieu Rouzieres; Jesper Bendix; Pierre Dechambenoit; Rodolphe Clerac; Elizabeth A. Hillard","One-dimensional coordination polymers of [Co3(dpa)4]^2+^ and [MF6]^2-^ (M = ReIV, ZrIV and SnIV)","Chem.Commun.","2015","51","","17748","","10.1039/C5cc06704A","","x-ray","0.71073","MoKα","","0.0205","0.019","","","0.0439","0.0461","","","","","","1.0544","","","","has coordinates","171417","2020-10-21","18:00:00",""
"7118154","10.972","0.016","11.699","0.016","13.519","0.019","99.28","0.02","95.81","0.02","115.672","0.018","1515","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[CrII(N(TMS)2)2(py)2]","","- C22 H46 Cr N4 Si4 -","- C22 H46 Cr N4 Si4 -","- C44 H92 Cr2 N8 Si8 -","2","1","","Yi-Fei Deng; Tian Han; Zhenxing Wang; Zhongwen Ouyang; Bing Yin; Zhiping Zheng; J. Krzystek; Yan-Zhen Zheng","Uniaxial magnetic anisotropy of square-planar chromium(II) complexes revealed by magnetic and HF-EPR studies","Chem.Commun.","2015","51","","17688","","10.1039/C5cc07025B","","","0.71073","MoKα","","0.0538","0.0342","","","0.0841","0.0922","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118155","9.8511","0.0014","20.837","0.003","15.443","0.002","90","","99.5203","0.0017","90","","3126.3","0.8","123","2","123","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 F3 N O3 P Pt S Si -","- C29 H41 F3 N O3 P Pt S Si -","- C116 H164 F12 N4 O12 P4 Pt4 S4 Si4 -","4","1","","Jun Takaya; Shisei Ito; Hironori Nomoto; Narumasa Saito; Naohiro Kirai; Nobuharu Iwasawa","Fluorine-controlled C-H borylation of arenes catalyzed by a PSiN-pincer platinum complex","Chem.Commun.","2015","51","","17662","","10.1039/C5cc07263H","","","0.71075","MoKα","","0.0458","0.0402","","","0.0968","0.1021","","","","","","1.233","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118156","15.6925","0.0003","15.6925","0.0003","19.1379","0.0009","90","","90","","90","","4712.8","0.3","130","2","130","2","","","","","","","","5","I -4","I -4","82","","","","- C61.5 H64.5 N3.5 O13.5 Zn2 -","- C44 H25.9996 O10 Zn2 -","- C88 H51.9992 O20 Zn4 -","2","0.25","","Alexandr V. Vinogradov; Haldor Zaake-Hertling; Andrey S. Drozdov; Peter Lonnecke; Gulaim A. Seisenbaeva; Vadim G. Kessler; Vladimir V. Vinogradov; Evamarie Hey-Hawkins","Anomalous adsorption of biomolecules on a Zn-based metal-organic framework obtained via a facile room-temperature route","Chem.Commun.","2015","51","","17764","","10.1039/C5cc07808C","","","0.71073","MoKα","","0.0859","0.0592","","","0.1447","0.1603","","","","","","1.016","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118157","12.981","0.0003","13.4443","0.0003","17.5825","0.0004","90","","90","","90","","3068.51","0.12","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Ag F3 N2 O3 S -","- C28 H38 Ag F3 N2 O3 S -","- C112 H152 Ag4 F12 N8 O12 S4 -","4","1","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0306","0.0269","","","0.0552","0.0571","","","","","","1.031","","","","has coordinates","171421","2020-10-21","18:00:00",""
"7118158","20.2292","0.0006","16.3318","0.0004","20.2255","0.0007","90","","111.277","0.004","90","","6226.6","0.4","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H79 Ag2 Cl4 F3 N4 O3 S -","- C56.5 H79 Ag2 Cl4 F3 N4 O3 S -","- C226 H316 Ag8 Cl16 F12 N16 O12 S4 -","4","1","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0625","0.0418","","","0.0923","0.1037","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7118159","10.94396","0.00018","12.5589","0.0002","19.9805","0.0004","90","","90","","90","","2746.2","0.08","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Ag Br N2 -","- C27 H38 Ag Br N2 -","- C108 H152 Ag4 Br4 N8 -","4","0.5","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0435","0.0287","","","0.058","0.0644","","","","","","1.029","","","","has coordinates","171421","2020-10-21","18:00:00",""
"7118160","10.7195","0.0005","19.0287","0.0005","16.2788","0.0006","90","","106.154","0.004","90","","3189.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ag Cl2 I N2 -","- C28 H40 Ag Cl2 I N2 -","- C112 H160 Ag4 Cl8 I4 N8 -","4","1","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0507","0.0369","","","0.0633","0.0685","","","","","","1.046","","","","has coordinates","171421","2020-10-21","18:00:00",""
"7118178","14.8737","0.0004","14.8737","0.0004","24.3175","0.0008","90","","90","","120","","4658.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","[Li(DME)3]2[Th(C6H5)6]","","- C60 H90 Li2 O12 Th -","- C60 H90 Li2 O12 Th -","- C180 H270 Li6 O36 Th3 -","3","0.166667","","Pedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.","Synthesis, structure and bonding of hexaphenyl thorium(iv): observation of a non-octahedral structure.","Chemical communications (Cambridge, England)","2015","52","4","689","692","10.1039/c5cc08265j","","","0.71073","MoKα","","0.0451","0.0338","","","0.0655","0.07","","","","","","1.047","","","","has coordinates","171842","2020-10-21","18:00:00",""
"7118179","16.5641","0.001","16.7043","0.001","21.3854","0.0012","90","","108.682","0.001","90","","5605.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Li(12-crown-4)(THF)]2[Th(C6H5)6]","","- C60 H78 Li2 O10 Th -","- C60 H78 Li2 O10 Th -","- C240 H312 Li8 O40 Th4 -","4","1","","Pedrick, Elizabeth A.; Hrobárik, Peter; Seaman, Lani A.; Wu, Guang; Hayton, Trevor W.","Synthesis, structure and bonding of hexaphenyl thorium(iv): observation of a non-octahedral structure.","Chemical communications (Cambridge, England)","2015","52","4","689","692","10.1039/c5cc08265j","","","0.71073","MoKα","","0.0427","0.0297","","","0.0701","0.0756","","","","","","1.007","","","","has coordinates,has disorder","171842","2020-10-21","18:00:00",""
"7118218","5.6288","0.0011","12.578","0.003","41.669","0.008","90","","90","","90","","2950.1","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","0.71073","MoKα","","0.0777","0.0698","","","0.1496","0.1646","","","","","","1.001","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7118219","9.263","0.0012","12.8186","0.0016","22.369","0.003","90","","90","","90","","2656.1","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C144 H112 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","1.54187","CuKα","","0.0275","0.0269","","","0.0703","0.0707","","","","","","1.045","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7118220","5.5911","0.0018","13.004","0.004","40.623","0.013","90","","90","","90","","2953.6","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","0.71075","MoKα","","0.0574","0.0388","","","0.0641","0.0701","","","","","","0.931","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7121265","3.8744","0.0004","12.8898","0.0009","8.1167","0.0006","90","","98.965","0.008","90","","400.4","0.06","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C18 H16 N4 O4 -","2","1","","Ventsi Dyulgerov; Rosica P. Nikolova; Louiza T. Dimova; K. Kossev; Boris L. Shivachev","Solvothermal synthesis of theophylline and N,N-(ethane-1,2-diyl)diformamide co-crystals from DMF decomposition and N-formylation trough catalytic effect of 3-carboxyphenylboronic acid and cadmium acetate","Bulgarian Chemical Communications","2015","47","","311","","","","","0.71073","MoKα","","0.0828","0.0633","","","0.1644","0.1786","","","","","","1.068","","","","has coordinates","206366","2020-10-21","18:00:00",""
"7154021","6.0469","0.0002","9.1864","0.0003","9.4011","0.0003","110.41","0.002","96.98","0.002","92.353","0.002","483.85","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F N O -","- C11 H12 F N O -","- C22 H24 F2 N2 O2 -","2","1","","Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo","Short and efficient synthesis of fluorinated δ-lactams.","Organic & biomolecular chemistry","2015","13","3","717","728","10.1039/c4ob01547a","","","0.71073","MoKα","","0.0396","0.0349","","","0.0883","0.0921","","","","","","1.086","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154133","10.084","0.002","10.408","0.002","26.571","0.006","90","","90","","90","","2788.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O -","- C32 H36 Cl N O -","- C128 H144 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0562","0.0531","","","0.1128","0.1149","","","","","","1.138","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154134","9.779","0.003","10.66","0.004","26.314","0.008","90","","90","","90","","2743.1","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4ge","","- C30 H40 Cl N O -","- C30 H40 Cl N O -","- C120 H160 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0445","0.0424","","","0.098","0.0991","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154141","10.4383","0.0004","16.5706","0.0007","18.8976","0.0009","86.399","0.004","86.024","0.004","73.657","0.004","3125.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F6 I N3 O3.5 P -","- C29 H30 F6 I N3 O3.5 P -","- C116 H120 F24 I4 N12 O14 P4 -","4","2","","Brazier, John B.; Gibbs, Timothy J. K.; Rowley, Julian H.; Samulis, Leopold; Yau, Sze Chak; Kennedy, Alan R.; Platts, James A.; Tomkinson, Nicholas C. O.","Improving catalyst activity in secondary amine catalysed transformations.","Organic & biomolecular chemistry","2015","13","1","133","141","10.1039/c4ob01916d","","","1.5418","CuKα","","0.0735","0.0564","","","0.1354","0.1501","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154142","12.174","0.002","21.206","0.004","14.57","0.003","90","","92.65","0.03","90","","3757.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.25 H32.5 Cl0.5 F6 O6 -","- C43.25 H32.5 Cl0.5 F6 O6 -","- C173 H130 Cl2 F24 O24 -","4","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1068","0.0613","","","0.1365","0.159","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154143","10.53","0.002","13.602","0.003","13.65","0.003","65.69","0.03","80.28","0.03","81.84","0.03","1750.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O10 -","- C37 H40 N2 O10 -","- C74 H80 N4 O20 -","2","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1203","0.0494","","","0.0929","0.1116","","","","","","1.006","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154147","9.7902","0.0006","11.9074","0.0007","13.2668","0.0007","77.203","0.004","73.176","0.004","71.42","0.004","1388.92","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Br Cl2 N O6 S -","- C23 H34 Br Cl2 N O6 S -","- C46 H68 Br2 Cl4 N2 O12 S2 -","2","1","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0852","0.0743","","","0.2204","0.2331","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154148","8.3521","0.0003","14.3086","0.0006","23.7793","0.0007","90","","97.573","0.002","90","","2817","0.18","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H33 Br N3 O6 S -","- C28 H33 Br N3 O6 S -","- C112 H132 Br4 N12 O24 S4 -","4","2","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0624","0.0485","","","0.1467","0.1526","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154150","24.9085","0.0009","7.8916","0.0003","16.9244","0.0007","90","","98.392","0.002","90","","3291.2","0.2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","LCLT517B","","","- C27 H56 O6 Si3 -","- C27 H56 O6 Si3 -","- C108 H224 O24 Si12 -","4","1","","Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción","Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.","Organic & biomolecular chemistry","2015","13","3","706","716","10.1039/c4ob01782j","","x-ray","0.71073","MoKα","","0.0704","0.0483","","","0.0857","0.0958","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154158","6.5036","0.0006","12.9729","0.0011","17.9702","0.0016","90","","90","","90","","1516.2","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl2 N5 -","- C15 H11 Cl2 N5 -","- C60 H44 Cl8 N20 -","4","1","","Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao","Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.","Organic & biomolecular chemistry","2015","13","2","477","486","10.1039/c4ob01758g","","","0.71073","MoKα","","0.0424","0.034","","","0.0811","0.0847","","","","","","0.983","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154161","8.921","0.004","10.42","0.02","15.804","0.008","81.48","0.09","73.79","0.04","87.26","0.09","1395","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 Cl6 N7 -","- C25 H17 Cl6 N7 -","- C50 H34 Cl12 N14 -","2","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MOKa","","0.2181","0.0475","","","0.1125","0.1555","","","","","","0.819","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154162","7.1928","0.0003","13.3215","0.0006","32.7007","0.0016","90","","90","","90","","3133.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z. Fan","","- C39 H26 Cl2 N2 O -","- C39 H26 Cl2 N2 O -","- C156 H104 Cl8 N8 O4 -","4","1","","Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao","Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.","Organic & biomolecular chemistry","2015","13","2","539","548","10.1039/c4ob02061h","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1151","","","","","","1.023","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154163","9.9757","0.0003","5.76438","0.00017","22.7227","0.0007","90","","91.835","0.003","90","","1305.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.7107","MoKα","","0.0623","0.0484","","","0.1136","0.1209","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154164","5.8434","0.0017","10.203","0.003","22.194","0.006","90","","94.84","0.005","90","","1318.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F N2 -","- C16 H13 F N2 -","- C64 H52 F4 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.71073","MoKα","","0.0514","0.0393","","","0.1023","0.1112","","","","","","1.063","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154165","18.378","0.003","8.8145","0.0003","14.806","0.002","90","","130.63","0.03","90","","1820.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5-methyl-1H-inden-1-one","","- C20 H12 Cl4 O2 -","- C20 H12 Cl4 O2 -","- C80 H48 Cl16 O8 -","4","0.5","","Raveendra Babu, Kaki; Khan, Faiz Ahmed","A domino reaction of tetrahalo-7,7-dimethoxybicyclo[2.2.1]heptenyl alcohols leading to indenones and a de novo synthesis of ninhydrin derivatives.","Organic & biomolecular chemistry","2015","13","1","299","308","10.1039/c4ob01977f","","","1.54184","CuKα","","0.0559","0.0465","","","0.1308","0.1428","","","","","","1.036","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154166","11.546","0.0002","12.36","0.0001","12.765","0.0002","101.747","0.001","113.392","0.002","95.129","0.001","1607.29","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B F10 P -","- C35 H26 B F10 P -","- C70 H52 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0448","0.0401","","","0.1025","0.1067","","","","","","1.026","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154167","23.2576","0.0005","18.1844","0.0005","16.9234","0.0005","90","","111.378","0.002","90","","6664.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H23 B Cl F10 P -","- C37.5 H23 B Cl F10 P -","- C300 H184 B8 Cl8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0563","0.0515","","","0.1358","0.1402","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154168","22.3123","0.0003","15.8067","0.0002","23.2517","0.0004","90","","106.554","0.001","90","","7860.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 B F10 P -","- C41 H38 B F10 P -","- C328 H304 B8 F80 P8 -","8","2","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.117","0.0734","","","0.1616","0.1822","","","","","","1.037","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154169","21.8974","0.0005","20.212","0.0005","20.4155","0.0007","90","","108.587","0.001","90","","8564.4","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 B F10 P -","- C43 H34 B F10 P -","- C344 H272 B8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0565","0.045","","","0.1235","0.1309","","","","","","1.082","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154170","10.1386","0.0002","10.9523","0.0002","16.007","0.0004","94.704","0.001","90.06","0.001","104.481","0.002","1714.74","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 B F10 P -","- C38 H30 B F10 P -","- C76 H60 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.0557","0.0499","","","0.1236","0.1291","","","","","","1.049","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154171","12.0744","0.0003","28.1047","0.0006","11.3117","0.0002","90","","99.395","0.001","90","","3787.11","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B F10 P -","- C40 H26 B F10 P -","- C160 H104 B4 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.091","0.0739","","","0.1972","0.2118","","","","","","1.063","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154172","20.771","0.0009","10.2846","0.0005","18.6572","0.0009","90","","120.235","0.004","90","","3443.4","0.3","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H28 B Cl2 F10 P -","- C36 H28 B Cl2 F10 P -","- C144 H112 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0678","0.0546","","","0.1256","0.1374","","","","","","1.052","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154173","16.2406","0.0005","10.2753","0.0003","21.4263","0.0008","90","","102.915","0.002","90","","3485.1","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 B Cl2 F10 P -","- C38 H24 B Cl2 F10 P -","- C152 H96 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0741","0.0504","","","0.1215","0.137","","","","","","1.037","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154174","8.6089","0.0017","8.8898","0.0018","15.632","0.003","98.35","0.03","96.13","0.03","104.16","0.03","1135","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H4.5 Cl0.25 F0.75 N0.5 O1.25 S0.5 -","- C20 H18 Cl F3 N2 O5 S2 -","- C40 H36 Cl2 F6 N4 O10 S4 -","2","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0794","","","0.2084","0.2177","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154175","13.927","0.003","10.771","0.002","24.361","0.005","90","","93.49","0.03","90","","3647.6","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F6 N2 O P -","- C18 H15 F6 N2 O P -","- C144 H120 F48 N16 O8 P8 -","8","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0491","","","0.1107","0.1165","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154176","15.338","0.003","10.04","0.002","14.189","0.003","90","","94.34","0.03","90","","2178.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O2 P S -","- C19 H19 F6 N2 O2 P S -","- C76 H76 F24 N8 O8 P4 S4 -","4","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0776","","","0.2007","0.2033","","","","","","1.172","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154177","10.516","0.003","16.68","0.004","27.091","0.006","90","","90","","90","","4752","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C248 H184 N8 O32 -","8","1","","Liu, Xiong-Li; Pan, Bo-Wen; Zhang, Wen-Hui; Yang, Chao; Yang, Jun; Shi, Yang; Feng, Ting-Ting; Zhou, Ying; Yuan, Wei-Cheng","A highly efficient and eco-friendly method for the synthesis of 1,3-indandione ring-fused 3-oxindoles bearing two contiguous quaternary stereocenters via an aldol reaction in aqueous media.","Organic & biomolecular chemistry","2015","13","2","601","611","10.1039/c4ob02103g","","","0.71073","MoKα","","0.0753","0.0513","","","0.1302","0.147","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154178","10.736","0.0003","15.9895","0.0003","11.2155","0.0003","90","","107.652","0.001","90","","1834.64","0.08","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0307","0.0291","","","0.0825","0.084","","","","","","1","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154179","9.3912","0.0005","10.6576","0.0004","18.9928","0.0008","90","","94.82","0.002","90","","1894.22","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0326","0.0304","","","0.0832","0.0854","","","","","","0.998","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154180","5.6153","0.0001","14.7482","0.0003","16.9257","0.0004","90","","90","","90","","1401.71","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-(-)-4,5-Dihydroxy-3-[(phenylhydrazyl)methyl]cyclopent-2-enone acetonide","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Łukasik, Beata; Mikołajczyk, Marian; Bujacz, Grzegorz; Żurawiński, Remigiusz","Synthesis and the absolute configuration of both enantiomers of 4,5-dihydroxy-3-(formyl)cyclopent-2-enone acetonide as a new chiral building block for prostanoid synthesis.","Organic & biomolecular chemistry","2015","13","3","807","816","10.1039/c4ob01535e","","","1.5418","CuKα","","0.0615","0.0566","","","0.1588","0.1745","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154181","53.5172","0.0016","17.0124","0.0006","7.5768","0.0002","90","","90","","90","","6898.3","0.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-{2-[(2,4-Dimethylphenyl)amino]-5-[(2-hydroxyphenyl)carbonyl]furan-3-yl}ethan-1-one","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C336 H304 N16 O64 -","16","","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0575","0.0422","","","0.0819","0.0886","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154182","9.702","0.0002","6.8943","0.0001","16.0179","0.0003","90","","91.201","0.001","90","","1071.18","0.03","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(4-Chlorophenyl)-5-[(2-hydroxy-4-methoxyphenyl)carbonyl]-2-methylfuran-3-carboxamide * dimethylsulfoxide","","- C22 H22 Cl N O6 S -","- C22 H23 Cl N O6 S -","- C44 H46 Cl2 N2 O12 S2 -","2","0.5","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0465","0.0382","","","0.1038","0.1126","","","","","","1.025","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154183","4.9114","0.0004","9.9314","0.0007","36.687","0.003","90","","90","","90","","1789.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzoyl-2-(phenylamino)-9<i>H</i>-furo[3,2-<i>b</i>]chromen-9-one","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0937","0.048","","","0.0925","0.1105","","","","","","1.01","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154191","14.6","0.003","15.398","0.003","15.703","0.004","99.409","0.01","90.878","0.012","117.283","0.009","3078.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H87 N9 O24.5 S3 -","- C48 H87 N9 O24.33 S3 -","- C96 H174 N18 O48.66 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; André, Vânia; Teresa Duarte, M.","Sulfate recognition by a hexaaza cryptand receptor.","Organic & biomolecular chemistry","2015","13","3","834","842","10.1039/c4ob02027h","","","0.71069","MoKα","","0.0781","0.0609","","","0.1799","0.1968","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154193","13.141","0.005","13.962","0.005","16.15","0.006","66.89","0.03","74.79","0.04","89.89","0.03","2612.8","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S2 -","- C28 H28 N2 O4 S2 -","- C112 H112 N8 O16 S8 -","4","2","","Tian, Yu; Wang, Yuanhao; Shang, Hai; Xu, Xudong; Tang, Yefeng","Rhodium(II)-catalyzed intramolecular formal [4 + 3] cycloadditions of dienyltriazoles: rapid access to fused 2,5-dihydroazepines.","Organic & biomolecular chemistry","2015","13","2","612","619","10.1039/c4ob01910e","","","0.71073","MoKα","","0.1566","0.0533","","","0.088","0.1148","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154194","12.2471","0.0006","5.6271","0.0003","13.2223","0.0006","90","","112.39","0.002","90","","842.53","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","hydroxy(3-nitrophenyl)methyl)phosphinate","","","- C15 H19 N2 O5 P -","- C15 H19 N2 O5 P -","- C30 H38 N4 O10 P2 -","2","1","","Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.","Determination of the absolute configuration of phosphinic analogues of glutamate.","Organic & biomolecular chemistry","2015","13","4","1106","1112","10.1039/c4ob01960a","","","0.71073","MoKα","","0.0576","0.0351","","","0.087","0.1123","","","","","","1.106","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154195","7.29191","0.00019","16.5352","0.0004","16.003","0.0004","90","","99.499","0.003","90","","1903.08","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 O12 -","- C42 H38 O12 -","- C84 H76 O24 -","2","1","","Huang, Xin; Fu, Chunling; Ma, Shengming","Palladium(0)-catalyzed synthesis of cyclic glucosides.","Organic & biomolecular chemistry","2015","13","1","248","251","10.1039/c4ob01975j","","","1.54184","CuKα","","0.0383","0.0354","","","0.0945","0.0981","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154196","17.158","0.003","6.001","0.0012","15.681","0.003","90","","90","","90","","1614.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Guo, Jiajia; Yu, Shouyun","Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.","Organic & biomolecular chemistry","2015","13","4","1179","1186","10.1039/c4ob02227k","","","0.71073","MoKα","","0.1486","0.0643","","","0.1009","0.1261","","","","","","1.001","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154197","8.5989","0.0006","16.1254","0.0013","15.4619","0.001","90","","95.125","0.006","90","","2135.4","0.3","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl F2 N O2 -","- C25 H20 Cl F2 N O2 -","- C100 H80 Cl4 F8 N4 O8 -","4","1","","Urvashi, ?; Rastogi, Gaurav K.; Ginotra, Sandeep K.; Agarwal, Alka; Tandon, Vibha","An expedient approach to 1,2-dihydroisoquinoline derivatives via cobalt catalysed 6-endo dig cyclization followed by Mannich condensation of o-alkynylarylaldimines.","Organic & biomolecular chemistry","2015","13","4","1000","1007","10.1039/c4ob02036g","","","0.71073","MoKα","","0.0708","0.0504","","","0.1069","0.1168","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154198","9.6382","0.0007","12.519","0.0009","16.1542","0.0012","90","","101.439","0.002","90","","1910.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0483","0.0374","","","0.098","0.11","","","","","","1.15","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154199","5.518","0.002","26.082","0.01","8.581","0.005","90","","94.23","0.04","90","","1231.6","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0677","0.0522","","","0.14","0.1497","","","","","","1.144","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154200","17.6306","0.0004","6.5284","0.0002","18.1875","0.0004","90","","96.701","0.001","90","","2079.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl O5 -","- C21 H27 Cl O5 -","- C84 H108 Cl4 O20 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0484","0.0395","","","0.0988","0.1038","","","","","","1.078","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154201","17.1143","0.0004","20.8803","0.0006","26.8416","0.0006","90","","90","","90","","9591.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hw_c_17_2","5","","- C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6 -","- C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6 -","- C280.608 H324.608 Cl61.824 F6 N48 O76 S24 -","4","1","","Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng","The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.","Organic & biomolecular chemistry","2015","13","3","672","676","10.1039/c4ob02232g","","","1.54178","CuKα","","0.1073","0.0677","","","0.1595","0.1828","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154202","15.3554","0.0006","5.1394","0.0003","19.8167","0.0011","90","0.005","110.249","0.003","90","0.004","1467.23","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 N2 S5 -","- C14 H6 N2 S5 -","- C56 H24 N8 S20 -","4","1","","Pop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; Hauser, Andreas; Avarvari, Narcis","Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivatives.","Organic & biomolecular chemistry","2015","13","4","1040","1047","10.1039/c4ob02100b","","","0.71073","MoKα","","0.0867","0.0424","","","0.0723","0.0844","","","","","","1.053","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154203","6.2637","0.0004","9.6026","0.0006","11.1057","0.0008","78.235","0.004","81.016","0.004","74.565","0.004","626.68","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Fluorophenyl)-9<i>H</i>-pyrido[2,3-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C34 H22 F2 N4 -","2","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.1111","0.0596","","","0.1181","0.1387","","","","","","1.031","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154204","13.9224","0.0007","11.0347","0.0005","16.4227","0.0009","90","","94.077","0.002","90","","2516.6","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-Fluorophenyl)-5<i>H</i>-pyrido[3,2-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C136 H88 F8 N16 -","8","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.0769","0.0432","","","0.101","0.1155","","","","","","1.041","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154205","7.3662","0.0015","12.232","0.002","12.351","0.003","72.49","0.03","75.1","0.03","88.58","0.03","1023.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 O -","- C25 H16 N4 O -","- C50 H32 N8 O2 -","2","1","","Zhu, Shifa; Huang, Xiaobing; Zhao, Tian-Qi; Ma, Tongmei; Jiang, Huanfeng","Metal-catalyzed formation of 1,3-cyclohexadienes: a catalyst-dependent reaction.","Organic & biomolecular chemistry","2015","13","4","1225","1233","10.1039/c4ob01922a","","","0.71073","MoKα","","0.1181","0.0419","","","0.112","0.1693","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154206","8.9089","0.0003","14.1642","0.0004","19.4386","0.0006","95.371","0.001","96.23","0.001","101.484","0.001","2372.84","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H55 N5 -","- C62 H55 N5 -","- C124 H110 N10 -","2","1","","Hernández-Alonso, D; Zankowski, S.; Adriaenssens, L.; Ballester, P.","Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies.","Organic & biomolecular chemistry","2015","13","4","1022","1029","10.1039/c4ob02108h","","","0.71073","MoKα","","0.0547","0.0452","","","0.1235","0.1357","","","","","","1.05","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154207","12.2582","0.0011","16.6588","0.0013","20.6422","0.0017","90","","101.775","0.003","90","","4126.6","0.6","122","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H100 N12 O20 S6 -","- C66 H100 N12 O20 S6 -","- C132 H200 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Nielsen, Bjarne E.; Milhøj, Birgitte O; Sauer, Stephan P. A.; Pittelkow, Michael","Anion binding by biotin[6]uril in water.","Organic & biomolecular chemistry","2015","13","2","369","373","10.1039/c4ob02211d","","","0.71073","MoKα","","0.1368","0.0804","","","0.2055","0.2307","","","","","","0.969","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154208","19.221","0.003","19.221","0.003","26.996","0.004","90","","90","","90","","9974","3","123","2","123","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C113 H99 N9 O10 -","- C113 H99 N9 O10 -","- C452 H396 N36 O40 -","4","0.25","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.1074","0.0984","","","0.2778","0.2863","","","","","","1.072","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154209","25.752","0.006","14.426","0.003","19.859","0.005","90","","123.395","0.002","90","","6160","2","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H52 I4 O8 -","- C48 H52 I4 O8 -","- C192 H208 I16 O32 -","4","0.5","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.0628","0.0544","","","0.1477","0.1521","","","","","","1.086","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154210","9.4466","0.0014","12.186","0.0018","18.704","0.003","90","","90","","90","","2153.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Alcaide, Benito; Almendros, Pedro; Aragoncillo, Cristina; Callejo, Ricardo; Pilar Ruiz, M.; Rosario Torres, M.","Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications.","Organic & biomolecular chemistry","2015","13","5","1387","1394","10.1039/c4ob02289k","","","0.71073","MoKα","","0.1557","0.0526","","","0.128","0.1747","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154211","16.611","0.0016","14.92","0.002","12.644","0.002","90","","111.924","0.008","90","","2907","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Br2 N6 O7 -","- C63 H66 Br2 N6 O7 -","- C126 H132 Br4 N12 O14 -","2","0.5","","Xu, Xiao-Liang; Yu, Chun-Lei; Chen, Wen; Li, Ying-Chao; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong","Synthesis and antitumor activity of novel 2-substituted indoline imidazolium salt derivatives.","Organic & biomolecular chemistry","2015","13","5","1550","1557","10.1039/c4ob02385d","","","0.71073","MoKα","","0.1348","0.057","","","0.1446","0.1858","","","","","","0.968","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154212","10.018","0.002","13.304","0.003","13.868","0.003","90","","105.637","0.003","90","","1779.9","0.7","293","","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O6 P -","- C16 H21 N2 O6 P -","- C64 H84 N8 O24 P4 -","4","1","","Ahamad, Shakir; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Domino reaction involving the Bestmann-Ohira reagent and α,β-unsaturated aldehydes: efficient synthesis of functionalized pyrazoles.","Organic & biomolecular chemistry","2015","13","5","1492","1499","10.1039/c4ob02365j","","","0.71075","MoKα","","0.0338","0.0301","","","0.0806","0.0827","","","","","","1.084","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154213","7.1637","0.0007","26.057","0.003","11.5507","0.0011","90","","95.513","0.002","90","","2146.1","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Kamal, Ahmed; Rahim, Abdul; Riyaz, Sd; Poornachandra, Y.; Balakrishna, Moku; Kumar, C. Ganesh; Hussaini, Syed Mohammed Ali; Sridhar, B.; Machiraju, Pavan Kumar","Regioselective synthesis, antimicrobial evaluation and theoretical studies of 2-styryl quinolines.","Organic & biomolecular chemistry","2015","13","5","1347","1357","10.1039/c4ob02277g","","","0.71073","MoKα","","0.1018","0.0826","","","0.1581","0.1668","","","","","","1.25","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154214","14.5655","0.0005","8.3351","0.0003","26.0998","0.001","90","","90","","90","","3168.6","0.2","223.1","0.3","223.1","0.3","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","Thiaplakortone A hydrochoride dihydrate","","","- C12 H16 Cl N3 O6 S -","- C12 H16 Cl N3 O6 S -","- C96 H128 Cl8 N24 O48 S8 -","8","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0682","0.0516","","","0.114","0.1221","","","","","","1.109","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154215","10.0722","0.0006","24.9481","0.0018","7.5588","0.0005","90","","99.053","0.006","90","","1875.7","0.2","199.9","0.3","199.9","0.3","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Thiaplakortone A Propylamide DMSO","","","- C17 H21 N3 O6 S2 -","- C17 H21 N3 O6 S2 -","- C68 H84 N12 O24 S8 -","4","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0854","0.0534","","","0.1063","0.1246","","","","","","1.056","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154216","9.019","0.005","9.387","0.005","9.84","0.005","103.834","0.01","111.51","0.011","104.812","0.011","696.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 B F2 N2 S -","- C15 H11 B F2 N2 S -","- C30 H22 B2 F4 N4 S2 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0747","0.0462","","","0.1386","0.1609","","","","","","1.024","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154217","9.144","0.004","9.856","0.004","11.616","0.004","83.242","0.006","75.289","0.006","68.965","0.007","944.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S2 -","- C21 H15 B F2 N2 S2 -","- C42 H30 B2 F4 N4 S4 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.068","0.041","","","0.1088","0.1382","","","","","","0.747","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154218","9.462","0.003","12.722","0.004","20.648","0.006","90","","99.442","0.006","90","","2451.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 N2 S3 -","- C27 H19 B F2 N2 S3 -","- C108 H76 B4 F8 N8 S12 -","4","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0858","0.0547","","","0.1616","0.1857","","","","","","1.164","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154219","9.751","0.005","18.905","0.005","16.646","0.005","90","0.005","92.408","0.005","90","0.005","3066","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","","Saunthwal, Rakesh K.; Patel, Monika; Danodia, Abhinandan K.; Verma, Akhilesh K.","Pd-catalyzed Heck-conjoined amidation and concomitant chemoselective Michael-addition: an efficient tandem approach to highly functionalized tetrahydroquinazolines from o-haloanilines.","Organic & biomolecular chemistry","2015","13","5","1521","1530","10.1039/c4ob02286f","","","0.71073","MoKα","","0.0602","0.0418","","","0.0958","0.1018","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154220","9.095","0.004","11.415","0.004","17.22","0.006","90","","90","","90","","1787.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Cheng, Jin-Tang; Chen, Xiang-Yu; Ye, Song","N-heterocyclic carbene-catalyzed cyclocondensation of 2-aryl carboxylic acids and enones: highly enantioselective synthesis of δ-lactones.","Organic & biomolecular chemistry","2015","13","5","1313","1316","10.1039/c4ob02330g","","","1.54187","CuKα","","0.0392","0.029","","","0.0634","0.074","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154221","25.278","0.0011","7.9874","0.0003","14.5933","0.0005","90","","94.398","0.004","90","","2937.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O1.5 P -","- C17 H18 O1.5 P -","- C136 H144 O12 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0588","0.0437","","","0.094","0.1023","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154222","9.0477","0.0002","17.5321","0.0004","9.9229","0.0002","90","","93.056","0.002","90","","1571.78","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O P -","- C20 H21 O P -","- C80 H84 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0465","0.0385","","","0.0954","0.1021","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154223","20.4116","0.0008","10.1465","0.0004","15.7185","0.0008","90","","108.406","0.005","90","","3088.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br O P -","- C17 H16 Br O P -","- C136 H128 Br8 O8 P8 -","8","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0743","0.0461","","","0.1061","0.1234","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154224","11.56214","0.0001","11.41592","0.0001","21.7492","0.0002","90","","100.089","0.0009","90","","2826.34","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 P2 -","- C34 H32 O2 P2 -","- C136 H128 O8 P8 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0431","0.0382","","","0.0891","0.0929","","","","","","1.04","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154225","35.515","0.002","14.5644","0.0007","5.7956","0.0004","90","","90","","90","","2997.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 O2 P -","- C17 H19 O2 P -","- C136 H152 O16 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0804","0.0679","","","0.1723","0.1799","","","","","","1.122","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154226","8.32","0.0004","8.3517","0.0005","11.5876","0.0006","96.038","0.004","90.854","0.004","100.324","0.005","787.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Br O2 P -","- C17 H18 Br O2 P -","- C34 H36 Br2 O4 P2 -","2","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0319","0.0262","","","0.0569","0.059","","","","","","1.055","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154227","9.58114","0.00014","17.273","0.0002","11.63272","0.00016","90","","98.4889","0.0014","90","","1904.07","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O2 P -","- C23 H23 O2 P -","- C92 H92 O8 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0363","0.0335","","","0.0868","0.0892","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154228","10.8596","0.0004","17.6855","0.0006","18.0481","0.0007","63.547","0.004","75.76","0.003","89.15","0.003","2990","0.2","58","60","58","60","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 O4.5 P2 -","- C34 H37 O4.5 P2 -","- C136 H148 O18 P8 -","4","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.71073","MoKα","","0.0665","0.048","","","0.1151","0.1257","","","","","","1.012","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154229","17.3691","0.0011","11.8081","0.0008","17.9776","0.0013","90","","118.401","0.001","90","","3243.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Cl N12 S2 -","- C27 H45 Cl N12 S2 -","- C108 H180 Cl4 N48 S8 -","4","1","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.0378","0.0314","","","0.0816","0.0854","","","","","","1.047","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154230","10.391","0.002","16.944","0.004","18.9","0.004","107.255","0.002","90.906","0.002","96.74","0.002","3151.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl N12 O0.5 S2 -","- C26 H35 Cl N12 O0.5 S2 -","- C104 H140 Cl4 N48 O2 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.6889","Synchrotron","","0.1459","0.0832","","","0.2143","0.2721","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154231","10.1456","0.0007","15.6738","0.0011","19.0361","0.0013","91.48","0.005","97.78","0.005","94.128","0.005","2989.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl N13 S2 -","- C25 H36 Cl N13 S2 -","- C100 H144 Cl4 N52 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.1201","0.0797","","","0.2159","0.2484","","","","","","1.025","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154232","12.002","0.0009","14.6553","0.001","15.1609","0.0013","79.909","0.006","70.047","0.007","81.089","0.006","2454.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Cl6 N6 Ni S -","- C56 H36 Cl6 N6 Ni S -","- C112 H72 Cl12 N12 Ni2 S2 -","2","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0964","0.0844","","","0.2479","0.2611","","","","","","1.021","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154233","13.3636","0.0013","29.0621","0.0018","12.7286","0.0011","90","","116.573","0.012","90","","4421.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Cl3 N6 Ni S -","- C54 H33 Cl3 N6 Ni S -","- C216 H132 Cl12 N24 Ni4 S4 -","4","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0894","0.0776","","","0.1907","0.1978","","","","","","1.141","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154234","7.4058","0.0006","12.3833","0.0012","18.9412","0.0018","90","","90","","90","","1737.1","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.04","0.0352","","","0.0934","0.0978","","","","","","1.043","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154235","7.8797","0.0017","12.465","0.003","25.404","0.004","90","","90","","90","","2495.2","0.9","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C100 H116 Br4 N8 O16 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.0794","0.047","","","0.0948","0.1078","","","","","","0.989","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154236","10.0269","0.0003","11.0127","0.0003","19.1212","0.0005","100.996","0.002","90.025","0.002","90.667","0.001","2072.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","2","","Priya, Gowri; Kotmale, Amol S.; Chakravarty, Debamitra; Puranik, Vedavati G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational modulation of peptides using β-amino benzenesulfonic acid ((S)Ant).","Organic & biomolecular chemistry","2015","13","7","2087","2091","10.1039/c4ob02421d","","","0.71073","MoKα","","0.0487","0.036","","","0.0829","0.0893","","","","","","1.015","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154237","5.83","0.003","9.556","0.004","31.119","0.014","90","","90","","90","","1733.7","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","1","","Jana, Anupam; Mondal, Sujit; Ghosh, Subrata","Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.","Organic & biomolecular chemistry","2015","13","6","1846","1859","10.1039/c4ob02182g","","","0.71073","MoKα","","0.1106","0.0596","","","0.1321","0.1866","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154238","26.4067","0.0019","8.6803","0.0006","13.9116","0.001","90","","97.632","0.003","90","","3160.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Xie, Yuanwei; Que, Yonglei; Li, Tuanjie; Zhu, Ling; Yu, Chenxia; Yao, Changsheng","N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole.","Organic & biomolecular chemistry","2015","13","6","1829","1835","10.1039/c4ob01706d","","","0.71073","MoKα","","0.0498","0.0422","","","0.1178","0.1292","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154239","8.1644","0.0009","10.198","0.0011","21.107","0.002","90","","101.151","0.001","90","","1724.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Mao, Dan; Tang, Jun; Wang, Wenbo; Liu, Xin; Wu, Shengying; Yu, Jianjun; Wang, Limin","A Sc(OTf)3-catalyzed cascade reaction of o-aminoacetophenone with methanamine: construction of dibenzo[b,h][1,6]naphthyridine derivatives.","Organic & biomolecular chemistry","2015","13","7","2122","2128","10.1039/c4ob02220c","","","0.71073","MoKα","","0.07","0.0557","","","0.1587","0.1697","","","","","","1.095","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154240","7.5151","0.0002","8.3328","0.0002","13.0372","0.0004","88.341","0.002","76.984","0.002","67.407","0.001","732.89","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)malonate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","","Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.","A microwave-assisted multicomponent synthesis of substituted 3,4-dihydroquinazolinones.","Organic & biomolecular chemistry","2015","13","7","2044","2054","10.1039/c4ob02417f","","","0.71073","MoKα","","0.055","0.0447","","","0.1104","0.1175","","","","","","1.029","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154241","8.8818","0.0003","16.2625","0.0006","26.4923","0.0009","97.863","0.003","90.585","0.003","105.42","0.003","3649.8","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C128 H142 Au6 Cl4 N18 O30 P6 -","2","1","","Moro, Artur J.; Rome, Bertrand; Aguiló, Elisabet; Arcau, Julià; Puttreddy, Rakesh; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura","A coumarin based gold(i)-alkynyl complex: a new class of supramolecular hydrogelators.","Organic & biomolecular chemistry","2015","13","7","2026","2033","10.1039/c4ob02077d","","x-ray","1.54184","CuKα","","0.0492","0.0415","","","0.11","0.114","","","","","","1.036","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154242","18.306","0.004","5.603","0.0011","16.578","0.003","90","","101.41","0.03","90","","1666.8","0.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(Z)-4-(1-Fluoro-2-phenylprop-1-en-1-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole","","- C20 H20 F N3 -","- C20 H20 F N3 -","- C80 H80 F4 N12 -","4","1","","Kumar, Rakesh; Singh, Govindra; Todaro, Louis J.; Yang, Lijia; Zajc, Barbara","E- or Z-Selective synthesis of 4-fluorovinyl-1,2,3-triazoles with fluorinated second-generation Julia-Kocienski reagents.","Organic & biomolecular chemistry","2015","13","5","1536","1549","10.1039/c4ob02179g","","","0.71073","MoKα","","0.1243","0.061","","","0.1177","0.1395","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154243","11.6216","0.0006","20.8276","0.0009","11.8949","0.0007","90","","96.3419","0.0017","90","","2861.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1',1''-dimethyl-4'-(4-methylphenyl)-5''-[(4-methylphenyl)methylidene]-dispiro[3H-indole-3,2'-pyrrolidine-3',3''-piperidine]-2(1H),4''-dione","","- C32 H32 Cl N3 O2 -","- C32 H32 Cl N3 O2 -","- C128 H128 Cl4 N12 O8 -","4","1","","Girgis, Adel S.; Panda, Siva S.; Farag, I. S. Ahmed; El-Shabiny, A M; Moustafa, A. M.; Ismail, Nasser S. M.; Pillai, Girinath G.; Panda, Chandramukhi S.; Hall, C. Dennis; Katritzky, Alan R.","Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids.","Organic & biomolecular chemistry","2015","13","6","1741","1753","10.1039/c4ob02149e","","","0.71073","MoKα","","0.3533","0.0685","","0.2459","0.1331","0.1331","","","","","","1.0301","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154244","10.7927","0.0007","11.6842","0.0008","12.384","0.001","81.436","0.005","87.887","0.005","69.366","0.005","1444.99","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","Mo-Kα","","0.151","0.051","","0.239","","0.07","","","4.197","","","1.161","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154245","9.8087","0.0018","6.9137","0.0012","20.582","0.004","90","","97.156","0.005","90","","1384.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.1575","0.0588","","","0.1137","0.1432","","","","","","1.062","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154246","7.8484","0.0002","19.3484","0.0004","17.9841","0.0004","90","","93.426","0.001","90","","2726.08","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.0873","0.0598","","","0.1616","0.1829","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154247","14.1867","0.0012","12.1288","0.001","34.654","0.003","90","0.004","92.316","0.004","90","0.004","5958","0.9","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H40.5 N2.5 O4.5 S -","- C30 H40.5 N2.5 O4.5 S -","- C240 H324 N20 O36 S8 -","8","2","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.064","","","","0.239","","","","","","0.92","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154248","27.834","0.01","8.119","0.003","8.839","0.003","90","","90","","90","","1997.5","1.2","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0692","","","","0.1792","","","","","","1.124","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154249","10.077","0.003","14.486","0.005","12.738","0.004","90","","91.567","0.009","90","","1858.7","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl N O2 -","- C21 H24 Cl N O2 -","- C84 H96 Cl4 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0557","","","","0.148","","","","","","1.042","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154250","13.7407","0.0018","15.432","0.002","24.564","0.003","90","","90","","90","","5208.7","1.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H30 O9 -","- C28 H30 O9 -","- C224 H240 O72 -","8","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.1189","0.0756","","","0.201","0.2417","","","","","","0.792","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154251","10.9061","0.0008","13.3097","0.001","21.2966","0.0015","90","","90.467","0.001","90","","3091.2","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O12 -","- C32 H36 O12 -","- C128 H144 O48 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0683","0.0523","","","0.1332","0.1444","","","","","","1.032","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154252","13.2799","0.0012","15.4053","0.0014","26.172","0.003","90","","100.352","0.002","90","","5267.1","0.9","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 O7.5 -","- C27 H26 O7.5 -","- C216 H208 O60 -","8","2","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0974","0.058","","","0.1406","0.1623","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154253","11.5941","0.0013","10.9801","0.0012","23.784","0.002","90","","112.074","0.006","90","","2805.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O10 -","- C30 H34 O10 -","- C120 H136 O40 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0912","0.0862","","","0.0952","0.0957","","","","","","2.77","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154254","9.2888","0.0002","6.043","0.0001","27.8317","0.0006","90","","90","","90","","1562.26","0.05","150","2","150.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0321","0.0309","","","0.082","0.0833","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154255","27.3686","0.0006","6.32664","0.00013","8.74746","0.00017","90","","90","","90","","1514.63","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0346","0.0343","","","0.0913","0.0915","","","","","","1.035","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154256","5.3351","0.0003","10.0384","0.0005","15.6306","0.0009","106.562","0.005","98.033","0.005","95.518","0.004","786.31","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.54184","CuKα","","0.0444","0.042","","","0.1158","0.1183","","","","","","1.049","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154257","7.4735","0.0006","23.4154","0.0011","7.4325","0.0007","90","","102.242","0.003","90","","1271.07","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Xuan, Jun; Pan, Saiyong; Zhang, Yuanbao; Ye, Bin; Ding, Hanfeng","Construction of the tricyclic core of steenkrotin-type diterpenoids via intramolecular [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2015","13","6","1643","1646","10.1039/c4ob02439g","","","0.71073","MoKα","","0.0661","0.062","","","0.1505","0.1543","","","","","","1.004","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154258","20.294","0.003","6.4701","0.0008","15.4757","0.0017","90","","96.306","0.004","90","","2019.7","0.4","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 O5 S -","- C23 H28 O5 S -","- C92 H112 O20 S4 -","4","1","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0768","0.0598","","","0.1608","0.172","","","","","","1.17","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154259","10.4931","0.0008","11.5171","0.001","28.284","0.002","90","","91.379","0.004","90","","3417.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 O12 S3 -","- C29 H42 O12 S3 -","- C116 H168 O48 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0843","0.0605","","","0.1574","0.1826","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154260","5.227","0.0006","25.122","0.003","16.5667","0.0018","90","","99.08","","90","","2148.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 S3 -","- C17 H24 O10 S3 -","- C68 H96 O40 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0896","0.0674","","","0.1116","0.1632","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154261","15.814","0.004","14.779","0.003","21.657","0.005","90","","96.603","0.004","90","","5028","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N2 O24 -","- C84 H90 N2 O24 -","- C168 H180 N4 O48 -","2","0.5","","Zeng, Fei; Chen, Chuan-Feng","Synthesis of a novel water-soluble cylindrical macrotricyclic host and its complexation with N-methylquinolinium and N-methylisoquinolinium salts: formation of 1 : 2 complexes in water.","Organic & biomolecular chemistry","2015","13","7","1988","1991","10.1039/c4ob02533d","","","0.71073","MoKα","","0.1401","0.1131","","","0.287","0.3004","","","","","","1.622","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154262","7.536","0.0015","15.774","0.003","14.325","0.003","90","","101.14","0.03","90","","1670.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Kumar, Tarun; Verma, Deepti; Menna-Barreto, Rubem F S; Valença, Wagner O; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of imidazoles via cascade reaction of nitroallylic acetates with amidines and studies on their trypanocidal activity.","Organic & biomolecular chemistry","2015","13","7","1996","2000","10.1039/c4ob02561j","","","0.71073","MoKα","","0.114","0.0727","","","0.1632","0.2026","","","","","","1.09","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154263","5.5082","0.0017","10.112","0.002","11.961","0.002","66.024","0.017","83.58","0.03","78.23","0.02","595.6","0.3","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 N O6 S -","- C27 H25 N O6 S -","- C27 H25 N O6 S -","1","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","0.71075","MoKα","","0.0445","0.042","","","0.0936","0.0958","","","","","","1.047","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154264","12.537","0.003","8.0131","0.0015","12.749","0.004","90","","111.21","0.007","90","","1194","0.5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 S -","- C26 H23 N O6 S -","- C52 H46 N2 O12 S2 -","2","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","1.54187","CuKα","","0.0492","0.0466","","","0.1152","0.1166","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154265","10.418","0.006","14.443","0.007","17.001","0.008","90","","90.66","0.04","90","","2558","2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 B2 Li2 N2 O8 S2 -","- C46 H72 B2 Li2 N2 O8 S2 -","- C92 H144 B4 Li4 N4 O16 S4 -","2","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.7107","MoKα","","0.1114","0.0522","","","0.1198","0.14","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154266","7.2904","0.0003","10.5177","0.0004","31.1288","0.001","90","","90","","90","","2386.9","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PNP Pincer Pd","PN tBuMePdCl2","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2.003 N P2 Pd -","- C68 H124 Cl8.012 N4 P8 Pd4 -","4","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","0.71073","MoKα","","0.0593","0.0531","","","0.1625","0.1701","","","","","","1.143","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154267","10.9708","0.0004","8.8036","0.0003","11.9111","0.0005","90","","101.686","0.004","90","","1126.56","0.08","171.4","","171.4","","","","","","","","","5","P 1 n 1","P -2yac","7","5o","5o","","- C27 H29 N O2 S -","- C27 H29 N O2 S -","- C54 H58 N2 O4 S2 -","2","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","1.54184","CuKα","","0.0565","0.0517","","","0.1351","0.1417","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154268","8.778","0.005","27.635","0.005","7.797","0.005","90","","105.261","0.005","90","","1824.7","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-4-(9H-carbazol-9-yl)-N'-hydroxybenzimidamide","zzq0923","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Gu, Mei; Li, Yi; Wen, Jun; Yu, Hai-Zhu; Hu, Sheng; Wang, Xiaolin","""One-pot"" synthesis of amidoxime via Pd-catalyzed cyanation and amidoximation.","Organic & biomolecular chemistry","2015","13","9","2541","2545","10.1039/c4ob02456g","","","0.71073","MoKα","","0.0952","0.0729","","","0.1903","0.1987","","","","","","1.085","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154269","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154270","11.0752","0.0003","10.8473","0.0002","18.1152","0.0004","90","","103.625","0.002","90","","2115.04","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0868","0.0447","","","0.0997","0.1184","","","","","","1.014","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154271","10.3767","0.0004","10.8064","0.0004","15.0426","0.0005","75.845","0.002","76.824","0.002","62.065","0.002","1432.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S -","- C32 H36 N2 O4 S -","- C64 H72 N4 O8 S2 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0545","0.0448","","","0.119","0.1289","","","","","","1.03","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154272","9.2474","0.0015","21.492","0.003","8.1455","0.0013","90","","93.323","0.003","90","","1616.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 7-Methylene-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0444","0.0339","","","0.0859","0.0959","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154273","10.7866","0.0018","14.366","0.002","13.573","0.002","90","","111.734","0.003","90","","1953.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 7-(2-Ethoxy-2-oxoethylene)-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0676","0.0376","","","0.0853","0.1058","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154274","6.046","0.006","10.17","0.02","24.25","0.02","90","","90","","90","","1491","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.","Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.","Organic & biomolecular chemistry","2015","13","9","2546","2549","10.1039/c4ob02601b","","","0.71073","MoKα","","0.0712","0.0459","","","0.1114","0.1227","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154275","14.9779","0.0006","15.1104","0.0006","23.1992","0.0008","86.107","0.002","81.276","0.002","67.781","0.002","4804.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H48 Cl2 N14 O6 -","- C46 H48 Cl2 N14 O6 -","- C184 H192 Cl8 N56 O24 -","4","4","","Santos, Miguel M.; Marques, Igor; Carvalho, Sílvia; Moiteiro, Cristina; Félix, Vítor","Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties.","Organic & biomolecular chemistry","2015","13","10","3070","3085","10.1039/c4ob02283a","","","0.71073","MoKα","","0.0886","0.0606","","","0.1366","0.1507","","","","","","1.037","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154276","19.9112","0.0005","4.5568","0.0002","21.2328","0.0006","90","","97.948","0.002","90","","1907.97","0.11","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-6-amino-8-(4-methoxystyryl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile","","- C20.5 H17 Cl N2 O4 -","- C20.5 H17 Cl N2 O4 -","- C82 H68 Cl4 N8 O16 -","4","2","","Adili, Alafate; Tao, Zhong-Lin; Chen, Dian-Feng; Han, Zhi-Yong","Quinine-catalyzed highly enantioselective cycloannulation of o-quinone methides with malononitrile.","Organic & biomolecular chemistry","2015","13","8","2247","2250","10.1039/c4ob02602k","","","1.54184","CuKα","","0.0562","0.0484","","","0.1371","0.1466","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7154277","11.4383","0.0013","11.6596","0.0015","9.4849","0.0012","90","","104.523","0.003","90","","1224.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O2 S -","- C14 H11 F O2 S -","- C56 H44 F4 O8 S4 -","4","1","","Malwal, Satish R.; Chakrapani, Harinath","Benzosulfones as photochemically activated sulfur dioxide (SO2) donors.","Organic & biomolecular chemistry","2015","13","8","2399","2406","10.1039/c4ob02466d","","","0.71073","MoKα","","0.0422","0.0341","","","0.0999","0.1042","","","","","","1.491","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154278","5.5351","0.0006","11.2034","0.0012","21.678","0.002","90","","90","","90","","1344.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F N2 O6 -","- C12 H13 F N2 O6 -","- C48 H52 F4 N8 O24 -","4","1","","Kwiatkowski, Jacek; Lu, Yixin","Asymmetric Michael addition of α-fluoro-α-nitro esters to nitroolefins: towards synthesis of α-fluoro-α-substituted amino acids.","Organic & biomolecular chemistry","2015","13","8","2350","2359","10.1039/c4ob02486a","","","1.54178","CuKα","","0.0253","0.025","","","0.0655","0.0658","","","","","","1.094","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154279","8.1432","0.0016","15.506","0.003","19.315","0.004","90","","99.992","0.003","90","","2401.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Nagaraju, Vemu; Purnachander, Dalovai; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Reaction of β-enaminones and acetylene dicarboxylates: synthesis of substituted 1,2-dihydropyridinones.","Organic & biomolecular chemistry","2015","13","10","3011","3023","10.1039/c4ob01578a","","","0.71073","MoKα","","0.0865","0.0604","","","0.1685","0.1855","","","","","","1.051","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154280","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154281","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154282","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154283","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154284","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154285","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154286","29.9748","0.0004","29.9748","0.0004","29.9748","0.0004","90","","90","","90","","26932","0.6","119.8","0.6","120","","","","","","","","","4","I 2 3","I 2 2 3","197","","gamma-cyclodextrin duplex","","- C48 H78 O86.066 S2 -","- C48 H78 O86.1087 S2 -","- C576 H936 O1033.3 S24 -","12","0.5","","Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš","A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes.","Organic & biomolecular chemistry","2015","13","10","2980","2985","10.1039/c4ob02464h","","x-ray","1.54184","CuKα","","0.15","0.1089","","","0.2348","0.249","","","","3.34","3.34","2.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154287","9.5097","0.0004","10.4987","0.0004","19.3484","0.0007","90","","96.431","0.002","90","","1919.58","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I N2 O2 -","- C22 H15 I N2 O2 -","- C88 H60 I4 N8 O8 -","4","1","","Bharathiraja, Ganesan; Sengoden, Mani; Kannan, Masanam; Punniyamurthy, Tharmalingam","Expedient synthesis of tetrasubstituted pyrroles via a copper-catalyzed cascade inter-/intramolecular cyclization of 1,3-enynes carry a nitro group with amines.","Organic & biomolecular chemistry","2015","13","9","2786","2792","10.1039/c4ob02508c","","","0.71073","MoKα","","0.0561","0.0378","","","0.1179","0.1328","","","","","","0.914","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154288","12.1483","0.0004","13.9559","0.0004","13.7585","0.0004","90","","90.921","0.002","90","","2332.32","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,5R*)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate","","- C25 H29 N O7 -","- C24.195 H26.235 N O6.77 -","- C96.78 H104.94 N4 O27.08 -","4","1","","Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.","Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.","Organic & biomolecular chemistry","2015","13","9","2640","2651","10.1039/c4ob02454k","","","0.71073","MoKα","","0.0812","0.0418","","","0.089","0.0964","","","","","","0.891","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154289","6.7186","0.0002","15.8096","0.0005","26.5176","0.0007","90","","90","","90","","2816.66","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br N4 O5 S -","- C27 H33 Br N4 O5 S -","- C108 H132 Br4 N16 O20 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.1125","0.0698","","","0.1008","0.1124","","","","","","1.067","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154290","18.6244","0.0011","8.4267","0.0004","16.0611","0.0008","90","","93.118","0.005","90","","2516.9","0.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N4 O6 S2 -","- C21 H32 N4 O6 S2 -","- C84 H128 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0474","0.043","","","0.1128","0.1171","","","","","","1.039","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154291","8.106","0.0012","10.5928","0.0016","14.983","0.002","90","","96.273","0.008","90","","1278.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Br N4 O6 S2 -","- C23 H27 Br N4 O6 S2 -","- C46 H54 Br2 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0599","0.0355","","","0.0799","0.0875","","","","","","0.993","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154292","9.5896","0.0002","14.7665","0.0003","14.7848","0.0003","90","","90","","90","","2093.6","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0363","0.0346","","","0.0895","0.0908","","","","","","1.082","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154293","7.7425","0.0004","10.0108","0.0006","13.8284","0.0008","90","","102.033","0.003","90","","1048.27","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C34 H52 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0364","0.0317","","","0.0785","0.0819","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154294","9.2942","0.001","13.9119","0.0013","15.3096","0.0017","90","","90","","90","","1979.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0868","0.0432","","","0.0801","0.0926","","","","","","0.988","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154295","7.1146","0.0003","8.0387","0.0003","15.0865","0.0006","90.323","0.002","100.054","0.002","109.252","0.002","800.21","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C28 H40 N4 O10 S2 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0441","0.0386","","","0.1109","0.1169","","","","","","1.059","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154296","6.0244","0.0004","11.844","0.0009","13.27","0.0013","93.58","0.02","94.51","0.02","94.85","0.05","938.26","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 F O2 -","- C25 H21 F O2 -","- C50 H42 F2 O4 -","2","2","","da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo","Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.","Organic & biomolecular chemistry","2015","13","11","3280","3287","10.1039/c4ob02611j","","","0.71073","MoKα","","0.0916","0.0788","","","0.2235","0.2343","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154297","10.1672","0.0017","6.8153","0.0014","22.813","0.005","90","","93.975","0.007","90","","1577","0.5","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C60 H84 N12 O24 -","4","1","","Ingemar Olsen, Jacob; Sauer, Stephan P. A.; Marcus Pedersen, Christian; Bols, Mikael","Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?","Organic & biomolecular chemistry","2015","13","10","3116","3121","10.1039/c4ob02630f","","","0.71073","MoKα","","0.0919","0.0461","","","0.0861","0.1019","","","","","","1.0504","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154298","6.1948","0.0003","10.9643","0.0005","11.253","0.0005","110.753","0.002","98.248","0.002","103.002","0.003","675.19","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C24 H30 Cl2 N4 O2 S2 -","2","1","","Brockmeyer, Fabian; Morosow, Valentin; Martens, Jürgen","A new multicomponent reaction: unexpected formation of derivatizable cyclic α-alkoxy isothioureas.","Organic & biomolecular chemistry","2015","13","11","3341","3346","10.1039/c4ob02608j","","","0.71073","MoKα","","0.0781","0.0508","","","0.1131","0.1253","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154299","7.9458","0.0003","12.8313","0.0005","27.3563","0.0012","101.325","0.004","93.68","0.003","101.932","0.003","2659.71","0.19","132","2","132","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 B10 O -","- C20 H48 B10 O -","- C80 H192 B40 O4 -","4","2","","Boggio, Paolo; Toppino, Antonio; Geninatti Crich, Simonetta; Alberti, Diego; Marabello, Domenica; Medana, Claudio; Prandi, Cristina; Venturello, Paolo; Aime, Silvio; Deagostino, Annamaria","The hydroboration reaction as a key for a straightforward synthesis of new MRI-NCT agents.","Organic & biomolecular chemistry","2015","13","11","3288","3297","10.1039/c4ob02291b","","","1.5418","CuKα","","0.0778","0.0534","","","0.1322","0.149","","","","","","1.026","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154300","11.644","0.003","14.685","0.002","11.1346","0.0019","90","","91.878","0.012","90","","1902.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-4H-furo[3,2-c]chromen-4-one","4c","","- C24 H13 Cl O5 -","- C24 H13 Cl O5 -","- C96 H52 Cl4 O20 -","4","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.1312","0.0676","","","0.1595","0.211","","","","","","1.01","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154301","17.409","0.003","11.222","0.002","21.848","0.004","90","","90","","90","","4268.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(2-(2-Hydroxy-5-methylbenzoyl)-8-methyl-4-oxo-4H-furo[3,2-c]chromen-3-yl)benzonitrile","5c","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.0732","0.0493","","","0.128","0.1485","","","","","","1.041","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154302","9.6625","0.0002","23.9818","0.0006","10.8059","0.0002","90","","115.753","0.0007","90","","2255.29","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N5 O -","- C26 H22 Br N5 O -","- C104 H88 Br4 N20 O4 -","4","1","","Kamlar, M.; Císařová, I; Veselý, J","Alkynylation of heterocyclic compounds using hypervalent iodine reagent.","Organic & biomolecular chemistry","2015","13","10","2884","2889","10.1039/c4ob02625j","","","0.71073","MoKα","","0.0701","0.0498","","","0.117","0.1257","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154303","23.59","0.003","12.9016","0.0015","18.644","0.002","90","","98.267","0.002","90","","5615.3","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-1H-inden-3-yl dicyclohexylphosphine","","- C35 H37 P -","- C35 H37 P -","- C280 H296 P8 -","8","1","","Chen, You; Peng, Hui; Pi, Yun-Xiao; Meng, Tong; Lian, Ze-Yu; Yan, Meng-Qi; Liu, Yan; Liu, Sheng-Hua; Yu, Guang-Ao","Efficient phosphine ligands for the one-pot palladium-catalyzed borylation/Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2015","13","11","3236","3242","10.1039/c4ob02436b","","","0.71073","MoKα","","0.0681","0.047","","","0.1279","0.1494","","","","","","1.042","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154304","15.1668","0.0006","14.7772","0.0007","12.7612","0.0006","90","","90","","90","","2860.1","0.2","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C66 H70 N2 O4 S4 -","- C66 H70 N2 O4 S4 -","- C132 H140 N4 O8 S8 -","2","0.5","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko","The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.","Organic & biomolecular chemistry","2015","13","11","3476","3483","10.1039/c4ob02393e","","","0.6525","synchrotron","","0.0386","0.0371","","","0.0993","0.1012","","","","","","1.031","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154305","8.932","0.005","11.791","0.005","11.668","0.005","90","0.005","99.317","0.005","90","0.005","1212.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 O2 -","- C11 H8 Cl4 O2 -","- C44 H32 Cl16 O8 -","4","1","","Nageswara Rao, Chintada; Ahmed Khan, Faiz","BF3-Et2O mediated skeletal rearrangements of norbornyl appended cyclopentanediols.","Organic & biomolecular chemistry","2015","13","9","2768","2775","10.1039/c4ob02423k","","","0.71069","MoKα","","0.0657","0.0321","","","0.0809","0.0853","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154306","4.1231","0.0013","16.176","0.005","10.044","0.003","90","","94.086","0.007","90","","668.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Qiu, Jing-Wen; Hu, Bo-Lun; Zhang, Xing-Guo; Tang, Ri-Yuan; Zhong, Ping; Li, Jin-Heng","Copper-catalyzed ring expansion of 2-aminobenzothiazoles with alkynyl carboxylic acids to 1,4-benzothiazines.","Organic & biomolecular chemistry","2015","13","10","3122","3127","10.1039/c4ob02467b","","","0.71073","MoKα","","0.0755","0.0746","","","0.1705","0.1711","","","","","","1.265","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154307","26.7092","0.0014","9.0357","0.0004","17.2708","0.0009","90","","90","","90","","4168.1","0.4","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C53 H46 B2 N2 O3 -","- C53 H46 B2 N2 O3 -","- C212 H184 B8 N8 O12 -","4","0.5","","Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.","Organic & biomolecular chemistry","2015","13","11","3268","3279","10.1039/c4ob02545h","","","0.71073","MoKα","","0.093","0.0685","","0.1695","0.149","0.1694","","","","","","0.9995","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154308","27.206","0.005","6.873","0.005","10.231","0.005","90","0.005","92.155","0.005","90","0.005","1911.7","1.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Vidyasagar, Adiyala; Sureshan, Kana M.","Total syntheses of five uvacalols: structural validation of uvacalol A, uvacalol B and uvacalol C and disproval of the structures of uvacalol E and uvacalol G.","Organic & biomolecular chemistry","2015","13","13","3900","3910","10.1039/c4ob02663b","","","0.71073","MoKα","","0.038","0.0326","","","0.0939","0.1254","","","","","","1.194","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154309","19.1472","0.0017","5.7177","0.0005","22.9157","0.0019","90","","98.01","0.005","90","","2484.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromobenzoic acid 2-Ethoxycarbonyl-2-[3-methylene-1-(toluene-4-sulfonyl)-piperidin-4-yl]-ethyl ester","","- C25 H28 Br N O6 S -","- C25 H28 Br N O6 S -","- C100 H112 Br4 N4 O24 S4 -","4","1","","Pathak, Ravindra B.; Dobson, Benjamin C.; Ghosh, Nandita; Ageel, Khalid A.; Alshawish, Madeha R.; Saruengkhanphasit, Rungroj; Coldham, Iain","Synthesis of the tricyclic core of manzamine A.","Organic & biomolecular chemistry","2015","13","11","3331","3340","10.1039/c4ob02582b","","","0.71073","MoKα","","0.1169","0.044","","","0.0751","0.0951","","","","","","0.992","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154310","5.561","","6.229","","16.499","","90","","90","","90","","571.517","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0948","0.0553","","","0.1257","0.1425","","","","","","0.907","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154311","14.054","0.001","11.4353","0.0006","21.489","0.001","90","","90","","90","","3453.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F4 N2 O P -","- C17 H13 F4 N2 O P -","- C136 H104 F32 N16 O8 P8 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0992","0.0612","","","0.1561","0.1785","","","","","","0.989","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154312","23.325","0.004","6.6111","0.0011","17.954","0.003","90","","98.023","0.015","90","","2741.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F4 N3 O2 -","- C13 H9 F4 N3 O2 -","- C104 H72 F32 N24 O16 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1829","0.0614","","","0.1365","0.1769","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154313","9.031","0.0009","22.7184","0.0015","5.5619","0.0004","90","","99.42","0.007","90","","1125.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F4 N2 O2 -","- C9 H10 F4 N2 O2 -","- C36 H40 F16 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1632","0.0545","","","0.1339","0.1713","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154314","9.2697","0.0008","5.3382","0.0005","10.8156","0.0008","90","","96.537","0.007","90","","531.71","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F2 N O2 -","- C4 H5 F2 N O2 -","- C16 H20 F8 N4 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.068","0.0496","","","0.1336","0.1524","","","","","","1.011","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154315","5.7282","0.0006","7.9911","0.0008","23.674","0.003","90","","92.336","0.01","90","","1082.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.111","0.0829","","","0.2092","0.2286","","","","","","1.037","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154316","6.464","0.0004","20.721","0.003","5.7018","0.0006","90","","97.017","0.007","90","","757.98","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O5 -","- C7 H7 N O5 -","- C28 H28 N4 O20 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0487","0.0353","","","0.0838","0.0897","","","","","","1.009","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154317","10.567","0.0007","20.0282","0.0012","6.842","0.0005","90","","95.652","0.002","90","","1440.99","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-6-methylindolo[1,2-<i>f</i>]phenanthridine","","- C21 H14 F N -","- C21 H14 F N -","- C84 H56 F4 N4 -","4","1","","Ngo, Thang Ngoc; Ehlers, Peter; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Synthesis of indolo[1,2-f]phenanthridines by Pd-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions.","Organic & biomolecular chemistry","2015","13","11","3321","3330","10.1039/c5ob00013k","","","0.71073","MoKα","","0.0674","0.0518","","","0.1216","0.1292","","","","","","1.095","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154318","12.04","0.004","11.834","0.003","17.361","0.005","90","","105.585","0.005","90","","2382.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F6 N2 O2 -","- C27 H24 F6 N2 O2 -","- C108 H96 F24 N8 O8 -","4","1","","Cheng, Hong-Bo; Huang, Yao-Dong; Zhao, Lina; Li, Xu; Wu, Hai-Chen","A prominent bathochromic shift effect of indole-containing diarylethene derivatives.","Organic & biomolecular chemistry","2015","13","11","3470","3475","10.1039/c4ob02619e","","","0.71073","MoKα","","0.0468","0.0384","","","0.096","0.1008","","","","","","1.062","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154319","11.085","0.003","11.91","0.003","15.798","0.004","90","","103.025","0.018","90","","2032","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C42 H39 Br N3 O3 S -","- C42 H39 Br N3 O6 S -","- C84 H78 Br2 N6 O12 S2 -","2","1","","Chen, Jian-Ping; Chen, Wen-Wen; Li, Yi; Xu, Ming-Hua","A highly diastereoselective Friedel-Crafts reaction of indoles with isatin-derived N-sulfinyl ketimines towards the efficient synthesis of chiral tetrasubstituted 3-indolyl-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","11","3363","3370","10.1039/c5ob00063g","","","0.71073","MoKα","","0.1925","0.0992","","","0.2484","0.333","","","","","","0.956","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154320","8.0644","0.0006","11.5331","0.001","8.2552","0.0008","90","","95.154","0.005","90","","764.69","0.11","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O4 S -","- C14 H16 Br N O4 S -","- C28 H32 Br2 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0264","0.026","","","0.0656","0.0659","","","","","","1.166","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154321","8.079","0.002","11.113","0.003","18.417","0.005","90","","90","","90","","1653.5","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N4 O4 S -","- C14 H15 Br N4 O4 S -","- C56 H60 Br4 N16 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.024","0.0235","","","0.0567","0.0569","","","","","","1.091","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154322","8.1106","0.0016","15.869","0.003","13.458","0.003","90","","105.33","0.03","90","","1670.5","0.6","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0536","0.0481","","","0.0998","0.1043","","","","","","1.1","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154323","10.9","0.002","17.232","0.003","8.4931","0.0016","90","","90","","90","","1595.2","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0296","0.0288","","","0.0716","0.0722","","","","","","1.089","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154324","7.714","0.002","8.924","0.003","11.423","0.003","76.922","0.012","75.224","0.012","74.066","0.012","720.7","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0472","0.0454","","","0.1185","0.1198","","","","","","1.161","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154325","10.036","0.002","7.3432","0.0015","10.826","0.002","90","","111.23","0.03","90","","743.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C26 H42 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0278","0.0274","","","0.0668","0.0671","","","","","","1.076","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154326","5.6597","0.0012","15.69","0.003","24.567","0.005","90","","90","","90","","2181.6","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O5 S2 -","- C20 H24 Br N O5 S2 -","- C80 H96 Br4 N4 O20 S8 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0546","0.0474","","","0.078","0.0809","","","","","","1.104","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154327","8.116","0.002","14.954","0.005","13.474","0.004","90","","92.642","0.003","90","","1633.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0339","0.0324","","","0.0726","0.0735","","","","","","1.065","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154328","7.963","0.002","11.336","0.003","20.402","0.005","90","","90","","90","","1841.7","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C76 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0326","0.0308","","","0.0611","0.062","","","","","","1.123","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154329","34.802","0.002","8.7586","0.0005","22.5029","0.0016","90","","120.418","0.009","90","","5915.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H81 N3 O12 -","- C64 H81 N3 O12 -","- C256 H324 N12 O48 -","4","1","","Ear, Alexandre; Amand, Séverine; Blanchard, Florent; Blond, Alain; Dubost, Lionel; Buisson, Didier; Nay, Bastien","Direct biosynthetic cyclization of a distorted paracyclophane highlighted by double isotopic labelling of l-tyrosine.","Organic & biomolecular chemistry","2015","13","12","3662","3666","10.1039/c5ob00114e","","","1.54187","CuKα","","0.0927","0.0658","","","0.1511","0.1897","","","","","","1.026","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154330","14.222","0.005","8.925","0.005","25.35","0.005","90","0.005","90","0.005","90","0.005","3218","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N3 S -","- C17 H14 F3 N3 S -","- C136 H112 F24 N24 S8 -","8","1","","Zhu, Jiayi; Chen, Yu; Lin, Feng; Wang, Baoshuang; Chen, Zhengwang; Liu, Liangxian","NiSO4-catalyzed C-H activation/C-S cross-coupling of 1,2,3-triazole N-oxides with thiols.","Organic & biomolecular chemistry","2015","13","12","3711","3720","10.1039/c4ob02586e","","","0.71069","MoKα","","0.0677","0.0444","","","0.1188","0.1327","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154331","6.68948","0.00007","14.04389","0.00015","7.22458","0.00009","90","","93.875","0.0011","90","","677.171","0.013","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","azepinomycin","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C24 H32 N16 O8 -","4","1","","Coggins, Adam J.; Tocher, Derek A.; Powner, Matthew W.","One-step protecting-group-free synthesis of azepinomycin in water.","Organic & biomolecular chemistry","2015","13","11","3378","3381","10.1039/c5ob00210a","","","1.5418","CuKα","","0.0389","0.0383","","","0.1004","0.1007","","","","","","1.088","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154332","10.9506","0.0005","19.9674","0.0009","15.2675","0.0009","90","","110.711","0.002","90","","3122.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H14 B F19 N2 -","- C33 H14 B F19 N2 -","- C132 H56 B4 F76 N8 -","4","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0719","0.0605","","","0.1506","0.1592","","","","","","1.045","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154333","7.3337","0.0012","9.9719","0.0016","10.128","0.0016","93.269","0.005","99.21","0.005","110.524","0.004","679.57","0.19","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","1","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0646","0.0637","","","0.1738","0.1747","","","","","","1.095","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154334","11.7456","0.0002","13.5528","0.0003","13.0646","0.0009","90","","90","","90","","2079.7","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Br N3 O -","- C26 H18 Br N3 O -","- C104 H72 Br4 N12 O4 -","4","1","","Fang, Fang; Hua, Genghong; Shi, Feng; Li, Pengfei","Organocatalytic enantioselective Friedel-Crafts reaction: an efficient access to chiral isoindolo-β-carboline derivatives.","Organic & biomolecular chemistry","2015","13","15","4395","4398","10.1039/c5ob00175g","","","1.54187","CuKα","","0.0421","0.0362","","","0.0882","0.0967","","","","","","1.125","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154335","5.414","0.006","20.283","0.019","18.171","0.017","90","","92.881","0.019","90","","1993","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C88 H80 Br4 N4 O16 -","4","1","","Jose, Anu; Jayakrishnan, A. J.; Seetha Lakshmi, K. C.; Varughese, Sunil; Nair, Vijay","Phosphine-mediated reaction of 3-methyl allenoate and isatins: a protocol for the synthesis of spirofuran oxindoles.","Organic & biomolecular chemistry","2015","13","12","3589","3592","10.1039/c5ob00123d","","","0.71073","MoKα","","0.0848","0.0685","","","0.1854","0.2142","","","","","","1.051","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154336","20.0272","0.0004","10.57393","0.00019","10.07746","0.00017","90","","90","","90","","2134.07","0.07","150","2","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","4-cis-trifluoromethylproline N-acetyl methyl ester","methyl (2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate","","- C9 H12 F3 N O3 -","- C9 H12 F3 N O3 -","- C72 H96 F24 N8 O24 -","8","1","","Kubyshkin, Vladimir; Afonin, Sergii; Kara, Sezgin; Budisa, Nediljko; Mykhailiuk, Pavel K.; Ulrich, Anne S.","γ-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.","Organic & biomolecular chemistry","2015","13","11","3171","3181","10.1039/c5ob00034c","","x-ray","1.54184","CuKα","","0.0379","0.0341","","","0.0864","0.0895","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154337","3.8783","0.0005","11.1617","0.0014","15.3358","0.0019","78.727","0.002","85.961","0.002","86.336","0.002","648.58","0.14","150","2","150","2","","","","","","","Synthesis","4","P -1","-P 1","2","","ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Mohan, Darapaneni Chandra; Ravi, Chitrakar; Rao, Sadu Nageswara; Adimurthy, Subbarayappa","Copper-mediated synthesis of pyrazolo[1,5-a]pyridines through oxidative linkage of C-C/N-N bonds.","Organic & biomolecular chemistry","2015","13","12","3556","3560","10.1039/c5ob00018a","","","0.71073","MoKα","","0.0597","0.0545","","","0.1075","0.1098","","","","","","1.183","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154338","9.8145","0.0008","10.0842","0.0006","11.3461","0.0007","97.195","0.005","91.225","0.006","113.239","0.007","1020.62","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","3-(Hexylamino)-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H26 B F2 N3 O -","- C22 H26 B F2 N3 O -","- C44 H52 B2 F4 N6 O2 -","2","1","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0902","0.0504","","","0.0951","0.1157","","","","","","1.033","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154339","15.3219","0.0004","17.3301","0.0004","17.5462","0.0005","90","","110.858","0.003","90","","4353.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","3-(Hexylamino)-6-iodo-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H25 B F2 I N3 O -","- C22 H25 B F2 I N3 O -","- C176 H200 B8 F16 I8 N24 O8 -","8","4","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0483","0.0323","","","0.0602","0.0674","","","","","","1.057","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154340","10.2882","0.0001","10.0834","0.0001","17.6278","0.0002","90","","100.173","0.0004","90","","1799.96","0.03","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(cyclohexylidenemethyl)-3,3-diphenyldihydrofuran-2(3H)-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","1.54178","CuKα","","0.0349","0.0345","","","0.0841","0.0844","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154341","7.1469","0.0005","15.303","0.001","16.4534","0.001","73.124","0.001","89.797","0.001","88.864","0.001","1721.7","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-4-phenyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalen-9-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.1345","0.0626","","","0.1199","0.16","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154342","9.7954","0.0004","9.8427","0.0004","11.0909","0.0005","78.548","0.002","77.234","0.002","64.389","0.003","933.94","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-methoxy-4-phenyl-4,5,5a,6,6a,7,8,9,10,10a-decahydroacephenanthrylene- 4-carboxylic acid","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.0472","0.0431","","","0.1193","0.1243","","","","","","0.993","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154343","6.021","0.002","16.358","0.006","16.457","0.006","90","","96.874","0.004","90","","1609.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Hou, Lekai; Chen, Xiangxiang; Li, Shuang; Cai, Suxian; Zhao, Yanxia; Sun, Meng; Yang, Xiao-Juan","Palladium-catalyzed regio-selective oxidative C-H bond acylation of azoxybenzenes with alcohols.","Organic & biomolecular chemistry","2015","13","14","4160","4164","10.1039/c5ob00089k","","","0.71073","MoKα","","0.0797","0.0532","","","0.1464","0.1676","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154344","22.3006","0.0018","22.3364","0.0018","36.666","0.003","91.732","0.001","92.554","0.001","111.906","0.001","16907","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Na2[CB@ac](ac).16H2O","","- C62 H74 N12 Na4 O40 S4 -","- C61.9999 H73.9998 N12 Na3.97775 O39.9022 S4 -","- C495.999 H591.999 N96 Na31.822 O319.218 S32 -","8","4","","Gilberg, Laura; Zhang, Ben; Zavalij, Peter Y.; Sindelar, Vladimir; Isaacs, Lyle","Acyclic cucurbit[n]uril-type molecular containers: influence of glycoluril oligomer length on their function as solubilizing agents.","Organic & biomolecular chemistry","2015","13","13","4041","4050","10.1039/c5ob00184f","","","0.71073","MoKα","","0.1519","0.1228","","","0.2293","0.2422","","","","","","1.386","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154345","10.903","0.004","8.978","0.003","13.171","0.005","90","","108.452","0.012","90","","1223","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh","Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","20","5629","5635","10.1039/c5ob00182j","","","0.71073","MoKα","","0.1339","0.0702","","","0.167","0.2062","","","","","","0.973","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154346","9.4408","0.0017","25.506","0.005","8.066","0.0015","90","","95.641","0.004","90","","1932.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Xiang, Jiachen; Wang, Jungang; Wang, Miao; Meng, Xianggao; Wu, Anxin","One-pot total synthesis of streptindole, arsindoline B and their congeners through tandem decarboxylative deaminative dual-coupling reaction of amino acids with indoles.","Organic & biomolecular chemistry","2015","13","14","4240","4247","10.1039/c5ob00025d","","","0.71073","MoKα","","0.0871","0.0476","","","0.1148","0.1367","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154347","28.938","0.006","11.193","0.002","16.37","0.003","90","","108.12","0.03","90","","5039.3","1.9","173","","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.0838","0.0557","","","0.1347","0.1556","","","","","","1.083","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154348","14.183","0.003","11.422","0.002","17.031","0.003","90","","111.93","0.03","90","","2559.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.1549","0.0972","","","0.2368","0.3344","","","","","","1.118","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154349","12.5161","0.001","14.0082","0.0011","27.051","0.002","90","","90","","90","","4742.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F3 N2 O3 -","- C12 H9 F3 N2 O3 -","- C192 H144 F48 N32 O48 -","16","2","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0778","0.0665","","","0.1543","0.1646","","","","","","1.209","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154350","6.7929","0.0001","9.5186","0.0002","10.322","0.0002","102.643","0.003","91.759","0.003","104.107","0.003","629.09","0.02","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0528","0.0507","","","0.1256","0.1275","","","","","","1.101","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154351","14.7611","0.0003","4.6408","0.0003","17.1279","0.0003","90","","90.424","0.002","90","","1173.29","0.08","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I N3 O4 -","- C10 H8 I N3 O4 -","- C40 H32 I4 N12 O16 -","4","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0384","0.032","","","0.0742","0.0774","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154352","6.3391","0.0012","7.7064","0.0015","12.819","0.002","93.164","0.006","102.778","0.006","113.261","0.006","553.93","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.1213","0.0889","","","0.2074","0.2298","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154353","10.5513","0.0006","13.4479","0.0007","21.737","0.0012","90","","90","","90","","3084.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,4R,4'S,5'S)-tert-butyl 4',5'-diphenyl-3-(phenylsulfonyl)-3,4-dihydro-1H-spiro[1,4-epiminonaphthalene-2,2'-[1,3]dioxolane]-9-carboxylate","","- C35 H33 N O6 S -","- C35 H33 N O6 S -","- C140 H132 N4 O24 S4 -","4","1","","Pandey, Ganesh; Varkhedkar, Rajesh; Tiwari, Divya","Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template.","Organic & biomolecular chemistry","2015","13","15","4438","4448","10.1039/c5ob00229j","","","0.71073","MoKα","","0.0743","0.0485","","","0.083","0.0916","","","","","","1.035","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154354","13.228","0.005","9.602","0.003","17.978","0.006","90","","97.418","0.007","90","","2264.4","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.054","0.038","","","0.0781","0.0833","","","","","","0.981","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154355","8.8803","0.0018","11.094","0.002","11.201","0.002","79.42","0.03","79.41","0.03","77.65","0.03","1047.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.0889","0.0476","","","0.1089","0.127","","","","","","0.997","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154356","15.5903","0.0004","18.0794","0.0005","25.8875","0.0008","90","","90","","90","","7296.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MACROCYCLE STRUCTURE 26","","","- C69 H74 N12 O7 -","- C69 H74 N12 O7 -","- C276 H296 N48 O28 -","4","1","","Chavez-Acevedo, Lizbeth; Miranda, Luis D.","Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.","Organic & biomolecular chemistry","2015","13","15","4408","4412","10.1039/c5ob00067j","","","0.71073","MoKα","","0.1778","0.0757","","","0.1597","0.2051","","","","","","0.964","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154357","9.8957","0.0003","23.4982","0.0007","8.5844","0.0003","90","","103.811","0.002","90","","1938.43","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-(<i>tert</i>-Butyl)phenyl)-10-methyl-5,10-dihydroindolo[3,2-b]indole","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MoKα","","0.0971","0.0507","","","0.1115","0.1326","","","","","","1.027","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154358","18.304","0.005","4.5035","0.0012","21.714","0.006","90","","95.318","0.003","90","","1782.2","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 I O5 -","- C19 H19 I O5 -","- C76 H76 I4 O20 -","4","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.71073","MoKα","","0.0506","0.0393","","","0.1136","0.1261","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154359","15.139","0.003","10.0225","0.0018","30.107","0.006","90","","103.866","0.003","90","","4435","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Br N2 O3 -","- C24 H25 Br N2 O3 -","- C192 H200 Br8 N16 O24 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Shannon, Jonathan; Tocher, Derek A.","Stereoselective synthesis of 1,2-diamine containing indolines by a conjugate addition nitro-Mannich reaction.","Organic & biomolecular chemistry","2015","13","1","170","177","10.1039/c4ob01793e","","","0.71073","MoKα","","0.0504","0.0358","","","0.0953","0.1023","","","","","","0.971","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154360","21.4489","0.0015","15.1178","0.0015","14.8599","0.0012","90","","120.899","0.004","90","","4134.6","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl O5 S -","- C23 H23 Cl O5 S -","- C184 H184 Cl8 O40 S8 -","8","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0898","","","","","","1.018","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154361","7.3355","0.0003","27.2184","0.0011","12.3978","0.0005","90","","106.559","0.0011","90","","2372.69","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O5 S -","- C29 H28 O5 S -","- C116 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0887","0.0932","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154362","9.7206","0.0004","14.2444","0.0005","15.3744","0.0005","95.035","0.0014","95.523","0.0015","96.46","0.0015","2094.98","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","2","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0609","0.0402","","","0.091","0.1013","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154363","10.6137","0.001","15.5004","0.0014","13.2501","0.0012","90","","92.946","0.003","90","","2177","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O7 S -","- C25 H26 O7 S -","- C100 H104 O28 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0476","0.0348","","","0.0816","0.0884","","","","","","1.023","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154364","9.0583","0.0006","29.646","0.002","8.5818","0.0006","90","","106.748","0.002","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 S -","- C26 H28 O5 S -","- C104 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0485","0.0374","","","0.0901","0.0957","","","","","","1.019","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154365","7.053","0.004","7.478","0.004","24.426","0.014","90","","89.526","0.015","90","","1288.2","1.2","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O3 -","- C12 Br N O3 -","- C48 Br4 N4 O12 -","4","2","","Zhu, Yadong; Qian, Pengfei; Yang, Jiyang; Chen, Shaohua; Hu, Yanwei; Wu, Ping; Wang, Wei; Zhang, Wei; Zhang, Shilei","Organocatalytic enantioselective Michael addition of cyclic hemiacetals to nitroolefins: a facile access to chiral substituted 5- and 6-membered cyclic ethers.","Organic & biomolecular chemistry","2015","13","16","4769","4775","10.1039/c5ob00202h","","","0.7107","MoKα","","","0.0917","","","","0.0928","","","","","","8.877","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154366","5.834","0.016","12.53","0.04","19.7","0.05","87.16","0.04","86.36","0.04","88.79","0.04","1435","7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Ding, Zhengwei; Tan, Qitao; Gao, Mingchun; Xu, Bin","Copper-catalyzed aerobic cascade cycloamination and acyloxylation: a direct approach to 4-acyloxy-1H-pyrazoles.","Organic & biomolecular chemistry","2015","13","16","4642","4646","10.1039/c5ob00409h","","","0.71073","MoKα","","0.1325","0.0873","","","0.2588","0.3065","","","","","","1.087","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154367","9.106","0.003","9.532","0.003","20.806","0.001","90","","99.034","0.012","90","","1783.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Li, Gang; Li, Li; Huang, Haihong; Yin, Dali","Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones.","Organic & biomolecular chemistry","2015","13","15","4418","4421","10.1039/c5ob00174a","","","1.54178","CuKα","","0.0518","0.0471","","","0.1431","0.1491","","","","","","1.102","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154368","8.8905","0.0005","11.0671","0.0005","11.5086","0.0006","89.95","0.002","75.602","0.002","72.86","0.002","1044.87","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Guo, Shengmei; Lu, Lin; Gong, Jiuhan; Zhu, Zheng; Xu, Feng; Wei, Zhenhong; Cai, Hu","Copper-mediated tandem reaction of β-ketoesters/ketones with tertiary amines for the synthesis of 2,3-dihydrofurans.","Organic & biomolecular chemistry","2015","13","15","4426","4429","10.1039/c5ob00191a","","","0.71073","MoKα","","0.0578","0.0504","","","0.1406","0.1491","","","","","","1.032","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154369","13.568","0.015","7.443","0.007","19.72","0.02","90","","105.441","0.009","90","","1920","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 Cl N6 O11 -","- C34 H55 Cl N6 O11 -","- C68 H110 Cl2 N12 O22 -","2","1","","Aillard, Boris; Kilburn, Jeremy D.; Blaydes, Jeremy P.; Tizzard, Graham J.; Findlow, Stuart; Werner, Jörn M; Bloodworth, Sally","Synthesis and evaluation of a (3R,6S,9S)-2-oxo-1-azabicyclo[4.3.0]nonane scaffold as a mimic of Xaa-trans-Pro in poly-l-proline type II helix conformation.","Organic & biomolecular chemistry","2015","13","15","4562","4569","10.1039/c5ob00180c","","x-ray","0.6889","","","0.1527","0.0833","","","0.1667","0.2067","","","","","","0.954","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154370","10.7456","0.0006","10.9466","0.0006","16.6473","0.0007","90","","97.4225","0.0014","90","","1941.78","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","2","","Okazaki, Shiho; Oishi, Shinya; Mizuhara, Tsukasa; Shimura, Kazuya; Murayama, Hiroto; Ohno, Hiroaki; Matsuoka, Masao; Fujii, Nobutaka","Investigations of possible prodrug structures for 2-(2-mercaptophenyl)tetrahydropyrimidines: reductive conversion from anti-HIV agents with pyrimidobenzothiazine and isothiazolopyrimidine scaffolds.","Organic & biomolecular chemistry","2015","13","16","4706","4713","10.1039/c5ob00301f","","","0.71075","MoKα","","","0.0398","","","","0.0796","","","","","","1.004","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154371","10.9877","0.0018","10.2398","0.0016","12.339","0.002","90","","110.739","0.003","90","","1298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 Si -","- C24 H38 O6 Si -","- C48 H76 O12 Si2 -","2","1","","Shing, Tony K. M.; Cheng, Hau M.","Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.","Organic & biomolecular chemistry","2015","13","16","4795","4802","10.1039/c5ob00253b","","","0.71073","MoKα","","0.1071","0.0622","","","0.1516","0.1848","","","","","","1.008","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154372","11.7351","0.0014","10.1832","0.0012","14.5872","0.0018","90","","99.078","0.002","90","","1721.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 O2 -","- C20 H18 Cl2 O2 -","- C80 H72 Cl8 O8 -","4","1","","Subba Reddy, B. V.; Prudhvi Raju, N.; Someswarao, B.; Mohan Reddy, B. Jagan; Sridhar, B.; Marumudi, Kanakaraju; Kunwar, A. C.","A novel domino cyclization for the stereoselective synthesis of indeno[2,1-c]pyran and cyclopenta[c]pyran derivatives.","Organic & biomolecular chemistry","2015","13","16","4733","4736","10.1039/c5ob00376h","","","0.71073","MoKα","","0.0637","0.0518","","","0.1188","0.1258","","","","","","1.119","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154373","8.1768","0.00015","9.01871","0.00016","14.2224","0.001","90","","90","","90","","1048.82","0.08","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Fan, Lulu; Takizawa, Shinobu; Takeuchi, Yoshiki; Takenaka, Kazuhiro; Sasai, Hiroaki","Pd-catalyzed enantioselective intramolecular α-arylation of α-substituted cyclic ketones: facile synthesis of functionalized chiral spirobicycles.","Organic & biomolecular chemistry","2015","13","17","4837","4840","10.1039/c5ob00382b","","","1.54187","CuKα","","","0.0357","","","","0.119","","","","","","0.991","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154374","11.9606","0.0011","21.1995","0.0017","10.6937","0.0008","90","","109.815","0.005","90","","2550.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O6 -","- C26 H25 Cl N2 O6 -","- C104 H100 Cl4 N8 O24 -","4","1","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1152","0.0575","","","0.1679","0.2007","","","","","","1.051","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154375","12.3631","0.001","14.6129","0.0012","15.0199","0.0012","102.619","0.006","90.115","0.005","114.981","0.005","2386.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.09 H7.64 F1.09 N0.73 O2.18 -","- C9.09091 H7.63636 F1.09091 N0.727273 O2.18182 -","- C100 H84 F12 N8 O24 -","11","5.5","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1321","0.0742","","","0.2142","0.256","","","","","","1.067","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154376","9.3617","0.0002","13.1822","0.0002","14.7459","0.0003","90","","90","","90","","1819.76","0.06","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H17 Br N O5 S -","- C72 H68 Br4 N4 O20 S4 -","4","1","","Takechi, Ryosuke; Nishimura, Takahiro","Rhodium-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimines towards the synthesis of α,α-diaryl-α-amino acid derivatives.","Organic & biomolecular chemistry","2015","13","17","4918","4924","10.1039/c5ob00431d","","","1.54187","CuKα","","0.0383","0.0367","","","0.0906","0.0918","","","","","","1.077","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154377","7.9008","0.0016","9.2433","0.0018","12.558","0.003","90","","92.35","0.03","90","","916.3","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Li, Pei-Fang; Yi, Cheng-Bo; Qu, Jin","Hot water-promoted cyclopropylcarbinyl rearrangement facilitates construction of homoallylic alcohols.","Organic & biomolecular chemistry","2015","13","17","5012","5021","10.1039/c5ob00305a","","","0.71073","MoKα","","0.0546","0.0352","","","0.0798","0.0885","","","","","","0.941","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154378","10.182","0.003","19.806","0.007","8.31","0.003","90","","126.517","0.005","90","","1346.8","0.8","100","2","298","2","","","","","","","1-naphthylamine","3","C 1 c 1","C -2yc","9","3'd","2-methyl-3-phenyl-1H-benzo[g]indole","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze","Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.","Organic & biomolecular chemistry","2015","13","17","5022","5029","10.1039/c5ob00129c","","","0.71073","MoKα","","0.0348","0.0328","","","0.0829","0.0847","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154379","9.2763","0.0002","10.2244","0.0003","19.9092","0.0005","90","","94.243","0.002","90","","1883.1","0.08","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Liu, Ren-Rong; Ye, Shi-Chun; Lu, Chuan-Jun; Xiang, Bin; Gao, Jianrong; Jia, Yi-Xia","Au-catalyzed ring-opening reactions of 2-(1-alkynyl-cyclopropyl)pyridines with nucleophiles.","Organic & biomolecular chemistry","2015","13","17","4855","4858","10.1039/c5ob00523j","","","0.71073","MoKα","","0.054","0.0422","","","0.0972","0.1051","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154380","8.5053","0.0003","18.3634","0.0005","14.5843","0.0004","90","","106.636","0.002","90","","2182.52","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N O5 -","- C26 H18 Cl N O5 -","- C104 H72 Cl4 N4 O20 -","4","2","","Molleti, Nagaraju; Singh, Vinod K.","Highly enantioselective synthesis of naphthoquinones and pyranonaphthoquinones catalyzed by bifunctional chiral bis-squaramides.","Organic & biomolecular chemistry","2015","13","18","5243","5254","10.1039/c5ob00105f","","","0.71073","MoKα","","0.0438","0.0329","","","0.0939","0.1062","","","","","","1.23","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154381","5.4941","0.0002","24.8448","0.001","12.4135","0.0005","90","","102.044","0.004","90","","1657.14","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","","0.71073","MoKα","","0.0495","0.0397","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154382","6.1174","0.0004","11.805","0.0004","12.9211","0.0004","89.082","0.003","80.227","0.005","76.501","0.005","893.89","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0662","0.0512","","","0.131","0.1452","","","","","","1.02","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154383","5.6806","0.0005","12.4099","0.0009","12.5191","0.0009","89.497","0.004","79.611","0.004","78.354","0.004","849.85","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cl N -","- C22 H18 Cl N -","- C44 H36 Cl2 N2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","1.54184","CuKα","","0.0918","0.0788","","","0.2033","0.2178","","","","","","1.026","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154384","6.1195","0.0005","8.1503","0.0007","34.905","0.003","93.937","0.003","93.167","0.003","95.383","0.003","1725.8","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","2","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0868","0.0644","","","0.1598","0.1784","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154385","6.04042","0.00015","11.6602","0.0003","12.1628","0.0002","99.3522","0.0019","98.908","0.0019","101.371","0.002","813.07","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0468","0.0415","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154386","15.7471","0.0004","7.1137","0.0002","15.1029","0.0003","90","","94.492","0.001","90","","1686.63","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0486","0.0349","","","0.0824","0.0896","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154387","8.7022","0.0001","21.4243","0.0003","8.404","0.0001","90","","103.488","0.001","90","","1523.61","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0361","0.0303","","","0.0745","0.0782","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154388","13.088","0.005","9.287","0.005","16.183","0.005","90","0.005","103.796","0.005","90","0.005","1910.3","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H46 O12 -","- C39 H46 O12 -","- C78 H92 O24 -","2","1","","Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.; Sureshan, Kana M.","Triazolophostins: a library of novel and potent agonists of IP3 receptors.","Organic & biomolecular chemistry","2015","13","24","6698","6710","10.1039/c5ob00440c","","","0.71073","MoKα","","0.0788","0.065","","","0.1711","0.1905","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154389","10.992","0.004","11.214","0.004","11.305","0.004","102.215","0.005","104.067","0.005","108.292","0.005","1219.1","0.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0677","0.0525","","","0.1555","0.1652","","","","","","1.09","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154390","9.0418","0.0019","11.277","0.002","12.649","0.003","90","","110.94","","90","","1204.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 -","- C31 H22 N4 -","- C62 H44 N8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0469","0.038","","","0.0949","0.1191","","","","","","0.511","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154391","5.5916","0.0001","11.9281","0.0002","15.3677","0.0011","70.326","0.005","80.097","0.006","79.031","0.006","941.04","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Magpusao, Anniefer N.; Rutledge, Kelli; Mercado, Brandon Q.; Peczuh, Mark W.","Stereogenic α-carbons determine the shape and topology of [13]-macrodilactones.","Organic & biomolecular chemistry","2015","13","18","5086","5089","10.1039/c5ob00402k","","","1.54187","CuKα","","0.0317","0.0294","","","0.0735","0.0749","","","","","","1.073","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154392","9.1967","0.0005","10.3931","0.0007","19.4118","0.001","90","","90","","90","","1855.42","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0679","0.0608","","","0.1705","0.1803","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154393","8.981","0.0004","11.3115","0.0005","9.4917","0.0007","90","","112.099","0.007","90","","893.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0356","0.0352","","","0.0955","0.0962","","","","","","1.047","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154394","7.9598","0.0003","9.8111","0.0003","17.7241","0.0006","90","","90","","90","","1384.15","0.08","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((2R,3S,4R,5R,6S)-3,4-Dihydroxy-6-methoxy-5-(methylsulfonamido) tetrahydro-2H-pyran-2-yl)methyl sulfamate","","- C8 H18 N2 O9 S2 -","- C8 H18 N2 O9 S2 -","- C32 H72 N8 O36 S8 -","4","1","","Miller, Duncan C.; Carbain, Benoit; Beale, Gary S.; Alhasan, Sari F.; Reeves, Helen L.; Baisch, Ulrich; Newell, David R.; Golding, Bernard T.; Griffin, Roger J.","Regioselective sulfamoylation at low temperature enables concise syntheses of putative small molecule inhibitors of sulfatases.","Organic & biomolecular chemistry","2015","13","18","5279","5284","10.1039/c5ob00211g","","x-ray","0.71073","MoKα","","0.0277","0.026","","","0.0647","0.0667","","","","","","1.052","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154395","4.9159","0.0005","9.8984","0.0011","11.3114","0.0013","88.785","0.009","78.349","0.009","82.913","0.009","534.94","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C24 H18 N2 O6 -","2","1","","Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro","Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.","Organic & biomolecular chemistry","2015","13","19","5467","5474","10.1039/c5ob00435g","","","1.54184","CuKα","","0.1033","0.0724","","","0.2119","0.2766","","","","","","1.139","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154396","9.8399","0.0006","5.2999","0.0003","28.511","0.0016","90","","98.305","0.006","90","","1471.27","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0672","0.0483","","","0.1458","0.1651","","","","","","1.034","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154397","11.0565","0.0007","25.7976","0.0011","5.1911","0.0003","90","","103.206","0.007","90","","1441.51","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0849","0.0584","","","0.1641","0.1893","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154398","5.8502","0.0003","10.6878","0.0008","11.8197","0.0008","88.055","0.006","85.254","0.005","81.792","0.005","728.77","0.08","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0687","0.0568","","","0.1625","0.177","","","","","","1.04","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154399","6.9852","0.0005","8.4612","0.0007","13.1167","0.0009","73.977","0.007","81.811","0.006","78.873","0.007","727.84","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0614","0.0455","","","0.1217","0.1361","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154400","7.4859","0.0004","21.3424","0.0016","9.3008","0.0005","90","","90","","90","","1485.96","0.16","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0526","0.0437","","","0.108","0.116","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154401","11.7297","0.0005","8.2689","0.0005","34.713","0.002","90","","90","","90","","3366.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C144 H192 O40 -","8","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.1087","0.0737","","","0.1887","0.22","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154402","11.4719","0.0017","12.698","0.0019","13.003","0.0018","104.987","0.004","106.388","0.004","111.648","0.004","1543","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C68 H66 Cl2 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1682","0.0726","","","0.1897","0.2296","","","","","","1.034","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154403","12.3","0.002","9.3444","0.0017","27.632","0.005","90","","104.945","0.007","90","","3068.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C136 H132 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1657","0.0763","","","0.1334","0.1662","","","","","","1.043","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154404","11.583","0.002","11.842","0.002","12.658","0.002","101.756","0.005","108.305","0.005","110.254","0.005","1448.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O6 -","- C31 H28 Cl2 N2 O6 -","- C62 H56 Cl4 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.2263","0.0696","","","0.1159","0.1551","","","","","","0.956","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154405","7.5714","0.001","15.502","0.002","20.241","0.003","90","","90","","90","","2375.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.0873","0.0458","","","0.0931","0.106","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154406","12.0486","0.0015","19.463","0.002","13.053","0.0016","90","","106.16","0.002","90","","2940","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 F N2 O6 -","- C33 H33 F N2 O6 -","- C132 H132 F4 N8 O24 -","4","2","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1289","0.1072","","","0.2579","0.2921","","","","","","1.134","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154407","18.95","0.007","13.964","0.006","11.122","0.005","90","","90","","90","","2943","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O7 S -","- C33 H32 N2 O7 S -","- C132 H128 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1429","0.0623","","","0.1239","0.1563","","","","","","0.97","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154408","10.504","0.002","16.482","0.003","16.712","0.003","90","","90","","90","","2893.3","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl N2 O7 S -","- C30 H33 Cl N2 O7 S -","- C120 H132 Cl4 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1526","0.0726","","","0.1519","0.1832","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154409","11.703","0.0013","30.077","0.004","29.48","0.004","90","","93.181","0.003","90","","10361","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F N2 O11 -","- C37 H35 F N2 O11 -","- C444 H420 F12 N24 O132 -","12","3","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.0588","","","0.1038","0.1339","","","","","","1.001","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154410","10.5329","0.0012","10.6066","0.0011","19.252","0.002","104.723","0.003","97.305","0.003","107.595","0.003","1933.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 Cl N2 O10 -","- C34 H37 Cl N2 O10 -","- C68 H74 Cl2 N4 O20 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1233","0.0894","","","0.2795","0.2992","","","","","","1.112","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154411","15.9722","0.0018","8.9978","0.001","27.367","0.003","90","","94.485","0.004","90","","3921","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O10 -","- C44 H42 N2 O10 -","- C176 H168 N8 O40 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.067","","","0.1381","0.1756","","","","","","1.041","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154412","7.9805","0.0007","23.492","0.002","9.3323","0.0008","90","","112.494","0.002","90","","1616.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Wang, Lan-Zhi; Li, Xiao-Qing; An, Ying-Shuang","1,5-Benzodiazepine derivatives as potential antimicrobial agents: design, synthesis, biological evaluation, and structure-activity relationships.","Organic & biomolecular chemistry","2015","13","19","5497","5509","10.1039/c5ob00655d","","","0.71073","MoKα","","0.1192","0.0582","","","0.1427","0.1831","","","","","","1.014","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154413","9.807","0.005","22.782","0.011","10.81","0.005","90","","114.359","0.007","90","","2200.2","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O5 -","- C23 H22 Cl N O5 -","- C92 H88 Cl4 N4 O20 -","4","2","","Xue, Zhi-Yong; Song, Zhi-Min; Wang, Chun-Jiang","Cu(i)/TF-BiphamPhos-catalyzed asymmetric Michael addition of cyclic ketimino esters to alkylidene malonates.","Organic & biomolecular chemistry","2015","13","19","5460","5466","10.1039/c5ob00591d","","","0.71073","MoKα","","0.1441","0.0706","","","0.1427","0.1677","","","","","","1.038","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154414","9.043","0.002","10.807","0.002","13.279","0.003","106.641","0.005","90.549","0.005","107.25","0.005","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Cl3 N2 -","- C28 H19 Cl3 N2 -","- C56 H38 Cl6 N4 -","2","1","","Peng, Haibo; Yu, Jin-Tao; Jiang, Yan; Wang, Lei; Cheng, Jiang","Rhodium-catalyzed annulation between 2-arylimidazo[1,2-a]pyridines and alkynes leading to pyrido[1,2-a]benzimidazole derivatives.","Organic & biomolecular chemistry","2015","13","19","5354","5357","10.1039/c5ob00450k","","","0.71073","MoKα","","0.0962","0.0743","","","0.2302","0.2795","","","","","","1.135","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154415","16.9345","0.0013","22.9721","0.0013","10.3059","0.0007","90","","108.212","0.002","90","","3808.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C168 H160 F24 N8 O16 -","8","1","","Subba Reddy, B. V.; Muralikrishna, K.; Yadav, J. S.; Babu, N. Jagdeesh; Sirisha, K.; Sarma, A. V. S.","Tandem Prins/Wagner/Ritter process for the stereoselective synthesis of (3-oxabicyclo[4.2.0]octanyl)amide and (1-(5-aryltetrahydrofuran-3-yl)cyclobutyl)amide derivatives.","Organic & biomolecular chemistry","2015","13","19","5532","5536","10.1039/c5ob00031a","","","0.71073","MoKα","","0.1166","0.0978","","","0.1977","0.2084","","","","","","1.244","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154416","8.205","0.0005","10.6112","0.0006","10.8283","0.0006","90","","90","","90","","942.76","0.09","293.15","","293.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Wu, Jie; You, Qiulin; Lan, Jingbo; Guo, Qiang; Li, Xiaoyu; Xue, Ying; You, Jingsong","Cu-catalysed direct C-H (hetero)arylation of [1,2,4]triazolo[4,3-a]pyridine to construct deep-blue-emitting luminophores.","Organic & biomolecular chemistry","2015","13","19","5372","5375","10.1039/c5ob00552c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1161","0.1197","","","","","","1.069","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154417","9.958","0.002","10.5456","0.0008","11.151","0.004","72.1","0.2","84.9","0.2","69.76","0.17","1045.3","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O5 -","- C21 H17 Br2 N3 O5 -","- C42 H34 Br4 N6 O10 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective synthesis of chiral heterocycles containing both chroman and pyrazolone derivatives catalysed by a chiral squaramide.","Organic & biomolecular chemistry","2015","13","20","5636","5645","10.1039/c4ob02653e","","","0.71073","MoKα","","0.06","0.042","","","0.0988","0.105","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154418","8.7578","0.0004","10.8532","0.0006","18.2457","0.0009","90","","90","","90","","1734.26","0.15","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F4 O2 -","- C19 H16 F4 O2 -","- C76 H64 F16 O8 -","4","1","","Wang, Jingjing; Kong, Wei-Guang; Li, Feng; Liu, Jie; Shen, Qin; Liu, Lantao; Zhao, Wen-Xian","Silver salts and DBU cooperatively catalyzed nucleophilic addition/cyclization of propargylic alcohols with trifluoromethyl ketones.","Organic & biomolecular chemistry","2015","13","19","5399","5406","10.1039/c5ob00438a","","","1.54184","CuKα","","0.0438","0.039","","","0.097","0.1014","","","","","","1.038","","","","has coordinates","138855","2020-10-21","18:00:00",""
"7154419","10.907","0.0003","20.1115","0.0005","11.0941","0.0003","90","","99.508","0.003","90","","2400.13","0.11","180","0.14","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C108 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.","Organic & biomolecular chemistry","2015","13","22","6338","6343","10.1039/c5ob00702j","","","1.54184","CuKα","","0.063","0.0605","","","0.1619","0.1652","","","","","","1.059","","","","has coordinates,has disorder","138819","2020-10-21","18:00:00",""
"7154420","6.35","0.005","31.01","0.03","6.458","0.005","90","","112.526","0.013","90","","1174.6","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I -","- C13 H15 I -","- C52 H60 I4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0774","0.0442","","","0.0931","0.1018","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154421","6.201","0.005","30.714","0.005","6.35","0.005","90","","114.351","0.005","90","","1101.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br -","- C13 H15 Br -","- C52 H60 Br4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0519","0.036","","","0.0779","0.0865","","","","","","0.997","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154422","6.3915","0.0004","6.8582","0.0005","24.6067","0.0017","90","","94.259","0.007","90","","1075.64","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl -","- C13 H15 Cl -","- C52 H60 Cl4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0706","0.0439","","","0.0821","0.0959","","","","","","0.998","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154423","12.175","0.002","10.945","0.002","20.162","0.004","90","","91.26","0.03","90","","2686","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Zhu, Chunyin; Bi, Benwei; Ding, Ya; Zhang, Te; Chen, Qiu-Yun","A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts.","Organic & biomolecular chemistry","2015","13","22","6278","6285","10.1039/c5ob00630a","","","0.71073","MoKα","","0.0464","0.0386","","","0.0931","0.0978","","","","","","1.055","","","","has coordinates","138821","2020-10-21","18:00:00",""
"7154424","5.3827","0.0019","7.108","0.002","20.99","0.007","90","","97.301","0.006","90","","796.6","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl F4 N O2 -","- C15 H18 Cl F4 N O2 -","- C30 H36 Cl2 F8 N2 O4 -","2","1","","Ayoup, Mohammed Salah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine containing amino acids: synthesis and peptide coupling of amino acids containing the all-cis tetrafluorocyclohexyl motif.","Organic & biomolecular chemistry","2015","13","20","5621","5624","10.1039/c5ob00650c","","","1.54187","CuKα","","0.1193","0.0966","","","0.2465","0.2711","","","","","","0.978","","","","has coordinates","138832","2020-10-21","18:00:00",""
"7154425","8.1008","0.0019","9.745","0.002","18.18","0.004","90","","90","","90","","1435.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0555","0.0463","","","0.1326","0.142","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154426","9.6858","0.0009","9.9838","0.0006","15.1087","0.001","90","","90","","90","","1461.03","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0617","0.0576","","","0.1555","0.1614","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154427","5.8099","0.001","21.073","0.004","32.234","0.006","90","","90","","90","","3946.5","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C200 H136 Cl8 O24 -","8","2","","Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.","Organic & biomolecular chemistry","2015","13","24","6694","6697","10.1039/c5ob00859j","","","0.71073","MoKα","","0.0508","0.0477","","","0.0979","0.1","","","","","","1.086","","","","has coordinates","143747","2020-10-21","18:00:00",""
"7154428","32.082","0.011","9.634","0.003","22.744","0.008","90","","99.922","0.006","90","","6925","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C288 H272 Cl16 N32 O32 -","16","2","","Chandra Mohan, Darapaneni; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Copper-catalyzed aerobic oxidative amination of C(sp(3))-H bonds: synthesis of imidazo[1,5-a]pyridines.","Organic & biomolecular chemistry","2015","13","20","5602","5607","10.1039/c5ob00381d","","","0.71073","MoKα","","0.0773","0.0548","","","0.1378","0.1531","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154429","15.2039","0.0008","12.3888","0.0006","9.8162","0.0005","90","","98.113","0.002","90","","1830.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarinopyran pyrimidinedione","4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15, 17-tetraene-3,5,11-trione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan; Sivakumar, Nagappan; Malathi, Palani; Manikandan, Vasudevan","Stereoselective construction of functionalized tetracyclic and pentacyclic coumarinopyranpyrazole/pyrimidinedione/coumarin scaffolds using a solid-state melt reaction.","Organic & biomolecular chemistry","2015","13","20","5597","5601","10.1039/c5ob00442j","","","0.71073","MoKα","","0.0696","0.0479","","","0.1326","0.1598","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154430","7.1491","0.0006","9.2336","0.0009","10.4719","0.0009","91.207","0.004","97.28","0.003","90.918","0.003","685.42","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0546","0.0387","","","0.0991","0.1106","","","","","","1.073","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154431","15.8518","0.001","7.2952","0.0005","13.5752","0.0007","90","","106.043","0.003","90","","1508.72","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0795","0.0535","","","0.1443","0.1642","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154432","6.3743","0.0007","10.3034","0.0013","10.5322","0.0012","80.064","0.004","72.725","0.005","76.743","0.004","638.84","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0895","0.0524","","","0.1378","0.1706","","","","","","0.854","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154433","19.554","0.003","14.799","0.0017","7.5795","0.0009","90","","101.157","0.006","90","","2151.9","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1024","0.0502","","","0.0984","0.1253","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154434","14.347","0.002","7.3632","0.0011","13.382","0.002","90","","92.25","0.007","90","","1412.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1017","0.0526","","","0.1358","0.1724","","","","","","0.825","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154435","15.617","0.008","5.565","0.003","18.62","0.01","90","","113.024","0.005","90","","1489.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1994","0.0891","","","0.2575","0.3334","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154436","7.8554","0.0007","19.1071","0.0017","9.8166","0.0009","90","","112.458","0.002","90","","1361.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Pagar, Vinayak Vishnu; Liu, Rai-Shung","Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.","Organic & biomolecular chemistry","2015","13","22","6166","6169","10.1039/c5ob00696a","","","0.71073","MoKα","","0.0495","0.0387","","","0.0945","0.1013","","","","","","1.049","","","","has coordinates","138822","2020-10-21","18:00:00",""
"7154437","15.394","0.0017","13.3282","0.0013","18.339","0.002","90","","107.045","0.004","90","","3597.4","0.7","122.15","","122.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 N O3 -","- C47 H47 N O3 -","- C188 H188 N4 O12 -","4","1","","Plesner, Malene; Hensel, Thomas; Nielsen, Bjarne E.; Kamounah, Fadhil S.; Brock-Nannestad, Theis; Nielsen, Christian B.; Tortzen, Christian G.; Hammerich, Ole; Pittelkow, Michael","Synthesis and properties of unsymmetrical azatrioxa[8]circulenes.","Organic & biomolecular chemistry","2015","13","21","5937","5943","10.1039/c5ob00676g","","","0.71073","MoKα","","0.0644","0.0423","","","0.0968","0.1084","","","","","","1.012","","","","has coordinates","138844","2020-10-21","18:00:00",""
"7154438","10.2403","0.0009","12.1323","0.0011","12.4975","0.0012","90","","92.516","0.001","90","","1551.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F2 N O -","- C19 H14 B F2 N O -","- C76 H56 B4 F8 N4 O4 -","4","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.0739","0.0379","","","0.092","0.1122","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154439","9.2542","0.0008","9.8875","0.0009","14.4448","0.0013","109.354","0.002","102.882","0.001","95.386","0.001","1195.24","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 B N O -","- C31 H24 B N O -","- C62 H48 B2 N2 O2 -","2","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.1048","0.0511","","","0.1568","0.2173","","","","","","0.697","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154440","8.5374","0.0002","10.3276","0.0002","18.5918","0.0003","74.951","0.001","77.508","0.001","84.49","0.001","1544.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrrolo[3,2-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","2","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.076","0.0529","","","0.1125","0.1282","","","","","","1.054","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154441","5.9896","0.0001","11.3423","0.0002","11.1347","0.0002","90","","96.311","0.001","90","","751.86","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenyl)-2-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0543","0.0462","","","0.1014","0.1097","","","","","","1.061","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154442","8.9404","0.0003","19.2009","0.0005","9.662","0.0003","90","","92.373","0.001","90","","1657.19","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Naphthyl)-1-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0683","0.0512","","","0.121","0.1328","","","","","","1.067","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154443","9.181","0.004","9.395","0.004","27.281","0.011","90","","90","","90","","2353.1","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 N2 O3 S -","- C24 H24 Br2 N2 O3 S -","- C96 H96 Br8 N8 O12 S4 -","4","1","","Gui, Yong-Yuan; Yang, Jian; Qi, Liang-Wen; Wang, Xiao; Tian, Fang; Li, Xiao-Nian; Peng, Lin; Wang, Li-Xin","A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters.","Organic & biomolecular chemistry","2015","13","22","6371","6379","10.1039/c5ob00774g","","","0.71073","MoKα","","0.1828","0.1472","","","0.3251","0.346","","","","","","1.094","","","","has coordinates","138824","2020-10-21","18:00:00",""
"7154444","20.5153","0.0014","6.7406","0.0004","7.4148","0.0005","90","","90","","90","","1025.36","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-trichloro-1-(1H-indol-3-yl)ethan-1-one","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","0.5","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0321","0.0282","","","0.066","0.0691","","","","","","1.109","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154445","9.8736","0.0005","11.2992","0.0004","10.6096","0.0005","90","","98.358","0.005","90","","1171.08","0.09","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H8 Cl3 N O -","- C11 H8 Cl3 N O -","- C44 H32 Cl12 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0413","0.0303","","","0.065","0.0715","","","","","","1.059","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154446","5.9311","0.0003","10.5722","0.0004","13.4606","0.0006","90","","90","","90","","844.04","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-dichloro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one","","- C7 H7 Cl2 N O -","- C7 H7 Cl2 N O -","- C28 H28 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0231","0.0222","","","0.0559","0.0566","","","","","","1.098","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154447","6.9827","0.0004","11.0753","0.0006","14.6118","0.0011","90","","111.091","0.005","90","","1054.31","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-dichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H9 Cl2 N O -","- C11 H9 Cl2 N O -","- C44 H36 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0503","0.0401","","","0.0904","0.0987","","","","","","1.057","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154448","14.3029","0.0005","20.874","0.0009","20.909","0.0008","90","","90","","90","","6242.6","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-dichloro-3-hydroxy-3-(perfluorophenyl)-1-(p-tolyl)propan-1-one","","- C16 H9 Cl2 F5 O2 -","- C16 H9 Cl2 F5 O2 -","- C256 H144 Cl32 F80 O32 -","16","2","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0563","0.0387","","","0.0921","0.1044","","","","","","1.04","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154449","7.3186","0.0003","9.4938","0.0006","11.797","0.0007","83.481","0.005","89.534","0.004","76.102","0.004","790.37","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C17 H8 Cl2 F5 N O2 -","- C17 H8 Cl2 F5 N O2 -","- C34 H16 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0528","0.0392","","","0.0826","0.0911","","","","","","1.041","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154450","7.797","0.0006","9.7342","0.0007","12.022","0.001","91.836","0.007","97.659","0.006","109.698","0.007","848.48","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1-methyl-1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C18 H10 Cl2 F5 N O2 -","- C18 H10 Cl2 F5 N O2 -","- C36 H20 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0836","0.0481","","","0.0805","0.0945","","","","","","1.035","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154451","8.4691","0.0005","9.8694","0.0006","10.0248","0.0005","87.037","0.004","87.379","0.004","65.674","0.005","762.23","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C32 H26 Cl4 N2 O8 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0502","0.0388","","","0.1011","0.1101","","","","","","1.058","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154452","8.6111","0.0005","10.1757","0.0006","11.1365","0.0007","87.574","0.005","70.982","0.006","75.76","0.005","893.45","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethyl 2-(1,1-dichloro-2-(1-methyl-1H-indol-3-yl)-2-oxoethyl)-2-hydroxymalonate","","- C18 H19 Cl2 N O6 -","- C18 H19 Cl2 N O6 -","- C36 H38 Cl4 N2 O12 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0481","0.0365","","","0.0792","0.0879","","","","","","1.07","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154453","8.4445","0.0004","15.4187","0.0007","17.2259","0.0008","90","","90","","90","","2242.87","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R*,3R*)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propyl 4-nitrobenzoate","","- C23 H18 Cl2 N2 O7 -","- C23 H18 Cl2 N2 O7 -","- C92 H72 Cl8 N8 O28 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0492","0.04","","","0.0819","0.0879","","","","","","1.048","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154454","6.7051","0.0003","14.1443","0.0006","15.7774","0.0006","90","","101.326","0.004","90","","1467.17","0.11","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","(1R*,3R*)-1-(4-(tert-butyl)phenyl)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)propyl 4-nitrobenzoate","","- C27 H24 Cl5 N2 O7 -","- C27 H24 Cl5 N2 O7 -","- C54 H48 Cl10 N4 O14 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0388","0.0374","","","0.0925","0.0938","","","","","","1.025","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154455","8.4142","0.0004","21.2032","0.0008","8.5672","0.0004","90","","116.111","0.006","90","","1372.47","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(1-methyl-1H-pyrrol-2-yl)methanone","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0429","0.0369","","","0.0853","0.0888","","","","","","1.072","","","","has coordinates,has disorder","138836","2020-10-21","18:00:00",""
"7154456","15.66","0.002","7.1579","0.001","14.548","0.002","90","","113.366","0.004","90","","1497","0.4","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C64 H48 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0302","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154457","7.323","0.00009","12.09364","0.00016","15.09304","0.00016","90","","96.2048","0.001","90","","1328.84","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(phenyl)methanone","","- C15 H10 Cl N O4 -","- C15 H10 Cl N O4 -","- C60 H40 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0447","0.0328","","","0.0724","0.0779","","","","","","1.028","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154458","5.6122","0.0002","9.9184","0.0005","17.5824","0.001","102.312","0.005","94.807","0.004","102.041","0.004","926.69","0.08","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Hickey, Shane M.; Ashton, Trent D.; Khosa, Simren K.; Robson, Ryan N.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents.","Organic & biomolecular chemistry","2015","13","22","6225","6241","10.1039/c5ob00621j","","","0.7107","MoKα","","0.0563","0.0448","","","0.1025","0.111","","","","","","1.074","","","","has coordinates","138825","2020-10-21","18:00:00",""
"7154459","8.772","0.006","7.482","0.004","9.64","0.006","90","","113.568","0.015","90","","579.9","0.6","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C20 H30 N2 O12 -","2","1","","Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao","Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.","Organic & biomolecular chemistry","2015","13","19","5363","5366","10.1039/c5ob00708a","","","1.54178","CuKα","","0.0424","0.0394","","","0.1053","0.1075","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154460","9.9745","0.0019","13.598","0.004","14.519","0.003","62.086","0.003","69.92","0.002","84.326","0.003","1629.8","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 N2 O7 -","- C37 H36 N2 O7 -","- C74 H72 N4 O14 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.0676","0.0519","","","0.1334","0.1475","","","","","","1.033","","","","has coordinates","138846","2020-10-21","18:00:00",""
"7154461","10.251","0.008","14.38","0.011","19.976","0.016","72.13","0.009","88.557","0.01","69.446","0.009","2613","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H59 Cl3 N2 O10 -","- C55 H59 Cl3 N2 O10 -","- C110 H118 Cl6 N4 O20 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.1389","0.081","","","0.2225","0.252","","","","","","1.399","","","","has coordinates,has disorder","138846","2020-10-21","18:00:00",""
"7154462","11.088","0.002","18.565","0.004","13.258","0.003","90","","90","","90","","2729.1","1","133","2","133","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0565","0.0476","","","0.115","0.1215","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154463","16.519","0.006","12.951","0.005","17.522","0.006","90","","106.652","0.007","90","","3591","2","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F8 S -","- C21 H16 F8 S -","- C168 H128 F64 S8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0636","0.0468","","","0.123","0.1411","","","","","","1.099","","","","has coordinates","138838","2020-10-21","18:00:00",""
"7154464","7.7588","0.0003","5.5583","0.0002","12.2776","0.0006","90","","97.98","0.002","90","","524.35","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol","","- C11 H19 N O -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","","Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.","A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.","Organic & biomolecular chemistry","2015","13","28","7633","7642","10.1039/c5ob00525f","","","0.71073","MoKα","","0.0567","0.0445","","","0.1052","0.1097","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154465","11.8867","0.0003","12.5284","0.0006","13.0514","0.0004","79.096","0.004","89.444","0.002","77.23","0.005","1860.29","0.12","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C84 H100 N12 -","4","2","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0473","0.0452","","","0.1167","0.1186","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154466","16.449","0.0008","16.449","0.0008","8.4714","0.0004","90","","90","","90","","2292.1","0.19","223","2","223","2","","","","","","","","3","P -4","P -4","81","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0693","0.0592","","","0.1527","0.1621","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154467","12.9137","0.0005","14.1902","0.0004","14.606","0.0006","107.781","0.002","90.352","0.002","98.594","0.002","2516.23","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C126 H102 N18 O6 -","6","3","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0432","0.0381","","","0.1002","0.1046","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154468","14.6582","0.0009","17.3558","0.0012","7.0639","0.0007","90","","98.146","0.003","90","","1779","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 -","- C20 H16 Cl N3 -","- C80 H64 Cl4 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.0562","0.0411","","","0.1066","0.1121","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154469","8.9276","0.0002","9.0785","0.0002","16.8687","0.0003","90","","96.058","0.002","90","","1359.56","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.051","0.0442","","","0.1042","0.1107","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154470","7.7886","0.0002","9.935","0.0003","13.6151","0.0004","83.463","0.002","84.947","0.002","73.188","0.002","1000.26","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N3 O3 -","- C22 H22 Cl N3 O3 -","- C44 H44 Cl2 N6 O6 -","2","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0443","0.0362","","","0.0873","0.091","","","","","","1.053","","","","has coordinates,has disorder","138826","2020-10-21","18:00:00",""
"7154471","7.052","0.002","19.594","0.007","19.706","0.007","90","","90","","90","","2722.9","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mx3217","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C120 H80 Cl8 N24 O16 -","8","2","","Li, Gen; Feng, Xiangqing; Du, Haifeng","Palladium-catalyzed asymmetric allylic amination of racemic butadiene monoxide with isatin derivatives.","Organic & biomolecular chemistry","2015","13","20","5826","5830","10.1039/c5ob00663e","","","0.71073","MoKα","","0.0917","0.0766","","","0.1306","0.14","","","","","","1.135","","","","has coordinates","138839","2020-10-21","18:00:00",""
"7154472","11.205","0.003","11.346","0.003","13.093","0.004","108.312","0.003","90.218","0.003","112.482","0.003","1445.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 O2 S2 Si2 -","- C26 H40 O2 S2 Si2 -","- C52 H80 O4 S4 Si4 -","2","1","","Tarao, Asami; Tabuchi, Yukako; Sugimoto, Eri; Ikeda, Miki; Uchimoto, Hitomi; Arimitsu, Kenji; Kimura, Hiroyuki; Kawasaki, Ikuo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Nishide, Kiyoharu","A mechanistic investigation of anti-elimination in (Z)-1,2-bis(arylseleno)-1-alkenes and their sulfur analogs.","Organic & biomolecular chemistry","2015","13","21","5964","5971","10.1039/c5ob00490j","","","0.71073","MoKα","","0.0554","0.0411","","","0.0986","0.1064","","","","","","1.033","","","","has coordinates,has disorder","138848","2020-10-21","18:00:00",""
"7154473","12.939","0.003","6.3984","0.0013","11.757","0.003","90","","94.899","0.005","90","","969.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0594","0.0476","","","0.1205","0.1278","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154474","16.6489","0.0007","9.9633","0.0005","20.3053","0.0009","90","","109.201","0.0012","90","","3180.8","0.3","93","0.2","93","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKa","","0.0449","0.0356","","","0.0866","0.0921","","","","","","1.02","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7154475","24.3516","0.0013","7.983","0.0004","10.7485","0.0005","90","","101.346","0.0014","90","","2048.66","0.18","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0376","0.0339","","","0.0862","0.089","","","","","","1.024","","","","has coordinates","138849","2020-10-21","18:00:00",""
"7154476","11.5662","0.0007","10.3707","0.0007","18.8464","0.0012","90","","106.582","0.007","90","","2166.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.7107","MoKα","","0.063","0.0481","","","0.1143","0.1244","","","","","","1.044","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154477","8.265","0.0008","9.9045","0.0009","12.9392","0.0009","87.58","0.006","89.28","0.007","81.755","0.008","1047.31","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O2 -","- C26 H18 I N O2 -","- C52 H36 I2 N2 O4 -","2","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0693","0.0754","","","","","","1.053","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154478","7.7849","0.0001","22.0042","0.0004","17.4037","0.0003","90","","93.534","0.001","90","","2975.59","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F10 P -","- C32 H24 B F10 P -","- C128 H96 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0865","0.058","","","0.1256","0.1444","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154479","10.8338","0.0001","16.5708","0.0002","19.0605","0.0003","90","","91.147","0.001","90","","3421.15","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F13 O3 P S -","- C33 H25 B F13 O3 P S -","- C132 H100 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0722","0.0566","","","0.1264","0.1383","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154480","9.8988","0.0001","12.2385","0.0001","13.9479","0.0001","90.586","0.001","107.262","0.001","99.498","0.001","1588.36","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 B F10 P -","- C32 H26 B F10 P -","- C64 H52 B2 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0554","0.05","","","0.1519","0.1558","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154481","13.055","0.0005","18.7048","0.0008","15.4615","0.0006","90","","103.848","0.003","90","","3665.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F13 O3 P S -","- C33 H27 B F13 O3 P S -","- C132 H108 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0919","0.0534","","","0.1359","0.1536","","","","","","1.007","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154482","8.814","0.0003","24.0603","0.0008","14.3592","0.0004","90","","104.377","0.002","90","","2949.76","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 P -","- C32 H28 B F10 P -","- C128 H112 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0598","0.0574","","","0.1339","0.1352","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154483","11.2185","0.0002","11.8258","0.0002","15.1455","0.0003","90.266","0.001","108.687","0.001","103.129","0.001","1847.1","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B Cl2 F10 P -","- C40 H34 B Cl2 F10 P -","- C80 H68 B2 Cl4 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0776","0.0604","","","0.1437","0.1582","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154484","18.0651","0.0003","10.2032","0.0001","23.1974","0.0004","90","","107.174","0.001","90","","4085.14","0.11","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 B F13 O3 P S -","- C40 H33 B F13 O3 P S -","- C160 H132 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1025","0.072","","","0.1763","0.1941","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154485","14.7699","0.0005","16.8329","0.0005","17.5277","0.0007","90","","99.02","0.002","90","","4303.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C176 H108 B8 F80 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0569","0.0441","","","0.1168","0.1242","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154486","11.7085","0.0002","20.9557","0.0004","17.8664","0.0003","90","","107.975","0.001","90","","4169.73","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 B2 F20 O P -","- C45 H27 B2 F20 O P -","- C180 H108 B8 F80 O4 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1057","0.0669","","","0.132","0.156","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154487","8.8516","0.0003","9.08","0.0004","11.1409","0.0008","90","","108.971","0.008","90","","846.79","0.09","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Si, Debjani; Peczuh, Mark W.","Synthesis, structure and reactivity of [15]-macrodilactones.","Organic & biomolecular chemistry","2015","13","23","6463","6467","10.1039/c5ob00809c","","","1.54187","CuKα","","0.0296","0.0251","","","0.0597","0.0623","","","","","","1.066","","","","has coordinates","138853","2020-10-21","18:00:00",""
"7154488","9.2824","0.0005","10.8659","0.0006","14.2839","0.0007","109.87","0.003","103.464","0.002","98.966","0.003","1273.46","0.12","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br Cl N O4 -","- C30 H21 Br Cl N O4 -","- C60 H42 Br2 Cl2 N2 O8 -","2","1","","Zhang, Shao-Yun; Ruan, Gui-Yu; Geng, Zhi-Cong; Li, Nai-Kai; Lv, Ming; Wang, Yong; Wang, Xing-Wang","Organocatalytic regioselective asymmetric Michael addition of azlactones to o-hydroxy chalcone derivatives.","Organic & biomolecular chemistry","2015","13","20","5698","5709","10.1039/c5ob00121h","","","0.71073","MoKα","","0.0717","0.046","","","0.1069","0.115","","","","","","1.031","","","","has coordinates","138842","2020-10-21","18:00:00",""
"7154489","8.6637","0.0007","15.5478","0.0012","11.0472","0.0009","90","","90","","90","","1488.1","0.2","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran","An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.","Organic & biomolecular chemistry","2015","13","24","6737","6741","10.1039/c5ob00518c","","","0.71073","MoKα","","0.0509","0.0489","","","0.1088","0.1099","","","","","","1.263","","","","has coordinates","143750","2020-10-21","18:00:00",""
"7154490","23.7902","0.0019","30.832","0.002","43.42","0.003","90","","90","","90","","31849","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB7","CB7","","- C56 H103 I2 N30 O29.5 -","- C56 H92 I2 N30 O29.535 -","- C896 H1472 I32 N480 O472.56 -","16","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.053","0.0404","","","0.1026","0.1117","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154491","35.892","0.003","13.475","0.001","34.752","0.003","90","","90","","90","","16808","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","CB7-guest","CB7-guest","","- C60 H98 F6 N30 O36 S2 -","- C60 H66 F6 N30 O35.0695 S2 -","- C480 H528 F48 N240 O280.556 S16 -","8","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.0859","0.0779","","","0.1595","0.1638","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154492","5.947","0.003","7.118","0.003","32.87","0.011","90","","90","","90","","1391.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric intramolecular aza-Henry reaction: facile synthesis of trans-2,3-disubstituted tetrahydroquinolines.","Organic & biomolecular chemistry","2015","13","24","6825","6831","10.1039/c5ob00795j","","","0.71073","MoKα","","0.0801","0.0385","","","0.0949","0.1243","","","","","","1.024","","","","has coordinates","143749","2020-10-21","18:00:00",""
"7154493","5.14008","0.00006","9.60877","0.00009","18.4697","0.0002","90","","90","","90","","912.216","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N O6 S -","- C6 H13 N O6 S -","- C24 H52 N4 O24 S4 -","4","1","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","x-ray","0.71073","MoKα","","0.0293","0.0266","","","0.0799","0.0819","","","","","","1.172","","","","has coordinates","138852","2020-10-21","18:00:00",""
"7154494","4.709","0.0009","38.306","0.008","11.942","0.002","90","","90.36","0.03","90","","2154.1","0.7","120","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1008","0.084","","","0.2101","0.2231","","","","","","1.127","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154495","5.094","0.001","12.212","0.002","30.472","0.006","96.75","0.03","94.01","0.03","92.39","0.03","1875.5","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C30 H66 N4 O13 S2 -","- C30 H66 N4 O13 S2 -","- C60 H132 N8 O26 S4 -","2","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1915","0.1302","","","0.3225","0.3624","","","","","","1.102","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154496","16.1194","0.0003","8.0643","0.00015","16.6212","0.0003","90","","118.785","0.0007","90","","1893.64","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-phenylthio-N-(quinolin-8-yl)benzamide","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0412","","","","0.1013","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154497","7.84222","0.00014","10.50484","0.00019","12.7128","0.0003","98.844","0.001","95.2486","0.0011","107.102","0.001","978.67","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(quinolin-8-yl)benzamide","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C48 H40 N4 O6 S2 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0438","","","","0.1903","","","","","","1.075","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154498","10.2496","0.00019","10.78136","0.00019","13.5184","0.0003","65.7836","0.001","78.6515","0.0011","89.8471","0.0012","1330.66","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(5-(4-methylbenzenesulfonyl)quinolin-8-yl)benzamide","","- C31 H26 N2 O5 S2 -","- C31 H26 N2 O5 S2 -","- C62 H52 N4 O10 S4 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0403","","","","0.1212","","","","","","1.11","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154499","7.2995","0.0004","8.9313","0.0004","23.2132","0.0012","90","","90.8321","0.0017","90","","1513.2","0.13","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-(methylsulfanyl)-N-(quinolin-8-yl)benzamide","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","","0.71075","MoKα","","","0.0416","","","","0.109","","","","","","1.07","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154500","13.9327","0.0012","5.8545","0.0005","18.9127","0.0015","90","","109.456","0.005","90","","1454.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Nath, Utpal; Banerjee, Ankush; Ghosh, Bidhan; Pan, Subhas Chandra","Organocatalytic asymmetric Michael addition of 1-acetylcyclohexene and 1-acetylcyclopentene to nitroolefins.","Organic & biomolecular chemistry","2015","13","25","7076","7083","10.1039/c5ob00878f","","","0.71073","MoKα","","0.1735","0.0901","","","0.1455","0.1667","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154501","7.4874","0.0006","7.3181","0.0004","15.1101","0.0013","90","","103.139","0.005","90","","806.26","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0534","0.0454","","","0.1092","0.1164","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154502","7.9192","0.0002","14.304","0.0009","14.6004","0.0009","90","","90","","90","","1653.88","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0431","0.0399","","","0.0998","0.1029","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154503","9.1457","0.0004","21.3132","0.0009","9.5797","0.0004","90","","111.479","0.0012","90","","1737.63","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6b","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0398","0.0337","","","0.0879","0.0911","","","","","","1.116","","","","has coordinates","143737","2020-10-21","18:00:00",""
"7154504","10.3443","0.0005","9.3521","0.0004","17.9838","0.0008","90","","96.879","0.0015","90","","1727.25","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2a","","- C19 H17 N O S2 -","- C19.003 H17.006 N1.001 O S2 -","- C76.012 H68.024 N4.004 O4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0488","0.0375","","","0.0949","0.1039","","","","","","1.108","","","","has coordinates,has disorder","143737","2020-10-21","18:00:00",""
"7154505","12.8835","0.0011","13.3978","0.0011","15.0065","0.0012","74.581","0.004","88.333","0.004","85.714","0.004","2490","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F20 N5 O -","- C46 H15 F20 N5 O -","- C92 H30 F40 N10 O2 -","2","1","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.092","0.057","","","0.1443","0.1585","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154506","16.142","0.002","16.546","0.002","18.655","0.002","72.9","0.007","88.417","0.007","85.613","0.006","4748.2","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F18 N5 O -","- C46 H15 F18 N5 O -","- C184 H60 F72 N20 O4 -","4","2","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.128","0.0706","","","0.1919","0.2129","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154507","9.835","0.004","10.412","0.004","10.568","0.004","90","","97.195","0.006","90","","1073.7","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B N O2 -","- C25 H30 B N O2 -","- C50 H60 B2 N2 O4 -","2","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.0909","0.0537","","","0.0798","0.0903","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154508","13.048","0.002","10.7891","0.0019","12.787","0.002","90","","112.161","0.002","90","","1667.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B N O4 -","- C18 H20 B N O4 -","- C72 H80 B4 N4 O16 -","4","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.074","0.0634","","","0.1492","0.1547","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154509","21.3422","0.0005","8.1975","0.0002","8.0145","0.0002","90","","90","","90","","1402.16","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Dichloro-3,5-diphenylpyridine","","- C17 H11 Cl2 N -","- C17 H11 Cl2 N -","- C68 H44 Cl8 N4 -","4","0.5","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0269","0.0255","","","0.0683","0.07","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154510","14.577","0.0003","10.7855","0.0003","7.6172","0.0002","90","","102.298","0.001","90","","1170.1","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2,6-dichloro-5-(4-tolyl)pyridine","","- C12 H8 Br Cl2 N -","- C12 H8 Br Cl2 N -","- C48 H32 Br4 Cl8 N4 -","4","1","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0264","0.0212","","","0.0528","0.0547","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154511","8.5739","0.0012","8.8346","0.0011","12.8819","0.0017","85.544","0.003","78.226","0.003","80.599","0.003","941.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Probe5","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C42 H40 N12 O2 -","2","1","","Mishra, Pratryush Kumar; Saha, Tanmoy; Talukdar, Pinaki","Hydrogen sulfide mediated cascade reaction forming an iminocoumarin: applications in fluorescent probe development and live-cell imaging.","Organic & biomolecular chemistry","2015","13","27","7430","7436","10.1039/c5ob00785b","","","0.71073","MoKα","","0.0672","0.0424","","","0.1241","0.1429","","","","","","0.947","","","","has coordinates","143752","2020-10-21","18:00:00",""
"7154512","7.9698","0.0013","11.8816","0.0019","18.669","0.003","92.975","0.002","96.585","0.002","104.742","0.002","1692.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N O2 S2 -","- C42 H35 N O2 S2 -","- C84 H70 N2 O4 S4 -","2","1","","Li, Ziyong; Han, Xie; Chen, Haiyan; Wu, Di; Hu, Fang; Liu, Sheng Hua; Yin, Jun","Construction of photoswitchable rotaxanes and catenanes containing dithienylethene fragments.","Organic & biomolecular chemistry","2015","13","26","7313","7322","10.1039/c5ob00864f","","","0.71073","MoKα","","0.0593","0.0475","","","0.1466","0.177","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154513","9.4761","0.0003","6.4856","0.0002","19.7055","0.0006","90","","113.13","0.002","90","","1113.71","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","1.54178","CuKα","","0.0725","0.0697","","","0.1829","0.1866","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154514","13.5756","0.0009","6.3249","0.0002","21.7126","0.0014","90","","103.223","0.002","90","","1814.91","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 2 allyl","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1676","0.0905","","","0.1933","0.24","","","","","","1.116","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154515","12.237","0.01","13.706","0.011","10.137","0.008","90","","110.864","0.016","90","","1589","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 1 CH3 allyl COPh PG RB","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1561","0.076","","","0.1989","0.2321","","","","","","1.037","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154516","6.59","0.001","14.579","0.001","25.484","0.001","90","","90","","90","","2448.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Lenci, Elena; Innocenti, Riccardo; Menchi, Gloria; Faggi, Cristina; Trabocchi, Andrea","Two-step one-pot synthesis of dihydropyrazinones as Xaa-Ser dipeptide isosteres through morpholine acetal rearrangement.","Organic & biomolecular chemistry","2015","13","25","7013","7019","10.1039/c5ob00783f","","","1.54178","CuKα","","0.1352","0.108","","","0.2858","0.3385","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154517","12.699","0.0004","9.0798","0.0003","16.4608","0.0005","90","","101.323","0.001","90","","1861.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-fluorophenyl)-8-methyl-4-(phenylamino)pyrano[3',4':5,6]pyrano[2,3-d]pyrimidin-6(5H)-one","","- C23 H16 F N3 O3 -","- C23 H16 F N3 O3 -","- C92 H64 F4 N12 O12 -","4","1","","Suresh, Lingala; Poornachandra, Y.; Kanakaraju, S.; Ganesh Kumar, C.; Chandramouli, G. V. P.","One-pot three-component domino protocol for the synthesis of novel pyrano[2,3-d]pyrimidines as antimicrobial and anti-biofilm agents.","Organic & biomolecular chemistry","2015","13","26","7294","7306","10.1039/c5ob00693g","","","0.71073","MoKα","","0.0736","0.0443","","","0.1191","0.1442","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154518","10.476","0.0001","8.883","0.0001","18.154","0.0002","90","","90","","90","","1689.38","0.03","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C68 H56 Br4 N4 O20 S4 -","4","1","","De Munck, Lode; Monleón, Alicia; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective alkynylation of benzo[e][1,2,3]-oxathiazine 2,2-dioxides catalysed by (R)-VAPOL-Zn complexes: synthesis of chiral propargylic cyclic sulfamidates.","Organic & biomolecular chemistry","2015","13","27","7393","7396","10.1039/c5ob01012h","","","0.71073","MoKα","","0.0404","0.0285","","","0.0799","0.1","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154519","28.643","0.006","11.259","0.002","19.703","0.004","90","","90.2","0.03","90","","6354","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H39.5 Cl N2 O1.25 -","- C39 H39 Cl N2 O1.25 -","- C312 H312 Cl8 N16 O10 -","8","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0919","0.0672","","","0.1703","0.187","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154520","11.315","0.002","11.329","0.002","17.137","0.003","77.58","0.03","83.63","0.03","66.83","0.03","1971.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H45 Cl4 N2 Rh -","- C44.5 H42 Cl4 N2 Rh -","- C89 H84 Cl8 N4 Rh2 -","2","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0965","0.0594","","","0.1428","0.2094","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154521","15.6931","0.0003","21.8725","0.0004","5.0383","0.0001","90","","90","","90","","1729.38","0.06","133","2","133","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0881","0.0946","","","","","","1.164","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154522","5.7917","0.0003","15.4852","0.0007","18.6976","0.0009","90","","90","","90","","1676.91","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0309","0.0296","","","0.0749","0.0759","","","","","","1.031","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154523","19.775","0.006","18.874","0.008","16.723","0.004","90","","114.545","0.015","90","","5678","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-DEM-3NO2-TtBuPCorrCu","","","- C57.65 H57.65 Cl4.94 Cu N5 O6 -","- C57.647 H57.647 Cl4.941 Cu N5 O6 -","- C230.588 H230.588 Cl19.764 Cu4 N20 O24 -","4","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.1248","0.0742","","","0.1916","0.2211","","","","","","1.026","","","","has coordinates,has disorder","138463","2020-10-21","18:00:00",""
"7154524","10.989","0.003","12.217","0.0018","18.019","0.003","95.03","0.01","107.036","0.015","91.279","0.007","2301.1","0.8","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl3 Cu N5 O3 -","- C52 H51 Cl3 Cu N5 O3 -","- C104 H102 Cl6 Cu2 N10 O6 -","2","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.0936","0.0676","","","0.1878","0.2056","","","","","","1.048","","","","has coordinates","138463","2020-10-21","18:00:00",""
"7154525","20.3839","0.0014","6.2114","0.0003","25.511","0.0016","90","","97.442","0.006","90","","3202.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.54184","CuKα","","0.0773","0.0649","","","0.173","0.1856","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154526","6.2083","0.0002","12.6788","0.0005","21.052","0.0009","90","","91.476","0.003","90","","1656.53","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","0.71073","MoKα","","0.1318","0.0781","","","0.1221","0.1385","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154527","8.744","0.0003","10.4501","0.0004","20.1688","0.0006","100.027","0.003","98.395","0.003","104.657","0.003","1720.44","0.11","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C76 H100 N4 O12 -","2","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.5418","CuKα","","0.0451","0.0417","","","0.1187","0.1229","","","","","","1.042","","","","has coordinates","143755","2020-10-21","18:00:00",""
"7154528","7.071","0.003","30.185","0.011","12.789","0.005","90","","93.497","0.006","90","","2724.6","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-phenylpyridine derived five-membered manganacycle","","- C15 H8 Mn N O4 -","- C15 H8 Mn N O4 -","- C120 H64 Mn8 N8 O32 -","8","2","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.0666","0.0557","","","0.1381","0.145","","","","","","1.112","","","","has coordinates","143756","2020-10-21","18:00:00",""
"7154529","7.77818","0.00014","13.158","0.0003","16.9759","0.0003","90","","90","","90","","1737.4","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bypro179a","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.034","","","","0.0671","","","","","","1.084","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154530","7.63463","0.00014","11.4385","0.0002","19.919","0.0004","90","","90","","90","","1739.5","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","179","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.0455","","","","0.0952","","","","","","1.008","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154531","11.917","0.003","15.959","0.004","25.657","0.005","72.399","0.015","76.618","0.015","71.646","0.012","4364.2","1.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Br2 O2 Si2 -","- C46 H42 Br2 O2 Si2 -","- C184 H168 Br8 O8 Si8 -","4","2","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.0906","0.0741","","","0.1773","0.1898","","","","","","1.087","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154532","11.361","0.005","12.402","0.005","15.056","0.005","72.031","0.018","82.67","0.02","89.49","0.03","2000.4","1.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 O3 Si2 -","- C49 H44 O3 Si2 -","- C98 H88 O6 Si4 -","2","1","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.148","0.1175","","","0.3062","0.3362","","","","","","1.114","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154533","8.6074","0.0005","9.9108","0.0005","15.7203","0.0009","80.998","0.003","89.343","0.003","78.842","0.003","1299.24","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C64 H56 N8 O4 -","2","1","","Sun, Yan-Hua; Xiong, Yu; Peng, Chu-Qin; Li, Wu; Xiao, Jun-An; Yang, Hua","Highly stereoselective construction of novel dispirooxindole-imidazolidines via self-1,3-dipolar cyclization of ketimines.","Organic & biomolecular chemistry","2015","13","29","7907","7910","10.1039/c5ob00954e","","","0.71073","MoKα","","0.0586","0.0482","","","0.1324","0.1422","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154534","9.2098","0.0001","8.357","0.0001","14.8849","0.0002","90","","105.378","0.001","90","","1104.62","0.02","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C56 H56 N4 -","2","1","","Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng","Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.","Organic & biomolecular chemistry","2015","13","29","7993","8000","10.1039/c5ob00815h","","","1.54178","CuKα","","0.0446","0.044","","","0.1186","0.1193","","","","","","1.049","","","","has coordinates","153276","2020-10-21","18:00:00",""
"7154535","6.6012","0.0004","8.1654","0.0006","19.8307","0.0013","84.197","0.005","84.853","0.005","85.592","0.005","1056.66","0.12","190","2","190","2","","","","","","","fungus Chaunopycnis sp.","4","P 1","P 1","1","","chaunolidine C","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","2","","Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.","Organic & biomolecular chemistry","2015","13","28","7795","7802","10.1039/c5ob01058f","","x-ray","1.54184","CuKα","","0.092","0.0658","","","0.1664","0.1858","","","","","","1.031","","","","has coordinates","143758","2020-10-21","18:00:00",""
"7154536","10.554","0.002","12.782","0.003","12.959","0.003","79.295","0.004","67.9","0.004","76.462","0.004","1565.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O3 P2 -","- C34 H26 O3 P2 -","- C68 H52 O6 P4 -","2","1","","Hu, Gaobo; Zhang, Yun; Su, Jue; Li, Zezhou; Gao, Yuxing; Zhao, Yufen","Ag-mediated cascade decarboxylative coupling and annulation: a convenient route to 2-phosphinobenzo[b]phosphole oxides.","Organic & biomolecular chemistry","2015","13","30","8221","8231","10.1039/c5ob00959f","","","0.71073","MoKα","","0.0576","0.0519","","","0.1347","0.1387","","","","","","1.084","","","","has coordinates","153265","2020-10-21","18:00:00",""
"7154537","9.8463","0.0002","9.1987","0.0002","18.7908","0.0005","90","","92.473","0.001","90","","1700.36","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O5 S Si -","- C15 H17 N O5 S Si -","- C60 H68 N4 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0402","0.0358","","","0.0977","0.1011","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154538","13.5825","0.0003","10.5322","0.0002","12.858","0.0003","90","","101.968","0.002","90","","1799.4","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O7 S Si -","- C15 H16 N2 O7 S Si -","- C60 H64 N8 O28 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0437","0.0367","","","0.0961","0.1016","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154539","5.3555","0.0006","12.807","0.0014","16.0563","0.0015","90","","96.773","0.008","90","","1093.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.5418","CuKα","","0.0968","0.0703","","","0.1827","0.2202","","","","","","1.036","","","","has coordinates","153279","2020-10-21","18:00:00",""
"7154540","20.5236","0.0009","7.6948","0.0003","18.8253","0.0009","90","","96.529","0.002","90","","2953.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C144 H108 N12 O36 -","12","3","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0465","0.0441","","","0.1187","0.1211","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154541","13.2148","0.0002","10.9938","0.0002","12.0527","0.0002","90","","111.879","0.001","90","","1624.91","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 S Si -","- C14 H16 N2 O5 S Si -","- C56 H64 N8 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0313","0.0289","","","0.0791","0.0807","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154542","15.6137","0.0004","7.7484","0.0002","21.2252","0.0005","90","","110.192","0.001","90","","2410.03","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","2","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0475","0.0448","","","0.1116","0.1131","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154543","7.4947","0.0011","13.0618","0.0018","21.098","0.003","90","","90","","90","","2065.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-methyl-3-nitropyrazolo[1,5-a]quinoline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0876","0.084","","","0.1622","0.1637","","","","","","1.399","","","","has coordinates","153266","2020-10-21","18:00:00",""
"7154544","7.1508","0.001","9.6154","0.0014","10.0654","0.0014","82.965","0.002","70.019","0.002","87.23","0.002","645.5","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,10-dimethyl-3-nitro-10H-pyrazolo[1',5':1,6]pyrido[2,3-b]indole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0666","0.0568","","","0.1339","0.1411","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154545","8.7342","0.0002","12.9336","0.0003","27.4037","0.0005","90","","90","","90","","3095.65","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AntValA2DNS","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","","Saura, A. Vanessa; Marín, María J; Burguete, M. Isabel; Russell, David A.; Galindo, Francisco; Luis, Santiago V.","The synthesis of new fluorescent bichromophoric compounds as ratiometric pH probes for intracellular measurements.","Organic & biomolecular chemistry","2015","13","28","7736","7749","10.1039/c5ob00704f","","x-ray","1.54184","CuKα","","0.0321","0.0312","","","0.0838","0.0847","","","","","","1.039","","","","has coordinates","143762","2020-10-21","18:00:00",""
"7154546","8.42","0.0012","10.1497","0.0007","11.203","0.0017","66.531","0.011","88.054","0.012","88.057","0.01","877.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 4-((2-bromophenyl)amino)quinoline-2,3-dicarboxylate","","- C19 H16 Br N2 O4 -","- C19 H16 Br N2 O4 -","- C38 H32 Br2 N4 O8 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","0.71073","MoKα","","0.0717","0.0453","","","0.1068","0.1224","","","","","","1.032","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154547","19.3579","0.0011","10.6509","0.0006","16.8297","0.0014","90","","94.958","0.007","90","","3456.9","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminoquinoline","dimethyl 4-(benzylamino)quinoline-2,3-dicarboxylate","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","1.5418","CuKα","","0.0888","0.0564","","","0.1409","0.1702","","","","","","0.934","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154548","17.4761","0.0005","8.0976","0.0002","22.1564","0.0007","90","","111.715","0.001","90","","2912.95","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F2 N5 O8 S -","- C31 H24 B F2 N5 O8 S -","- C124 H96 B4 F8 N20 O32 S4 -","4","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.0448","0.0434","","","0.1142","0.1156","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154549","14.8291","0.0004","12.6719","0.0003","21.3493","0.0006","90","","90","","90","","4011.81","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H17 B Br Cl2 F2 N3 O2 -","- C19 H17 B Br F2 N3 O2 -","- C152 H136 B8 Br8 F16 N24 O16 -","8","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.2562","0.2522","","","0.6214","0.6287","","","","","","6.502","","","","has coordinates","153261","2020-10-21","18:00:00",""
"7154550","8.1907","0.0016","9.4346","0.0019","32.024","0.006","90","","93.32","0.03","90","","2470.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.114","0.0756","","","0.146","0.1663","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154551","11.299","0.002","11.724","0.002","14.051","0.003","104.1","0.03","103.64","0.03","108.92","0.03","1604","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C72 H72 N8 O6 S2 -","2","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.064","0.0554","","","0.1522","0.1607","","","","","","1.051","","","","has coordinates","153263","2020-10-21","18:00:00",""
"7154552","10.1192","0.0002","11.3017","0.0002","25.1913","0.0005","90","","97.8403","0.0009","90","","2854.05","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol","","- C37 H36 O3 S -","- C36.154 H34.308 O2.718 S -","- C144.616 H137.232 O10.872 S4 -","4","1","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0874","0.0522","","","0.1261","0.1429","","","","","","1.036","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154553","11.9644","0.0003","12.3239","0.0004","13.9643","0.0005","86.2826","0.001","65.3443","0.0012","88.544","0.003","1867.35","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,1'-(4,4'-(2-(Hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))diethanone","","- C23 H20 O5 S -","- C22.6625 H19.325 O4.7795 S -","- C90.65 H77.3 O19.118 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0955","0.0585","","","0.1405","0.1575","","","","","","1.022","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154554","10.864","0.002","10.911","0.002","30.296","0.006","86.07","0.03","88.87","0.03","62.68","0.03","3182.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-((5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)acetic acid","","- C39 H38 O5 S -","- C39 H38 O5 S -","- C156 H152 O20 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.1368","0.1028","","","0.2286","0.2503","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154555","7.8734","0.0002","17.4148","0.0005","14.5347","0.0004","90","","91.013","0.003","90","","1992.59","0.09","125","30","125","30","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H38 N O15 -","- C43 H38 N4 O15 -","- C86 H76 N8 O30 -","2","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","","0.71073","MoKα","","0.0554","0.0454","","","0.1004","0.1087","","","","","","1.131","","","","has coordinates","204143","2020-10-21","18:00:00",""
"7154556","9.3233","0.0006","10.2871","0.0008","26.846","0.002","90","","90","","90","","2574.8","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O5 -","- C29 H34 O5 -","- C116 H136 O20 -","4","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","x-ray","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1273","","","","","","1.028","","","","has coordinates","153280","2020-10-21","18:00:00",""
"7154557","7.4496","0.0001","11.1966","0.0001","26.6185","0.0002","90","","90","","90","","2220.25","0.04","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-((S,E)-4-iodobut-3-en-2-yl)-3-methoxy-5-methyltetrahydro-2H-pyran-2-one","","- C17 H16 I O4 Si -","- C17 H16 I O4 Si -","- C68 H64 I4 O16 Si4 -","4","1","","Lu, Hai-Hua; Hinkelmann, Bettina; Tautz, Thomas; Li, Jun; Sasse, Florenz; Franke, Raimo; Kalesse, Markus","Paleo-soraphens: chemical total syntheses and biological studies.","Organic & biomolecular chemistry","2015","13","29","8029","8036","10.1039/c5ob01249j","","","1.54187","CuKα","","0.0636","0.0524","","","0.1471","0.154","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154558","7.73264","0.00017","8.92045","0.00017","20.1079","0.0004","90","","90","","90","","1387.02","0.05","173","0.3","173","0.3","","","","","","","Curcuma phaeocaulis Valeton","3","P 21 21 21","P 2ac 2ab","19","(1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione","phasalvione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng","Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.","Organic & biomolecular chemistry","2015","13","30","8349","8358","10.1039/c5ob00964b","","x-ray","1.54184","CuKα","","0.0296","0.029","","","0.0775","0.0781","","","","","","1.046","","","","has coordinates","153262","2020-10-21","18:00:00",""
"7154559","16.4668","0.001","19.1843","0.0012","21.8267","0.0013","90","","110.312","0.002","90","","6466.4","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cl4 N26 O23 Zn -","- C42 H56 Cl4 N26 O17 Zn -","- C168 H224 Cl16 N104 O68 Zn4 -","4","1","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.0953","0.0751","","","0.2273","0.2428","","","","","","1.02","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7154560","23.4746","0.0018","10.5039","0.0008","15.455","0.002","90","","129.108","0.002","90","","2957","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H58 Cl4 N26 O18 Zn -","- C42 H44 Cl4 N26 O12 Zn -","- C84 H88 Cl8 N52 O24 Zn2 -","2","0.25","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.1063","0.093","","","0.2908","0.3129","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154561","6.8274","0.0002","8.3498","0.0002","14.5138","0.0004","90.1471","0.001","101.323","0.001","107.632","0.0009","771.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C34 H30 Br2 N4 O2 -","2","1","","Manna, Susanta Kumar; Mandal, Arabinda; Mondal, Suresh Kumar; Adak, Arup Kr; Jana, Akash; Das, Somnath; Chattopadhyay, Sourav; Roy, Somenath; Ghorai, Shyamal Kr; Samanta, Shubhankar; Hossain, Maidul; Baidya, Mahiuddin","Pyrido[1,2-a]pyrimidinium ions - a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties.","Organic & biomolecular chemistry","2015","13","29","8037","8047","10.1039/c5ob01082a","","","0.71073","MoKα","","0.0406","0.0394","","","0.1194","0.1211","","","","","","1.135","","","","has coordinates","153275","2020-10-21","18:00:00",""
"7154562","7.4871","0.0008","12.1721","0.0012","16.4565","0.0017","90","","94.653","0.002","90","","1494.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(8-dimethylaminonaphth-1-yl)aminoacetic acid hydrobromide","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.058","0.0448","","","0.1157","0.1213","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154563","7.0938","0.0003","11.5502","0.0005","18.1965","0.0009","90","","90","","90","","1490.93","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,1,3-Trimethyl-2,3-dihydro-1H-perimidin-1-ium bromide","","","- C14 H21 Br N2 O2 -","- C14 H21 Br N2 O2 -","- C56 H84 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.0275","0.0228","","","0.046","0.0476","","","","","","1.015","","","","has coordinates","153270","2020-10-21","18:00:00",""
"7154564","10.919","0.002","21.054","","21.054","0.004","90","","90","","90","","4840.1","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","2","","Huang, Zhimei; Hu, Junhao; Gong, Yuefa","Formation and aromatization of strained bicyclic pyrazolidines via tandem reaction of alkyl 2-aroyl-1-chlorocyclopropanecarboxylates with acylhydrazones.","Organic & biomolecular chemistry","2015","13","31","8561","8566","10.1039/c5ob01199j","","","0.71073","MoKα","","0.0723","0.0392","","","0.0861","0.1016","","","","","","1.011","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154565","4.4366","0.0004","7.095","0.0007","14.0927","0.0014","91.198","0.003","95.948","0.002","97.185","0.002","437.49","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","1","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","","0.71073","MoKα","","0.0247","0.0218","","","0.0673","0.084","","","","","","1.269","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154566","8.369","0.003","10.336","0.002","21.421","0.007","90","","90","","90","","1853","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 N2 S6 -","- C18 H10 N2 S6 -","- C72 H40 N8 S24 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0847","0.0614","","","0.1344","0.1443","","","","","","1.076","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154567","6.8237","0.0005","8.5474","0.0007","22.3448","0.0015","90","","90","","90","","1303.26","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0556","0.0328","","","0.0721","0.0798","","","","","","1.037","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154568","9.8293","0.0005","10.139","0.0005","15.9153","0.0007","90","","90","","90","","1586.11","0.13","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N S4 Ti -","- C15 H15 N S4 Ti -","- C60 H60 N4 S16 Ti4 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0271","0.0259","","","0.0663","0.0676","","","","","","0.722","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154569","10.4066","0.0003","7.3334","0.0002","12.2408","0.0004","90","","104.422","0.002","90","","904.73","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H5 N O S4 -","- C6 H5 N O S4 -","- C24 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0282","0.0256","","","0.0616","0.0627","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154570","9.5493","0.0005","8.4524","0.0005","14.3009","0.0008","90","","104.898","0.003","90","","1115.49","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N O S4 -","- C10 H5 N O S4 -","- C40 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.037","0.0315","","","0.075","0.0782","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154571","8.5086","0.0016","9.106","0.003","11.589","0.002","90","","110.442","0.008","90","","841.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 S3 -","- C6 H5 N O2 S3 -","- C24 H20 N4 O8 S12 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0384","0.033","","","0.0787","0.0816","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154572","7.3417","0.001","10.0649","0.0014","10.3982","0.0014","75.006","0.004","89.015","0.004","78.726","0.004","727.42","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F4 N O -","- C17 H13 F4 N O -","- C34 H26 F8 N2 O2 -","2","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.0819","0.0481","","","0.1194","0.1373","","","","","","1.033","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7154573","12.8017","0.0008","9.6398","0.0006","15.4464","0.001","90","","105.362","0.004","90","","1838.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1246","0.0563","","","0.1264","0.1525","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154574","16.972","0.003","11.3201","0.0016","18.722","0.003","90","","98.676","0.005","90","","3555.8","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C176 H128 F24 N8 O8 -","8","2","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1296","0.0842","","","0.2066","0.2331","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154575","12.1151","0.0006","11.4278","0.0005","18.5077","0.0009","90","","93.294","0.002","90","","2558.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","OBR-C15H18N3O6P","","- C17 H20 Cl6 N3 O6 P -","- C17 H20 Cl6 N3 O6 P -","- C68 H80 Cl24 N12 O24 P4 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","An efficient one pot regioselective synthesis of a 3,3'-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones.","Organic & biomolecular chemistry","2015","13","32","8669","8675","10.1039/c5ob01020a","","","0.71073","MoKα","","0.0999","0.0776","","","0.1672","0.1794","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154576","9.0122","0.0004","10.2941","0.0006","10.6266","0.0006","75.079","0.005","73.655","0.004","75.04","0.005","895.6","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C44 H40 O8 S2 -","2","1","","Barrett, Matthew J.; Davies, Paul W.; Grainger, Richard S.","Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation.","Organic & biomolecular chemistry","2015","13","32","8676","8686","10.1039/c5ob01241d","","","1.54184","CuKα","","0.0309","0.029","","","0.0722","0.0733","","","","","","1.046","","","","has coordinates","153281","2020-10-21","18:00:00",""
"7154577","11.8946","0.0017","9.771","0.0006","14.6459","0.0014","90","","94.988","0.009","90","","1695.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F3 -","- C22 H17 F3 -","- C88 H68 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.71073","MoKα","","0.1158","0.0605","","","0.0984","0.1186","","","","","","0.981","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154578","9.335","0.0004","10.6357","0.0005","11.4303","0.0005","73.153","0.004","87.926","0.004","76.728","0.004","1056.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Cl F3 -","- C26 H24 Cl F3 -","- C52 H48 Cl2 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0428","0.0396","","","0.1067","0.1099","","","","","","1.046","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154579","9.177","0.0004","10.3545","0.0006","11.2833","0.0005","76.862","0.004","87.228","0.003","75.716","0.004","1011.8","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 F3 -","- C26 H25 F3 -","- C52 H50 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.7107","MoKα","","0.0572","0.0435","","","0.1002","0.1075","","","","","","1.026","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154580","10.5842","0.0004","9.2772","0.0003","17.8208","0.0006","90","","90.018","0.003","90","","1749.86","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C88 H64 Cl4 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0442","0.0356","","","0.0894","0.0983","","","","","","1.029","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154581","8.9801","0.0003","11.8644","0.0005","12.6622","0.0006","64.998","0.004","71.043","0.004","80.66","0.003","1155.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl F3 O4 -","- C26 H24 Cl F3 O4 -","- C52 H48 Cl2 F6 O8 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.053","0.0424","","","0.1067","0.1106","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154582","14.1449","0.0003","7.958","0.00016","16.5726","0.0004","90","","99.274","0.002","90","","1841.11","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 O Si -","- C19 H21 F3 O Si -","- C76 H84 F12 O4 Si4 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.5418","CuKα","","0.0363","0.0327","","","0.0887","0.0933","","","","","","1.041","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154583","12.6814","0.0015","5.7264","0.0006","27.718","0.003","90","","99.174","0.005","90","","1987.1","0.4","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","2","","Veits, Gesine K.; Wenz, Donald R.; Palmer, Leoni I.; St Amant, André H; Hein, Jason E.; Read de Alaniz, Javier","Cascade rearrangement of furylcarbinols with hydroxylamines: practical access to densely functionalized cyclopentane derivatives.","Organic & biomolecular chemistry","2015","13","31","8465","8469","10.1039/c5ob00944h","","","0.71073","MoKα","","0.1211","0.0649","","","0.1268","0.1506","","","","","","1.001","","","","has coordinates","153268","2020-10-21","18:00:00",""
"7154584","15.3927","0.0007","11.141","0.0005","18.1915","0.0009","90","","104.29","0.0016","90","","3023.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 S2 -","- C34 H32 Br2 S2 -","- C136 H128 Br8 S8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0381","0.0292","","","0.0718","0.0758","","","","","","1.022","","","","has coordinates","153271","2020-10-21","18:00:00",""
"7154585","8.3105","0.0007","9.161","0.0008","17.2363","0.0015","90","","91.798","0.002","90","","1311.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0487","0.0453","","","0.1133","0.116","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154586","9.016","0.0009","12.6459","0.0013","12.1727","0.0012","90","","96.21","0.002","90","","1379.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0518","0.0451","","","0.1184","0.1235","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154587","8.629","0.002","10.44","0.003","12.379","0.004","80.505","0.011","76.238","0.011","65.983","0.009","986.5","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","2","","Dai, Jie; Ren, Wenlong; Wang, Haining; Shi, Yian","A facile approach to β-amino acid derivatives via palladium-catalyzed hydrocarboxylation of enimides with formic acid.","Organic & biomolecular chemistry","2015","13","31","8429","8432","10.1039/c5ob01304f","","","0.71073","MoKα","","0.0553","0.0492","","","0.1175","0.1215","","","","","","1.127","","","","has coordinates","153267","2020-10-21","18:00:00",""
"7154588","15.407","0.0007","17.9","0.0009","22.8419","0.0011","95.841","0.001","109.235","0.001","99.182","0.001","5790.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N O5 S2 -","- C33 H28 N O5 S2 -","- C264 H224 N8 O40 S16 -","8","4","","Bounar, Haniya; Liu, Zhenhua; Zhang, Lin; Guan, Xiaoxue; Yang, Zonglian; Liao, Peiqiu; Bi, Xihe; Li, Xingqi","Silver-catalyzed cascade reaction of tosylmethyl isocyanide (TosMIC) with propargylic alcohols to (E)-vinyl sulfones: dual roles of TosMIC.","Organic & biomolecular chemistry","2015","13","32","8723","8728","10.1039/c5ob01129a","","","0.71073","MoKα","","0.1198","0.0711","","","0.1751","0.2115","","","","","","1.01","","","","has coordinates","153284","2020-10-21","18:00:00",""
"7154589","8.788","0.003","17.421","0.006","11.688","0.004","90","","109.885","0.004","90","","1682.7","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,5-dimethylphenyl)-2-(phenyldiazenyl)benzamide","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.1021","0.08","","","0.1504","0.1615","","","","","","1.24","","","","has coordinates","141633","2020-10-21","18:00:00",""
"7154590","24.909","0.002","9.2315","0.0008","6.9138","0.0006","90","","90","","90","","1589.8","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.","Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.","Organic & biomolecular chemistry","2015","13","32","8729","8733","10.1039/c5ob01077b","","","0.71073","MoKα","","0.0427","0.0404","","","0.1063","0.1087","","","","","","1.04","","","","has coordinates","153283","2020-10-21","18:00:00",""
"7154591","7.6266","0.0008","18.5193","0.0018","10.0793","0.001","90","","108.801","0.005","90","","1347.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.054","0.0405","","","0.1216","0.1389","","","","","","0.882","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154592","8.1792","0.0003","8.2361","0.0003","11.9209","0.0004","91.062","0.002","95.422","0.002","119.402","0.002","694.53","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.0551","0.0445","","","0.1168","0.1311","","","","","","0.639","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154593","14.356","0.004","8.145","0.002","16.636","0.004","90","","96.488","0.004","90","","1932.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br N3 O -","- C21 H22 Br N3 O -","- C84 H88 Br4 N12 O4 -","4","1","","Itoh, Kennosuke; Kato, Ryo; Kinugawa, Daito; Kamiya, Hideaki; Kudo, Ryuki; Hasegawa, Masayuki; Fujii, Hideaki; Suga, Hiroyuki","Photochemically-induced C-C bond formation between tertiary amines and nitrones.","Organic & biomolecular chemistry","2015","13","33","8919","8924","10.1039/c5ob01277e","","","0.71073","MoKα","","0.0445","0.0303","","","0.0712","0.0748","","","","","","1.204","","","","has coordinates","155241","2020-10-21","18:00:00",""
"7154594","10.8982","0.0005","37.3563","0.0016","17.593","0.0008","90","","99.613","0.002","90","","7061.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C420 H252 -","14","3.5","","Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I.; Girichev, Georgiy V.","1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.","Organic & biomolecular chemistry","2015","13","33","8893","8905","10.1039/c5ob01078k","","","1.54178","CuKα","","0.0416","0.0361","","","0.0923","0.0964","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154595","10.3258","0.0009","17.5826","0.0015","13.7351","0.0012","90","","101.789","0.001","90","","2441.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Sudhakar, Gangarajula; Reddy, Karla Janardhan; Nanubolu, Jagadesh Babu","Nazarov cyclization of dienylaziridines: synthesis of cyclopentadienyl/hydrinedienyl/indenyl glycines.","Organic & biomolecular chemistry","2015","13","33","8875","8885","10.1039/c5ob01219h","","","0.71073","MoKα","","0.0531","0.0481","","","0.1402","0.1481","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154596","11.1245","0.001","11.5825","0.0011","14.9885","0.0014","90","","107.083","0.003","90","","1846.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 O3 -","- C24 H15 F N2 O3 -","- C96 H60 F4 N8 O12 -","4","1","","Liao, Fu-Min; Liu, Yun-Lin; Yu, Jin-Sheng; Zhou, Feng; Zhou, Jian","An efficient catalyst-free Mukaiyama-aldol reaction of fluorinated enol silyl ethers with tryptanthrin.","Organic & biomolecular chemistry","2015","13","33","8906","8911","10.1039/c5ob01125f","","","0.71073","MoKα","","0.0844","0.0412","","","0.0819","0.1011","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154597","10.687","0.0004","9.1043","0.0003","21.0968","0.0006","90","","98.623","0.003","90","","2029.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tert-butyl)-1-(4-chlorophenethyl)-5-oxo-2-(pyridin-3-yl)pyrrolidine-2-carboxamide","","- C22 H26 Cl N3 O2 -","- C22 H26 Cl N3 O2 -","- C88 H104 Cl4 N12 O8 -","4","1","","Polindara-García, Luis A; Montesinos-Miguel, Dario; Vazquez, Alfredo","An efficient microwave-assisted synthesis of cotinine and iso-cotinine analogs from an Ugi-4CR approach.","Organic & biomolecular chemistry","2015","13","34","9065","9071","10.1039/c5ob01170a","","x-ray","1.54184","CuKα","","0.0532","0.0409","","","0.1056","0.1276","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154598","13.1515","0.0008","9.4791","0.0004","14.8569","0.0008","90","","90","","90","","1852.13","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4aR*,8aS*)-8-hydroxy-2-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6(2H,8aH)-dione","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Medvedev, J. J.; Meleshina, M. V.; Panikorovskii, T. L.; Schneider, C.; Nikolaev, V. A.","Domino reactions of diazodicarbonyl compounds with α,β-unsaturated δ-amino esters: a convenient way towards 2-oxopiperidines, dihydropyridinones and isoquinolinediones.","Organic & biomolecular chemistry","2015","13","34","9107","9117","10.1039/c5ob01197c","","","0.7107","MoKα","","0.0518","0.0446","","","0.106","0.1129","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154599","7.9798","0.0013","8.2157","0.0014","11.2639","0.0018","91.83","0.002","96.597","0.003","110.961","0.002","682.9","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 I N2 S -","- C14 H11 I N2 S -","- C28 H22 I2 N4 S2 -","2","1","","Liu, Shan; Xi, Hailing; Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Wu, Anxin","Organopromoted direct synthesis of 6-iodo-3-methylthioimidazo[1,2-a]pyridines via convergent integration of three self-sorting domino sequences.","Organic & biomolecular chemistry","2015","13","33","8807","8811","10.1039/c5ob01313e","","","0.71073","MoKα","","0.0316","0.0296","","","0.0943","0.0967","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154600","10.412","0.003","7.85","0.003","17.427","0.006","90","","105.304","0.006","90","","1373.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C58 H82 N2 O4 Se2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0342","0.032","","","0.0835","0.0902","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154601","5.8067","0.0018","13.672","0.004","13.807","0.004","90","","90.852","0.006","90","","1096","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0302","0.0281","","","0.0747","0.0774","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154602","8.5898","0.0017","10.768","0.002","28.159","0.006","90","","90","","90","","2604.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O2 Se -","- C28 H37 N O2 Se -","- C112 H148 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.044","0.0394","","","0.1064","0.1096","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154603","12.295","0.002","13.5593","0.0019","15.728","0.003","90","","90","","90","","2622","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O2 Se -","- C26 H41 N O2 Se -","- C104 H164 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0582","0.0356","","","0.0706","0.08","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154604","6.517","0.003","12.303","0.005","12.943","0.005","90","","100.402","0.007","90","","1020.7","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C44 H70 N2 O4 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0287","0.0278","","","0.0728","0.0739","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154605","8.8571","0.0008","15.0597","0.0014","15.5921","0.0014","90","","90","","90","","2079.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O2 -","- C22 H32 Cl N O2 -","- C88 H128 Cl4 N4 O8 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0268","0.0249","","","0.0633","0.0649","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154606","8.7862","0.0003","20.9598","0.0007","8.5716","0.0003","90","","117.059","0.002","90","","1405.73","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,2-dioxo-6-phenyl-1H,3H-pyrazolo[1,5-c][1,3]thiazole-7-carboxylate","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.0561","0.0408","","","0.1048","0.1105","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154607","12.8055","0.0017","14.5445","0.0019","14.594","0.002","98.06","0.006","99.289","0.007","115.517","0.006","2352.7","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4aR,7aR,8aR)-Dimethyl 8-benzyl-5,7-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-1H,3H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyridine-2,3-dicarboxylate","","- C26 H23 N3 O6 -","- C26 H23 N3 O6 -","- C104 H92 N12 O24 -","4","2","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.1744","0.0614","","","0.1206","0.1581","","","","","","0.872","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7154608","17.0052","0.0007","17.3045","0.0008","19.3461","0.0008","74.882","0.004","64.37","0.004","64.823","0.004","4624.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N6 O4 -","- C20 H14 N6 O4 -","- C200 H140 N60 O40 -","10","5","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","x-ray","0.71073","MoKα","","0.0904","0.053","","","0.1011","0.1183","","","","","","1.002","","","","has coordinates","155229","2020-10-21","18:00:00",""
"7154609","23.897","0.017","6.42","0.005","8.292","0.006","90","","95.275","0.011","90","","1266.8","1.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H9 N3 O2 -","- C16 H9 N3 O2 -","- C64 H36 N12 O8 -","4","1","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","","0.71073","MoKα","","0.0784","0.0462","","","0.1095","0.1313","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154610","16.3644","0.0006","15.9689","0.0006","12.8284","0.0005","90","","90","","90","","3352.3","0.2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N O9 P S -","- C34 H36 N O9 P S -","- C136 H144 N4 O36 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71073","MoKα","","0.0741","0.0494","","0.052","0.0512","0.0511","","","","","","1.0721","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154611","10.2628","0.0005","8.9164","0.0004","18.5939","0.0009","90","","105.023","0.005","90","","1643.32","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H40 N O9 P S -","- C31 H40 N O9 P S -","- C62 H80 N2 O18 P2 S2 -","2","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.0738","0.0511","","0.0546","0.0436","0.0406","","","","","","1.153","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154612","11.8008","0.0005","14.3566","0.0008","16.6799","0.0011","90","","90","","90","","2825.9","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N O8 P S -","- C27 H28 N O8 P S -","- C108 H112 N4 O32 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.1498","0.0788","","0.0806","0.0595","0.0536","","","","","","1.1191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154613","6.9629","0.0013","10.231","0.003","14.781","0.002","102.726","0.018","97.404","0.016","94.658","0.018","1012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O4 S2 -","- C18 H21 N3 O4 S2 -","- C36 H42 N6 O8 S4 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Singh, Manish Kumar; Upadhyay, K. K.","A radical approach for fluorescent turn 'on' detection, differentiation and bioimaging of methanol.","Organic & biomolecular chemistry","2015","13","33","8822","8826","10.1039/c5ob01333j","","","0.71073","MoKα","","0.1294","0.0574","","","0.0556","0.0712","","","","","","0.96","","","","has coordinates","155242","2020-10-21","18:00:00",""
"7154614","7.621","0.002","13.163","0.004","23.299","0.007","90","","90","","90","","2337.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O5 Se Si -","- C17 H28 N2 O5 Se Si -","- C68 H112 N8 O20 Se4 Si4 -","4","1","","Kogami, Masakazu; Koketsu, Mamoru","An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).","Organic & biomolecular chemistry","2015","13","36","9405","9417","10.1039/c5ob01316j","","","0.71075","MoKα","","0.1599","0.1062","","","0.2754","0.3156","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154615","12.239","0.002","15.019","0.003","20.059","0.003","90","","101.801","0.011","90","","3609.3","1.1","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,15,22-Tri-tert-butyl-9,18,25-trimethoxy[3.3.1]metacyclophane-2,11- dione","","- C40 H52 O5 -","- C40 H52 O5 -","- C160 H208 O20 -","4","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0485","0.0414","","","0.1096","0.1124","","","","","","1.05","","","","has coordinates,has disorder","155234","2020-10-21","18:00:00",""
"7154616","25.2718","0.0005","13.4859","0.0003","17.4972","0.0004","90","","90","","90","","5963.3","0.2","123","","123","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","15,35,55-tri-tert-butyl-12-hydroxy-1-(1,3)-benzena-3,5(2,7) benzofuranacyclohexaphane","","- C37 H42 O3 -","- C37 H42 O3 -","- C296 H336 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0651","0.0444","","","0.0938","0.1018","","","","","","1.016","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154617","17.5245","0.0003","13.6997","0.0003","26.7366","0.0005","90","","104.033","0.007","90","","6227.4","0.3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15,35,55-tri-tert-butyl-12-methoxy-1-(1,3)- benzena-3,5-(2,7)benzofurana-cyclohexaphane","","- C38 H44 O3 -","- C38 H44 O3 -","- C304 H352 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0777","0.0629","","","0.1541","0.1638","","","","","","1.041","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154618","9.661","0.01","18.921","0.019","35.7","0.04","90","","90","","90","","6526","12","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 O2 Si5 -","- C26 H50 O2 Si5 -","- C208 H400 O16 Si40 -","8","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.1718","0.0578","","","0.1258","0.1735","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154619","11.587","0.009","12.882","0.01","13.076","0.01","89.35","0.009","65.871","0.009","74.849","0.009","1709","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O Si5 -","- C30 H50 O Si5 -","- C60 H100 O2 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0523","0.0407","","","0.1271","0.1422","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154620","9.7059","0.0011","12.3889","0.0014","14.2286","0.0016","93.485","0.002","91.21","0.002","97.443","0.002","1692.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O3 Si5 -","- C27 H50 N2 O3 Si5 -","- C54 H100 N4 O6 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.059","0.0418","","","0.126","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154621","14.925","0.012","11.801","0.008","18.571","0.014","90","","110.765","0.016","90","","3058","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H50 N2 Si6 -","- C20 H50 N2 Si6 -","- C80 H200 N8 Si24 -","4","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0768","0.0451","","","0.1153","0.134","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154622","10.2089","0.0008","6.5207","0.0006","13.9304","0.0011","90","","98.383","0.007","90","","917.43","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6aR,7S,10aS)-2-bromo-7-(4-chlorophenyl)-6a-nitro-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C38 H30 Br2 Cl2 N2 O8 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective cascade double Michael addition of 3-nitro-2H-chromenes and acyclic enones: efficient synthesis of functionalized tricyclic chroman derivatives.","Organic & biomolecular chemistry","2015","13","37","9600","9609","10.1039/c5ob01211b","","","1.54184","CuKα","","0.1151","0.0687","","","0.1488","0.1798","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154623","6.4981","0.0019","11.985","0.004","23.813","0.007","90","","90","","90","","1854.5","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sa3912","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic base-promoted enantioselective electrophilic cyanation of β-keto esters by using chiral phase-transfer catalysts.","Organic & biomolecular chemistry","2015","13","33","8812","8816","10.1039/c5ob01301a","","","0.71073","MoKα","","0.0445","0.0407","","","0.0733","0.0747","","","","","","1.131","","","","has coordinates","155246","2020-10-21","18:00:00",""
"7154624","13.3258","0.0003","12.8123","0.0003","14.6052","0.0004","90","","116.613","0.0008","90","","2229.42","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B2 F3 N2 O2 -","- C23 H29 B2 F3 N2 O2 -","- C92 H116 B8 F12 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0507","0.0398","","","0.103","0.1098","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154625","7.202","0.0009","39.014","0.004","13.9823","0.0017","90","","90.614","0.004","90","","3928.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H66 B2 N2 O2 -","- C43 H66 B2 N2 O2 -","- C172 H264 B8 N8 O8 -","4","2","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0855","0.0639","","","0.1648","0.1817","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154626","16.4632","0.0013","10.963","0.0009","13.1045","0.0009","90","","99.031","0.003","90","","2335.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 N2 O2 -","- C26 H36 B2 N2 O2 -","- C104 H144 B8 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0975","0.0476","","","0.1135","0.148","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154627","7.871","0.005","11.094","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","1354","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H10 Br2 O3 -","- C14 H10 Br2 O3 -","- C56 H40 Br8 O12 -","4","1","","Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed","Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols.","Organic & biomolecular chemistry","2015","13","37","9686","9696","10.1039/c5ob01287b","","","0.71069","MoKα","","0.0828","0.0471","","","0.1135","0.1563","","","","","","1.045","","","","has coordinates","162206","2020-10-21","18:00:00",""
"7154628","14.39","0.003","9.587","0.0016","14.773","0.003","90","","107.651","0.002","90","","1942.1","0.7","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N3 O5 P -","- C19 H20 N3 O5 P -","- C76 H80 N12 O20 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.0441","0.0387","","","0.1107","0.114","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154629","8.955","0.002","9.519","0.002","12.242","0.003","90.177","0.003","94.21","0.003","116.002","0.004","934.7","0.4","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C19 H15 F N3 O5 P -","- C19 H15 F N3 O5 P -","- C38 H30 F2 N6 O10 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.048","0.0414","","","0.1193","0.1235","","","","","","1.094","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7154630","8.2681","0.0005","7.5543","0.0005","23.4201","0.0017","90","","96.148","0.003","90","","1454.4","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N O9 -","- C31 H33 N O9 -","- C62 H66 N2 O18 -","2","1","","Zhou, M.-J.; Bouazzaoui, S.; Jones, L. E.; Goodrich, P.; Bell, S. E. J.; Sheldrake, G. N.; Horton, P. N.; Coles, S. J.; Fletcher, N. C.","Isolation and structural determination of non-racemic tertiary cathinone derivatives.","Organic & biomolecular chemistry","2015","13","37","9629","9636","10.1039/c5ob01306b","","","0.71075","MoKα","","0.1535","0.0865","","","0.192","0.231","","","","","","1.037","","","","has coordinates","162181","2020-10-21","18:00:00",""
"7154631","6.306","0.004","8.935","0.006","13.518","0.009","90","","96.662","0.008","90","","756.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C28 H36 N4 O6 S2 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0672","0.0442","","","0.0982","0.104","","","","","","0.912","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154632","11.651","0.004","5.9117","0.0018","14.797","0.005","90","","96.518","0.004","90","","1012.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br2 F O4 -","- C20 H17 Br2 F O4 -","- C40 H34 Br4 F2 O8 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0514","0.0379","","","0.0932","0.0979","","","","","","1.051","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154633","9.603","0.0015","5.6386","0.0009","19.96","0.003","90","","92.827","0.002","90","","1079.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br2 O4 S2 -","- C20 H24 Br2 O4 S2 -","- C40 H48 Br4 O8 S4 -","2","0.5","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0307","0.0266","","","0.0646","0.0666","","","","","","1.05","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154634","11.34","0.014","16.33","0.02","16.93","0.02","90","","99.38","0.02","90","","3093","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl3 O5 P S2 -","- C27 H30 Cl3 O5 P S2 -","- C108 H120 Cl12 O20 P4 S8 -","4","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0791","0.0518","","","0.1389","0.1577","","","","","","1.042","","","","has coordinates,has disorder","155232","2020-10-21","18:00:00",""
"7154635","3.7349","0.001","10.508","0.003","12.512","0.003","90","","96.366","0.004","90","","488","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H4 O3 S2 -","- C11 H4 O3 S2 -","- C22 H8 O6 S4 -","2","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0439","0.0417","","","0.1019","0.1035","","","","","","1.136","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154636","8.104","0.0016","17.252","0.004","9.486","0.0019","90","","106.24","0.03","90","","1273.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Liu, Wei; Wang, Haining; Shi, Yian","A palladium-catalyzed enantioselective hydroesterification of alkenylphenols with phenyl formate. A facile approach to optically active dihydrocoumarins.","Organic & biomolecular chemistry","2015","13","41","10341","10347","10.1039/c5ob01431j","","","0.71073","MoKα","","0.1354","0.0968","","","0.2209","0.242","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154637","12.6131","0.0005","26.049","0.001","8.1912","0.0004","90","","108.884","0.002","90","","2546.43","0.19","156","2","155.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl3 N7 O10 -","- C19 H18 Cl3 N7 O10 -","- C76 H72 Cl12 N28 O40 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.2858","0.2697","","","0.667","0.6748","","","","","","3.511","","","","has coordinates,has disorder","162150","2020-10-21","18:00:00",""
"7154638","10.0324","0.0006","5.2469","0.0002","16.142","0.0009","90","","101.826","0.003","90","","831.66","0.08","152","2","152","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.04","0.0322","","","0.0831","0.0889","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154639","13.823","0.004","7.673","0.002","27.213","0.007","90","","90","","90","","2886.3","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Nostodione A methyl ether","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C152 H104 N8 O24 -","8","1","","McNulty, James; Keskar, Kunal; Jenkins, Hilary A.; Werstiuk, Nick H.; Bordón, Claudia; Yolken, Robert; Jones-Brando, Lorraine","Synthesis of the cyanobacterial metabolite nostodione A, structural studies and potent antiparasitic activity against Toxoplasma gondii.","Organic & biomolecular chemistry","2015","13","39","10015","10024","10.1039/c5ob01506e","","","0.71073","MoKα","","0.1062","0.0557","","","0.1127","0.1316","","","","","","1.016","","","","has coordinates","162168","2020-10-21","18:00:00",""
"7154640","8.5794","0.0006","12.6291","0.0016","22.1208","0.0017","90","","91.615","0.007","90","","2395.8","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F3 N O4 P S -","- C21 H27 F3 N O4 P S -","- C84 H108 F12 N4 O16 P4 S4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","1.5418","CuKα","","0.0592","0.049","","","0.1367","0.1454","","","","","","1.031","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154641","16.654","0.004","5.0589","0.0013","21.395","0.006","90","","94.15","0.02","90","","1797.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N O4 P -","- C15 H21 F3 N O4 P -","- C60 H84 F12 N4 O16 P4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","0.7107","MoKα","","0.2337","0.081","","","0.1727","0.2214","","","","","","0.882","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154642","6.3711","0.0001","12.1422","0.0003","27.2294","0.0007","90","","90","","90","","2106.44","0.08","100","2","100.15","","","","101.3","","","","synthetic","6","P 21 21 21","P 2ac 2ab","19","thymidine-LNA-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","thymin-1-yl-2'-O,4'-C-methylene-β-D-ribofuranosyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","","- C18 H25 N2 O7 P S2 -","- C18 H25 N2 O7 P S2 -","- C72 H100 N8 O28 P4 S8 -","4","1","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Bujacz, Grzegorz; Guga, Piotr","Thermal stability and conformation of antiparallel duplexes formed by P-stereodefined phosphorothioate DNA/LNA chimeric oligomers with DNA and RNA matrices.","Organic & biomolecular chemistry","2015","13","39","10032","10040","10.1039/c5ob01474c","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0726","0.075","","","","","","1.032","","","","has coordinates","162163","2020-10-21","18:00:00",""
"7154643","8.7847","0.001","10.1017","0.0009","17.1281","0.001","89.731","0.006","88.638","0.007","69.689","0.006","1425","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.0681","0.0497","","","0.1287","0.1477","","","","","","1.056","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154644","8.3651","0.0017","10.416","0.002","21.073","0.004","103.176","0.013","92.751","0.015","74.496","0.015","1722.6","0.6","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 N O4 -","- C37 H53 N O4 -","- C74 H106 N2 O8 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","1.54178","CuKα","","0.1091","0.0617","","","0.169","0.2104","","","","","","1.062","","","","has coordinates","162141","2020-10-21","18:00:00",""
"7154645","10.274","0.002","25.257","0.005","26.703","0.005","90","","90","","90","","6929","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N O3 -","- C37 H55 N O3 -","- C296 H440 N8 O24 -","8","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.1599","0.099","","","0.2408","0.2808","","","","","","1.038","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154646","11.3455","0.0012","10.2153","0.001","14.3393","0.0013","90","","94.725","0.005","90","","1656.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 B Br F7 N2 O -","- C16 H7 B Br F7 N2 O -","- C64 H28 B4 Br4 F28 N8 O4 -","4","1","","Raja Sekhar, Adiki; Kaloo, Masood Ayoub; Sankar, Jeyaraman","Dual-mode chemodosimetric response of dibromo-BODIPY with anions.","Organic & biomolecular chemistry","2015","13","40","10155","10161","10.1039/c5ob01386k","","","0.71073","MoKα","","0.041","0.0354","","","0.0898","0.0944","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154647","12.036","0.005","10.533","0.005","12.239","0.005","90","","94.749","0.01","90","","1546.3","1.2","100","2","100.15","","","","","","","","N/A","4","P 1 21 1","P 2yb","4","Fluoroalkene 11","3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene","","- C37 H39 F O5 -","- C37 H39 F O5 -","- C74 H78 F2 O10 -","2","1","","Altiti, Ahmad S.; Bachan, S.; Alrowhani, W.; Mootoo, D. R.","An organocatalytic strategy for the stereoselective synthesis of C-galactosides with fluorine at the pseudoanomeric carbon.","Organic & biomolecular chemistry","2015","13","41","10328","10335","10.1039/c5ob01471a","","","0.71095","MoKα","","0.0928","0.0655","","","0.1604","0.1831","","","","","","0.9821","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7154648","18.6725","0.0014","9.6689","0.0007","19.3848","0.0014","90","","90","","90","","3499.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C168 H112 Cl8 N8 O24 -","8","2","","Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun","Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.","Organic & biomolecular chemistry","2015","13","40","10236","10243","10.1039/c5ob01359c","","","0.71073","MoKα","","0.046","0.04","","","0.1021","0.1088","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154649","8.3589","0.0001","20.9131","0.0003","17.1468","0.0004","90","","97.582","0.001","90","","2971.23","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F10 N -","- C33 H27 B F10 N -","- C132 H108 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0849","0.0581","","","0.1067","0.1195","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154650","8.9201","0.0002","10.7594","0.0003","25.6057","0.0007","90","","90.619","0.001","90","","2457.36","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B F10 N O -","- C27 H24 B F10 N O -","- C108 H96 B4 F40 N4 O4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0682","0.0516","","","0.1123","0.1212","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154651","10.0839","0.0003","10.3125","0.0003","11.7098","0.0003","93.787","0.0013","92.769","0.0012","102.949","0.0012","1181.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.045","0.0387","","","0.0984","0.103","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154652","9.0475","0.0002","10.2558","0.0002","14.7499","0.0005","84.788","0.001","79.791","0.001","76.629","0.002","1308.68","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 B F10 N -","- C28 H26 B F10 N -","- C56 H52 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1011","0.0705","","","0.1356","0.156","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154653","8.3829","0.0002","18.0928","0.0005","18.0057","0.0006","90","","95.814","0.001","90","","2716.88","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C116 H96 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1102","0.0707","","","0.1269","0.1488","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154654","8.626","0.0005","18.2872","0.0012","21.3911","0.0014","90","","91.102","0.002","90","","3373.7","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F10 N O -","- C16 H8 B F10 N O -","- C128 H64 B8 F80 N8 O8 -","8","2","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.3246","0.1902","","","0.2615","0.3268","","","","","","1.247","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154655","8.0677","0.0003","9.7095","0.0004","18.3172","0.0007","81.567","0.002","85.147","0.001","70.608","0.001","1337.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.0488","0.0423","","","0.1151","0.119","","","","","","1.047","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154656","9.0935","0.0005","9.5304","0.0005","11.4509","0.0007","70.278","0.002","74.54","0.002","65.394","0.002","840.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 B F10 N -","- C17 H10 B F10 N -","- C34 H20 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0493","0.0362","","","0.0845","0.092","","","","","","1.063","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154657","11.4534","0.0008","11.6801","0.0009","14.4308","0.0011","96.466","0.005","102.806","0.004","90.975","0.004","1868.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cbz-(rac)-(αMe)ValAib4OtBu","racemic CbzMeValAib4OtBu","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C68 H110 N10 O16 -","2","1","","Pike, Sarah J.; Jones, Jennifer E.; Raftery, James; Clayden, Jonathan; Webb, Simon J.","Helical peptaibol mimics are better ionophores when racemic than when enantiopure.","Organic & biomolecular chemistry","2015","13","37","9580","9584","10.1039/c5ob01652e","","","1.54178","CuKα","","0.0631","0.0524","","","0.1417","0.1505","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154658","8.7294","0.0017","9.0226","0.0018","13.246","0.003","89.48","0.03","79.49","0.03","89.81","0.03","1025.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.0615","0.0463","","","0.1254","0.1379","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154659","20.9391","0.0005","19.6321","0.0004","19.0212","0.0005","90","","99.008","0.002","90","","7722.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C400 H320 O16 -","16","4","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0778","0.0555","","","0.147","0.1639","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154660","40.689","0.0012","7.9939","0.0002","15.8777","0.0007","90","","101.669","0.003","90","","5057.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0747","0.0653","","","0.1978","0.2091","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154661","9.648","0.004","12.704","0.005","13.199","0.005","118.354","0.005","94.509","0.006","101.854","0.006","1363.9","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O4 -","- C33 H30 O4 -","- C66 H60 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.1462","0.1102","","","0.3182","0.3477","","","","","","1.215","","","","has coordinates","162173","2020-10-21","18:00:00",""
"7154662","10.0941","0.0005","12.7419","0.0005","13.2345","0.0008","117.981","0.005","94.366","0.005","104.498","0.004","1417.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C68 H64 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0602","0.0497","","","0.1435","0.1563","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154663","9.999","0.003","16.21","0.005","16.317","0.005","90","","90","","90","","2644.7","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Zheng, Danqing; Kuang, Yunyan; Wu, Jie","A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.","Organic & biomolecular chemistry","2015","13","41","10370","10375","10.1039/c5ob01765c","","","0.71073","MoKα","","0.0721","0.0446","","","0.101","0.1077","","","","","","0.911","","","","has coordinates","171335","2020-10-21","18:00:00",""
"7154664","29.2646","0.0012","9.4866","0.0004","15.7986","0.0007","90","","103.661","0.002","90","","4262","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl2 N2 O2 -","- C24 H19 Cl2 N2 O2 -","- C192 H152 Cl16 N16 O16 -","8","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.0913","0.0749","","","0.1293","0.1314","","","","","","3.455","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154665","9.4773","0.0019","9.4856","0.0015","12.418","0.003","82.847","0.009","79.354","0.01","76.208","0.009","1061.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.1102","0.0544","","","0.144","0.1737","","","","","","1.014","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154666","15.8707","0.0003","37.2414","0.0007","21.2432","0.0004","90","","131.683","0.001","90","","9377.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H73.5 N O3 Si2 -","- C49.5 H73.5 N O3 Si2 -","- C396 H588 N8 O24 Si16 -","8","2","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0998","0.0619","","","0.1528","0.1738","","","","","","1.027","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154667","9.644","0.004","12.021","0.006","18.923","0.006","86.145","0.014","85.326","0.01","85.326","0.019","2175.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl-2-hydroxy-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O5 Si2 -","- C43 H67 N O5 Si2 -","- C86 H134 N2 O10 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1103","0.0763","","","0.1937","0.2167","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154668","8.7","0.0007","15.359","0.001","17.871","0.0011","67.097","0.004","89.688","0.004","79.278","0.004","2155.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl cis-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O4 Si2 -","- C43 H67 N O4 Si2 -","- C86 H134 N2 O8 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1068","0.0748","","","0.1908","0.2104","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154669","15.518","0.0004","12.321","0.0005","9.057","0.0008","90","","106.742","0.003","90","","1658.27","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman12","methyl 3-isopropyl-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0573","0.047","","","0.1232","0.1301","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154670","9.081","0.0006","11.092","0.0006","20.597","0.001","90","","94.188","0.004","90","","2069.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl cis-4,7-dihydroxy-1-methyl-3-(naphthalen-1-yl)isoindoline-1-carboxylat","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0531","0.0442","","","0.1168","0.1229","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154671","11.171","0.0003","8.589","0.0003","19.728","0.0007","90","","95.532","0.0011","90","","1884.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman9","ethyl 3-(tert-butyl)-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0845","0.0577","","","0.1357","0.1491","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154672","7.736","0.002","12.285","0.002","14.643","0.003","71.82","0.02","88.31","0.02","73.55","0.02","1265.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Szpilman13 (Sukanta)","","","- C32 H34 N O -","- C32 H34 N O -","- C64 H68 N2 O2 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1133","0.0494","","","0.1239","0.1399","","","","","","0.842","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154673","7.2796","0.0001","27.9338","0.0006","10.3113","0.0002","90","","106.824","0.001","90","","2007.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 I2 Mn N5 O2 -","- C13 H23 I2 Mn N5 O2 -","- C52 H92 I8 Mn4 N20 O8 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0566","0.0497","","","0.1199","0.1233","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154674","14.5669","0.0009","18.4411","0.001","15.6178","0.0007","90","","90.728","0.002","90","","4195.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C128 H224 Cl16 Mn8 N56 O6 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.117","0.0597","","","0.1166","0.1351","","","","","","0.975","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154675","33.9815","0.0007","12.1081","0.0003","25.8046","0.0005","90","","117.073","0.001","90","","9454","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C312 H504 Cl56 Mn16 N80 O8 -","16","2","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0385","0.0313","","","0.0804","0.0843","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154676","10.2636","0.0018","10.7862","0.0018","11.475","0.002","96.25","0.003","98.454","0.003","104.549","0.003","1202.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(?)-(3aR,9aR)-rel-3a,4,9,9a-tetrahydro-4-[(1R)-1-N-benzylaminoethyl]-2-methyl-,4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0633","0.0535","","","0.1572","0.1655","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154677","15.275","0.003","14.422","0.002","17.487","0.003","90","","90","","90","","3852.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-trifluoroacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H18 F3 N2 O3 -","- C23 H18 F3 N2 O3 -","- C184 H144 F24 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.15","0.0652","","","0.1398","0.1705","","","","","","0.81","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154678","14.954","0.0012","9.4917","0.0008","16.5072","0.0013","90","","107.913","0.005","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-tert-butylcarbamato]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.1228","0.0517","","","0.1162","0.1555","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154679","17.583","0.002","11.5915","0.0014","17.893","0.002","90","","90","","90","","3646.8","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethylacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0897","0.0506","","","0.118","0.147","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154680","12.173","0.003","17.375","0.004","18.275","0.004","61.92","0.003","71.547","0.003","87.263","0.003","3211.2","1.3","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","C18Pycage","","","- C70 H116 Si2 -","- C70 H116 Si2 -","- C140 H232 Si4 -","2","1","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0688","0.0575","","","0.1454","0.1553","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154681","6.354","0.0012","16.626","0.003","9.3688","0.0017","90","","100.456","0.002","90","","973.3","0.3","100","2","100","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","2,7-TMSpyrene","2,7-bis(trimethylsilyl)pyrene","","- C22 H26 Si2 -","- C22 H26 Si2 -","- C44 H52 Si4 -","2","0.5","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0375","0.0331","","","0.0875","0.0905","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154682","7.5806","0.0003","14.495","0.0005","6.3109","0.0002","90","","90","","90","","693.45","0.04","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H5 N5 S -","- C5 H5 N5 S -","- C20 H20 N20 S4 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0292","0.0261","","","0.0624","0.0641","","","","","","1.065","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154683","3.9589","0.0003","10.9827","0.0008","15.3508","0.0012","90","","93.0963","0.0019","90","","666.47","0.09","132","2","132","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C20 H24 N24 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0435","0.0358","","","0.1078","0.1149","","","","","","1.056","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154684","13.1418","0.001","5.9625","0.0005","6.768","0.0006","90","","90","","90","","530.33","0.08","132","2","132","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N5 O -","- C4 H3 N5 O -","- C16 H12 N20 O4 -","4","0.5","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0674","0.0429","","","0.0993","0.1109","","","","","","1.053","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154685","9.528","0.003","7.509","0.002","11.706","0.004","90","","99.729","0.007","90","","825.5","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin; Cheng, Jin-Pei","Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins.","Organic & biomolecular chemistry","2015","13","39","9943","9947","10.1039/c5ob01691f","","","0.71075","MoKα","","0.0225","0.0197","","","0.0366","0.0368","","","","","","0.874","","","","has coordinates","162155","2020-10-21","18:00:00",""
"7154686","15.973","0.003","8.5673","0.0015","28.865","0.005","90","","93.316","0.004","90","","3943.4","1.2","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","1","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1148","0.1218","","","","","","1.119","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154687","23.99","0.03","16.08","0.03","10.433","0.015","90","","102.51","0.07","90","","3929","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","0.5","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.1023","0.0895","","","0.2083","0.216","","","","","","1.195","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154688","22.4744","0.0009","49.168","0.002","12.4218","0.0005","90","","90","","90","","13726.4","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C624 H624 N144 O48 -","48","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","1.54178","CuKα","","0.0892","0.0601","","","0.1599","0.21","","","","","","0.833","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154689","9.1046","0.0002","10.2134","0.0002","19.7287","0.0005","90","","90.687","0.001","90","","1834.42","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C84 H84 N12 O6 -","6","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0421","0.0367","","","0.0841","0.0931","","","","","","0.959","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154690","14.2584","0.0005","14.3343","0.0005","11.7845","0.0004","90","","90","","90","","2408.57","0.14","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1018","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154691","16.085","0.0012","15.4499","0.0015","25.045","0.002","90","","101.694","0.004","90","","6094.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H67 Br N8 O8 -","- C65 H67 Br N8 O8 -","- C260 H268 Br4 N32 O32 -","4","0.5","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0943","0.0701","","","0.1978","0.2204","","","","","","1","","","","has coordinates","171345","2020-10-21","18:00:00",""
"7154692","9.858","0.005","10.06","0.005","15.468","0.008","107.265","0.015","98.346","0.015","94.368","0.016","1437.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl N2 O3 S -","- C33 H25 Cl N2 O3 S -","- C66 H50 Cl2 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1205","0.0569","","","0.1365","0.1599","","","","","","1.018","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154693","9.769","0.0011","13.1644","0.0013","14.4577","0.0014","68.08","0.003","77.97","0.003","75.448","0.003","1655.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Cl2 N2 O3 S -","- C39 H28 Cl2 N2 O3 S -","- C78 H56 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.096","0.0519","","","0.1239","0.1466","","","","","","1.054","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154694","9.7111","0.001","13.1409","0.0015","14.4778","0.0016","68.243","0.003","77.852","0.003","74.805","0.003","1642.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cl3 N2 O3 S -","- C38 H25 Cl3 N2 O3 S -","- C76 H50 Cl6 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1022","0.0534","","","0.1174","0.1357","","","","","","1.022","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154695","10.008","0.0012","13.0276","0.0014","14.4607","0.0016","69.088","0.003","75.86","0.003","75.069","0.003","1677.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cl N2 O4 S -","- C40 H31 Cl N2 O4 S -","- C80 H62 Cl2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.0849","0.0482","","","0.1164","0.1362","","","","","","1.052","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154696","10.6152","0.0019","12.5567","0.0019","15.206","0.002","70.076","0.004","71.09","0.005","65.406","0.005","1692.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl4 N2 O4 S -","- C35 H28 Cl4 N2 O4 S -","- C70 H56 Cl8 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1815","0.0781","","","0.1723","0.2204","","","","","","1.037","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154697","10.8287","0.0012","12.2767","0.0012","14.9417","0.0016","70.307","0.003","71.694","0.003","64.943","0.003","1659.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl3 F N2 O4 S -","- C35 H28 Cl3 F N2 O4 S -","- C70 H56 Cl6 F2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.101","0.0599","","","0.1586","0.1849","","","","","","1.036","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154698","10.1987","0.0013","12.6875","0.0015","13.8047","0.0018","102.851","0.004","96.021","0.004","101.52","0.004","1685.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N2 O3 S -","- C35 H26 Cl2 N2 O3 S -","- C70 H52 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1356","0.065","","","0.1658","0.1865","","","","","","1.05","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154699","17.53","0.003","9.8","0.002","26.749","0.005","90","","92.39","0.03","90","","4591.3","1.5","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C157 H59 Cl3 N2 -","- C157 H59 Cl3 N2 -","- C314 H118 Cl6 N4 -","2","1","","Zhang, Bolong; White, Jonathan M.; Jones, David J.; Wong, Wallace W. H.","Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2015","13","42","10505","10510","10.1039/c5ob01630d","","","0.71073","Synchrotron","","0.1687","0.1435","","","0.3772","0.4076","","","","","","1.579","","","","has coordinates","171354","2020-10-21","18:00:00",""
"7154700","7.467","0.0013","13.272","0.002","16.898","0.003","90","","90","","90","","1674.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0852","0.0889","","","","","","1.045","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154701","9.8536","0.0002","23.1341","0.0005","8.1728","0.0002","90","","91.599","0.0011","90","","1862.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C88 H72 O16 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0694","0.0438","","","0.1087","0.1216","","","","","","1.044","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154702","15.1983","0.0006","7.2853","0.0003","14.9398","0.0005","90","","98.879","0.002","90","","1634.37","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.045","0.0351","","","0.096","0.1041","","","","","","1.04","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154703","16.8761","0.0006","16.8184","0.0006","7.2259","0.0003","90","","90","","90","","2050.92","0.13","304","2","304","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Cl N O2 S -","- C25 H18 Cl N O2 S -","- C100 H72 Cl4 N4 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0343","0.0291","","","0.0739","0.0774","","","","","","1.05","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154704","16.864","0.003","7.2505","0.0013","32.735","0.006","90","","90","","90","","4002.6","1.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 Cl N O2 S -","- C25 H16 Cl N O2 S -","- C200 H128 Cl8 N8 O16 S8 -","8","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.2009","0.1412","","","0.3957","0.4273","","","","","","1.14","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154705","6.1577","0.001","7.3665","0.0013","11.253","0.002","90","","91.935","0.005","90","","510.15","0.15","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(thiophen-3-yl)-1,3-dihydro-2-benzofuran-1-one","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C24 H16 O4 S2 -","2","1","","Yohda, Masaaki; Yamamoto, Yasunori","Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.","Organic & biomolecular chemistry","2015","13","44","10874","10880","10.1039/c5ob01661d","","","0.71075","MoKα","","","0.0442","","","","0.1171","","","","","","0.997","","","","has coordinates","171339","2020-10-21","18:00:00",""
"7154706","9.0781","0.0003","15.5615","0.0006","12.3439","0.0005","90","","95.119","0.001","90","","1736.85","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1 R,3a S,4 S,7 R,7a R)-2-benzoyl-N-(tert-butyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindole-1-carboxamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","de Graaff, C.; Bensch, L.; van Lint, Matthijs J.; Ruijter, E.; Orru, R. V. A.","IBX-mediated oxidation of unactivated cyclic amines: application in highly diastereoselective oxidative Ugi-type and aza-Friedel-Crafts reactions.","Organic & biomolecular chemistry","2015","13","40","10108","10112","10.1039/c5ob01519g","","","1.54184","CuKα","","0.0338","0.033","","","0.0809","0.0817","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154707","13.5456","0.0013","10.4106","0.001","27.394","0.003","90","","96.946","0.002","90","","3834.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-MeOH","","- C40 H35 Cl N10 O8.5 -","- C40 H35 Cl N10 O8.5 -","- C160 H140 Cl4 N40 O34 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1096","0.0893","","","0.2289","0.2431","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154708","13.4052","0.0015","10.3199","0.0012","28.307","0.003","90","","94.87","0.002","90","","3901.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","21-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39.001 H34.002 Cl2.002 N10 O9 -","- C156.004 H136.008 Cl8.008 N40 O36 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1001","0.0845","","","0.2178","0.228","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154709","13.4675","0.0016","10.3791","0.0012","13.7432","0.0016","90","","95.61","0.002","90","","1911.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","22-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0616","0.0532","","","0.1398","0.1496","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154710","13.5062","0.0016","10.3752","0.0012","13.7885","0.0016","90","","95.675","0.003","90","","1922.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","23-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0561","0.0517","","","0.135","0.139","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154711","13.4731","0.0013","10.3806","0.001","13.7581","0.0014","90","","95.674","0.002","90","","1914.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","24-H2O","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0586","0.0535","","","0.1419","0.1465","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154712","6.8637","0.001","11.7729","0.0016","13.271","0.0019","64.589","0.007","84.416","0.008","82.273","0.009","958.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0612","0.044","","","0.1393","0.1513","","","","","","1.041","","","","has coordinates","171331","2020-10-21","18:00:00",""
"7154713","17.682","","10.244","","11.523","","90","","97.04","","90","","2071.48","","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0856","0.0389","","","0.0803","0.0898","","","","","","0.82","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154714","9.895","0.003","11.505","0.005","14.869","0.004","71.806","0.005","80.889","0.002","82.139","0.005","1580.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F6 N5 O2 P -","- C36 H28 F6 N5 O2 P -","- C72 H56 F12 N10 O4 P2 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0756","0.0564","","","0.1374","0.149","","","","","","1.057","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154715","9.816","0.004","11.381","0.004","13.411","0.006","99.225","0.019","92.06","0.02","100.585","0.019","1450.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3 -","- C32 H23 N3 O3 -","- C64 H46 N6 O6 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0611","0.0431","","","0.1047","0.1103","","","","","","1.067","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154716","10.2728","0.0012","10.8678","0.0013","11.397","0.0013","110.392","0.005","108.076","0.005","91.105","0.005","1122.1","0.2","301.5","","301.5","","","","","","","","","4","P -1","-P 1","2","","methyl 3-(morpholino(phenyl)methyl)-2-phenylindolizine-1-carboxylate","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Jung, Youngeun; Kim, Ikyon","C3 functionalization of indolizines via In(iii)-catalyzed three-component reaction.","Organic & biomolecular chemistry","2015","13","45","10986","10994","10.1039/c5ob01657f","","","0.71073","MoKα","","0.0787","0.0479","","","0.1152","0.1309","","","","","","1.019","","","","has coordinates","171334","2020-10-21","18:00:00",""
"7154717","6.707","0.0001","9.455","0.0002","12.934","0.0003","110.616","0.001","95.007","0.001","95.594","0.001","757.49","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","BODIPY1","1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinolin-8-yl]ethanone","","- C16 H10 B Br F2 N2 O2 -","- C16 H10 B Br F2 N2 O2 -","- C32 H20 B2 Br2 F4 N4 O4 -","2","1","","Papalia, T.; Lappano, R.; Barattucci, A.; Pisano, A.; Bruno, G.; Santolla, M. F.; Campagna, S.; De Marco, P.; Puntoriero, F.; De Francesco, E. M.; Rosano, C.; Maggiolini, M.; Bonaccorsi, P.","A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER).","Organic & biomolecular chemistry","2015","13","42","10437","10441","10.1039/c5ob01827g","","","0.71073","MoKα","","0.0345","0.0265","","","0.0608","0.0638","","","","","","1.016","","","","has coordinates","171359","2020-10-21","18:00:00",""
"7154718","10.6388","0.0003","9.0437","0.0003","24.8594","0.0008","90","","90","","90","","2391.83","0.13","99.97","0.1","99.97","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0707","0.072","","","","","","1.043","","","","has coordinates","171333","2020-10-21","18:00:00",""
"7154719","21.3381","0.0009","10.9654","0.0003","25.5553","0.0009","90","","113.186","0.005","90","","5496.5","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H61.56 Cl4.5 N4 O10 -","- C57.5 H61.561 Cl4.5 N4 O10 -","- C230 H246.244 Cl18 N16 O40 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.082","0.0504","","","0.1071","0.1225","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154720","8.7569","0.0006","17.2402","0.0013","12.0556","0.0009","90","","103.439","0.004","90","","1770.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Fe N3 O -","- C18 H14 Cl2 Fe N3 O -","- C72 H56 Cl8 Fe4 N12 O4 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0647","0.0375","","","0.1098","0.1315","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154721","8.5037","0.0011","8.8542","0.0013","13.785","0.002","90.32","0.007","103.174","0.006","101.734","0.006","988","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Fe N3 O -","- C22 H16 Cl2 Fe N3 O -","- C44 H32 Cl4 Fe2 N6 O2 -","2","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.06","0.0405","","","0.1143","0.1382","","","","","","1.153","","","","has coordinates","171348","2020-10-21","18:00:00",""
"7154722","9.942","0.005","16.486","0.005","22.002","0.005","90","0.005","102.222","0.005","90","0.005","3524","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl3 Fe N6 O6 -","- C37 H30 Cl3 Fe N6 O6 -","- C148 H120 Cl12 Fe4 N24 O24 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.1034","0.0623","","","0.1638","0.1898","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154723","28.134","0.008","12.016","0.004","20.69","0.007","90","","97.965","0.011","90","","6927","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Fe N7 O6 -","- C38 H34 Fe N7 O6 -","- C304 H272 Fe8 N56 O48 -","8","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0986","0.0623","","","0.1792","0.2055","","","","","","1.209","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154724","8.708","0.004","6.286","0.003","17.049","0.008","90","","92.583","0.007","90","","932.3","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Zhang, Chun-Lin; Wang, Dong-Ling; Chen, Kun-Quan; Ye, Song","N-Heterocyclic carbene-catalyzed [3 + 3] cyclocondensation of bromoenals with hydrazones: highly enantioselective synthesis of dihydropyridazones.","Organic & biomolecular chemistry","2015","13","46","11255","11262","10.1039/c5ob01748c","","","0.71073","MoKα","","0.0494","0.0452","","","0.1359","0.1396","","","","","","1.016","","","","has coordinates","171326","2020-10-21","18:00:00",""
"7154725","5.2823","0.0003","10.763","0.0007","27.6349","0.0017","90","","90","","90","","1571.14","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R)-1-phenyl-3-(phenylamino)hexane-1,2-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Luo, Lan; Yamamoto, Hisashi","Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening.","Organic & biomolecular chemistry","2015","13","42","10466","10470","10.1039/c5ob01808k","","","1.54178","CuKα","","0.0661","0.051","","","0.1063","0.1134","","","","","","1.087","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154727","8.59","0.0006","9.4711","0.0007","12.6798","0.001","107.793","0.003","92.053","0.003","114.166","0.003","880.65","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","1","0.5","","Zhu, Jianan; Wei, Ying; Lin, Dongqing; Ou, Changjin; Xie, Linghai; Zhao, Yu; Huang, Wei","One-pot synthesis of benzoxaborole derivatives from the palladium-catalyzed cross-coupling reaction of alkoxydiboron with unprotected o-bromobenzylalcohols.","Organic & biomolecular chemistry","2015","13","46","11362","11368","10.1039/c5ob01781e","","","0.71073","MoKα","","0.127","0.0531","","","0.0993","0.1261","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154728","12.2189","0.001","5.8949","0.0004","18.2917","0.0013","90","","105.995","0.002","90","","1266.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br N5 -","- C10 H16 Br N5 -","- C40 H64 Br4 N20 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.1608","0.1344","","","0.4046","0.4318","","","","","","1.711","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154729","10.7823","0.0004","11.5658","0.0003","11.9326","0.0004","90","","90.08","0.003","90","","1488.06","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 I N5 O -","- C11 H18 I N5 O -","- C44 H72 I4 N20 O4 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.0337","0.0276","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154730","7.0673","0.0014","14.647","0.003","15.48","0.003","90","","90","","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Disetti, Paolo; Moccia, Maria; Salazar Illera, Diana; Suresh, Surisetti; Adamo, Mauro F. A.","Catalytic enantioselective addition of isocyanoacetate to 3-methyl-4-nitro-5-styrylisoxazoles under phase transfer catalysis conditions.","Organic & biomolecular chemistry","2015","13","43","10609","10612","10.1039/c5ob01880c","","","0.71073","MoKα","","0.0338","0.0333","","","0.0928","0.0932","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154731","19.1544","0.0007","28.1718","0.0011","19.2631","0.0007","90","","104.865","0.001","90","","10046.8","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cl2 N6 S2 -","- C53 H48 Cl2 N6 S2 -","- C424 H384 Cl16 N48 S16 -","8","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","0.71073","MoKα","","0.0982","0.0784","","","0.2188","0.2358","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154732","12.3573","0.0005","13.8029","0.0001","17.2234","0.0013","71.455","0.015","82.166","0.016","64.049","0.014","2504.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.58 H68.68 Cl0.95 N2 O4 S2 -","- C58.542 H68.598 Cl0.972 N2 O4 S2 -","- C117.084 H137.196 Cl1.944 N4 O8 S4 -","2","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","1.54187","CuKα","","0.0678","0.0584","","","0.1655","0.172","","","","","","1.052","","","","has coordinates,has disorder","171324","2020-10-21","18:00:00",""
"7154734","15.2618","0.0006","13.0327","0.0005","17.7452","0.0008","90","","108.078","0.0012","90","","3355.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 Cu N2 O3 -","- C40 H26 Cu N2 O5.5 -","- C160 H104 Cu4 N8 O22 -","4","2","","Naganawa, Yuki; Aoyama, Tomotaka; Nishiyama, Hisao","Cu(ii)-catalyzed enantioselective oxygen atom transfer from oxaziridine to oxindole derivatives with chiral phenanthroline.","Organic & biomolecular chemistry","2015","13","47","11499","11506","10.1039/c5ob01840d","","","0.71073","MoKa","","0.0603","0.0577","","","0.1798","0.1826","","","","","","1.507","","","","has coordinates","171350","2020-10-21","18:00:00",""
"7154735","9.123","0.0018","14.399","0.003","15.26","0.003","90","","90","","90","","2004.6","0.7","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O9 -","- C17 H23 N O9 -","- C68 H92 N4 O36 -","4","1","","Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier","Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.","Organic & biomolecular chemistry","2015","13","47","11529","11538","10.1039/c5ob01870f","","x-ray","1.54184","Cukα","","0.0789","0.0456","","","0.1032","0.116","","","","","","1.085","","","","has coordinates","171352","2020-10-21","18:00:00",""
"7154736","10.3759","0.0006","5.9408","0.0003","37.263","0.003","90","","90","","90","","2296.9","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 N12 -","- C22 H28 N12 -","- C88 H112 N48 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.0589","0.0496","","","0.1208","0.1286","","","","","","1.041","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7154737","5.8503","0.0009","11.3224","0.0012","24.444","0.004","90","","90.072","0.013","90","","1619.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N15 O2 -","- C30 H39 N15 O2 -","- C60 H78 N30 O4 -","2","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.1158","0.0719","","","0.1638","0.183","","","","","","0.926","","","","has coordinates","171341","2020-10-21","18:00:00",""
"7154738","9.1205","0.0007","22.1481","0.0018","11.2162","0.001","90","","100.14","0.008","90","","2230.3","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","0.71073","MoKα","","0.1176","0.0641","","","0.1317","0.1605","","","","","","1.025","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7154739","9.398","0.002","9.776","0.002","24.059","0.006","90","","90","","90","","2210.4","0.9","296","2","296","2","","","","","","","synthatic","6","P 21 21 21","P 2ac 2ab","19","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","","- C24 H18 Cl N3 O3 S -","- C24 H18 Cl N3 O3 S -","- C96 H72 Cl4 N12 O12 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","1.54178","CuKα","","0.09","0.0573","","","0.1529","0.1969","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154740","18.6953","0.0004","18.6953","0.0004","9.2303","0.0002","90","","90","","120","","2793.9","0.1","123","2","123","2","","","","","","","","4","P -3","-P 3","147","","","","- C21 H27 N O -","- C21 H27 N O -","- C126 H162 N6 O6 -","6","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.0562","0.0477","","","0.1266","0.1352","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154741","23.0565","0.0017","27.3947","0.0017","11.6346","0.0009","90","","90","","90","","7348.7","0.9","123","2","123","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C21 H27 N O -","- C21 H27 N O -","- C336 H432 N16 O16 -","16","2","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0776","0.0511","","","0.0847","0.0942","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154742","17.524","0.002","6.4455","0.0006","19.9254","0.0016","90","","99.422","0.009","90","","2220.2","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N O3 -","- C23 H35 N O3 -","- C92 H140 N4 O12 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.1198","0.0759","","","0.1942","0.234","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154743","18.861","0.001","7.193","0.0003","13.7442","0.0006","90","","90","","90","","1864.64","0.15","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 Cl N O -","- C21 H28 Cl N O -","- C84 H112 Cl4 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0332","0.03","","","0.0691","0.0711","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154744","16.8197","0.0014","6.2849","0.0005","18.193","0.0014","90","","93.24","0.007","90","","1920.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F3 N O1.5 -","- C21 H25 F3 N O1.5 -","- C84 H100 F12 N4 O6 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0727","0.0547","","","0.1108","0.1176","","","","","","1.144","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154745","17.8003","0.0004","6.1791","0.0002","17.0864","0.0003","90","","101.206","0.002","90","","1843.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C84 H96 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0506","0.0404","","","0.0932","0.0999","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154746","9.0335","0.0003","9.8976","0.0003","11.7319","0.0003","95.431","0.003","101.143","0.003","115.147","0.003","912.99","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0439","0.0378","","","0.0956","0.1005","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154747","8.3916","0.0006","10.5116","0.0005","9.3538","0.0006","90","","101.449","0.006","90","","808.67","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F3 N O -","- C7 H12 F3 N O -","- C28 H48 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0678","0.0436","","","0.0946","0.1093","","","","","","1.051","","","","has coordinates","176190","2020-10-21","18:00:00",""
"7154748","18.151","0.004","9.375","0.002","20.204","0.004","90","","95.666","0.004","90","","3421.2","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N3 O6 -","- C39 H35 N3 O6 -","- C156 H140 N12 O24 -","4","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.0951","0.0666","","","0.2","0.2365","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154749","8.685","0.003","14.214","0.004","14.72","0.004","90.883","0.004","105.896","0.004","100.876","0.003","1711.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Br N3 O6 -","- C35 H26 Br N3 O8 -","- C70 H52 Br2 N6 O16 -","2","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.1335","0.1213","","","0.3624","0.3775","","","","","","1.779","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154750","23.3264","0.0013","8.0732","0.0005","10.6434","0.0006","90","","92.206","0.005","90","","2002.9","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Methyl 5-ethoxy-1-(4-fluorobenzyl)-3-(4-methoxyphenyl) -pyrrole-2-carboxylate","","- C22 H22 F N O4 -","- C22 H22 F N O4 -","- C88 H88 F4 N4 O16 -","4","1","","de la Cruz, Fabiola N.; López, Julio; Jiménez-Halla, J Óscar C; Flores-Álamo, Marcos; Tamaríz, Joaquín; Delgado, Francisco; Vázquez, Miguel A","Synthesis of novel polysubstituted N-benzyl-1H-pyrroles via a cascade reaction of alkynyl Fischer carbenes with α-imino glycine methyl esters.","Organic & biomolecular chemistry","2015","13","48","11753","11760","10.1039/c5ob01655j","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1156","0.1308","","","","","","1.026","","","","has coordinates","171328","2020-10-21","18:00:00",""
"7154751","14.9722","0.0005","15.3987","0.0005","21.4056","0.0006","96.271","0.002","101.891","0.002","99.527","0.002","4709.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","2","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0682","0.0458","","","0.1126","0.1264","","","","","","0.993","","","","has coordinates","171325","2020-10-21","18:00:00",""
"7154752","14.4979","0.0013","12.8321","0.0012","30.827","0.003","90","","99.131","0.004","90","","5662.3","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cl2 N4 O2 Ti -","- C62 H70 Cl2 N4 O2 Ti -","- C248 H280 Cl8 N16 O8 Ti4 -","4","1","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0616","0.0427","","","0.0949","0.1044","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154753","21.982","0.001","12.4352","0.0006","19.3445","0.0013","90","","123.724","0.001","90","","4398","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O2 -","- C50 H60 N4 O2 -","- C200 H240 N16 O8 -","4","0.5","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0781","0.0705","","","0.208","0.2185","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154754","8.8259","0.0013","14.64","0.002","19.755","0.003","90","","90","","90","","2552.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O4 S -","- C27 H24 F3 N O4 S -","- C108 H96 F12 N4 O16 S4 -","4","1","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.0472","0.0371","","","0.0961","0.102","","","","","","1.027","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154755","7.7634","0.0011","12.5816","0.0016","17.744","0.002","74.284","0.003","88.867","0.003","82.156","0.003","1652.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.076","0.0584","","","0.1561","0.1732","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154756","5.927","0.005","8.999","0.005","13.598","0.005","106.549","0.005","97.092","0.005","94.09","0.005","685.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dimethyl 5-chloro-2-(2-diazoacetyl)phenylphosphoramidate","","- C10 H11 Cl N3 O4 P -","- C10 H11 Cl N3 O4 P -","- C20 H22 Cl2 N6 O8 P2 -","2","1","","Pramanik, Mukund M. D.; Rastogi, Namrata","Synthesis of α-diazo-β-keto esters, phosphonates and sulfones via acylbenzotriazole-mediated acylation of a diazomethyl anion.","Organic & biomolecular chemistry","2015","13","47","11567","11571","10.1039/c5ob01975c","","","0.71069","MoKα","","0.1159","0.0565","","","0.1252","0.1463","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154757","12.82","0.0005","14.667","0.0007","12.6709","0.0007","90","","101.774","0.005","90","","2332.4","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3+2] + DA product","compound 18","","- C26 H33 Cl O4 -","- C26 H33 Cl O4 -","- C104 H132 Cl4 O16 -","4","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.7107","MoKα","","0.0833","0.0488","","","0.0944","0.1114","","","","","","1.03","","","","has coordinates","176199","2020-10-21","18:00:00",""
"7154758","9.418","0.002","10.301","0.003","10.919","0.003","75.398","0.015","77.071","0.016","72.538","0.015","965.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[3+2] product","compound 8","","- C21 H27 Cl O2 -","- C21 H27 Cl O2 -","- C42 H54 Cl2 O4 -","2","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.71073","MoKα","","0.0762","0.0654","","","0.1469","0.153","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154759","10.9164","0.0003","16.2651","0.0004","19.0039","0.0005","90","","93.2134","0.0009","90","","3368.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 P -","- C36 H44 F6 N3 P -","- C144 H176 F24 N12 P4 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1204","0.1252","","","","","","1.059","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154760","11.1337","0.0005","24.2066","0.001","15.0351","0.0006","90","","107.57","0.001","90","","3863.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F6 N3 O6 S2 -","- C38 H45 F6 N3 O6 S2 -","- C152 H180 F24 N12 O24 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.052","0.0372","","","0.0899","0.0989","","","","","","1.039","","","","has coordinates","176146","2020-10-21","18:00:00",""
"7154761","10.9261","0.0005","12.7024","0.0005","17.0382","0.0007","90","","96.0531","0.0013","90","","2351.51","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Br0.68 Cl0.32 N2 O4 S2 -","- C22 H29 Br0.682 Cl0.319 N2 O4 S2 -","- C88 H116 Br2.728 Cl1.276 N8 O16 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","1.54178","CuKα","","0.0505","0.0488","","","0.1115","0.1124","","","","","","1.098","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154762","19.6192","0.0013","19.6192","0.0013","22.6973","0.0015","90","","90","","120","","7566","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H22 Br6 N3 -","- C8 H19 Br3.5 N3 -","- C144 H342 Br63 N54 -","18","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0547","0.045","","","0.1347","0.1404","","","","","","1.095","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154764","8.7898","0.0008","21.266","0.002","10.9725","0.0011","90","","106.651","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0563","0.0397","","","0.1192","0.1344","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154765","15.3958","0.0019","9.1841","0.0011","16.013","0.002","90","","116.983","0.002","90","","2017.7","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0303","0.0268","","","0.0704","0.072","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154766","8.366","0.0006","11.2874","0.0008","12.1577","0.0009","86.279","0.002","71.427","0.001","82.812","0.002","1079.33","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C46 H44 Cl2 N2 O4 S2 -","2","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0532","0.0445","","","0.1293","0.1396","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154767","7.9496","0.0002","8.5205","0.0002","9.6732","0.0002","108.919","0.0009","98.719","0.001","103.047","0.001","585.57","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Yevglevskis, Maksims; Lee, Guat L.; Sun, Jenny; Zhou, Shiyi; Sun, Xiaolong; Kociok-Köhn, Gabriele; James, Tony D.; Woodman, Timothy J.; Lloyd, Matthew D.","A study on the AMACR catalysed elimination reaction and its application to inhibitor testing.","Organic & biomolecular chemistry","2015","14","2","612","622","10.1039/c5ob01541c","","","0.71073","MoKα","","0.064","0.0463","","","0.1216","0.1323","","","","","","1.063","","","","has coordinates","176140","2020-10-21","18:00:00",""
"7154768","21.832","0.002","5.1765","0.0005","18.5849","0.0019","90","","103.747","0.002","90","","2040.2","0.3","303.9","","303.9","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl N2 O -","- C25 H19 Cl N2 O -","- C100 H76 Cl4 N8 O4 -","4","1","","Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun","Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.","Organic & biomolecular chemistry","2015","14","2","623","630","10.1039/c5ob01656h","","","0.71073","MoKα","","0.1098","0.065","","","0.1376","0.1556","","","","","","1.064","","","","has coordinates,has disorder","176137","2020-10-21","18:00:00",""
"7154771","10.604","0.002","10.844","0.002","11.111","0.003","90","","100.939","0.005","90","","1254.4","0.5","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka","Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.","Organic & biomolecular chemistry","2015","14","2","694","700","10.1039/c5ob02032h","","","0.71073","MoKα","","0.0614","0.0533","","","0.1495","0.1622","","","","","","1.068","","","","has coordinates","176136","2020-10-21","18:00:00",""
"7154772","8.0622","0.0003","8.0832","0.0005","19.3119","0.0011","96.786","0.005","92.066","0.004","103.632","0.004","1211.84","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O3 S4 -","- C24 H24 O3 S4 -","- C48 H48 O6 S8 -","2","1","","Ramulu, B. Janaki; Koley, Suvajit; Singh, Maya Shankar","Metal-free Brønsted acid mediated synthesis of fully substituted thiophenes via chemo- and regioselective intramolecular cyclization of α,α'-bis(β-oxodithioesters) at room temperature.","Organic & biomolecular chemistry","2015","14","2","434","439","10.1039/c5ob02081f","","","0.71073","MoKα","","0.0797","0.0494","","","0.1407","0.1714","","","","","","0.874","","","","has coordinates","176139","2020-10-21","18:00:00",""
"7154775","14.489","0.008","16.788","0.01","15.691","0.009","90","","97.627","0.009","90","","3783","4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C168 H192 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.1542","0.0674","","","0.1246","0.1585","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154776","14.6367","0.0004","17.6967","0.0004","15.064","0.0004","90","","94.45","0.002","90","","3890.13","0.17","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 F3 N6 O3 -","- C42 H45 F3 N6 O3 -","- C168 H180 F12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0788","0.0524","","","0.1087","0.1214","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154777","14.606","0.0004","18.7364","0.0005","14.7922","0.0004","90","","92.42","0.002","90","","4044.48","0.19","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 N6 O3 -","- C42 H45 Cl3 N6 O3 -","- C168 H180 Cl12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0717","0.049","","","0.0997","0.1088","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154778","14.5208","0.0002","19.0262","0.0003","14.9678","0.0002","90","","91.832","0.001","90","","4133.12","0.1","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 O3 -","- C42 H45 Br3 N6 O3 -","- C168 H180 Br12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0257","0.0255","","","0.0672","0.0674","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154779","11.231","0.0003","16.5478","0.0004","16.658","0.0004","60.773","0.002","70.814","0.002","73.664","0.002","2524.11","0.12","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H59 N6 O6.5 -","- C47 H59 N6 O6.5 -","- C94 H118 N12 O13 -","2","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0569","0.054","","","0.1516","0.1559","","","","","","1.058","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7154780","18.74","0.003","18.74","0.003","22.056","0.003","90","","90","","120","","6708.1","1.8","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0465","0.0427","","","0.1151","0.1172","","","","","","1.096","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154781","18.64","0.003","18.64","","22.083","0.003","90","","90","","120","","6644.8","1.4","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0677","0.051","","","0.1206","0.1271","","","","","","1.058","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154782","14.177","0.002","21.094","0.003","32.557","0.004","90","","90","","90","","9736","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H102 Cl8 N6 O4 -","- C104 H102 Cl8 N6 O4 -","- C416 H408 Cl32 N24 O16 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54187","CuKα","","0.0614","0.0582","","","0.1704","0.1755","","","","","","1.046","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154783","15.145","0.0004","21.42","0.0004","25.216","0.0006","90","","90","","90","","8180.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100.5 H92.25 N6.75 O3 -","- C100.5 H92.25 N6.75 O3 -","- C402 H369 N27 O12 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.08","0.0542","","","0.1304","0.145","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154784","5.391","0.0006","5.4434","0.0006","11.1433","0.0012","84.283","0.008","78.772","0.009","68.545","0.007","298.37","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid","","- C6 H7 F O2 -","- C6 H7 F O2 -","- C12 H14 F2 O4 -","2","1","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0884","0.0567","","","0.1333","0.1499","","","","","","1.041","","","","has coordinates","171330","2020-10-21","18:00:00",""
"7154785","18.9983","0.0006","11.2142","0.0003","20.2881","0.0007","90","","90","","90","","4322.4","0.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-butyl (3-fluorobicyclo[1.1.1]pentan-1-yl)carbamate","","- C10 H16 F N O2 -","- C10 H16 F N O2 -","- C160 H256 F16 N16 O32 -","16","2","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0755","0.0456","","","0.1013","0.1183","","","","","","1.019","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154786","20.8723","0.0011","5.5406","0.0003","9.5443","0.0005","90","","90","","90","","1103.75","0.1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-bis(3-fluorobicyclo[1.1.1]pentan-1-yl)urea","","- C11 H14 F2 N2 O -","- C11 H14 F2 N2 O -","- C44 H56 F8 N8 O4 -","4","0.5","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0712","0.0428","","","0.0958","0.1129","","","","","","1.037","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154787","10.5994","0.0008","14.6173","0.0014","16.0206","0.0013","91.305","0.003","90.921","0.003","103.62","0.004","2411.1","0.4","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S18 -","- C42 H30 S18 -","- C84 H60 S36 -","2","1","","Parker, Christian R.; Lincke, Kasper; Christensen, Mikkel A.; Lušpai, Karol; Rapta, Peter; Sørensen, Thomas Just; Morsing, Thorbjørn J; Du, Lin; Kjaergaard, Henrik G.; Hammerich, Ole; Diederich, François; Nielsen, Mogens Brøndsted","On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes.","Organic & biomolecular chemistry","2015","14","2","425","429","10.1039/c5ob02087e","","","0.71073","MoKα","","0.1132","0.052","","","0.0798","0.0966","","","","","","1.0012","","","","has coordinates","176138","2020-10-21","18:00:00",""
"7154791","11.707","0.005","6.566","0.005","12.828","0.005","90","0","102.872","0.005","90","0","961.3","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0277","0.0274","","","0.0691","0.0695","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154792","10.585","0.005","6.81","0.005","13.05","0.005","90","0","109.415","0.005","90","0","887.2","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0266","0.0257","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154793","9.1914","0.0002","17.0779","0.0003","10.5669","0.0002","90","","98.692","0.002","90","","1639.63","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Monomethyl (S)-pyrrolidin-2-ylmethyl 3-bromobenzoate-(1R,2R)-1-(3,4,5-trimethoxyphenyl)-6,7-methylenedioxy-1,2-dihydronaphthalene-2,3-dicarboxylate amide ester","","- C35 H34 Br N O10 -","- C35 H34 Br N O10 -","- C70 H68 Br2 N2 O20 -","2","1","","Lisiecki, Kamil; Krawczyk, Krzysztof K.; Roszkowski, Piotr; Maurin, Jan K.; Czarnocki, Zbigniew","Formal synthesis of (-)-podophyllotoxin through the photocyclization of an axially chiral 3,4-bisbenzylidene succinate amide ester - a flow photochemistry approach.","Organic & biomolecular chemistry","2015","14","2","460","469","10.1039/c5ob01844g","","","1.54184","CuKα","","0.0822","0.059","","","0.1468","0.1643","","","","","","1.032","","","","has coordinates","176143","2020-10-21","18:00:00",""
"7154795","8.046","0.006","9.777","0.007","10.002","0.007","112.309","0.011","91.342","0.011","95.164","0.012","723.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I N2 O3 -","- C14 H13 I N2 O3 -","- C28 H26 I2 N4 O6 -","2","1","","Sun, Meng; Chen, Xiangxiang; Zhang, Liang; Sun, Wei; Wang, Zhe; Guo, Peiyu; Li, Ya-Min; Yang, Xiao-Juan","Efficient, versatile and practical palladium-catalyzed highly regioselective ortho-halogenation of azoxybenzenes.","Organic & biomolecular chemistry","2015","14","1","323","329","10.1039/c5ob02153g","","","0.71073","MoKα","","0.0627","0.0467","","","0.1318","0.1911","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154796","15.2163","0.0004","29.527","0.0015","20.3699","0.001","90","","92.916","0.003","90","","9140.2","0.7","123","2","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.62 H124.18 Cl7.05 N6 O10 -","- C89.612 H124.183 Cl7.041 N6 O10 -","- C358.448 H496.732 Cl28.164 N24 O40 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2346","0.0878","","","0.1596","0.2164","","","","","","1.011","","","","has coordinates,has disorder","176145","2020-10-21","18:00:00",""
"7154797","15.2333","0.0007","29.5603","0.0013","20.3969","0.0005","90","","92.992","0.002","90","","9172.2","0.6","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88.35 H120.9 Cl7.34 N6 O10.32 -","- C88.353 H120.897 Cl7.335 N6 O10.318 -","- C353.412 H483.588 Cl29.34 N24 O41.272 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2857","0.1139","","","0.2254","0.3056","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154800","6.9535","0.0001","8.5937","0.0001","30.8423","0.0005","90","","90","","90","","1843.02","0.05","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzene","2,5-Dimethyl-1-[4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenyl]-1H-pyrrole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min","Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.","Organic & biomolecular chemistry","2015","14","1","265","276","10.1039/c5ob02101d","","","0.71073","MoKα","","0.0512","0.0404","","","0.108","0.116","","","","","","1.038","","","","has coordinates","176191","2020-10-21","18:00:00",""
"7154801","6.82581","0.00005","12.0234","0.00007","14.6468","0.00009","90","","90","","90","","1202.06","0.013","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,7S,8aS)-1,2,7-trihydroxy-5,5-dimethyloctahydro-1H-indolizin-4-ium chloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","x-ray","1.54184","CuKα","","0.022","0.0217","","","0.0578","0.058","","","","","","1.034","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154802","7.96665","0.00007","10.06647","0.0001","31.833","0.0003","90","","90","","90","","2552.88","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol","","- C23 H43 N O7 Si -","- C23 H43 N O7 Si -","- C92 H172 N4 O28 Si4 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","","1.54184","CuKα","","0.0286","0.0278","","","0.0713","0.072","","","","","","1.041","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154804","9.4301","0.0006","9.8683","0.0006","11.5227","0.0008","81.308","0.002","68.13","0.002","68.113","0.002","923.3","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0527","0.0403","","","0.1065","0.1185","","","","","","1.08","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154805","8.8536","0.0005","11.684","0.0007","16.873","0.001","90","","98.782","0.002","90","","1724.97","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C80 H60 N12 O24 -","4","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0528","0.0354","","","0.0758","0.0854","","","","","","1.037","","","","has coordinates","176194","2020-10-21","18:00:00",""
"7154841","12.5638","0.0005","13.9738","0.0005","18.3524","0.0006","87.76","0.002","87.387","0.002","89.741","0.002","3216.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H46 N9 O0.5 -","- C33 H46 N9 O0.5 -","- C132 H184 N36 O2 -","4","2","","Lippe, Jan; Seichter, Wilhelm; Mazik, Monika","Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues.","Organic & biomolecular chemistry","2015","13","48","11622","11632","10.1039/c5ob01757b","","","0.71073","MoKα","","0.065","0.0475","","","0.1178","0.1298","","","","","","1.032","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154842","9.7878","0.0008","10.215","0.0008","12.0649","0.001","93.455","0.002","95.974","0.002","109.227","0.002","1127.05","0.16","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","18b","","- C21 H29 F3 N2 O5 -","- C21 H29 F3 N2 O5 -","- C42 H58 F6 N4 O10 -","2","1","","Lesma, Giordano; Bassanini, Ivan; Bortolozzi, Roberta; Colletto, Chiara; Bai, Ruoli; Hamel, Ernest; Meneghetti, Fiorella; Rainoldi, Giulia; Stucchi, Mattia; Sacchetti, Alessandro; Silvani, Alessandra; Viola, Giampietro","Complementary isonitrile-based multicomponent reactions for the synthesis of diversified cytotoxic hemiasterlin analogues.","Organic & biomolecular chemistry","2015","13","48","11633","11644","10.1039/c5ob01882j","","x-ray","0.71073","MoKα","","0.0604","0.0527","","","0.153","0.1633","","","","","","1.063","","","","has coordinates","170886","2020-10-21","18:00:00",""
"7154859","16.6008","0.0008","13.5612","0.0007","21.8151","0.0011","90","","106.926","0.001","90","","4698.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-chloro-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((phenylthio)imino)-3,4,5,6,7,8-hexahydro-2H-chromene-3-carbonitrile","","- C24 H20 Cl2 N2 O2 S -","- C24 H20 Cl2 N2 O2 S -","- C192 H160 Cl16 N16 O16 S8 -","8","2","","Kale, Ashok; Chennapuram, Madhu; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One pot oxidative N-S bond formation to access 2-sulfenylimine chromenes.","Organic & biomolecular chemistry","2015","14","2","582","589","10.1039/c5ob01790d","","","0.71073","MoKα","","0.0842","0.0633","","","0.1341","0.1452","","","","","","1.128","","","","has coordinates","172040","2020-10-21","18:00:00",""
"7154860","16.6528","0.0007","6.6881","0.0003","13.5348","0.0006","90","","113.809","0.002","90","","1379.16","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-carbonylbis(4<i>H</i>-chromen-4-one)","","- C19 H10 O5 -","- C19 H10 O5 -","- C76 H40 O20 -","4","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0484","0.041","","","0.1032","0.1076","","","","","","1.021","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7154861","6.9459","0.0003","8.6534","0.0004","14.8426","0.0007","74.281","0.002","81.211","0.002","68.824","0.002","799.27","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","3,3'-carbonylbis(6-methoxy-4<i>H</i>-chromen-4-one)","","- C21 H14 O7 -","- C21 H14 O7 -","- C42 H28 O14 -","2","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0491","0.0387","","","0.0984","0.1057","","","","","","1.062","","","","has coordinates","172041","2020-10-21","18:00:00",""
"7157216","9.1475","0.0003","22.3413","0.0007","12.6753","0.0004","90","","100.559","0.001","90","","2546.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H97 N7 O6 S -","- C43 H97 N7 O6 S -","- C86 H194 N14 O12 S2 -","2","1","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0308","0.0306","","","0.0811","0.0813","","","","","","1.025","","","","has coordinates","233465","2020-10-21","18:00:00",""
"7157217","22.1618","0.0009","23.5118","0.0009","26.7043","0.0011","95.763","0.002","102.319","0.002","108.227","0.002","12701","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H107.75 N10 O8.5 S -","- C56 H107.75 N10 O8.5 S -","- C448 H862 N80 O68 S8 -","8","4","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.1426","0.1141","","","0.3157","0.3477","","","","","","1.041","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7157218","59.086","0.002","9.0002","0.0004","18.4644","0.0006","90.05","0.002","105.8","0.002","89.986","0.002","9448.1","0.6","100","2","100","2","","","","","","","","5","C 1","C 1","1","","","","- C57 H109 N11 O8 S -","- C57 H108.999 N11 O8 S -","- C342 H653.992 N66 O48 S6 -","6","","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0596","0.0534","","","0.1353","0.1418","","","","","","1.017","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7216036","26.3136","0.0001","26.3136","0.0001","26.3136","0.0001","90","","90","","90","","18219.7","0.12","153","2","153","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","UHM-31","","","- C34 H37 Cu3 F2 O19 -","- C18 H4.02 Cu3 F1.98 O15 -","- C288 H64.32 Cu48 F31.68 O240 -","16","0.0833333","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0668","0.0599","","","0.2127","0.2212","","","","","","1.146","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216037","10.8304","0.0001","11.9985","0.0001","15.496","0.0002","90","","95.227","0.001","90","","2005.31","0.04","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UHM-32","","","- C17 H21 Cu2 F N2 O9 -","- C17 H21 Cu2 F N2 O9 -","- C68 H84 Cu8 F4 N8 O36 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0488","0.0461","","","0.1144","0.1168","","","","","","1.026","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216038","11.8906","0.0001","11.6262","0.0001","14.501","0.0001","90","","91.671","0.001","90","","2003.8","0.03","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","UHM-33","","","- C17 H21 Cu F N2 O8 -","- C17 H21 Cu F N2 O8 -","- C68 H84 Cu4 F4 N8 O32 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0436","0.043","","","0.1095","0.1099","","","","","","1.052","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218069","8.6456","0.0016","12.31","0.002","22.758","0.004","98.677","0.002","92.478","0.002","104.114","0.002","2314","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Br2 -","- C56 H58 Br2 -","- C112 H116 Br4 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.117","0.0781","","","0.1845","0.2075","","","","","","1.064","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218070","11.1014","0.0009","11.6074","0.0009","17.9752","0.0014","101.916","0.001","105.051","0.001","92.108","0.001","2178.6","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H60 -","- C56 H60 -","- C112 H120 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.05","0.042","","","0.1075","0.1136","","","","","","1.041","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218180","14.052","0.003","10.029","0.003","18.994","0.005","90","","101.069","0.003","90","","2627","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C24 H24 Br2 F5 N5 O3 -","- C24 H24 Br2 F5 N5 O3 -","- C96 H96 Br8 F20 N20 O12 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.1993","0.0693","","","0.148","0.1801","","","","","","0.925","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218262","12.2796","0.0006","11.7459","0.0004","15.808","0.0009","90","","102.781","0.005","90","","2223.57","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1229","0.0597","","","0.1079","0.1339","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218263","16.581","0.005","11.236","0.005","14.597","0.005","90","0.005","90","0.005","90","0.005","2719.5","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1184","0.0975","","","0.2822","0.3089","","","","","","1.199","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218264","6.4263","0.0003","12.9536","0.0005","23.9037","0.0011","90","","97.062","0.005","90","","1974.74","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.095","0.0586","","","0.1367","0.1621","","","","","","1.025","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218288","29.745","0.011","5.802","0.002","19.967","0.008","90","","112.103","0.004","90","","3193","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","","Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun","Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions","Green Chem.","2015","17","1","209","","10.1039/C4GC01515K","","","0.71073","MoKα","","0.0593","0.0525","","","0.1152","0.119","","","","","","1.118","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218306","8.3326","0.0004","10.378","0.0005","16.5929","0.0009","87.46","0.003","77.784","0.003","74.322","0.003","1350.09","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N4 O7 -","- C28 H30 Cu N4 O7 -","- C56 H60 Cu2 N8 O14 -","2","1","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1205","0.0652","","","0.167","0.2012","","","","","","1.028","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218307","29.5458","0.0009","6.3519","0.0002","18.5588","0.0006","90","","125.32","0.002","90","","2841.88","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1121","0.0624","","","0.1577","0.1864","","","","","","1.009","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218347","7.3275","0.0005","8.5017","0.0006","13.4868","0.0009","84.83","0.006","86.312","0.006","74.381","0.006","805.16","0.1","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0692","0.0643","","","0.175","0.1783","","","","","","1.123","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218348","9.2353","0.0004","9.5741","0.0004","15.2398","0.0007","92.225","0.004","94.475","0.004","92.593","0.004","1340.8","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0617","0.0666","","","","","","1.016","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218349","23.6028","0.0006","25.1893","0.0008","7.6207","0.0002","90","","90","","90","","4530.8","0.2","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H36 I6 N4 -","- C18 H36 I6 N4 -","- C108 H216 I36 N24 -","6","0.75","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0886","0.0543","","","0.0878","0.1011","","","","","","1.119","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218351","8.1603","0.0006","9.2796","0.0008","11.8828","0.0005","96.851","0.005","90.584","0.005","111.27","0.007","831.14","0.11","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0512","0.0442","","","0.1093","0.1167","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218353","8.8468","0.0005","9.2378","0.0004","13.5621","0.0008","102.188","0.003","92.217","0.002","106.349","0.003","1033.87","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0514","0.0408","","","0.0737","0.078","","","","","","1.129","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218373","12.771","0.003","14.579","0.003","16.377","0.003","106.53","0.03","105.21","0.03","91.3","0.03","2805.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 I N O5 S -","- C30 I N O5 S -","- C60 I2 N2 O10 S2 -","2","1","","Xu, Shijie; Liu, Jianquan; Hu, Donghua; Bi, Xihe","Metal-free hydroacyloxylation and hydration reactions of ynamides: synthesis of α-acyloxyenamides and N-acylsulfonamides","Green Chem.","2015","17","1","184","","10.1039/C4GC01328J","","","0.71073","MoKα","","0.5924","0.5622","","","0.8534","0.8781","","","","","","5.814","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7218396","7.5759","0.0006","11.0478","0.001","23.488","0.002","90","","90","","90","","1965.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 -","- C22 H22 Cl N O2 -","- C88 H88 Cl4 N4 O8 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0956","0.0577","","","0.1418","0.1606","","","","","","0.997","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218397","10.0101","0.001","10.7765","0.001","15.5711","0.0014","90","","93.9","0.003","90","","1675.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0771","0.0551","","","0.132","0.1459","","","","","","1.047","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218398","10.6004","0.0018","13.375","0.002","16.069","0.002","82.836","0.004","71.805","0.005","89.343","0.005","2146.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","2","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.1751","0.0778","","","0.1928","0.2233","","","","","","0.964","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218407","17.5227","0.0016","11.7243","0.001","16.7131","0.0015","90","","112.255","0.002","90","","3177.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N3 O10 U2 -","- C8 H10 N3 O10 U2 -","- C64 H80 N24 O80 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0845","0.0609","","","0.1731","0.185","","","","","","1.049","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218408","7.9487","0.0005","19.0021","0.0011","10.5863","0.0006","90","","95.645","0.001","90","","1591.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0461","0.0285","","","0.0533","0.0581","","","","","","0.989","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218409","7.2325","0.0016","16.469","0.004","17.315","0.004","90","","100.814","0.003","90","","2025.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O10.5 U2 -","- C2 H7 N O10.5 U2 -","- C16 H56 N8 O84 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0871","0.0505","","","0.0939","0.1081","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218420","26.51","0.003","26.51","0.003","26.51","0.003","90","","90","","90","","18631","4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","DUT-6-boron","DUT-6","","- C121.5 H206.5 B1.33 N15.5 O28.5 Zn4 -","- C44 H36 B1.33333 O13 Zn4 -","- C264 H216 B8 O78 Zn24 -","6","0.125","","Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker","CrystEngComm","2015","17","2","307","","10.1039/C4CE01400F","","x-ray","0.88561","synchrotron","","0.1383","0.1167","","","0.3529","0.3864","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218434","7.563","0.006","8.34","0.007","9.721","0.006","68.15","0.03","79.933","0.015","63.506","0.009","509.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0637","0.0615","","","0.1737","0.1754","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218435","12.584","0.002","11.4846","0.0019","15.765","0.003","90","","101.664","0.002","90","","2231.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N12 O3 -","- C20 H20 Cd N12 O3 -","- C80 H80 Cd4 N48 O12 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0447","0.0321","","","0.0721","0.0785","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218436","7.784","0.004","13.039","0.006","11.761","0.005","90","","93.106","0.006","90","","1191.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cd N12 O4 -","- C20 H22 Cd N12 O4 -","- C40 H44 Cd2 N24 O8 -","2","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1225","0.1051","","","0.3042","0.3133","","","","","","1.041","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218437","13.27","0.004","13.217","0.004","6.92","0.002","90","","100.561","0.003","90","","1193.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cd Cl N6 O -","- C10 H9 Cd Cl N6 O -","- C40 H36 Cd4 Cl4 N24 O4 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0425","0.0392","","","0.1108","0.1127","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218438","9.7741","0.0008","7.3309","0.0006","16.1973","0.0014","90","","105.005","0.001","90","","1121.01","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd Cl N6 -","- C10 H7 Cd Cl N6 -","- C40 H28 Cd4 Cl4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0199","0.0178","","","0.0438","0.0449","","","","","","1.06","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218439","4.268","0.003","8.108","0.005","17.578","0.011","95.734","0.009","94.064","0.008","103.239","0.008","586.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1699","0.0672","","","0.1154","0.1439","","","","","","1.017","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218440","9.8675","0.0015","7.7516","0.0013","17.034","0.003","90","","107.209","0.002","90","","1244.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd I N6 -","- C10 H7 Cd I N6 -","- C40 H28 Cd4 I4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0268","0.0231","","","0.062","0.0643","","","","","","1.001","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218471","11.622","0.005","22.213","0.005","11.896","0.005","90","0.005","112.738","0.005","90","0.005","2832.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N6 O44 Si W12 -","- C30 H24 Cu2 N6 O44 Si W12 -","- C60 H48 Cu4 N12 O88 Si2 W24 -","2","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.1126","0.0943","","","0.2013","0.2108","","","","","","1.21","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218472","16.044","0.005","21.276","0.005","11.001","0.005","90","0.005","110.46","0.005","90","0.005","3518","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H20 Cu N6 O46 Si W12 -","- C48 H20 Cu N6 O46 Si W12 -","- C96 H40 Cu2 N12 O92 Si2 W24 -","2","0.25","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.0573","0.0423","","","0.1203","0.1424","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218473","24.737","0.005","10.601","0.005","20.038","0.005","90","0.005","99.405","0.005","90","0.005","5184","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N8 O42 Si W12 -","- C24 H20 Cu N8 O42 Si W12 -","- C96 H80 Cu4 N32 O168 Si4 W48 -","4","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.055","0.0455","","","0.1095","0.1163","","","","","","1.133","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218476","11.5706","0.0004","15.5144","0.0005","16.0571","0.0006","90","","90","","90","","2882.42","0.17","150","2","150","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide","","- C22 H23 F8 I3 O2 S -","- C22 H23 F8 I3 O2 S -","- C88 H92 F32 I12 O8 S4 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1416","0.1641","","","","","","1.134","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218524","12.7505","0.0005","18.627","0.0008","20.5062","0.0005","85.451","0.003","86.386","0.003","72.095","0.004","4616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77.61 Cd3 Cl6 N21 O1.87 -","- C99 H77.6121 Cd3 Cl6 N21 O1.8707 -","- C198 H155.224 Cd6 Cl12 N42 O3.7414 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","1.54178","CuKα","","0.0556","0.047","","","0.1235","0.1344","","","","","","1.045","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218525","33.9556","0.0012","12.561","0.0005","25.2278","0.0008","90","","123.31","0.001","90","","8992.3","0.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cd Cl2 N10 O -","- C48 H36 Cd Cl2 N10 O -","- C384 H288 Cd8 Cl16 N80 O8 -","8","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","x-ray","0.71073","MoKα","","0.0542","0.0379","","","0.1178","0.1293","","","","","","1.052","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7218526","15.7677","0.0007","18.5983","0.0008","21.5286","0.0012","115.511","0.001","90.072","0.002","114.366","0.001","5065.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 Cd3 Cl6 N20 -","- C96 H68 Cd3 Cl6 N20 -","- C192 H136 Cd6 Cl12 N40 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","0.71073","MoKα","","0.1389","0.0663","","","0.1872","0.2389","","","","","","0.834","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S‒I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218557","14.5118","0.0003","12.1374","0.0002","7.54977","0.00011","90","","91.1131","0.001","90","","1329.53","0.04","298","2","298","","","","100","","","","LASSBio","5","P 1 21/c 1","-P 2ybc","14","LASSBio-1289","(E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan","Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative","CrystEngComm","2015","17","1","165","","10.1039/C4CE02011A","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0062","1.161","","","","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218560","9.072","0.0018","13.14","0.003","30.7","0.006","92.72","0.03","90.2","0.03","90.01","0.03","3655.5","1.3","293","1","100","","","","","","","","","5","P -1","-P 1","2","Y85","","","- C70 H78 Cd2 N14 O16 -","- C70 H78 Cd2 N14 O16 -","- C140 H156 Cd4 N28 O32 -","2","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","Synchrotron","","0.0953","0.0872","","","0.2533","0.2594","","","","","","1.158","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218561","15.5064","0.001","11.7116","0.0008","29.7359","0.0019","90","","103.601","0.0012","90","","5248.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd N3 O6 -","- C24 H16 Cd N2 O5 -","- C192 H128 Cd8 N16 O40 -","8","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","MoKα","","0.0569","0.0334","","","0.0647","0.0682","","","","","","0.998","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218562","11.4437","0.0004","22.5577","0.0008","8.1293","0.0003","90","","90","","90","","2098.53","0.13","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","1","","Li, Wenjun; Du, Zhiyun; Zhang, Kun; Wang, Jian","Organocatalytic 1,3-dipolar cycloaddition reaction of α,β-unsaturated ketones with azides through iminium catalysis","Green Chem.","2015","17","2","781","","10.1039/C4GC01929F","","","0.71073","MoKα","","0.0282","0.0219","","","0.0576","0.0597","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218563","16.4264","0.0014","10.8002","0.0009","17.5844","0.0015","90","","96.397","0.001","90","","3100.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H0 Mo8 N8 O26 -","- C40 Mo8 N8 O26 -","- C80 Mo16 N16 O52 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.0701","0.052","","","0.1348","0.1489","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218564","15.6345","0.0009","12.1211","0.0007","16.5893","0.001","90","","94.603","0.001","90","","3133.7","0.3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H0 Mo8 N4 O27 -","- C44 Mo8 N4 O27 -","- C88 Mo16 N8 O54 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.053","0.0415","","","0.1042","0.1109","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218580","16.381","0.003","14.17","0.003","19.415","0.004","90","","104.25","0.03","90","","4367.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N8 O9 Zn -","- C30.4 H29.2 N5.8 O6.8 Zn -","- C121.6 H116.8 N23.2 O27.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1336","0.0905","","","0.245","0.2956","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218581","14.529","0.002","16.543","0.002","21.125","0.003","90","","104.305","0.009","90","","4920","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 N9 O10 Zn -","- C26.9 H18 N5.3 O6.3 Zn -","- C107.6 H72 N21.2 O25.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1688","0.1026","","","0.2844","0.3282","","","","","","1.098","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218582","15.1431","0.0006","15.2322","0.0006","16.0597","0.0004","98.484","0.002","102.682","0.002","104.206","0.003","3423.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H67 N9 O15 Zn2 -","- C44.4 H25 N4.8 O10.8 Zn2 -","- C88.8 H50 N9.6 O21.6 Zn4 -","2","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.0759","0.0662","","","0.2062","0.2157","","","","","","1.062","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218583","19.722","0.0005","28.0588","0.0006","28.0835","0.0004","90","","94.423","0.002","90","","15494.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N12 O18 Zn2 -","- C42.25 H26 N4.75 O10.75 Zn2 -","- C338 H208 N38 O86 Zn16 -","8","2","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1393","0.0812","","","0.248","0.2952","","","","","","1.054","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218604","14.462","0.002","15.486","0.003","7.4899","0.0012","90","","96.971","0.003","90","","1665","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H11 Co N3 O8 -","- C14 H9 Co N3 O8 -","- C56 H36 Co4 N12 O32 -","4","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0897","0.0642","","","0.1755","0.194","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218605","5.8488","0.0013","16.227","0.004","13.164","0.003","90","","91.507","0.003","90","","1248.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C48 H32 Cu4 N8 O28 -","4","1","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0656","0.0408","","","0.1228","0.1756","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218606","9.3276","0.001","11.9664","0.0013","19.099","0.002","90","","92.947","0.002","90","","2129","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cu2 N8 O12 -","- C48 H28 Cu2 N8 O12 -","- C96 H56 Cu4 N16 O24 -","2","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0659","0.041","","","0.0877","0.0978","","","","","","1.002","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218607","9.213","0.002","12.19","0.003","12.635","0.003","109.362","0.004","109.077","0.004","91.212","0.004","1251.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0538","0.045","","","0.133","0.1567","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218608","9.357","0.004","11.325","0.005","12.54","0.005","64.338","0.006","69.757","0.006","75.003","0.006","1114.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0741","0.0559","","","0.1643","0.2373","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218609","18.562","0.0011","3.732","0.0002","18.568","0.0012","90","","93.993","0.006","90","","1283.15","0.13","101.15","0.1","101.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.072612","0.051566","","","","0.134828","","","","","","1.07268","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218610","6.2436","0.0009","8.4577","0.0012","12.3655","0.0017","90","","100.198","0.015","90","","642.66","0.16","102.45","0.1","102.45","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.069918","0.056788","","","","0.168259","","","","","","1.05859","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218646","11.082","0.002","9.182","0.001","16.959","0.002","90","","92.36","0.01","90","","1724.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H20.4 La O13.2 -","- C9 H15 La O13.2 -","- C36 H60 La4 O52.8 -","4","1","","Michaelides, Adonis; Aravia, Maria; Siskos, Michael G.; Skoulika, Stavroula","Photochemical reactivity of a lamellar lanthanum MOF","CrystEngComm","2015","17","1","124","","10.1039/C4CE01396D","","","0.71073","MoKα","","0.054","0.0407","","","0.0996","0.1077","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218674","17.001","0.0019","19.633","0.002","23.109","0.004","90","","90","","90","","7713.3","1.8","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H15 Mn N3 O5 -","- C12 H6 Mn N2 O4 -","- C192 H96 Mn16 N32 O64 -","16","0.5","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.1079","0.075","","","0.2098","0.2325","","","","","","1.105","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218676","11.9082","0.001","8.3277","0.0007","12.7165","0.0011","90","","97.361","0.002","90","","1250.68","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N2 O6 -","- C12 H8 Co N2 O6 -","- C48 H32 Co4 N8 O24 -","4","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.0278","0.0264","","","0.0714","0.0724","","","","","","1.095","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218677","3.937","0.003","14.488","0.009","5.638","0.004","90","","90","","90","","321.6","0.4","473","2","473","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F16 Mg4 Sr4 -","4","0.5","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0522","0.052","","","0.128","0.1283","","","","","","1.104","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218678","7.4736","0.0005","16.8835","0.0012","7.801","0.0005","90","","105.03","0.002","90","","950.66","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0321","0.0235","","","0.056","0.0604","","","","","","0.87","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218703","11.629","0.004","17.902","0.005","12.38","0.004","90","","109.051","0.006","90","","2436.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0458","0.039","","","0.1292","0.1428","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218705","10.056","0.002","10.955","0.002","11.676","0.002","113","0.03","97.99","0.03","92.39","0.03","1166","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cd Cl N3 O4 -","- C25 H20 Cd Cl N3 O4 -","- C50 H40 Cd2 Cl2 N6 O8 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0282","0.0236","","","0.051","0.0531","","","","","","1.055","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218706","20.66","0.004","20.899","0.004","18.58","0.004","90","","102.46","0.03","90","","7833","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H138 Cd4 N20 O33 -","- C164 H138 Cd4 N20 O33 -","- C328 H276 Cd8 N40 O66 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0616","0.0354","","","0.0775","0.092","","","","","","1.016","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218707","9.809","0.002","15.607","0.003","16.604","0.003","81.76","0.03","88.16","0.03","72.57","0.03","2400","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 Cd N6 O9 -","- C51 H40 Cd N6 O9 -","- C102 H80 Cd2 N12 O18 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.037","0.0339","","","0.1049","0.108","","","","","","1.08","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218708","9.976","0.002","10.462","0.002","10.933","0.002","81.98","0.03","67.17","0.03","84.87","0.03","1040.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N3 O5 -","- C23 H16 Cd N3 O5 -","- C46 H32 Cd2 N6 O10 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0187","0.0177","","","0.0479","0.0488","","","","","","1.067","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218709","9.82","0.002","11.519","0.002","16.954","0.003","101.25","0.03","97.92","0.03","96.46","0.03","1843.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N5 O7 -","- C41 H32 Cd N5 O7 -","- C82 H64 Cd2 N10 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0548","0.0421","","","0.1017","0.1155","","","","","","1.065","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218710","12.458","0.003","13.915","0.003","14.341","0.003","74.555","0.003","85.531","0.003","89.871","0.002","2388.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 H40 Mo10 O56 Sm2 -","- Co2 Mo10 O56 Sm2 -","- Co4 Mo20 O112 Sm4 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0478","0.0384","","","0.0981","0.1039","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218711","12.36","0.004","13.803","0.004","14.183","0.004","74.436","0.005","85.442","0.005","89.734","0.005","2323.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 Eu2 H40 Mo10 O56 -","- Co2 Eu2 Mo10 O56 -","- Co4 Eu4 Mo20 O112 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.1363","0.0977","","","0.2268","0.2496","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218714","13.78516","0.00008","14.11066","0.00008","15.45815","0.00009","90","","101.358","0.0005","90","","2948","0.03","120","2","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1","","- C34 H28 N6 O3 Zn -","- C34 H28 N6 O3 Zn -","- C136 H112 N24 O12 Zn4 -","4","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0391","0.039","","","0.1064","0.1064","","","","","","1.091","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218717","5.2497","0.0003","49.977","0.002","7.6897","0.0005","90","","104.573","0.006","90","","1952.6","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melatoninpimelic acid cocrystal","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Thermodynamics and preliminary pharmaceutical characterization of a melatonin‒pimelic acid cocrystal prepared by a melt crystallization method","CrystEngComm","2015","17","3","612","","10.1039/C4CE01921K","","","1.54184","CuKα","","0.0623","0.0498","","","0.116","0.1225","","","","","","1.123","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218742","6.2212","0.0003","6.4416","0.0003","12.32","0.0006","96.924","0.004","103.818","0.004","97.07","0.004","469.99","0.04","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C14 H4 S12 -","1","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0937","0.0418","","","0.0797","0.0942","","","","","","0.928","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218744","11.955","0.002","5.8261","0.001","29.396","0.005","90","","90.861","0.002","90","","2047.2","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BEDT-TTP","","","- C14 H8 S12 -","- C14 H8 S12 -","- C56 H32 S48 -","4","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0663","0.0536","","","0.1305","0.1361","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218745","6.4227","0.0004","9.4246","0.0005","16.9326","0.0009","83.89","0.003","81.735","0.003","70.108","0.003","951.97","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","EMDT-TTP","","","- C13 H6 S12 -","- C13 H6 S12 -","- C26 H12 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71069","MoKα","","0.0797","0.0572","","","0.1241","0.1336","","","","","","0.906","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218746","6.4572","0.0001","19.2326","0.0002","24.0962","0.0002","90","","97.446","0.001","90","","2967.24","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S12 -","- C14 H6 S12 -","- C84 H36 S72 -","6","1.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0717","0.0377","","","0.0836","0.0908","","","","","","0.909","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218747","10.1442","0.0016","11.7709","0.0018","15.044","0.002","109.125","0.008","97.344","0.007","109.259","0.008","1545.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 B F4 Ir N4 O2 -","- C24 H40 B F4 Ir N4 O2 -","- C48 H80 B2 F8 Ir2 N8 O4 -","2","1","","Manas, Michael G.; Campos, Jesús; Sharninghausen, Liam S.; Lin, Elisa; Crabtree, Robert H.","Selective catalytic oxidation of sugar alcohols to lactic acid","Green Chem.","2015","17","1","594","","10.1039/C4GC01694G","","","0.71073","MoKα","","0.0775","0.0502","","","0.1043","0.1168","","","","","","1.033","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218748","8.8404","0.0002","8.9886","0.0003","13.346","0.0004","90","","94.802","0.002","90","","1056.79","0.05","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","0.5","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.0659","0.0505","","0.0643","0.0579","0.0574","","","","","","1.0718","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218749","18.1306","0.0008","11.2298","0.0003","17.6135","0.0008","90","","113.427","0.0018","90","","3290.6","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C160 H168 N8 O24 -","4","0.5","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.1027","0.0664","","0.1024","0.0947","0.0934","","","","","","0.9132","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218750","8.6143","0.0005","9.1073","0.0007","11.3382","0.0009","90","","101.959","0.004","90","","870.21","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.068","0.0577","","0.4001","0.0582","0.0582","","","","","","0.8373","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218757","8.241","0.002","9.61","0.003","9.79","0.003","87.334","0.009","71.536","0.008","84.334","0.009","731.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C34 H32 N4 S2 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0484","0.0387","","","0.0847","0.0884","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218758","9.1048","0.0019","7.4536","0.0015","23.795","0.005","90","","95.952","0.004","90","","1606.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.059","0.0495","","","0.115","0.1218","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218760","8.7434","0.0013","13.538","0.002","17.321","0.003","88.079","0.005","84.857","0.005","77.108","0.005","1990.3","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","2","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0844","0.0599","","","0.1246","0.1395","","","","","","0.999","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218761","5.9789","0.0015","7.3765","0.0018","43.952","0.011","90","","91.422","0.004","90","","1937.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0993","0.0892","","","0.2023","0.2094","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218771","10.11","0.002","10.525","0.002","12.221","0.002","77.69","0.03","81.26","0.03","82.69","0.03","1249.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid (bis) caffeine co-crystal","","- C24 H28 N8 O8 -","- C24 H28 N8 O8 -","- C48 H56 N16 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0782","0.0542","","","0.1448","0.1605","","","","","","1.033","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218772","11.2741","0.0006","15.7712","0.001","13.3746","0.0008","90","","90.572","0.002","90","","2378","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(bis) vanillic acid theophylline co-crystal","","- C23 H23 N4 O10 -","- C23 H23 N4 O10 -","- C92 H92 N16 O40 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0653","0.047","","","0.1195","0.1299","","","","","","1.047","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218773","8.2148","0.0016","8.2504","0.0017","13.132","0.003","102.82","0.03","97.46","0.03","93.98","0.03","856","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid theobromine co-crystal dihydrate","","- C15 H20 N4 O8 -","- C15 H20 N4 O8 -","- C30 H40 N8 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0609","0.0415","","","0.1045","0.1156","","","","","","1.027","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218774","8.469","0.0017","22.621","0.005","8.9534","0.0018","90","","90.68","0.03","90","","1715.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanillic acid acridine co-crystal","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.1092","0.0511","","","0.1057","0.1276","","","","","","0.965","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218775","4.8723","0.001","8.0058","0.0016","18.018","0.004","78.85","0.03","84.5","0.03","75.62","0.03","667.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid nicotinamide co-crystal","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0678","0.0442","","","0.1042","0.1164","","","","","","1.005","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218776","7.9","0.0016","13.196","0.003","13.735","0.003","85.02","0.03","85.32","0.03","78.68","0.03","1395.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis)vanillic acid (bis)isonicotinamide dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0967","0.0511","","","0.1183","0.1414","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218777","6.9821","0.0014","10.232","0.002","15.388","0.003","99.68","0.03","95.37","0.03","103.46","0.03","1043.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis) vanillic acid (bis) urea","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0845","0.0474","","","0.1024","0.1191","","","","","","0.969","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218791","20.6425","0.0014","8.8968","0.0006","11.2958","0.001","90","","104.4","0.004","90","","2009.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C84 H72 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.09093","","1.22","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218792","22.203","0.0018","8.9419","0.0007","11.2575","0.001","90","","103.79","0.006","90","","2170.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4-(4-p-tolyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.0523","","1.4","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218793","21.5451","0.0013","10.1672","0.0007","10.6966","0.001","90","","103.713","0.005","90","","2276.3","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide","","- C23 H21 Cl N4 O4 S -","- C23 H21 Cl N4 O4 S -","- C92 H84 Cl4 N16 O16 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.13976","","1.49","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218794","9.3395","0.0003","12.6055","0.0004","16.7998","0.0006","87.865","0.002","76.551","0.002","73.18","0.002","1840.33","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Ag2 F10 N4 O7 S2 -","- C28 H24 Ag2 F10 N4 O7 S2 -","- C56 H48 Ag4 F20 N8 O14 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.085","0.0579","","","0.1534","0.1765","","","","","","1.026","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218796","11.2445","0.0004","13.1403","0.0004","13.7311","0.0005","77.007","0.002","77.419","0.002","68.795","0.002","1822.13","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Ag2 F6 N4 O6 S2 -","- C29 H28 Ag2 F6 N4 O6 S2 -","- C58 H56 Ag4 F12 N8 O12 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1116","0.0646","","","0.1774","0.2056","","","","","","1.048","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218797","22.109","0.016","18.66","0.014","18.8","0.02","90","","115.532","0.018","90","","6999","10","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 N4 O9 S2 -","- C30 H40 Ag2 N4 O9 S2 -","- C240 H320 Ag16 N32 O72 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2169","0.0866","","","0.1918","0.2564","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7218798","8.0768","0.0004","9.1756","0.0005","11.7609","0.0006","96.798","0.004","93.784","0.003","111.74","0.003","798.19","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Ag N2 O4 S -","- C15 H16 Ag N2 O4 S -","- C30 H32 Ag2 N4 O8 S2 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0603","0.0496","","","0.13","0.1375","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218799","26.2359","0.0013","9.2864","0.0005","17.9373","0.0009","90","","130.057","0.003","90","","3345","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag N2 O3 S -","- C18 H16 Ag N2 O3 S -","- C144 H128 Ag8 N16 O24 S8 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0569","0.0366","","","0.0837","0.0927","","","","","","1.057","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218800","10.775","0.003","8.596","0.002","16.451","0.005","90","","123.909","0.011","90","","1264.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag N3 O3 S -","- C11 H10 Ag N3 O3 S -","- C44 H40 Ag4 N12 O12 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1294","0.0588","","","0.1431","0.172","","","","","","0.969","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218801","13.647","0.0019","6.7053","0.0012","14.644","0.003","90","","91.048","0.009","90","","1339.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag B F4 N2 S -","- C11 H10 Ag B F4 N2 S -","- C44 H40 Ag4 B4 F16 N8 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0687","0.0495","","","0.1575","0.1699","","","","","","1.118","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218803","10.267","0.004","12.136","0.006","22.648","0.01","102.16","0.03","95.99","0.03","102.8","0.03","2656","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Ag3 N6 O9.25 S3 -","- C39 H35 Ag3 N6 O9.25 S3 -","- C78 H70 Ag6 N12 O18.5 S6 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2515","0.1096","","","0.2943","0.3996","","","","","","1.023","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218804","12.7515","0.0007","13.5858","0.0007","21.4957","0.0014","107.207","0.005","99.278","0.005","103.727","0.005","3346.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H55 N0 O37 -","- C59 H55 O36.926 -","- C118 H110 O73.852 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.096","0.084","","","0.2469","0.2611","","","","","","1.039","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218805","17.0487","0.0009","21.1862","0.0008","24.7335","0.001","76.225","0.003","80.707","0.004","85.563","0.004","8555.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H152 N6 O84 -","- C155 H155 N6 O83.906 -","- C310 H310 N12 O167.812 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.2314","0.1455","","","0.3515","0.4271","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218806","5.2426","0.0008","11.965","0.002","12.256","0.002","75.126","0.011","87.661","0.01","83.717","0.011","738.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ADI","","","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0741","0.0398","","","0.0874","0.1007","","","","","","1.006","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218807","5.0909","0.0004","5.4368","0.0005","20.3002","0.0017","88.781","0.005","83.38","0.005","86.981","0.006","557.29","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0486","0.0368","","","0.0954","0.1017","","","","","","1.054","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218808","5.063","0.0011","10.312","0.003","12.716","0.003","92.328","0.016","101.006","0.015","92.647","0.017","650.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C22 H22 N6 O14 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.1122","0.0816","","","0.2465","0.2609","","","","","","1.183","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218809","5.4495","0.0002","11.784","0.0003","12.025","0.0004","117.195","0.002","93.573","0.002","96.119","0.002","677.53","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C22 H26 N6 O16 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0516","0.0342","","","0.0774","0.0847","","","","","","1.031","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218810","11.189","0.002","6.536","0.0013","21.527","0.004","90","","102.41","0.03","90","","1537.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-methyl-benzenesulfonamide","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0683","0.0468","","","0.1523","0.1609","","","","","","1.03","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218812","11.051","0.0004","6.4458","0.0003","21.466","0.0008","90","","102.427","0.003","90","","1493.25","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-chloro-benzenesulfonamide","","- C16 H20 Cl N O2 S -","- C16 H20 Cl N O2 S -","- C64 H80 Cl4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0439","0.0361","","","0.0874","0.0924","","","","","","1.067","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218813","10.8028","0.0003","11.6083","0.0003","14.0725","0.0004","90","","95.824","0.003","90","","1755.61","0.08","100.01","0.18","100.01","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-methyl-benzenesulfonamide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0424","0.0355","","","0.094","0.0989","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218814","10.5261","0.0003","11.5499","0.0003","14.1017","0.0004","90","","97.386","0.002","90","","1700.19","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-fluoro-benzenesulfonamide","","- C18 H24 F N O2 S -","- C18 H24 F N O2 S -","- C72 H96 F4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0445","0.0356","","","0.0872","0.0925","","","","","","1.045","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218815","9.33501","0.00018","11.577","0.0002","15.7703","0.0003","90","","100.587","0.0018","90","","1675.31","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0481","0.0381","","","0.097","0.1038","","","","","","1.046","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218817","8.971","0.005","16.81","0.009","10.435","0.006","90","","108.218","0.005","90","","1494.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Mn N4 S3 Sn -","- C6 H20 Mn N4 S3 Sn -","- C24 H80 Mn4 N16 S12 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0333","0.0295","","","0.0642","0.0659","","","","","","1.059","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218854","9.496","0.0011","11.5347","0.0013","11.8048","0.0013","67.494","0.002","81.395","0.002","69.474","0.002","1118.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.62 H18.47 N2 O6.62 S2 Zn -","- C18.616 H18.464 N2 O6.616 S2 Zn -","- C37.232 H36.928 N4 O13.232 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0873","0.0713","","","0.1923","0.2036","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218855","9.6705","0.0005","11.6246","0.0006","11.7082","0.0006","66.363","0.001","82.283","0.001","68.217","0.001","1119.5","0.1","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O4 S2 Zn -","- C18 H12 N2 O4 S2 Zn -","- C36 H24 N4 O8 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0444","0.0383","","","0.107","0.1135","","","","","","1.083","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218856","9.5666","0.0004","11.54","0.0005","11.8627","0.0005","67.61","0.001","80.961","0.001","68.932","0.001","1129.64","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14.2 N2 O5.1 S2 Zn -","- C18 H14.2 N2 O5.1 S2 Zn -","- C36 H28.4 N4 O10.2 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0491","0.0463","","","0.1579","0.1604","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218862","8.5178","0.0003","14.4262","0.0006","14.9256","0.0005","90","","100.234","0.003","90","","1804.87","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N7 O3 -","- C17 H11 Cd N7 O3 -","- C68 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0504","0.034","","","0.0716","0.0759","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218863","7.6683","0.0015","8.8264","0.0018","14.996","0.003","78.42","0.03","79.89","0.03","81.62","0.03","972.4","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cd N9 O -","- C19 H13 Cd N9 O -","- C38 H26 Cd2 N18 O2 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0338","0.0278","","","0.0651","0.0683","","","","","","0.883","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218864","8.15961","0","11.21043","0","17.04066","0.00001","90","","94.4222","0.0003","90","","1554.12","0.0011","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cd N7 O3 -","- C15 H11 Cd N7 O3 -","- C60 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.033","0.0262","","","0.0547","0.0568","","","","","","1.043","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218865","9.328","0.0005","13.9183","0.0005","13.8508","0.0006","90","","109.222","0.005","90","","1698","0.14","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cd N7 O4 -","- C15 H13 Cd N7 O4 -","- C60 H52 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0339","0.0247","","","0.0592","0.0619","","","","","","1.053","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218866","7.7803","0.0004","10.2661","0.0004","10.722","0.0005","81.92","0.004","79.82","0.004","75.63","0.004","812.34","0.07","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","1","0.5","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0384","0.0318","","","0.0632","0.0663","","","","","","1.017","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218867","9.2897","0.0004","8.9304","0.0003","31.2856","0.0011","90","","97.826","0.003","90","","2571.3","0.17","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N10 O3 -","- C26 H16 Cd N10 O3 -","- C104 H64 Cd4 N40 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0746","0.0468","","","0.0948","0.098","","","","","","1.211","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218868","14.204","0.005","9.8521","0.0004","18.7354","0.0006","90","","94.64","0.03","90","","2613.2","0.9","293.5","","293.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cd N10 O4 -","- C26 H18 Cd N10 O4 -","- C104 H72 Cd4 N40 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0489","0.0334","","","0.0784","0.084","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218869","9.4767","0.0003","12.5129","0.0004","14.3126","0.0005","90","","106.191","0.004","90","","1629.89","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd N7 O4 -","- C13 H12 Cd N7 O4 -","- C52 H48 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0707","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218870","7.9227","0.0007","8.9657","0.0009","10.146","0.001","74.85","0.008","74.24","0.008","83.61","0.03","668.87","0.12","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cd N9 -","- C12 H8 Cd N9 -","- C24 H16 Cd2 N18 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0304","0.0282","","","0.064","0.0652","","","","","","1.078","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218871","8.479","0.0003","12.9948","0.0008","16.2781","0.0011","68.455","0.006","84.347","0.004","73.048","0.004","1595.69","0.17","173","0.4","173","0.4","","","","","","","","3","P -1","-P 1","2","","(E)-2'-(2-(4'-(diphenylamino)-[1,1'-biphenyl]-2-yl)-2-phenylvinyl)-[1,1'-biphenyl]-4-carbonitrile","","- C45 H32 N2 -","- C45 H32 N2 -","- C90 H64 N4 -","2","1","","Li, Jie; Jiang, Yibin; Cheng, Juan; Zhang, Yilin; Su, Huimin; Lam, Jacky W. Y.; Sung, Herman H. Y.; Wong, Kam Sing; Kwok, Hoi Sing; Tang, Ben Zhong","Tuning the singlet-triplet energy gap of AIE luminogens: crystallization-induced room temperature phosphorescence and delay fluorescence, tunable temperature response, highly efficient non-doped organic light-emitting diodes.","Physical chemistry chemical physics : PCCP","2015","17","2","1134","1141","10.1039/c4cp04052j","","x-ray","1.5418","CuKα","","0.0469","0.0411","","","0.1068","0.1117","","","","","","1.005","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218883","11.51","0.009","12.16","0.01","13.074","0.01","109.155","0.013","111.714","0.012","96.969","0.014","1543","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.125","0.066","","","0.157","0.1943","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218884","12.328","0.0008","12.696","0.0008","13.859","0.0009","106.698","0.001","108.07","0.001","108.991","0.001","1758.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0612","0.0481","","","0.1242","0.1305","","","","","","1.049","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218885","12.31","0.0018","12.668","0.0018","13.816","0.002","106.758","0.002","108.015","0.002","108.944","0.002","1747.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.081","0.0648","","","0.1688","0.1778","","","","","","1.05","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218886","10.364","0.0005","19.986","0.001","12.851","0.0007","90","","100.055","0.001","90","","2621","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu K Mo4 N4 O17 -","- C16 H17 Cu K Mo4 N4 O17 -","- C64 H68 Cu4 K4 Mo16 N16 O68 -","4","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0852","0.0677","","","0.2045","0.2146","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218887","11.416","0.002","10.013","0.002","14.914","0.003","90","","91.44","0.03","90","","1704.3","0.6","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alfa-Magnesium formate","","- C10 H13 Mg3 O13 -","- C10 H13 Mg3 O13 -","- C40 H52 Mg12 O52 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","0.71073","MoKα","","0.1671","0.0952","","","0.1949","0.2249","","","","","","1.134","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218888","11.363","0.0005","9.895","0.0005","14.6054","0.0008","90","","91.441","0.004","90","","1641.67","0.14","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","1.54184","CuKα","","0.0553","0.0443","","","0.0993","0.1043","","","","","","1.002","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218889","13.066","0.003","20.404","0.004","9.5822","0.0019","90","","94.37","0.03","90","","2547.2","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0785","0.0704","","","0.2203","0.235","","","","","","1.1","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218891","10.362","0.002","10.649","0.002","11.096","0.002","92.16","0.03","100.28","0.03","92.65","0.03","1202.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C56 H44 Cd2 N8 O8 -","2","1","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0552","0.0473","","","0.1947","0.2257","","","","","","1.139","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218893","14.06551","0.00016","29.396","0.0003","18.4286","0.0003","90","","107.058","0.0014","90","","7284.46","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Dy2 N3 O25 -","- C78 H69 Dy2 N3 O25 -","- C312 H276 Dy8 N12 O100 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0497","0.0383","","","0.0881","0.0931","","","","","","1.09","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218903","7.3765","0.0002","7.5213","0.0003","12.1712","0.0003","97.744","0.002","92.657","0.002","110.303","0.001","624.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N6 O -","- C10 H10 Cl2 N6 O -","- C20 H20 Cl4 N12 O2 -","2","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.048","0.0364","","","0.0885","0.0958","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218904","7.4637","0.0014","11.481","0.002","13.395","0.003","95.849","0.003","98.205","0.004","93.393","0.005","1127","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","2","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71069","MoKα","","0.0496","0.0477","","","0.1253","0.1272","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218910","9.862","0.002","13.348","0.003","18.934","0.004","75.217","0.005","81.616","0.005","88.983","0.005","2383.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Co3 N7 O15 -","- C41 H44 Co3 N7 O15 -","- C82 H88 Co6 N14 O30 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1009","0.0572","","","0.1377","0.1592","","","","","","1.031","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218914","10.3943","0.0005","17.4818","0.001","15.6814","0.0008","90","","97.686","0.001","90","","2823.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 N2 O -","- C36 H28 Cl2 N2 O -","- C144 H112 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0756","0.0597","","","0.1314","0.139","","","","","","1.092","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218915","10.4238","0.0006","17.4861","0.001","15.9174","0.0008","90","","98.41","0.002","90","","2870.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl2 N2 O -","- C37 H30 Cl2 N2 O -","- C148 H120 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.1249","0.0926","","","0.1737","0.1856","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218916","10.462","0.0005","17.5011","0.0008","15.8272","0.0008","90","","95.53","0.001","90","","2884.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 N2 O2 -","- C37 H28 Cl2 N2 O2 -","- C148 H112 Cl8 N8 O8 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0561","0.0483","","","0.1292","0.1352","","","","","","1.05","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218917","13.0951","0.0006","14.1332","0.0008","19.6616","0.0009","90","","100.161","0.003","90","","3581.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co N4 O8 -","- C33 H36 Co N4 O8 -","- C132 H144 Co4 N16 O32 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1699","0.1019","","","0.2624","0.2956","","","","","","1.131","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218918","12.9014","0.0003","15.0969","0.0004","12.6756","0.0003","90","","102.381","0.002","90","","2411.42","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0841","0.0483","","","0.1016","0.1128","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218919","21.3167","0.0011","12.3112","0.0007","21.2392","0.001","90","","92.816","0.003","90","","5567.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Co N2 O5 -","- C24 H21 Co N2 O5 -","- C192 H168 Co8 N16 O40 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0903","0.0585","","","0.1315","0.1415","","","","","","1.07","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218920","13.6257","0.0007","25.2675","0.0012","16.8185","0.0008","90","","105.815","0.002","90","","5571.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Co2 N4 O19 -","- C53 H38 Co2 N4 O19 -","- C212 H152 Co8 N16 O76 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0608","0.0472","","","0.1204","0.1289","","","","","","1.022","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218921","30.8856","0.0019","17.8569","0.0011","14.1653","0.0009","90","","114.268","0.003","90","","7122.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Co F6 N4 O8 -","- C35 H34 Co F6 N4 O8 -","- C280 H272 Co8 F48 N32 O64 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1205","0.078","","","0.2016","0.2233","","","","","","1.069","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218922","10.3211","0.0002","30.3501","0.0006","10.8873","0.0002","90","","103.219","0.001","90","","3320.04","0.11","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Co N4 O9 S -","- C32 H32 Co N4 O9 S -","- C128 H128 Co4 N16 O36 S4 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1305","0.0529","","","0.0801","0.0995","","","","","","1.006","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218923","7.9","0.0002","23.1582","0.0007","8.7135","0.0002","90","","107.904","0.001","90","","1516.93","0.07","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(ethoxycarbonyl)-3-[(2-ethoxyphenyl)amino]acrylic acid","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0906","0.0527","","","0.1583","0.1918","","","","","","0.922","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218924","7.0418","0.0013","7.5275","0.0014","11.444","0.002","84.212","0.009","75.935","0.009","82.835","0.009","582.26","0.19","296","2","296","","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-(phenylamino)prop-2-enoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0692","0.0473","","","0.1314","0.1492","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218925","6.8768","0.0002","7.5092","0.0003","12.8653","0.0004","93.415","0.002","104.473","0.002","95.382","0.002","638.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-[(4-methylphenyl)amino]prop-2-enoic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0618","0.0393","","","0.0961","0.1081","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218926","7.0837","0.0002","7.4404","0.0002","12.4791","0.0004","92.127","0.002","105.123","0.002","97.607","0.002","627.59","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2E)-3-[(4-chlorophenyl)amino]-2-(ethoxycarbonyl)prop-2-enoic acid","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C24 H24 Cl2 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0722","0.0493","","","0.1426","0.1639","","","","","","1.051","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218927","11.423","0.0007","8.6148","0.0005","13.9893","0.0009","90","","112.165","0.004","90","","1274.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(ethoxycarbonyl)-3-[(3-nitrophenyl)amino]prop-2-enoic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0538","0.0391","","","0.0937","0.102","","","","","","1.033","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218928","10.77","0.0011","14.5781","0.0014","15.7165","0.0018","66.116","0.001","71.702","0.002","68.82","0.001","2062.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O Pb -","- C20 H16 N12 O Pb -","- C80 H64 N48 O4 Pb4 -","4","2","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.0775","0.0591","","","0.1444","0.1565","","","","","","0.988","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218929","19.2296","0.0018","13.2582","0.0012","13.4958","0.0013","90","","129.226","0.002","90","","2665.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 Ni O6 -","- C20 H26 N12 Ni O6 -","- C80 H104 N48 Ni4 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.1135","0.0615","","","0.1254","0.1459","","","","","","0.898","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218930","18.96","0.04","12.97","0.04","13.27","0.04","90","","129.51","0.05","90","","2518","12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N12 O6 -","- C20 H26 Co N12 O6 -","- C80 H104 Co4 N48 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.154","0.0888","","","0.2251","0.297","","","","","","0.991","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218932","10.4466","0.0013","10.4466","0.0013","8.3093","0.0017","90","","90","","120","","785.3","0.2","93","2","93","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","NSBBF","","","- B3 Be3 F4 Na O9 Sr3 -","- B3 Be3 F4 Na O9 Sr3 -","- B9 Be9 F12 Na3 O27 Sr9 -","3","0.166667","","Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian","Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4","CrystEngComm","2015","17","4","925","","10.1039/C4CE02096K","","","0.71073","MoKα","","0.0305","0.0271","","","0.0632","0.0641","","","","","","0.64","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218933","7.1861","0.0014","7.5759","0.0014","7.6549","0.0014","89.212","0.004","63.414","0.003","64.027","0.003","326.31","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Cl0 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","1","0.5","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.0815","0.0586","","","0.1434","0.1641","","","","","","0.953","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218934","7.404","0.003","9.672","0.003","9.341","0.003","90","","113.02","0.004","90","","615.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H Cu N7 O -","- C3 H Cu N7 O -","- C12 H4 Cu4 N28 O4 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1053","0.0837","","","0.2197","0.2321","","","","","","1.104","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218935","8.63","0.003","9.867","0.003","6.736","0.002","90","","108.297","0.006","90","","544.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 Cu N7 -","- C3 H2 Cu N7 -","- C12 H8 Cu4 N28 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1081","0.0775","","","0.1842","0.1993","","","","","","1.008","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218936","4.401","0.0003","12.3035","0.0009","14.8314","0.0011","90","","97.593","0.001","90","","796.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethane","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","","","0.0474","0.035","","","0.0863","0.0962","","","","","","1.038","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218937","3.8765","0.0004","12.2303","0.0013","16.1995","0.0018","90","","95.906","0.0017","90","","763.95","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethene","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","MoKα","","0.0635","0.0406","","","0.0764","0.0892","","","","","","1.03","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218966","4.822","0.002","22.257","0.01","11.408","0.005","90","","93.364","0.004","90","","1222.2","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0614","0.0527","","","0.1596","0.1799","","","","","","0.872","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218967","7.463","","7.747","","15.435","","94.52","","97.04","","117.68","","774.89","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0997","0.0755","","","0.231","0.2758","","","","","","0.974","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218968","28.784","0.019","6.795","0.004","14.074","0.009","90","","94.543","0.009","90","","2744","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.051","0.0474","","","0.1432","0.1479","","","","","","1.1","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218969","15.0137","0.0018","5.7145","0.0007","17.311","0.002","90","","105.671","0.007","90","","1430","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218970","3.8793","0.0007","15.208","0.003","23.308","0.004","90","","92.189","0.007","90","","1374.1","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br Cl2 O -","- C15 H8 Br Cl2 O -","- C60 H32 Br4 Cl8 O4 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0905","0.0509","","","0.0892","0.103","","","","","","1.029","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218971","7.82","0.005","24.093","0.013","7.286","0.004","90","","117.167","0.006","90","","1221.3","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N3 O2 -","- C14 H8 F N3 O2 -","- C56 H32 F4 N12 O8 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0551","0.0467","","","0.1343","0.1477","","","","","","1.129","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218972","8.781","0.008","9.08","0.01","11.641","0.012","86.17","0.05","69.02","0.04","73.38","0.04","829.8","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0825","0.0608","","","0.1693","0.201","","","","","","1.085","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218973","6.916","0.004","6.922","0.004","11.215","0.008","88.869","0.017","88.15","0.02","72.09","0.02","510.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","1","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0543","0.0513","","","0.1458","0.1501","","","","","","1.088","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218974","14.118","0.012","5.881","0.005","15.04","0.013","90","","113.629","0.01","90","","1144","1.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0998","0.0872","","","0.2784","0.2901","","","","","","1.149","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218975","4.8198","0.0001","21.7824","0.0003","9.3616","0.0002","90","","104.264","0.002","90","","952.54","0.03","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","2-amino-5-nitropyridine:chloroacetic acid","2-amino-5-nitropyridine:chloroacetic acid","","- C7 H8 Cl N3 O4 -","- C7 H8 Cl N3 O4 -","- C28 H32 Cl4 N12 O16 -","4","1","","Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N.","Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.","Physical chemistry chemical physics : PCCP","2015","17","4","2330","2334","10.1039/c4cp04690k","","","0.71073","MoKα","","0.035","0.025","","","","0.045","","","","","","0.928","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218993","7.4354","0.0015","15.648","0.003","21.424","0.004","90","","90","","90","","2492.7","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Cl N3 S -","- C14 H8 Cl N3 S -","- C112 H64 Cl8 N24 S8 -","8","1","","Wen, Li-Rong; Li, Shou-Lei; Zhang, Jian; Li, Ming","Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water","Green Chem.","2015","17","3","1581","","10.1039/C4GC02156H","","","0.71073","MoKα","","0.0446","0.0439","","","0.0959","0.0962","","","","","","1.22","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218994","6.66207","0.00009","17.0552","0.0002","15.01109","0.00019","90","","102.416","0.0013","90","","1665.71","0.04","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H26 Cl2 N4 Ni O3 -","- C11 H26 Cl2 N4 Ni O3 -","- C44 H104 Cl8 N16 Ni4 O12 -","4","1","","Neri, Gaia; Walsh, James J.; Wilson, Calum; Reynal, Anna; Lim, Jason Y. C.; Li, Xiaoe; White, Andrew J. P.; Long, Nicholas J.; Durrant, James R.; Cowan, Alexander J.","A functionalised nickel cyclam catalyst for CO2 reduction: electrocatalysis, semiconductor surface immobilisation and light-driven electron transfer.","Physical chemistry chemical physics : PCCP","2015","17","3","1562","1566","10.1039/c4cp04871g","","","1.54184","CuKα","","0.0404","0.0365","","","0.1001","0.1031","","","","","","1.062","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219006","11.0519","0.0008","13.5682","0.0009","19.4863","0.0016","107.546","0.002","96.181","0.001","109.124","0.002","2562.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N5 O2 -","- C30 H31 N5 O2 -","- C120 H124 N20 O8 -","4","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1291","0.0528","","","0.1003","0.1313","","","","","","1.022","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219007","18.6242","0.0019","10.3311","0.0007","29.295","0.003","90","","106.496","0.002","90","","5404.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N5 O2 -","- C31 H33 N5 O2 -","- C248 H264 N40 O16 -","8","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1669","0.0641","","","0.1687","0.2661","","","","","","1.064","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219008","11.225","0.002","31.408","0.006","13.382","0.003","90","","104.79","0.03","90","","4561.6","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Br2 Mo12 N6 O52 S -","- C60 H72 Br2 Mo12 N6 O52 S -","- C120 H144 Br4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0379","0.0304","","","0.0685","0.072","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219009","11.273","0.002","31.417","0.006","13.312","0.003","90","","105.12","0.03","90","","4551.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl2 Mo12 N6 O52 S -","- C60 H72 Cl2 Mo12 N6 O52 S -","- C120 H144 Cl4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0645","0.0814","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219010","11.31","0.002","31.231","0.006","13.308","0.003","90","","105.06","0.03","90","","4539.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F2 Mo12 N6 O52 S -","- C60 H72 F2 Mo12 N6 O52 S -","- C120 H144 F4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0415","0.0382","","","0.0981","0.101","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219011","11.113","0.002","31.24","0.006","13.533","0.003","90","","103.97","0.03","90","","4559.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 I2 Mo12 N6 O52 S -","- C60 H74 I2 Mo12 N6 O52 S -","- C120 H148 I4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0368","0.0305","","","0.0741","0.085","","","","","","1.088","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219020","12.1523","0.0017","12.5597","0.0019","14.3332","0.0014","104.789","0.011","102.134","0.01","107.641","0.013","1915","0.5","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O10 -","- C42 H56 O10 -","- C84 H112 O20 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0937","0.0631","","","0.1449","0.1768","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219021","12.6722","0.0004","15.1699","0.0005","22.9465","0.0011","90","","90","","90","","4411.1","0.3","173","2","173.15","","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C85 H122 Cl N O22 -","- C85 H122 Cl N O22 -","- C170 H244 Cl2 N2 O44 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0806","0.0626","","","0.1836","0.205","","","","","","1.048","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219022","12.6356","0.0002","15.106","0.0002","23.0509","0.0003","90","","90","","90","","4399.8","0.11","123.01","0.1","123.01","0.1","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C90 H140 Cl N O26 -","- C90 H140 Cl N O26 -","- C180 H280 Cl2 N2 O52 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","1.54184","CuKα","","0.0724","0.0677","","","0.1868","0.1921","","","","","","1.037","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219023","11.48122","0.00017","11.7421","0.0002","17.0131","0.0003","102.669","0.0014","92.3148","0.0013","102.562","0.0014","2174.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","1","0.5","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0916","0.0871","","","0.2544","0.2596","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219025","11.509","0.0003","11.5275","0.0002","18.1749","0.0004","94.3636","0.0017","101.915","0.0018","97.347","0.0018","2326.86","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Cl2 N2 O13 -","- C45 H68.6 Cl2 N2 O13 -","- C90 H137.2 Cl4 N4 O26 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.159","0.1638","","","","","","1.017","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219026","16.209","0.003","15.443","0.003","16.537","0.003","90","","90","","90","","4139.5","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 F3 K O9 S -","- C13 H26 F3 K O9 S -","- C104 H208 F24 K8 O72 S8 -","8","1","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0534","","","","0.1354","","","","","","1.149","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219027","8.6188","0.0006","16.5613","0.001","14.2025","0.0011","90","","95.439","0.004","90","","2018.1","0.2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 K O9 S -","- C13 H24 F3 K O9 S -","- C52 H96 F12 K4 O36 S4 -","4","1","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0798","","","","0.2249","","","","","","1.073","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219028","7.84","0.003","10.813","0.005","11.426","0.005","90","","90","","90","","968.6","0.7","173","","173","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C12 H24 F6 K O6 P -","- C12 H24 F6 K O6 P -","- C24 H48 F12 K2 O12 P2 -","2","0.5","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.054","","","","0.1643","","","","","","1.06","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219029","8.182","0.003","14.222","0.004","7.709","0.003","90","","98.717","0.005","90","","886.7","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 K N O6 S -","- C13 H24 K N O6 S -","- C26 H48 K2 N2 O12 S2 -","2","0.5","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0473","","","","0.1252","","","","","","1.125","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219037","14.097","0.0019","14.2015","0.0019","14.2649","0.0019","115.663","0.001","113.627","0.001","97.603","0.002","2190.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","PCN-514-DMA complex","","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0269","0.0239","","","0.0602","0.062","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219038","26.567","0.005","14.332","0.003","25.354","0.007","90","","119.2","0.002","90","","8427","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PCN-518","","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","1","0.125","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0304","0.0271","","","0.0754","0.0767","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219041","14.5192","0.0008","4.971","0.0002","16.4551","0.0007","90","","106.074","0.005","90","","1141.21","0.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","1","","Marković, Violeta; Joksović, Milan D.","“On water” synthesis of N-unsubstituted pyrazoles: semicarbazide hydrochloride as an alternative to hydrazine for preparation of pyrazole-3-carboxylate derivatives and 3,5-disubstituted pyrazoles","Green Chem.","2015","17","2","842","","10.1039/C4GC02028F","","x-ray","0.71073","MoKα","","0.0685","0.0483","","","0.1277","0.1422","","","","","","1.04","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219043","9.802","0.0015","11.0335","0.0017","12.7221","0.0015","87.172","0.007","84.52","0.007","85.678","0.007","1364.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.128","0.0559","","","0.1008","0.1338","","","","","","0.986","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219044","10.9614","0.0006","20.1743","0.0011","8.7356","0.0005","90","","101.49","0.003","90","","1893.06","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","E,E-N3,N3'-Bis(2-pyridylmethylene)-(2,2'-bipyridine)-3,3'-diamine","","- C22 H16 N6 -","- C22 H16 N6 -","- C88 H64 N24 -","4","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0869","0.0529","","","0.0994","0.111","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219045","8.2407","0.0009","10.3017","0.0011","15.4495","0.0016","103.709","0.012","98.082","0.012","101.143","0.013","1226","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)","","- C23 H14 Cu F9 N5 O4 -","- C23 H14 Cu F9 N5 O4 -","- C46 H28 Cu2 F18 N10 O8 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0661","0.0422","","","0.1056","0.1305","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219046","4.9022","0.0006","13.8842","0.0015","15.385","0.002","90","","99.095","0.016","90","","1034","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N3,N3-Bis(Methoxy(pyridin-2-yl)methyl)-2,2-bipyridine-3,3-diamine","","- C24 H24 N6 O2 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","0.5","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0774","0.0352","","","0.0728","0.0833","","","","","","0.826","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219047","9.5227","0.0008","12.9131","0.0011","13.7732","0.0011","80.759","0.01","80.757","0.01","84.987","0.01","1646.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[5-(2'-Pyridinoyl)-6-(pyrid-2-yl)-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] complex with Zn(hfac)2","","- C32 H16 F12 N6 O5 Zn -","- C32 H16 F12 N6 O5 Zn -","- C64 H32 F24 N12 O10 Zn2 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0831","0.0465","","","0.1089","0.1291","","","","","","0.902","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219056","9.85327","0.00019","11.5888","0.0003","34.7326","0.0007","90","","95.691","0.002","90","","3946.48","0.15","120","2","120","2","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","N1,N1'-(buta-1,3-diyne-1,4-diylbis(4,1-phenylene))bis (N1-(4-(dimethylamino)phenyl)-N4,N4-dimethylbenzene-1,4-diamine)","","- C48 H48 N6 -","- C48 H48 N6 -","- C192 H192 N24 -","4","1","","Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells.","Physical chemistry chemical physics : PCCP","2015","17","4","2335","2338","10.1039/c4cp04685d","","x-ray","1.54184","CuKα","","0.0976","0.0621","","","0.1514","0.1717","","","","","","1.038","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219064","22.744","0.006","12.83","0.004","8.896","0.003","90","","93.181","0.005","90","","2591.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cu N2 O4 -","- C11 H15 Cu N2 O4 -","- C88 H120 Cu8 N16 O32 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0662","0.0411","","","0.0913","0.1039","","","","","","1.052","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219067","19.048","0.008","11.728","0.005","12.28","0.006","90","","104.772","0.008","90","","2653","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O10 -","- C26 H24 Cu2 N4 O10 -","- C104 H96 Cu8 N16 O40 -","4","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1204","0.0555","","","0.1086","0.1422","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219069","11.141","0.002","11.587","0.002","12.965","0.003","108.642","0.003","100.671","0.004","91.455","0.004","1552","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O9 -","- C30 H32 Cu2 N4 O9 -","- C60 H64 Cu4 N8 O18 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1184","0.0675","","","0.169","0.239","","","","","","1.119","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219070","11.5804","0.0016","11.6236","0.0016","12.3308","0.0018","113.262","0.002","114.306","0.002","96.107","0.002","1316.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N4 O8 -","- C25 H29 Cu2 N4 O8 -","- C50 H58 Cu4 N8 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.0737","0.0446","","","0.0994","0.109","","","","","","0.903","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219073","9.4625","0.0003","10.8617","0.0004","10.8624","0.0004","61.068","0.002","79.796","0.002","71.95","0.002","928.5","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","1","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0818","0.0485","","","0.107","0.1238","","","","","","0.99","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219074","8.8772","0.0007","9.1848","0.0007","12.0335","0.001","90","","94.284","0.001","90","","978.41","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0632","0.0545","","","0.1652","0.1727","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219082","9.6484","0.0006","11.7939","0.0007","11.8603","0.0005","73.671","0.004","67.426","0.005","74.356","0.005","1175.85","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mg2 O14 S2 -","- C18 H22 Mg2 O14 S2 -","- C36 H44 Mg4 O28 S4 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0615","0.0499","","","0.1238","0.132","","","","","","1.007","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219083","10.6233","0.0003","14.7624","0.0005","15.8152","0.0004","76.453","0.002","74.011","0.002","70.088","0.003","2214.51","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Mg4 O20 S8 -","- C32 H32 Mg4 O20 S8 -","- C64 H64 Mg8 O40 S16 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54184","CuKα","","0.068","0.0626","","","0.1585","0.1632","","","","","","1.011","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219084","22.2398","0.0001","22.2398","0.0001","12.301","0.0001","90","","90","","90","","6084.18","0.06","100","2","100","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C22 H29.5 Mg2 N2.5 O12 S2 -","- C14 H7 Mg2 O10 S2 -","- C112 H56 Mg16 O80 S16 -","8","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54178","CuKα","","0.0323","0.0308","","","0.0898","0.0917","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219087","6.3606","0.0008","8.016","0.001","20.077","0.003","90","","93.498","0.002","90","","1021.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O2 -","- C10 H8 Ag N3 O2 -","- C40 H32 Ag4 N12 O8 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0283","0.0259","","","0.0712","0.0725","","","","","","1.078","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219088","23.034","0.008","9.401","0.003","9.582","0.003","90","","104.962","0.004","90","","2004.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H17 Cu N6 O5 -","- C80 H68 Cu4 N24 O20 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0686","0.0414","","","0.0864","0.0989","","","","","","1.015","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219089","23.812","0.005","8.411","0.0015","10.8594","0.0019","90","","111.132","0.004","90","","2028.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Eu N6 O6 -","- C21 H16 Eu N6 O6 -","- C84 H64 Eu4 N24 O24 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0775","0.0819","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219090","10.788","0.0012","25.337","0.003","9.4619","0.001","90","","97.026","0.001","90","","2566.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ag N4 O4 -","- C30 H23 Ag N4 O4 -","- C120 H92 Ag4 N16 O16 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0593","0.0383","","","0.0843","0.0946","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219091","14.578","0.003","5.8741","0.0014","15.358","0.004","90","","96.23","0.003","90","","1307.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cu N4 O4 -","- C30 H22 Cu N4 O4 -","- C60 H44 Cu2 N8 O8 -","2","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0364","0.0299","","","0.0773","0.0818","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219092","17.931","0.004","8.4694","0.0019","26.347","0.006","90","","93.148","0.003","90","","3995.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Eu N6 O6 -","- C45 H33 Eu N6 O6 -","- C180 H132 Eu4 N24 O24 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0831","0.0559","","","0.1463","0.1629","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219093","13.883","0.003","14.024","0.003","15.361","0.004","109.019","0.003","106.371","0.002","98.531","0.004","2616","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0957","0.0737","","","0.1654","0.1846","","","","","","1.105","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219094","13.963","0.002","14.045","0.002","15.374","0.003","108.936","0.002","106.425","0.002","98.499","0.002","2638.4","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0675","0.0564","","","0.1586","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219095","13.74","0.02","14","0.04","15.31","0.03","109.27","0.07","106.002","0.004","98.57","0.02","2577","10","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.1288","0.0897","","","0.2305","0.2559","","","","","","1.06","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219096","6.8141","0.0005","7.9189","0.0008","8.5887","0.0006","90","","90","","90","","463.45","0.07","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0406","0.033","","","0.0751","0.0777","","","","","","1.049","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219097","6.797","0.0005","7.9162","0.0008","8.5951","0.0006","90","","90","","90","","462.47","0.07","275","2","275","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0414","0.0341","","","0.0747","0.0769","","","","","","1.085","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219098","6.7737","0.0005","7.917","0.0008","8.5989","0.0005","90","","90","","90","","461.14","0.06","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0389","0.0314","","","0.0701","0.0725","","","","","","1.096","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219099","6.7518","0.0004","7.9135","0.0007","8.6022","0.0005","90","","90","","90","","459.62","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.035","0.029","","","0.0636","0.0649","","","","","","1.066","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219100","6.7285","0.0004","7.9107","0.0007","8.6056","0.0005","90","","90","","90","","458.05","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0342","0.0291","","","0.0672","0.0687","","","","","","1.036","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219101","6.7099","0.0004","7.909","0.0007","8.6098","0.0005","90","","90","","90","","456.91","0.06","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0308","0.0265","","","0.0617","0.0628","","","","","","1.074","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219102","6.6925","0.0004","7.9071","0.0007","8.6136","0.0005","90","","90","","90","","455.82","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0293","0.0254","","","0.0633","0.0646","","","","","","1.038","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219103","6.6768","0.0004","7.9039","0.0007","8.6154","0.0005","90","","90","","90","","454.66","0.06","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0291","0.026","","","0.0605","0.0612","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219104","6.6605","0.0004","7.9","0.0007","8.617","0.0005","90","","90","","90","","453.41","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0284","0.0252","","","0.0591","0.0601","","","","","","1.093","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219105","14.5652","0.0016","6.8755","0.0006","6.1405","0.0005","90","","90","","90","","614.93","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.056","0.0402","","","0.0969","0.1036","","","","","","1.051","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219106","14.5609","0.0016","6.8598","0.0006","6.129","0.0005","90","","90","","90","","612.19","0.1","275","2","275","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0575","0.0416","","","0.0966","0.1031","","","","","","1.055","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219107","14.5561","0.0015","6.8446","0.0005","6.1179","0.0005","90","","90","","90","","609.53","0.09","250","2","250","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0563","0.0404","","","0.0956","0.1024","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219108","14.5514","0.0015","6.8288","0.0005","6.1066","0.0005","90","","90","","90","","606.8","0.09","225","2","225","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0537","0.041","","","0.0951","0.0997","","","","","","1.077","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219109","14.5449","0.0014","6.8144","0.0005","6.0963","0.0004","90","","90","","90","","604.23","0.08","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0484","0.0375","","","0.0886","0.0929","","","","","","1.083","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219110","14.5416","0.0013","6.8003","0.0004","6.0871","0.0004","90","","90","","90","","601.94","0.08","175","2","175","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0453","0.0365","","","0.0882","0.0916","","","","","","1.101","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219111","14.5379","0.0013","6.7879","0.0004","6.0772","0.0004","90","","90","","90","","599.71","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0451","0.0369","","","0.0893","0.0924","","","","","","1.083","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219112","14.534","0.0013","6.777","0.0004","6.0668","0.0004","90","","90","","90","","597.56","0.08","125","2","125","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.045","0.0359","","","0.0876","0.0912","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219113","14.5314","0.0013","6.7663","0.0004","6.0577","0.0004","90","","90","","90","","595.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0839","0.0871","","","","","","1.102","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219116","10.882","0.002","11.587","0.002","13.273","0.003","113.3","0.03","96.32","0.03","95.46","0.03","1510","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","1","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1029","0.0688","","","0.1515","0.1758","","","","","","1.064","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219117","23.402","0.002","21.76","0.002","26.461","0.003","90","","116.239","0.002","90","","12086","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cu3 Mo12 N8 O40.5 P -","- C35 H30 Cu3 Mo12 N8 O40.5 P -","- C280 H240 Cu24 Mo96 N64 O324 P8 -","8","1","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.0886","0.0549","","","0.1388","0.1555","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219118","10.8252","0.0014","10.8613","0.0014","23.243","0.003","90","","104.379","0.005","90","","2647.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu2 Mo12 N6 O40 P -","- C25 H16 Cu2 Mo12 N6 O40 P -","- C50 H32 Cu4 Mo24 N12 O80 P2 -","2","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.071","0.0566","","","0.1359","0.1454","","","","","","1.015","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219119","22.726","0.004","15.455","0.003","12.036","0.002","90","","115.17","0.03","90","","3826","1.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H44 Cu2 N10 O42 P W12 -","- C54 H40 Cu2 N10 O42 P W12 -","- C108 H80 Cu4 N20 O84 P2 W24 -","2","0.25","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1086","0.1017","","","0.2294","0.2347","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219120","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","12-2Ar","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability","CrystEngComm","2015","17","6","1439","","10.1039/C4CE01879F","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219122","11.823","0.002","5.3348","0.0011","20.053","0.004","90","","94.81","0.003","90","","1260.4","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0386","0.0344","","","0.0776","0.0808","","","","","","1.025","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219124","11.6229","0.0004","8.0177","0.0003","26.8738","0.001","90","","93.789","0.001","90","","2498.87","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C96 H96 Cd8 O48 -","8","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0465","0.042","","","0.0946","0.0972","","","","","","1.159","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219127","7.8693","0.0013","5.1027","0.0008","23.951","0.004","90","","90.465","0.003","90","","961.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N4 O6 -","- C18 H20 B2 N4 O6 -","- C36 H40 B4 N8 O12 -","2","0.5","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0417","0.0373","","","0.1049","0.1086","","","","","","1.048","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219129","5.1113","0.0007","11.2936","0.0016","12.0927","0.0017","76.589","0.002","84.831","0.002","78.494","0.002","664.67","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C24 H24 B2 I2 N4 O6 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0381","0.0327","","","0.074","0.0758","","","","","","1.058","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219138","5.151716","0.000065","5.151716","0.000065","11.26442","0.00016","90","","90","","90","","298.96","0.007","300","","300","","","","","","","","","6","I -4","I -4","82","","","","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","1","0.125","","Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan","Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors.","Physical chemistry chemical physics : PCCP","2015","17","5","3689","3696","10.1039/c4cp03950e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.91","1.993","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7219144","11.3111","0.0015","13.5636","0.0018","16.321","0.002","81.613","0.002","75.368","0.002","67.987","0.002","2242.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Hg3 I6 N4 O2 -","- C35 H32 Hg3 I6 N4 O2 -","- C70 H64 Hg6 I12 N8 O4 -","2","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0584","0.0471","","","0.1245","0.1326","","","","","","1.037","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219146","10.8182","0.0005","20.4671","0.001","18.6333","0.0009","90","","101.76","0.001","90","","4039.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Ag2 Cl4 N6 O2 -","- C43 H38 Ag2 Cl4 N6 O2 -","- C172 H152 Ag8 Cl16 N24 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0442","0.0354","","","0.0877","0.0934","","","","","","1.046","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219147","14.416","0.0012","15.8007","0.0013","23.0337","0.0014","90","","127.396","0.003","90","","4168.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl10 Hg5 N4 O2 -","- C27 H32 Cl10 Hg5 N4 O2 -","- C108 H128 Cl40 Hg20 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0539","0.037","","","0.0788","0.0895","","","","","","1.011","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219149","10.84","0.004","13.647","0.005","25.631","0.009","90","","102.5","0.013","90","","3702","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag Cr N4 O5.5 -","- C38 H42 Ag Cr N4 O5.5 -","- C152 H168 Ag4 Cr4 N16 O22 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0677","0.0603","","","0.1639","0.1718","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219151","11.4527","0.0006","20.9738","0.0011","15.9974","0.0008","90","","99.621","0.001","90","","3788.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl4 Hg2 N4 O2 -","- C38 H42 Cl4 Hg2 N4 O2 -","- C152 H168 Cl16 Hg8 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0311","0.0259","","","0.0628","0.0695","","","","","","1.049","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219152","15.457","0.0004","13.4361","0.0002","13.8616","0.0003","90","","113.356","0.003","90","","2642.91","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 F12 N4 Ni2 O12 -","- C54 H40 F12 N4 Ni2 O12 -","- C108 H80 F24 N8 Ni4 O24 -","2","0.5","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0428","0.0328","","","0.0812","0.0887","","","","","","1.026","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219153","29.6835","0.001","22.611","0.0008","8.2315","0.0002","90","","92.633","0.003","90","","5518.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H84 F24 N10 Ni4 O21 -","- C111 H84 F24 N10 Ni4 O21 -","- C222 H168 F48 N20 Ni8 O42 -","2","0.25","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0651","0.0515","","","0.1467","0.1562","","","","","","1.071","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219154","12.1471","0.0004","14.5855","0.0007","17.494","0.0007","111.295","0.004","90.612","0.003","91.087","0.003","2886.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 F12 N4 Ni2 O13 -","- C55 H42 F12 N4 Ni2 O12.25 -","- C110 H84 F24 N8 Ni4 O24.5 -","2","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.09","0.0799","","","0.211","0.2167","","","","","","1.187","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219155","14.4565","0.0004","38.2307","0.0008","10.008","0.0002","90","","109.779","0.003","90","","5204.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C228 H156 F48 N20 O36 Zn8 -","8","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","0.71073","MoKα","","0.0612","0.0389","","","0.0987","0.1091","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219156","27.963","0.013","5.091","0.002","16.89","0.008","90","","118.873","0.007","90","","2105.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C80 H96 N16 O28 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.069","0.0508","","","0.1341","0.1631","","","","","","0.91","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219159","6.886","0.007","19.68","0.02","16.336","0.019","90","","100.08","0.02","90","","2180","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O10 -","- C18 H26 N4 O10 -","- C72 H104 N16 O40 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0957","0.0647","","","0.1755","0.2005","","","","","","1.295","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219160","6.8078","0.0013","10.6592","0.0018","10.84","0.002","61.373","0.013","71.958","0.014","84.063","0.014","655.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 F4 N4 O4 -","- C32 H18 F4 N4 O4 -","- C32 H18 F4 N4 O4 -","1","0.5","","Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus","Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane.","Physical chemistry chemical physics : PCCP","2015","17","6","4118","4126","10.1039/c4cp04461d","","","0.71073","MoKα","","0.0933","0.0551","","","0.1247","0.1383","","","","","","0.954","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219166","21.622","0.002","17.5525","0.0016","16.4817","0.0016","90","","110.836","0.002","90","","5846.1","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co1.5 N3 O21 Ru3 -","- C30 H30 Co1.5 N3 O21 Ru3 -","- C120 H120 Co6 N12 O84 Ru12 -","4","0.5","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.49594","","","0.1482","0.0847","","","0.2264","0.2506","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219167","55.289","0.013","28.916","0.005","17.468","0.003","90","","95.92","0.005","90","","27778","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C180 H196 Co3 N18 O124 Ru24 -","- C180 H180 Co3 N18 O124 Ru24 -","- C360 H360 Co6 N36 O248 Ru48 -","2","0.25","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.44487","","","0.1627","0.1287","","","0.353","0.3774","","","","","","1.343","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219168","30.4852","0.001","9.0518","0.0003","20.1865","0.0007","90","","107.086","0.003","90","","5324.5","0.3","129.8","0.5","129.8","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Eu2 N2 O19 -","- C50 H46 Eu2 N2 O19 -","- C200 H184 Eu8 N8 O76 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0532","0.0485","","","0.1256","0.1312","","","","","","1.036","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219169","30.379","0.002","8.9963","0.0004","20.1175","0.0014","90","","107.423","0.008","90","","5245.8","0.6","130.4","0.2","130.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N2 O19 Tb2 -","- C50 H46 N2 O19 Tb2 -","- C200 H184 N8 O76 Tb8 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0848","0.0794","","","0.2103","0.2169","","","","","","1.047","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219170","9.4805","0.0004","13.8989","0.0007","16.646","0.0009","85.35","0.004","76.57","0.004","72.158","0.005","2030.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Eu N3 O15 -","- C37 H42 Eu N3 O15 -","- C74 H84 Eu2 N6 O30 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0389","0.0331","","","0.079","0.0828","","","","","","1.063","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219171","9.3955","0.0005","13.8663","0.0006","16.5559","0.001","85.363","0.004","76.965","0.005","72.239","0.005","2001","0.2","130.3","0.14","130.3","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N3 O15 Tb -","- C37 H42 N3 O15 Tb -","- C74 H84 N6 O30 Tb2 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0347","0.0308","","","0.0693","0.0726","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219172","9.4187","0.0006","28.0878","0.0014","16.7579","0.0011","90","","99.446","0.006","90","","4373.2","0.5","133.8","0.2","133.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu2 N O18 -","- C45 H35 Eu2 N O18 -","- C180 H140 Eu8 N4 O72 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0662","0.0512","","","0.12","0.1305","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219173","9.3673","0.0004","27.9636","0.0009","16.8012","0.0006","90","","99.382","0.004","90","","4342.1","0.3","129.6","0.2","129.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 N O18 Tb2 -","- C45 H35 N O18 Tb2 -","- C180 H140 N4 O72 Tb8 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0505","0.0432","","","0.1007","0.1056","","","","","","1.08","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219174","14.774","0.002","14.774","0.002","14.774","0.002","90","","90","","90","","3224.7","0.8","150","0.2","150","0.2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C6 H28 Mo3 N14 O2 Re3 S8 Zn3 -","- C6 H24.48 Mo3 N14 O1.98 Re3 S8 Zn3 -","- C24 H97.92 Mo12 N56 O7.92 Re12 S32 Zn12 -","4","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0535","0.0433","","","0.1079","0.1169","","","","","","1.178","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219175","14.9831","0.0003","14.9831","0.0003","14.9831","0.0003","90","","90","","90","","3363.61","0.12","150","0.2","150","0.2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C18 H114 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","1","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0534","0.038","","","0.1217","0.1327","","","","","","1.123","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219176","12.291","0.003","7.4147","0.0015","34.667","0.007","90","","90","","90","","3159.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C144 H120 N8 O40 -","8","1","","Sharma, Siddharth; Singh, Ajay K.; Singh, Devendra; Kim, Dong-Pyo","Chemical fixation of carbon dioxide by copper catalyzed multicomponent reactions for oxazolidinedione syntheses","Green Chem.","2015","17","3","1404","","10.1039/C4GC02089H","","","0.71073","MoKα","","0.1129","0.0506","","","0.1125","0.1372","","","","","","1.016","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219184","9.4022","0.0008","13.4466","0.0012","17.5161","0.0015","89.367","0.002","87.358","0.001","87.449","0.001","2209.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N14 Ni2 O14 V4 -","- C28 H46 N14 Ni2 O14 V4 -","- C56 H92 N28 Ni4 O28 V8 -","2","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0825","0.0469","","","0.087","0.0954","","","","","","1.021","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219186","9.4328","0.0011","16.3873","0.0017","11.3981","0.0012","90","","99.731","0.002","90","","1736.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 O7 V2 -","- C10 H18 Cd N4 O7 V2 -","- C40 H72 Cd4 N16 O28 V8 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0515","0.0329","","","0.0603","0.0691","","","","","","1.066","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219187","8.0979","0.0004","10.1206","0.0006","20.3102","0.0012","78.159","0.004","88.1","0.003","69.662","0.003","1526.23","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6b.Br","","- C29 H48 Br N5 O3 -","- C29 H48 Br N5 O3 -","- C58 H96 Br2 N10 O6 -","2","1","","Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine","Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.","Physical chemistry chemical physics : PCCP","2015","17","13","8382","8392","10.1039/c4cp04783d","","","0.71073","MoKα","","0.0682","0.0413","","","0.0856","0.0911","","","","","","1.033","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219188","9.7566","0.0005","9.1438","0.0005","42.575","0.002","90","","91.25","0.003","90","","3797.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6a.Cl","","- C31 H48 Cl7 N5 O2 -","- C31 H48 Cl7 N5 O2 -","- C124 H192 Cl28 N20 O8 -","4","1","","Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine","Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.","Physical chemistry chemical physics : PCCP","2015","17","13","8382","8392","10.1039/c4cp04783d","","","0.71073","MoKα","","0.0612","0.04","","","0.078","0.0827","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219198","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219199","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219200","10.975","0.004","21.227","0.007","34.042","0.01","87.099","0.007","82.157","0.006","83.536","0.006","7802","4","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H196 Cl6 N2 O32 Si16 -","- C128 H196 Cl6 N2 O32 Si16 -","- C256 H392 Cl12 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4307","0.1564","","","0.3682","0.4661","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219201","15.31","0.008","15.323","0.009","37.78","0.02","100.751","0.01","95.049","0.011","102.622","0.01","8420","8","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C135 H193 Cl9 N2 O32 Si16 -","- C135 H193 Cl9 N2 O32 Si16 -","- C270 H386 Cl18 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4064","0.1858","","","0.4245","0.5002","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219202","11.3824","0.0002","21.8344","0.0004","23.7734","0.0005","86.5313","0.0016","81.6042","0.0018","83.2088","0.0017","5798.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 N2 O28 Si16 -","- C86 H146 N2 O28 Si16 -","- C172 H292 N4 O56 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","1.5418","CuKα","","0.3009","0.2148","","","0.5006","0.5282","","","","","","1.159","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219205","11.9644","0.0011","11.7512","0.0009","20.5623","0.0016","90","","96.341","0.008","90","","2873.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N16 Ni2 O4 -","- C25 H24 N16 Ni2 O4 -","- C100 H96 N64 Ni8 O16 -","4","0.5","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.0719","0.0407","","","0.0764","0.0819","","","","","","0.898","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219206","16.2734","0.0018","18.977","0.003","19.136","0.002","90","","111.964","0.014","90","","5480.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 Mn N14 O12 -","- C51 H48 Mn N14 O12 -","- C204 H192 Mn4 N56 O48 -","4","1","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1009","0.0469","","","0.1081","0.1197","","","","","","0.836","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219207","10.2918","0.0001","10.2918","0.0001","33.1588","0.0008","90","","90","","90","","3512.22","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H24 Co2 N16 O4 -","- C25 H24 Co2 N16 O4 -","- C100 H96 Co8 N64 O16 -","4","0.25","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","1.54178","CuKα","","0.0607","0.0469","","","0.1651","0.1758","","","","","","1.104","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219208","5.19126","0.00015","33.428","0.001","9.217","0.0003","90","","112.021","0.0014","90","","1482.77","0.08","298.1","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.05","","","","0.151","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219209","7.12742","0.00015","12.8781","0.0003","15.9623","0.0005","90","","103.45","0.0014","90","","1424.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.037","","","","0.1004","","","","","","1.073","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219210","4.88516","0.00018","8.6653","0.0003","18.6176","0.0007","86.98","0.003","85.549","0.003","80.147","0.002","773.52","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.0549","","","","0.1249","","","","","","0.923","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219211","9.7549","0.0013","13.1891","0.0017","10.508","0.0013","90","","109.603","0.004","90","","1273.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cd2 N2 O12 -","- C22 H24 Cd2 N2 O12 -","- C44 H48 Cd4 N4 O24 -","2","1","","Han, Zhengbo; Zhang, Xiao-Nan; Liu, Lin; Gao, Ming-Liang; Yuan, Daqiang","A dual-functional Cd(II)-organic-framework demonstrating selective sensing of Zn2+ and Fe3+ ions exclusively and size-selective catalysis towards cyanosilylation","RSC Adv.","2015","","","","","10.1039/C4RA11678J","","","0.71073","MoKα","","0.0435","0.0373","","","0.0559","0.0571","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219212","7.807","0.003","6.49","0.003","10.879","0.003","90","","117.15","0.02","90","","490.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0482","0.0466","","","0.1285","0.1304","","","","","","1.043","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219213","11.4672","0.0009","7.1734","0.0006","17.2977","0.0014","90","","102.957","0.001","90","","1386.66","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Cl Cu2 N4 S -","- C2 H3 Cl Cu2 N4 S -","- C16 H24 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0228","0.0204","","","0.0485","0.0495","","","","","","1.067","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219214","8.7795","0.0014","6.4704","0.0011","10.8283","0.0017","90","","106.422","0.002","90","","590.03","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0303","0.0266","","","0.0666","0.0684","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219215","11.1796","0.0017","8.4442","0.0014","17.314","0.003","90","","103.158","0.002","90","","1591.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl Cu2 N4 S -","- C3 H5 Cl Cu2 N4 S -","- C24 H40 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0384","0.0351","","","0.08","0.0813","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219216","11.8373","0.001","11.5492","0.0009","12.7035","0.001","90","","95.068","0.001","90","","1729.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd3 O14 -","- C13 H12 Cd3 O14 -","- C52 H48 Cd12 O56 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Wen, Hui-Liang; Tan, Sheng-Shui; John Zhang, Z.","A rare I2O3hybrid organic‒inorganic material with high connectivity and quadruple-stranded helices","CrystEngComm","2015","17","7","1518","","10.1039/C4CE02253J","","","0.71073","MoKα","","0.0312","0.0288","","","0.0811","0.0826","","","","","","1.089","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219217","15.655","0.003","16.561","0.003","21.2","0.003","90","","120.567","0.009","90","","4732.6","1.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N6 O5 Zn -","- C23 H14 N6 O5 Zn -","- C184 H112 N48 O40 Zn8 -","8","1","","Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali","An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes","CrystEngComm","2015","17","7","1680","","10.1039/C4CE02141J","","","0.71073","MoKα","","0.1354","0.0805","","","0.1589","0.1747","","","","","","1.083","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219218","10.226","0.002","12.25","0.003","13.744","0.003","102.5","0.003","97.563","0.003","104.646","0.003","1594.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.64 H62 Dy4 Fe2 N10 O35.36 -","- C39.64 H54.04 Dy4 Fe2 N10 O35.36 -","- C39.64 H54.04 Dy4 Fe2 N10 O35.36 -","1","0.5","","Powell, Annie K.; Polyzou, Christina D.; Baniodeh, Amer; Magnani, Nicola; Mereacre, Valeriu; Zill, Nicolas; Anson, Christopher; Perlepes, Spyros P.","Squashed {FeIII2MIII4} octahedra (M = Y, Gd, Dy) from the first use of the cyanoacetate ligand in 3d/4f coordination chemistry","RSC Adv.","2015","","","","","10.1039/C4RA15458D","","","0.8","synchrotron","","0.0275","0.0257","","","0.0648","0.0657","","","","","","1.029","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219219","8.3766","0.0008","6.2427","0.0006","17.4768","0.0017","90","","102.314","0.006","90","","892.88","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 -","- C6 H9 N3 O5 -","- C24 H36 N12 O20 -","4","1","","Frontera, Antonio; Banik, Rupak; Roy, Subhadip; Bauza, Antonio; Das, Subrata","Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study","RSC Adv.","2015","","","","","10.1039/C4RA10251G","","","0.71073","MoKα","","0.0563","0.0495","","","0.1397","0.149","","","","","","1.046","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219220","27.5068","0.0012","27.5068","0.0012","24.343","0.002","90","","90","","120","","15950.9","1.6","296","2","296","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C26 H28 Cd N10 O10 -","- C26 H24 Cd N10 O8 -","- C468 H432 Cd18 N180 O144 -","18","","","Frontera, Antonio; Banik, Rupak; Roy, Subhadip; Bauza, Antonio; Das, Subrata","Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study","RSC Adv.","2015","","","","","10.1039/C4RA10251G","","","0.71073","MoKα","","0.0672","0.0368","","","0.0856","0.1045","","","","","","1.113","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219221","8.4597","0.0005","9.1787","0.0005","10.2999","0.0006","88.351","0.002","85.19","0.002","62.638","0.002","707.75","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cd N8 O12 -","- C22 H30 Cd N8 O12 -","- C22 H30 Cd N8 O12 -","1","0.5","","Frontera, Antonio; Banik, Rupak; Roy, Subhadip; Bauza, Antonio; Das, Subrata","Cadmium(II) complexes containing N,N´-dimethylvioluric acid as ligand or counteranion: Synthesis, characterization, crystal structures and DFT study","RSC Adv.","2015","","","","","10.1039/C4RA10251G","","","0.71073","MoKα","","0.0233","0.0231","","","0.0644","0.0646","","","","","","1.218","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219222","7.8197","0.0004","17.8112","0.0009","26.5942","0.0014","90","","90","","90","","3704","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 Co F2 N6 O4 -","- C18 H12 Co F2 N6 O4 -","- C144 H96 Co8 F16 N48 O32 -","8","1","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0363","0.0278","","","0.0649","0.0692","","","","","","1.025","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219223","7.3743","0.0004","8.4333","0.0005","10.3961","0.0005","92.632","0.002","94.015","0.002","94.544","0.002","642.05","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cd F2 N10 O4 -","- C24 H18 Cd F2 N10 O4 -","- C24 H18 Cd F2 N10 O4 -","1","0.5","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0251","0.024","","","0.0622","0.0636","","","","","","1.062","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219224","8.4112","0.0005","6.8339","0.0005","13.2136","0.0008","90","","96.514","0.006","90","","754.63","0.09","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C12 H14 Co F2 N2 O8 -","- C12 H14 Co F2 N2 O8 -","- C24 H28 Co2 F4 N4 O16 -","2","0.25","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71","MoKα","","0.0424","0.0379","","","0.0962","0.1009","","","","","","1.002","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219225","20.5004","0.0007","20.5004","0.0007","13.9201","0.0006","90","","90","","90","","5850.2","0.4","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H7 F2 N2 Ni O4.5 -","- C12 H7 F2 N2 Ni O4.5 -","- C192 H112 F32 N32 Ni16 O72 -","16","1","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0444","0.0352","","","0.0891","0.0955","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219226","14.6749","0.001","8.0043","0.0004","21.4102","0.0017","90","","107.405","0.007","90","","2399.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cd F2 N4 O6 -","- C24 H18 Cd F2 N4 O6 -","- C96 H72 Cd4 F8 N16 O24 -","4","1","","Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei","Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks","RSC Adv.","2015","","","","","10.1039/C4RA14534H","","","0.71073","MoKα","","0.0924","0.0613","","","0.1333","0.1595","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219227","10.6419","0.0019","16.053","0.003","10.709","0.002","90","","90.097","0.008","90","","1829.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","2","","Das, Asish R.; Pradhan, Koyel; Paul, Sanjay","Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot","RSC Adv.","2015","","","","","10.1039/C4RA12618A","","","0.71073","MoKα","","0.0762","0.0511","","","0.1169","0.1303","","","","","","0.989","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219228","8.4783","0.0014","13.296","0.002","15.679","0.003","90","","90","","90","","1767.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Das, Asish R.; Pradhan, Koyel; Paul, Sanjay","Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot","RSC Adv.","2015","","","","","10.1039/C4RA12618A","","","0.71073","MoKα","","0.0457","0.0384","","","0.1114","0.1208","","","","","","0.784","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219229","5.244797","0.00003","5.244797","","11.3813","0.00013","90","","90","","90","","313.076","0.004","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Calcium tungstate","","","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.05","0.0342","","","0.0666","","0.02583","","1.95","","","1.95","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219230","5.24701","0.00005","5.24701","","11.3846","0.00018","90","","90","","90","","313.431","0.006","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.99 Eu0.01 O4 W -","- Ca0.98967 Eu0.01059 O4 W -","- Ca3.95868 Eu0.04236 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0548","0.0326","","","0.0729","","0.04681","","2.24","","","2.24","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219231","5.24643","0.00006","5.24643","","11.38357","0.00021","90","","90","","90","","313.333","0.007","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.98 Eu0.02 O4 W -","- Ca0.9804 Eu0.0196 O4 W -","- Ca3.9216 Eu0.0784 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0591","0.0342","","","0.0799","","0.02956","","2.34","","","2.34","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219232","5.24682","0.00004","5.24682","","11.38143","0.00016","90","","90","","90","","313.321","0.005","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.96 Eu0.04 O4 W -","- Ca0.96289 Eu0.03711 O4 W -","- Ca3.85156 Eu0.14844 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0472","0.0322","","","0.0633","","0.0235","","1.97","","","1.97","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219233","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219234","3.725","0.001","7.368","0.002","20.417","0.004","90","","91.47","0.01","90","","560.2","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.06","0.0457","","","0.1172","0.1274","","","","","","1.047","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219235","9.997","0.002","3.754","0.001","15.362","0.003","90","","106.31","0.03","90","","553.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0569","0.0427","","","0.1083","0.1187","","","","","","1.094","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219236","9.773","0.002","4.052","0.0008","14.993","0.005","90","","109.95","0.03","90","","558.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0479","0.0379","","","0.1102","0.1165","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7219237","15.563","0.003","17.642","0.003","17.736","0.005","116.804","0.009","92.853","0.016","107.383","0.012","4049.4","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H44 Cu8 N36 -","- C76 H44 Cu8 N36 -","- C152 H88 Cu16 N72 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.0743","0.051","","","0.1245","0.1424","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219238","11.446","0.01","13.434","0.014","15.352","0.015","79.59","0.03","76.45","0.03","79.82","0.04","2235","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Cu5 N19 O2 -","- C39 H21 Cu5 N19 O2 -","- C78 H42 Cu10 N38 O4 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.1241","0.0827","","","0.2362","0.3222","","","","","","1.061","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219239","5.6775","0.0003","11.7141","0.0007","18.3172","0.0011","90","","98.832","0.001","90","","1203.77","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0666","0.0589","","","0.1413","0.1484","","","","","","1.054","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219240","26.2548","0.0016","6.0047","0.0004","27.3511","0.0017","90","","117.786","0.002","90","","3814.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C168 H192 O24 -","24","3","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0491","0.0377","","","0.0936","0.1016","","","","","","1.02","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219241","15.4965","0.0007","16.8579","0.0007","12.6159","0.0006","90","","90","","90","","3295.8","0.3","153","2","153","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H62 Al3 Fe2 Li N4 O2 -","- C20 H62 Al3 Fe2 Li N4 O2 -","- C80 H248 Al12 Fe8 Li4 N16 O8 -","4","1","","Gieshoff, Tim N.; Villa, Matteo; Welther, Alice; Plois, Markus; Chakraborty, Uttam; Wolf, Robert; Jacobi von Wangelin, Axel","Iron-catalyzed olefin hydrogenation at 1 bar H2with a FeCl3‒LiAlH4catalyst","Green Chem.","2015","17","3","1408","","10.1039/C4GC02368D","","","0.71073","MoKα","","0.0489","0.0329","","","0.0678","0.0741","","","","","","1.019","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219242","13.405","0.003","14.705","0.004","13.388","0.003","90","","99.357","0.004","90","","2603.9","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 Dy2 N5 O22 -","- C45 H34 Dy2 N5 O22 -","- C90 H68 Dy4 N10 O44 -","2","0.5","","Li, Qipeng; Du, Shaowu","A family of 3D lanthanide organic frameworks with tunable luminescence and slow magnetic relaxation","RSC Adv.","2015","","","","","10.1039/C4RA14939D","","","0.71073","MoKα","","0.0345","0.0316","","","0.073","0.0748","","","","","","1.046","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219243","13.4721","0.0006","14.8138","0.0007","13.4131","0.0008","90","","99.142","0.003","90","","2642.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 N5 O22 Sm2 -","- C45 H34 N5 O22 Sm2 -","- C90 H68 N10 O44 Sm4 -","2","0.5","","Li, Qipeng; Du, Shaowu","A family of 3D lanthanide organic frameworks with tunable luminescence and slow magnetic relaxation","RSC Adv.","2015","","","","","10.1039/C4RA14939D","","","0.71073","MoKα","","0.0506","0.0411","","","0.0959","0.0989","","","","","","1.085","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219244","14.9469","0.0005","16.0111","0.0005","23.5378","0.0006","90","","90","","90","","5633","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","bis(sparfloxacinato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4)","bis(5-amino-1-cyclopropyl-7-[(3R,5S)3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylato-O,O')-(1,10-phenanthroline-N,N')-manganese(II)‒methanol(1/4)","","- C54 H66 F4 Mn N10 O10 -","- C54 H66 F4 Mn N10 O10 -","- C216 H264 F16 Mn4 N40 O40 -","4","0.5","","Zampakou, Marianthi; Balala, Sofia; Perdih, Franc; Kalogiannis, Stavros; Turel, Iztok; Psomas, George L.","Structure, antimicrobial activity, albumin‒ and DNA‒binding of manganese(II)‒sparfloxacinato complexes","RSC Adv.","2015","","","","","10.1039/C4RA11682H","","","0.71073","MoKα","","0.1068","0.0535","","","0.118","0.1406","","","","","","1.024","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219251","10.43","0.002","11.6","0.002","19.635","0.004","89.474","0.003","84.908","0.004","83.509","0.003","2351.1","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H43 F12 N9 O2 P2 Ru -","- C42.002 H43.006 F12 N9 O2.001 P2 Ru -","- C84.004 H86.012 F24 N18 O4.002 P4 Ru2 -","2","1","","Zhang, Yan; Hu, Pengchao; Cai, Ping; Yang, Fang; Cheng, Gongzhen","Synthesis, Characterization, Crystal structure, Cytotoxicity, Apoptosis and Cell Cycle Arrest of Ruthenium(II) Complex","RSC Adv.","2015","","","","","10.1039/C4RA12715C","","","0.71073","MoKα","","0.114","0.0729","","","0.1773","0.2036","","","","","","1.034","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219252","14.015","0.004","17.35","0.006","7.95","0.002","90","","90","","90","","1933.1","1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","14-(4-methylphenyl)-7,14-dihydro-dibenzo[a,j]xanthene","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","1","","Das, Jupitara; Das, Pranab Jyoti","Secondary amine based ionic liquid: an efficient catalyst for solvent free one pot synthesis of xanthenes and benzoxanthenes","RSC Adv.","2015","","","","","10.1039/C4RA12298D","","","0.71073","MoKα","","0.1146","0.0607","","","0.1219","0.1422","","","","","","1.082","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219253","22.7709","0.0006","11.0788","0.0002","18.5004","0.0006","90","","105.721","0.003","90","","4492.6","0.2","297.78","0.1","297.78","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 N8 O9 Zn2 -","- C48 H28 N8 O9 Zn2 -","- C192 H112 N32 O36 Zn8 -","4","0.5","","Yan, Zhi-hao; Wang, Wen; Zhang, Liangliang; zhang, xiaowei; Wang, Lei; Wang, Rongming; Sun, Daofeng","Crystal structures, topologies and luminescent properties of three Zn(II)/Cd(II) coordination networks based on naphthalene-2,6-dicarboxylic acid and different bis(imidazole) linkers","RSC Adv.","2015","","","","","10.1039/C4RA14862B","","","0.71","MoKα","","0.0587","0.0486","","","0.1353","0.1443","","","","","","1.032","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219254","9.5458","0.0003","10.5524","0.0003","13.9153","0.0005","70.299","0.003","79.799","0.003","72.102","0.003","1251.56","0.08","296.11","0.13","296.11","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O5 Zn -","- C26 H22 N4 O5 Zn -","- C52 H44 N8 O10 Zn2 -","2","1","","Yan, Zhi-hao; Wang, Wen; Zhang, Liangliang; zhang, xiaowei; Wang, Lei; Wang, Rongming; Sun, Daofeng","Crystal structures, topologies and luminescent properties of three Zn(II)/Cd(II) coordination networks based on naphthalene-2,6-dicarboxylic acid and different bis(imidazole) linkers","RSC Adv.","2015","","","","","10.1039/C4RA14862B","","","0.71","MoKα","","0.082","0.0745","","","0.2226","0.2308","","","","","","1.081","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219255","8.336","0.0005","10.5155","0.0006","13.455","0.0008","105.088","0.005","107.87","0.005","90.637","0.005","1078.5","0.12","295.45","0.1","295.45","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Cd N2 O4 -","- C20 H15 Cd N2 O4 -","- C40 H30 Cd2 N4 O8 -","2","1","","Yan, Zhi-hao; Wang, Wen; Zhang, Liangliang; zhang, xiaowei; Wang, Lei; Wang, Rongming; Sun, Daofeng","Crystal structures, topologies and luminescent properties of three Zn(II)/Cd(II) coordination networks based on naphthalene-2,6-dicarboxylic acid and different bis(imidazole) linkers","RSC Adv.","2015","","","","","10.1039/C4RA14862B","","","0.71","MoKα","","0.0437","0.04","","","0.1288","0.1333","","","","","","1.182","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219256","14.3401","0.0005","16.5933","0.0005","15.1214","0.0005","90","","96.339","0.001","90","","3576.1","0.2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl N3 O P2 Ru S -","- C41 H36 Cl N3 O P2 Ru S -","- C164 H144 Cl4 N12 O4 P8 Ru4 S4 -","4","1","","Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.","Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation","RSC Adv.","2015","","","","","10.1039/C4RA14797A","","","0.71073","MoKα","","0.0694","0.0392","","","0.1076","0.1355","","","","","","0.864","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219257","11.08","0.002","22.178","0.004","16.849","0.003","90","","90","","90","","4140.3","1.3","295","2","295","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C44 H42 N6 P2 Ru S2 -","- C44 H42 N6 P2 Ru S2 -","- C176 H168 N24 P8 Ru4 S8 -","4","0.5","","Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.","Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation","RSC Adv.","2015","","","","","10.1039/C4RA14797A","","","0.71073","MoKα","","0.0343","0.0328","","","0.0789","0.0795","","","","","","1.096","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219258","9.4861","0.0004","13.3046","0.0005","21.9391","0.0009","86.469","0.003","79.675","0.003","71.36","0.003","2581.15","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 N3 O P3 Ru S -","- C59 H52 N3 O P3 Ru S -","- C118 H104 N6 O2 P6 Ru2 S2 -","2","1","","Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.","Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation","RSC Adv.","2015","","","","","10.1039/C4RA14797A","","x-ray","0.71073","MoKα","","0.0758","0.0481","","","0.1094","0.1164","","","","","","1.017","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219259","13.2871","0.0011","23.5927","0.0019","23.2585","0.0017","90","","115.738","0.004","90","","6567.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N6 O7 -","- C35 H34 N6 O7 -","- C280 H272 N48 O56 -","8","2","","Mishra, Lallan -; Rai, Abhishek; kumari, Niraj; Nair, Rohini; Singh, Kiran","A new rhodamine derivative as single optical probe for the recognition of Cu2+and Zn2+ ions","RSC Adv.","2015","","","","","10.1039/C4RA13332C","","","0.71073","MoKα","","0.2306","0.1075","","","0.2617","0.3494","","","","","","1.01","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7219260","11.5235","0.0013","12.6902","0.0013","19.485","0.002","74.904","0.003","75.852","0.004","63.906","0.003","2442.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[C3-APy][Ni(dmit2)]3","[C3-APy][Ni(dmit2)]3","","- C26 H13 N2 Ni3 S30 -","- C26 H13 N2 Ni3 S30 -","- C52 H26 N4 Ni6 S60 -","2","1","","Ren, XiaoMing; Wang, Hua-Bing; Yang, Hao; An, De-Yue; Zhou, Lan-Cheng; Liu, Jian-Lan","Observation of a magnetic phase transition but absence of electrical response in a novel new two-dimensional mixed-valence nickel-bis-dithiolene molecular crystal","RSC Adv.","2015","","","","","10.1039/C4RA13354D","","","0.71073","MoKα","","0.1669","0.0646","","","0.1209","0.1557","","","","","","1.008","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219261","15.331","0.003","33.859","0.007","10.827","0.002","90","","104.229","0.003","90","","5447.8","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N3 Ni O6 -","- C30 H20 N3 Ni O6 -","- C240 H160 N24 Ni8 O48 -","8","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0691","0.0553","","","0.1783","0.2238","","","","","","1.047","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219263","9.406","0.004","9.512","0.003","11.655","0.004","75.58","0.006","80.947","0.006","66.329","0.006","923","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N Ni O5 -","- C20 H12 N Ni O5 -","- C40 H24 N2 Ni2 O10 -","2","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.118","0.0874","","","0.3104","0.3773","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219265","12.611","0.0003","13.0901","0.0006","23.1334","0.0011","86.751","0.004","89.566","0.003","66.489","0.004","3495.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H156 Cl4 Co8 O43 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0933","0.0629","","","0.1564","0.1733","","","","","","0.972","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219266","11.7307","0.0006","21.7103","0.0011","27.772","0.0013","90","","89.317","0.005","90","","7072.4","0.6","100","2","100","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -","- C116 H112.6 Cl2 Co8 N2 O22 S8 -","- C232 H225.2 Cl4 Co16 N4 O44 S16 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0972","0.0771","","","0.2223","0.2319","","","","","","1.093","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219268","3.8298","0.0004","13.6659","0.0013","26.168","0.002","90","","91.048","0.005","90","","1369.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0629","0.0446","","","0.1262","0.1351","","","","","","1.392","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219269","10.122","0.002","10.636","0.002","14.713","0.003","94.212","0.011","105.65","0.011","104.86","0.011","1456.8","0.5","569","2","569","2","","","","","","","","4","P -1","-P 1","2","","","","- C26.83 H27.49 N2 O12.11 -","- C26.831 H27.493 N2 O12.114 -","- C53.662 H54.986 N4 O24.228 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1109","0.0641","","","0.1309","0.1429","","","","","","1.681","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219270","10.037","0.003","10.936","0.003","14.655","0.004","94.839","0.015","104.698","0.014","104.297","0.014","1489.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27.92 H30 N2 O12.06 -","- C27.92 H30 N2 O12.06 -","- C55.84 H60 N4 O24.12 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0875","0.0569","","","0.1611","0.1837","","","","","","0.973","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219271","9.525","0.003","27.883","0.009","13.755","0.004","90","","107.856","0.016","90","","3477.2","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","2","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1193","0.0594","","","0.1354","0.1713","","","","","","0.94","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219272","10.979","0.002","11.02","0.002","14.01","0.003","89.54","0.03","78.13","0.03","77.87","0.03","1620.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0938","0.0531","","","0.1479","0.1968","","","","","","0.966","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219273","7.9394","0.0017","11.221","0.002","19.683","0.004","93.603","0.008","92.516","0.007","95.843","0.007","1738.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O7 -","- C40 H34 N4 O7 -","- C80 H68 N8 O14 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0747","0.0517","","","0.1325","0.1713","","","","","","1.189","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219274","15.056","0.002","13.1093","0.0018","15.2651","0.0019","90","","105.105","0.005","90","","2908.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N4 O13 -","- C29 H30 N4 O13 -","- C116 H120 N16 O52 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0847","0.0776","","","0.2056","0.2095","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219275","10.6026","0.0009","14.4115","0.0009","15.2947","0.0015","72.165","0.007","85.457","0.007","86.934","0.006","2216.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43.63 N6 O21.18 S4 -","- C40 H43.65 N6 O21.175 S4 -","- C80 H87.3 N12 O42.35 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0567","0.0441","","","0.1105","0.1203","","","","","","0.827","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219276","12.5233","0.0003","12.7554","0.0004","17.6293","0.0005","77.734","0.002","75.621","0.002","66.431","0.003","2479.93","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H54.84 N6 O25.15 S4 -","- C41.704 H54.846 N6 O25.148 S4 -","- C83.408 H109.692 N12 O50.296 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0448","0.037","","","0.0984","0.1028","","","","","","0.932","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219277","12.4798","0.0005","12.6682","0.0004","17.6904","0.0005","77.545","0.003","75.299","0.003","67.843","0.003","2482.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50.98 N6 O26 S4 -","- C41 H50.986 N6 O26 S4 -","- C82 H101.972 N12 O52 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0557","0.045","","","0.1105","0.1176","","","","","","0.863","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219278","20.2344","0.0004","15.2501","0.0003","17.8339","0.0003","90","","107.069","0.002","90","","5260.72","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 N6 O27 S4 -","- C43 H59 N6 O27 S4 -","- C172 H236 N24 O108 S16 -","4","0.5","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0842","0.0782","","","0.2011","0.2071","","","","","","0.892","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219279","11.213","0.002","22.602","0.004","8.0287","0.0016","90","","98.034","0.004","90","","2014.8","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 S2 -","- C18 H20 Ag Cl N2 O4 S2 -","- C72 H80 Ag4 Cl4 N8 O16 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0487","0.0428","","","0.0999","0.1022","","","","","","1.199","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219280","7.7301","0.0006","9.3388","0.0005","14.2614","0.0008","102.835","0.005","102.369","0.006","95.408","0.006","969.57","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","1","0.5","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.035","0.0301","","","0.0638","0.067","","","","","","1.042","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219281","11.488","0.004","23.359","0.009","7.938","0.003","90","","95.257","0.006","90","","2121.2","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag F6 N2 P S2 -","- C18 H20 Ag F6 N2 P S2 -","- C72 H80 Ag4 F24 N8 P4 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0975","0.0804","","","0.1754","0.1833","","","","","","1.167","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219282","10.488","0.002","23.158","0.005","8.6272","0.0015","90","","102.906","0.004","90","","2042.4","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 Se2 -","- C18 H20 Ag Cl N2 O4 Se2 -","- C72 H80 Ag4 Cl4 N8 O16 Se8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0456","0.0279","","","0.0496","0.055","","","","","","1.038","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219283","8.51314","0.0001","22.6458","0.0003","22.5566","0.0003","90","","98.0482","0.0012","90","","4305.79","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C144 H160 Ag8 F48 N16 P8 Se16 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0491","0.0534","","","","","","0.671","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219284","11.3829","0.0015","9.306","0.0011","17.3055","0.0019","90","","99.181","0.008","90","","1809.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N O2 S -","- C20 H20 N O2 S -","- C80 H80 N4 O8 S4 -","4","1","","yu, haifeng; zhang, yongmei; li, tiechun; liao, peiqiu; diao, quanping; xin, guang; meng, qingling; hou, dongyan","Vilsmeier Cyclization of α-Acetyl-α-aroyl Ketene-N, S-Acetals: Direct and Efficient Synthesis of Halogenated Pyridin-2(1H)-ones","RSC Adv.","2015","","","","","10.1039/C4RA14626C","","","0.71073","MoKα","","0.1016","0.0757","","","0.208","0.2389","","","","","","1.06","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219285","14.778","0.003","6.9181","0.0014","17.853","0.004","90","","90","","90","","1825.2","0.7","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","0.5","","Nonn, Melinda; Kiss, Lorand; Hänninen, Mikko; Fulop, Ferenc","An insight into the synthesis of novel aryl-substituted alicyclic β-amino acid derivatives through substrate-directed palladium-catalysed regio- and stereoselective cross-coupling","RSC Adv.","2015","","","","","10.1039/C4RA16196C","","x-ray","0.71073","MoKα","","0.0676","0.0549","","","0.1389","0.1478","","","","","","1.075","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219286","7.7337","0.0005","10.1482","0.0007","11.8659","0.0008","84.846","0.002","71.451","0.002","77.611","0.002","862.1","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-methyl-amine","Br2-3-EDOT","","- C15 H15 Br2 N O4 S2 -","- C15 H15 Br2 N O4 S2 -","- C30 H30 Br4 N2 O8 S4 -","2","1","","Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili","Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C4RA14915G","","","0.71073","MoKα","","0.0573","0.0432","","","0.1149","0.1217","","","","","","1.01","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219287","23.3143","0.0014","23.3143","0.0014","8.1165","0.0005","90","","90","","90","","4411.8","0.5","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Butyl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine","I2-3-alkyl-EDOT","","- C18 H21 I2 N O4 S2 -","- C18 H21 I2 N O4 S2 -","- C144 H168 I16 N8 O32 S16 -","8","1","","Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili","Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C4RA14915G","","","0.71073","MoKα","","0.0344","0.0269","","","0.0644","0.068","","","","","","1.027","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219288","7.8257","0.0011","10.5383","0.0014","11.8883","0.0016","83.995","0.002","71.977","0.002","78.365","0.002","912.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-methyl-amine","I2-3-EDOT","","- C15 H15 I2 N O4 S2 -","- C15 H15 I2 N O4 S2 -","- C30 H30 I4 N2 O8 S4 -","2","1","","Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili","Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C4RA14915G","","","0.71073","MoKα","","0.0407","0.0356","","","0.086","0.0891","","","","","","1.047","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219289","17.5004","0.0007","7.2281","0.0003","19.8464","0.0008","90","","96.182","0.001","90","","2495.86","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)-bis-dimethylsilanyl-methane","I2-4-EDOT","","- C18 H24 I2 O4 S2 Si2 -","- C18 H24 I2 O4 S2 Si2 -","- C72 H96 I8 O16 S8 Si8 -","4","1","","Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili","Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C4RA14915G","","","0.71073","MoKα","","0.0317","0.0248","","","0.0577","0.0608","","","","","","1.048","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219290","11.973","0.00013","16.1952","0.0003","14.09653","0.00016","90","","93.4721","0.001","90","","2728.37","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl F2 N3 O2 -","- C31 H28 Cl F2 N3 O2 -","- C124 H112 Cl4 F8 N12 O8 -","4","1","","Girgis, AS; Panda, Siva S.; Shalaby, ElSayed Mohamed; Mabied, Ahmed F.; Steel, Peter; Hall, Charles Dennis; Katritzky, Alan R.","Regioselective synthesis and theoretical studies of an anti-neoplastic fluoro-substituted dispiro-oxindole†","RSC Adv.","2015","","","","","10.1039/C4RA13433H","","","1.54184","CuKα","","0.0431","0.0357","","","0.0897","0.0963","","","","","","1.046","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219291","17.624","0.004","13.658","0.003","14.035","0.003","90","","108.504","0.004","90","","3203.7","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 N4 -","- C42 H30 N4 -","- C168 H120 N16 -","4","0.5","","chen, wei; Zhang, Zhiyun; Li, Xin; Agren, Hans; Su, Jian-Hua","Highly sensitive detection of low-level water contents in organic solvents and cyanide in aqueous media using novel solvatochromic AIEE fluorophores","RSC Adv.","2015","","","","","10.1039/C4RA15199B","","","0.71073","MoKα","","0.0799","0.0643","","","0.1528","0.167","","","","","","1.032","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219292","10.0792","0.0007","13.0655","0.0009","13.5796","0.0009","90","","90","","90","","1788.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","1","0.25","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0417","0.0402","","","0.1076","0.1119","","","","","","1.074","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219293","13.7347","0.0015","10.1454","0.0011","13.1412","0.0014","90","","90","","90","","1831.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","1","0.125","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0815","0.0687","","","0.2379","0.2653","","","","","","1.166","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219294","13.778","0.003","10.235","0.002","13.238","0.003","90","","90","","90","","1866.8","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H26 Br Cl3 Mn N2 -","- C12 H26 Br Cl3 Mn N2 -","- C48 H104 Br4 Cl12 Mn4 N8 -","4","0.5","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0642","0.051","","","0.1677","0.1835","","","","","","1.49","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219295","10.1863","0.0008","13.1566","0.0011","13.6378","0.0011","90","","90","","90","","1827.7","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br Cl3 Mn N2 -","- C12 H26 Br Cl3 Mn N2 -","- C48 H104 Br4 Cl12 Mn4 N8 -","4","1","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.033","0.0314","","","0.1068","0.1118","","","","","","0.985","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219296","10.61","0.0005","11.804","0.0005","20.698","0.0005","90","","102.821","0.005","90","","2527.6","0.18","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H15 Co2 N15 O44.5 Si W12 -","- C10 H15 Co2 N15 O44.5 Si W12 -","- C20 H30 Co4 N30 O89 Si2 W24 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0891","0.0481","","","0.0927","0.1058","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219297","13.088","0.0005","13.764","0.0005","15.963","0.0005","99.833","0.005","99.52","0.005","101.798","0.005","2713.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1062","0.0574","","","0.1156","0.1401","","","","","","1.003","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219298","11.551","0.0005","12.13","0.0005","14.286","0.0005","94.156","0.005","105.714","0.005","106.035","0.005","1828.27","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 Ge N24 O55 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1178","0.0685","","","0.1697","0.2041","","","","","","1.034","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219299","11.535","0.0005","12.091","0.0005","14.313","0.0005","94.051","0.005","105.611","0.005","105.77","0.005","1827.83","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 N24 O55 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0904","0.0688","","","0.1701","0.1862","","","","","","1.029","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219300","19.144","0.0005","23.388","0.0005","22.86","0.0005","90","","102.838","0.005","90","","9979.5","0.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H118 Co11 K2 N42 Na2 O169 P4 W36 -","- C28 H38 Co11 K2 N42 Na2 O152 P4 W36 -","- C56 H76 Co22 K4 N84 Na4 O304 P8 W72 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0955","0.0681","","","0.1558","0.17","","","","","","1.071","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219301","24.871","0.0002","14.2534","0.0001","20.828","0.0002","90","","125.026","0.003","90","","6046.2","0.2","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H49 Cu6 N18 O54 P S W9 -","- C12 H13 Cu6 N18 O40.9998 P S W9 -","- C48 H52 Cu24 N72 O163.999 P4 S4 W36 -","4","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71073","MoKα","","0.0835","0.0536","","","0.143","0.1649","","","","","","1.064","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219302","17.034","0.006","18.233","0.006","12.983","0.004","90","","94.444","0.006","90","","4020","2","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 O2 Ti -","- C44 H58 N2 O2 Ti -","- C176 H232 N8 O8 Ti4 -","4","1","","Gao, Bo; Duan, Qian; Li, Yanhui; Li, Dongni; Zhang, Liqiu; Cui, Yuan; Hu, Ning-Hai; Pang, Xuan","Stereoselective Ring-Opening Polymerization of rac-Lactides Catalyzed by Titanium Complexes Containing N, N-Bidentate Phenanthrene Derivatives","RSC Adv.","2015","","","","","10.1039/C4RA15822A","","","0.71073","MoKα","","0.1721","0.0805","","","0.1755","0.2158","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219303","11.781","0.004","8.473","0.003","24.554","0.009","90","","91.214","0.006","90","","2450.4","1.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N5 -","- C14 H11 N5 -","- C112 H88 N40 -","8","1","","Li, chen; Ge, Haixia; Yin, Bing; She, Mengyao; Liu, Ping; Li, Xiangdong; Li, Jianli","Novel 3,6-Unsymmetrically Disubstituted-1,2,4,5-Tetrazines: S-Induced One-Pot Synthesis, Properties and Theoretical Study","RSC Adv.","2015","","","","","10.1039/C4RA10808F","","","0.71073","MoKα","","0.0714","0.0466","","","0.129","0.1507","","","","","","1","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219304","25.875","0.004","25.875","0.004","25.597","0.004","90","","90","","120","","14842","4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C29 H29 Cl2 N3 O Ru S -","- C29 H29 Cl2 N3 O Ru S -","- C522 H522 Cl36 N54 O18 Ru18 S18 -","18","1","","Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong","Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand","RSC Adv.","2015","5","14","10521","","10.1039/C4RA09168J","","","0.71073","MoKα","","0.0767","0.045","","","0.0905","0.0987","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219305","8.2692","0.0003","11.1553","0.0004","14.9524","0.0006","72.155","0.001","81.81","0.001","83.298","0.001","1295.63","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Cl F6 N3 P Pt -","- C27 H23 Cl F6 N3 P Pt -","- C54 H46 Cl2 F12 N6 P2 Pt2 -","2","1","","Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong","Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand","RSC Adv.","2015","5","14","10521","","10.1039/C4RA09168J","","","0.71073","MoKα","","0.0292","0.0257","","","0.0656","0.0676","","","","","","1.033","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219306","20.6261","0.0008","14.7505","0.0006","8.7896","0.0003","90","","90","","90","","2674.19","0.18","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H25 Cl2 Cu N3 O -","- C27 H23 Cl2 Cu N3 O -","- C108 H92 Cl8 Cu4 N12 O4 -","4","1","","Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong","Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand","RSC Adv.","2015","5","14","10521","","10.1039/C4RA09168J","","","0.71073","MoKα","","0.0426","0.0392","","","0.1405","0.1438","","","","","","1.171","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219307","26.859","0.005","10.5583","0.0019","15.311","0.003","90","","119.508","0.002","90","","3778.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate THF solvate","","","- C49 H42 N2 O7 -","- C49 H42 N2 O7 -","- C196 H168 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0761","0.049","","","0.1066","0.122","","","","","","1.029","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219308","26.804","0.004","10.6999","0.0016","15.194","0.002","90","","119.868","0.002","90","","3778.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate 1,4-dioxane solvate","","","- C49 H42 N2 O8 -","- C49 H42 N2 O8 -","- C196 H168 N8 O32 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0891","0.0507","","","0.1062","0.1229","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219309","27.277","0.01","10.398","0.004","15.424","0.006","90","","119.02","0.004","90","","3825","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-phenylpyridinium pamoate DMSO solvate","","- C47 H34 N2 O7 S -","- C47 H34 N2 O7 S -","- C188 H136 N8 O28 S4 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.082","0.054","","","0.1454","0.1643","","","","","","1.025","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219310","27.121","0.006","10.418","0.002","15.424","0.003","90","","118.915","0.003","90","","3814.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate acetone solvate","","","- C48 H40 N2 O7 -","- C48 H40 N2 O7 -","- C192 H160 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.1206","0.0571","","","0.111","0.1381","","","","","","0.987","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219311","27.355","0.007","10.464","0.003","15.401","0.004","90","","119.512","0.003","90","","3836.4","1.8","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate DMF solvate","","","- C47.65 H40.17 N2.88 O7 -","- C47.645 H40.174 N2.881 O7 -","- C190.58 H160.696 N11.524 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0927","0.0667","","","0.1588","0.1716","","","","","","1.061","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219312","7.7618","0.0007","17.3278","0.0016","18.8269","0.0017","90","","99.867","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0652","0.0433","","","0.0994","0.1114","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219313","11.0358","0.0019","13.172","0.002","17.721","0.003","90","","101.056","0.002","90","","2528.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0584","0.0429","","","0.101","0.1098","","","","","","1.052","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219315","9.651","0.001","15.7906","0.0012","12.8901","0.0011","90","","92.055","0.009","90","","1963.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cu N4 O11 -","- C34 H46 Cu N4 O8 -","- C68 H92 Cu2 N8 O16 -","2","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71073","MoKα","","0.1786","0.1154","","","0.2231","0.2404","","","","","","1.186","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219316","7.0051","0.0003","7.0051","0.0003","5.4758","0.0002","90","","90","","120","","232.706","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0269","0.0269","","","0.0724","0.0724","","","","","","0.668","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219317","7.0045","0.0003","7.0045","0.0003","5.4789","0.0003","90","","90","","120","","232.797","0.019","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0184","0.0181","","","0.0522","0.0526","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219318","7.0047","0.0002","7.0047","0.0002","5.4772","0.0003","90","","90","","120","","232.739","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.077","0.077","","","0.2202","0.2202","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219319","7.0055","0.0003","7.0055","0.0003","5.4774","0.0002","90","","90","","120","","232.8","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0547","0.055","","","","","","1.146","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219321","13.1356","0.0007","13.2969","0.0007","14.4976","0.0007","108.632","0.005","92.585","0.004","97.24","0.004","2370.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0853","0.068","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219322","11.3945","0.0005","14.8843","0.0008","15.869","0.0007","64.69","0.005","89.747","0.004","89.661","0.004","2433","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H76 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0796","0.0527","","","0.0953","0.1066","","","","","","1.108","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219324","18.211","0.003","5.1283","0.001","13.915","0.003","90","","96.803","0.002","90","","1290.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu2 N2 O8 -","- C12 H8 Cu2 N2 O8 -","- C48 H32 Cu8 N8 O32 -","4","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0391","0.0296","","","0.0724","0.0777","","","","","","1.022","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219325","6.2937","0.0016","6.8393","0.0017","9.545","0.004","99.689","0.004","90.764","0.004","116.946","0.003","359.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","1","0.5","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0405","0.0338","","","0.0813","0.0849","","","","","","1.073","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219326","12.1868","0.0013","12.4222","0.0013","15.4307","0.0016","77.399","0.001","88.583","0.001","85.884","0.001","2273.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N6 O21 -","- C38 H48 Cu2 N6 O21 -","- C76 H96 Cu4 N12 O42 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0559","0.0395","","","0.0981","0.1078","","","","","","1.03","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219327","4.785","0.007","9.33","0.014","14.53","0.02","89.807","0.016","81.067","0.016","77.496","0.016","625.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N2 O8 -","- C12 H10 Cu N2 O8 -","- C24 H20 Cu2 N4 O16 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0324","0.0282","","","0.075","0.0777","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219328","16.0589","0.0013","13.638","0.0009","18.3496","0.0013","90","","95.258","0.004","90","","4001.9","0.5","100","2","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Br3 Cl N2 O2 -","- C13 H28 Br3 Cl N2 O2 -","- C104 H224 Br24 Cl8 N16 O16 -","8","2","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","0.71073","MoKα","","0.1065","0.0674","","","0.1598","0.175","","","","","","1.093","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219329","33.76","0.03","8.427","0.006","14.421","0.011","90","","90","","90","","4103","6","100","2","99.92","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H28 Br3 F I N -","- C13 H28 Br3 F I N -","- C104 H224 Br24 F8 I8 N8 -","8","2","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","0.71073","MoKα","","0.0343","0.0283","","","0.0578","0.0596","","","","","","1.047","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219330","8.5118","0.0003","18.3083","0.0007","13.3813","0.0005","90","","97.315","0.002","90","","2068.32","0.13","100","2","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br3 I N2 -","- C14 H28 Br3 I N2 -","- C56 H112 Br12 I4 N8 -","4","1","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","1.54178","CuKα","","0.0256","0.0239","","","0.0611","0.0621","","","","","","1.031","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219331","11.9187","0.0017","9.8408","0.0015","24.353","0.004","90","","102.942","0.006","90","","2783.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N5 O -","- C33 H33 N5 O -","- C132 H132 N20 O4 -","4","1","","Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula","An enzymatic route to a benzocarbazole framework using bacterial CotA laccase","Green Chem.","2015","17","3","1429","","10.1039/C4GC02511C","","","0.71073","MoKα","","0.1543","0.0646","","","0.1185","0.1455","","","","","","0.889","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219332","10.632","0.002","13.862","0.003","19.498","0.004","90","","99.98","0.03","90","","2830.1","1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H62 Cu2 Er2 N4 O42 -","- C32 H49 Cu2 Er2 N4 O42 -","- C64 H98 Cu4 Er4 N8 O84 -","2","0.5","","Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi","Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA13533D","","","0.71073","MoKα","","0.0409","0.0344","","","0.0784","0.0833","","","","","","1.039","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219333","13.945","0.003","30.633","0.006","20.585","0.004","90","","98.79","0.03","90","","8690","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cu3 Eu2 N6 O40 -","- C42 H48 Cu3 Eu2 N6 O40 -","- C168 H192 Cu12 Eu8 N24 O160 -","4","1","","Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi","Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA13533D","","","0.71073","MoKα","","0.0482","0.0402","","","0.1055","0.1096","","","","","","1.068","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219334","13.958","0.003","30.682","0.006","20.529","0.004","90","","98.82","0.03","90","","8688","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H344 Cu12 Gd8 N24 O232 -","- C168 H268 Cu12 Gd8 N24 O232 -","- C168 H268 Cu12 Gd8 N24 O232 -","1","0.25","","Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi","Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA13533D","","","0.71073","MoKα","","0.0606","0.0528","","","0.1422","0.1489","","","","","","1.069","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219335","10.792","0.002","13.889","0.003","19.739","0.004","90","","100.91","0.03","90","","2905.2","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H124 Cu4 Ho4 N8 O84 -","- C64 H124 Cu4 Ho4 N8 O84 -","- C64 H124 Cu4 Ho4 N8 O84 -","1","0.25","","Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi","Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA13533D","","","0.71073","MoKα","","0.0668","0.0594","","","0.1673","0.171","","","","","","1.07","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219336","13.934","0.003","30.722","0.006","20.494","0.004","90","","98.71","0.03","90","","8672","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H180 Cu6 N12 O113 Tb4 -","- C94 H127 Cu6 N12 O113 Tb4 -","- C188 H254 Cu12 N24 O226 Tb8 -","2","0.5","","Liu, Xuan-Wen; Guo, Rui; Liu, He; Yu, Ye-Qi; Qi, Wei Xi; Xu, Jing-Yuan; Xie, Cheng-Zhi","Two series of novel 3D potentially porous heterometallic Cu‒Ln coordination frameworks assembled by 3,4-Pyridinedicarboxylic acid with different topologies and channels: syntheses, structures, luminescence and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA13533D","","","0.71073","MoKα","","0.067","0.0612","","","0.163","0.1675","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219337","9.9709","0.0008","10.8286","0.0007","16.093","0.0015","99.983","0.003","98.899","0.003","109.619","0.002","1568.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl3 F2 O6 P W -","- C32 H20 Cl3 F2 O6 P W -","- C64 H40 Cl6 F4 O12 P2 W2 -","2","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0354","0.026","","","0.0524","0.0563","","","","","","1.058","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219338","10.6618","0.0003","16.0963","0.0004","16.5683","0.0005","76.9465","0.0016","87.9808","0.0016","86.8159","0.0016","2764.87","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H18 F3 O6 P W -","- C31 H18 F3 O6 P W -","- C124 H72 F12 O24 P4 W4 -","4","2","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0482","0.0362","","","0.0852","0.0898","","","","","","1.005","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219339","36.0465","0.001","9.5603","0.0003","16.5305","0.0004","90","","93.8297","0.0017","90","","5683.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 F5 O6 P W -","- C31 H16 F5 O6 P W -","- C248 H128 F40 O48 P8 W8 -","8","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0581","0.0378","","","0.0857","0.0931","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219344","17.707","0.0002","14.7731","0.0002","37.6605","0.0004","90","","101.434","0.001","90","","9656","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H212 N2 O54 P4 S8 -","- C176 H158 N2 O53.9998 P4 S8 -","- C352 H316 N4 O108 P8 S16 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions","CrystEngComm","2015","17","7","1526","","10.1039/C4CE02086C","","","1.54178","CuKα","","0.1338","0.1197","","","0.2734","0.2808","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219345","6.7039","0.0002","14.9481","0.0004","9.6177","0.0002","90","","98.9365","0.0018","90","","952.1","0.04","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C32 H32 O32 -","8","2","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.04","0.035","","0.0865","0.077","0.0851","","","","","","1.0572","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219347","13.1493","0.0004","16.19","0.0005","19.3364","0.0006","66.7678","0.001","70.8605","0.0009","87.8194","0.0009","3553.78","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H70 Cl Ir2 N8 O19 Pb -","- C77 H70 Cl Ir2 N8 O19 Pb -","- C154 H140 Cl2 Ir4 N16 O38 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0971","0.0672","","","0.1801","0.2108","","","","","","1.062","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219348","29.4296","0.0007","8.7352","0.0002","30.6568","0.0007","90","","99.2586","0.0007","90","","7778.4","0.3","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C296 H284 Cl2 Ir8 N40 O74 Pb4 -","2","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0539","0.0429","","","0.1263","0.1368","","","","","","1.092","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219349","13.0965","0.0002","16.9698","0.0003","19.3066","0.0003","67.1073","0.0009","71.2175","0.001","88.2966","0.001","3719.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H73 Ir2 N9 O15 Pb -","- C79 H73 Ir2 N9 O15 Pb -","- C158 H146 Ir4 N18 O30 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0891","0.0478","","","0.1181","0.135","","","","","","1.02","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219350","8.7126","0.0002","18.2978","0.0004","22.6191","0.0005","87.0367","0.0009","83.5709","0.0009","79.003","0.001","3515.79","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H122 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","1","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0849","0.0449","","","0.0925","0.1119","","","","","","1.056","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219351","16.3302","0.0004","20.2955","0.0005","25.5819","0.0007","90","","107.383","0.001","90","","8091.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18.75 H17 Cu N6 O3.75 S -","- C18.75 H17 Cu N6 O3.75 S -","- C300 H272 Cu16 N96 O60 S16 -","16","4","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.1005","0.0566","","","0.1733","0.2377","","","","","","0.888","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219352","8.073","0.002","9.391","0.003","13.924","0.004","71.441","0.015","85.42","0.015","75.557","0.016","969.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Cu N6 O3 S -","- C19 H16 Cu N6 O3 S -","- C38 H32 Cu2 N12 O6 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.1888","0.0675","","","0.1853","0.3256","","","","","","1.24","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219353","5.9763","0.0005","11.6828","0.001","14.3427","0.0008","85.97","0.006","83.926","0.006","82.198","0.007","984.98","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cu N6 O3 S -","- C21 H16 Cu N6 O3 S -","- C42 H32 Cu2 N12 O6 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.0527","0.0381","","","0.0896","0.0984","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219354","8.1557","0.0018","11.023","0.003","14.092","0.003","104.4","0.013","93.284","0.013","99.663","0.014","1203.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu N6 O6 S -","- C20 H18 Cu N6 O6 S -","- C40 H36 Cu2 N12 O12 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.1598","0.0787","","","0.2088","0.2624","","","","","","0.959","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219355","7.9073","0.0004","11.5507","0.0006","14.2629","0.0008","104.034","0.005","104.217","0.005","100.871","0.005","1181.69","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Compound 6","","- C22 H18 Cu N6 O3 S -","- C22 H18 Cu N6 O3 S -","- C44 H36 Cu2 N12 O6 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","x-ray","1.54184","CuKα","","0.0591","0.0505","","","0.1328","0.1422","","","","","","1.085","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219356","7.8808","0.0006","10.9146","0.0009","14.086","0.0009","99.182","0.003","94.515","0.003","102.572","0.003","1159.29","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu N6 O3 S -","- C24 H18 Cu N6 O3 S -","- C48 H36 Cu2 N12 O6 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.045","0.0338","","","0.0911","0.0986","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219357","7.7532","0.0006","12.0716","0.0009","14.2178","0.0009","103.32","0.004","99.041","0.004","105.263","0.004","1215.14","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu N6 O3 S -","- C26 H18 Cu N6 O3 S -","- C52 H36 Cu2 N12 O6 S2 -","2","1","","Lobana, Tarlok Singh; Indoria, Shikha Indoria; Kaur, Harpreet; Arora, Daljit; Jassal, Amanpreet K.; Jasinski, Jerry P.","Synthesis and structures of 5-Nitro-salicylaldehyde thiosemicarbazonates of Copper(II) : molecular spectroscopy, ESI-mass, antimicrobial activity and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA15006F","","","0.71073","MoKα","","0.0591","0.0417","","","0.0993","0.1087","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219358","7.221","0.0001","9.5214","0.0002","12.2908","0.0002","74.277","0.001","84.604","0.001","68.143","0.001","754.93","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cl2 N2 O2 Re -","- C16 H11 Cl2 N2 O2 Re -","- C32 H22 Cl4 N4 O4 Re2 -","2","1","","Sarkar, Rupa; Hens, Amar; Rajak, Kajal Krishna","Synthesis, Characterization and DFT Study of Oxorhenium(V) Complexes Incorporating Quinoline Based Tridentate Ligands","RSC Adv.","2015","","","","","10.1039/C4RA15135F","","","0.71073","MoKα","","0.0455","0.0322","","","0.053","0.0565","","","","","","1","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219359","7.7819","0.0012","10.0431","0.0017","10.0631","0.0015","99.637","0.005","96.381","0.005","99.61","0.005","756.6","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N4 O S -","- C17 H14 N4 O S -","- C34 H28 N8 O2 S2 -","2","1","","Ren, Yu-Jia; Wang, Zhong-Chang; Zhang, Xin; Qiu, Han-Yue; Wang, Peng-Fei; Jiang, Ai-Qin; Zhu, Hai-Liang","EGFR/HER-2 Inhibitors： Synthesis, Biological Evaluation, 3D − QSAR Analysis of Dihydropyridin Containing Thiazolinone Derivatives","RSC Adv.","2015","","","","","10.1039/C4RA10606G","","","0.71073","MoKα","","0.0686","0.0444","","","0.1041","0.1142","","","","","","1.042","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7219360","6.887","0.0017","10.112","0.003","22.292","0.006","92.269","0.005","94.582","0.004","90.228","0.004","1546.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H25 Cr Cu Mo6 N4 O27 -","- C14 H15 Cr Cu Mo6 N4 O27 -","- C28 H30 Cr2 Cu2 Mo12 N8 O54 -","2","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Two novel Anderson-type polyoxometalate-based metal-organic complexes with high-efficiency photocatalysis towards degradation of organic dyes under UV and visible light irradiation","RSC Adv.","2015","","","","","10.1039/C4RA15608K","","","0.71069","MoKα","","0.1059","0.0822","","","0.2254","0.2422","","","","","","1.063","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219361","21.687","0.0013","22.241","0.0014","12.63","0.0008","90","","120.755","0.001","90","","5235.2","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H45 Cr Cu2 Mo6 N8 O32 -","- C30 H32 Cr Cu2 Mo6 N8 O32 -","- C120 H128 Cr4 Cu8 Mo24 N32 O128 -","4","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Two novel Anderson-type polyoxometalate-based metal-organic complexes with high-efficiency photocatalysis towards degradation of organic dyes under UV and visible light irradiation","RSC Adv.","2015","","","","","10.1039/C4RA15608K","","","0.71069","MoKα","","0.028","0.0224","","","0.0561","0.0576","","","","","","1.039","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219362","8.0072","0.0003","10.1043","0.0004","13.211","0.0005","100.264","0.002","90.006","0.002","93.327","0.003","1049.93","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(2-(4-fluorobenzyl)-6-p-tolylpyrimidin-4-yl)-2H-chromen-2-one","","- C27 H19 F N2 O2 -","- C27 H19 F N2 O2 -","- C54 H38 F2 N4 O4 -","2","1","","Hosamani, Kallappa. M.; Reddy, Dinesh S.; Devarajegowda, Hirihalli. C.","Microwave-assisted synthesis of new fluorinated coumarin‒pyrimidine hybrids as potent anticancer agents, their DNA cleavage and X-ray crystal studies","RSC Adv.","2015","5","15","11261","","10.1039/C4RA12222D","","","0.71073","MoKα","","0.0593","0.047","","","0.1375","0.1472","","","","","","1.07","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219363","8.133","0.0002","10.2945","0.0002","12.7544","0.0003","101.192","0.001","90.344","0.001","95.499","0.001","1042.4","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(2-(4-fluorobenzyl)-6-(4-methoxyphenyl)pyrimidin-4-yl)-2H-chromen-2-one","","- C27 H19 F N2 O3 -","- C27 H19 F N2 O3 -","- C54 H38 F2 N4 O6 -","2","1","","Hosamani, Kallappa. M.; Reddy, Dinesh S.; Devarajegowda, Hirihalli. C.","Microwave-assisted synthesis of new fluorinated coumarin‒pyrimidine hybrids as potent anticancer agents, their DNA cleavage and X-ray crystal studies","RSC Adv.","2015","5","15","11261","","10.1039/C4RA12222D","","","0.71073","MoKα","","0.0469","0.0382","","","0.1056","0.1119","","","","","","1.078","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219364","8.011","0.005","6.852","0.005","14.033","0.005","90","0.005","103.777","0.005","90","0.005","748.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C30 H34 Cu2 N10 O2 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik","Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors","RSC Adv.","2015","","","","","10.1039/C4RA17334A","","","0.71073","MoKα","","0.0883","0.0759","","","0.188","0.2097","","","","","","1.08","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219365","8.0058","0.0003","6.8434","0.0002","14.0474","0.0005","90","","103.658","0.002","90","","747.85","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C30 H34 Cu2 N10 O2 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik","Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors","RSC Adv.","2015","","","","","10.1039/C4RA17334A","","","0.71073","MoKα","","0.0366","0.0309","","","0.0623","0.0642","","","","","","1.015","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219366","15.062","0.003","8.1555","0.0015","15.606","0.003","90","","104.717","0.004","90","","1854.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 I O4 -","- C20 H21 I O4 -","- C80 H84 I4 O16 -","4","1","","Geary, Gemma C.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Preparation of iodonium ylides: Probing the fluorination of 1,3-dicarbonyl compounds with a fluoroiodane","RSC Adv.","2015","","","","","10.1039/C4RA15733H","","","0.71073","MoKα","","0.0841","0.0497","","","0.0763","0.0841","","","","","","0.869","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219367","18.8935","0.0013","23.9302","0.0016","33.589","0.002","90","","91.5063","0.0012","90","","15181.2","1.7","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H86.5 Cl4.5 N6 O11.5 S4 -","- C68.5 H84.5 Cl1.5 N6 O11.5 S4 -","- C548 H676 Cl12 N48 O92 S32 -","8","2","","Tomiyasu, Hirotsugu; Zhao, Jiang-Lin; Ni, Xin-Long; zeng, xi; Elsegood, Mark Robert James; Jones, Beth; Redshaw, Carl; Teat, Simon; Yamato, Takehiko","Positive and negative allosteric effects of thiacalix[4]arene-based receptors having urea and crown‒ether moieties","RSC Adv.","2015","","","","","10.1039/C4RA15905E","","","0.71073","MoKα","","0.0908","0.0564","","","0.1578","0.1732","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219368","17.798","0.001","26.787","0.0016","32.552","0.002","90","","96.384","0.004","90","","15423.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H87.5 Cl1.5 N11 O15 S4 -","- C68.5 H81.5 Cl1.5 N9 O15 S4 -","- C548 H652 Cl12 N72 O120 S32 -","8","2","","Tomiyasu, Hirotsugu; Zhao, Jiang-Lin; Ni, Xin-Long; zeng, xi; Elsegood, Mark Robert James; Jones, Beth; Redshaw, Carl; Teat, Simon; Yamato, Takehiko","Positive and negative allosteric effects of thiacalix[4]arene-based receptors having urea and crown‒ether moieties","RSC Adv.","2015","","","","","10.1039/C4RA15905E","","","0.7749","synchrotron","","0.1114","0.0863","","","0.265","0.2937","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219369","18.764","0.004","12.137","0.002","21.618","0.004","90","","106.27","0.03","90","","4726.1","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cl2 N4 Pd -","- C48 H42 Cl2 N4 Pd -","- C192 H168 Cl8 N16 Pd4 -","4","1","","Zhao, Tong; Xing, Qifeng; Song, Kuifeng; Ban, Qing; Liang, Tongling; Liu, Qingbin; Sun, Wen Hua","Enhancing catalytic activity towards Heck-reaction by using 4,5,9,10-tetra(arylimino)pyrenylidenyldipalladium tetrachlorides","RSC Adv.","2015","","","","","10.1039/C4RA16193A","","","0.71073","MoKα","","0.1265","0.1","","","0.2662","0.2883","","","","","","1.072","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219370","14.249","0.003","12.729","0.003","27.486","0.006","90","","90.5","0.03","90","","4985.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Cl4 N4 Pd2 -","- C48 H42 Cl4 N4 Pd2 -","- C192 H168 Cl16 N16 Pd8 -","4","1","","Zhao, Tong; Xing, Qifeng; Song, Kuifeng; Ban, Qing; Liang, Tongling; Liu, Qingbin; Sun, Wen Hua","Enhancing catalytic activity towards Heck-reaction by using 4,5,9,10-tetra(arylimino)pyrenylidenyldipalladium tetrachlorides","RSC Adv.","2015","","","","","10.1039/C4RA16193A","","","0.71073","MoKα","","","0.08","","","0.2385","0.253","","","","","","1.14","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219371","14.458","0.003","12.382","0.003","30.667","0.006","90","","90.15","0.03","90","","5490","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl4 N4 Pd2 -","- C52 H50 Cl4 N4 Pd2 -","- C208 H200 Cl16 N16 Pd8 -","4","1","","Zhao, Tong; Xing, Qifeng; Song, Kuifeng; Ban, Qing; Liang, Tongling; Liu, Qingbin; Sun, Wen Hua","Enhancing catalytic activity towards Heck-reaction by using 4,5,9,10-tetra(arylimino)pyrenylidenyldipalladium tetrachlorides","RSC Adv.","2015","","","","","10.1039/C4RA16193A","","","0.71073","MoKα","","","0.0548","","","0.1499","0.1534","","","","","","1.04","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219372","19.637","0.002","9.4274","0.001","5.7239","0.0005","90","","93.912","0.003","90","","1057.17","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K2 N2 O6 -","- C20 H24 K2 N2 O6 -","- C40 H48 K4 N4 O12 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1078","0.051","","","0.0923","0.1115","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219373","6.0077","0.0009","16.128","0.003","9.1598","0.0017","90","","104.63","0.005","90","","858.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1174","0.0595","","","0.1259","0.1533","","","","","","0.997","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219374","17.666","0.007","24.302","0.006","6.013","0.0012","90","","100.76","0.04","90","","2536.1","1.3","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H56 N6 O12 Zn3 -","- C46 H56 N6 O12 Zn3 -","- C92 H112 N12 O24 Zn6 -","2","0.25","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.7109","Synchrotron","","0.0778","0.0639","","","0.1661","0.1758","","","","","","1","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219375","11.99","0.003","18.125","0.004","12.239","0.003","90","","105.173","0.004","90","","2567","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O9 Zn2 -","- C24 H17 N6 O9 Zn2 -","- C96 H68 N24 O36 Zn8 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0656","0.0591","","","0.1593","0.1685","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219376","34.838","0.009","13.738","0.003","25.355","0.006","90","","90.058","0.004","90","","12135","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cd2 N17 O14 -","- C47 H49 Cd2 N17 O14 -","- C376 H392 Cd16 N136 O112 -","8","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0926","0.0769","","","0.2052","0.2191","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219377","21.139","0.004","13.704","0.002","21.81","0.004","90","","107.006","0.003","90","","6041.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 N18 O16 -","- C50 H56 Cd2 N18 O16 -","- C200 H224 Cd8 N72 O64 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0919","0.0804","","","0.2084","0.2204","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219378","11.328","0.004","24.951","0.007","13.624","0.005","90","","114.073","0.004","90","","3516","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cd N8 O7 -","- C33 H32 Cd N8 O7 -","- C132 H128 Cd4 N32 O28 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0796","0.0573","","","0.1418","0.1606","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219380","21.067","0.004","12.873","0.003","22.808","0.005","90","","115.18","0.03","90","","5598","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H80 Fe O2 P4 -","- C59 H80 Fe O2 P4 -","- C236 H320 Fe4 O8 P16 -","4","1","","huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian","Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions","RSC Adv.","2015","","","","","10.1039/C5RA00072F","","","0.71073","MoKα","","0.1325","0.0569","","","0.1318","0.1701","","","","","","0.962","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219381","12.4365","0.0016","13.4615","0.0019","19.727","0.003","94.511","0.003","104.832","0.002","91.585","0.003","3178.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H79 Co O2 P4 -","- C59 H79 Co O2 P4 -","- C118 H158 Co2 O4 P8 -","2","1","","huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian","Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions","RSC Adv.","2015","","","","","10.1039/C5RA00072F","","","0.71073","MoKα","","0.0951","0.0535","","","0.1306","0.1445","","","","","","0.852","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219382","16.196","0.003","12.997","0.003","30.608","0.006","90","","97.19","0.03","90","","6392","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 Fe I O2 P3 -","- C56 H70 Fe I O2 P3 -","- C224 H280 Fe4 I4 O8 P12 -","4","1","","huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian","Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions","RSC Adv.","2015","","","","","10.1039/C5RA00072F","","","0.71073","MoKα","","0.1927","0.0847","","","0.2272","0.3013","","","","","","0.981","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219383","14.26","0.0005","14.5978","0.0006","15.3049","0.0007","96.364","0.003","92.785","0.003","118.212","0.003","2771.6","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H80 Ni O2 P4 -","- C59 H80 Ni O2 P4 -","- C118 H160 Ni2 O4 P8 -","2","1","","huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian","Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions","RSC Adv.","2015","","","","","10.1039/C5RA00072F","","","0.71073","MoKα","","0.0918","0.0442","","","0.0734","0.0845","","","","","","0.939","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219384","12.4581","0.0009","15.303","0.0009","29.2263","0.0016","90","","90","","90","","5571.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-[Iridium(carbonyl){cis-1,3-Bis-((di-tert-butylphosphino)methyl)}-cyclohexane]","","- C25 H49 Ir O P2 -","- C25 H49 Ir O P2 -","- C200 H392 Ir8 O8 P16 -","8","1","","Jonasson, Klara J.; Polukeev, Alexey; Wendt, Ola","PC(sp3)P Pincer Carbonyl Complexes of Iridium(I) and Iridium(III)","RSC Adv.","2015","","","","","10.1039/C4RA15562A","","","0.71073","MoKα","","0.084","0.052","","","0.1048","0.1167","","","","","","1.224","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219385","12.377","0.0002","15.3452","0.0002","28.8663","0.0004","90","","90","","90","","5482.51","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trans-[Iridium(hydrido)(carbonyl)Chloro{cis-1,3-Bis-((di-tert-butylphosphino)methyl)}-cyclohexane]","","- C25 H50 Cl Ir O P2 -","- C25 H49 Cl Ir O P2 -","- C200 H392 Cl8 Ir8 O8 P16 -","8","1","","Jonasson, Klara J.; Polukeev, Alexey; Wendt, Ola","PC(sp3)P Pincer Carbonyl Complexes of Iridium(I) and Iridium(III)","RSC Adv.","2015","","","","","10.1039/C4RA15562A","","","0.71073","MoKα","","0.0683","0.0389","","","0.107","0.1221","","","","","","1.124","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219386","12.5453","0.0002","15.2101","0.0003","15.5649","0.0003","90","","93.996","0.002","90","","2962.8","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-[Iridium(hydrido)(carbonyl)Chloro{cis-1,3-Bis-((di-tert-butylphosphino)methyl)}-cyclohexane]","","- C25 H49 Cl Ir O P2 -","- C25 H49 Cl Ir O P2 -","- C100 H196 Cl4 Ir4 O4 P8 -","4","1","","Jonasson, Klara J.; Polukeev, Alexey; Wendt, Ola","PC(sp3)P Pincer Carbonyl Complexes of Iridium(I) and Iridium(III)","RSC Adv.","2015","","","","","10.1039/C4RA15562A","","","0.71073","MoKα","","0.0414","0.0332","","","0.0952","0.103","","","","","","1.425","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219387","14.092","0.002","18.273","0.003","16.325","0.003","90","","92.766","0.003","90","","4198.8","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N6 O11 Zn2 -","- C40 H34 N6 O11 Zn2 -","- C160 H136 N24 O44 Zn8 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Syntheses, Structures, Topologies, and Luminescence Properties of Four Coordination Polymers Based on Bifunctional 6-(4-pyridyl)-terephthalic Acid and Bis(imidazole) Bridging Linkers","RSC Adv.","2015","","","","","10.1039/C4RA13501F","","","0.71073","MoKα","","0.0824","0.0647","","","0.1989","0.2218","","","","","","0.999","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219388","24.35","0.007","13.403","0.004","14.137","0.004","90","","123.397","0.004","90","","3851.9","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cu2 N6 O11 -","- C40 H34 Cu2 N6 O11 -","- C160 H136 Cu8 N24 O44 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Syntheses, Structures, Topologies, and Luminescence Properties of Four Coordination Polymers Based on Bifunctional 6-(4-pyridyl)-terephthalic Acid and Bis(imidazole) Bridging Linkers","RSC Adv.","2015","","","","","10.1039/C4RA13501F","","","0.71073","MoKα","","0.0543","0.039","","","0.0974","0.107","","","","","","0.999","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219389","15.0742","0.0011","19.777","0.0014","21.3225","0.0015","90","","105.113","0.001","90","","6136.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Co2 N10 O11 -","- C66 H56 Co2 N10 O11 -","- C264 H224 Co8 N40 O44 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Syntheses, Structures, Topologies, and Luminescence Properties of Four Coordination Polymers Based on Bifunctional 6-(4-pyridyl)-terephthalic Acid and Bis(imidazole) Bridging Linkers","RSC Adv.","2015","","","","","10.1039/C4RA13501F","","","0.71073","MoKα","","0.0783","0.0582","","","0.1576","0.178","","","","","","1.004","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219390","11.979","0.002","18.789","0.004","18.662","0.005","90","","96.494","0.002","90","","4173.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cd N3 O6 -","- C20 H18 Cd N3 O6 -","- C160 H144 Cd8 N24 O48 -","8","1","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Syntheses, Structures, Topologies, and Luminescence Properties of Four Coordination Polymers Based on Bifunctional 6-(4-pyridyl)-terephthalic Acid and Bis(imidazole) Bridging Linkers","RSC Adv.","2015","","","","","10.1039/C4RA13501F","","","0.71073","MoKα","","0.033","0.0305","","","0.1121","0.1156","","","","","","1","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219391","23.89","0.0003","13.3719","0.0001","23.1855","0.0003","90","","101.232","0.001","90","","7264.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl N12 Ni2 O24 Ta -","- C66 H60 Cl N12 Ni2 O24 Ta -","- C264 H240 Cl4 N48 Ni8 O96 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0517","0.05","","","0.1406","0.1419","","","","","","1.094","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219393","9.2921","0.0003","12.8702","0.0003","18.9812","0.0005","84.66","0.002","75.969","0.002","85.056","0.002","2187.94","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 Ni2 O14 -","- C44 H34 N10 Ni2 O14 -","- C88 H68 N20 Ni4 O28 -","2","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0509","0.0432","","","0.1218","0.1352","","","","","","1.059","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219394","10.6299","0.0004","11.4199","0.0004","14.0961","0.0005","101.184","0.0017","104.928","0.0017","94.4","0.0018","1607.46","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Fe N6 O6 -","- C36 H36 Fe N6 O6 -","- C72 H72 Fe2 N12 O12 -","2","1","","Ponniah S, Joseph; Barik, Subrat Kumar; Borthakur, Rosmita; Thakur, Arunabha; Garai, Bikash; Jana, Sourita; Ghosh, Sundargopal","Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and selective chemosensor for Zn(II) ion in water","RSC Adv.","2015","","","","","10.1039/C4RA13877E","","","0.71073","MoKα","","0.0645","0.0408","","","0.0818","0.0912","","","","","","1.026","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219395","14.9238","0.0015","19.006","0.0016","7.3188","0.0007","90","","99.414","0.011","90","","2048","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Fe N3 O4 -","- C22 H23 Fe N3 O4 -","- C88 H92 Fe4 N12 O16 -","4","1","","Ponniah S, Joseph; Barik, Subrat Kumar; Borthakur, Rosmita; Thakur, Arunabha; Garai, Bikash; Jana, Sourita; Ghosh, Sundargopal","Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and selective chemosensor for Zn(II) ion in water","RSC Adv.","2015","","","","","10.1039/C4RA13877E","","","0.71073","MoKα","","0.0343","0.0299","","","0.0768","0.0792","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219396","19.2174","0.0014","6.8155","0.0004","20.0755","0.0017","90","","101.338","0.008","90","","2578.1","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N2 S -","- C27 H36 N2 S -","- C108 H144 N8 S4 -","4","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.083202","0.06264","","","","0.178639","","","","","","1.06447","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219397","19.1643","0.0005","7.15496","0.00017","20.1107","0.0008","90","","106.852","0.004","90","","2639.16","0.15","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N2 Te -","- C27 H36 N2 Te -","- C108 H144 N8 Te4 -","4","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.044398","0.035393","","","","0.095047","","","","","","1.04016","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219398","9.6999","0.0003","14.6885","0.0005","23.758","0.0007","90","","93.507","0.003","90","","3378.63","0.18","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Bi Cl6 N2 S -","- C28 H37 Bi Cl6 N2 S -","- C112 H148 Bi4 Cl24 N8 S4 -","4","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.082781","0.072701","","","","0.242118","","","","","","1.02301","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219399","10.0168","0.0004","12.5839","0.0006","15.6771","0.0007","73.883","0.004","76.522","0.004","74.563","0.004","1802.71","0.15","156","9","156","9","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 Bi Br3 Cl3 N2 S -","- C28 H37 Bi Br3 Cl3 N2 S -","- C56 H74 Bi2 Br6 Cl6 N4 S2 -","2","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.060451","0.059308","","","","0.16359","","","","","","1.02933","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219400","10.75451","0.00016","16.0772","0.0002","19.7995","0.0004","90","","104.683","0.0016","90","","3311.58","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Bi Cl5 N2 Se -","- C28 H38 Bi Cl5 N2 Se -","- C112 H152 Bi4 Cl20 N8 Se4 -","4","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.041741","0.038398","","","","0.106819","","","","","","1.04093","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219401","10.7722","0.0002","16.3835","0.0003","20.0651","0.0004","90","","103.228","0.002","90","","3447.26","0.12","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Bi Br3 Cl2 N2 Se -","- C28 H38 Bi Br3 Cl2 N2 Se -","- C112 H152 Bi4 Br12 Cl8 N8 Se4 -","4","1","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.05927","0.055031","","","","0.156362","","","","","","1.03352","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219402","8.3877","0.0014","7.4849","0.0014","13.728","0.002","90","","98.462","0.015","90","","852.5","0.2","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","4a","","- C19 H20 N2 Se -","- C19 H20 N2 Se -","- C38 H40 N4 Se2 -","2","0.5","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.061601","0.045226","","","","0.146383","","","","","","1.0363","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219403","12.2653","0.0008","17.199","0.0009","15.557","0.0007","90","","99.117","0.005","90","","3240.3","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Bi2 Cl18 N4 S2 -","- C46 H52 Bi2 Cl18 N4 S2 -","- C92 H104 Bi4 Cl36 N8 S4 -","2","0.5","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.136857","0.119004","","","","0.321768","","","","","","1.0456","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219404","9.961","0.0005","13.3493","0.0006","14.3207","0.0007","111.257","0.005","103.339","0.004","97.547","0.004","1677.59","0.16","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 Bi2 Br6 Cl12 N4 S2 -","- C46 H50 Bi2 Br6 Cl12 N4 S2 -","- C46 H50 Bi2 Br6 Cl12 N4 S2 -","1","0.5","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.061477","0.060488","","","","0.165699","","","","","","1.0313","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219405","15.9721","0.0006","10.8271","0.0004","18.3916","0.0006","90","","97.51","0.003","90","","3153.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Bi2 Cl14 N4 Se2 -","- C46 H56 Bi2 Cl14 N4 Se2 -","- C92 H112 Bi4 Cl28 N8 Se4 -","2","0.5","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.06347","0.053101","","","","0.161189","","","","","","1.0407","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219406","9.5278","0.0002","16.1998","0.0004","16.2869","0.0004","90","","98.199","0.002","90","","2488.16","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Bi2 Br6 N4 Se2 -","- C42 H48 Bi2 Br6 N4 Se2 -","- C84 H96 Bi4 Br12 N8 Se4 -","2","0.5","","Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar","Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers","RSC Adv.","2015","","","","","10.1039/C4RA17144F","","","1.5418","CuKα","","0.0406","0.0358","","","0.0951","0.1005","","","","","","1.048","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219407","7.3985","0.0005","7.516","0.0005","13.5827","0.0009","100.737","0.001","93.491","0.001","103.171","0.001","718.32","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.052","0.0437","","","0.1327","0.1384","","","","","","1.074","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219408","8.0716","0.0009","9.9236","0.0012","11.1322","0.0013","65.872","0.001","80.149","0.002","74.023","0.002","780.6","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.0645","0.0575","","","0.1665","0.1754","","","","","","1.089","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219409","7.811","0.002","12.55","0.004","16.146","0.005","94.579","0.005","91.539","0.004","98.774","0.005","1558","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N8 O4 -","- C33 H34 N8 O4 -","- C66 H68 N16 O8 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.097","0.0645","","","0.1692","0.1986","","","","","","0.903","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219410","5.4934","0.0017","8.7114","0.0015","19.501","0.005","78.91","0.02","85.39","0.03","84.046","0.017","909.1","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C1C12triaz]Br","","","- C15 H30 Br N3 -","- C15 H30 Br N3 -","- C30 H60 Br2 N6 -","2","1","","Mudring, Anja-Verena; Stappert, Kathrin","Triazolium Based Ionic Liquid Crystals: Effect of Asymmetric Substitution","RSC Adv.","2015","","","","","10.1039/C4RA14961K","","","0.71073","MoKα","","0.0483","0.0341","","","0.0763","0.0797","","","","","","0.901","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219411","5.4919","0.0009","8.7562","0.0016","23.694","0.005","85.92","0.02","88.18","0.02","82.52","0.02","1126.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[C12C5triaz] Br","","","- C19 H38 Br N3 -","- C19 H38 Br N3 -","- C38 H76 Br2 N6 -","2","1","","Mudring, Anja-Verena; Stappert, Kathrin","Triazolium Based Ionic Liquid Crystals: Effect of Asymmetric Substitution","RSC Adv.","2015","","","","","10.1039/C4RA14961K","","","0.71073","MoKα","","0.2448","0.1845","","","0.4586","0.484","","","","","","1.474","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219412","4.916","0.005","8.38","0.009","35.58","0.04","86.97","0.03","87.29","0.03","75.07","0.03","1413","3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C12C12triaz] Br","1-dodecyl-3-dodecyltriazolium bromide","","- C26 H52 Br N3 -","- C26 H52 Br N3 -","- C52 H104 Br2 N6 -","2","1","","Mudring, Anja-Verena; Stappert, Kathrin","Triazolium Based Ionic Liquid Crystals: Effect of Asymmetric Substitution","RSC Adv.","2015","","","","","10.1039/C4RA14961K","","","0.71073","MoKα","","0.137","0.0705","","","0.14","0.2102","","","","","","1.008","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219413","10.038","0.005","10.049","0.006","10.118","0.006","106.967","0.008","101.48","0.009","91.502","0.008","952.8","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- H36 Mo6 Nd2 O44 V2 -","- Mo6 Nd2 O44 V2 -","- Mo6 Nd2 O44 V2 -","1","0.5","","Fei, Fei; An, Haiyan; Meng, Changgong; Wang, Lin; Wang, Huilong","Lanthanide-supported molybdenum‒vanadium oxide clusters: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16237D","","","0.71073","MoKα","","0.0917","0.0568","","","0.1454","0.1661","","","","","","1.028","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219414","10.0173","0.0003","10.0913","0.0003","19.6748","0.0007","77.372","0.002","82.719","0.002","78.668","0.002","1895.62","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ce2 H36 Mo6 O44 V2 -","- Ce2 Mo6 O44 V2 -","- Ce4 Mo12 O88 V4 -","2","1","","Fei, Fei; An, Haiyan; Meng, Changgong; Wang, Lin; Wang, Huilong","Lanthanide-supported molybdenum‒vanadium oxide clusters: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16237D","","","0.71073","MoKα","","0.0549","0.0373","","","0.0937","0.1087","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219415","10.0427","0.0004","10.1151","0.0004","19.7105","0.0008","77.558","0.002","82.638","0.002","78.65","0.002","1909.29","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H36 La2 Mo6 O44 V2 -","- La2 Mo6 O44 V2 -","- La4 Mo12 O88 V4 -","2","1","","Fei, Fei; An, Haiyan; Meng, Changgong; Wang, Lin; Wang, Huilong","Lanthanide-supported molybdenum‒vanadium oxide clusters: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16237D","","","0.71073","MoKα","","0.0362","0.0287","","","0.0687","0.0745","","","","","","1.044","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219416","26.0536","0.0019","14.9913","0.0011","8.1639","0.0006","90","","107.153","0.002","90","","3046.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.75 H16 N2 O4.75 Zn -","- C14 H13 N2 O4 Zn -","- C112 H104 N16 O32 Zn8 -","8","1","","Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng","Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16441E","","","0.71073","MoKα","","0.0698","0.0464","","","0.1117","0.1204","","","","","","1.07","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219417","8.2156","0.001","19.161","0.002","13.7259","0.0018","90","","103.651","0.004","90","","2099.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O4 Zn -","- C24 H20 N4 O4 Zn -","- C96 H80 N16 O16 Zn4 -","4","1","","Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng","Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16441E","","","0.71073","MoKα","","0.0507","0.0421","","","0.1103","0.1162","","","","","","1.048","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219418","26.7024","0.0017","14.8976","0.001","8.0841","0.0005","90","","106.816","0.002","90","","3078.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 N4 O8 Zn2 -","- C31 H32 N4 O8 Zn2 -","- C124 H128 N16 O32 Zn8 -","4","0.5","","Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng","Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16441E","","","0.71073","MoKα","","0.0551","0.0386","","","0.0772","0.0833","","","","","","1.065","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219419","10.8145","0.0015","13.5094","0.0019","16.68","0.002","102.93","0.004","93.543","0.004","102.85","0.004","2299.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N6 O12 Zn2 -","- C52 H42 N6 O12 Zn2 -","- C104 H84 N12 O24 Zn4 -","2","1","","Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng","Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16441E","","","0.71073","MoKα","","0.1028","0.0508","","","0.1062","0.1261","","","","","","1","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219420","10.0987","0.0006","11.3461","0.0005","18.6487","0.001","90","","103.791","0.002","90","","2075.18","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I2 N3 O2 Zn -","- C22 H15 I2 N3 O2 Zn -","- C88 H60 I8 N12 O8 Zn4 -","4","1","","Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng","Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties","RSC Adv.","2015","","","","","10.1039/C4RA16441E","","","0.71073","MoKα","","0.0367","0.0326","","","0.0956","0.0985","","","","","","1.092","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219421","12.8051","0.0005","12.8767","0.0005","15.6983","0.0006","66.206","0.002","88.78","0.002","81.531","0.002","2340.53","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 F4 N8 O6 S2 -","- C52 H38 F4 N8 O6 S2 -","- C104 H76 F8 N16 O12 S4 -","2","1","","Paramasivan Thirumalai, Perumal; K, Parthasarathy; C, Praveen; P, Senthil Kumar; C, Balachandran","Cu(OTf)2 catalyzed three component strategy for the synthesis of thienopyridine containing spirooxindoles and their cytotoxic evaluation","RSC Adv.","2015","","","","","10.1039/C4RA16605A","","","0.71073","MoKα","","0.0977","0.0628","","","0.1751","0.2157","","","","","","1.349","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219422","10.9653","0.0009","12.3019","0.001","14.4805","0.0011","95.63","0.004","92.362","0.004","113.716","0.004","1772.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Co F12 N4 O3 P2 -","- C32 H29 Co F12 N4 O2.43 P2 -","- C64 H58 Co2 F24 N8 O4.86 P4 -","2","1","","Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya","Remarkable visible light-triggered cytotoxicity of mitochondria targeting mixed-ligand cobalt(III) complexes of curcumin and phenanthroline bases binding to human serum albumin","RSC Adv.","2015","","","","","10.1039/C4RA17314G","","","0.71073","MoKα","","0.0805","0.0701","","","0.2094","0.2205","","","","","","1.071","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219423","12.736","0.005","15.757","0.005","17.209","0.005","90","0.005","95.701","0.005","90","0.005","3436","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 Cl2 Co N8 O10 -","- C33 H23 Cl2 Co N8 O11 -","- C132 H92 Cl8 Co4 N32 O44 -","4","1","","Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya","Remarkable visible light-triggered cytotoxicity of mitochondria targeting mixed-ligand cobalt(III) complexes of curcumin and phenanthroline bases binding to human serum albumin","RSC Adv.","2015","","","","","10.1039/C4RA17314G","","","0.71073","MoKα","","0.1336","0.0746","","","0.2245","0.2549","","","","","","1.055","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219424","10.0321","0.0012","10.1496","0.0012","15.7844","0.0019","100.504","0.001","94.365","0.001","117.014","0.001","1384.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate)","2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgPic (silver picrate)","","- C22 H28 Ag N9 O7 S2 -","- C22 H28 Ag N9 O7 S2 -","- C44 H56 Ag2 N18 O14 S4 -","2","1","","Podyachev, Sergey Nicolaevich; Masliy, Alexey Nicolaevich; Semenov, Vyacheslav Engelsovich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Voronina, Julia Konstantinovna; Ivanov, Vladimir Timofeevich; Kuznetsov, Andrey Mikhailovich; Gogolashvili, Edward Lavrentievich; Reznik, Vladimir Savich; Konovalov, Alexander Ivanovich","Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts","RSC Adv.","2015","","","","","10.1039/C4RA14070B","","","0.71073","MoKα","","0.0391","0.0334","","","0.0832","0.0864","","","","","","1","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219425","8.1119","0.0015","9.9709","0.0019","15.157","0.003","96.068","0.004","90.565","0.005","99.987","0.005","1200.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3","complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3","","- C16 H26 Ag N7 O3 S2 -","- C16 H26 Ag N7 O3 S2 -","- C32 H52 Ag2 N14 O6 S4 -","2","1","","Podyachev, Sergey Nicolaevich; Masliy, Alexey Nicolaevich; Semenov, Vyacheslav Engelsovich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Voronina, Julia Konstantinovna; Ivanov, Vladimir Timofeevich; Kuznetsov, Andrey Mikhailovich; Gogolashvili, Edward Lavrentievich; Reznik, Vladimir Savich; Konovalov, Alexander Ivanovich","Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts","RSC Adv.","2015","","","","","10.1039/C4RA14070B","","","0.71073","MoKα","","0.1197","0.0868","","","0.2524","0.3054","","","","","","1.072","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219426","10.094","0.003","20.188","0.006","12.319","0.004","90","","99.246","0.003","90","","2477.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3","dimer complex of 2-thiomethyl-4-dimethylamino-6-methylpyrimidine with AgNO3","","- C16 H26 Ag2 N8 O6 S2 -","- C16 H26 Ag2 N8 O6 S2 -","- C64 H104 Ag8 N32 O24 S8 -","4","1","","Podyachev, Sergey Nicolaevich; Masliy, Alexey Nicolaevich; Semenov, Vyacheslav Engelsovich; Syakaev, Victor Vasil'evich; Sudakova, Svetlana; Voronina, Julia Konstantinovna; Ivanov, Vladimir Timofeevich; Kuznetsov, Andrey Mikhailovich; Gogolashvili, Edward Lavrentievich; Reznik, Vladimir Savich; Konovalov, Alexander Ivanovich","Silver mediated duplex-type complexes of pyrimidinophanes and their acyclic counterparts","RSC Adv.","2015","","","","","10.1039/C4RA14070B","","","0.71073","MoKα","","0.0372","0.0321","","","0.087","0.0904","","","","","","0.987","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219429","5.2593","0.0014","13.1","0.04","4.7408","0.001","90","","94.32","0.03","90","","325.7","1","293","2","293","2","","","6200000","50000","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1544","0.1358","","","0.4099","0.4384","","","","","","2.091","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219431","9.671","0.002","16.721","0.003","9.76","0.002","90","","94.855","0.004","90","","1572.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Coordination polymer","","","- C14 H14 Cu N4 O4 S -","- C14 H14 Cu N4 O4 S -","- C56 H56 Cu4 N16 O16 S4 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.0854","0.0535","","","0.1265","0.1625","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219432","9.927","0.005","9.945","0.005","11.752","0.005","94.242","0.005","104.517","0.005","98.603","0.005","1103","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","coordination polymer","","","- C24 H18 Cu N4 O4 S -","- C24 H18 Cu N4 O4 S -","- C48 H36 Cu2 N8 O8 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71069","MoKα","","0.0856","0.0574","","","0.1414","0.1978","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219433","10.07","0.005","10.681","0.006","18.871","0.012","85.22","0.02","74.62","0.02","71.56","0.02","1856.5","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Coordination Polymer","","","- C38 H28 Cu2 N4 O8 S -","- C38 H28 Cu2 N4 O8 S -","- C76 H56 Cu4 N8 O16 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71075","MoKα","","0.1053","0.0948","","","0.1834","0.1894","","","","","","1.187","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219434","16.724","0.003","15.975","0.003","18.456","0.004","90","","91.46","0.03","90","","4929.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination Polymer","","","- C48 H44 Cu2 N8 O13 S2 -","- C48 H36 Cu2 N8 O9 S2 -","- C192 H144 Cu8 N32 O36 S8 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.1611","0.0734","","","0.1926","0.228","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219435","7.2652","0.0006","8.0985","0.0007","35.69","0.003","90","","90","","90","","2099.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O S2 -","- C25 H22 N2 O S2 -","- C100 H88 N8 O4 S8 -","4","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.0427","0.0393","","","0.1115","0.1139","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219436","10.8322","0.0015","11.8007","0.0016","18.99","0.003","75.86","0.002","73.658","0.002","83.633","0.002","2256.5","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H41 F4 Ir N4 O3 S2 -","- C49 H41 F4 Ir N4 O3 S2 -","- C98 H82 F8 Ir2 N8 O6 S4 -","2","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.048","0.0391","","","0.1054","0.1151","","","","","","1.084","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219437","11.8712","0.0006","12.7429","0.0006","15.5387","0.0008","98.555","0.001","102.678","0.001","111.645","0.001","2062.05","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H41 Ir N4 O2 S2 -","- C48 H41 Ir N4 O2 S2 -","- C96 H82 Ir2 N8 O4 S4 -","2","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.0738","0.0477","","","0.0741","0.0813","","","","","","1.008","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219438","28.9962","0.0009","28.9962","0.0009","32.8782","0.0016","90","","90","","120","","23939.8","1.6","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H32 N10 Ni2 O3 -","- C16 H26 N10 Ni2 -","- C576 H936 N360 Ni72 -","36","1","","Jiang, Xiang; Tao, Bo; Yu, Li Xiao; Wang, Hong Yun; Xia, Hua","Syntheses, crystal structures and properties of three cyano-bridged one-dimensional coordination polymers based on macrocyclic metallic tectons","RSC Adv.","2015","","","","","10.1039/C4RA16545D","","","0.71073","MoKα","","0.0913","0.0516","","","0.1305","0.1429","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219439","9.812","0.002","13.179","0.003","20.122","0.004","90","","102.78","0.03","90","","2537.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N11 Ni2 O -","- C20 H33 N11 Ni2 O -","- C80 H132 N44 Ni8 O4 -","4","1","","Jiang, Xiang; Tao, Bo; Yu, Li Xiao; Wang, Hong Yun; Xia, Hua","Syntheses, crystal structures and properties of three cyano-bridged one-dimensional coordination polymers based on macrocyclic metallic tectons","RSC Adv.","2015","","","","","10.1039/C4RA16545D","","","0.71073","MoKα","","0.084","0.0721","","","0.1849","0.1978","","","","","","1.17","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219440","8.6927","0.0017","9.6891","0.0019","14.739","0.003","100.47","0.03","93.41","0.03","110.83","0.03","1130.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N10 Ni2 O3 -","- C16 H26 N10 Ni2 O3 -","- C32 H52 N20 Ni4 O6 -","2","1","","Jiang, Xiang; Tao, Bo; Yu, Li Xiao; Wang, Hong Yun; Xia, Hua","Syntheses, crystal structures and properties of three cyano-bridged one-dimensional coordination polymers based on macrocyclic metallic tectons","RSC Adv.","2015","","","","","10.1039/C4RA16545D","","","0.71073","MoKα","","0.0788","0.0462","","","0.0987","0.1246","","","","","","1.094","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219441","12.223","0.002","12.935","0.003","31.349","0.006","89.49","0.03","80.03","0.03","75.48","0.03","4722.6","1.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H38 Dy F18 N5 O10 -","- C37.5 H38 Dy F18 N5 O10 -","- C150 H152 Dy4 F72 N20 O40 -","4","2","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.1217","0.1037","","","0.238","0.248","","","","","","1.144","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219442","12.261","0.003","12.857","0.003","31.381","0.006","89.34","0.03","80.44","0.03","75.18","0.03","4713","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.5 H38 F18 N5 O10 Tb -","- C37.5 H38 F18 N5 O10 Tb -","- C150 H152 F72 N20 O40 Tb4 -","4","2","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.1146","0.0725","","","0.1593","0.1779","","","","","","1.047","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219443","12.3461","0.0017","12.9126","0.0018","31.521","0.004","89.12","0.003","80.018","0.003","75.287","0.003","4784.6","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 F36 N10 Nd2 O20 -","- C75 H76 F36 N10 Nd2 O20 -","- C150 H152 F72 N20 Nd4 O40 -","2","1","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.078","0.0627","","","0.1343","0.1428","","","","","","1.073","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219444","12.2813","0.0015","12.8859","0.0016","31.337","0.004","89.214","0.002","80.045","0.002","75.205","0.002","4720.2","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 F36 N10 O20 Sm2 -","- C75 H76 F36 N10 O20 Sm2 -","- C150 H152 F72 N20 O40 Sm4 -","2","1","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.0803","0.0636","","","0.1321","0.1398","","","","","","1.111","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219445","12.2289","0.0018","13.0026","0.0019","31.399","0.005","91.003","0.004","101.201","0.003","104.313","0.003","4734.3","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H69 Cl F36 Gd2 N10 O20 -","- C72 H69 Cl F36 Gd2 N10 O20 -","- C144 H138 Cl2 F72 Gd4 N20 O40 -","2","1","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.1039","0.0924","","","0.1943","0.1991","","","","","","1.238","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219446","12.3277","0.0012","12.8508","0.0012","31.587","0.003","88.786","0.002","80.416","0.002","75.27","0.002","4770.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H68 F36 N10 O20 Pr2 -","- C71.5 H68 F36 N10 O20 Pr2 -","- C143 H136 F72 N20 O40 Pr4 -","2","1","","Tian, Li; Zhou, Shang Yong; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A series of heterospin complexes based on lanthanides and pyridine biradicals: synthesis, structure and magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA15074K","","","0.71073","MoKα","","0.11","0.0978","","","0.2692","0.2829","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219447","23.984","0.005","13.122","0.003","11.917","0.002","90","","90","","90","","3750.5","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H34 Cd2 N12 O6 -","- C34 H34 Cd2 N12 O6 -","- C136 H136 Cd8 N48 O24 -","4","0.5","","Wang, Dongmei; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Luminescent MOF Material based on Cadmium(II) and Mixed Ligands: Application for Sensing Volatile Organic Solvent Molecules","RSC Adv.","2015","","","","","10.1039/C4RA16599C","","","0.71073","MoKα","","0.064","0.0401","","","0.0844","0.0919","","","","","","1.041","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219448","20.4475","0.0013","14.4995","0.001","13.927","0.0009","90","","106.072","0.002","90","","3967.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O3 -","- C28.5714 H23.4286 N1.71429 O3.42857 -","- C200 H164 N12 O24 -","7","0.875","","Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil","Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions","RSC Adv.","2015","","","","","10.1039/C5RA01060H","","","0.71073","MoKα","","0.0761","0.0438","","","0.1043","0.1182","","","","","","1.034","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219449","13.5527","0.0018","8.744","0.0012","14.7881","0.0019","90","","104.612","0.004","90","","1695.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil","Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions","RSC Adv.","2015","","","","","10.1039/C5RA01060H","","","0.71073","MoKα","","0.0881","0.0719","","","0.2021","0.2143","","","","","","0.975","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219450","9.8359","0.0007","9.899","0.0007","11.8318","0.0008","98.474","0.002","91.399","0.002","112.007","0.002","1052.42","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C48 H42 N2 O8 S2 -","2","1","","Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil","Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions","RSC Adv.","2015","","","","","10.1039/C5RA01060H","","","0.71073","MoKα","","0.09","0.0783","","","0.23","0.2455","","","","","","1.051","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219451","9.142","0.013","10.31","0.015","10.859","0.016","87.61","0.03","86.88","0.03","66.51","0.02","937","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H15 N O6 -","- C44 H30 N2 O12 -","2","1","","Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil","Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions","RSC Adv.","2015","","","","","10.1039/C5RA01060H","","","0.71073","MoKα","","0.277","0.0888","","","0.2224","0.2803","","","","","","0.867","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219452","6.1935","0.0009","19.541","0.003","16.698","0.003","90","","94.763","0.003","90","","2013.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 O6 -","- C52 H40 O6 -","- C104 H80 O12 -","2","0.5","","Pramanik, Animesh; Pathak, Sudipta; Das, Doyel; Kundu, Ashis; Maity, Subhendu; Guchhait, Nikhil","Synthesis of 4-Hydroxyindole Fused Isocoumarin Derivatives and Their Fluorescence “Turn-Off” Sensing Cu(II) Ions","RSC Adv.","2015","","","","","10.1039/C5RA01060H","","","0.71073","MoKα","","0.2186","0.1286","","","0.2204","0.2502","","","","","","1.129","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219453","17.916","0.013","11.364","0.008","14.414","0.011","90","","90","","90","","2935","4","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","wcz1","","","- C47 H74 N20 O25 -","- C47 H51 N20 O14 -","- C94 H102 N40 O28 -","2","0.25","","Tao, Zhu; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang","A supramolecular assembly of methyl-substituted cucurbit[5]uril and its potential applications in selective absorption","RSC Adv.","2015","","","","","10.1039/C4RA16602G","","","0.71073","MoKα","","0.16","0.1102","","","0.3452","0.3736","","","","","","1.222","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219454","3.8127","0.0005","17.606","0.002","9.6396","0.0014","90","","99.086","0.014","90","","638.95","0.15","100.05","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-4-methylene-4H-1,2,6-thiadiazine","","- C4 H2 Cl2 N2 S -","- C4 H2 Cl2 N2 S -","- C16 H8 Cl8 N8 S4 -","4","1","","Theodorou, Eleni; Ioannidou, Heraklidia A.; Ioannou, Theodosia A.; Kalogirou, Andreas S.; Constantinides, Christos P.; Manoli, Maria; Koutentis, Panayiotis Andreas; Hayes, Sophia Charalambous","Spectroscopic characterization of C-4 substituted 3,5 dichloro-4H-1,2,6-thiadiazines","RSC Adv.","2015","","","","","10.1039/C4RA16144K","","","1.54184","CuKα","","0.0552","0.0474","","","0.1362","0.1434","","","","","","1.089","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219455","9.6655","0.0019","11.002","0.002","15.304","0.003","108.95","0.03","95.14","0.03","109.32","0.03","1416.7","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H28 O22 U2 -","- C16 H10 O13 U2 -","- C32 H20 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0775","0.0521","","","0.1405","0.1778","","","","","","1.108","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219456","10.663","0.002","11.09","0.002","14.718","0.003","106.88","0.03","95.76","0.03","112.99","0.03","1487.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N3 O18 U2 -","- C22 H26 N3 O18 U2 -","- C44 H52 N6 O36 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0461","0.0379","","","0.0934","0.0988","","","","","","1.073","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219457","9.6416","0.0019","10.973","0.002","15.997","0.003","109.52","0.03","91.56","0.03","109.61","0.03","1484","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 O13 U2 -","- C22 H28 N3 O13 U2 -","- C44 H56 N6 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.1189","0.0761","","","0.1603","0.198","","","","","","1.023","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219458","19.703","0.004","9.5197","0.0019","20.127","0.004","90","","106.26","0.03","90","","3624.2","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 O31 U2 -","- C16 H10 O15 U2 -","- C64 H40 O60 U8 -","4","0.5","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0874","0.0576","","","0.1451","0.1917","","","","","","1.153","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219459","16.7454","0.0009","8.159","0.0005","20.5264","0.0011","90","","96.749","0.001","90","","2785","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Ag2 N4 O4 -","- C31 H26 Ag2 N4 O4 -","- C124 H104 Ag8 N16 O16 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0319","0.0265","","","0.0661","0.0701","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219460","10.931","0.002","11.727","0.002","11.928","0.002","98.983","0.003","101.005","0.002","115.316","0.003","1307.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N5 O7 -","- C27 H25 Cd N5 O7 -","- C54 H50 Cd2 N10 O14 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.1119","0.0624","","","0.1268","0.1644","","","","","","0.974","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219461","9.5556","0.0004","12.1747","0.0002","12.9664","0.0003","84.089","0.002","89.206","0.003","88.552","0.002","1499.87","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br4 Cd N4 O5 -","- C27 H22 Br4 Cd N4 O5 -","- C54 H44 Br8 Cd2 N8 O10 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.062","0.0541","","","0.1431","0.1476","","","","","","1.127","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219462","9.3237","0.0004","11.4454","0.0005","13.6744","0.0006","66.862","0.004","78.859","0.003","85.704","0.004","1316.57","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O9 Zn2 -","- C29 H24 N4 O9 Zn2 -","- C58 H48 N8 O18 Zn4 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0327","0.026","","","0.0614","0.0645","","","","","","1.035","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219463","13.8342","0.0009","20.8728","0.0013","14.2205","0.0009","90","","112.779","0.001","90","","3786","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 N4 O8 Zn2 -","- C40 H33 N4 O7 Zn2 -","- C160 H132 N16 O28 Zn8 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0619","0.0387","","","0.0874","0.0943","","","","","","1.003","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219464","11.7886","0.0005","9.8051","0.0004","12.5957","0.0008","90","","93.596","0.005","90","","1453.05","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 Br4 N4 O5 Zn -","- C27 H22 Br4 N4 O5 Zn -","- C54 H44 Br8 N8 O10 Zn2 -","2","0.5","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0418","0.0321","","","0.0716","0.0771","","","","","","1.045","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219466","15.3327","0.0004","9.5934","0.0002","15.4363","0.0004","90","","97.199","0.002","90","","2252.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Be2 N2 O16 P4 -","- C12 H20 Be2 N2 O16 P4 -","- C48 H80 Be8 N8 O64 P16 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0902","0.0888","","","0.25","0.2515","","","","","","1.066","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219467","22.8218","0.0003","21.5546","0.0003","9.492","0.0001","90","","91.3","0.001","90","","4668.05","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Be2 N2 O16 P4 -","- C14 H21 Be2 N2 O16 P4 -","- C112 H168 Be16 N16 O128 P32 -","8","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.068","0.0631","","","0.1747","0.1812","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219469","4.8173","0.0003","12.0871","0.0007","12.6085","0.0009","62.332","0.007","79.518","0.005","84.052","0.005","639.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Be3 N O13 P3 -","- C5 H6 Be3 N O13 P3 -","- C10 H12 Be6 N2 O26 P6 -","2","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0804","0.0765","","","0.2028","0.2092","","","","","","1.076","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219470","10.42385","0.00017","10.42385","0.00017","21.7533","0.0002","90","","90","","120","","2046.97","0.05","295","","295","","","","","","","","","3","P 31","P 31","144","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","2","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","1.5418","CuKα","","","","","","","","","13.4694","4.3639","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219471","5.55795","0.00014","7.25941","0.00012","7.726","0.0002","84.431","0.002","71.913","0.003","80.163","0.002","291.642","0.013","295","","295","","","","","","","","","3","P -1","-P 1","2","pyrimidine-2-carboximidamide","pyrimidine-2-carboximidamide","","- C5 H6 N4 -","- C5 H6 N4 -","- C10 H12 N8 -","2","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","16.3048","93.25","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219475","10.0139","0.0007","11.6798","0.0009","17.7036","0.0013","82.36","0.001","87.038","0.001","69.44","0.001","1921.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Cl3 N4 O8 -","- C41 H39 Cl3 N4 O8 -","- C82 H78 Cl6 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0766","0.0479","","","0.1163","0.1347","","","","","","1.006","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219476","11.2616","0.0007","12.427","0.0008","15.9572","0.001","68.17","0.001","74.522","0.001","65.9","0.001","1874.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N4 O8 -","- C41 H40 Cl2 N4 O8 -","- C82 H80 Cl4 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0722","0.0566","","","0.1803","0.2031","","","","","","1.07","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219477","8.7063","0.001","11.0579","0.0013","20.271","0.002","99.383","0.002","98.246","0.002","95.472","0.002","1891.4","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O9 -","- C41 H42 N4 O9 -","- C82 H84 N8 O18 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0857","0.0632","","","0.19","0.2025","","","","","","1.096","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219478","9.9019","0.0012","14.5729","0.0018","27.372","0.003","94.424","0.002","97.048","0.002","100.801","0.002","3830.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O9.5 -","- C43 H44 N4 O9.5 -","- C172 H176 N16 O38 -","4","2","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0692","0.0547","","","0.1576","0.1771","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219479","13.3706","0.0017","24.587","0.003","13.486","0.0017","90","","117.75","0.002","90","","3923.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O9 -","- C42 H42 N4 O9 -","- C168 H168 N16 O36 -","4","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.1003","0.0668","","","0.1783","0.211","","","","","","1.017","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219480","8.3355","0.0007","10.7168","0.0009","19.0538","0.0018","90","","95.094","0.001","90","","1695.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N2 O10 Zn2 -","- C38 H24 N2 O10 Zn2 -","- C76 H48 N4 O20 Zn4 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0869","0.0425","","","0.0729","0.0846","","","","","","0.879","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219481","12.4477","0.001","11.2748","0.0007","13.6629","0.0016","90","","107.632","0.002","90","","1827.4","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 N2 Ni O14 -","- C38 H34 N2 Ni O14 -","- C76 H68 N4 Ni2 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.1014","0.0535","","","0.094","0.1207","","","","","","1.042","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219482","41.811","0.002","16.9262","0.0005","27.4218","0.0015","90","","119.425","0.007","90","","16903","1.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H46 Cl18 Dy N16 -","- C86 H46 Cl18 Dy N16 -","- C688 H368 Cl144 Dy8 N128 -","8","1","","Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong","Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands","RSC Adv.","2015","","","","","10.1039/C4RA15762A","","","1.54178","CuKα","","0.1019","0.0913","","","0.2508","0.2608","","","","","","1.037","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219483","12.7919","0.0003","13.067","0.0003","20.6488","0.0006","81.461","0.002","87.235","0.002","89.539","0.002","3409.25","0.15","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H47 Cl9 Dy N12 -","- C79 H47 Cl9 Dy N12 -","- C158 H94 Cl18 Dy2 N24 -","2","1","","Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong","Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands","RSC Adv.","2015","","","","","10.1039/C4RA15762A","","","0.71073","MoKα","","0.0695","0.0563","","","0.1398","0.1464","","","","","","1.041","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219484","35.7514","0.0008","19.3317","0.0003","27.1223","0.0003","90","","90","","90","","18745.2","0.6","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C272 H76 Dy N12 -","- C272 H76 Dy N12 -","- C1088 H304 Dy4 N48 -","4","0.5","","Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong","Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands","RSC Adv.","2015","","","","","10.1039/C4RA15762A","","","1.54178","CuKα","","0.1115","0.0943","","","0.2521","0.2736","","","","","","1.053","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219485","13.9718","0.0003","9.84","0.0002","11.9523","0.0003","90","","90","","90","","1643.23","0.06","150","2","150","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C8 H17 Cl4 N3 O4 Sn -","- C8 H17 Cl4 N3 O4 Sn -","- C32 H68 Cl16 N12 O16 Sn4 -","4","0.5","","Arjmand, Farukh; Yousuf, Imtiyaz; Zaidi, Yusra; Toupet, Loic","Crystal structure determination, spectroscopic characterization and biological profile of a tailored ionic molecular entity, Sn(iv) iminodiacetic acid‒piperazinediium conjugate: in vitro DNA/RNA binding studies, Topo I inhibition activity, cytotoxic and systemic toxicity studies","RSC Adv.","2015","5","21","16250","","10.1039/C4RA13718C","","","0.71073","MoKα","","0.0202","0.0188","","","0.0386","0.0388","","","","","","1","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219486","6.896","0.001","7.706","0.001","13.516","0.001","90","","96.435","0.005","90","","713.72","0.15","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.1585","0.0885","","","0.2198","0.2846","","","","","","1.197","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219487","7.5653","0.0002","10.7212","0.0004","16.523","0.0006","90","","90","","90","","1340.17","0.08","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0516","0.0425","","","0.1206","0.145","","","","","","1.216","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219488","7.3041","0.0002","11.6752","0.0003","15.6101","0.0004","90","","90","","90","","1331.18","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0503","0.0381","","","0.0854","0.0981","","","","","","0.961","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219489","8.064","0.001","11.542","0.001","14.904","0.001","90","","90","","90","","1387.2","0.2","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0363","0.0348","","","0.105","0.1067","","","","","","1.054","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219490","10.0614","0.0005","10.2208","0.0005","15.2649","0.0007","104.231","0.004","95.071","0.004","109.24","0.004","1411.79","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","(3aS*,5S*,10bS*)-5-(hydroxy(o-tolyl)amino)-10-tosyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","- C29 H26 Cl3 N3 O5 S -","- C29 H26 Cl3 N3 O5 S -","- C58 H52 Cl6 N6 O10 S2 -","2","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54178","CuKα","","0.0537","0.049","","","0.1265","0.1296","","","","","","1.05","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219491","10.5141","0.0008","17.9454","0.0011","11.0976","0.0008","90","","113.865","0.009","90","","1914.9","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aS*,10aS*,10bS*)-2-methyl-10-tosyl-4,10,10a,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C88 H80 N8 O16 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","0.71073","MoKα","","0.0525","0.0409","","","0.0943","0.1019","","","","","","1.04","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219492","7.907","0.0004","14.2862","0.0007","20.6839","0.001","90","","101.016","0.005","90","","2293.4","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3aS*,5S*,10bS*)-5-((S*)-hydroxy(perfluorophenyl)methyl)-N,N-dimethyl-1,3-dioxo-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-a]carbazole-10(2H)-sulfonamide","","- C24 H20 F5 N3 O5 S -","- C24 H20 F5 N3 O5 S -","- C96 H80 F20 N12 O20 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","0.71073","MoKα","","0.0864","0.0492","","","0.0954","0.1108","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219493","6.2586","0.0002","43.8481","0.0009","17.0987","0.0003","90","","93.143","0.002","90","","4685.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-phenyl-11-tosyl-11,11a-dihydro-1H,5H-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indole-1,3(2H)-dione","","- C25.5 H21 Cl N4 O4 S -","- C25.5 H21 Cl N4 O4 S -","- C204 H168 Cl8 N32 O32 S8 -","8","2","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54178","CuKα","","0.0702","0.056","","","0.144","0.1527","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219494","16.084","0.0002","8.84163","0.0001","18.0999","0.0002","90","","106.205","0.0014","90","","2471.69","0.05","150","","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl 3-((3aS*,4R*,10aS*,10bS*)-1,3-dioxo-10-tosyl-1,2,3,3a,4,10,10a,10b-octahydropyrrolo[3,4-a]carbazol-4-yl)propanoate","","- C26 H26 N2 O6 S -","- C26 H26 N2 O6 S -","- C104 H104 N8 O24 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54184","CuKα","","0.0392","0.0351","","","0.0896","0.0929","","","","","","1.031","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219495","13.1236","0.0003","20.8432","0.0005","12.0391","0.0002","90","","100.991","0.002","90","","3232.74","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-phenyl-11-tosyl-5,6-dihydro-[1,2,4]triazolo[1',2':1,2]pyridazino[3,4-b]indole-1,3(2H,11H)-dione","","- C33 H25 N7 O6 S -","- C33 H25 N7 O6 S -","- C132 H100 N28 O24 S4 -","4","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","","1.54184","CuKα","","0.0464","0.0357","","","0.0863","0.0927","","","","","","1.036","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219496","10.0627","0.0011","12.5064","0.0017","13.7858","0.0016","87.321","0.01","78.605","0.01","70.03","0.011","1598.1","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","(3aS*,5S*,10bS*)-5-((2,6-dibromophenyl)(hydroxy)amino)-N,N-dimethyl-1,3-dioxo-2-phenyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-a]carbazole-10(2H)-sulfonamide","","- C32 H34 Br2 N4 O6 S -","- C32 H34 Br2 N4 O6 S -","- C64 H68 Br4 N8 O12 S2 -","2","1","","Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy","RSC Adv.","2015","5","21","16125","","10.1039/C5RA00499C","","x-ray","0.71073","MoKα","","0.0755","0.0604","","","0.1457","0.1595","","","","","","1.037","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219498","11.7715","0.0005","13.0448","0.0007","16.0517","0.0006","90","","101.761","0.004","90","","2413.1","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N6 O7 Zn2 -","- C46 H32 Cl4 N6 O7 Zn2 -","- C92 H64 Cl8 N12 O14 Zn4 -","2","0.5","","Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior","CrystEngComm","2015","17","11","2353","","10.1039/C4CE02507E","","","1.54184","CuKα","","0.0658","0.0568","","","0.1688","0.1801","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219499","52.623","0.003","52.623","0.003","52.623","0.003","90","","90","","90","","145723","14","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C58 H45.33 N2 O36.17 Zn8 -","- C58 H21 N2 O36.1667 Zn8 -","- C2784 H1008 N96 O1736 Zn384 -","48","1","","Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming","Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages","CrystEngComm","2015","17","9","1923","","10.1039/C4CE02415J","","","0.71073","MoKα","","0.1423","0.086","","","0.2331","0.3012","","","","","","1.096","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219502","5.38","0.0002","20.4924","0.0011","6.4026","0.0003","90","","101.745","0.005","90","","691.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0387","0.03","","","0.064","0.0687","","","","","","1.048","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219504","10.4947","0.001","11.9","0.0011","16.836","0.002","76.943","0.01","81.326","0.01","68.873","0.009","1905","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C66 H132 N12 O24 -","6","3","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.1017","0.054","","","0.1059","0.1144","","","","","","0.905","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219505","16.646","0.006","18.345","0.007","16.309","0.006","90","","108.893","0.004","90","","4712","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N4 O20 Zn3 -","- C44 H42 N4 O20 Zn3 -","- C176 H168 N16 O80 Zn12 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0687","0.0473","","","0.1199","0.1342","","","","","","0.954","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219506","12.145","0.011","30.72","0.03","22.75","0.02","90","","94","0.012","90","","8467","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 O25 Zn5 -","- C52 H34 N2 O25 Zn5 -","- C208 H136 N8 O100 Zn20 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0792","0.0619","","","0.1885","0.2021","","","","","","0.934","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219507","9.144","0.0005","10.7523","0.0006","12.0332","0.0007","66.569","0.005","88.615","0.005","88.295","0.005","1084.96","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","indene","1-(2-Cyano-phenyl)-3-piperidine-1-yl-4,5-dihydro-1H-benz[e]indene-1,2-dicarbonitrile","","- C27 H22 N4 -","- C27 H22 N4 -","- C54 H44 N8 -","2","1","","Pratap, Ramendra; Singh, Surjeet; Panwar, Rahul; Yadav, Pratik; Althagafi, Ismail; Sahu, Satya Narayan","Precursor directed regioselective synthesis of partially reduced benzo[e]indene through oxidative cyclization and benzo[h]quinolines","RSC Adv.","2015","","","","","10.1039/C4RA13612H","","","0.71073","MoKα","","0.0667","0.0496","","","0.1138","0.125","","","","","","1.024","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219508","8.972","0.003","9.172","0.002","14.034","0.002","90.632","0.016","105.367","0.018","104.96","0.02","1071.9","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 N4 -","- C27 H24 N4 -","- C54 H48 N8 -","2","1","","Pratap, Ramendra; Singh, Surjeet; Panwar, Rahul; Yadav, Pratik; Althagafi, Ismail; Sahu, Satya Narayan","Precursor directed regioselective synthesis of partially reduced benzo[e]indene through oxidative cyclization and benzo[h]quinolines","RSC Adv.","2015","","","","","10.1039/C4RA13612H","","","0.71073","MoKα","","0.2752","0.102","","","0.2142","0.302","","","","","","1.007","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219509","8.3453","0.0001","8.3453","0.0001","5.6201","0.0001","90","","90","","90","","391.406","0.01","293","2","293","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- As2 Co O4 -","- As2 Co O4 -","- As8 Co4 O16 -","4","0.25","","Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor","Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA16122J","","","0.71073","MoKα","","0.0306","0.0229","","","0.044","0.0455","","","","","","1.079","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219510","8.2277","0.0012","8.2277","0.0012","5.612","0.0011","90","","90","","90","","379.9","0.11","293","2","293","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- As2 Ni O4 -","- As2 Ni O4 -","- As8 Ni4 O16 -","4","0.25","","Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor","Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties","RSC Adv.","2015","","","","","10.1039/C4RA16122J","","","0.71073","MoKα","","0.0202","0.0161","","","0.0363","0.0371","","","","","","1.09","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219511","57.018","0.004","5.1662","0.0004","9.3289","0.0006","90","","95.689","0.004","90","","2734.4","0.3","150","2","150","2","","","","","","","Crystal Screening","5","C 1 2 1","C 2y","5","S-mandelic acid cocrystal of lamivudine R-mandelate trihydrate","S-mandelic acid cocrystal of 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one R-mandelate trihydrate","","- C24 H33 N3 O12 S -","- C24 H33 N3 O12 S -","- C96 H132 N12 O48 S4 -","4","1","","da Silva, Cameron Capeletti; Martins, Felipe T.","The Enantiopreference in the Solid State Probed in Lamivudine Crystal Forms with Mandelic Acid","RSC Adv.","2015","","","","","10.1039/C5RA01398D","","","1.54178","CuKα","","0.0996","0.0677","","","0.1921","0.2133","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219512","5.323","0.0012","17.152","0.002","19.884","0.002","90","","90","","90","","1815.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine R-mandelate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one R-mandelate","","- C16 H19 N3 O6 S -","- C16 H19 N3 O6 S -","- C64 H76 N12 O24 S4 -","4","1","","da Silva, Cameron Capeletti; Martins, Felipe T.","The Enantiopreference in the Solid State Probed in Lamivudine Crystal Forms with Mandelic Acid","RSC Adv.","2015","","","","","10.1039/C5RA01398D","","","0.71073","MoKα","","0.0977","0.0588","","","0.1564","0.1883","","","","","","1.054","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219513","30.515","0.005","30.515","0.005","7.574","0.002","90","","90","","120","","6108","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C234 H198 Cd18 N18 O108 -","18","1","","Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya","Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework","RSC Adv.","2015","","","","","10.1039/C5RA00621J","","","0.71073","MoKα","","0.1265","0.0739","","","0.1607","0.2041","","","","","","1.081","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219514","30","0.03","30","0.03","7.554","0.013","90","","90","","120","","5888","13","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H7 Cd N O4 -","- C13 H7 Cd N O4 -","- C234 H126 Cd18 N18 O72 -","18","1","","Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya","Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework","RSC Adv.","2015","","","","","10.1039/C5RA00621J","","","0.71073","MoKα","","0.2849","0.0982","","","0.236","0.3685","","","","","","0.963","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219515","7.1603","0.0002","7.2376","0.0002","7.495","0.0003","63.2313","0.0014","69.7053","0.0014","64.984","0.0015","308.331","0.018","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0359","0.0313","","","0.0815","0.0848","","","","","","1.018","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219516","7.3267","0.0002","6.6413","0.0002","12.6512","0.0004","90","","92.2254","0.0015","90","","615.13","0.03","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0284","0.0254","","","0.0743","0.0764","","","","","","1.039","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219518","9.1187","0.0009","10.839","0.001","12.4287","0.0011","66.309","0.001","88.214","0.002","81.725","0.002","1112.7","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","0.71073","MoKα","","0.1342","0.0595","","","0.0957","0.1339","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219519","8.5318","0.001","10.724","0.002","13.1003","0.0018","74.306","0.014","87.632","0.01","81.193","0.012","1140.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","1.54178","CuKα","","0.2516","0.1399","","","0.2392","0.2855","","","","","","1.19","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219520","6.6702","0.0013","8.7729","0.0018","9.1647","0.0018","78.49","0.03","72.67","0.03","68.92","0.03","475.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H6 Ag N O4 -","- C11 H6 Ag N O4 -","- C22 H12 Ag2 N2 O8 -","2","1","","Song, Yang; Fan, Rui-Qing; Zhang, Hui-Jie; Liu, Zhi-Wei; Wang, Xue-Tao; Tan, Cai-Tu; Yang, Yu-Lin; Wang, Yu-Lei","Luminescent properties of Ag(i)/Cu(i) coordination polymers: crystal structures and high intensity luminescence of a PMMA-doped hybrid material based on a quinoline-2,3-dicarboxylic acid ligand","RSC Adv.","2015","5","22","17343","","10.1039/C4RA16863A","","","0.71073","MoKα","","0.0404","0.0324","","","0.0937","0.0995","","","","","","0.983","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219521","4.249","0.0008","15.962","0.003","15.297","0.003","90","","90.03","0.03","90","","1037.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cu I N O2 -","- C10 H7 Cu I N O2 -","- C40 H28 Cu4 I4 N4 O8 -","4","1","","Song, Yang; Fan, Rui-Qing; Zhang, Hui-Jie; Liu, Zhi-Wei; Wang, Xue-Tao; Tan, Cai-Tu; Yang, Yu-Lin; Wang, Yu-Lei","Luminescent properties of Ag(i)/Cu(i) coordination polymers: crystal structures and high intensity luminescence of a PMMA-doped hybrid material based on a quinoline-2,3-dicarboxylic acid ligand","RSC Adv.","2015","5","22","17343","","10.1039/C4RA16863A","","","0.71073","MoKα","","0.0842","0.0814","","","0.2183","0.2192","","","","","","1.267","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219522","12.548","0.012","10.357","0.011","32.36","0.03","90","","97.749","0.019","90","","4167","7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Co N2 P4 -","- C42 H51 Co N2 P4 -","- C168 H204 Co4 N8 P16 -","4","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71073","MoKα","","0.2022","0.1003","","","0.2801","0.3505","","","","","","0.955","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219523","20.3187","0.0013","10.3342","0.0006","18.216","0.0011","90","","100.923","0.001","90","","3755.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Co N2 P4 -","- C40 H47 Co N2 P4 -","- C160 H188 Co4 N8 P16 -","4","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71073","MoKα","","0.0853","0.0465","","","0.1258","0.163","","","","","","0.767","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219524","10.89","0.007","16.894","0.012","18.714","0.014","90","","101.593","0.014","90","","3373","4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Co N2 P3 -","- C38 H40 Co N2 P3 -","- C152 H160 Co4 N8 P12 -","4","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71073","MoKα","","0.2233","0.0765","","","0.1314","0.1855","","","","","","0.905","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219525","16.666","0.002","19.745","0.003","21.037","0.003","90","","90","","90","","6922.6","1.7","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C39 H41 Co N2 P3 -","- C39 H41 Co N2 P3 -","- C312 H328 Co8 N16 P24 -","8","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71","MoKα","","0.1589","0.0778","","","0.1813","0.235","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219526","10.526","0.003","19.385","0.005","21.235","0.005","90","","119.716","0.01","90","","3763.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Co N2 P3 -","- C41 H45 Co N2 P3 -","- C164 H180 Co4 N8 P12 -","4","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71073","MoKα","","0.0674","0.0434","","","0.1019","0.1192","","","","","","0.967","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219527","9.6969","0.0006","12.8371","0.0007","10.8482","0.0006","90","","111.738","0.001","90","","1254.36","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O3 P2 -","- C28 H30 N2 O3 P2 -","- C56 H60 N4 O6 P4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0725","0.0687","","","0.1497","0.1514","","","","","","1.36","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219528","16.9373","0.0007","9.79356","0.00024","18.195","0.0007","90","","105.673","0.003","90","","2905.91","0.18","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mu-(1,4-phenylene tetraphenyl diphosphate) Bis(chlorotriphenyl tin(IV))","","- C66 H54 Cl2 O8 P2 Sn2 -","- C66 H54 Cl2 O8 P2 Sn2 -","- C132 H108 Cl4 O16 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0248","0.0199","","","0.0482","0.0533","","","","","","1.083","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219529","18.1178","0.0008","9.15","0.0004","18.8435","0.0008","90","","114.138","0.001","90","","2850.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H55 Cl2 N O3 P2 Sn2 -","- C66 H55 Cl2 N O3 P2 Sn2 -","- C132 H110 Cl4 N2 O6 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0321","0.0247","","","0.0571","0.0608","","","","","","1.007","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219530","20.193","0.003","9.5523","0.0016","16.433","0.003","90","","104.235","0.003","90","","3072.4","0.9","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C68 H62 Cl2 N4 O4 P2 Sn2 -","- C68 H62 Cl2 N4 O4 P2 Sn2 -","- C136 H124 Cl4 N8 O8 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0876","0.0545","","","0.1141","0.1259","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219531","19.1057","0.0008","10.0612","0.0004","16.6443","0.0006","90","","99.54","0.003","90","","3155.2","0.2","292","2","292","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Mu-(1,3-phenylenebis(methylene) tetraphenyl diphosphoramidate) Bis(chlorotriphenyltin(IV))","","- C68 H60 Cl2 N2 O6 P2 Sn2 -","- C68 H60 Cl2 N2 O6 P2 Sn2 -","- C136 H120 Cl4 N4 O12 P4 Sn4 -","2","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0436","0.0262","","","0.056","0.0618","","","","","","1","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219532","10.5009","0.0004","11.9976","0.0005","12.6149","0.0005","65.763","0.001","83.328","0.001","74.313","0.001","1395.2","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 Cl2 N2 O2 P2 Sn2 -","- C64 H58 Cl2 N2 O2 P2 Sn2 -","- C64 H58 Cl2 N2 O2 P2 Sn2 -","1","0.5","","Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J.","Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations","RSC Adv.","2015","5","23","17482","","10.1039/C4RA12925C","","","0.71073","MoKα","","0.0191","0.0171","","","0.0432","0.0445","","","","","","1.038","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219533","7.269","0.003","7.994","0.003","32.597","0.013","90","","96.402","0.001","90","","1882.3","1.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N-phenyl-3-(3,4,5-trimethoxystyryl)pyridine-2-amine","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","LIKHAR, PRAVIN R; D, Shankar; K, Jaipal; Balasubramanian, Sridhar; Lingamallu, Giribabu","Intramolecular Cyclization Assisted Oxidative Addition: Synthesis of Octahedral Cycloplatinated Methyl Complexes","RSC Adv.","2015","","","","","10.1039/C4RA17066K","","","0.71073","MoKα","","0.0696","0.0516","","","0.1209","0.1301","","","","","","1.082","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219534","14.191","0.002","4.4973","0.0007","25.988","0.004","90","","95.57","0.002","90","","1650.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2q","ethyl 2-((4-chloro-2-((4-fluorophenyl)ethynyl)phenyl)amino)-2-oxoacetate","","- C18 H13 Cl F N O3 -","- C18 H13 Cl F N O3 -","- C72 H52 Cl4 F4 N4 O12 -","4","1","","Liu, Wei; Liu, Sheng; Xie, Hongqi; Qing, Zhixing; Zeng, Jianguo; Cheng, Pi","TBHP mediated oxidation of N-2-alkynylphenyl α-amino carbonyl compounds to oxalic amides using visible light photoredox catalysis and their application in the synthesis of 2-aryl indoles","RSC Adv.","2015","5","23","17383","","10.1039/C4RA17232A","","","0.71073","MoKα","","0.0986","0.0596","","","0.1059","0.1197","","","","","","1.049","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219535","13.051","0.001","12.003","0.001","17.439","0.002","90","","111.47","0.02","90","","2542.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N3 O2 S -","- C29 H27 N3 O2 S -","- C116 H108 N12 O8 S4 -","4","1","","Mahendran, Vaithiyanathan; SHANMUGAM, SIVAKUMAR","One-Pot Synthesis of Hydrazono-Sulfonamide Adducts using Cu(BTC) MOF Catalyst and Their Remarkable AIEE Properties: Unprecedented Copper(II)-Catalyzed Generation of Ketenimine","RSC Adv.","2015","","","","","10.1039/C5RA00147A","","","0.71073","MoKα","","0.0756","0.0483","","","0.1181","0.1329","","","","","","1.019","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219536","7.298","0.005","9.09","0.005","10.762","0.005","75.5","0.005","78.979","0.005","89.218","0.005","678","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","","Malla, Ali Mohammed; Parveen, Mehtab; Ahmad, Faheem; Azaz, Shaista; Alam, Mahboob","[Et3NH][HSO4]-catalyzed eco-friendly and expeditious synthesis of thiazolidine and oxazolidine derivatives","RSC Adv.","2015","","","","","10.1039/C4RA15590D","","","0.71073","MoKα","","0.0626","0.0543","","","0.1554","0.1974","","","","","","1.166","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219537","9.4025","0.0004","9.5037","0.0004","34.15","0.0013","90","","95.976","0.001","90","","3035","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 Ga N2 O -","- C32 H49 Ga N2 O -","- C128 H196 Ga4 N8 O4 -","4","1","","Egorova, Elena; Druzhkov, Nikolai; Shavyrin, Andrey; Cherkasov, Anton; Abakumov, Gleb Arsent'evich; Fedorov, Alexey","The 13 group metal complexes of sterically-hindered substituted iminophenol. Synthesis and structure.","RSC Adv.","2015","","","","","10.1039/C4RA15793A","","","0.71073","MoKα","","0.0332","0.0297","","","0.0742","0.0759","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219538","9.3801","0.0007","9.5414","0.0007","34.908","0.003","90","","97.442","0.001","90","","3097.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 In N2 O -","- C32 H49 In N2 O -","- C128 H196 In4 N8 O4 -","4","1","","Egorova, Elena; Druzhkov, Nikolai; Shavyrin, Andrey; Cherkasov, Anton; Abakumov, Gleb Arsent'evich; Fedorov, Alexey","The 13 group metal complexes of sterically-hindered substituted iminophenol. Synthesis and structure.","RSC Adv.","2015","","","","","10.1039/C4RA15793A","","","0.71073","MoKα","","0.0492","0.0434","","","0.1009","0.1029","","","","","","1.158","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219539","9.485","0.0006","9.6118","0.0006","17.0918","0.0011","90","","98.3","0.001","90","","1541.9","0.17","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H49 N2 O Tl -","- C32 H49 N2 O Tl -","- C64 H98 N4 O2 Tl2 -","2","0.5","","Egorova, Elena; Druzhkov, Nikolai; Shavyrin, Andrey; Cherkasov, Anton; Abakumov, Gleb Arsent'evich; Fedorov, Alexey","The 13 group metal complexes of sterically-hindered substituted iminophenol. Synthesis and structure.","RSC Adv.","2015","","","","","10.1039/C4RA15793A","","","0.71073","MoKα","","0.0187","0.0167","","","0.0393","0.0399","","","","","","1.084","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219540","5.7097","0.0013","3.2187","0.0008","10.017","0.007","90","","90","","90","","184.09","0.14","298","","298","","","","","","","","see text","5","P 1","P 1","1","","","Et2NH2","- C1.28 H3.84 Mo2 N0.32 S4 -","- C1.28 H3.84 Mo2 N0.32 S4 -","- C1.28 H3.84 Mo2 N0.32 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0194","3.909","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219541","5.6924","0.0005","3.2077","0.0003","11.084","0.003","90","","90","","90","","202.39","0.06","298","","298","","","","","","","","see text","5","P 1","P 1","1","","","","- C2.56 H6.4 Mo2 N0.32 S4 -","- C2.56 H6.4 Mo2 N0.32 S4 -","- C2.56 H6.4 Mo2 N0.32 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.01029","2.254","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219542","5.6922","0.0005","3.2125","0.0003","11.046","0.005","90","","90","","90","","201.99","0.1","298","","298","","","","","","","","see text","5","P 1","P 1","1","","c","","- C2 H6 Mo2 N0.5 S4 -","- C2 H6 Mo2 N0.5 S4 -","- C2 H6 Mo2 N0.5 S4 -","1","1","","Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.","Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations","RSC Adv.","2015","","","","","10.1039/C4RA15662E","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.01733","2.53","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7219548","7.5044","0.0013","11.9291","0.0019","14.8473","0.0019","90","","90","","90","","1329.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Ren, Lanhui; Wang, Lianyue; Lv, Ying; Shang, Sensen; Chen, Bo; Gao, Shuang","Synthesis of 6,7-dihydro-5H-cyclopenta[b]pyridin-5-one analogues through manganese-catalyzed oxidation of the CH2adjacent to pyridine moiety in water","Green Chem.","2015","17","4","2369","","10.1039/C4GC02471K","","","0.71073","MoKα","","0.0693","0.0552","","","0.1269","0.1383","","","","","","1.085","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219549","10.0942","0.0009","11.4047","0.0011","17.12","0.0016","108.243","0.001","95.587","0.001","98.501","0.001","1829.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F N5 O S -","- C19 H16 F N5 O S -","- C76 H64 F4 N20 O4 S4 -","4","2","","Wang, Tao; Xiong, Jun; Wang, Wenjuan; Li, Rou; Tang, Xiaoli; Xiong, Fei","Tunable Regioselective Synthesis of Pyrazolo[3,4-d]pyrimidine Derivatives via Aza-Wittig Cyclization and Dimroth-type rearrangement","RSC Adv.","2015","","","","","10.1039/C4RA15777J","","","0.71073","MoKα","","0.1269","0.0515","","","0.1013","0.1259","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219550","20.583","0.003","15.434","0.003","13.875","0.002","90","","121.671","0.002","90","","3751.4","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F N5 O S -","- C20 H18 F N5 O S -","- C160 H144 F8 N40 O8 S8 -","8","1","","Wang, Tao; Xiong, Jun; Wang, Wenjuan; Li, Rou; Tang, Xiaoli; Xiong, Fei","Tunable Regioselective Synthesis of Pyrazolo[3,4-d]pyrimidine Derivatives via Aza-Wittig Cyclization and Dimroth-type rearrangement","RSC Adv.","2015","","","","","10.1039/C4RA15777J","","","0.71073","MoKα","","0.1714","0.0628","","","0.1264","0.1633","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219551","9.753","0.0005","17.2963","0.0008","14.3658","0.0006","90","","91.734","0.004","90","","2422.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5S,5aR,11bS)-3-(2,5-dichlorophenyl)-1,11b-dimethyl-10-nitro- 5-phenyl-3,5a,6,11b-tetrahydro-5H-chromeno[4',3':4,5]pyrano [2,3-c]pyrazole","","- C27 H21 Cl2 N3 O4 -","- C27 H21 Cl2 N3 O4 -","- C108 H84 Cl8 N12 O16 -","4","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Bhagyashri D.; PARMAR, NARSIDAS JERAMDAS; Kant, Rajani; Gupta, Vivek","A domino synthetic approach for some new, angular pyrazol‒ and isoxazol‒heterocycles using [DBU][Ac] as an effective reaction medium","RSC Adv.","2015","","","","","10.1039/C5RA00493D","","","0.71073","MoKα","","0.0808","0.0455","","","0.0927","0.1085","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219552","10.0801","0.0007","15.4384","0.0013","15.7805","0.0013","90","","95.78","0.007","90","","2443.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5,11b-Trimethyl-5-(4-methylpent-3-en-1-yl)-10-nitro-3- phenyl-3,5a,6,11b-tetrahydro-5H-chromeno[4',3':4,5]pyrano [2,3-c]pyrazole","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Bhagyashri D.; PARMAR, NARSIDAS JERAMDAS; Kant, Rajani; Gupta, Vivek","A domino synthetic approach for some new, angular pyrazol‒ and isoxazol‒heterocycles using [DBU][Ac] as an effective reaction medium","RSC Adv.","2015","","","","","10.1039/C5RA00493D","","","0.71073","MoKα","","0.1127","0.0549","","","0.1167","0.1479","","","","","","0.981","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219553","9.0838","0.0007","9.2619","0.0009","11.2639","0.0007","98.859","0.007","93.035","0.006","96.981","0.007","926.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","10-Chloro-5,5,11b-trimethyl-1-phenyl-5,5a,6, 11b-tetrahydrochromeno[4',3':4,5]pyrano[3,2-d]isoxazole","","- C22 H20 Cl N O3 -","- C22 H20 Cl N O3 -","- C44 H40 Cl2 N2 O6 -","2","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Bhagyashri D.; PARMAR, NARSIDAS JERAMDAS; Kant, Rajani; Gupta, Vivek","A domino synthetic approach for some new, angular pyrazol‒ and isoxazol‒heterocycles using [DBU][Ac] as an effective reaction medium","RSC Adv.","2015","","","","","10.1039/C5RA00493D","","","0.71073","MoKα","","0.0771","0.0498","","","0.1071","0.1255","","","","","","1.042","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219554","15.0693","0.0008","7.8825","0.0005","16.147","0.0011","90","","92.896","0.006","90","","1915.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,12b-dimethyl-3-phenyl 3,4a,5,6,7,7a,7b,12b octahydrochromeno[4',3',2':4,5]chromeno[2,3-c]pyrazole","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Bhagyashri D.; PARMAR, NARSIDAS JERAMDAS; Kant, Rajani; Gupta, Vivek","A domino synthetic approach for some new, angular pyrazol‒ and isoxazol‒heterocycles using [DBU][Ac] as an effective reaction medium","RSC Adv.","2015","","","","","10.1039/C5RA00493D","","","0.71073","MoKα","","0.0905","0.0524","","","0.0971","0.1141","","","","","","1.017","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219558","7.8232","0.0008","11.9434","0.0014","9.8716","0.0009","90","","96.825","0.008","90","","915.82","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","","Kumar, Satyanand; Kumar, Arvind; Agarwal, Alka; Awasthi, Satish Kumar","Synthetic application of gold nano particles and auric chloride for the synthesis of 5-substituted 1-H tetrazoles","RSC Adv.","2015","","","","","10.1039/C4RA13461C","","","0.71073","MoKα","","0.0734","0.0619","","","0.1981","0.2061","","","","","","1.45","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219559","14.907","0.002","4.9488","0.0005","12.804","0.002","90","","108.31","0.02","90","","896.8","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","","Kumar, Satyanand; Kumar, Arvind; Agarwal, Alka; Awasthi, Satish Kumar","Synthetic application of gold nano particles and auric chloride for the synthesis of 5-substituted 1-H tetrazoles","RSC Adv.","2015","","","","","10.1039/C4RA13461C","","","0.71073","MoKα","","0.1224","0.0759","","","0.2288","0.2931","","","","","","0.923","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219560","8.1561","0.0004","10.424","0.0004","17.6525","0.001","90","","97.994","0.005","90","","1486.22","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-5'H-spiro[indoline-3,4'-pyrrolo[1,2-a]quinoxalin]-2-one","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Nath, Mahendra; Preetam, Amreeta","An eco-friendly Pictet-Spengler approach to pyrrolo- and indolo[1,2-a]quinoxalines using p-dodecylbenzenesulfonic acid as an efficient Brønsted acid catalyst","RSC Adv.","2015","","","","","10.1039/C4RA16651E","","","0.71073","MoKα","","0.0575","0.0515","","","0.1354","0.1394","","","","","","1.082","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219561","7.5733","0.0003","10.0581","0.0007","11.2828","0.0006","105.441","0.005","102.93","0.004","91.66","0.004","803.82","0.08","130","0.2","130","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Br N4 O S -","- C17 H13 Br N4 O S -","- C34 H26 Br2 N8 O2 S2 -","2","1","","Iqbal, Jamshed; Khan, Imtiaz; Zaib, Sumera; Ibrar, Aliya; Abbas, Saba; Bakht, Mahwish; Hameed, Shahid; White, Jonathan M.; Rana, Usman Ali; Shahid, Mohammad","Exploration of a library of triazolothiadiazole and triazolothiadiazine compounds as a highly potent and selective family of cholinesterase and monoamine oxidase inhibitors: Design, synthesis, X-ray diffraction analysis and molecular docking studies","RSC Adv.","2015","","","","","10.1039/C5RA00906E","","","0.7107","MoKα","","0.0448","0.0349","","","0.0729","0.0776","","","","","","1.028","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219562","13.03","0.0003","17.3539","0.0004","8.6142","0.0002","90","","98.99","0.002","90","","1923.93","0.08","130","0.1","130","2.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O S -","- C23 H18 N4 O S -","- C92 H72 N16 O4 S4 -","4","1","","Iqbal, Jamshed; Khan, Imtiaz; Zaib, Sumera; Ibrar, Aliya; Abbas, Saba; Bakht, Mahwish; Hameed, Shahid; White, Jonathan M.; Rana, Usman Ali; Shahid, Mohammad","Exploration of a library of triazolothiadiazole and triazolothiadiazine compounds as a highly potent and selective family of cholinesterase and monoamine oxidase inhibitors: Design, synthesis, X-ray diffraction analysis and molecular docking studies","RSC Adv.","2015","","","","","10.1039/C5RA00906E","","","0.7107","MoKα","","0.0736","0.0505","","","0.1156","0.1343","","","","","","1.053","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219563","7.516","0.004","13.068","0.006","14.645","0.007","90","","99.759","0.011","90","","1417.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu4 N6 O18 -","- C24 H24 Cu4 N6 O18 -","- C48 H48 Cu8 N12 O36 -","2","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0905","0.0645","","","0.1527","0.1762","","","","","","1.074","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219564","6.895","0.003","8.881","0.004","13.473","0.006","98.359","0.011","99.914","0.012","94.388","0.009","799.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","1","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0996","0.071","","","0.1699","0.1924","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219565","8.4824","0.0017","11.011","0.002","18.583","0.004","78.75","0.03","81.03","0.03","69.88","0.03","1591","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd3 N6 O18 -","- C24 H26 Cd3 N6 O18 -","- C48 H52 Cd6 N12 O36 -","2","1","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.71075","MoKα","","0.0584","0.0434","","","0.1023","0.1102","","","","","","1.063","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219566","7.052","0.002","8.324","0.003","13.41","0.004","90","","102.299","0.006","90","","769.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LIGAND ZWITTER ION","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0602","0.0486","","","0.1357","0.1669","","","","","","1.165","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219567","8.491","0.0017","8.041","0.0016","18.847","0.004","90","","101.16","0.03","90","","1262.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Zn monomer","","","- C7 H13 Cl N2 O7 Zn -","- C7 H13 Cl N2 O7 Zn -","- C28 H52 Cl4 N8 O28 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0455","0.0397","","","0.1079","0.1135","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219569","7.9324","0.0013","8.4897","0.0014","10.8444","0.0018","80.027","0.003","72.51","0.003","64.679","0.002","628.78","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ZN DIMER","","","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","1","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0595","0.0534","","","0.1627","0.1792","","","","","","1.091","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219570","15.075","0.002","8.3079","0.0012","16.676","0.003","90","","92.8","0.003","90","","2086","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zINC NITRATE MONOMER","","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C56 H96 N16 O52 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0713","0.0516","","","0.1324","0.1726","","","","","","1.143","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219571","8.8373","0.0008","13.3995","0.0008","13.411","0.001","90","","91.947","0.002","90","","1587.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd DDII","","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C56 H56 Cd4 N16 O32 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0366","0.0316","","","0.0752","0.1078","","","","","","1.252","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219572","23.7739","0.0006","16.0647","0.0003","11.8936","0.0003","90","","99.029","0.003","90","","4486.13","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H56 N16 S10 Sn3 -","- C16 H56 N16 S10 Sn3 -","- C64 H224 N64 S40 Sn12 -","4","0.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0538","0.0369","","","0.0721","0.0785","","","","","","1.051","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219575","8.972","0.003","17.266","0.004","14.26","0.005","90","","94.66","0.03","90","","2201.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 O4 S2 -","- C23 H32 O2 S -","- C92 H128 O8 S4 -","4","1","","Colella, L.; Brambilla, L.; Nardone, V.; Parisini, E.; Castiglioni, C.; Bertarelli, C.","Outside rules inside: the role of electron-active substituents in thiophene-based heterophenoquinones.","Physical chemistry chemical physics : PCCP","2015","17","16","10426","10437","10.1039/c4cp05748a","","","1.54178","CuKα","","0.1333","0.0842","","","0.229","0.2643","","","","","","1.084","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219576","24.0692","0.0003","16.8248","0.0003","15.9161","0.0003","90","","93.334","0.001","90","","6434.47","0.19","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H33 B2 F30 N5 Si2 Zn -","- C61 H33 B2 F30 N5 Si2 Zn -","- C244 H132 B8 F120 N20 Si8 Zn4 -","4","0.5","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.075","0.0612","","","0.15","0.1643","","","","","","1.057","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219577","10.3795","0.0003","11.2101","0.0004","15.3836","0.0006","75.093","0.001","80.392","0.002","71.743","0.002","1635.37","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H66 N10 Si4 Zn2 -","- C50 H66 N10 Si4 Zn2 -","- C50 H66 N10 Si4 Zn2 -","1","0.5","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.0572","0.0502","","","0.1336","0.1389","","","","","","1.065","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219578","10.6036","0.0001","17.0996","0.0002","19.1825","0.0003","71.047","0.001","81.865","0.001","89.954","0.001","3252.66","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N4 Si2 Zn -","- C30 H46 N4 Si2 Zn -","- C120 H184 N16 Si8 Zn4 -","4","2","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.069","0.053","","","0.109","0.1198","","","","","","1.064","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219579","9.7845","0.0003","10.2261","0.0004","12.4486","0.0004","101.95","0.002","104.633","0.002","104.712","0.001","1115.63","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N6 O2 Zn2 -","- C48 H58 N6 O2 Zn2 -","- C48 H58 N6 O2 Zn2 -","1","0.5","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.035","0.032","","","0.0831","0.0859","","","","","","1.049","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219580","9.7928","0.0003","11.3155","0.0004","16.999","0.0006","72.961","0.001","83.413","0.002","68.922","0.002","1680.39","0.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N8 Zn -","- C38 H30 N8 Zn -","- C76 H60 N16 Zn2 -","2","1","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.0546","0.0491","","","0.1163","0.1214","","","","","","1.072","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219581","9.7839","0.0001","28.2012","0.0003","20.4432","0.0003","90","","91.327","0.001","90","","5639.13","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 F10 N6 Zn2 -","- C60 H56 F10 N6 Zn2 -","- C240 H224 F40 N24 Zn8 -","4","1","","Rojas, Rene S.; Trofymchuk, Oleksandra S.; Daniliuc, Constantin Gabriel; Kehr, Gerald; Erker, G.","Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes and Adducts, their Application in Ring‐Opening Polymerization of L-lactide","RSC Adv.","2015","","","","","10.1039/C4RA16670A","","","0.71073","MoKα","","0.0868","0.0569","","","0.1043","0.1201","","","","","","1.057","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219582","7.6844","0.0003","16.3169","0.0006","22.267","0.0007","90","","90","","90","","2791.96","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-(4-Nitrophenyl)-2-oxoethylidene)-1-(2,3,4-tri-<i>O</i>-acetyl-β-L-rhamno-pyranosyl)indolin-2-one","","- C28 H26 N2 O11 -","- C28 H26 N2 O11 -","- C112 H104 N8 O44 -","4","1","","Kleeblatt, Dennis; Becker, Martin; Ploetz, Michael; Schönherr, Madeleine; Villinger, Alexander; Hein, Martin; Eberle, Jürgen; Kunz, Manfred; Rahman, Qamar; Langer, Peter","Synthesis and Bioactivity of N-glycosylated 3-(2-Oxo-2- arylethylidene)-indolin-2-ones","RSC Adv.","2015","","","","","10.1039/C4RA14301A","","","0.71073","MoKα","","0.0801","0.0457","","","0.0982","0.1084","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219583","14.958","0.0018","14.958","0.0018","9.05","0.002","90","","90","","90","","2024.9","0.6","296","2","296","2","","","","","","","","6","P 42","P 4c","77","","","","- C4 H10 Mn4 N4 O16 P4 -","- C4 H10 Mn4 N4 O16 P4 -","- C16 H40 Mn16 N16 O64 P16 -","4","1","","He, Yongke; Yan, Yan; Wu, Junbiao; Song, Xiaowei","Ionothermal synthesis of a new three-dimensional manganese(II) phosphate with DFT-zeotype structure","RSC Adv.","2015","","","","","10.1039/C5RA01350J","","","0.71073","MoKα","","0.0417","0.0349","","","0.0853","0.0913","","","","","","1.064","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219584","6.392","0.0004","8.4041","0.0005","20.1646","0.0012","90","","90","","90","","1083.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Defu; Mao, Jincheng; Rong, Guangwei; Yan, Hong; Zheng, Yang; Chen, Jie","Concise synthesis of semicarbazides and formylhydrazines via direct addition reaction between aromatic azoarenes and N-substituted formamides","RSC Adv.","2015","5","25","19301","","10.1039/C4RA17015F","","","0.71073","MoKα","","0.1075","0.0887","","","0.2151","0.2427","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219585","11.6044","0.0004","13.1169","0.0004","20.4496","0.0009","99.347","0.002","93.793","0.002","113.837","0.002","2779.28","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mo12 N12 O42 Si -","- C24 H28 Mo12 N12 O42 Si -","- C48 H56 Mo24 N24 O84 Si2 -","2","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0599","0.0382","","","0.0742","0.0825","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219586","13.1126","0.0015","16.1764","0.0019","17.1279","0.0015","90","","123.896","0.006","90","","3015.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu Mo4 N8 O13 -","- C16 H24 Cu Mo4 N8 O13 -","- C64 H96 Cu4 Mo16 N32 O52 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.1062","0.0573","","","0.1219","0.1441","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219587","23.3171","0.0013","15.7546","0.0009","12.0657","0.0007","90","","94.949","0.001","90","","4415.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H59 Mo12 N27 O45 Si -","- C54 H59 Mo12 N27 O45 Si -","- C108 H118 Mo24 N54 O90 Si2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0632","0.0514","","","0.1396","0.1479","","","","","","1.061","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219588","7.068","0.0004","10.3127","0.0005","14.2953","0.0007","81.736","0.003","77.874","0.002","70.655","0.002","958.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","((1Z)-N-(benzylcarbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H21 Fe N3 S -","- C20 H21 Fe N3 S -","- C40 H42 Fe2 N6 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0366","0.0296","","","0.0745","0.0786","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219589","19.7141","0.0014","7.0263","0.0004","28.099","0.002","90","","90.386","0.002","90","","3892.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 Cl Fe N3 S -","- C20 H20 Cl Fe N3 S -","- C160 H160 Cl8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0589","0.0358","","","0.0788","0.0895","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219590","7.1685","0.0003","10.3397","0.0004","14.596","0.0006","80.533","0.002","81.113","0.001","70.067","0.002","997.53","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","((1Z)-N-((4-methoxybenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C21 H23 Fe N3 O S -","- C21 H23 Fe N3 O S -","- C42 H46 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0416","0.0306","","","0.0735","0.0799","","","","","","1.045","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219591","18.8634","0.0013","7.1602","0.0005","27.7613","0.0018","90","","92.83","0.004","90","","3745","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-fluorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0609","0.0347","","","0.0714","0.083","","","","","","1.026","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219592","19.0887","0.0009","7.2037","0.0003","27.4267","0.0012","90","","91.056","0.002","90","","3770.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((4-flourobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0448","0.0313","","","0.0718","0.0782","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219593","14.7017","0.0006","15.3648","0.0006","19.1929","0.0008","90","","103.828","0.002","90","","4209.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ADG-PC-Phsophine complex","","- C45 H40 Cl4 N3 P Pd -","- C45 H40 Cl4 N3 P Pd -","- C180 H160 Cl16 N12 P4 Pd4 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Dasgupta, Ayan","Catalytic asymmetric hydrogenation using [2.2]paracyclophane based chiral 1,2,3-triazol-5-ylidene-Pd complex under ambient conditions and 1 atmosphere of H2","RSC Adv.","2015","","","","","10.1039/C5RA03021H","","","0.71073","MoKα","","0.0928","0.0565","","","0.1454","0.164","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219594","26.3226","0.0017","7.3433","0.0004","11.8767","0.0006","90","","99.34","0.002","90","","2265.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I N3 -","- C26 H26 I N3 -","- C104 H104 I4 N12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Dasgupta, Ayan","Catalytic asymmetric hydrogenation using [2.2]paracyclophane based chiral 1,2,3-triazol-5-ylidene-Pd complex under ambient conditions and 1 atmosphere of H2","RSC Adv.","2015","","","","","10.1039/C5RA03021H","","","0.71073","MoKα","","0.0694","0.0424","","","0.0759","0.0872","","","","","","1.048","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219595","7.6305","0.0002","15.1575","0.0003","22.3524","0.0005","90","","90","","90","","2585.26","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl2 N4 Pd -","- C28 H28 Cl2 N4 Pd -","- C112 H112 Cl8 N16 Pd4 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Dasgupta, Ayan","Catalytic asymmetric hydrogenation using [2.2]paracyclophane based chiral 1,2,3-triazol-5-ylidene-Pd complex under ambient conditions and 1 atmosphere of H2","RSC Adv.","2015","","","","","10.1039/C5RA03021H","","","0.71073","MoKα","","0.0194","0.0182","","","0.0428","0.0435","","","","","","1.059","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219596","9.1369","0.0002","17.8053","0.0004","9.7509","0.0002","90","","108.457","0.001","90","","1504.73","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar","Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling","RSC Adv.","2015","","","","","10.1039/C4RA16584E","","","0.71073","MoKα","","0.0536","0.0407","","","0.1059","0.1159","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219597","11.239","0.0005","22.3058","0.001","15.2021","0.0007","90","","104.171","0.002","90","","3695.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N4 O2.5 Pd -","- C20 H17 N4 O2.5 Pd -","- C160 H136 N32 O20 Pd8 -","8","2","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar","Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling","RSC Adv.","2015","","","","","10.1039/C4RA16584E","","","0.71073","MoKα","","0.0428","0.0278","","","0.0666","0.0745","","","","","","1.015","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219598","21.9347","0.0006","6.952","0.0002","23.1894","0.0006","90","","112.175","0.003","90","","3274.6","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl N4 Pd -","- C18 H13 Cl N4 Pd -","- C144 H104 Cl8 N32 Pd8 -","8","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar","Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling","RSC Adv.","2015","","","","","10.1039/C4RA16584E","","","0.71073","MoKα","","0.0353","0.027","","","0.0626","0.0675","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219599","12.7588","0.0003","6.8712","0.0002","19.0666","0.0005","90","","93.257","0.001","90","","1668.84","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N4 Pd -","- C18 H13 Br N4 Pd -","- C72 H52 Br4 N16 Pd4 -","4","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar","Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling","RSC Adv.","2015","","","","","10.1039/C4RA16584E","","","0.71073","MoKα","","0.041","0.0273","","","0.0655","0.0719","","","","","","1.028","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219600","9.7153","0.0005","11.3018","0.0005","15.5241","0.0007","90","","93.107","0.002","90","","1702.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I N4 Pd -","- C18 H13 I N4 Pd -","- C72 H52 I4 N16 Pd4 -","4","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar","Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling","RSC Adv.","2015","","","","","10.1039/C4RA16584E","","","0.71073","MoKα","","0.0564","0.0413","","","0.0964","0.1101","","","","","","1.047","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219601","9.273","0.004","16.808","0.007","23.315","0.009","90","","100.688","0.015","90","","3571","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 N4 O2 -","- C45 H40 N4 O2 -","- C180 H160 N16 O8 -","4","1","","Das, Debasis; Kumari, Babli; Lohar, Sisir; Adhikari, Sangita; Sengupta, Archya; Chattopadhyay, Ansuman; Brandao, Paula; Felix, Vitor","Rhodamine derived colorimetric and fluorescence mercury(II) chemodosimeter for human breast cancer cell (MCF7) imaging","RSC Adv.","2015","","","","","10.1039/C4RA14624G","","","0.71073","MoKα","","0.1297","0.0673","","","0.1798","0.2194","","","","","","0.957","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219602","11.5411","0.0014","11.5412","0.001","23.608","0.002","90","","92.592","0.004","90","","3141.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N4 O2 -","- C39 H38 N4 O2 -","- C156 H152 N16 O8 -","4","1","","Das, Debasis; Kumari, Babli; Lohar, Sisir; Adhikari, Sangita; Sengupta, Archya; Chattopadhyay, Ansuman; Brandao, Paula; Felix, Vitor","Rhodamine derived colorimetric and fluorescence mercury(II) chemodosimeter for human breast cancer cell (MCF7) imaging","RSC Adv.","2015","","","","","10.1039/C4RA14624G","","","0.71073","MoKα","","0.076","0.0456","","","0.1027","0.1163","","","","","","1.022","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219603","23.286","0.002","17.2577","0.0016","18.2221","0.0017","90","","126.661","0.003","90","","5874.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd2 N5 O12 -","- C21 H23 Cd2 N5 O12 -","- C168 H184 Cd16 N40 O96 -","8","1","","Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Yao, Qing-Xia; Du, Yu-Chang; Dou, Jian-Min","A new Cd(ii)-based metal‒organic framework for highly sensitive fluorescence sensing of nitrobenzene","CrystEngComm","2015","17","12","2459","","10.1039/C5CE00162E","","","0.71073","MoKα","","0.1442","0.0707","","","0.1428","0.1616","","","","","","1.009","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219604","14.974","0.003","14.968","0.003","11.822","0.002","90","","99.26","0.003","90","","2615.1","0.9","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H2 N8 O11 -","- C6 H2 N8 O11 -","- C48 H16 N64 O88 -","8","2","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.0549","0.0479","","","0.13","0.137","","","","","","1.031","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7219605","8.8823","0.0016","10.2514","0.0018","10.7178","0.0019","78.079","0.003","83.683","0.003","71.346","0.002","903.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N14 O11 -","- C8 H12 N14 O11 -","- C16 H24 N28 O22 -","2","1","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.0442","0.0401","","","0.1108","0.1153","","","","","","1.04","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219606","13.873","0.009","11.275","0.007","14.334","0.01","90","","90","","90","","2242","3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H8 N9 O5.5 -","- C5 H8 N9 O5.5 -","- C40 H64 N72 O44 -","8","1","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.0948","0.0638","","","0.131","0.1702","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219607","7.691","0.004","9.29","0.005","10.564","0.005","94.504","0.008","104.174","0.007","100.366","0.007","713.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O11 -","- C6 H8 N10 O11 -","- C12 H16 N20 O22 -","2","1","","Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning","A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties","RSC Adv.","2015","","","","","10.1039/C5RA00175G","","","0.71073","MoKα","","0.041","0.0366","","","0.1266","0.1382","","","","","","1.081","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219608","7.1131","0.0003","12.3658","0.0008","12.6629","0.0008","111.01","0.006","95.419","0.004","94.912","0.004","1026.53","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl2 N4 O8 Zn -","- C12 H28 Cl2 N4 O8 Zn -","- C24 H56 Cl4 N8 O16 Zn2 -","2","1","","Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora","Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies","RSC Adv.","2015","","","","","10.1039/C4RA15717F","","","0.71073","MoKα","","0.1247","0.0607","","","0.1342","0.1561","","","","","","0.939","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219609","6.4876","0.001","12.225","0.002","13.363","0.002","91.909","0.013","98.916","0.013","92.458","0.013","1045.2","0.3","298","","298","","","","","","","","","6","P 1","P 1","1","","","","- C36 H41 Cu N8 O16 P2 -","- C36 H43 Cu N8 O16 P2 -","- C36 H43 Cu N8 O16 P2 -","1","1","","Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora","Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies","RSC Adv.","2015","","","","","10.1039/C4RA15717F","","","0.71073","MoKα","","0.0832","0.0626","","","0.1541","0.1758","","","","","","1.025","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219610","6.5343","0.0003","12.3708","0.0006","13.0811","0.0007","93.63","0.004","97.837","0.004","91.708","0.004","1044.64","0.09","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cu N8 O16 P2 -","- C36 H44 Cu N8 O16 P2 -","- C36 H44 Cu N8 O16 P2 -","1","0.5","","Shahul Hameed, Sabiah; Popuri, Sureshbabu; Tjakraatmadja, A.A.J Sudarga; Elavarasan, K.; Chittepu, Hanmandlu; Kulak, Nora","Mononuclear Zn(II) and Cu(II) Complexes with a Simple Diamine Ligand: Synthesis, Structure, Phosphodiester Binding and DNA Cleavage Studies","RSC Adv.","2015","","","","","10.1039/C4RA15717F","","","0.71073","MoKα","","0.0588","0.0466","","","0.1165","0.1243","","","","","","1.032","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219611","10.7259","0.0009","14.2208","0.0012","14.8907","0.0012","92.508","0.001","93.72","0.001","98.825","0.001","2236.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 N6 O8 -","- C44 H42 Cl6 N6 O8 -","- C88 H84 Cl12 N12 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0782","0.0637","","","0.1797","0.1951","","","","","","1.065","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219612","10.8333","0.0015","14.2199","0.0019","15.066","0.002","93.122","0.002","108.057","0.002","99.045","0.002","2165.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 Cl3 F10 N4 O8 -","- C45 H33 Cl3 F10 N4 O8 -","- C90 H66 Cl6 F20 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0876","0.0592","","","0.1666","0.1893","","","","","","1.157","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219613","11.0037","0.0013","13.2032","0.0014","17.428","0.003","89.128","0.002","76.376","0.002","72.207","0.011","2338.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 N6 O10 -","- C46 H46 Cl6 N6 O10 -","- C92 H92 Cl12 N12 O20 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1276","0.107","","","0.2451","0.2575","","","","","","1.136","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219614","11.1774","0.0014","13.9112","0.0018","26.663","0.003","90","","97.601","0.002","90","","4109.4","0.9","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl3 N4 O8 -","- C45 H39 Cl3 N4 O8 -","- C180 H156 Cl12 N16 O32 -","4","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0489","0.0381","","","0.0987","0.104","","","","","","1.083","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219615","12.9379","0.0012","13.0294","0.0012","15.7092","0.0014","114.083","0.001","93.522","0.001","111.344","0.001","2182.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl3 F2 N3 O8.5 -","- C47 H41 Cl3 F2 N3 O8.5 -","- C94 H82 Cl6 F4 N6 O17 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0671","0.055","","","0.1622","0.1746","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219616","13.1674","0.0015","13.8587","0.0016","15.664","0.0018","64.005","0.002","85.984","0.002","67.813","0.002","2363.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H43.5 Cl4.5 N4 O8 -","- C53.5 H43.5 Cl4.52 N4 O8 -","- C107 H87 Cl9.04 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0965","0.0784","","","0.2216","0.2403","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219617","10.9368","0.0013","14.8456","0.0018","15.7583","0.0019","71.07","0.002","89.029","0.002","69.365","0.002","2251.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 Cl3 N4 O8 -","- C49 H43 Cl3 N4 O8 -","- C98 H86 Cl6 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1059","0.0565","","","0.1485","0.1818","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219618","7.9301","0.0005","18.6114","0.0012","11.7983","0.0008","90","","96.431","0.002","90","","1730.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O Se -","- C20 H14 N4 O Se -","- C80 H56 N16 O4 Se4 -","4","1","","Khan, Md Nasim; Karamthulla, Shaik; Choudhury, Md Lokman H.; Faizi, Md. Serajul Haque","Ultrasound assisted multicomponent reactions: a green method for the synthesis of highly functionalized selenopyridines using reusable polyethylene glycol as reaction medium","RSC Adv.","2015","","","","","10.1039/C5RA02403J","","","0.71073","MoKα","","0.0432","0.032","","","0.0743","0.0786","","","","","","1.037","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219619","8.89","0.005","10.257","0.005","20.323","0.005","91.701","0.005","90.533","0.005","98.252","0.005","1833","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","KSH","","- C49 H34 Cl N O4 -","- C49 H34 Cl N O4 -","- C98 H68 Cl2 N2 O8 -","2","1","","Koorathota, Suman; Thennarasu, Sathiah","Base Catalysed Domino and Self-domino Michael-Aldol Reactions: One-pot Synthesis of Dispirocyclopentaneoxindoles Containing Multiple Chiral Stereocenters","RSC Adv.","2015","","","","","10.1039/C5RA00283D","","","0.71073","MoKα","","0.0506","0.0395","","","0.1103","0.1189","","","","","","1.013","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219620","11.97","0.0005","15.5516","0.0008","23.1725","0.0011","90","","103.186","0.0019","90","","4199.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 F2 N4 O4 -","- C51 H38 F2 N4 O4 -","- C204 H152 F8 N16 O16 -","4","1","","Koorathota, Suman; Thennarasu, Sathiah","Base Catalysed Domino and Self-domino Michael-Aldol Reactions: One-pot Synthesis of Dispirocyclopentaneoxindoles Containing Multiple Chiral Stereocenters","RSC Adv.","2015","","","","","10.1039/C5RA00283D","","","0.71073","MoKα","","0.0629","0.047","","","0.1222","0.1361","","","","","","1.076","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219626","6.424","0.0013","10.255","0.002","27.064","0.005","90","","90","","90","","1782.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O5 S -","- C16 H21 N O5 S -","- C64 H84 N4 O20 S4 -","4","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.1001","0.0728","","","0.1937","0.2238","","","","","","1.095","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219627","6.46","0.0013","10.641","0.002","12.411","0.003","90","","94.52","0.03","90","","850.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O4 S -","- C15 H18 Cl N O4 S -","- C30 H36 Cl2 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0761","0.0619","","","0.1501","0.1649","","","","","","1.078","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219628","10.485","0.002","6.602","0.0013","12.803","0.003","90","","103.81","0.03","90","","860.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C30 H36 Br2 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0732","0.0531","","","0.1351","0.1535","","","","","","0.901","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219629","10.308","0.002","6.379","0.0013","12.174","0.002","90","","100.71","0.03","90","","786.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C30 H38 N2 O8 S2 -","2","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.0674","0.0524","","","0.1273","0.1558","","","","","","1.005","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219630","9.809","0.003","10.419","0.003","16.505","0.005","90","","90","","90","","1686.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O10 -","- C15 H19 N O10 -","- C60 H76 N4 O40 -","4","1","","Kulkarni, Suvarn S.; Sanapala, Someswara Rao","One-pot Synthesis of Bicyclic Sugar Oxazolidinone from D-Glucosamine","RSC Adv.","2015","","","","","10.1039/C5RA02270C","","","0.71075","MoKα","","0.0415","0.0386","","","0.1125","0.1216","","","","","","0.738","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219631","19.6111","0.0018","19.6932","0.0018","24.446","0.002","81.59","0.02","70.14","0.02","60.83","0.02","7751","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","16tBuPcYb","16tBuPcYb","","- C157 H204 Cl3 Co N8 O18 P3 Yb -","- C157 H204 Cl3 Co N8 O18 P3 Yb -","- C314 H408 Cl6 Co2 N16 O36 P6 Yb2 -","2","1","","Zhang, Quanquan; Cheng, Guoe; Ke, Hanzhong; Zhu, Xunjin; Zhu, Nianyong; Wong, Wai-Yeung (Raymond); Wong, Wai-Kwok Rick","Effects of Peripheral Substitutions on the Singlet Oxygen Quantum Yields of Monophthalocyaninato Ytterbium(III) Complexes","RSC Adv.","2015","","","","","10.1039/C5RA02569A","","","0.71073","MoKα","","0.1388","0.0721","","","0.1695","0.2173","","","","","","1.096","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219632","14.6268","0.0002","18.3253","0.0003","15.3798","0.0002","90","","118.011","0.001","90","","3639.5","0.1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H89 Cl3 N26 O24 -","- C53 H61 Cl3 N26 O24 -","- C106 H122 Cl6 N52 O48 -","2","1","","Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin","Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril.","Physical chemistry chemical physics : PCCP","2015","17","14","8618","8621","10.1039/c5cp00152h","","","0.71073","MoKα","","0.0881","0.085","","","0.2321","0.2391","","","","","","1.03","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219633","18.6233","0.0012","18.6233","0.0012","18.6233","0.0012","90","","90","","90","","6459.1","0.7","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H16 Cl0.31 Cu4 N32 O4.69 -","- C24 H8 Cl0.27 Cu4 N32 O4.73 -","- C72 H24 Cl0.81 Cu12 N96 O14.19 -","3","0.0625","","Zhang, Lingjuan; Han, Cai-Yun; Dang, Qin-Qin; Wang, Yanhong; Zhang, Xian-Ming","Solvent-Free Heterogeneous Catalysis for Cyanosilylation in a Modified Sodalite-typed Cu(II)-MOF","RSC Adv.","2015","","","","","10.1039/C4RA16350H","","","0.71073","MoKα","","0.0857","0.0705","","","0.2072","0.2205","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219634","31.3901","0.0007","10.9106","0.0002","15.8458","0.0003","90","","90.553","0.001","90","","5426.69","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","- C168 H104 Co12 N16 O56 -","4","0.5","","Huang, Wun-Jhih; Hsu, Chia-Ju; Tsai, Shao-Kang; He, Hsiu-Yi; Ding, Jaw-Jih; Hsu, Ting-Wei; Yang, Chun-Chuen; Chen, Jhy-Der","Homo- and heterometallic coordination networks based on linear trinuclear Co(II) units: synthesis, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA00728C","","","0.71073","MoKα","","0.1044","0.0509","","","0.0944","0.1022","","","","","","1.01","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219635","26.5485","0.0004","9.4823","0.0001","18.7577","0.0003","90","","101.185","0.001","90","","4632.39","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co3 K2 N4 O20 -","- C40 H28 Co3 K2 N4 O20 -","- C160 H112 Co12 K8 N16 O80 -","4","0.5","","Huang, Wun-Jhih; Hsu, Chia-Ju; Tsai, Shao-Kang; He, Hsiu-Yi; Ding, Jaw-Jih; Hsu, Ting-Wei; Yang, Chun-Chuen; Chen, Jhy-Der","Homo- and heterometallic coordination networks based on linear trinuclear Co(II) units: synthesis, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA00728C","","","0.71073","MoKα","","0.0984","0.0509","","","0.1113","0.1263","","","","","","1.01","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219636","8.246","0.002","12.765","0.004","18.256","0.006","70.607","0.009","84.283","0.009","84.456","0.008","1799.5","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Br3 Mn N3 O3 -","- C42 H33 Br3 Mn N3 O3 -","- C84 H66 Br6 Mn2 N6 O6 -","2","1","","Mahammad, Ali; Dutta, Arpan; Biswas, Surajit; Dolai, Malay; shaw, Bikash kumar; saha, Shyamal Kumar; Mondal, Abhishake","Mononuclear manganese (III) complexes of bidentate NO donor Schiff base ligands: synthesis, structural characterization, magnetic and catecholase studies","RSC Adv.","2015","","","","","10.1039/C5RA00239G","","","0.71073","MoKα","","0.0764","0.039","","","0.1101","0.1275","","","","","","0.984","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219637","11.5135","0.0004","14.5392","0.0006","25.8603","0.001","103.534","0.003","90.011","0.003","90.013","0.003","4208.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Br3 Mn N3 O3 -","- C45 H39.5 Br3 Mn N3 O3 -","- C180 H158 Br12 Mn4 N12 O12 -","4","2","","Mahammad, Ali; Dutta, Arpan; Biswas, Surajit; Dolai, Malay; shaw, Bikash kumar; saha, Shyamal Kumar; Mondal, Abhishake","Mononuclear manganese (III) complexes of bidentate NO donor Schiff base ligands: synthesis, structural characterization, magnetic and catecholase studies","RSC Adv.","2015","","","","","10.1039/C5RA00239G","","","0.71073","MoKα","","0.165","0.0804","","","0.1905","0.1689","","","","","","0.992","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219638","8.8296","0.0015","12.345","0.002","20.44","0.004","76.581","0.005","85.576","0.006","70.17","0.005","2038.7","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Br3 Cl3 Mn N3 O3 -","- C42 H30 Br3 Cl3 Mn N3 O3 -","- C84 H60 Br6 Cl6 Mn2 N6 O6 -","2","1","","Mahammad, Ali; Dutta, Arpan; Biswas, Surajit; Dolai, Malay; shaw, Bikash kumar; saha, Shyamal Kumar; Mondal, Abhishake","Mononuclear manganese (III) complexes of bidentate NO donor Schiff base ligands: synthesis, structural characterization, magnetic and catecholase studies","RSC Adv.","2015","","","","","10.1039/C5RA00239G","","","0.71073","MoKα","","0.1199","0.0689","","","0.1471","0.1786","","","","","","1.011","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219639","5.2162","0.0004","12.3693","0.0009","13.1192","0.0009","90","","99.065","0.003","90","","835.89","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine form I","2-methyl-4-amino-quinoline form I","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.1001","0.1062","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219641","8.2583","0.0007","9.0938","0.0007","9.1385","0.0007","88.094","0.005","77.372","0.005","80.171","0.005","659.86","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-bromopyridine)","","- C12 H8 Br Cl N2 O4 -","- C12 H8 Br Cl N2 O4 -","- C24 H16 Br2 Cl2 N4 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0727","0.0562","","","0.1446","0.1579","","","","","","1.007","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219642","9.8994","0.0003","11.937","0.0004","13.4905","0.0006","110.222","0.002","96.641","0.002","107.059","0.001","1387.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-bromopyridine)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C48 H36 Br4 Cl4 N12 O16 -","4","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0513","0.0385","","","0.1038","0.1081","","","","","","0.993","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219643","7.0984","0.0002","24.0534","0.0007","15.7748","0.0005","90","","93.424","0.002","90","","2688.59","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-chloropyridine)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C96 H72 Cl16 N24 O32 -","8","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0516","0.0344","","","0.0818","0.0873","","","","","","0.985","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219645","6.435","0.0002","10.3354","0.0003","11.2546","0.0004","98.577","0.002","105.074","0.001","98.022","0.002","702.11","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-3-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0333","0.0279","","","0.0709","0.0729","","","","","","0.986","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219646","6.1583","0.0002","9.9176","0.0002","11.1477","0.0003","83.332","0.002","76.262","0.001","77.053","0.001","643.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-chloro-3-hydroxypyridine)","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0389","0.0281","","","0.0723","0.0783","","","","","","1.014","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219647","3.9305","0.0002","12.4261","0.0006","13.8457","0.0007","94.312","0.002","91.431","0.002","96.374","0.002","669.77","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0375","0.029","","","0.0661","0.0689","","","","","","0.907","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7219648","3.8601","0.0002","12.3629","0.0006","13.9025","0.0007","93.742","0.002","91.893","0.002","96.066","0.002","657.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-chloropyridinium)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0642","0.0422","","","0.0896","0.0978","","","","","","0.92","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219649","15.5907","0.0012","25.242","0.002","7.1987","0.0006","90","","100.654","0.005","90","","2784.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0591","0.0381","","","0.0933","0.1016","","","","","","0.982","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219651","5.6328","0.0007","7.7579","0.0009","28.178","0.004","90","","92.324","0.007","90","","1230.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenyl thiourea","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0562","0.0428","","","0.1002","0.1066","","","","","","1.024","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219653","8.2109","0.0005","25.4709","0.0018","12.5244","0.0009","90","","96.054","0.002","90","","2604.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(4-nitrophenyl)thiourea","","","- C13 H10 N4 O4 S -","- C13 H10 N4 O4 S -","- C104 H80 N32 O32 S8 -","8","2","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0569","0.0502","","","0.1416","0.1463","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219654","8.41","0.006","24.362","0.018","11.143","0.008","90","","106.286","0.007","90","","2191","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitropheny)-3-phenylurea TEACl","","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.057","0.045","","","","0.046","","","","","","1.831","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219655","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.051","0.035","","","","0.045","","","","","","1.746","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219656","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","1,3-bis(4-nitrophenyl)thiourea TEA CL","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.056","0.04","","","","0.057","0.054","","","","","2.556","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219657","8.393","0.002","24.366","0.006","11.151","0.003","90","","106.57","0.005","90","","2185.7","1","100","2","100","2","","","","","","","Isabelle L Kirby","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenylurea with TEACl","1-(4-nitrophenyl)-3-phenylurea with TEACl","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0869","0.0714","","","0.1555","0.1654","","","","","","1.096","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219658","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","Isabelle Kirby","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0341","0.0336","","","0.1082","0.1088","","","","","","1.289","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219659","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0444","0.0436","","","0.1371","0.1377","","","","","","1.632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219660","8.8013","0.0004","9.2025","0.0004","10.1004","0.0005","107.833","0.003","93.71","0.004","114.352","0.003","692.06","0.06","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","1,6-bis(pyrazol-3(5)-yl)hexane","","- C12 H20 N4 O -","- C12 H20 N4 O -","- C24 H40 N8 O2 -","2","1","","Ahmed, Basil Mohammed; Mezei, Gellert","Green Protection of Pyrazole, Thermal Isomerization and Deprotection of Tetrahydropyranylpyrazoles, and High-Yield, One-Pot Synthesis of 3(5)-Alkylpyrazoles","RSC Adv.","2015","","","","","10.1039/C5RA00837A","","","0.71073","MoKα","","0.0835","0.0473","","","0.1275","0.1577","","","","","","0.955","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219661","8.7407","0.0005","9.4611","0.0005","29.7","0.0015","92.436","0.003","91.591","0.003","104.178","0.003","2377.3","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","5-n-hexadecyl-1-(tetrahydropyran-2-yl)pyrazole","","- C24 H44 N2 O -","- C24 H44 N2 O -","- C96 H176 N8 O4 -","4","2","","Ahmed, Basil Mohammed; Mezei, Gellert","Green Protection of Pyrazole, Thermal Isomerization and Deprotection of Tetrahydropyranylpyrazoles, and High-Yield, One-Pot Synthesis of 3(5)-Alkylpyrazoles","RSC Adv.","2015","","","","","10.1039/C5RA00837A","","","0.71073","MoKα","","0.0696","0.0422","","","0.1055","0.1253","","","","","","1.015","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219662","8.5318","0.0005","10.1614","0.0007","14.1611","0.001","70.47","0.002","88.224","0.002","87.397","0.002","1155.71","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C50 H48 O14 S2 -","2","1","","Shen, Yu-Ning; Lin, Lin; Qiu, Han-Yue; Zou, Wen-Yan; Qian, Yong; Zhu, Hai-Liang","The Design, Synthesis, in vitro Biological Evaluation and Molecular Modeling of Novel Benzenesulfonate Derivatives Bearing Chalcone Moieties as Potent Anti-microtubulin Polymerization Agents","RSC Adv.","2015","","","","","10.1039/C4RA12108B","","","0.71073","MoKα","","0.0622","0.0444","","","0.1106","0.1219","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7219663","10.2341","0.0015","10.4857","0.0016","10.2341","0.0015","90","","116.97","","90","","978.8","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","sinuflexolide","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Chen, Wen-Ting; Li, J.; Wang, Jian-Rong; Li, Xu-Wen; Guo, Yue-Wei","Structural diversity of terpenoids in the Soft Coral Sinularia flexibilis, evidence by a collection from the South China Sea","RSC Adv.","2015","","","","","10.1039/C5RA01151E","","","1.54178","CuKα","","0.0557","0.0528","","","0.1362","0.1416","","","","","","1.076","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219664","17.9396","0.0013","8.5245","0.0007","24.5138","0.0019","90","","98.789","0.008","90","","3704.8","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sinulaflexiolide L","","- C40 H66 O11 -","- C40 H64 O10.5 -","- C160 H256 O42 -","4","1","","Chen, Wen-Ting; Li, J.; Wang, Jian-Rong; Li, Xu-Wen; Guo, Yue-Wei","Structural diversity of terpenoids in the Soft Coral Sinularia flexibilis, evidence by a collection from the South China Sea","RSC Adv.","2015","","","","","10.1039/C5RA01151E","","","0.71073","MoKα","","0.1093","0.0527","","","0.0946","0.1219","","","","","","0.966","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219665","8.194","0.002","11.411","0.003","12.541","0.003","90","","99.915","0.003","90","","1155.1","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H24 Ca2 Cl2 N14 O12 -","- C4 H24 Ca2 Cl2 N14 O12 -","- C8 H48 Ca4 Cl4 N28 O24 -","2","0.5","","Tong, Wenchao; Zhang, Rui; Zhang, Tonglai; Yang, Li","Seven rings, eight-coordinated binuclear chelate: [Ca2(SCZ)4(NO3)2(H2O)2]Cl2(SCZ = semicarbazide)","RSC Adv.","2015","5","28","22031","","10.1039/C5RA00719D","","","0.71073","MoKα","","0.0486","0.0377","","","0.0838","0.0903","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7219666","18.6171","0.0005","18.6171","0.0005","36.5398","0.0013","90","","90","","90","","12664.6","0.7","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C90 H72 N18 Ni3 O62 P2 W18 -","- C90 H72 N18 Ni3 O62 P2 W18 -","- C360 H288 N72 Ni12 O248 P8 W72 -","4","1","","Zhang, Lei; Shan, Bingqian; Yang, Hongxun; Wu, Dongshuang; Zhu, Rui; Nie, Jianhang; Cao, Rong","A new heterogeneous photocatalyst based on Wells-Dawson polyoxometalate and nickel coordination compounds: synthesis, structure and property","RSC Adv.","2015","","","","","10.1039/C4RA15932B","","","0.71073","MoKα","","0.0484","0.0448","","","0.0995","0.1017","","","","","","1.139","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219667","8.804","0.0016","10.9952","0.0019","18.299","0.003","90","","97.334","0.003","90","","1756.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Yang, Dong; Mao, Shuai; Gao, Ya-Ru; Guo, Dong-Dong; Guo, Shi-Huan; Li, Bin; Wang, Yong-Qiang","Palladium-Catalyzed C-7 Alkenylation of Indolines Using Molecular Oxygen as the Sole Oxidant","RSC Adv.","2015","","","","","10.1039/C5RA02245B","","","0.71073","MoKα","","0.059","0.0389","","","0.092","0.104","","","","","","1.017","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219668","9.0332","0.0018","10.971","0.002","17.316","0.003","90","","90","","90","","1716.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Yang, Dong; Mao, Shuai; Gao, Ya-Ru; Guo, Dong-Dong; Guo, Shi-Huan; Li, Bin; Wang, Yong-Qiang","Palladium-Catalyzed C-7 Alkenylation of Indolines Using Molecular Oxygen as the Sole Oxidant","RSC Adv.","2015","","","","","10.1039/C5RA02245B","","","0.71073","MoKα","","0.0343","0.031","","","0.0736","0.0755","","","","","","1.027","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219669","8.1858","0.0002","11.5886","0.0002","12.1497","0.0002","90","","108.44","0.001","90","","1093.37","0.04","296","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0433","0.0409","","","0.1071","0.1087","","","","","","1.069","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219670","8.0741","0.0002","8.8856","0.0002","10.7962","0.0003","94.179","0.001","107.25","0.001","108.943","0.001","687.28","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0333","","","0.0854","0.088","","","","","","1.081","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219671","8.1184","0.0002","9.9587","0.0003","10.905","0.0003","106.597","0.002","108.702","0.001","100.101","0.002","764.91","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0449","0.0421","","","0.1199","0.1237","","","","","","1.097","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219672","10.8407","0.0002","7.9198","0.0002","17.3513","0.0004","90","","96.968","0.001","90","","1478.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene pyrrolidine disolvate","","- C32 H36 N2 O2 S4 -","- C32 H36 N2 O2 S4 -","- C64 H72 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0357","","","0.0959","0.097","","","","","","1.061","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219673","7.9103","0.0001","8.5838","0.0002","11.5231","0.0002","109.713","0.001","90.629","0.001","115.931","0.001","650.7","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene dioxane solvate","","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0349","0.0324","","","0.0785","0.0795","","","","","","1.042","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219674","8.3478","0.0018","8.0618","0.0017","32.729","0.007","90","","90.315","0.006","90","","2202.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.1203","0.0556","","","0.1037","0.12","","","","","","0.938","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219675","8.2873","0.001","10.6627","0.0012","12.9725","0.0018","97.625","0.007","107.153","0.007","93.365","0.009","1079.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.045","0.0356","","","0.0843","0.0886","","","","","","1.06","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219676","10.6246","0.0003","12.9366","0.0003","16.5166","0.0005","107.177","0.001","93.355","0.002","97.558","0.001","2138.65","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","2","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0994","0.0378","","","0.1076","0.1194","","","","","","0.939","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219677","7.7444","0.0007","8.2359","0.0008","8.8697","0.0008","66.62","0.009","71.005","0.008","82.957","0.008","490.99","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-adipate)-bis(pyridine-4-aldoxime)copper(II)}","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","1","0.5","","Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.","Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}","CrystEngComm","2015","17","12","2450","","10.1039/C4CE02444C","","","0.71073","MoKα","","0.0434","0.0393","","","0.0948","0.1","","","","","","0.999","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219678","17.621","0.003","15.958","0.003","8.7728","0.0018","90","","90","","90","","2466.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","complex 1","","- C3 H2 N5 O4 Zn -","- C3 H2 N5 O4 Zn -","- C24 H16 N40 O32 Zn8 -","8","1","","Chen, Rong-Ying; Tian, Dan; Li, Yunwu; Lv, Ying-Bin; Sun, Hong Wei; Chang, Ze; Bu, Xian-He","A new anionic metal-organic framework showing tunable emission by lanthanide(III) doping and high selective CO2adsorption properties","RSC Adv.","2015","","","","","10.1039/C5RA02935J","","","0.71073","MoKα","","0.0923","0.0581","","","0.1416","0.156","","","","","","1.093","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219680","8.3591","0.0003","10.4196","0.0007","19.0455","0.0009","88.407","0.005","88.481","0.003","76.34","0.004","1610.95","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","1","0.5","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0749","0.0468","","","0.1082","0.1247","","","","","","0.991","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219681","8.404","0.0005","11.693","0.001","15.24","0.001","97.881","0.006","93.354","0.005","96.81","0.006","1468.73","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1557","0.0705","","","0.1271","0.1574","","","","","","1.01","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219682","9.188","0.005","13.284","0.007","14.477","0.008","68.21","0.05","81.24","0.04","75.69","0.04","1586.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1287","0.0654","","","0.1146","0.1365","","","","","","1.038","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219685","14.0897","0.0003","4.8183","0.0001","22.6757","0.0003","90","","90.607","0.002","90","","1539.33","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0497","0.0465","","","0.1249","0.1289","","","","","","1.077","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219688","14.2831","0.0002","29.8625","0.0004","18.2631","0.0003","90","","106.968","0.0017","90","","7450.6","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H74 Ce2 N4 O24 -","- C81 H67 Ce2 N4 O24 -","- C324 H268 Ce8 N16 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0449","0.038","","","0.1012","0.1063","","","","","","1.029","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219689","14.26463","0.00015","29.8504","0.0003","18.2812","0.0002","90","","107.012","0.0012","90","","7443.61","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Pr2 -","- C79.5 H63.5 N3.5 O24 Pr2 -","- C318 H254 N14 O96 Pr8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0514","0.0369","","","0.0812","0.0873","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219690","14.21191","0.00016","29.7396","0.0003","18.3087","0.0003","90","","107.002","0.0014","90","","7400.11","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 Nd2 O24 -","- C79.5 H63 N3.5 Nd2 O24 -","- C318 H252 N14 Nd8 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0558","0.0409","","","0.0988","0.1067","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219691","14.1785","0.0002","29.6106","0.0004","18.3573","0.0003","90","","107.029","0.0017","90","","7369.1","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Sm2 -","- C79.5 H64 N3.5 O24 Sm2 -","- C318 H256 N14 O96 Sm8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.062","0.0393","","","0.0829","0.0917","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219692","14.1379","0.00015","29.5535","0.0003","18.3735","0.0003","90","","107.03","0.0013","90","","7340.29","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Eu2 N3.5 O24 -","- C79.5 H66 Eu2 N3.5 O24 -","- C318 H264 Eu8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0475","0.0356","","","0.0762","0.081","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219693","14.1188","0.00017","29.5116","0.0003","18.3851","0.0003","90","","107.017","0.0014","90","","7325.1","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Gd2 N3.5 O24 -","- C79.5 H67 Gd2 N3.5 O24 -","- C318 H268 Gd8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0477","0.0342","","","0.0746","0.0802","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219694","14.0878","0.0003","29.4702","0.0007","18.4237","0.0004","90","","107.034","0.002","90","","7313.4","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Tb2 -","- C79.5 H66 N3.5 O24 Tb2 -","- C318 H264 N14 O96 Tb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0658","0.0387","","","0.0787","0.0872","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219695","14.042","0.003","29.367","0.006","18.456","0.004","90","","107.15","0.03","90","","7272","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Ho2 N3 O25 -","- C78 H69 Ho2 N3 O25 -","- C312 H276 Ho8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.71073","MoKα","","0.0824","0.0686","","","0.1334","0.1402","","","","","","1.168","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219696","14.0233","0.0004","29.311","0.0008","18.4183","0.0009","90","","107.095","0.004","90","","7236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Er2 N3 O25 -","- C78 H69 Er2 N3 O25 -","- C312 H276 Er8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0453","0.0358","","","0.0901","0.0954","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219697","14.0088","0.0004","29.2317","0.0006","18.4902","0.0005","90","","107.187","0.003","90","","7233.6","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 N3 O25 Yb2 -","- C78 H67 N3 O25 Yb2 -","- C312 H268 N12 O100 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.1236","0.0654","","","0.0991","0.1177","","","","","","1.008","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219701","7.4117","0.0004","12.1658","0.0006","14.2115","0.0007","85.918","0.003","77.087","0.003","77.944","0.003","1221.08","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O8 -","- C27 H25 N3 O8 -","- C54 H50 N6 O16 -","2","1","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.0693","0.0454","","","0.1023","0.1167","","","","","","1.024","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219702","41.1895","0.0011","20.6334","0.0004","27.0979","0.0008","90","","129.772","0.003","90","","17700.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H102 Cl6 Cu3 N18 O48 -","- C120 H102 Cl6 Cu3 N18 O48 -","- C480 H408 Cl24 Cu12 N72 O192 -","4","0.5","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.1775","0.0942","","","0.2682","0.2965","","","","","","0.951","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219708","23.4076","0.001","10.6422","0.0003","8.9673","0.0003","90","","90","","90","","2233.83","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Ferrocenyl-3-phenyl-1-m-tolyltetrahydropyrimidin-2(1H)-one","","- C27 H26 Fe N2 O -","- C27 H26 Fe N2 O -","- C108 H104 Fe4 N8 O4 -","4","1","","Minic, Aleksandra; Stevanovic, Dragana; Damljanovic, Ivan; Pejovic, Anka; Vukicevic, Mirjana; Bogdanovic, Goran A.; Radulović, Niko S; Vukicevic, Rastko D.","Synthesis of ferrocene-containing six-membered cyclic ureas via α-ferrocenyl carbocations","RSC Adv.","2015","","","","","10.1039/C5RA01383F","","","0.71073","MoKα","","0.0518","0.0402","","","0.0989","0.1059","","","","","","1.044","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219709","8.9564","0.0004","11.9843","0.0005","22.8058","0.001","79.735","0.004","88.568","0.004","89.935","0.004","2407.94","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Ferrocenyl-3-phenyl-1-(2,4,6-trimethylphenyl) tetrahydropyrimidin-2(1H)-one","","- C29 H30 Fe N2 O -","- C29 H30 Fe N2 O -","- C116 H120 Fe4 N8 O4 -","4","2","","Minic, Aleksandra; Stevanovic, Dragana; Damljanovic, Ivan; Pejovic, Anka; Vukicevic, Mirjana; Bogdanovic, Goran A.; Radulović, Niko S; Vukicevic, Rastko D.","Synthesis of ferrocene-containing six-membered cyclic ureas via α-ferrocenyl carbocations","RSC Adv.","2015","","","","","10.1039/C5RA01383F","","","0.71073","MoKα","","0.1426","0.1094","","","0.3031","0.3192","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219710","10.7705","0.0012","11.6006","0.0012","20.017","0.002","80.035","0.004","89.067","0.005","63.258","0.004","2194.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H69 O16 P Ti4 -","- C28 H69 O16 P Ti4 -","- C56 H138 O32 P2 Ti8 -","2","1","","Seisenbaeva, Gulaim A.; Melnyk, Inna V.; Hedin, Niklas; Chen, Yang; Eriksson, Philip; Trzop, Elzbieta; Zub, Yuriy L.; Kessler, Vadim G.","Molecular Insight into the Mode-of-action of Phosphonate Monolayers as Active Functions of Hybrid Metal Oxide Adsorbents. Case study in Sequestration of Rare Earth Elements","RSC Adv.","2015","","","","","10.1039/C4RA15531A","","","0.71073","MoKα","","0.1011","0.0635","","","0.1673","0.1982","","","","","","1.012","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219711","11.8405","0.0004","13.7396","0.0005","17.3724","0.0006","77.9838","0.001","73.2551","0.001","88.8981","0.0011","2644.56","0.16","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H172 N2 O40 P2 Ti10 -","- C68 H172 N2 O40 P2 Ti10 -","- C68 H172 N2 O40 P2 Ti10 -","1","0.5","","Seisenbaeva, Gulaim A.; Melnyk, Inna V.; Hedin, Niklas; Chen, Yang; Eriksson, Philip; Trzop, Elzbieta; Zub, Yuriy L.; Kessler, Vadim G.","Molecular Insight into the Mode-of-action of Phosphonate Monolayers as Active Functions of Hybrid Metal Oxide Adsorbents. Case study in Sequestration of Rare Earth Elements","RSC Adv.","2015","","","","","10.1039/C4RA15531A","","","0.71073","MoKα","","0.0761","0.0506","","","0.1151","0.1324","","","","","","1.051","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219712","8.6433","0.0012","11.2513","0.0015","21.811","0.003","104.47","0.003","91.909","0.003","93.409","0.003","2047.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu2 I4 O10 -","- C36 H32 Cu2 I4 O10 -","- C72 H64 Cu4 I8 O20 -","2","1","","Wang, Changsheng; Wang, Hao-Yang; Yao, Cheng","Copper-Catalyzed Trifluoromethylation of Organic Zinc Reagents with Electrophilic Trifluoromethylating Reagent","RSC Adv.","2015","","","","","10.1039/C5RA02279G","","","0.71073","MoKα","","0.0693","0.0535","","","0.1552","0.1691","","","","","","1.037","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219715","12.1946","0.0007","12.5819","0.0009","14.6838","0.0009","72.43","0.004","69.157","0.004","62.887","0.004","1847.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","ch14268","Compound 3","","- C72 H44 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.1123","0.0563","","","0.1435","0.1966","","","","","","1.026","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219716","13.498","0.014","15.22","0.016","20.51","0.02","90.775","0.013","97.172","0.018","111.158","0.013","3891","7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","a15483","Compound 4","","- C114 H162 Mn6 N26 O52 S12 -","- C84 H72 Mn6 N16 O32 S12 -","- C84 H72 Mn6 N16 O32 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.2078","0.088","","","0.1794","0.1978","","","","","","0.912","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219717","22.739","0.005","16.038","0.003","9.7046","0.0019","90","","94","0.03","90","","3530.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","i14732","Compound 5","","- C28 H34 Mn2 N4 O15 S4 -","- C27.98 H29.94 Mn2 N4 O14.98 S4 -","- C111.92 H119.76 Mn8 N16 O59.92 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0503","0.0401","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219722","8.221","0.005","14.202","0.005","16.421","0.005","90","0.005","97.171","0.005","90","0.005","1902.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(pap)Cl2]","","- C20 H18 Cl2 Cu N4 -","- C20 H18 Cl2 Cu N4 -","- C80 H72 Cl8 Cu4 N16 -","4","1","","Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech","Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer","RSC Adv.","2015","","","","","10.1039/C5RA02063H","","","0.71069","MoKα","","0.0694","0.0531","","","0.1454","0.1601","","","","","","1.087","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219723","8.733","0.005","12.221","0.005","13.101","0.005","64.207","0.005","74.485","0.005","85.967","0.005","1211.3","1","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H18 Cl2 Co N4 -","- C20 H18 Cl2 Co N4 -","- C40 H36 Cl4 Co2 N8 -","2","1","","Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech","Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer","RSC Adv.","2015","","","","","10.1039/C5RA02063H","","x-ray","1.5418","CuKα","","0.0573","0.043","","","0.1094","0.1163","","","","","","1.079","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219724","11.668","0.0002","11.98","0.0002","13.551","0.0002","110.919","0.001","107.137","0.001","100.586","0.001","1599.77","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 3","","","- C28 H39 Cu N4 O13 -","- C28 H40 Cu N4 O13 -","- C56 H80 Cu2 N8 O26 -","2","1","","Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech","Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer","RSC Adv.","2015","","","","","10.1039/C5RA02063H","","","0.71073","MoKα","","0.0333","0.03","","","0.0764","0.0789","","","","5.621","5.621","1.051","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219725","11.611","0.0002","12.027","0.0003","13.771","0.0003","111.188","0.001","107.07","0.001","102.238","0.001","1601.22","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 4","","","- C28 H39 Co N4 O13 -","- C28 H40 Co N4 O13 -","- C56 H80 Co2 N8 O26 -","2","1","","Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech","Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer","RSC Adv.","2015","","","","","10.1039/C5RA02063H","","","0.71073","MoKα","","0.0378","0.0316","","","0.0791","0.0827","","","","11.537","11.537","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219726","10.8607","0.0004","10.3695","0.0005","20.7248","0.0009","90","","96.103","0.003","90","","2320.8","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5","","- C24 H27.2 Co N4 O6.6 -","- C24 H24 Co N4 O6.6 -","- C96 H96 Co4 N16 O26.4 -","4","1","","Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech","Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer","RSC Adv.","2015","","","","","10.1039/C5RA02063H","","","0.71073","MoKα","","0.0891","0.0541","","","0.1214","0.1409","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219727","10.1894","0.0013","10.3988","0.0013","21.838","0.002","92.912","0.009","103.316","0.01","111.412","0.012","2072.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O11 Zn -","- C48 H36 N4 O11 Zn -","- C96 H72 N8 O22 Zn2 -","2","1","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.147","0.0647","","","0.0746","0.1058","","","","","","0.932","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219728","9.9601","0.0005","32.5682","0.0013","12.23","0.0005","90","","107.435","0.002","90","","3784.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66 Co3 N6 O24 -","- C86 H66 Co3 N6 O24 -","- C172 H132 Co6 N12 O48 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0633","0.0414","","","0.0831","0.0933","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219729","12.3741","0.0006","11.3562","0.0005","13.6838","0.0008","90","","107.309","0.002","90","","1835.81","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0639","0.0437","","","0.0951","0.1084","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219730","5.4081","0.0002","15.5202","0.0008","13.3407","0.0006","90","","100.649","0.002","90","","1100.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-bis(3-methylimidazolium-1-yl)","1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate","","- C16 H28 B2 F8 N4 -","- C16 H28 B2 F8 N4 -","- C32 H56 B4 F16 N8 -","2","0.5","","Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P.","Energetic and topological insights into the supramolecular structure of dicationic ionic liquids","CrystEngComm","2015","17","15","2996","","10.1039/C5CE00073D","","","0.71073","MoKα","","0.0974","0.0686","","","0.2104","0.2399","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219731","13.1357","0.0004","16.6865","0.0005","26.3032","0.0006","84.426","0.002","84.995","0.002","66.972","0.003","5273.2","0.3","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 As2 N15 Na2 Ni2 O91 W19 -","- C5 As2 N15 Na2 Ni2 O91 W19 -","- C10 As4 N30 Na4 Ni4 O182 W38 -","2","1","","Saini, Mukesh; Gupta, Rakesh; Singh, Surendra; Hussain, Firasat","Synthesis, crystal structure and catalytic activity of Guanidinium cation directed Nickel (II)-containing open Wells‒Dawson 19-tungstodiarsenate (III) [{Ni(H2O)4}2{Na(H2O)}As2W19O67(H2O)]9-","RSC Adv.","2015","","","","","10.1039/C5RA01426C","","","0.71073","MoKα","","0.055","0.045","","","0.1024","0.1069","","","","","","1.056","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219732","11.0471","0.0004","18.9631","0.0007","22.9273","0.0008","90","","100.077","0.002","90","","4728.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_24_11_14","","","- C56 H56 N6 O4 -","- C56 H56 N6 O4 -","- C224 H224 N24 O16 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","1.54178","","","0.1282","0.0581","","","0.1396","0.1739","","","","","","1.023","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219733","22.2297","0.0008","11.6884","0.0005","15.5606","0.0006","90","","90","","90","","4043.1","0.3","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","Hamada_K3_ppt3_22_06_14","","","- C50 H40 Cl2 N4 O2 -","- C50 H40 Cl2 N4 O2 -","- C200 H160 Cl8 N16 O8 -","4","0.5","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","1.54178","","","0.0719","0.0498","","","0.1273","0.1463","","","","","","1.035","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219734","11.4329","0.0004","13.7041","0.0005","15.7697","0.0005","66.387","0.002","82.782","0.002","89.224","0.002","2244.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","K6","","","- C53 H47 Cl2 N5 O3 -","- C53 H47 Cl2 N5 O3 -","- C106 H94 Cl4 N10 O6 -","2","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","1.54178","","","0.0589","0.0453","","","0.144","0.1709","","","","","","0.674","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219735","13.155","0.0019","14.042","0.002","13.208","0.002","90","","119.47","0.009","90","","2124.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N2 O -","- C26 H22 Cl N2 O -","- C104 H88 Cl4 N8 O4 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","0.71075","MoKα","","","0.0467","","","","0.1361","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219736","13.204","0.005","9.77","0.004","16.496","0.006","90","","107.826","0.008","90","","2025.9","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N3 O3 -","- C25 H20 N3 O3 -","- C100 H80 N12 O12 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM","Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition","RSC Adv.","2015","","","","","10.1039/C5RA02972D","","","0.71075","MoKα","","","0.0664","","","","0.1864","","","","","","0.961","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219737","18.7958","0.0009","8.2622","0.0004","18.855","0.0008","90","","90","","90","","2928.1","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N2 Ni1.5 O9 P2 -","- C9 H19 N2 Ni1.5 O9 P2 -","- C72 H152 N16 Ni12 O72 P16 -","8","1","","Sun, Tong; Jiao, Cheng‒Qi; Li, Wen-Zhu; Sun, Zhen-Gang; Ma, Chao; Zhu, Yanyu; Ma, Ming-Xue; Luo, Hui; Zhang, Xiao-Wen; Wang, Mei-Ling","Mixed‒solvothermal synthesis, structures, surface photovoltage, luminescence and molecular recognition properties of three new transition metal phosphonates with 3D framework and supramolecular structures","RSC Adv.","2015","","","","","10.1039/C5RA00197H","","","0.71073","MoKα","","0.0931","0.067","","","0.1568","0.186","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219738","9.9975","0.0008","9.1275","0.0007","30.548","0.003","90","","97.544","0.002","90","","2763.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N3 O17 P4 Zn2 -","- C16 H29 N3 O17 P4 Zn2 -","- C64 H116 N12 O68 P16 Zn8 -","4","1","","Sun, Tong; Jiao, Cheng‒Qi; Li, Wen-Zhu; Sun, Zhen-Gang; Ma, Chao; Zhu, Yanyu; Ma, Ming-Xue; Luo, Hui; Zhang, Xiao-Wen; Wang, Mei-Ling","Mixed‒solvothermal synthesis, structures, surface photovoltage, luminescence and molecular recognition properties of three new transition metal phosphonates with 3D framework and supramolecular structures","RSC Adv.","2015","","","","","10.1039/C5RA00197H","","","0.71073","MoKα","","0.1152","0.0778","","","0.1848","0.2067","","","","","","1.024","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219739","7.5805","0.0012","17.674","0.003","13.27","0.002","90","","90.756","0.002","90","","1777.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd Cl2 N4 -","- C18 H14 Cd Cl2 N4 -","- C72 H56 Cd4 Cl8 N16 -","4","1","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0769","0.042","","","0.0806","0.0965","","","","","","1.014","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219740","11.773","0.0013","19.686","0.002","9.4109","0.001","90","","107.028","0.001","90","","2085.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd2 Cl3 N4 O2 -","- C18 H12 Cd2 Cl3 N4 O2 -","- C72 H48 Cd8 Cl12 N16 O8 -","4","1","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0955","0.0475","","","0.1013","0.1217","","","","","","1.003","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219741","12.9","0.004","13.916","0.004","21.676","0.007","90","","98.187","0.004","90","","3852","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H58 Cd4 Cl4 N20 O3 -","- C74 H58 Cd4 Cl4 N20 O3 -","- C148 H116 Cd8 Cl8 N40 O6 -","2","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0927","0.0518","","","0.1177","0.1421","","","","","","1.018","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219742","20.685","0.003","12.3021","0.0016","13.736","0.0018","90","","125.501","0.001","90","","2845.6","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cd2 Cl4 N6 O -","- C24 H18 Cd2 Cl4 N6 O -","- C96 H72 Cd8 Cl16 N24 O4 -","4","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.046","0.0365","","","0.1007","0.1082","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219743","9.471","0.005","10.437","0.006","13.576","0.008","72.174","0.007","78.698","0.007","81.504","0.007","1247.2","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cd2 Cl4 N12 -","- C48 H32 Cd2 Cl4 N12 -","- C48 H32 Cd2 Cl4 N12 -","1","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0857","0.059","","","0.1372","0.1724","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219744","19.5538","0.0015","16.2417","0.0012","27.985","0.002","90","","94.863","0.001","90","","8855.7","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 Cd7 Cl14 N18 O2 -","- C72 H66 Cd7 Cl14 N18 O2 -","- C288 H264 Cd28 Cl56 N72 O8 -","4","1","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.1228","0.0554","","","0.1302","0.1642","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219745","9.516","0.0008","10.9133","0.0009","12.1129","0.001","94.787","0.002","90.019","0.002","108.44","0.002","1188.71","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Cd2 Cl2 N12 O4 -","- C50 H42 Cd2 Cl2 N12 O4 -","- C50 H42 Cd2 Cl2 N12 O4 -","1","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0853","0.0552","","","0.1253","0.1445","","","","","","1.08","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219746","24.137","0.004","15.255","0.004","23.41","0.006","90","","114.065","0.005","90","","7871","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Cd2 Cl4 N8 O -","- C37 H31 Cd2 Cl4 N8 O -","- C296 H248 Cd16 Cl32 N64 O8 -","8","1","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.1484","0.0544","","","0.0996","0.129","","","","","","0.974","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219747","9.617","0.015","9.698","0.016","10.175","0.016","89.54","0.03","79.24","0.02","86.21","0.03","930","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cd2 Cl4 N8 -","- C36 H26 Cd2 Cl4 N8 -","- C36 H26 Cd2 Cl4 N8 -","1","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0832","0.0592","","","0.1445","0.159","","","","","","1.017","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219748","7.3515","0.001","9.4349","0.0012","12.653","0.0016","100.021","0.002","102.22","0.002","112.091","0.002","762.96","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cd2 Cl4 N6 O2 -","- C26 H30 Cd2 Cl4 N6 O2 -","- C26 H30 Cd2 Cl4 N6 O2 -","1","0.5","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.0467","0.0381","","","0.0983","0.1058","","","","","","1.07","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219749","8.41","0.02","9.44","0.02","10.76","0.03","68.21","0.03","67.16","0.03","86.97","0.03","727","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd Cl N4 S -","- C14 H11 Cd Cl N4 S -","- C28 H22 Cd2 Cl2 N8 S2 -","2","1","","Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong","A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base","RSC Adv.","2015","","","","","10.1039/C4RA16198J","","","0.71073","MoKα","","0.1104","0.0656","","","0.2253","0.1774","","","","","","1.089","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219750","14.832","0.0004","4.8941","0.0002","23.934","0.0007","90","","108.015","0.002","90","","1652.18","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 172","N-benzyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","1","","Staroń, Jakub; Warszycki, Dawid; Kalinowska-Tłuścik, Justyna; Satała, Grzegorz; Bojarski, AJ","Rational design of 5-HT6R ligands using a bioisosteric strategy: Synthesis, biological evaluation and molecular modelling","RSC Adv.","2015","","","","","10.1039/C5RA00054H","","","0.71073","MoKα","","0.0736","0.0469","","","0.1076","0.1199","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219751","9.2516","0.0003","18.4177","0.0005","12.6426","0.0003","90","","128.998","0.002","90","","1674.19","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 180","2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-2,3-dihydro-1H-isoindole","","- C19 H22 N4 O2 -","- C19 H22 N4 O2 -","- C76 H88 N16 O8 -","4","1","","Staroń, Jakub; Warszycki, Dawid; Kalinowska-Tłuścik, Justyna; Satała, Grzegorz; Bojarski, AJ","Rational design of 5-HT6R ligands using a bioisosteric strategy: Synthesis, biological evaluation and molecular modelling","RSC Adv.","2015","","","","","10.1039/C5RA00054H","","","0.71073","MoKα","","0.0444","0.0378","","","0.0949","0.0993","","","","","","1.038","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219752","14.6428","0.0003","7.5669","0.0001","16.1976","0.0003","90","","100.828","0.002","90","","1762.75","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline","","- C20 H24 N4 O2 -","- C20 H24 N4 O2 -","- C80 H96 N16 O8 -","4","1","","Staroń, Jakub; Warszycki, Dawid; Kalinowska-Tłuścik, Justyna; Satała, Grzegorz; Bojarski, AJ","Rational design of 5-HT6R ligands using a bioisosteric strategy: Synthesis, biological evaluation and molecular modelling","RSC Adv.","2015","","","","","10.1039/C5RA00054H","","","1.54184","CuKα","","0.0465","0.0385","","","0.0989","0.1062","","","","","","1.054","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219753","9.5413","0.0002","10.1771","0.0002","11.0759","0.0002","105.049","0.002","92.969","0.002","114.71","0.001","927.62","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Compound 182","2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]-2,3,4,5-tetrahydro-1H-2-benzazepine","","- C21 H26 N4 O2 -","- C21 H26 N4 O2 -","- C42 H52 N8 O4 -","2","1","","Staroń, Jakub; Warszycki, Dawid; Kalinowska-Tłuścik, Justyna; Satała, Grzegorz; Bojarski, AJ","Rational design of 5-HT6R ligands using a bioisosteric strategy: Synthesis, biological evaluation and molecular modelling","RSC Adv.","2015","","","","","10.1039/C5RA00054H","","","0.71073","MoKα","","0.0377","0.0353","","","0.098","0.1006","","","","","","1.014","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219755","17.577","0.003","11.745","0.002","6.8516","0.0014","90","","98.07","0.01","90","","1400.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piroxicam: Form Alpha2","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.1357","0.1004","","","0.2381","0.2586","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219756","9.6098","0.0002","11.4528","0.0004","18.8441","0.0005","90","","90","","90","","2073.97","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 F6 N4 P -","- C18 H23 F6 N4 P -","- C72 H92 F24 N16 P4 -","4","1","","Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo","NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities","RSC Adv.","2015","","","","","10.1039/C5RA01706H","","","1.5418","CuKα","","0.0561","0.0496","","","0.1409","0.1494","","","","","","1.05","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219757","7.8169","0.0004","12.9702","0.0006","22.3383","0.001","90","","90","","90","","2264.81","0.19","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl F6 N4 P Pd -","- C18 H22 Cl F6 N4 P Pd -","- C72 H88 Cl4 F24 N16 P4 Pd4 -","4","1","","Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo","NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities","RSC Adv.","2015","","","","","10.1039/C5RA01706H","","","0.71073","MoKα","","0.0511","0.0416","","","0.0986","0.1045","","","","","","1.038","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219758","17.9227","0.0013","5.0106","0.0003","20.9309","0.0016","90","","114.168","0.009","90","","1714.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Li, Zhanxian; Zhang, Wenying; Liu, Xingjiang; Liu, Chunxia; Yu, Mingming; Wei, Liuhe","Naked-eye-based selective detection of pyrophosphate with Zn2+ complex in aqueous solution and electrospun nanofibers","RSC Adv.","2015","","","","","10.1039/C4RA16742B","","","0.71073","MoKα","","0.1041","0.0552","","","0.1305","0.1498","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219759","9.6068","0.001","9.8747","0.0015","11.0893","0.0014","95.233","0.012","102.357","0.01","90.567","0.011","1022.9","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 N2 O4 Zn -","- C20 H18 Cl2 N2 O4 Zn -","- C40 H36 Cl4 N4 O8 Zn2 -","2","1","","Li, Zhanxian; Zhang, Wenying; Liu, Xingjiang; Liu, Chunxia; Yu, Mingming; Wei, Liuhe","Naked-eye-based selective detection of pyrophosphate with Zn2+ complex in aqueous solution and electrospun nanofibers","RSC Adv.","2015","","","","","10.1039/C4RA16742B","","","1.54184","CuKα","","0.0951","0.0716","","","0.1889","0.2209","","","","","","0.994","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219760","12.2973","0.0012","13.6411","0.0013","15.1641","0.0015","90.433","0.001","91.711","0.001","92.506","0.001","2540.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl5 N6 O6 Zn4 -","- C45 H44 Cl5 N6 O6 Zn4 -","- C90 H88 Cl10 N12 O12 Zn8 -","2","1","","Zheng, Zhi-Peng; Wei, Qin; Yin, Wen-Xia; Wan, Lin-Tao; Huang, Xia; Yu, Ying; Cai, Prof. Yue-Peng","Two Schiff base ligands for distiguishing ZnII/CdIIsensing — effect of substituent on fluorecent sensing","RSC Adv.","2015","","","","","10.1039/C5RA00987A","","","0.71073","MoKα","","0.058","0.0385","","","0.0581","0.0609","","","","","","1.511","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219761","8.495","0.004","8.812","0.005","16.014","0.008","96.662","0.007","93.244","0.006","106.658","0.006","1135.6","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 Cd4 Cl6 N4 O6 S2 -","- C34 H42 Cd4 Cl6 N4 O6 S2 -","- C34 H42 Cd4 Cl6 N4 O6 S2 -","1","0.5","","Zheng, Zhi-Peng; Wei, Qin; Yin, Wen-Xia; Wan, Lin-Tao; Huang, Xia; Yu, Ying; Cai, Prof. Yue-Peng","Two Schiff base ligands for distiguishing ZnII/CdIIsensing — effect of substituent on fluorecent sensing","RSC Adv.","2015","","","","","10.1039/C5RA00987A","","","0.71073","MoKα","","0.1107","0.0894","","","0.2655","0.2751","","","","","","1.094","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219762","9.33","0.003","9.003","0.003","15.332","0.004","90","","103.388","0.004","90","","1252.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 N4 O2 Zn2 -","- C26 H22 Cl2 N4 O2 Zn2 -","- C52 H44 Cl4 N8 O4 Zn4 -","2","0.5","","Zheng, Zhi-Peng; Wei, Qin; Yin, Wen-Xia; Wan, Lin-Tao; Huang, Xia; Yu, Ying; Cai, Prof. Yue-Peng","Two Schiff base ligands for distiguishing ZnII/CdIIsensing — effect of substituent on fluorecent sensing","RSC Adv.","2015","","","","","10.1039/C5RA00987A","","","0.71073","MoKα","","0.0371","0.0276","","","0.0684","0.0721","","","","","","1.063","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219763","20.1807","0.001","14.3707","0.0007","29.3758","0.0012","90","","111.272","0.003","90","","7938.9","0.7","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C79 H71 Cd5 Cl4 N12 O7.5 -","- C79 H70 Cd5 Cl4 N12 O7.5 -","- C316 H280 Cd20 Cl16 N48 O30 -","4","1","","Zheng, Zhi-Peng; Wei, Qin; Yin, Wen-Xia; Wan, Lin-Tao; Huang, Xia; Yu, Ying; Cai, Prof. Yue-Peng","Two Schiff base ligands for distiguishing ZnII/CdIIsensing — effect of substituent on fluorecent sensing","RSC Adv.","2015","","","","","10.1039/C5RA00987A","","","0.71073","MoKα","","0.0688","0.0389","","","0.0793","0.092","","","","","","1.047","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7219764","11.973","0.00013","16.1952","0.0003","14.09653","0.00016","90","","93.4721","0.001","90","","2728.37","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl F2 N3 O2 -","- C31 H28 Cl F2 N3 O2 -","- C124 H112 Cl4 F8 N12 O8 -","4","1","","Girgis, AS; Panda, Siva S.; Aziz, Marian N.; Steel, Peter; Hall, Charles Dennis; Katritzky, Alan R.","Rational design, synthesis, and 2D-QSAR study of anti-oncological alkaloids against hepatoma and cervical carcinoma","RSC Adv.","2015","","","","","10.1039/C4RA16663A","","","1.54184","CuKα","","0.0431","0.0357","","","0.0897","0.0963","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219765","21.5694","0.0004","7.0397","0.0001","25.8262","0.0003","90","","90.325","0.001","90","","3921.44","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl4 N O -","- C21 H17 Cl4 N O -","- C168 H136 Cl32 N8 O8 -","8","1","","Girgis, AS; Panda, Siva S.; Aziz, Marian N.; Steel, Peter; Hall, Charles Dennis; Katritzky, Alan R.","Rational design, synthesis, and 2D-QSAR study of anti-oncological alkaloids against hepatoma and cervical carcinoma","RSC Adv.","2015","","","","","10.1039/C4RA16663A","","","1.54178","CuKα","","0.0326","0.0272","","","0.0706","0.0754","","","","","","1.012","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219766","6.7969","0.0003","14.0639","0.0006","9.4194","0.0004","90","","96.811","0.005","90","","894.05","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Huang, Wei; Zhao, Qian; Han, Bo; Wang, Biao; Leng, Hai-Jun; Peng, Cheng","Synthesis of functionalized γ-lactones via a three-component cascade reaction catalyzed by consecutive N-heterocyclic carbene systems","RSC Adv.","2015","","","","","10.1039/C5RA01254F","","","1.5418","CuKα","","0.0333","0.0317","","","0.0877","0.0894","","","","","","1.096","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219767","10.562","0.002","23.525","0.005","14.459","0.003","90","","105.93","0.03","90","","3454.7","1.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N18 O15 Sm -","- C21 H33 N18 O15 Sm -","- C84 H132 N72 O60 Sm4 -","4","1","","Chen, Dian Yu; Zou, Jian Hua; Yang, Gao-Wen; Li, Qiao-Yun; Yang, Jie; Shen, Lei","Synthesis, crystal structure and catalytic property of a new samarium compound derived from 5-(pyrazin-2-yl)tetrazole-2-acetic acid","RSC Adv.","2015","","","","","10.1039/C5RA03296B","","","0.71073","MoKα","","0.1132","0.0584","","","0.1396","0.1684","","","","","","0.949","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219768","9.8354","0.0005","13.4213","0.0008","16.8559","0.0009","95.977","0.004","103.638","0.004","102.512","0.004","2082.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","2","","Samanta, Sampak; Srivastava, Anvita; Biswas, Soumen; Singh, Shivendra; Shaikh, Mobin M.","Organocatalysed Michael addition on arylmethylidenemalonates involving 4-(2-nitrophenyl)acetoacetate : a diversity-oriented access to 8,9-dihydropyrido[1,2-a]indol-6(7H)-one and salicylate scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA01430A","","","0.71073","MoKα","","0.1252","0.0711","","","0.2285","0.2855","","","","","","1.042","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7219769","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219770","10.9995","0.0012","8.8942","0.001","11.9732","0.0014","90","","108.727","0.002","90","","1109.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br2 Cu N8 O2 -","- C18 H20 Br2 Cu N8 O2 -","- C36 H40 Br4 Cu2 N16 O4 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0489","0.0426","","","0.0918","0.0943","","","","","","1.075","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219771","10.4169","0.0009","21.292","0.002","10.4629","0.0009","90","","90.216","0.002","90","","2320.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cu F6 N8 O2 Si -","- C18 H24 Cu F6 N8 O2 Si -","- C72 H96 Cu4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0912","0.0829","","","0.1865","0.1907","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219772","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219774","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219775","6.512","0.001","6.901","0.001","9.328","0.002","95.448","0.01","108.706","0.008","108.09","0.008","368.51","0.12","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.027","0.026","","","0.0688","0.07","","","","","","1.092","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219776","12.1518","0.0008","18.1413","0.0011","9.5816","0.0006","90","","113.503","0.002","90","","1937","0.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 O18 -","- C10 H22 Cu2 O18 -","- C40 H88 Cu8 O72 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0266","0.0235","","","0.0593","0.0608","","","","","","1.084","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219778","7.7391","0.0015","10.6004","0.0019","10.6159","0.0019","112.867","0.01","90.411","0.013","104.192","0.01","772.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cu K2 O12 -","- C10 H8 Cu K2 O12 -","- C20 H16 Cu2 K4 O24 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.036","0.0285","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219779","6.894","0.0005","16.3377","0.0011","12.9381","0.0009","90","","99.666","0.002","90","","1436.56","0.17","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cu Na2 O12 -","- C10 H10 Cu Na2 O12 -","- C40 H40 Cu4 Na8 O48 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0208","0.0205","","","0.0564","0.0565","","","","","","1.157","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219780","11.3114","0.001","11.5464","0.001","11.7074","0.0011","80.13","0.002","66.441","0.002","71.052","0.002","1324.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1086","0.0735","","","0.1753","0.1927","","","","","","0.984","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219781","11.5053","0.0011","11.5543","0.0011","12.016","0.0011","78.671","0.002","64.251","0.002","71.747","0.002","1362.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0588","0.052","","","0.1342","0.1368","","","","","","1.055","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219782","8.2343","0.0007","19.5788","0.0016","10.9336","0.0009","90","","100.371","0.002","90","","1733.9","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu3 N12 O18 -","- C20 H46 Cu3 N12 O18 -","- C40 H92 Cu6 N24 O36 -","2","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0651","0.0451","","","0.0904","0.0981","","","","","","1.094","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219783","8.9464","0.0009","11.1622","0.0011","17.478","0.0017","82.36","0.002","81.293","0.002","82.365","0.002","1698.6","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1394","0.0638","","","0.121","0.1489","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219784","8.798","0.0003","10.648","0.0004","19.147","0.0008","94.84","0.003","90.453","0.003","110.355","0.004","1674.38","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cu2 N4 O11 -","- C33 H34 Cu2 N4 O11 -","- C66 H68 Cu4 N8 O22 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.075","0.0451","","","0.0963","0.1039","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219789","12.799","0.0019","6.5794","0.0008","25.265","0.004","90","","95.749","0.008","90","","2116.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0384","0.0319","","","0.0847","0.0887","","","","","","1.053","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219790","5.9148","0.0003","7.4926","0.0004","23.9195","0.0013","90","","93.722","0.002","90","","1057.81","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0299","0.0265","","","0.0744","0.078","","","","","","1.055","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219791","25.7588","0.0017","3.7207","0.0003","22.6104","0.0016","90","","90.424","0.004","90","","2166.9","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0813","0.0698","","","0.2005","0.2283","","","","","","1.136","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219793","25.983","0.002","7.316","0.0006","24.834","0.002","90","","113.707","0.005","90","","4322.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C208 H112 F64 N16 -","16","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0794","0.0435","","","0.0961","0.111","","","","","","1.032","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219794","7.2368","0.0005","6.6503","0.0005","22.2218","0.0014","90","","97.167","0.003","90","","1061.11","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0288","0.0272","","","0.0733","0.0748","","","","","","1.057","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219797","6.8244","0.0006","7.6412","0.0007","10.8203","0.001","79.604","0.006","83.948","0.006","69.737","0.006","520.07","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0449","0.0392","","","0.1149","0.1299","","","","","","1.118","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219799","6.8223","0.0008","7.5505","0.0008","11.2975","0.0014","80.541","0.007","86.409","0.007","66.173","0.007","525.11","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0477","0.0342","","","0.0831","0.0909","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219801","16.497","0.002","3.7422","0.0004","17.009","0.002","90","","94.425","0.008","90","","1046.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0449","0.0336","","","0.0819","0.0887","","","","","","1.021","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219802","6.7242","0.0006","8.3077","0.0007","10.3309","0.0009","74.956","0.004","73.491","0.004","74.437","0.004","522.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0393","0.0329","","","0.0913","0.0961","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219805","3.7169","0.0006","11.5058","0.0019","12.53","0.002","97.022","0.011","93.644","0.011","91.313","0.012","530.51","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,4-difluoro-N-(2,4-difluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0671","0.0458","","","0.1103","0.1223","","","","","","1.043","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219807","6.8363","0.0004","13.8701","0.0008","11.6974","0.0006","90","","105.915","0.003","90","","1066.64","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0492","0.0373","","","0.0909","0.0975","","","","","","1.064","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219808","7.3598","0.001","12.5972","0.0014","12.669","0.0016","70.079","0.007","75.851","0.008","78.418","0.007","1061.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0763","0.0417","","","0.094","0.1096","","","","","","1.01","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219809","6.6472","0.0004","15.892","0.0009","10.0448","0.0005","90","","92.712","0.003","90","","1059.92","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0387","0.0322","","","0.0796","0.0835","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219810","13.7505","0.0004","3.7574","0.0001","26.3533","0.0007","90","","130.149","0.002","90","","1040.75","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0332","","","0.0872","0.0957","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219813","10.0995","0.0003","9.0827","0.0003","18.1054","0.0004","90","","141.529","0.001","90","","1033.23","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0333","","","0.0864","0.0918","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219814","6.7897","0.001","6.8031","0.0012","12.0624","0.0018","84.037","0.01","85.232","0.01","72.402","0.01","527.44","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.1013","0.0807","","","0.2227","0.2452","","","","","","1.106","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219815","7.345","0.002","21.755","0.006","13.731","0.004","90","","100.313","0.003","90","","2158.6","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0575","0.037","","","0.0788","0.0878","","","","","","1.041","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219816","7.092","0.002","30.276","0.01","10.124","0.003","90","","99.046","0.004","90","","2146.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1149","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219817","9.0642","0.001","19.594","0.002","12.6956","0.0015","90","","104.058","0.006","90","","2187.3","0.4","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl N3 O10.5 Zn -","- C16 H20 Cl N3 O10.5 Zn -","- C64 H80 Cl4 N12 O42 Zn4 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0715","0.0592","","","0.1404","0.1449","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219820","10.3751","0.0003","8.315","0.0003","23.5131","0.0011","90","","102.275","0.004","90","","1982.08","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl Cu N3 O7 -","- C17 H22 Cl Cu N3 O7 -","- C68 H88 Cl4 Cu4 N12 O28 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0685","0.0562","","","0.1456","0.1534","","","","","","1.072","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219823","16.939","0.0002","16.939","0.0002","33.5981","0.0006","90","","90","","90","","9640.3","0.2","100","1","100","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H28 Cl N3 O7 Zn -","- C20 H28 Cl N3 O7 Zn -","- C320 H448 Cl16 N48 O112 Zn16 -","16","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0933","0.0863","","","0.2584","0.2686","","","","","","1.069","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219824","9.421","0.0017","22.221","0.005","29.851","0.007","110.023","0.013","90.136","0.013","97.835","0.012","5809","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Cl4 N12 O34 Zn4 -","- C92 H128 Cl2 N12 O20 Zn4 -","- C184 H256 Cl4 N24 O40 Zn8 -","2","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.2524","0.1558","","","0.3696","0.4216","","","","","","1.016","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219830","12.47","0.003","15.441","0.003","15.443","0.006","90","","114.56","0.02","90","","2704.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl4 Fe3 N11 O6 -","- C50 H54 Cl4 Fe3 N11 O6 -","- C100 H108 Cl8 Fe6 N22 O12 -","2","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.1337","0.072","","","0.1918","0.2455","","","","","","0.863","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219831","8.3643","0.0017","9.794","0.002","11.596","0.002","79.79","0.03","71.08","0.03","87.2","0.03","884.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 B F2 N2 O2 -","- C20 H19 B F2 N2 O2 -","- C40 H38 B2 F4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.1126","0.0652","","","0.189","0.2612","","","","","","1.195","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219832","7.747","0.0019","10.414","0.003","14.007","0.003","91.746","0.004","105.965","0.004","91.149","0.005","1085.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 B F2 I2 N2 O2 -","- C20 H17 B F2 I2 N2 O2 -","- C40 H34 B2 F4 I4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.0613","0.0552","","","0.1495","0.1557","","","","","","1.073","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219833","10.0744","0.0009","10.408","0.001","11.805","0.0011","69.844","0.002","85.884","0.002","68.191","0.002","1076.58","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H19 B F2 I2 N2 O2 -","- C21 H19 B F2 I2 N2 O2 -","- C42 H38 B2 F4 I4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.0276","0.0225","","","0.0513","0.0533","","","","","","1.033","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219834","12.745","0.005","8.223","0.005","13.91","0.005","90","","112.259","0.005","90","","1349.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N5 O7 -","- C13 H9 N5 O7 -","- C52 H36 N20 O28 -","4","1","","Ghosh, Pritam; Roy, Biswajit Gopal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","Recognition of fluoride anion at low ppm level inside living cell and from fluorosis affected tooth and saliva samples","RSC Adv.","2015","","","","","10.1039/C5RA01720C","","","1.5418","CuKα","","0.0369","0.035","","","0.099","0.1011","","","","","","1.05","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219835","11.705","0.005","13.456","0.005","18.636","0.005","95.216","0.005","90.707","0.005","109.834","0.005","2746.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N16 O12 Zn2 -","- C56 H40 N16 O8 Zn2 -","- C112 H80 N32 O16 Zn4 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.1063","0.0552","","","0.1056","0.1171","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219837","21.036","0.005","7.657","0.005","20.088","0.005","90","0.005","106.909","0.005","90","0.005","3096","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N8 O6 Zn -","- C34 H25 N8 O6 Zn -","- C136 H100 N32 O24 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0683","0.0395","","","0.0841","0.102","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219838","21.082","0.005","7.603","0.005","20.045","0.005","90","0.005","106.323","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co N8 O6 -","- C34 H25 Co N8 O6 -","- C136 H100 Co4 N32 O24 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0873","0.0447","","","0.0874","0.1115","","","","","","0.995","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219839","8.534","0.005","9.108","0.005","19.64","0.005","95.412","0.005","99.68","0.005","107.109","0.005","1421.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N10 O6 -","- C27 H25 Cd N10 O6 -","- C54 H50 Cd2 N20 O12 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.05","0.0398","","","0.1103","0.1253","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219840","9.778","0.005","18.632","0.005","15.6","0.005","90","0.005","92.111","0.005","90","0.005","2840.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N8 O5 -","- C32 H24 Cd N8 O5 -","- C128 H96 Cd4 N32 O20 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0563","0.0339","","","0.0671","0.0737","","","","","","0.987","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219841","21.5392","0.0007","14.2336","0.0004","7.7362","0.0002","90","","93.957","0.001","90","","2366.11","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0557","","","","","","1.084","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219842","28.2519","0.0003","28.2519","0.0003","12.3144","0.0003","90","","90","","90","","9829","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H16 Cd3 N2 O12 -","- C26 H16 Cd3 N2 O12 -","- C416 H256 Cd48 N32 O192 -","16","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","1.54184","CuKα","","0.0519","0.0388","","","0.0878","0.0955","","","","","","1.048","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219843","21.9803","0.0008","17.2195","0.0007","9.2491","0.0003","90","","105.929","0.002","90","","3366.3","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co2 N4 O13 -","- C36 H27 Co2 N4 O13 -","- C144 H108 Co8 N16 O52 -","4","0.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0559","0.0408","","","0.0965","0.1046","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219844","14.2195","0.0014","11.2318","0.0008","14.6122","0.0014","90","","100.353","0.01","90","","2295.7","0.4","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.62 N0.77 O0.92 Zn0.15 -","- C3.84615 H2.92308 N0.769231 O0.923077 Zn0.153846 -","- C100 H76 N20 O24 Zn4 -","26","6.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0549","0.0396","","","0.0977","0.1102","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219845","13.9673","0.0005","11.3875","0.0002","14.9718","0.0004","90","","98.332","0.003","90","","2356.17","0.11","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.57 H2.71 Cd0.14 N0.71 O0.86 -","- C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143 -","- C100 H76 Cd4 N20 O24 -","28","7","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0534","0.0323","","","0.0734","0.0861","","","","","","1.044","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219846","7.8766","0.0002","19.455","0.0005","13.3737","0.0004","90","","90.361","0.002","90","","2049.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N3 O6 -","- C22 H16 Co N3 O6 -","- C88 H64 Co4 N12 O24 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0711","0.0499","","","0.1169","0.1286","","","","","","1.069","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219847","7.6214","0.0011","17.281","0.002","12.3199","0.0016","90","","96.176","0.007","90","","1613.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cd N2 O5 -","- C18 H11 Cd N2 O5 -","- C72 H44 Cd4 N8 O20 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1582","0.1748","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219848","9.664","0.0019","11.505","0.002","14.704","0.003","83.42","0.03","74.84","0.03","84.16","0.03","1563.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N4 O11 U -","- C37 H24 N4 O11 U -","- C74 H48 N8 O22 U2 -","2","1","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","0.71073","MoKα","","0.0423","0.0386","","","0.1024","0.1048","","","","","","0.916","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219849","14.1475","0.0007","14.2138","0.0007","14.2205","0.0008","71.475","0.005","63.479","0.005","86.375","0.004","2415.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","1","0.5","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","1.54178","CuKα","","0.0711","0.0572","","","0.1158","0.1211","","","","","","1.103","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219850","46.64","0.07","12.447","0.018","31.37","0.04","90","","131.263","0.012","90","","13689","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Cd3 N16 O24 -","- C52 H47 Cd3 N16 O16 -","- C416 H376 Cd24 N128 O128 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1234","0.0898","","","0.2432","0.2685","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219851","10.8281","0.0003","11.4808","0.0004","15.8705","0.0004","90","","109.351","0.001","90","","1861.49","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd N4 O4 -","- C19 H20 Cd N4 O4 -","- C76 H80 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0368","0.0263","","","0.0566","0.0597","","","","","","1.042","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219852","10.667","0.006","11.908","0.006","13.161","0.007","90","","109.602","0.006","90","","1574.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N4 O4 -","- C16 H14 Cd N4 O4 -","- C64 H56 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0456","0.0373","","","0.0849","0.0901","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219853","8.63","0.02","10.32","0.02","13.12","0.03","94.84","0.02","107.4","0.02","110.62","0.02","1020","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cd N4 O5 -","- C19 H21 Cd N4 O5 -","- C38 H42 Cd2 N8 O10 -","2","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0945","0.0673","","","0.149","0.165","","","","","","1.036","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219855","4.8452","0.0004","10.3656","0.001","17.3307","0.0017","90","","97.778","0.004","90","","862.4","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71073","MoKα","","0.1137","0.0546","","","0.1075","0.127","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219856","40.33","0.09","4.629","0.013","20.38","0.05","90","","117.5","0.03","90","","3375","15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C136 H144 N32 O32 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1474","0.0772","","","0.1756","0.2322","","","","","","0.991","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219857","17.6812","0.0015","9.5252","0.0008","19.9837","0.0017","90","","98.363","0.002","90","","3329.8","0.5","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","form IIIp","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0836","0.0529","","","0.1182","0.1363","","","","","","1.035","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219858","24.851","0.003","9.4124","0.0013","29.215","0.004","90","","103.211","0.002","90","","6652.8","1.5","100","2","100","2","","","101.3","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","p-iso-propylcalix[4]arene","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C320 H384 O32 -","8","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0693","0.0601","","","0.1531","0.16","","","","","","1.021","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219859","9.4324","0.0011","15.3488","0.0018","23.578","0.003","90","","98.751","0.002","90","","3373.8","0.7","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","Form Ip","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.1424","0.0658","","","0.1386","0.1775","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219860","7.0695","0.0003","17.0159","0.0005","17.3803","0.0008","73.613","0.004","80.876","0.004","88.514","0.003","1980.05","0.14","","","296","4","","","","","","","","3","P -1","-P 1","2","2,5,6-triphenyl-1H-imidazo[4,5-b]pyrazine","","","- C23 H16 N4 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Zi, You; Meng, Hua; Chu, Xue-Qiang; Xu, Xiao-Ping; Ji, Shun-Jun","Synthesis and characterization on novel fluorescent sensors for Pd2+/Pd0 with high selectivity","RSC Adv.","2015","","","","","10.1039/C5RA01343G","","","","","","0.0843","0.0497","","","0.119","0.1383","","","","","","","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219861","13.2058","0.001","5.263","0.0004","22.7073","0.0017","90","","100.007","0.01","90","","1554.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Reddy, Jagan Mohan; Balasubramanian, Sridhar; Ramalingamurthy, T.; Pranathi, Patlollu; kalivendi, shasi v; Prabhakar Rao, Tadikamalla","A short and highly convergent approach for the synthesis of rutaecarpine derivatives","RSC Adv.","2015","","","","","10.1039/C4RA14093A","","","0.71073","MoKα","","0.053","0.0469","","","0.1193","0.1247","","","","","","1.108","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219862","21.343","0.004","7.8125","0.0016","11.766","0.002","90","","100.11","0.03","90","","1931.4","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N14 O15 -","- C8 H6 N14 O15 -","- C32 H24 N56 O60 -","4","0.5","","Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials","RSC Adv.","2015","","","","","10.1039/C5RA03230J","","","0.71073","MoKα","","0.0741","0.0511","","","0.1126","0.1204","","","","","","1.151","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219863","11.3577","0.0006","9.9015","0.0006","24.706","0.0014","90","","90","","90","","2778.4","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H3 Cl N10 O9 -","- C6 H3 Cl N10 O9 -","- C48 H24 Cl8 N80 O72 -","8","1","","Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials","RSC Adv.","2015","","","","","10.1039/C5RA03230J","","","0.71073","MoKα","","0.0695","0.0439","","","0.112","0.1253","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219864","7.6635","0.0006","9.5134","0.0007","15.1332","0.0012","90","","99.571","0.003","90","","1087.94","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N16 O19 -","- C8 H4 N16 O19 -","- C16 H8 N32 O38 -","2","0.5","","Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials","RSC Adv.","2015","","","","","10.1039/C5RA03230J","","","0.71073","MoKα","","0.0735","0.035","","","0.0727","0.0814","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219865","11.5446","0.0012","14.7733","0.0016","15.4797","0.0016","66.933","0.002","69.503","0.002","89.899","0.002","2247","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0949","0.0602","","","0.1404","0.1598","","","","","","1.087","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219866","12.1224","0.0015","13.4764","0.0015","14.2227","0.0017","105.086","0.002","111.688","0.002","105.602","0.002","1904.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0869","0.0491","","","0.1167","0.1332","","","","","","1.063","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219867","10.5428","0.0006","23.1328","0.0013","12.2375","0.0007","90","","101.333","0.001","90","","2926.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0457","0.0439","","","0.0919","0.093","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219868","26.3119","0.0019","10.3171","0.0007","23.8781","0.0017","90","","106.323","0.001","90","","6220.7","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag5 Mo12 N20 O45 P -","- C24 H16 Ag5 Mo12 N20 O40 P -","- C96 H64 Ag20 Mo48 N80 O160 P4 -","4","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0992","0.0847","","","0.2413","0.254","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219869","6.6762","0.0009","7.9864","0.0011","13.745","0.0019","78.535","0.002","84.941","0.002","76.907","0.002","698.86","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0787","0.0563","","","0.1378","0.1508","","","","","","1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219870","6.5863","0.0009","7.6421","0.0011","13.809","0.002","96.335","0.002","94.647","0.002","97.679","0.002","681.37","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0585","0.0439","","","0.0852","0.0911","","","","","","1.082","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219871","6.5961","0.0005","7.7866","0.0006","13.4353","0.0011","83.405","0.001","80.961","0.001","81.545","0.001","671.1","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0341","0.0287","","","0.0701","0.0727","","","","","","1.075","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219872","6.6953","0.0004","7.6428","0.0005","14.0935","0.0008","96.583","0.001","95.129","0.001","96.171","0.001","708.48","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0197","0.019","","","0.0468","0.0472","","","","","","1.004","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219873","6.6818","0.0009","7.6135","0.001","14.034","0.002","96.685","0.002","95.671","0.002","95.868","0.002","700.92","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0353","0.0318","","","0.0621","0.0642","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219874","18.685","0.008","11.722","0.005","9.244","0.004","90","","91.771","0.006","90","","2023.7","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 Cl Cu N4 O11 -","- C12 H10 Ba2 Cl Cu N4 O11 -","- C48 H40 Ba8 Cl4 Cu4 N16 O44 -","4","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0701","0.0684","","","0.2401","0.2451","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219875","7.7073","0.0007","8.5422","0.0008","10.0834","0.0009","94.55","0.001","105.335","0.001","95.427","0.001","633.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0401","0.0356","","","0.0863","0.0895","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219876","14.3621","0.0013","6.98","0.0006","15.7788","0.0015","90","","114.121","0.001","90","","1443.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cu N6 O24 Sr2 -","- C12 H24 Cu N6 O24 Sr2 -","- C24 H48 Cu2 N12 O48 Sr4 -","2","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0408","0.0299","","","0.0761","0.0819","","","","","","1.011","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219877","6.6503","0.0009","7.9533","0.0011","13.656","0.002","78.411","0.002","84.66","0.002","77.08","0.002","688.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0429","0.0373","","","0.0971","0.1015","","","","","","1.003","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219878","6.6133","0.0015","7.6512","0.0017","13.778","0.003","96.312","0.004","95.186","0.003","97.792","0.004","682.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0473","0.0365","","","0.082","0.0882","","","","","","1.008","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219879","18.895","0.005","5.769","0.003","26.82","0.006","90","","90.989","0.005","90","","2923.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ferrocenyl-2-(phenyl)thioethanone","","- C18 H16 Fe O S -","- C18 H16 Fe O S -","- C144 H128 Fe8 O8 S8 -","8","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0509","0.0337","","","0.0718","0.0779","","","","","","1.032","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219881","5.706","0.003","11.339","0.005","13.634","0.005","112.724","0.005","94.083","0.008","94.391","0.01","806.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-2-[4-(methoxyphenyl)thio]ethanone","","- C19 H18 Fe O2 S -","- C19 H18 Fe O2 S -","- C38 H36 Fe2 O4 S2 -","2","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.0336","0.0281","","","0.0679","0.0708","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219883","7.6287","0.0018","23.333","0.006","9.21","0.002","90","","108.146","0.009","90","","1557.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-2-[3-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1293","0.0505","","","0.0984","0.1241","","","","","","0.994","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219884","7.119","0.003","23.62","0.0008","9.661","0.002","90","","108.071","0.007","90","","1544.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-[2-(chlorophenyl)thio]ethanone (VII)","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0841","0.0513","","","0.109","0.1203","","","","","","1.047","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219886","4.5675","0.0005","7.6532","0.0008","45.491","0.003","90","","90","","90","","1590.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O8 S -","- C15 H18 O8 S -","- C60 H72 O32 S4 -","4","1","","Gao, J.-M.; Li, He; Tian, Jun-Mian; Tang, Hao-Yu; Zhang, An-Ling; Pan, Shi-Yin","Chaetosemins A-E, New Chromones Isolated from an Ascomycete Chaetomium seminudum and Their Biological Activities","RSC Adv.","2015","","","","","10.1039/C5RA00525F","","","0.71073","MoKα","","0.068","0.0525","","","0.1052","0.111","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219887","13.733","0.003","14.889","0.003","21.978","0.004","90","","90","","90","","4493.9","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Fe2 N4 O4 S2 -","- C18 H22 Fe2 N4 O4 S2 -","- C144 H176 Fe16 N32 O32 S16 -","8","1","","Wang, Yanhong; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Sheng, Liao","Synthesis, Characterization, Electrochemical Properties and Catalytic Reactivity of the N-Heterocyclic Carbene-Containing Diiron Complexes","RSC Adv.","2015","","","","","10.1039/C4RA15150J","","","0.71073","MoKα","","0.0543","0.0444","","","0.1115","0.1187","","","","","","1.079","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219888","28.207","0.004","21.63","0.003","10.2634","0.0012","90","","90","","90","","6261.9","1.4","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 Fe2 N2 O5 S2 -","- C30 H32 Fe2 N2 O5 S2 -","- C240 H256 Fe16 N16 O40 S16 -","8","2","","Wang, Yanhong; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Sheng, Liao","Synthesis, Characterization, Electrochemical Properties and Catalytic Reactivity of the N-Heterocyclic Carbene-Containing Diiron Complexes","RSC Adv.","2015","","","","","10.1039/C4RA15150J","","","0.71075","MoKα","","0.0847","0.0668","","","0.1445","0.1549","","","","","","1.077","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219889","11.7839","0.0003","12.0077","0.0004","14.716","0.0004","90","","94.491","0.001","90","","2075.88","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cu N2 O5 S2 -","- C20 H19 Cu N2 O5 S2 -","- C80 H76 Cu4 N8 O20 S8 -","4","1","","Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.","1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests","RSC Adv.","2015","","","","","10.1039/C5RA03126E","","","0.71073","MoKα","","0.057","0.0379","","","0.0944","0.1063","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219890","14.636","0.004","11.838","0.003","24.374","0.005","90","","101.236","0.008","90","","4142.1","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 Cu2 N7 O12 S2 -","- C39 H37 Cu2 N7 O12 S2 -","- C156 H148 Cu8 N28 O48 S8 -","4","1","","Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.","1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests","RSC Adv.","2015","","","","","10.1039/C5RA03126E","","","0.71073","MoKα","","0.0685","0.045","","","0.1097","0.1209","","","","","","1.074","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219891","13.3925","0.0015","11.7576","0.0012","14.4447","0.0015","90","","116.399","0.004","90","","2037.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu N3 O5 S -","- C20 H18 Cu N3 O5 S -","- C80 H72 Cu4 N12 O20 S4 -","4","1","","Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.","1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests","RSC Adv.","2015","","","","","10.1039/C5RA03126E","","","0.71073","MoKα","","0.0661","0.041","","","0.0916","0.1004","","","","","","1.149","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219892","12.169","0.004","12.142","0.004","14.346","0.005","90","","100.212","0.013","90","","2086.1","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cu N3 O5 S -","- C21 H20 Cu N3 O5 S -","- C84 H80 Cu4 N12 O20 S4 -","4","1","","Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.","1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests","RSC Adv.","2015","","","","","10.1039/C5RA03126E","","","0.71073","MoKα","","0.0543","0.0399","","","0.0996","0.1082","","","","","","1.096","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219893","11.7425","0.0007","13.918","0.0008","14.0079","0.0009","61.461","0.002","71.523","0.003","71.386","0.002","1868.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cu2 N4 O10 S2 -","- C38 H34 Cu2 N4 O10 S2 -","- C76 H68 Cu4 N8 O20 S4 -","2","1","","Hazra, Susanta; Guedes da Silva, M. Fátima C.; Karmakar, Anirban; Pombeiro, Armando J. L.","1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests","RSC Adv.","2015","","","","","10.1039/C5RA03126E","","","0.71073","MoKα","","0.1158","0.0714","","","0.1289","0.1461","","","","","","1.056","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219894","8.0072","0.0005","11.8432","0.0009","13.3307","0.0009","96.449","0.006","106.074","0.006","97.869","0.006","1188.22","0.15","120","","120","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C22 H30 N4 O7 S -","- C22 H30 N4 O7 S -","- C44 H60 N8 O14 S2 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.156","0.0732","","","0.1353","0.1589","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219895","33.554","0.007","13.996","0.003","18.645","0.004","90","","100.54","0.03","90","","8608","3","293","2","293","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C336 H416 N64 O96 S16 -","16","2","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1291","0.0481","","","0.0749","0.0872","","","","","","0.841","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219896","7.937","0.0005","12.8236","0.001","13.4836","0.001","79.804","0.006","76.806","0.006","78.841","0.006","1298.15","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1452","0.1041","","","0.3058","0.3386","","","","","","1.161","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219897","15.9465","0.0006","18.9851","0.0004","17.161","0.0007","90","","111.552","0.004","90","","4832.2","0.3","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 Cl2 N6 O21 -","- C43 H64 Cl2 N6 O21 -","- C172 H256 Cl8 N24 O84 -","4","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.7107","MoKα","","0.0816","0.0665","","","0.1859","0.1971","","","","","","1.031","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219898","7.937","0.0005","12.824","0.001","13.485","0.001","79.8","0.006","76.802","0.006","78.839","0.006","1298.28","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20.5 H28 Br N3 O6.5 -","- C20.5 H28 Br1.0005 N3 O6.5 -","- C41 H56 Br2.001 N6 O13 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1581","0.1052","","","0.3065","0.3421","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219899","13.7359","0.0008","13.0043","0.0008","7.8727","0.0004","90","","94.636","0.006","90","","1401.67","0.14","330","1","330","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 Bi I4 N2 -","- C4 H7 Bi I4 N2 -","- C16 H28 Bi4 I16 N8 -","4","0.5","","Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.","Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid","CrystEngComm","2015","17","17","3286","","10.1039/C5CE00046G","","","0.71073","MoKα","","0.036","0.0261","","","0.0533","0.0551","","","","","","0.937","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219901","8.0326","0.0008","8.0754","0.001","12.745","0.002","84.19","0.014","88.36","0.014","76.009","0.01","798.07","0.18","413","2","413","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.092","0.0494","","","0.14","0.1507","","","","","","0.895","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219902","13.047","0.008","9.7","0.003","8.348","0.005","90","","129.31","0.09","90","","817.4","1.3","426","1","426","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","1","0.125","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.1015","0.0725","","","0.1977","0.2163","","","","","","0.961","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219903","10.2342","0.0015","8.024","0.0013","6.3898","0.0009","90","","127.882","0.007","90","","414.15","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B5 H3 O11 Sr2 -","- B5 H3 O11 Sr2 -","- B10 H6 O22 Sr4 -","2","0.5","","Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng","Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.","Physical chemistry chemical physics : PCCP","2015","17","16","10489","10496","10.1039/c5cp00864f","","","0.71073","MoKα","","0.0183","0.0174","","","0.0387","0.039","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219904","4.2311","0.0007","8.0019","0.0016","20.415","0.003","90.899","0.014","92.671","0.013","101.555","0.015","676.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N3 O2 S -","- C14 H11 N3 O2 S -","- C28 H22 N6 O4 S2 -","2","1","","Kumar, Dhananjay; Singh, Anoop S.; Tiwari, Vinod K.","An unprecedented deoxygenation protocol of benzylic alcohols using bis(1- benzotriazolyl)methanethione","RSC Adv.","2015","","","","","10.1039/C5RA01545F","","","0.71073","MoKα","","0.1336","0.059","","","0.0848","0.1104","","","","","","1.019","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219905","6.6888","0.0007","28.847","0.002","8.33","0.001","90","","104.396","0.011","90","","1556.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Fe N3 -","- C18 H17 Fe N3 -","- C72 H68 Fe4 N12 -","4","1","","Kumar, Dhananjay; Singh, Anoop S.; Tiwari, Vinod K.","An unprecedented deoxygenation protocol of benzylic alcohols using bis(1- benzotriazolyl)methanethione","RSC Adv.","2015","","","","","10.1039/C5RA01545F","","","0.71073","MoKα","","0.1214","0.0694","","","0.1276","0.1545","","","","","","1.097","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219906","6.1853","0.0006","30.023","0.003","8.4797","0.0009","90","","104.478","0.01","90","","1524.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Fe N3 -","- C18 H17 Fe N3 -","- C72 H68 Fe4 N12 -","4","2","","Kumar, Dhananjay; Singh, Anoop S.; Tiwari, Vinod K.","An unprecedented deoxygenation protocol of benzylic alcohols using bis(1- benzotriazolyl)methanethione","RSC Adv.","2015","","","","","10.1039/C5RA01545F","","","0.71073","MoKα","","0.1002","0.0611","","","0.097","0.1212","","","","","","1.046","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219907","15.594","0.005","9.946","0.005","17.135","0.005","90","0.005","109.11","0.005","90","0.005","2511.1","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C136 H104 N8 -","4","1","","K. V., Radhakrishnan; Chand, S. Sarath; B. S, Sasidhar; Prakash, Praveen; P., Sasikumar; Preethalayam, Preethanuj; Jaroschik, Florian; Harakat, Dominique; Vasse, Jean-Luc","Lewis Acid Catalyzed C-3 Alkylidenecyclopentenylation of Indoles: An Easy Access to Functionalized Indoles and Bisindoles","RSC Adv.","2015","","","","","10.1039/C5RA01107H","","","0.71073","MoKα","","0.06","0.0434","","","0.1221","0.142","","","","","","1.046","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219908","8.5916","0.0002","9.5191","0.0003","14.2137","0.0004","81.178","0.001","86.572","0.001","87.392","0.001","1145.87","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","sc_585_2","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C46 H58 N6 O8 -","2","1","","K. V., Radhakrishnan; Chand, S. Sarath; B. S, Sasidhar; Prakash, Praveen; P., Sasikumar; Preethalayam, Preethanuj; Jaroschik, Florian; Harakat, Dominique; Vasse, Jean-Luc","Lewis Acid Catalyzed C-3 Alkylidenecyclopentenylation of Indoles: An Easy Access to Functionalized Indoles and Bisindoles","RSC Adv.","2015","","","","","10.1039/C5RA01107H","","","0.71073","MoKα","","0.0724","0.0487","","","0.1453","0.1735","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219909","9.346","0.0005","15.946","0.0006","13.3571","0.0007","90","","125.627","0.004","90","","1618.03","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl Mo N2 O2 -","- C17 H15 Cl Mo N2 O2 -","- C68 H60 Cl4 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0275","0.0216","","","0.0501","0.0551","","","","","","1.143","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219910","7.8081","0.0007","10.0351","0.0007","11.388","0.0003","85.912","0.004","82.923","0.003","72.94","0.006","845.96","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl Mo N2 O2 -","- C19 H17 Cl Mo N2 O2 -","- C38 H34 Cl2 Mo2 N4 O4 -","2","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0227","0.0195","","","0.0481","0.0501","","","","","","1.119","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219911","13.24","0.0007","19.2431","0.0011","15.16","0.0012","90","","92.773","0.006","90","","3857.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl4 Mo2 N2 O4 -","- C39 H32 Cl4 Mo2 N2 O4 -","- C156 H128 Cl16 Mo8 N8 O16 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.1545","0.0876","","","0.1706","0.1969","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219912","11.1001","0.0006","13.401","0.0007","21.538","0.0006","90","","120.819","0.003","90","","2751.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl4 Mo N2 O2 -","- C28 H24 Cl4 Mo N2 O2 -","- C112 H96 Cl16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0494","0.032","","","0.0641","0.0725","","","","","","1.084","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219913","7.099","0.0002","14.3201","0.0009","18.211","0.0009","90","","90","","90","","1851.3","0.16","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 Mo N2 O2 -","- C17 H17 B F4 Mo N2 O2 -","- C68 H68 B4 F16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0477","0.0447","","","0.1163","0.1202","","","","","","1.248","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219914","12.938","0.0004","13.371","0.0008","16.2521","0.0014","90","","128.131","0.005","90","","2211.5","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl Mo N2 O2 -","- C25 H21 Cl Mo N2 O2 -","- C100 H84 Cl4 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0797","0.0544","","","0.1524","0.1807","","","","","","1.051","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219915","13.694","0.0012","14.7491","0.001","15.147","0.0007","79.665","0.004","65.358","0.004","73.381","0.006","2658.2","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl3 Mo N2 O2 -","- C28 H25 Cl3 Mo N2 O2 -","- C112 H100 Cl12 Mo4 N8 O8 -","4","2","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0398","0.0276","","","0.0601","0.0689","","","","","","1.111","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219916","10.189","0.0008","13.6211","0.0012","17.553","0.0009","90","","117.631","0.006","90","","2158.3","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F4 Mo N2 O2 -","- C23 H19 B F4 Mo N2 O2 -","- C92 H76 B4 F16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.047","0.0314","","","0.0645","0.0712","","","","","","1.103","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219917","18.7282","0.0004","19.5668","0.0007","20.1671","0.0004","90","","115.422","0.003","90","","6674.7","0.3","150","1","150","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H61 B3 Cl2 F12 Mo2 N6 O4 -","- C69 H61 B3 Cl2 F12 Mo2 N6 O4 -","- C276 H244 B12 Cl8 F48 Mo8 N24 O16 -","4","0.5","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0966","0.059","","","0.1169","0.1361","","","","","","1.103","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219918","13.0251","0.0012","9.116","0.0003","14.085","0.001","90","","95.768","0.009","90","","1663.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl Mo N O2 -","- C18 H16 Cl Mo N O2 -","- C72 H64 Cl4 Mo4 N4 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0295","0.0239","","","0.0533","0.0575","","","","","","1.128","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219919","15.098","0.0014","14.976","0.0014","20.7031","0.0016","90","","90","","90","","4681.1","0.7","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br Mo N2 O2 -","- C27 H23 Br Mo N2 O2 -","- C216 H184 Br8 Mo8 N16 O16 -","8","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0472","0.0324","","","0.0735","0.0842","","","","","","1.133","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219920","11.013","0.0004","21.5815","0.0008","28.9932","0.001","90","","90","","90","","6891","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl6 N4 O2 Pd2 -","- C32 H34 Cl6 N4 O2 Pd2 -","- C256 H272 Cl48 N32 O16 Pd16 -","8","1","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0332","0.0283","","","0.0631","0.0659","","","","","","1.055","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219921","11.563","0.002","15.735","0.003","23.079","0.004","90","","116.426","0.007","90","","3760.3","1.2","","","","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C80 H68 Cl Hg2 I3 N12 O4 -","- C80 H70 Cl Hg2 I3 N12 O4 -","- C160 H140 Cl2 Hg4 I6 N24 O8 -","2","0.5","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7219922","13.1773","0.0016","17.859","0.002","18.35","0.002","90","","95.45","0.002","90","","4298.8","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H41 Cl2 Hg2 I2 N4 O2.5 -","- C36 H41 Cl2 Hg2 I2 N4 O2.5 -","- C144 H164 Cl8 Hg8 I8 N16 O10 -","4","0.5","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0555","0.046","","","0.1283","0.1345","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219923","15.477","0.004","19.092","0.005","16.2","0.004","90","","93.137","0.005","90","","4780","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 Hg I2 N5 O4 S2 -","- C42 H55 Hg I2 N5 O4 S2 -","- C168 H220 Hg4 I8 N20 O16 S8 -","4","1","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0691","0.0459","","","0.1183","0.1327","","","","","","1.03","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219924","15.437","0.002","15.405","0.002","15.041","0.002","90","","108.081","0.002","90","","3400.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H40 Hg I2 N4 O3 -","- C29 H36 Hg I2 N4 O3 -","- C116 H144 Hg4 I8 N16 O12 -","4","0.5","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0336","0.0308","","","0.086","0.0878","","","","","","1.074","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219925","8.9097","0.0003","26.0744","0.001","17.0475","0.0007","90","","97.686","0.001","90","","3924.8","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H38.5 Hg2 I4 N4 O3.75 S1.75 -","- C27.5 H34 Hg2 I4 N4 O3.75 S1.75 -","- C110 H136 Hg8 I16 N16 O15 S7 -","4","1","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0361","0.0316","","","0.0772","0.0795","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219926","15.391","0.003","17.539","0.003","15.492","0.003","90","","119.003","0.003","90","","3657.5","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Ag F6 N6 O2 P -","- C40 H34 Ag F6 N6 O2 P -","- C160 H136 Ag4 F24 N24 O8 P4 -","4","1","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0569","0.045","","","0.1103","0.1198","","","","","","1.039","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219927","16.501","0.006","16.221","0.006","15.435","0.006","90","","119.068","0.005","90","","3611","2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Ag F6 N4 O2 P -","- C36 H40 Ag F6 N4 O2 P -","- C144 H160 Ag4 F24 N16 O8 P4 -","4","0.5","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","191065","2020-10-21","18:00:00",""
"7219928","15.5405","0.001","13.9867","0.0009","18.1492","0.0013","90","","113.329","0.004","90","","3622.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 Br2 Cl4 F2 N4 O -","- C39 H26 Br2 Cl4 F2 N4 O -","- C156 H104 Br8 Cl16 F8 N16 O4 -","4","1","","Garai, Antara; kumar, samir; Sinha, Woormileela; Purohit, Chandra Shekhar; Das, Ritwick; Kar, Sanjib","A comparative study of optical nonlinearities of trans- A2B-corroles in solution and in aggregated state","RSC Adv.","2015","","","","","10.1039/C5RA03568F","","","0.71073","MoKα","","0.1245","0.0674","","","0.1615","0.19","","","","","","1.023","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219929","6.1459","0.0004","10.5542","0.0006","9.5004","0.0005","90","","93.777","0.002","90","","614.91","0.06","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl fluoromalonate","","- C5 H7 F O4 -","- C5 H7 F O4 -","- C20 H28 F4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham","Fluorine gas for life science syntheses: green metrics to assess selective direct fluorination for the synthesis of 2-fluoromalonate esters","Green Chem.","2015","17","5","3000","","10.1039/C5GC00402K","","x-ray","0.71073","MoKα","","0.0704","0.0568","","","0.1547","0.1716","","","","","","1.045","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219930","13.532","0.005","5.1339","0.0018","14.727","0.005","90","","92.242","0.004","90","","1022.3","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N10 O3 -","- C5 H8 N10 O3 -","- C20 H32 N40 O12 -","4","1","","Wu, Jinting; Zhang, Jianguo; Li, Tong; Li, Zhimin; Zhang, Tonglai","A Novel Cocrystal Explosive NTO/TZTN with Good Comprehensive Properties","RSC Adv.","2015","","","","","10.1039/C5RA01124H","","","0.71073","MoKα","","0.0448","0.0371","","","0.0983","0.1041","","","","","","1.001","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219934","12.9068","0.0005","23.7447","0.0009","38.817","0.0017","90","","96.451","0.001","90","","11820.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Cu N12 O83 P2 Ti2 W22 -","- C48 H92 Cu N12 O80 P2 Ti2 W22 -","- C192 H368 Cu4 N48 O320 P8 Ti8 W88 -","4","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.0918","0.0526","","","0.1068","0.1213","","","","","","1.006","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219935","14.6474","0.0009","19.8814","0.0012","21.9641","0.0014","78.874","0.001","88.113","0.001","75.659","0.001","6079.7","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H79 Cu N12 O80.5 P2 Ti2 W22 -","- C58 H76 Cu N12 O80.5 P2 Ti2 W22 -","- C116 H152 Cu2 N24 O161 P4 Ti4 W44 -","2","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1104","0.0645","","","0.1445","0.1882","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219936","15.9375","0.0009","16.0198","0.0009","23.1712","0.0014","90","","91.951","0.001","90","","5912.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 N24 O40 P W12 -","- C96 H80 Cu4 N24 O40 P W12 -","- C192 H160 Cu8 N48 O80 P2 W24 -","2","0.5","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1209","0.0481","","","0.0665","0.0831","","","","","","0.994","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219938","10.289","0.002","15.763","0.003","24.796","0.005","90","","112.65","0.03","90","","3711.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 O16 Zn2 -","- C28 H36 N4 O14 Zn2 -","- C112 H144 N16 O56 Zn8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0915","0.067","","","0.1959","0.2101","","","","","","1.091","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219939","19.005","0.004","13.683","0.003","14.521","0.003","90","","119.11","0.03","90","","3299.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O10 Zn2 -","- C16 H6 O10 Zn2 -","- C128 H48 O80 Zn16 -","8","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0357","0.0301","","","0.0784","0.0809","","","","","","1.068","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219942","21.818","0.004","14.704","0.003","26.282","0.005","90","","126.84","0.03","90","","6748","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Co4 O29 S7 -","- C36 H24 Co4 O24 S2 -","- C144 H96 Co16 O96 S8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1223","0.1127","","","0.2865","0.2943","","","","","","1.041","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219943","30.616","0.0015","6.633","0.0002","20.9653","0.001","90","","93.234","0.004","90","","4250.8","0.3","295","2","295","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C208 H200 Br8 N16 O8 -","8","1","","Xia, Xiao-Feng; Zhu, Su-Li; Gu, Zhen; Wang, Haijun","Copper-Catalyzed C-H Alkylation of 8-Aminoquinolines via 8-Amide Chelation Assistance","RSC Adv.","2015","","","","","10.1039/C4RA16896H","","","1.5418","CuKα","","0.0444","0.0388","","","0.1043","0.1107","","","","","","1.034","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219944","9.543","0.002","9.544","0.002","25.269","0.006","90","","90","","90","","2301.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 O7 S -","- C10.2857 H18.2857 O8 S1.14286 -","- C72 H128 O56 S8 -","7","1.75","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.1163","0.0622","","","0.1484","0.1881","","","","","","0.857","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219945","8.0439","0.0007","9.9065","0.0009","12.9817","0.0012","89.535","0.003","90.022","0.003","89.979","0.003","1034.44","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H29 N O6 S -","- C20 H29 N O6 S -","- C40 H58 N2 O12 S2 -","2","2","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.1754","0.07","","","0.1299","0.177","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219946","29.038","0.006","5.6706","0.0012","19.411","0.004","90","","123.093","0.006","90","","2677.8","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H35 N O6 S -","- C26 H35 N O6 S -","- C104 H140 N4 O24 S4 -","4","1","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.2378","0.1047","","","0.1834","0.2417","","","","","","1.066","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219947","8.5486","0.001","9.3634","0.0011","12.5188","0.0014","102.762","0.004","101.769","0.004","91.573","0.004","953.99","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Fe N9 O3 S2 -","- C14 H14 Fe N9 O3 S2 -","- C28 H28 Fe2 N18 O6 S4 -","2","1","","Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya","Significant photocytotoxic effect of an iron(III) complex of a Schiff base ligand derived from vitamin B6 and thiosemicarbazide in visible light","RSC Adv.","2015","","","","","10.1039/C5RA04207K","","","0.71073","MoKα","","0.0465","0.0372","","","0.1031","0.1246","","","","","","1.187","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219948","9.629","0.005","10.871","0.005","11.758","0.005","87.529","0.005","86.832","0.005","89.597","0.005","1227.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Fe N9 O4 S2 -","- C19 H24 Fe N9 O4 S2 -","- C38 H48 Fe2 N18 O8 S4 -","2","1","","Hussain, Akhtar; Sarkar, Tukki; Banerjee, Samya","Significant photocytotoxic effect of an iron(III) complex of a Schiff base ligand derived from vitamin B6 and thiosemicarbazide in visible light","RSC Adv.","2015","","","","","10.1039/C5RA04207K","","","0.71073","MoKα","","0.0486","0.0415","","","0.1219","0.1319","","","","","","1.052","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219949","7.3669","0.0007","30.714","0.003","7.0885","0.0007","90","","90","","90","","1603.9","0.3","296","2","296","2","","","","","","","","4","C m m 2","C 2 -2","35","","","","- Eu Na3 O16.47 Si6 -","- Eu Na3 O16.47 Si6 -","- Eu4 Na12 O65.88 Si24 -","4","0.5","","Liu, Wei; Ji, Ying; Liu, Fuyang; Yang, Min; Wang, Ying; Zhao, Xudong; Liu, Xiaoyang","Synthesis, crystal structure, and luminescence properties of a new microporous europium silicate: Na3EuSi6O15•1.47H2O","RSC Adv.","2015","","","","","10.1039/C5RA00423C","","","0.71073","MoKα","","0.0353","0.0346","","","0.0947","0.0951","","","","","","1.196","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219950","9.447","0.004","7.179","0.003","15.819","0.007","90","","105.464","0.007","90","","1034","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","0.5","","liu, tao; Huo, Fang-Jun; yin, caixia; li, jianfang; niu, lixi","A Highly Selective Fluorescence Sensor for Cysteine/Homocysteine and Its Application in Bioimaging","RSC Adv.","2015","","","","","10.1039/C5RA03011K","","","0.71073","MoKα","","0.1","0.0851","","","0.1588","0.1657","","","","","","1.226","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219951","22.256","0.001","14.171","0.001","24.719","0.001","90","","111.97","0.01","90","","7230","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,11,17,23-tetra-tert-butyl[25,27-dihydroxy-26,28-bis(diethylamineH)ethoxy] calix[4]arene bis[2,4-dichlorophenoxyacetate] monohydrate","","- C72 H96 Cl4 N2 O11 -","- C72 H96 Cl4 N2 O11 -","- C288 H384 Cl16 N8 O44 -","4","1","","Danil de Namor, Angela F.; ZVIETCOVICH-GUERRA, JORGE A; VILLANUEVA, JOSE A; Piro, Oscar E.; WEBB, OLIVER A; EL GAMOUZ, ABDELAZIZ; ABOU HAMDAN, WEAM; Castellano, Eduardo Ernesto","Calix[4]arene amine modified silica : From fundamentals to new recyclable materials for the removal of chlorophenoxy acids from water","RSC Adv.","2015","","","","","10.1039/C5RA02551F","","","0.71073","MoKα","","0.0748","0.05","","","0.1256","0.1474","","","","","","1.006","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219952","12.725","0.003","13.292","0.003","20.645","0.004","90.526","0.003","103.738","0.003","111.016","0.003","3149.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Mo6 N10 Na O39.5 P2 -","- C30 H37 Mo6 N10 Na O39.5 P2 -","- C60 H74 Mo12 N20 Na2 O79 P4 -","2","1","","Sun, Xiaopeng; Yang, Donghui; Wang, Gaigai; Liang, Zhijie; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Controlled Assembly of Carboxylate Hybrid Based on [(O3PCH2PO3)Mo6O22]12− Polyanion","RSC Adv.","2015","","","","","10.1039/C5RA01955A","","","0.71073","MoKα","","0.0645","0.0485","","","0.1353","0.1445","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219953","12.5484","0.0009","15.8024","0.0012","15.9316","0.0011","81.131","0.001","71.369","0.001","74.868","0.001","2881.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H78 Mo12 N16 Na2 O66 P4 -","- C34 H58 Mo12 N16 Na2 O66 P4 -","- C34 H58 Mo12 N16 Na2 O66 P4 -","1","0.5","","Sun, Xiaopeng; Yang, Donghui; Wang, Gaigai; Liang, Zhijie; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Controlled Assembly of Carboxylate Hybrid Based on [(O3PCH2PO3)Mo6O22]12− Polyanion","RSC Adv.","2015","","","","","10.1039/C5RA01955A","","","0.71073","MoKα","","0.0443","0.037","","","0.1276","0.1331","","","","","","1.092","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219954","12.5891","0.0009","14.2538","0.001","14.8335","0.001","84.525","0.001","83.87","0.001","80.497","0.001","2602","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H84 Mo16 N16 Na4 O86 P4 -","- C32 H48 Mo16 N16 Na4 O86 P4 -","- C32 H48 Mo16 N16 Na4 O86 P4 -","1","0.5","","Sun, Xiaopeng; Yang, Donghui; Wang, Gaigai; Liang, Zhijie; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Controlled Assembly of Carboxylate Hybrid Based on [(O3PCH2PO3)Mo6O22]12− Polyanion","RSC Adv.","2015","","","","","10.1039/C5RA01955A","","","0.71073","MoKα","","0.0498","0.036","","","0.0876","0.0929","","","","","","1.054","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219955","5.155","0.001","23.851","0.005","11.944","0.002","90","","93.18","0.03","90","","1466.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N2 O6 -","- C36 H34 N2 O6 -","- C72 H68 N4 O12 -","2","0.5","","Yang, Yong; Wu, Qiao Xia; Xue, Min","Bifurcated hydrogen bonding mediated planar 9,10-anthraquinone dyes: synthesis, structure and property","RSC Adv.","2015","","","","","10.1039/C5RA01682G","","","0.71073","MoKα","","0.097","0.0506","","","0.1091","0.1399","","","","","","1.012","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219956","9.2272","0.0003","10.9734","0.0004","20.8598","0.0006","78.118","0.003","84.743","0.003","72.358","0.004","1968.7","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H34 Cd2 N5 O10 -","- C43 H34 Cd2 N5 O10 -","- C86 H68 Cd4 N10 O20 -","2","1","","Tan, Yu-hui; Xiong, Jian-Bo; Gao, Ji-Xing; Xu, Qing; Fu, Chao-Wu; Tang, Yun Zhi; Yang, Shao-Ping; Wen, He-Rui; Shu, Qing","Solvothermal Synthesis, Structure, and Fluorescence Property of Three d10 Polymers Assembled From Semi-rigid V-shaped Azo-Bridged Multicarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA02417J","","","0.71073","MoKα","","0.0621","0.0435","","","0.0998","0.1122","","","","","","1.072","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219957","11.667","0.004","9.677","0.003","19.32","0.006","90","","96.15","0.004","90","","2168.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cd N3 O4 -","- C24 H19 Cd N3 O4 -","- C96 H76 Cd4 N12 O16 -","4","1","","Tan, Yu-hui; Xiong, Jian-Bo; Gao, Ji-Xing; Xu, Qing; Fu, Chao-Wu; Tang, Yun Zhi; Yang, Shao-Ping; Wen, He-Rui; Shu, Qing","Solvothermal Synthesis, Structure, and Fluorescence Property of Three d10 Polymers Assembled From Semi-rigid V-shaped Azo-Bridged Multicarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA02417J","","","0.71073","MoKα","","0.0385","0.0319","","","0.0643","0.0674","","","","","","1.071","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219958","11.5015","0.0007","12.6151","0.0006","19.6648","0.0013","90","","117.658","0.004","90","","2527.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O8 Zn2 -","- C28 H18 N2 O8 Zn2 -","- C112 H72 N8 O32 Zn8 -","4","1","","Tan, Yu-hui; Xiong, Jian-Bo; Gao, Ji-Xing; Xu, Qing; Fu, Chao-Wu; Tang, Yun Zhi; Yang, Shao-Ping; Wen, He-Rui; Shu, Qing","Solvothermal Synthesis, Structure, and Fluorescence Property of Three d10 Polymers Assembled From Semi-rigid V-shaped Azo-Bridged Multicarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA02417J","","","0.71073","MoKα","","0.0697","0.0634","","","0.1356","0.1392","","","","","","1.101","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219959","21.494","0.004","8.3309","0.0014","18.367","0.003","90","","121.704","0.003","90","","2798.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cu4 I4 N8 -","- C19 H20 Cu4 I4 N8 -","- C76 H80 Cu16 I16 N32 -","4","0.5","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.048","0.0369","","","0.1006","0.1201","","","","","","1.162","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219960","18.283","0.005","8.628","0.002","21.554","0.005","90","","97.845","0.005","90","","3368.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu4 I4 N10 -","- C24 H28 Cu4 I4 N10 -","- C96 H112 Cu16 I16 N40 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0698","0.0526","","","0.1355","0.1462","","","","","","1.05","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219961","15.9272","0.0008","9.005","0.0004","22.3483","0.0011","90","","102.105","0.001","90","","3134","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Cu2 I2 N4 -","- C11 H12 Cu2 I2 N4 -","- C88 H96 Cu16 I16 N32 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0322","0.0276","","","0.0541","0.0555","","","","","","1.175","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219962","7.1708","0.0004","8.4435","0.0004","12.2732","0.0006","91.226","0.0011","101.4","0.0012","111.39","0.001","674.7","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl2 N4 Zn -","- C11 H14 Cl2 N4 Zn -","- C22 H28 Cl4 N8 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0186","0.0181","","","0.0442","0.0444","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219963","9.0863","0.0003","9.2004","0.0004","14.2638","0.0006","102.256","0.001","94.334","0.001","100.742","0.001","1136.56","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N8 Zn -","- C20 H22 Cl2 N8 Zn -","- C40 H44 Cl4 N16 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0329","0.0261","","","0.0659","0.069","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219964","15.987","0.0015","18.722","0.0018","19.304","0.0019","116.971","0.002","91.384","0.002","90.88","0.002","5145.7","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 Nd3 O61 S4 -","- C78 H92 N14 Nd3 O61 S4 -","- C156 H184 N28 Nd6 O122 S8 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0737","0.0471","","","0.1034","0.1143","","","","","","1.033","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219965","15.9282","0.0012","18.6918","0.0015","19.2219","0.0015","116.848","0.002","91.344","0.002","90.928","0.002","5102.3","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 O61 S4 Sm3 -","- C78 H93 N14 O61 S4 Sm3 -","- C156 H186 N28 O122 S8 Sm6 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0416","0.0373","","","0.1069","0.1099","","","","","","1.06","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219966","7.981","0.004","11.981","0.006","15.652","0.008","106.507","0.006","104.098","0.006","97.096","0.006","1361.5","1.2","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Au Cl3 N5 O2 S2 -","- C18 H21 Au Cl3 N5 O2 S2 -","- C36 H42 Au2 Cl6 N10 O4 S4 -","2","1","","Jia, Weiguo; Dai, Yuan-Chen; Zhang, Hai-Ning; Lu, Xiaojing; Sheng, Enhong","Synthesis, Characterization of Gold Complexes with Pyridine-based SNS Ligands and as Homogeneous Catalysts for Reduction of 4-Nitrophenol","RSC Adv.","2015","","","","","10.1039/C5RA01749A","","","","","","0.198","","","","","","","","","","","","","","","has coordinates","191076","2020-10-21","18:00:00",""
"7219967","22.221","0.004","15.276","0.003","17.848","0.004","90","","103.16","0.03","90","","5899","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Cl2 N5 Ni O5 -","- C29 H29 Cl2 N5 Ni O5 -","- C232 H232 Cl16 N40 Ni8 O40 -","8","1","","Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA16755D","","","0.71073","MoKα","","0.0713","0.055","","","0.1207","0.1283","","","","","","1.128","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219968","7.6563","0.0003","35.238","0.0017","12.7241","0.0008","90","","110.532","0.004","90","","3214.8","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl2 N5 Ni O7 -","- C31 H27 Cl2 N5 Ni O7 -","- C124 H108 Cl8 N20 Ni4 O28 -","4","1","","Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA16755D","","","0.71073","MoKα","","0.0827","0.0592","","","0.1319","0.1447","","","","","","1.043","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219969","7.542","0.0015","11.202","0.002","19.311","0.004","97.04","0.03","90.51","0.03","90.79","0.03","1619","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl2 N7 Ni O5 -","- C34 H31 Cl2 N7 Ni O5 -","- C68 H62 Cl4 N14 Ni2 O10 -","2","1","","Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA16755D","","","0.71073","MoKα","","0.1155","0.071","","","0.1533","0.1738","","","","","","1.052","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219970","7.5063","0.0015","22.913","0.005","20.75","0.004","90","","92.9","0.03","90","","3564.3","1.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl2 N7 Ni O5 -","- C37 H29 Cl2 N7 Ni O5 -","- C148 H116 Cl8 N28 Ni4 O20 -","4","1","","Gao, Chun-Yan; Ma, Zhong-Ying; Zhang, Yong-Po; Li, Si-Tong; Gu, Wen; Liu, Xin; Tian, Jin-Lei; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Four related Mixed-Ligand Nickel(II) Complexes: Effect of Steric Encumbrance on the Structure, DNA/BSA binding, DNA cleavage and Cytotoxicity","RSC Adv.","2015","","","","","10.1039/C4RA16755D","","","0.71073","MoKα","","0.0777","0.0629","","","0.1753","0.1897","","","","","","1.04","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219971","10.8161","0.0013","12.6809","0.0015","13.417","0.0016","90","","111.147","0.002","90","","1716.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Co N2 O4 -","- C12 H6 Co N2 O4 -","- C48 H24 Co4 N8 O16 -","4","1","","Du, Liting; Lu, Zhiyong; Ma, Mengtao; Su, Fan; Xu, Li","A Porous Cobalt-based MOF with High CO2 Selectivity and Uptake Capacity","RSC Adv.","2015","","","","","10.1039/C5RA02756J","","","0.71073","MoKα","","0.0423","0.0381","","","0.1075","0.1096","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219972","24.4797","0.0003","24.5938","0.0003","25.2374","0.0003","118.436","0.001","111.969","0.001","94.229","0.001","11784.9","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C297.58 H466 Cu24 N35.6 O172.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","1","0.5","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives","CrystEngComm","2015","17","17","3297","","10.1039/C5CE00251F","","","1.54184","CuKα","","0.0975","0.0859","","","0.2564","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219973","15.074","0.002","3.9014","0.0004","17.001","0.003","90","","110.532","0.011","90","","936.3","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-methoxy-1-naphtaldehyde","","- C12 H10 O2.4 -","- C12 H10 O2.4 -","- C48 H40 O9.6 -","4","1","","Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E.","4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation.","Physical chemistry chemical physics : PCCP","2015","17","15","10238","10249","10.1039/c5cp00870k","","x-ray","0.71073","MoKα","","0.1244","0.059","","","0.1317","0.1567","","","","","","0.971","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219974","9.0713","0.0008","11.724","0.0011","13.873","0.0007","91.129","0.006","101.715","0.006","97.624","0.007","1430.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N S -","- C39 H27 N S -","- C78 H54 N2 S2 -","2","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Shaikh, Mobin M.","Mechanochromism and aggregation induced emission in benzothiazole substituted tetraphenylethylenes: A structure function correlation.","RSC Adv.","2015","","","","","10.1039/C5RA04881H","","","0.71073","MoKα","","0.0822","0.0521","","","0.1326","0.1583","","","","","","1.058","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7219975","8.0264","0.0001","25.9353","0.0004","14.2385","0.0002","90","","91.707","0.001","90","","2962.67","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N S -","- C39 H28 N S -","- C156 H112 N4 S4 -","4","2","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Shaikh, Mobin M.","Mechanochromism and aggregation induced emission in benzothiazole substituted tetraphenylethylenes: A structure function correlation.","RSC Adv.","2015","","","","","10.1039/C5RA04881H","","","1.5418","CuKα","","0.0486","0.0455","","","0.1283","0.133","","","","","","1.024","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7219976","6.5724","0.0001","12.7939","0.0003","19.4514","0.0005","90","","97.7056","0.0014","90","","1620.83","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-(4-bromophenyl)-3-nitro-2H-thiopyrano[2,3-b]quinoline","2-(4-bromophenyl)-3-nitro-2H-thiopyrano[2,3-b]quinoline","","- C18 H11 Br N2 O2 S -","- C18 H11 Br N2 O2 S -","- C72 H44 Br4 N8 O8 S4 -","4","1","","Vivek Kumar, Sundaravel; Muthusubramanian, Shanmugam; Subbu, Perumal","Facile “on water” domino reactions for the expedient synthesis of 2H-thiopyrano[2,3-b]quinolines","RSC Adv.","2015","","","","","10.1039/C5RA04795A","","","0.71073","MoKα","","0.0402","0.0294","","","0.0749","0.0813","","","","","","1.018","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219977","16.92","0.002","9.0785","0.0009","15.7191","0.0019","90","","110.502","0.013","90","","2261.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alpha amino amidine","2-(2-azidophenyl)-N-tert-butyl-N-phenyl-2-(phenylamino)acetimidamide","","- C24 H26 N6 -","- C24 H26 N6 -","- C96 H104 N24 -","4","1","","Sagar, A.; Babu, Venkata Nagarjuna; Sharada, Duddu. S.","Silica gel promoted environment-friendly synthesis of α-amino amidines and regioselective transformation of α-amino amidines into amidino substituted indazoles","RSC Adv.","2015","5","37","29066","","10.1039/C5RA02491A","","","1.54184","CuKα","","0.1465","0.0927","","","0.2269","0.326","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219978","11.501","0.0011","11.7613","0.0015","18.1827","0.0015","81.571","0.009","78.506","0.007","61.154","0.012","2107.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-amidino substituted 2H-indazole","N-tert-butyl-N2-diphenyl-2H-indazole-3-carboximidamide","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","2","","Sagar, A.; Babu, Venkata Nagarjuna; Sharada, Duddu. S.","Silica gel promoted environment-friendly synthesis of α-amino amidines and regioselective transformation of α-amino amidines into amidino substituted indazoles","RSC Adv.","2015","5","37","29066","","10.1039/C5RA02491A","","","1.54184","CuKα","","0.1264","0.0622","","","0.216","0.24","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219979","10.5078","0.0007","9.1266","0.0006","11.7875","0.0008","90","","99.869","0.003","90","","1113.7","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl Cu2 N4 O3 -","- C8 H8 Cl Cu2 N4 O3 -","- C32 H32 Cl4 Cu8 N16 O12 -","4","1","","Lopez_Marzo, Adaris; Guerrero, Miguel; Font-Bardia, Merce; Calvet, Teresa; Pellicer, Eva; Baro, Dolors; Pons, Josefina; Sort, Jordi","New binuclear Copper(II) Coordination Polymer based on Mixed Pyrazolic and Oxalate Ligands: Structural Characterization and Mechanical Properties","RSC Adv.","2015","","","","","10.1039/C5RA04028K","","","0.71073","MoKα","","0.0232","0.0208","","","0.0545","0.0559","","","","","","1.058","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219980","8.4025","0.0006","8.9518","0.0006","22.4061","0.0015","90","","90","","90","","1685.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Ganesan, Asaithampi; Kothandapani, Jagatheeswaran; Nanubolu, Jagadeesh Babu; Ganesan, Subramaniapillai Selva","Oleic acid: a benign Brønsted acidic catalyst for densely substituted indole derivative synthesis","RSC Adv.","2015","5","36","28597","","10.1039/C5RA02906F","","","0.71073","MoKα","","0.0398","0.038","","","0.1121","0.1139","","","","","","1.052","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219981","13.3929","0.0001","5.4658","0.0001","33.5433","0.0004","90","","97.438","0.001","90","","2434.81","0.06","130","0.1","130","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H25 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","2","","Hickey, Shane M.; Ashton, Trent D.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis of norbornane bisether antibiotics via silver-mediated alkylation","RSC Adv.","2015","5","36","28582","","10.1039/C5RA03321G","","","1.5418","CuKα","","0.0432","0.0431","","","0.1161","0.1162","","","","","","1.047","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7219982","23.457","0.0013","11.7906","0.0006","8.1237","0.0005","90","","102.585","0.004","90","","2192.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.1049","0.0555","","","0.1305","0.1547","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219983","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219984","6.7821","0.0004","22.9709","0.0013","6.9552","0.0004","90","","91.464","0.004","90","","1083.2","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0541","0.0431","","","0.1044","0.1113","","","","","","1.053","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219985","3.7233","0.0003","7.4294","0.0005","12.3158","0.001","98.262","0.004","90.019","0.004","91.709","0.005","336.99","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form I","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","1","0.5","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.0373","0.0344","","","0.0953","0.0981","","","","","","1.112","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219986","6.9765","0.0007","8.1978","0.0008","13.1421","0.001","106.725","0.005","92.458","0.005","105.171","0.006","689.04","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form II","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C28 H16 D12 N8 O12 -","2","1","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.086","0.0462","","","0.1178","0.1423","","","","","","1.005","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219987","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219988","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219989","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219990","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219991","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219992","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219993","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219994","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219995","6.401","0.002","16.234","0.005","16.417","0.005","90","","95.579","0.009","90","","1697.9","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(exo-methylene- BEDT-TTF)perchlorate.","","- C11 H8 Cl O4 S8 -","- C11 H8 Cl O4 S8 -","- C44 H32 Cl4 O16 S32 -","4","1","","Zecchini, Matteo; Lopez, Jordan R.; Allen, Scott; Coles, Simon; Wilson, Claire; Akutsu, Hiroki; Martin, Lee; Wallis, John D.","Exo-Methylene-BEDT-TTF and Alkene-functionalised BEDT-TTF Derivatives: Synthesis and Radical Cation Salts","RSC Adv.","2015","","","","","10.1039/C5RA03921E","","","0.71075","MoKα","","0.1617","0.1115","","","0.183","0.2219","","","","","","1.041","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219996","8.2014","0.0015","9.1986","0.0016","15.637","0.003","86.967","0.01","86.049","0.01","72.972","0.007","1124.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","(exo-methylene-BEDT-TTF)triiodide.0.5iodine.","","- C11 H8 I4 S8 -","- C11 H8 I4 S8 -","- C22 H16 I8 S16 -","2","1","","Zecchini, Matteo; Lopez, Jordan R.; Allen, Scott; Coles, Simon; Wilson, Claire; Akutsu, Hiroki; Martin, Lee; Wallis, John D.","Exo-Methylene-BEDT-TTF and Alkene-functionalised BEDT-TTF Derivatives: Synthesis and Radical Cation Salts","RSC Adv.","2015","","","","","10.1039/C5RA03921E","","","0.71075","MoKα","","","0.0487","","","","0.1517","","","","","","1.087","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219997","5.9156","0.0004","9.5177","0.0007","21.3112","0.0016","90","0.003","97.871","0.004","90","0.003","1188.58","0.15","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Allyloxymethyl_BEDT-TTF) diperchlorate","","- C14 H14 Cl2 O9 S8 -","- C14 H14 Cl2 O9 S8 -","- C28 H28 Cl4 O18 S16 -","2","1","","Zecchini, Matteo; Lopez, Jordan R.; Allen, Scott; Coles, Simon; Wilson, Claire; Akutsu, Hiroki; Martin, Lee; Wallis, John D.","Exo-Methylene-BEDT-TTF and Alkene-functionalised BEDT-TTF Derivatives: Synthesis and Radical Cation Salts","RSC Adv.","2015","","","","","10.1039/C5RA03921E","","","0.6889","","","0.0858","0.0792","","","0.2091","0.2176","","","","","","1.037","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219998","24.313","0.012","8.866","0.004","23.638","0.012","90","","103.544","0.006","90","","4954","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 Nd2 O21 -","- C40 H36 Ag N3 Nd2 O21 -","- C160 H144 Ag4 N12 Nd8 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.1136","0.0967","","","0.2915","0.1794","","","","","","1.098","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219999","23.964","0.002","8.7801","0.0007","23.82","0.002","90","","103.087","0.001","90","","4881.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Eu2 N3 O21 -","- C40 H36 Ag Eu2 N3 O21 -","- C160 H144 Ag4 Eu8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0636","0.0549","","","0.1649","0.1728","","","","","","1.063","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220000","23.4208","0.0018","8.7474","0.0007","24.1695","0.0019","90","","102.525","0.001","90","","4833.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Dy2 N3 O21 -","- C40 H36 Ag Dy2 N3 O21 -","- C160 H144 Ag4 Dy8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0648","0.0544","","","0.1713","0.1799","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220001","23.738","0.005","8.74","0.002","23.966","0.005","90","","102.618","0.003","90","","4852.1","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 O21 Tb2 -","- C40 H36 Ag N3 O21 Tb2 -","- C160 H144 Ag4 N12 O84 Tb8 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0698","0.0531","","","0.1625","0.1782","","","","","","1.009","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220002","8.8816","0.0009","10.0846","0.001","13.9316","0.0014","97.739","0.001","107.737","0.001","90.502","0.001","1176","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0482","0.044","","","0.116","0.1189","","","","","","1.064","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220003","8.8785","0.0009","10.0812","0.001","13.9267","0.0014","97.738","0.001","107.737","0.001","90.501","0.001","1174.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0509","0.0468","","","0.1284","0.1316","","","","","","1.041","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220005","19.576","0.006","18.535","0.006","7.8377","0.0016","90","","94.15","0.03","90","","2836.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 K0 N0 O25 Zn4 -","- C20 H4 O25 Zn4 -","- C80 H16 O100 Zn16 -","4","0.5","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0899","0.0654","","","0.2214","0.2389","","","","","","1.219","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220007","4.7895","0.0003","11.3446","0.001","12.061","0.0009","93.472","0.007","100.357","0.006","94.022","0.006","641.28","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.048","0.0414","","","0.1195","0.127","","","","","","1.064","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220009","11.011","0.003","11.867","0.004","18.154","0.006","71.519","0.005","79.676","0.005","87.614","0.005","2213.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 S10 Zn -","- C34 H24 N4 S10 Zn -","- C68 H48 N8 S20 Zn2 -","2","1","","Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.","Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange","CrystEngComm","2015","17","17","3219","","10.1039/C5CE00449G","","","0.71073","MoKα","","0.0847","0.0691","","","0.1876","0.1992","","","","","","1.112","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220010","16.7488","0.0009","12.8214","0.0009","30.458","0.002","90","","116.084","0.004","90","","5874.5","0.7","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C112 H98 Mn5 O44 -","- C108 H74 Mn5 O38 -","- C216 H148 Mn10 O76 -","2","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.1612","0.083","","","0.1674","0.1875","","","","","","1.085","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220011","11.461","0.0012","12.126","0.0014","13.13","0.002","99.683","0.004","106.979","0.003","99.307","0.005","1676.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1041","0.0628","","","0.144","0.1663","","","","","","1.015","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220012","11.429","0.0007","12.378","0.0008","12.766","0.0009","100.579","0.005","107.948","0.006","100.603","0.005","1632.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1298","0.0758","","","0.1406","0.1636","","","","","","1.145","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220013","11.4063","0.0009","12.4905","0.0007","12.9267","0.0009","101.825","0.005","108.484","0.006","99.617","0.005","1655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.0853","0.0535","","","0.1121","0.13","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220014","11.427","0.0009","12.165","0.001","13.217","0.001","100.658","0.007","107.125","0.007","98.125","0.006","1687.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0831","0.0577","","","0.1371","0.1596","","","","","","1.03","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220015","14.37","0.0012","28.431","0.002","17.883","0.002","90","","100.673","0.005","90","","7179.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Co2 N4 Na O19.5 -","- C79 H53 Co2 N4 Na O19.5 -","- C316 H212 Co8 N16 Na4 O78 -","4","1","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1142","0.0613","","","0.1348","0.1598","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220016","10.672","0.0007","12.394","0.0007","12.501","0.0007","75.378","0.005","73.453","0.005","87.968","0.005","1532.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1035","0.0607","","","0.1392","0.1673","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220017","32.986","0.0017","17.323","0.0015","28.382","0.0017","90","","148.758","0.014","90","","8411","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H71 Cu2 N8 O18.5 -","- C94 H70 Cu2 N8 O18.5 -","- C376 H280 Cu8 N32 O74 -","4","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.3418","0.1593","","","0.2424","0.2919","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220018","8.92","0.0005","15.524","0.0008","15.861","0.0008","90.076","0.004","95.216","0.004","90.973","0.004","2186.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0926","0.0591","","","0.1386","0.162","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220019","3.8788","0.0005","26.948","0.003","13.6006","0.0013","90","","93.164","0.009","90","","1419.4","0.3","270","0.1","270","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1023","0.0756","","","0.207","0.2322","","","","","","1.091","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220020","3.7998","0.0004","26.683","0.003","13.4964","0.0013","90","","92.665","0.009","90","","1366.9","0.2","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0532","0.0428","","","0.1125","0.1208","","","","","","1.131","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220021","3.8459","0.0005","26.658","0.003","14.03","0.04","90","","93.63","0.05","90","","1436","4","295","2","295","2","","","160000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0823","0.0601","","","0.1683","0.1895","","","","","","1.134","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220022","3.7825","0.0007","26.378","0.003","13.71","0.04","90","","93.76","0.06","90","","1365","4","295","2","295","2","","","640000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1279","0.1112","","","0.284","0.3072","","","","","","1.446","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220023","28.9324","0.0008","7.7007","0.0002","16.0837","0.0004","90","","107.629","0.002","90","","3415.16","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 O12 Zn2 -","- C28 H20 N6 O12 Zn2 -","- C112 H80 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.072","0.0596","","","0.211","0.2252","","","","","","1.122","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220024","28.825","0.012","7.737","0.002","16.014","0.006","90","","108.23","0.03","90","","3392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N6 O12 Zn2 -","- C30 H18 N6 O12 Zn2 -","- C120 H72 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.0726","0.0483","","","0.137","0.1544","","","","","","1.029","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220025","11.545","0.002","13.276","0.003","13.627","0.003","90","","90","","90","","2088.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4R)-ethyl 2-((S)-2-aminopropanamido)-3- (benzylthio)bicyclo[2.2.1]heptane-2-carboxylate","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C80 H112 N8 O12 S4 -","4","1","","Clerici, Francesca; Ruffoni, Alessandro; Contini, Alessandro; Soave, Raffaella; Lo Presti, Leonardo; Esposto, Irene; nava, donatella; Pellegrino, Sara; Gelmi, Maria Luisa; maffucci, irene","Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures","RSC Adv.","2015","","","","","10.1039/C5RA03805G","","","0.71073","MoKα","","0.0738","0.0468","","","0.1082","0.1231","","","","","","1.019","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220026","11.829","0.002","9.0852","0.0018","31.098","0.006","90","","91.63","0.03","90","","3340.7","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,3S,4R)-2-((S)-2-acetamidopropanamido)-N-((S)-1-((1-(((S)-1-amino-1- oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)-3- (benzylthio)bicyclo[2.2.1]hept-5-ene-2-carboxamide","","- C30 H42 N6 O6 S -","- C30 H42 N6 O6 S -","- C120 H168 N24 O24 S4 -","4","2","","Clerici, Francesca; Ruffoni, Alessandro; Contini, Alessandro; Soave, Raffaella; Lo Presti, Leonardo; Esposto, Irene; nava, donatella; Pellegrino, Sara; Gelmi, Maria Luisa; maffucci, irene","Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures","RSC Adv.","2015","","","","","10.1039/C5RA03805G","","","0.71073","MoKα","","0.0795","0.0502","","","0.1113","0.1235","","","","","","1.039","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220027","17.7791","0.0004","6.9703","0.0001","20.0532","0.0005","90","","95.015","0.002","90","","2475.59","0.09","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 N3 O9 -","- C24 H33 N3 O9 -","- C96 H132 N12 O36 -","4","1","","Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH","Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight","RSC Adv.","2015","","","","","10.1039/C5RA03864B","","","0.71073","MoKα","","0.0909","0.0645","","","0.1696","0.1903","","","","","","1.026","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220028","23.9467","0.0016","23.9467","0.0016","21.2999","0.001","90","","90","","120","","10577.9","1.1","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C378 H486 N54 O162 -","18","3","","Paikar, Arpita; Pramanik, Apurba; HALDAR, DEBASISH","Influence of side-chains interactions on the self-assembly of discotic tricarboxyamides: A crystallographic insight","RSC Adv.","2015","","","","","10.1039/C5RA03864B","","x-ray","0.71073","MoKα","","0.1671","0.0783","","","0.1388","0.1678","","","","","","0.937","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220029","10.1917","0.0006","13.1711","0.0008","21.6852","0.0012","90","","90","","90","","2910.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl N O8 -","- C33 H34 Cl N O8 -","- C132 H136 Cl4 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.0859","0.0582","","","0.1259","0.1535","","","","","","1.033","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220030","10.9438","0.0004","14.3642","0.0005","19.1003","0.0007","90","","90","","90","","3002.55","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl N O8 -","- C33 H34 Cl N O8 -","- C132 H136 Cl4 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.1013","0.0571","","","0.0964","0.1233","","","","","","1.006","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220031","10.7476","0.0009","14.2825","0.0012","19.7165","0.0017","90","","90","","90","","3026.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O8 -","- C34 H37 N O8 -","- C136 H148 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.1148","0.0603","","","0.1106","0.1435","","","","","","1.063","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220032","8.07021","0.0001","19.1975","0.0003","17.7338","0.0002","90","","93.6245","0.0011","90","","2741.96","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N3 O S6 Yb -","- C25 H22 N3 O S6 Yb -","- C100 H88 N12 O4 S24 Yb4 -","4","1","","Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N.","Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides.","Physical chemistry chemical physics : PCCP","2015","17","16","11000","11005","10.1039/c4cp05928j","","","0.71073","MoKα","","0.0292","0.021","","","0.0401","0.0417","","","","","","1.013","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220033","10.134","0.005","11.529","0.005","11.698","0.005","107.863","0.005","95.831","0.005","92.552","0.005","1290","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O10 Zn2 -","- C25 H27 N O10 Zn2 -","- C50 H54 N2 O20 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0675","0.0433","","","0.0944","0.1046","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220034","10.1815","0.0011","11.5501","0.0012","11.6759","0.0012","108.454","0.001","96.56","0.002","92.829","0.002","1288.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Co2 N O10 -","- C25 H27 Co2 N O10 -","- C50 H54 Co4 N2 O20 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0497","0.0406","","","0.1043","0.1105","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220035","10.706","0.0005","11.234","0.0005","11.467","0.0006","93.608","0.001","111.597","0.001","107.995","0.001","1195.02","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O9 Zn2 -","- C23 H23 N O9 Zn2 -","- C46 H46 N2 O18 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0377","0.0293","","","0.0725","0.0766","","","","","","1.056","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220036","16.635","0.005","9.405","0.005","25.855","0.005","90","","96.657","0.005","90","","4018","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Co2 N O12 -","- C39 H47 Co2 N O12 -","- C156 H188 Co8 N4 O48 -","4","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0884","0.0481","","","0.117","0.1485","","","","","","1.037","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220037","12.913","0.001","13.7018","0.001","14.1084","0.0011","114.394","0.001","107.217","0.001","98.206","0.001","2068.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cd N9 O14 -","- C41 H31 Cd N9 O14 -","- C82 H62 Cd2 N18 O28 -","2","1","","Roy, Subhadip; Bauza, Antonio; Frontera, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata","Experimental observation and theoretical investigation of a novel Cd(ii) complex with π-hole interactions involving nitro groups","CrystEngComm","2015","17","21","3912","","10.1039/C5CE00453E","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0858","","","","","","0.981","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220038","6.1074","0.001","7.4893","0.0012","35.8612","0.0015","90","","90","","90","","1640.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Tang, Hui-Hui; Zhang, Lu; Zeng, Li-Li; Fang, Xue-Ming; Lin, Li-Rong; Zhang, Hui","A Pair of Schiff Base Enantiomers Studied by Absorption, Fluorescence, Electronic and Vibrational Circular Dichroism Spectroscopies and Density Functional Theory Calculation","RSC Adv.","2015","","","","","10.1039/C5RA02154E","","","0.71073","MoKα","","0.0883","0.0536","","","0.0942","0.1093","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220039","18.7857","0.0003","39.0027","0.0006","27.3636","0.0004","90","","99.208","0.001","90","","19790.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C145 H177 Cl Mn14 O59 P6 S12 -","- C145 H157 Cl Mn14 O59 P6 S12 -","- C580 H628 Cl4 Mn56 O236 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pan, Jie; Pang, Jiandong; Wan, Xiuyan; Hu, Falu; Hong, Maochun","Self-assembly of two high-nuclearity manganese calixarene-phosphonate clusters: diamond-Like Mn16 and drum-Like Mn14","RSC Adv.","2015","","","","","10.1039/C5RA02530C","","","0.71073","MoKα","","0.0758","0.0561","","","0.1335","0.1428","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220040","34.378","0.004","28.14","0.004","22.849","0.003","90","","90","","90","","22104","5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C166 H89 Cl Mn16 N0 O69 P8 S12 -","- C166 H164 Cl Mn16 O69 P8 S12 -","- C664 H656 Cl4 Mn64 O276 P32 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pan, Jie; Pang, Jiandong; Wan, Xiuyan; Hu, Falu; Hong, Maochun","Self-assembly of two high-nuclearity manganese calixarene-phosphonate clusters: diamond-Like Mn16 and drum-Like Mn14","RSC Adv.","2015","","","","","10.1039/C5RA02530C","","","0.71073","MoKα","","0.0836","0.0709","","","0.1987","0.2137","","","","","","1.086","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220041","20.775","0.007","6.04","0.002","7.497","0.003","90","","90","","90","","940.7","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Zhao, Jingjing; Li, Pan; Xia, Chungu; li, fuwei","Metal-free regioselective C-3 nitration of quinoline N-oxides with tert-butyl nitrite","RSC Adv.","2015","","","","","10.1039/C5RA04632G","","","0.71073","MoKα","","0.205","0.1825","","","0.3697","0.3791","","","","","","1.015","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220042","23.824","0.003","10.3816","0.0012","17.6818","0.0019","90","","99.662","0.004","90","","4311.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C200 H192 N16 O40 -","8","1","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.0712","0.0466","","","0.1132","0.1258","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220043","11.947","0.002","15.249","0.003","25.716","0.004","90","","90","","90","","4684.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O6 -","- C25 H23 Cl N2 O6 -","- C200 H184 Cl8 N16 O48 -","8","2","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.0755","0.0474","","","0.1002","0.1112","","","","","","1.052","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220044","9.4108","0.001","10.1366","0.0012","13.4852","0.0014","70.823","0.003","77.865","0.003","73.128","0.003","1153.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Cl N2 O5 S -","- C24 H21 Cl N2 O5 S -","- C48 H42 Cl2 N4 O10 S2 -","2","1","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.0715","0.0483","","","0.1139","0.1249","","","","","","1.044","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220045","10.0841","0.0017","11.1503","0.0019","14.319","0.003","111.322","0.002","104.083","0.002","90.975","0.002","1444.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N2 O9 -","- C32 H32 N2 O9 -","- C64 H64 N4 O18 -","2","1","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.0505","0.042","","","0.1238","0.1304","","","","","","1.098","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220046","10.2","0.002","12.129","0.002","22.985","0.004","90","","92.804","0.006","90","","2840.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 F N2 O9 -","- C28 H31 F N2 O9 -","- C112 H124 F4 N8 O36 -","4","1","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.113","0.0616","","","0.1774","0.2162","","","","","","1.091","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220047","10.1343","0.0015","11.2188","0.0015","12.5542","0.0019","78.184","0.008","70.207","0.008","73.573","0.008","1278.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br N2 O2 S2 -","- C25 H25 Br N2 O2 S2 -","- C50 H50 Br2 N4 O4 S4 -","2","1","","SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai","One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals","RSC Adv.","2015","","","","","10.1039/C5RA05123A","","","0.71073","","","0.0462","0.0344","","","","0.0847","","","","","","1.0181","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220048","8.447","0.0007","9.8593","0.0008","16.5886","0.0014","76.597","0.004","84.274","0.004","78.148","0.004","1313.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N3 O4 S2 -","- C28 H31 N3 O4 S2 -","- C56 H62 N6 O8 S4 -","2","1","","SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai","One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals","RSC Adv.","2015","","","","","10.1039/C5RA05123A","","","0.71073","MoKα","","0.0472","0.0399","","","0.1063","0.1109","","","","","","0.952","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220049","18.2286","0.0012","9.6157","0.0006","30.5098","0.0019","90","","105.463","0.003","90","","5154.2","0.6","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H25 Br N3 O4 S2 -","- C25 H25 Br N3 O4 S2 -","- C200 H200 Br8 N24 O32 S16 -","8","2","","SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai","One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals","RSC Adv.","2015","","","","","10.1039/C5RA05123A","","","0.71073","","","0.0772","0.0474","","","","0.1254","","","","","","1.0506","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220050","7.4344","0.0006","12.6293","0.0009","15.4003","0.0011","88.602","0.002","77.468","0.002","84.525","0.002","1405.05","0.18","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Br N2 O3 S2 -","- C30 H29 Br N2 O3 S2 -","- C60 H58 Br2 N4 O6 S4 -","2","1","","SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai","One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals","RSC Adv.","2015","","","","","10.1039/C5RA05123A","","","0.71073","MoKα","","0.1488","0.0623","","","0.1274","0.1646","","","","","","0.8957","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220051","11.693","0.002","14.583","0.003","17.761","0.004","90","","90","","90","","3028.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl2 Co N3 -","- C28 H31 Cl2 Co N3 -","- C112 H124 Cl8 Co4 N12 -","4","1","","Ba, Junjun; Du, Shizhen; Yue, Erlin; Hu, Xinquan; Flisak, Zygmunt; Sun, Wen Hua","Constrained formation of 2-(1-(arylimino)ethyl)-7-arylimino-6,6-dimethylcyclopentapyridines and their cobalt(II) chloride com-plexes: synthesis, characterization and ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA04722F","","","0.71073","MoKα","","0.071","0.0682","","","0.1863","0.189","","","","","","1.105","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220052","15.556","0.004","16.925","0.004","20.273","0.006","99.47","0.003","110.249","0.002","98.841","0.003","4810","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 Cl2 Co N3 O0 -","- C32 H39 Cl2 Co N3 -","- C192 H234 Cl12 Co6 N18 -","6","3","","Ba, Junjun; Du, Shizhen; Yue, Erlin; Hu, Xinquan; Flisak, Zygmunt; Sun, Wen Hua","Constrained formation of 2-(1-(arylimino)ethyl)-7-arylimino-6,6-dimethylcyclopentapyridines and their cobalt(II) chloride com-plexes: synthesis, characterization and ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA04722F","","","0.71073","MoKα","","0.0686","0.0593","","","0.1502","0.1537","","","","","","1.041","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220053","32.105","0.005","15.068","0.005","9.331","0.005","90","","90.772","0.005","90","","4514","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)","","- C48 H96 N28 Ni3 O10 W2 -","- C47.9996 H48 N28 Ni3 O10 W2 -","- C95.9992 H96 N56 Ni6 O20 W4 -","2","0.25","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara","Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies","CrystEngComm","2015","17","18","3526","","10.1039/C5CE00287G","","","0.71069","MoKα","","0.0354","0.0307","","","0.0866","0.0892","","","","","","1.102","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220054","14.539","0.003","9.1699","0.0018","13.7","0.003","90","","116.31","0.03","90","","1637.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N4 O12 U -","- C12 H10 N4 O12 U -","- C48 H40 N16 O48 U4 -","4","0.5","","Zhang, Yingjie; Karatchevtseva, Inna; Price, Jason R.; aharonovich, igor; Kadi, Fatima; Lumpkin, Gregory R.; Li, Feng","Uranium(VI) complexes with isonicotinic acid: from monomer to 2D polymer with unique U-N bonding","RSC Adv.","2015","","","","","10.1039/C5RA01272D","","","0.7293","Synchrotron","","0.0223","0.02","","","0.0552","0.0573","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220055","10.191","0.002","8.603","0.0017","18.665","0.004","90","","90","","90","","1636.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H5 N O5 U -","- C6 H5 N O5 U -","- C48 H40 N8 O40 U8 -","8","1","","Zhang, Yingjie; Karatchevtseva, Inna; Price, Jason R.; aharonovich, igor; Kadi, Fatima; Lumpkin, Gregory R.; Li, Feng","Uranium(VI) complexes with isonicotinic acid: from monomer to 2D polymer with unique U-N bonding","RSC Adv.","2015","","","","","10.1039/C5RA01272D","","","0.7293","Synchrotron","","0.033","0.0305","","","0.0756","0.0772","","","","","","1.107","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220056","8.3236","0.0003","5.6787","0.0002","22.6705","0.0007","90","","90.581","0.003","90","","1071.52","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cu2 N6 -","- C28 H16 Cu2 N6 -","- C56 H32 Cu4 N12 -","2","0.5","","Zhang, Pan; Yang, Xin; Jiang, Peng Gang; Yin, Jun Li; Gong, Yun; Lin, Jian Hua","Cu(I) complex based on 6H-indolo[2,3-b]quinoxaline: structure and electrocatalytic property for hydrogen evolution reaction from water","RSC Adv.","2015","","","","","10.1039/C5RA02769A","","","0.71073","MoKα","","0.0773","0.0472","","","0.1207","0.1273","","","","","","1.1","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220057","5.9177","0.0005","9.092","0.008","18.7984","0.0019","90","","91.947","0.001","90","","1010.8","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","","Zhang, Pan; Yang, Xin; Jiang, Peng Gang; Yin, Jun Li; Gong, Yun; Lin, Jian Hua","Cu(I) complex based on 6H-indolo[2,3-b]quinoxaline: structure and electrocatalytic property for hydrogen evolution reaction from water","RSC Adv.","2015","","","","","10.1039/C5RA02769A","","","0.71073","MoKα","","0.1337","0.0754","","","0.1659","0.2059","","","","","","1.048","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220058","12.306","0.0006","12.306","0.0006","18.4537","0.0007","90","","90","","120","","2420.18","0.19","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C22 H42 Cl2 Cu N10 O7 -","- C22 H36 Cl1.99 Cu N10 O7 -","- C66 H108 Cl5.97 Cu3 N30 O21 -","3","0.5","","Wojciechowska, Agnieszka; Gągor, Anna; Zierkiewicz, Wiktor; Jarząb, Anna; Dylong, Agnieszka; Duczmal, Marek","Metal-organic framework in L-argininato copper(II) ions polymer - structure, spectroscopic properties, theoretical studies and microbiological activity","RSC Adv.","2015","","","","","10.1039/C5RA02790J","","","0.71073","MoKα","","0.0952","0.0571","","","0.1148","0.1324","","","","","","0.962","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220059","6.7137","0.0007","13.1237","0.0014","11.9402","0.0012","90","","120.524","0.006","90","","906.24","0.17","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.06862","","1.09","","","","","","","has coordinates","291143","2024-04-09","08:49:27",""
"7220060","6.6535","0.0005","12.9636","0.001","11.851","0.0009","90","","120.203","0.004","90","","883.42","0.12","2.5","","2.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.03762","","1.14","","","","","","","has coordinates","291143","2024-04-09","08:49:46",""
"7220061","6.6676","0.0007","7.3731","0.0007","21.962","0.003","98.895","0.009","91.912","0.009","99.057","0.008","1051.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O3 -","- C24 H26 N4 O3 -","- C48 H52 N8 O6 -","2","1","","Schröder, Felix; Ojeda, Manuel; Erdmann, Nico; Jacobs, Jeroen; Luque, Rafael; Noël, Timothy; Van Meervelt, Luc; Van der Eycken, Johan; Van der Eycken, Erik V.","Supported gold nanoparticles as efficient and reusable heterogeneous catalyst for cycloisomerization reactions","Green Chem.","2015","17","6","3314","","10.1039/C5GC00430F","","","0.7107","MoKα","","0.0632","0.0563","","","0.1475","0.1519","","","","","","1.076","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220062","13.3119","0.0005","10.7033","0.0004","13.8141","0.0004","90","","91.8261","0.0012","90","","1967.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","quinoline fused isoxazole","quinoline","","- C22 H16 F N5 O3 -","- C22 H16 F N5 O3 -","- C88 H64 F4 N20 O12 -","4","1","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.0512","0.0373","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220063","24.9048","0.0006","9.498","0.0002","22.2694","0.0006","90","","110.723","0.001","90","","4926.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","spiro","","- C30 H22 N4 O4.5 S0.5 -","- C30 H22 N4 O4.5 S0.5 -","- C240 H176 N32 O36 S4 -","8","2","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.2374","0.0662","","","0.1511","0.2177","","","","","","0.942","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7220064","7.671","0.005","6.82","0.005","25.658","0.018","90","","94.011","0.01","90","","1339","1.6","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl2 Eu K N2 O11 -","- C20 H26 Cl2 Eu K N2 O11 -","- C40 H52 Cl4 Eu2 K2 N4 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.1181","0.0883","","","0.1973","0.2189","","","","","","1.089","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220065","11.1063","0.0004","11.3995","0.0005","14.9133","0.0006","111.966","0.001","91.32","0.001","111.127","0.001","1605.93","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Cl Eu N5 O6 -","- C34 H27 Cl Eu N5 O6 -","- C68 H54 Cl2 Eu2 N10 O12 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.0363","0.0282","","","0.0657","0.0757","","","","","","1.072","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220066","14.8782","0.0013","13.0813","0.0009","17.2576","0.0014","90","","110.253","0.002","90","","3151.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Eu N5 O8 -","- C32 H22 Eu N5 O8 -","- C128 H88 Eu4 N20 O32 -","4","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.1072","0.0547","","","0.1378","0.169","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220067","7.842","0.005","11.416","0.007","16.613","0.01","81.716","0.007","87.825","0.007","79.381","0.007","1446.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Eu N3 O11 -","- C30 H28 Eu N3 O11 -","- C60 H56 Eu2 N6 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.064","0.0586","","","0.1645","0.1667","","","","","","1.192","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220068","7.846","0.0016","11.39","0.002","16.62","0.003","81.81","0.03","87.79","0.03","79.34","0.03","1444.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N3 O11 Sm -","- C30 H28 N3 O11 Sm -","- C60 H56 N6 O22 Sm2 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.0449","0.0353","","","0.0838","0.0875","","","","","","1.074","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220069","7.8374","0.0016","11.382","0.002","16.602","0.003","81.96","0.03","87.88","0.03","79.49","0.03","1441.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Gd N3 O11 -","- C30 H28 Gd N3 O11 -","- C60 H56 Gd2 N6 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.0331","0.0297","","","0.1001","0.1075","","","","","","0.925","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220070","7.834","0.003","11.385","0.004","16.574","0.006","81.799","0.004","87.851","0.004","79.435","0.004","1438.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N3 O11 Tb -","- C30 H28 N3 O11 Tb -","- C60 H56 N6 O22 Tb2 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.1074","0.1029","","","0.2206","0.2228","","","","","","1.214","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220071","7.8379","0.0016","11.39","0.002","16.582","0.003","81.94","0.03","87.87","0.03","79.35","0.03","1440.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Dy N3 O11 -","- C30 H28 Dy N3 O11 -","- C60 H56 Dy2 N6 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.0439","0.0361","","","0.092","0.096","","","","","","1.092","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220072","7.821","0.003","11.361","0.003","16.558","0.005","81.889","0.004","88.034","0.012","79.629","0.003","1432.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Ho N3 O11 -","- C30 H29 Ho N3 O11 -","- C60 H58 Ho2 N6 O22 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Wang, Ping; Wang, Xinming; Gao, Song; Dong, Yuwei; Wang, Yulei; Yang, Yulin","Structure variations of series lanthanide complexes constructed from quinoline carboxylate ligand: photoluminescent properties and PMMA matrices doping","RSC Adv.","2015","","","","","10.1039/C5RA01796C","","","0.71073","MoKα","","0.05","0.0401","","","0.1166","0.1257","","","","","","1.165","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220073","29.102","0.006","8.9545","0.0011","23.517","0.004","90","","107.38","0.02","90","","5848.6","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","spirooxindole pyrrolidine","","- C35 H25 Cl F N5 O3 -","- C35 H25 Cl F N5 O3 -","- C280 H200 Cl8 F8 N40 O24 -","8","1","","M, Rajeswari; Sindhu, Jayant; Singh, Harjinder; Khurana, Jitender","An efficient, green synthesis of novel regioselective and stereoselective indan-1,3-diones grafted spirooxindolopyrrolizidines linked 1,2,3-triazoles via one-pot five-component using PEG-400","RSC Adv.","2015","","","","","10.1039/C5RA03505H","","","0.71073","MoKα","","0.0692","0.0567","","","0.2272","0.2433","","","","","","1.009","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220074","6.97","0.004","16.371","0.008","11.719","0.006","90","","100","0.008","90","","1316.9","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.0611","0.0484","","","0.124","0.1346","","","","","","1.047","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220075","7.8075","0.0006","9.3259","0.0005","12.6323","0.001","97.038","0.006","107.168","0.007","109.563","0.006","802.65","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O5 -","- C17 H17 N3 O5 -","- C34 H34 N6 O10 -","2","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.0857","0.0461","","","0.106","0.1247","","","","","","0.94","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220076","7.6965","0.0005","9.3446","0.0006","11.9676","0.0009","76.523","0.006","86.187","0.006","67.033","0.007","770.38","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.0817","0.0524","","","0.1368","0.1604","","","","","","1.033","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220077","6.2836","0.0006","8.1666","0.001","34.87","0.003","90","","90","","90","","1789.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.071","0.0466","","","0.097","0.1138","","","","","","1.049","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220078","7.0998","0.0011","16.265","0.003","14.012","0.003","90","","97.333","0.018","90","","1604.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.1102","0.0573","","","0.1515","0.1966","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220079","13.1744","0.0004","14.897","0.0004","21.1083","0.0007","90","","90.01","","90","","4142.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C184 H248 N8 O24 -","8","2","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71","MoKα","","0.0734","0.0447","","","0.0976","0.1141","","","","","","1.031","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7220080","16.409","0.001","11.6515","0.0004","15.1195","0.001","90","","114.91","0.007","90","","2621.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N2 O6 -","- C34 H24 N2 O6 -","- C136 H96 N8 O24 -","4","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.0882","0.0555","","","0.102","0.1151","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220081","13.2091","0.0006","13.3548","0.0007","16.3937","0.0009","70.325","0.005","72.633","0.004","64.418","0.004","2415.9","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H41 B Cl4 Cu F4 N3 O P2 -","- C52 H41 B Cl4 Cu F4 N3 O P2 -","- C104 H82 B2 Cl8 Cu2 F8 N6 O2 P4 -","2","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","Four highly efficient cuprous complexes and their applications in solution-processed organic light-emitting diodes","RSC Adv.","2015","","","","","10.1039/C5RA04591F","","","1.54178","CuKα","","0.0548","0.0534","","","0.1976","0.204","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7220082","22.372","0.005","19.795","0.004","21.048","0.005","90","","97.376","0.004","90","","9244","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H41 B Cu F4 N3 O P2 -","- C51 H41 B Cu F4 N3 O P2 -","- C408 H328 B8 Cu8 F32 N24 O8 P16 -","8","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","Four highly efficient cuprous complexes and their applications in solution-processed organic light-emitting diodes","RSC Adv.","2015","","","","","10.1039/C5RA04591F","","","0.71073","MoKα","","0.0705","0.0651","","","0.2061","0.2128","","","","","","1.078","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220083","22.0434","0.0004","20.1776","0.0003","20.7778","0.0003","90","","93.697","0.002","90","","9222.4","0.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 B Cu F7 N3 O2 P2 -","- C53 H38 B Cu F7 N3 O2 P2 -","- C424 H304 B8 Cu8 F56 N24 O16 P16 -","8","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","Four highly efficient cuprous complexes and their applications in solution-processed organic light-emitting diodes","RSC Adv.","2015","","","","","10.1039/C5RA04591F","","","1.54178","CuKα","","0.0435","0.0404","","","0.1229","0.127","","","","","","0.994","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220084","9.897","0.003","13.698","0.004","18.292","0.005","90.898","0.003","90.739","0.002","108.964","0.005","2344.5","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H38 B Cu F7 N3 O P2 -","- C51 H38 B Cu F7 N3 O P2 -","- C102 H76 B2 Cu2 F14 N6 O2 P4 -","2","1","","Zhang, Qing; Chen, Xu-Lin; Chen, Jun; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","Four highly efficient cuprous complexes and their applications in solution-processed organic light-emitting diodes","RSC Adv.","2015","","","","","10.1039/C5RA04591F","","","0.71073","MoKα","","0.0814","0.0606","","","0.1841","0.2075","","","","","","1.001","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220085","8.1414","0.0006","8.9768","0.0007","8.9788","0.0007","75.259","0.001","87.305","0.001","65.104","0.001","574.28","0.08","","","","","","","","","","","","4","P -1","-P 1","2","2-amino-8a-methoxy-6,7,8,8a-tetrahydro-4H-chromene-3,4,4(4aH,5H)-tricarbonitrile","2-amino-8a-methoxy-6,7,8,8a-tetrahydro-4H-chromene-3,4,4(4aH,5H)-tricarbonitrile","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","","Ershov, Oleg V.; Fedoseev, Sergey V.; Belikov, Mikhail Yu; Ievlev, Mikhail Yu","Domino-Synthesis and Fluorescent Properties of 4-cyano-2-oxo-1,2-dihydropyridine-3-carboxamides and 2-oxo-1,2-dihydropyridine-3,4-dicarbonitriles","RSC Adv.","2015","","","","","10.1039/C5RA01642H","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7220086","9.4797","0.0019","27.33","0.006","9.775","0.002","90","","117.1","0.03","90","","2254.5","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei","Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates","RSC Adv.","2015","","","","","10.1039/C5RA04374C","","","0.71073","MoKα","","0.0938","0.0823","","","0.2255","0.2419","","","","","","1.135","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220087","8.5503","0.0019","17.424","0.004","15.187","0.003","90","","97.211","0.003","90","","2244.7","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei","Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates","RSC Adv.","2015","","","","","10.1039/C5RA04374C","","","0.71073","MoKα","","0.0661","0.0606","","","0.126","0.1298","","","","","","1.196","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220088","9.3145","0.0019","9.4037","0.0019","12.365","0.003","103.68","0.03","92.51","0.03","95.23","0.03","1045.6","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Br N2 O3 -","- C24 H23 Br N2 O3 -","- C48 H46 Br2 N4 O6 -","2","1","","Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei","Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates","RSC Adv.","2015","","","","","10.1039/C5RA04374C","","","0.71073","MoKα","","0.0424","0.0378","","","0.0779","0.0802","","","","","","1.106","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220089","8.5283","0.0017","11.326","0.002","11.349","0.002","112.58","0.03","97.17","0.03","97.42","0.03","985.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 F N2 O3 -","- C24 H21 F N2 O3 -","- C48 H42 F2 N4 O6 -","2","1","","Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei","Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates","RSC Adv.","2015","","","","","10.1039/C5RA04374C","","","0.71073","MoKα","","0.0689","0.0596","","","0.1294","0.1349","","","","","","1.121","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220090","9.4629","0.0019","10.003","0.002","14.426","0.003","97.33","0.03","104.2","0.03","110.31","0.03","1207","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C56 H56 N4 O8 S2 -","2","1","","Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei","Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates","RSC Adv.","2015","","","","","10.1039/C5RA04374C","","","0.71073","MoKα","","0.0661","0.0553","","","0.1086","0.1145","","","","","","1.151","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220092","30.3688","0.0018","26.6704","0.0015","21.7986","0.0012","90","","109.056","0.0016","90","","16688.2","1.7","277","","277","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C544 H576 Au16 Cl16 N32 O40 P16 -","8","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.1348","0.0542","","","0.1418","0.1788","","","","","","0.832","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220093","10.6798","0.0006","14.292","0.0007","22.3083","0.0013","97.4663","0.0016","90.7906","0.0016","91.1556","0.0014","3375","0.3","277","","277","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C138 H152 Au4 Cl4 N8 O12 P4 -","2","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.2","0.0827","","","0.1781","0.2321","","","","","","0.964","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220094","18.67","0.004","16.82","0.003","22.72","0.005","90","","110.933","0.003","90","","6664","2","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 Au4 Cl2 F6 N3 O0 P2 S6 Sb -","- C49 H56 Au4 F6 N3 P2 S6 Sb -","- C196 H224 Au16 F24 N12 P8 S24 Sb4 -","4","1","","Chen, Zhong-Ning; Li, Jia; Zhu, Xiaofeng; Zhang, Li-Yi","Structures and Luminescent Properties of Diethyldithiocarbamate-Bridged Polynuclear Gold(I) Cluster Complexes with Diphosphine/Triphosphine","RSC Adv.","2015","","","","","10.1039/C5RA01831E","","","0.71073","MoKα","","0.0724","0.0624","","","0.1712","0.1842","","","","","","1.028","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220095","13.747","0.006","14.952","0.006","19.077","0.009","93.19","0.005","107.365","0.006","97.674","0.005","3690","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H68 Au4.5 Cl2 F9 N4 P2 S8 Sb1.5 -","- C55 H68 Au4.5 Cl2 F9 N4 P2 S8 Sb1.5 -","- C110 H136 Au9 Cl4 F18 N8 P4 S16 Sb3 -","2","1","","Chen, Zhong-Ning; Li, Jia; Zhu, Xiaofeng; Zhang, Li-Yi","Structures and Luminescent Properties of Diethyldithiocarbamate-Bridged Polynuclear Gold(I) Cluster Complexes with Diphosphine/Triphosphine","RSC Adv.","2015","","","","","10.1039/C5RA01831E","","","0.71073","MoKα","","0.077","0.0549","","","0.1393","0.1839","","","","","","0.947","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7220096","15.586","0.004","27.054","0.006","33.449","0.008","90","","90","","90","","14104","6","293","2","293","2","","","","","","","","10","P b c n","-P 2n 2ab","60","","","","- C54 H60 Au4 Cl2 F6 N3 O P2 S6 Sb -","- C54 H60 Au4 Cl2 F6 N3 O P2 S6 Sb -","- C432 H480 Au32 Cl16 F48 N24 O8 P16 S48 Sb8 -","8","1","","Chen, Zhong-Ning; Li, Jia; Zhu, Xiaofeng; Zhang, Li-Yi","Structures and Luminescent Properties of Diethyldithiocarbamate-Bridged Polynuclear Gold(I) Cluster Complexes with Diphosphine/Triphosphine","RSC Adv.","2015","","","","","10.1039/C5RA01831E","","","0.71073","MoKα","","0.0591","0.0509","","","0.145","0.1522","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220097","16.476","0.006","19.474","0.008","18.238","0.007","90","","95.004","0.004","90","","5829","4","293","2","293","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C83 H96 Au6 F18 N3 P6 S6 Sb3 -","- C83 H96 Au6 F18 N3 P6 S6 Sb3 -","- C166 H192 Au12 F36 N6 P12 S12 Sb6 -","2","0.5","","Chen, Zhong-Ning; Li, Jia; Zhu, Xiaofeng; Zhang, Li-Yi","Structures and Luminescent Properties of Diethyldithiocarbamate-Bridged Polynuclear Gold(I) Cluster Complexes with Diphosphine/Triphosphine","RSC Adv.","2015","","","","","10.1039/C5RA01831E","","","0.71073","MoKα","","0.1083","0.0782","","","0.2076","0.2294","","","","","","0.983","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220098","8.5712","0.0011","20.565","0.002","25.986","0.003","90","","90","","90","","4580.5","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 Cl3 N O13 -","- C43 H54 Cl3 N O13 -","- C172 H216 Cl12 N4 O52 -","4","1","","Lin, Zhenjian; Ma, Xinhua; Wei, Hongjuan; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Spicarins A-D from Acetylated Extract of Fungus Spicaria elegans KLA03","RSC Adv.","2015","","","","","10.1039/C5RA01923K","","","0.71073","MoKα","","0.1525","0.0715","","","0.1678","0.1901","","","","","","1.067","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220099","11.4015","0.001","17.329","0.002","16.077","0.002","90","","91.486","0.002","90","","3175.4","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O15 -","- C31 H32 O15 -","- C124 H128 O60 -","4","1","","Lin, Zhenjian; Ma, Xinhua; Wei, Hongjuan; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Spicarins A-D from Acetylated Extract of Fungus Spicaria elegans KLA03","RSC Adv.","2015","","","","","10.1039/C5RA01923K","","","0.71073","MoKα","","0.1486","0.0635","","","0.1548","0.2171","","","","","","1.022","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220100","23.0522","0.0011","15.757","0.0007","23.8647","0.0011","90","","90.917","0.001","90","","8667.3","0.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H107 Mn2 Mo24 N11 Na3 O131 P16 -","- C71.5 H88 Mn2 Mo24 N11 Na3 O131 P16 -","- C143 H176 Mn4 Mo48 N22 Na6 O262 P32 -","2","0.5","","Gong, Kaining; Liu, Yunping; Han, Zhangang","Manganese-Phosphomolybdate Molecular Catalyst for Electron Transfer Reaction of Ferricyanide to Ferrocyanide","RSC Adv.","2015","","","","","10.1039/C5RA06018D","","","0.71073","MoKα","","0.059","0.0472","","","0.1193","0.1299","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220101","21.1291","0.0011","18.4006","0.0009","21.8843","0.0011","90","","100.796","0.001","90","","8357.8","0.7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Mn2 Mo12 N4 Na4 O71 P8 -","- C26 H52 Mn2 Mo12 N4 Na4 O71 P8 -","- C104 H208 Mn8 Mo48 N16 Na16 O284 P32 -","4","0.5","","Gong, Kaining; Liu, Yunping; Han, Zhangang","Manganese-Phosphomolybdate Molecular Catalyst for Electron Transfer Reaction of Ferricyanide to Ferrocyanide","RSC Adv.","2015","","","","","10.1039/C5RA06018D","","","0.71073","MoKα","","0.0311","0.0293","","","0.0878","0.0893","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220102","29.508","0.019","23.454","0.015","15.429","0.01","90","","90","","90","","10678","12","296","2","296","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C52 H70 Mn3 Mo12 N8 Na3 O75 P9 -","- C52 H70 Mn3 Mo12 N8 Na3 O75 P9 -","- C208 H280 Mn12 Mo48 N32 Na12 O300 P36 -","4","0.5","","Gong, Kaining; Liu, Yunping; Han, Zhangang","Manganese-Phosphomolybdate Molecular Catalyst for Electron Transfer Reaction of Ferricyanide to Ferrocyanide","RSC Adv.","2015","","","","","10.1039/C5RA06018D","","","0.71073","MoKα","","0.0373","0.0338","","","0.1015","0.105","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220103","9.1521","0.0004","11.4375","0.0004","19.7882","0.0006","90","","90","","90","","2071.37","0.13","291","2","291","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Denißen, Melanie; Nordmann, Jan; Dziambor, Julian; Mayer, Bernhard; Frank, Walter; Müller, Thomas J. J.","Sequential palladium catalyzed coupling‒cyclocondensation‒coupling (C3) four-component synthesis of intensively blue luminescent biarylsubstituted pyrazoles","RSC Adv.","2015","5","43","33838","","10.1039/C5RA03104D","","","0.71073","MoKα","","0.0338","0.0324","","","0.0913","0.0925","","","","","","1.052","","","","has coordinates","135719","2020-10-21","18:00:00",""
"7220104","9.826","0.0001","14.5902","0.0002","10.3473","0.0001","90","","99.443","0.001","90","","1463.32","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C62 H76 O22 -","2","1","","Li, Hui; Li, Yi; Wang, Xiao-Bing; Pang, Tao; Zhang, luyong; Luo, Jun; Kong, Ling-Yi","Mexicanolide limonoids with in vitro neuroprotective activities from seeds of Khaya senegalensis","RSC Adv.","2015","","","","","10.1039/C5RA05006E","","","1.54184","CuKα","","0.037","0.0364","","","0.1049","0.1064","","","","","","1.079","","","","has coordinates","135720","2020-10-21","18:00:00",""
"7220105","16.934","0.007","10.365","0.004","7.251","0.003","90","","92.875","0.009","90","","1271.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd3(SO4)2(C6H5N2O2)2(H2O)4","Cd3(SO4)2(C6H5N2O2)2(H2O)4","","- C12 H26 Cd3 N4 O20 S2 -","- C12 H26 Cd3 N4 O20 S2 -","- C24 H52 Cd6 N8 O40 S4 -","2","0.5","","Zhou, Wei-Wei; Zhao, Wang; Wang, Feng-Wu; Fang, Wen-Yan; Liu, Dao-Fu; Wei, Yi-Jun; Xu, Mai; Zhao, Xing; Liang, Xian","A 3-D Metal-Organic Framework with Rutile Topology Network, Right- or Left- Handed Helical Chains and Tunable UV-to-visible Photoluminescence","RSC Adv.","2015","","","","","10.1039/C5RA06940H","","","0.71075","MoKα","","0.0383","0.0376","","","0.0975","0.0984","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220106","12.4915","0.0002","13.3518","0.0002","9.9705","0.0001","90","","90","","90","","1662.92","0.04","106","8","106","8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H52 N5 O10 P3 -","- C26 H52 N5 O10 P3 -","- C52 H104 N10 O20 P6 -","2","0.5","","Gutowska, Natalia; Seliger, Piotr; Andrijewski, Grzegorz; Siwy, Mariola; Małecka, Magdalena; Kusz, Joachim","Single and double crown macrocyclic derivatives of cyclotriphosphazene as receptors of silver(i) ions","RSC Adv.","2015","5","48","38435","","10.1039/C5RA02469B","","","0.71073","MoKα","","0.0317","0.0273","","","0.0721","0.0758","","","","","","1.112","","","","has coordinates","135722","2020-10-21","18:00:00",""
"7220107","10.7284","0.0017","10.8211","0.0017","16.282","0.002","76.004","0.002","73.266","0.002","65.17","0.002","1626.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Fe2 N Se2 -","- C39 H38 Fe2 N Se2 -","- C78 H76 Fe4 N2 Se4 -","2","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0494","0.0397","","","0.1044","0.1081","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220108","18.6299","0.001","15.4647","0.0008","32.7558","0.0014","90","","120.177","0.002","90","","8158.2","0.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H76 Cl2 Cu4 Fe4 I4 N2 Se4 -","- C79 H76 Cl2 Cu4 Fe4 I4 N2 Se4 -","- C316 H304 Cl8 Cu16 Fe16 I16 N8 Se16 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0735","0.0455","","","0.0997","0.1048","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220109","27.419","0.008","6.081","0.0016","13.987","0.004","90","","107.285","0.003","90","","2226.8","1.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H24 Fe Se2 -","- C28 H24 Fe Se2 -","- C112 H96 Fe4 Se8 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0384","0.0339","","","0.0769","0.0788","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220110","8.5325","0.0012","14.3569","0.0019","15.512","0.002","85.587","0.002","79.112","0.002","89.858","0.002","1860.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H68 Cu2 Fe2 I2 O4 Se4 -","- C84 H68 Cu2 Fe2 I2 O4 Se4 -","- C84 H68 Cu2 Fe2 I2 O4 Se4 -","1","0.5","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0593","0.0399","","","0.0895","0.0958","","","","","","0.979","","","","has coordinates","135723","2020-10-21","18:00:00",""
"7220111","8.4445","0.0011","14.2012","0.0018","15.5454","0.0019","94.931","0.002","102.002","0.002","90.115","0.002","1816.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H68 Br2 Cu2 Fe2 O4 Se4 -","- C84 H68 Br2 Cu2 Fe2 O4 Se4 -","- C84 H68 Br2 Cu2 Fe2 O4 Se4 -","1","0.5","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.055","0.035","","","0.0828","0.0886","","","","","","0.979","","","","has coordinates","135723","2020-10-21","18:00:00",""
"7220112","5.8967","0.0006","12.0644","0.0013","42.577","0.005","90","","90","","90","","3028.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Fe2 Se2 -","- C38 H34 Fe2 Se2 -","- C152 H136 Fe8 Se8 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0486","0.0389","","","0.0842","0.0873","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220113","22.7372","0.0013","7.6135","0.0004","32.6719","0.0019","90","","90","","90","","5655.8","0.5","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C57.25 H48.5 Cl2.5 Cu2 Fe2 I2 Se4 -","- C57 H48 Cl2 Cu2 Fe2 I2 Se4 -","- C228 H192 Cl8 Cu8 Fe8 I8 Se16 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0758","0.0575","","","0.1383","0.1475","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220114","14.073","0.005","13.465","0.005","8.576","0.005","90","0.005","93.433","0.005","90","0.005","1622.2","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-amino-5-(2-oxo-2-phenylethyl)thiophene-2,4-dicarboxylate","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C64 H60 N4 O20 S4 -","4","1","","Pratap, Ramendra; Sahu, Satya Narayan; gupta, maneesh kumar; Singh, Surjeet; Yadav, Pratik; Panwar, Rahul; Kumar, Abhinav; Ram, Vishnu Ji; Kumar, Brijesh","One pot synthesis of tetrasubstituted thiophenes: [3+2] Annulation Strategy","RSC Adv.","2015","","","","","10.1039/C5RA01290B","","","0.71073","MoKα","","0.0628","0.0466","","","0.1099","0.1196","","","","","","1.043","","","","has coordinates","135724","2020-10-21","18:00:00",""
"7220115","7.48","0.009","15.997","0.018","12.467","0.018","90","","90","","90","","1492","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H20 Cl Cu N O4 -","- C13 H20 Cl Cu N O4 -","- C52 H80 Cl4 Cu4 N4 O16 -","4","1","","Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna","DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions","RSC Adv.","2015","","","","","10.1039/C5RA00623F","","","0.71073","MoKα","","0.1095","0.0676","","","0.1605","0.1968","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220116","10.256","0.001","11.9039","0.0012","15.3331","0.0016","90.224","0.001","97.435","0.001","104.27","0.002","1797.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 N2 Ni2 O12 -","- C32 H50 N2 Ni2 O12 -","- C64 H100 N4 Ni4 O24 -","2","1","","Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna","DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions","RSC Adv.","2015","","","","","10.1039/C5RA00623F","","","0.71073","MoKα","","0.0821","0.0447","","","0.106","0.1313","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220117","23.45","0.0017","23.45","0.0017","23.45","0.0017","90","","90","","90","","12895.2","1.6","298","2","298","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C39 H72 N3 Ni4 O25 -","- C39 H75 N3 Ni4 O25 -","- C312 H600 N24 Ni32 O200 -","8","0.333333","","Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna","DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions","RSC Adv.","2015","","","","","10.1039/C5RA00623F","","","0.71073","MoKα","","0.1636","0.0778","","","0.1873","0.2037","","","","","","1.036","","","","has coordinates","135725","2020-10-21","18:00:00",""
"7220118","13.642","0.0012","13.8856","0.0014","21.048","0.002","89.928","0.002","81.748","0.001","62.561","0.001","3492.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H88 Cl2 Cu4 N4 O28 -","- C58 H88 Cl2 Cu4 N4 O28 -","- C116 H176 Cl4 Cu8 N8 O56 -","2","1","","Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna","DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions","RSC Adv.","2015","","","","","10.1039/C5RA00623F","","","0.71073","MoKα","","0.1126","0.0681","","","0.1659","0.1868","","","","","","1.019","","","","has coordinates,has disorder","135725","2020-10-21","18:00:00",""
"7220119","7.6022","0.0017","8.3944","0.0018","11.562","0.002","106.836","0.018","102.222","0.017","102.304","0.019","659.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.0714","0.0473","","","0.1177","0.1357","","","","","","1.029","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220120","7.3225","0.0014","7.4824","0.0014","11.5556","0.0016","100.83","0.013","104.334","0.014","96.663","0.015","593.64","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.0791","0.0504","","","0.1089","0.1327","","","","","","1.031","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220121","10.3118","0.001","7.4555","0.0008","25.318","0.003","90","","90","","90","","1946.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.1376","0.0844","","","0.2121","0.2648","","","","","","0.952","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220122","3.989","0.0005","14.0371","0.0012","9.543","0.0012","90","","100.572","0.012","90","","525.28","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.104","0.0494","","","0.0539","0.0739","","","","","","0.878","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220123","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H18 Ni O11 -","- C22 H18 Ni O11 -","- C88 H72 Ni4 O44 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.029","0.024","","","0.0488","0.0506","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220124","12.2234","0.0004","10.2921","0.0004","28.1648","0.001","90","","98.6459","0.0011","90","","3503","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H56 N12 Ni3 O18 -","- C80 H56 N12 Ni3 O18 -","- C160 H112 N24 Ni6 O36 -","2","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.0365","0.0305","","","0.0817","0.0863","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220125","42.025","0.0014","11.1915","0.0004","23.6784","0.0008","90","","120.57","0.0009","90","","9588.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 N8 Ni2 O11 -","- C46 H32 N8 Ni2 O11.01 -","- C368 H256 N64 Ni16 O88.08 -","8","1","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.0602","0.0445","","","0.1166","0.1274","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220126","19.476","0.0007","10.5905","0.0004","29.7263","0.0011","90","","90","","90","","6131.4","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H48 Cu2 N8 O18 -","- C68 H48 Cu2 N8 O18 -","- C272 H192 Cu8 N32 O72 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.0886","0.0556","","","0.1355","0.156","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220127","17.8722","0.001","10.9304","0.0006","19.1523","0.0011","90","","115.51","0.0016","90","","3376.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cu3 N8 O18 -","- C72 H54 Cu3 N8 O18 -","- C144 H108 Cu6 N16 O36 -","2","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.1161","0.0502","","","0.092","0.1078","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220128","18.962","0.01","22.56","0.012","26.86","0.014","105.08","0.007","102.6","0.007","98.885","0.008","10552","10","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C382 H222 Cl12 Cu30 N180 O48 -","- C380 H225.07 Cl12 Cu30 N180 O48 -","- C380 H225.07 Cl12 Cu30 N180 O48 -","1","0.5","","Qin, Xiao ting; zhang, guonan; gao, yanfei; liu, hou-ting; Du, Chunfang; Liu, Zhiliang","Metallo-supramolecular grid-type architectures for highly and selectively efficient adsorption of dyes in water","RSC Adv.","2015","","","","","10.1039/C5RA02183A","","","0.71073","MoKα","","0.1828","0.0939","","","0.2708","0.3489","","","","","","1.112","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220129","25.089","0.002","19.3049","0.0014","30.127","0.003","90","","113.501","0.011","90","","13381","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H49 Cu5.5 I2 N27 O5 -","- C60 H49 Cu5.5 I2 N27 O5 -","- C480 H392 Cu44 I16 N216 O40 -","8","1","","Qin, Xiao ting; zhang, guonan; gao, yanfei; liu, hou-ting; Du, Chunfang; Liu, Zhiliang","Metallo-supramolecular grid-type architectures for highly and selectively efficient adsorption of dyes in water","RSC Adv.","2015","","","","","10.1039/C5RA02183A","","","0.71073","MoKα","","0.167","0.112","","","0.2648","0.3101","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220130","6.1124","0.0012","6.6178","0.0013","9.6089","0.0019","78.7","0.03","82.88","0.03","75.59","0.03","368","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 N10 O8 Zn -","- C6 H12 N10 O8 Zn -","- C6 H12 N10 O8 Zn -","1","0.5","","Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen","Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA03848K","","","0.71073","MoKα","","0.047","0.043","","","0.1506","0.153","","","","","","1.244","","","","has coordinates","135729","2020-10-21","18:00:00",""
"7220131","22.524","0.004","8.637","0.0017","9.758","0.002","90","","113.25","0.03","90","","1744.2","0.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 N40 O16 S0 Zn4 -","- C64 H48 N40 O16 Zn4 -","- C64 H48 N40 O16 Zn4 -","1","0.125","","Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen","Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA03848K","","","0.71073","MoKα","","0.091","0.061","","","0.1059","0.1157","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220132","9.1851","0.0018","9.2931","0.0019","11.06","0.002","107.5","0.03","95.43","0.03","118.39","0.03","759.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N9 O9 Zn -","- C6 H14 N9 O9 Zn -","- C12 H28 N18 O18 Zn2 -","2","1","","Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen","Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA03848K","","","0.71073","MoKα","","0.1585","0.0758","","","0.1642","0.2011","","","","","","0.996","","","","has coordinates","135729","2020-10-21","18:00:00",""
"7220133","8.5225","0.0017","13.641","0.003","14.685","0.003","65.49","0.03","77.19","0.03","79.62","0.03","1507.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H68 N24 O32 Zn3 -","- C36 H68 N24 O32 Zn3 -","- C36 H68 N24 O32 Zn3 -","1","0.5","","Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen","Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA03848K","","","0.71073","MoKα","","0.1287","0.0916","","","0.2186","0.2378","","","","","","1.102","","","","has coordinates","135729","2020-10-21","18:00:00",""
"7220134","34.3062","0.0008","6.9284","0.0002","17.0628","0.0004","90","","104.265","0.001","90","","3930.56","0.17","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H30 Cu2 N14 O14 -","- C38 H30 Cu2 N14 O14 -","- C152 H120 Cu8 N56 O56 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","1.54178","CuKα","","0.0358","0.0356","","","0.0953","0.0956","","","","","","1.042","","","","has coordinates,has disorder","135730","2020-10-21","18:00:00",""
"7220135","15.8793","0.0019","16.956","0.002","7.1252","0.0009","90","","90","","90","","1918.5","0.4","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 N7 O6 Zn -","- C19 H13 N7 O6 Zn -","- C76 H52 N28 O24 Zn4 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","0.71073","MoKα","","0.0186","0.0182","","","0.0502","0.0504","","","","","","1.06","","","","has coordinates","135730","2020-10-21","18:00:00",""
"7220136","6.9036","0.0002","14.6668","0.0003","19.4642","0.0004","90","","90","","90","","1970.82","0.08","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I2 N5 Zn -","- C19 H13 I2 N5 Zn -","- C76 H52 I8 N20 Zn4 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","1.54178","CuKα","","0.0328","0.0328","","","0.0858","0.0858","","","","","","1.202","","","","has coordinates,has disorder","135730","2020-10-21","18:00:00",""
"7220137","8.9547","0.001","10.2686","0.0011","12.4191","0.0013","86.077","0.004","86.323","0.004","78.479","0.004","1114.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Co N7 O S2 -","- C21 H13 Co N7 S2 -","- C42 H26 Co2 N14 S4 -","2","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","0.71073","MoKα","","0.0496","0.0384","","","0.0975","0.1027","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220138","10.0795","0.0011","11.8223","0.0014","20.571","0.002","88.41","0.004","79.325","0.003","66.086","0.003","2199","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H29 Cl Co Fe N14 O S4 -","- C42.5 H29 Cl Co Fe N14 O S4 -","- C85 H58 Cl2 Co2 Fe2 N28 O2 S8 -","2","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","0.71073","MoKα","","0.0667","0.0452","","","0.1055","0.1173","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220139","8.0764","0.0004","10.3447","0.0005","12.0794","0.0006","69.08","0.003","86.145","0.003","88.856","0.003","940.54","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl6 Cu3 N10 -","- C38 H26 Cl6 Cu3 N10 -","- C38 H26 Cl6 Cu3 N10 -","1","0.5","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","1.54178","CuKα","","0.0972","0.0512","","","0.1027","0.1211","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220140","9.042","0.003","9.042","0.003","27.231","0.019","90","","90","","90","","2226.3","1.9","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H18 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0211","0.0206","","","0.0585","0.0588","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220141","9.812","0.0003","14.283","0.0005","19.572","0.0006","90","","96.941","0.001","90","","2722.81","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cd N6 O8 -","- C23 H16 Cd N6 O8 -","- C92 H64 Cd4 N24 O32 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0493","0.043","","","0.1605","0.1687","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220142","11.564","0.0016","22.347","0.003","10.179","0.0014","90","","103.343","0.002","90","","2559.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd N6 O7 -","- C24 H18 Cd N6 O7 -","- C96 H72 Cd4 N24 O28 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0392","0.0319","","","0.0808","0.0842","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220143","13.829","0.0005","20.254","0.0008","25.765","0.001","90","","90","","90","","7216.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H40 Cd N6 O15 -","- C24 H18 Cd N6 O4 -","- C192 H144 Cd8 N48 O32 -","8","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0633","0.0413","","","0.1126","0.1195","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220144","6.0159","0.0011","9.3867","0.0017","9.5866","0.0017","106.872","0.016","107.869","0.016","103.345","0.015","461.65","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C20 H20 N P Se -","1","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0547","0.0544","","","0.1402","0.1417","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220145","6.0127","0.0012","9.368","0.003","9.581","0.003","106.91","0.03","107.98","0.02","103.26","0.02","459.9","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C20 H20 N P Se -","1","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0552","0.0542","","","0.161","0.1657","","","","","","1.015","","","","has coordinates","135732","2020-10-21","18:00:00",""
"7220146","13.0607","0.0005","14.5382","0.0005","13.6308","0.0006","90","","118.032","0.005","90","","2284.57","0.19","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ca N2 O2 P2 Se2 -","- C48 H54 Ca N2 O2 P2 Se2 -","- C96 H108 Ca2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0359","0.0342","","","0.0874","0.0895","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220147","13.0797","0.001","14.5246","0.0008","13.6284","0.0014","90","","117.984","0.011","90","","2286.4","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ca N2 O2 P2 Se2 -","- C48 H54 Ca N2 O2 P2 Se2 -","- C96 H108 Ca2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0455","0.0424","","","0.1104","0.1146","","","","","","1.047","","","","has coordinates","135732","2020-10-21","18:00:00",""
"7220148","12.5","0.0007","14.6217","0.0004","13.9074","0.0008","90","","115.038","0.007","90","","2303","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 N2 O2 P2 Se2 Sr -","- C48 H54 N2 O2 P2 Se2 Sr -","- C96 H108 N4 O4 P4 Se4 Sr2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.065","0.0602","","","0.1622","0.1697","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220149","12.4934","0.0006","14.6187","0.0007","13.9134","0.0006","90","","115.041","0.005","90","","2302.3","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H53 N2 O2 P2 Se2 Sr -","- C48 H53 N2 O2 P2 Se2 Sr -","- C96 H106 N4 O4 P4 Se4 Sr2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0464","0.0402","","","0.0979","0.1032","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220150","12.5451","0.0002","14.6496","0.0003","14.0905","0.0002","90","","115.323","0.002","90","","2340.73","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ba N2 O2 P2 Se2 -","- C48 H54 Ba N2 O2 P2 Se2 -","- C96 H108 Ba2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0394","0.0391","","","0.1042","0.1047","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220151","12.5571","0.0003","14.6478","0.0003","14.0913","0.0004","90","","115.305","0.003","90","","2343.17","0.12","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ba N2 O2 P2 Se2 -","- C48 H54 Ba N2 O2 P2 Se2 -","- C96 H108 Ba2 N4 O4 P4 Se4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0543","0.0538","","","0.1402","0.1412","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220152","11.3581","0.001","6.1729","0.0005","13.3347","0.0012","90","","90.752","0.008","90","","934.85","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 B N P -","- C20 H23 B N P -","- C40 H46 B2 N2 P2 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0573","0.0478","","","0.1179","0.1285","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220153","8.8785","0.0002","18.0839","0.0004","23.6013","0.0006","90","","90","","90","","3789.38","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 B N P -","- C20 H23 B N P -","- C160 H184 B8 N8 P8 -","8","2","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0482","0.0418","","","0.1102","0.1183","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220154","13.1696","0.0009","14.8039","0.0004","13.7579","0.0009","90","","117.394","0.009","90","","2381.5","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H60 B2 Ba N2 O2 P2 -","- C48 H60 B2 Ba N2 O2 P2 -","- C96 H120 B4 Ba2 N4 O4 P4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0387","0.0357","","","0.0905","0.0935","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220155","13.1465","0.0005","14.7929","0.0003","13.7413","0.0007","90","","117.316","0.005","90","","2374.34","0.19","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H60 B2 Ba N2 O2 P2 -","- C48 H60 B2 Ba N2 O2 P2 -","- C96 H120 B4 Ba2 N4 O4 P4 -","2","1","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0338","0.0333","","","0.0843","0.085","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220156","12.4623","0.0006","20.862","0.0011","11.6002","0.0006","90","","99.518","0.002","90","","2974.4","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NO2PhO-AlPc","(nitro phenoxy)(phthalocyaninato)aluminum","","- C38 H20 Al N9 O3 -","- C38 H20 Al N9 O3 -","- C152 H80 Al4 N36 O12 -","4","1","","Raboui, Hasan; AL-Amr, Mohammad; Abdelrahman, Ahmed; Bender, Timothy Paul","Axially Phenoxylated Aluminum Phthalocyanines and Their Application in Organic Photovoltaic Cells.","RSC Adv.","2015","","","","","10.1039/C5RA04919A","","","0.71073","MoKα","","0.1093","0.0507","","","0.0972","0.1175","","","","","","1.002","","","","has coordinates","135733","2020-10-21","18:00:00",""
"7220157","10.3131","0.0006","14.4067","0.0007","24.7771","0.0011","90","","99.572","0.004","90","","3630.1","0.3","147","2","147","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","F5PhO-AlPc","(pentafluoro phenoxy)(phthalocyaninato)aluminum","","- C45 H28 Al F5 N8 O -","- C45 H28 Al F5 N8 O -","- C180 H112 Al4 F20 N32 O4 -","4","1","","Raboui, Hasan; AL-Amr, Mohammad; Abdelrahman, Ahmed; Bender, Timothy Paul","Axially Phenoxylated Aluminum Phthalocyanines and Their Application in Organic Photovoltaic Cells.","RSC Adv.","2015","","","","","10.1039/C5RA04919A","","","1.54178","CuKα","","0.1402","0.0878","","","0.2248","0.266","","","","","","1.038","","","","has coordinates,has disorder","135733","2020-10-21","18:00:00",""
"7220158","16.0198","0.0004","8.2129","0.0002","11.1102","0.0003","90","","97.047","0.001","90","","1450.72","0.06","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Hens, Amar; Rajak, Kajal Krishna","Selective fluorometric detection of F− and Zn(II) ions by N, O coordinating sensor and naked eye detection of Cu(II) ion in mixed-aqueous solution","RSC Adv.","2015","","","","","10.1039/C5RA05145B","","","0.71073","MoKα","","0.0728","0.0547","","","0.1494","0.1664","","","","","","1.027","","","","has coordinates","135734","2020-10-21","18:00:00",""
"7220159","27.292","0.005","10.0001","0.0019","15.408","0.003","90","","116.511","0.01","90","","3763","1.3","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cl F N O2 -","- C23 H15 Cl F N O2 -","- C184 H120 Cl8 F8 N8 O16 -","8","1","","Iyer, Pravin S.; Nawaz Khan, Fazlur-Rahman; Kannan, Murugan; Chinnapattu, Murugan","Synthesis of Novel Benzoxaborinin-4-ones and its Application in Indolin-2-ones Synthesis Using Suzuki-Miyaura Reaction Protocol","RSC Adv.","2015","","","","","10.1039/C5RA05755H","","","0.71073","MoKα","","0.1134","0.0457","","","0.1183","0.1427","","","","","","1.001","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7220160","11.5529","0.0006","14.295","0.0007","14.7162","0.0007","80.182","0.004","71.327","0.005","69.012","0.005","2145.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 F4 Mo8 N12 O40 -","- C60 H76 F4 Mo8 N12 O40 -","- C60 H76 F4 Mo8 N12 O40 -","1","0.5","","Liu, Hong; Chai, Dong-Feng; Zou, Yu-Long; Zhou, Shu-Jing; Wang, Wei; Shen, De-Feng; Qu, Yan-Yan; Gao, Guang-Gang","Norfloxacin-derivative Functionalized Octamolybdate: Unusual Carbonyl Coordination and Acidity Sensitive Luminescence","RSC Adv.","2015","","","","","10.1039/C5RA04108B","","","0.71073","MoKα","","0.0742","0.0492","","","0.1268","0.1406","","","","","","1.01","","","","has coordinates","135736","2020-10-21","18:00:00",""
"7220161","9.3092","0.0006","17.6398","0.0016","9.934","0.0008","90","","106.889","0.004","90","","1560.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-4-Methyl-3-oxo-1-phenylpenta-1,4-dien-2-yl pivalate","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Hoffmann, Marie; Miaskiewicz, Solène; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurelien","Assigning Regioisomeric or Diastereoisomeric Relations of Problematic Trisubstituted Double-Bonds through Heteronuclear 2D Selective J-Resolved NMR Spectroscopy","RSC Adv.","2015","","","","","10.1039/C5RA03228H","","","0.71073","MoKα","","0.1594","0.0846","","","0.1697","0.1971","","","","","","1.127","","","","has coordinates","135737","2020-10-21","18:00:00",""
"7220162","20.4342","0.0009","7.8263","0.0003","13.0107","0.0007","90","","90","","90","","2080.73","0.17","293","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H10 Cl3 Eu N6 O6 -","- C10 H10 Cl3 Eu N6 O6 -","- C40 H40 Cl12 Eu4 N24 O24 -","4","1","","Machado, Kelly; Mukhopadhyay, Suman; Videira, Romeu A.; Mishra, Jaya; Mobin, Shaikh M.; Mishra, Gopal S.","Polymer encapsulated scorpionate Eu3+complexes as novel hybrid materials for high performance luminescence applications","RSC Adv.","2015","5","45","35675","","10.1039/C5RA02866C","","","0.71073","MoKα","","0.0515","0.0425","","","0.1033","0.1132","","","","","","1.089","","","","has coordinates","135738","2020-10-21","18:00:00",""
"7220163","28.9058","0.0004","28.9058","0.0004","28.9058","0.0004","90","","90","","90","","24152.1","0.6","296","2","296","2","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C84 H158 Cu3 N24 O170 P4 W36 -","- C84 H84 Cu3 N24 O142 P4 W36 -","- C336 H336 Cu12 N96 O568 P16 W144 -","4","0.0833333","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Xu, Chuang; Luan, Jian; Liu, Guocheng; Tian, Aixiang","A novel polyoxometalate templated microporous metal‒organic framework with electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA06204G","","","0.71073","MoKα","","0.0235","0.0229","","","0.0591","0.0594","","","","","","1.029","","","","has coordinates,has disorder","135739","2020-10-21","18:00:00",""
"7220164","6.27","0.004","7.007","0.003","15.402","0.005","97.886","0.005","95.917","0.005","114.306","0.005","601.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N2 O10 -","- C26 H28 Co N2 O10 -","- C26 H28 Co N2 O10 -","1","0.5","","Tabassum, Sartaj; Singh, Ruchi; Zaki, Mehvash; Ahmad, Musheer; Afzal, Mohd.","Synthesis and crystal structure determination of a mononuclear cobalt(ii) complex derived from 4-(pyridin-4-ylmethoxy)-benzoic acid: evaluation of the DNA/protein interaction and photo-induced pBR322 DNA cleavage","RSC Adv.","2015","5","45","35843","","10.1039/C5RA01611H","","","0.71073","MoKα","","0.0516","0.0437","","","0.1123","0.1423","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220165","28.8","0.006","10.33","0.002","9.2214","0.0018","90","","90","","90","","2743.4","0.9","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C16 H32 Cl Cu3 I4 N4 O4 -","- C16 H32 Cl Cu3 I4 N4 O4 -","- C64 H128 Cl4 Cu12 I16 N16 O16 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0332","0.0315","","","0.0874","0.0883","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220166","28.536","0.006","10.276","0.002","9.2102","0.0018","90","","90","","90","","2700.8","0.9","120","2","120","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C16 H32 Cl Cu3 I4 N4 O4 -","- C16 H32 Cl Cu3 I4 N4 O4 -","- C64 H128 Cl4 Cu12 I16 N16 O16 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0287","0.0282","","","0.0729","0.0731","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220167","14.357","0.003","13.713","0.003","20.207","0.004","90","","90","","90","","3978.3","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H38 Br2 Cu6 I6 N6 -","- C20 H38 Br2 Cu6 I6 N6 -","- C80 H152 Br8 Cu24 I24 N24 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0951","0.0841","","","0.1672","0.1711","","","","","","1.226","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220168","14.027","0.003","13.637","0.003","20.343","0.004","90","","90","","90","","3891.3","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H38 Br2 Cu6 I6 N6 -","- C20 H38 Br2 Cu6 I6 N6 -","- C80 H152 Br8 Cu24 I24 N24 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0732","0.0692","","","0.1499","0.1513","","","","","","1.294","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220169","4.7774","0.0003","10.8468","0.0006","15.7986","0.0011","52.351","0.005","99.385","0.005","99.707","0.003","637.02","0.08","298","2","298","","","","100","","","","","4","P -1","-P 1","2","LASSBio-1601","(E)-N'-benzylidenecyclohexanecarbohydrazide","NAH1601","- C14 H18 N2 O -","- C14 H18 N2 O -","- C28 H36 N4 O2 -","2","1","","Costa, Fanny Nascimento; da Silva, Tiago Fernandes; Miguez, Eduardo; Barroso, Regina Cely; Braz, Delson; Barreiro, Eliezer J.; Lima, Lídia Moreira; Punzo, Francesco; Ferreira, Fabio Furlan","Structural features evolution ‒ from fluids to solid phase ‒ and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative","RSC Adv.","2015","","","","","10.1039/C5RA02696B","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00666","0.832","","","","","","","has coordinates","135742","2020-10-21","18:00:00",""
"7220170","16.473","0.0006","21.0698","0.0006","22.2668","0.0007","101.201","0.003","99.999","0.003","108.199","0.003","6970.6","0.4","170.1","","170.1","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H76 F12 N5 O14 P2 -","- C67 H76 F12 N5 O14 P2 -","- C268 H304 F48 N20 O56 P8 -","4","2","","Wang, Haoze; Wei, Peifa; Yan, Xuzhou","[n]Pseudorotaxanes constructed by a bis(p-phenylene)-34-crown-10-based cryptand: different binding behaviors induced by minor structural changes of guests","RSC Adv.","2015","","","","","10.1039/C5RA06927K","","","0.71073","MoKα","","0.139","0.0883","","","0.2476","0.2979","","","","","","1.038","","","","has coordinates","135743","2020-10-21","18:00:00",""
"7220171","10.9381","0.0005","11.7474","0.0007","19.8477","0.0009","101.306","0.004","99.715","0.004","94.513","0.004","2448.4","0.2","170.1","","170.1","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H59 F6 N3 O15 P -","- C46 H59 F6 N3 O15 P -","- C92 H118 F12 N6 O30 P2 -","2","1","","Wang, Haoze; Wei, Peifa; Yan, Xuzhou","[n]Pseudorotaxanes constructed by a bis(p-phenylene)-34-crown-10-based cryptand: different binding behaviors induced by minor structural changes of guests","RSC Adv.","2015","","","","","10.1039/C5RA06927K","","","0.71073","MoKα","","0.1174","0.0726","","","0.1816","0.2234","","","","","","1.146","","","","has coordinates,has disorder","135743","2020-10-21","18:00:00",""
"7220172","54.999","0.002","11.2922","0.0004","19.9536","0.0009","90","","98.733","0.004","90","","12248.7","0.8","170.1","","170.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H64 F12 N4 O14 P2 -","- C53 H64 F12 N4 O14 P2 -","- C424 H512 F96 N32 O112 P16 -","8","1","","Wang, Haoze; Wei, Peifa; Yan, Xuzhou","[n]Pseudorotaxanes constructed by a bis(p-phenylene)-34-crown-10-based cryptand: different binding behaviors induced by minor structural changes of guests","RSC Adv.","2015","","","","","10.1039/C5RA06927K","","","0.71073","MoKα","","0.1116","0.0884","","","0.2631","0.2919","","","","","","1.047","","","","has coordinates,has disorder","135743","2020-10-21","18:00:00",""
"7220173","8.6042","0.0019","12.291","0.003","16.26","0.004","110.945","0.004","91.262","0.002","94.507","0.003","1598.7","0.7","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","OXDPPO","((1,3,4-oxadiazole-2,5-diyl)bis(4,1-phenylene))bis(diphenylphosphine oxide)","","- C38 H29 N2 O3.5 P2 -","- C38 H29 N2 O3.5 P2 -","- C76 H58 N4 O7 P4 -","2","1","","Liu, Ronghua; Xu, Xinjun; Peng, Jinghong; Yao, Chuang; Wang, Jinshan; Li, Lidong","Solution-Processed Oxadiazole-Based Electron-Transporting Layer for White Organic Light-Emitting Diodes","RSC Adv.","2015","","","","","10.1039/C5RA04599A","","","0.71073","MoKα","","0.0487","0.0442","","","0.1034","0.1065","","","","","","1.085","","","","has coordinates","135744","2020-10-21","18:00:00",""
"7220174","11.3697","0.0002","28.8078","0.0005","15.2132","0.0003","90","","98.413","0.001","90","","4929.25","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl2 N2 O -","- C30 H22 Cl2 N2 O -","- C240 H176 Cl16 N16 O8 -","8","2","","Roopan, Selvaraj Mohana; Bharathi, Annadurai; Palaniraja, Jeyakannu; Anand, K.; Robert, Gengan","Unexpected regiospecific Michael addition Product: Synthesis of 5,6-dihydrobenzo[1,7] phenanthroline","RSC Adv.","2015","","","","","10.1039/C4RA16640J","","","0.71073","MoKα","","0.0599","0.0379","","","0.0888","0.1025","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220175","7.2087","0.0004","11.551","0.0009","14.161","0.0008","68.222","0.005","76.825","0.005","73.919","0.007","1041.75","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis((perfluoro-tert.butoxy)methyl)-5-iodobenzene","","- C16 H7 F18 I O2 -","- C16 H7 F18 I O2 -","- C32 H14 F36 I2 O4 -","2","1","","Kölmel, Dominik Klaus; Nieger, Martin; Braese, Stefan","Highly Efficient Synthesis of Polyfluorinated Dendrons Suitable for Click Chemistry","RSC Adv.","2015","","","","","10.1039/C5RA02804C","","","0.71073","MoKα","","0.0273","0.0247","","","0.0612","0.0623","","","","","","1.057","","","","has coordinates","135746","2020-10-21","18:00:00",""
"7220176","7.0303","0.0004","11.8119","0.001","14.0402","0.0019","68.704","0.008","79.86","0.006","74.572","0.005","1043.05","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1-Ethynyl-3,5-bis((perfluorotert.butoxy)methyl)benzene","","- C18 H8 F18 O2 -","- C18 H8 F18 O2 -","- C36 H16 F36 O4 -","2","1","","Kölmel, Dominik Klaus; Nieger, Martin; Braese, Stefan","Highly Efficient Synthesis of Polyfluorinated Dendrons Suitable for Click Chemistry","RSC Adv.","2015","","","","","10.1039/C5RA02804C","","","0.71073","MoKα","","0.0968","0.0677","","","0.1727","0.1863","","","","","","1.149","","","","has coordinates","135746","2020-10-21","18:00:00",""
"7220177","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolones A","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","Zhang, Peng; Meng, Ling-Hong; Mándi, Attila; Li, Xiao-Ming; Kurtán, Tibor; Wang, Bin-Gui","Structure, absolute configuration, and conformational study of resorcylic acid derivatives and related congeners from the fungus Penicillium brocae","RSC Advances","2015","5","50","39870","39877","10.1039/c5ra02203g","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","218749","2020-10-21","18:00:00",""
"7220178","8.1418","0.0016","12.894","0.003","10.541","0.002","90","","105.75","0.03","90","","1065.1","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 Cl N4 O -","- C26 H23 Cl N4 O -","- C52 H46 Cl2 N8 O2 -","2","1","","Wang, Huanxia; Wu, Lulu; Wang, Youming; ZHOU, Zhenghong","Organocatalyzed asymmetric tandem Michael-cyclization reaction of 4-benzylidene-3-methylpyrazol-5-ones and malononitrile: Stereocontrolled construction of pyrano[2,3-c]pyrazole scaffold","RSC Adv.","2015","","","","","10.1039/C5RA04356E","","","0.71073","MoKα","","0.0414","0.0312","","","0.0797","0.0828","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220179","6.8843","0.0006","11.6056","0.0007","17.7118","0.001","90","","94.244","0.006","90","","1411.23","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Au2 N2 O2 P2 S2 -","- C22 H40 Au2 N2 O2 P2 S2 -","- C44 H80 Au4 N4 O4 P4 S4 -","2","0.5","","Yeo, Chien Ing; Khoo, C.-H.; Chu, C.-W.; Chen, B.-J.; Chu, P.L.; Sim, J.-H.; Cheah, Y.-K.; Ahmad, Jimmy; Halim, Nadiah; Seng, Hoi-Ling; Ng, Soon; Otero-de-la-Roza, Alberto; Tiekink, Edward R. T.","The importance of Au…pi(aryl) interactions in the formation of spherical aggregates in binuclear phosphanegold(I) complexes of a bipodal thiocarbamate dianion: A combined crystallographic and computational study, and anti-microbial activity","RSC Adv.","2015","","","","","10.1039/C5RA05604G","","","0.71073","","","0.0294","0.0253","","","0.06","0.0639","","","","","","1.082","","","","has coordinates","135749","2020-10-21","18:00:00",""
"7220180","8.998","0.0004","9.0501","0.0004","14.2542","0.0006","107.851","0.004","100.439","0.004","100.556","0.004","1050.66","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Au2 N2 O2 P2 S2 -","- C46 H40 Au2 N2 O2 P2 S2 -","- C46 H40 Au2 N2 O2 P2 S2 -","1","0.5","","Yeo, Chien Ing; Khoo, C.-H.; Chu, C.-W.; Chen, B.-J.; Chu, P.L.; Sim, J.-H.; Cheah, Y.-K.; Ahmad, Jimmy; Halim, Nadiah; Seng, Hoi-Ling; Ng, Soon; Otero-de-la-Roza, Alberto; Tiekink, Edward R. T.","The importance of Au…pi(aryl) interactions in the formation of spherical aggregates in binuclear phosphanegold(I) complexes of a bipodal thiocarbamate dianion: A combined crystallographic and computational study, and anti-microbial activity","RSC Adv.","2015","","","","","10.1039/C5RA05604G","","","0.71073","","","0.0273","0.024","","","0.042","0.044","","","","","","0.97","","","","has coordinates","135749","2020-10-21","18:00:00",""
"7220181","9.7522","0.0003","12.2227","0.0003","19.9917","0.0005","90","","93.683","0.003","90","","2378.05","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 Au2 N2 O2 P2 S2 -","- C46 H76 Au2 N2 O2 P2 S2 -","- C92 H152 Au4 N4 O4 P4 S4 -","2","0.5","","Yeo, Chien Ing; Khoo, C.-H.; Chu, C.-W.; Chen, B.-J.; Chu, P.L.; Sim, J.-H.; Cheah, Y.-K.; Ahmad, Jimmy; Halim, Nadiah; Seng, Hoi-Ling; Ng, Soon; Otero-de-la-Roza, Alberto; Tiekink, Edward R. T.","The importance of Au…pi(aryl) interactions in the formation of spherical aggregates in binuclear phosphanegold(I) complexes of a bipodal thiocarbamate dianion: A combined crystallographic and computational study, and anti-microbial activity","RSC Adv.","2015","","","","","10.1039/C5RA05604G","","","0.71073","","","0.0252","0.0205","","","0.0393","0.0414","","","","","","1.05","","","","has coordinates","135749","2020-10-21","18:00:00",""
"7220182","9.0223","0.0002","9.0135","0.0002","28.2468","0.0006","90","","92.201","0.001","90","","2295.41","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N2 O3 -","- C28 H23 F N2 O3 -","- C112 H92 F4 N8 O12 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.062","0.0468","","","0.1134","0.1219","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220183","8.0748","0.0006","19.8897","0.0015","14.2381","0.001","90","","92.183","0.005","90","","2285.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.055","0.0458","","","0.1253","0.1344","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220184","8.6019","0.0002","11.274","0.0003","12.5983","0.0003","92.118","0.001","105.254","0.001","101.513","0.001","1149.81","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 F N O2 -","- C29 H26 F N O2 -","- C58 H52 F2 N2 O4 -","2","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.0513","0.0396","","","0.1036","0.1125","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220185","8.5512","0.0005","11.025","0.0007","12.6098","0.0005","88.967","0.003","76.327","0.002","78.699","0.002","1132.23","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Cl F N O -","- C28 H23 Cl F N O -","- C56 H46 Cl2 F2 N2 O2 -","2","1","","Kalalbandi, Veerendra Kumar A.; Seetharamappa, J.; Katrahalli, Umesha","Synthesis, crystal studies and in vivo anti-hyperlipidemic activities of indole derivatives containing fluvastatin nucleus","RSC Adv.","2015","5","48","38748","","10.1039/C5RA02908B","","","0.71073","MoKα","","0.0698","0.0476","","","0.1248","0.1387","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220186","9.34","0.0003","22.1653","0.0008","8.7044","0.0003","90","","105.549","0.001","90","","1736.07","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Sanap, Kailas Khandu; Samant, Shriniwas","Regiospecific Inverse Electron Demand Diels-Alder reactions of 7-methylcoumarin-4-azadienes","RSC Adv.","2015","","","","","10.1039/C5RA06262D","","","0.71073","MoKα","","0.0541","0.0429","","","0.11","0.1217","","","","","","1.068","","","","has coordinates","135751","2020-10-21","18:00:00",""
"7220187","7.7529","0.0004","11.279","0.0007","11.7563","0.0011","117.232","0.003","98.475","0.003","101.301","0.002","862.6","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Sanap, Kailas Khandu; Samant, Shriniwas","Regiospecific Inverse Electron Demand Diels-Alder reactions of 7-methylcoumarin-4-azadienes","RSC Adv.","2015","","","","","10.1039/C5RA06262D","","","0.71073","MoKα","","0.079","0.0545","","","0.1483","0.1764","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220188","19.0353","0.0006","19.0353","0.0006","15.4705","0.0007","90","","90","","90","","5605.6","0.4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H48 Cl4 Cu4 N12 O32 -","- C36 H48 Cl4 Cu4 N12 O32 -","- C144 H192 Cl16 Cu16 N48 O128 -","4","0.25","","Chattopadhyay, Shouvik; Das, Mithun; shaw, Bikash kumar; saha, Shyamal Kumar; Ghosh, Biswa Nath; Rissanen, Kari","Unusual magnetic response in π-stacked 66-dia net structure of [4+2] copper(II) cubane","RSC Adv.","2015","","","","","10.1039/C5RA07548C","","","0.71073","MoKα","","0.0681","0.0502","","","0.1274","0.1446","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220189","8.4993","0.0005","17.7777","0.0011","23.0409","0.0015","90","","90","","90","","3481.4","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N3 S -","- C22 H15 N3 S -","- C176 H120 N24 S8 -","8","1","","Zhu, Longzhi; Cao, Xin; Qiu, Renhua; Iwasaki, Takanori; Reddy, Vutukuri Prakash; Xu, Xinhua; Yin, S.-F.; Kambe, Nobuaki","Copper-mediated thiolation of carbazole derivatives and related N-heterocycle compounds","RSC Adv.","2015","","","","","10.1039/C5RA04965B","","","0.71073","MoKα","","0.0574","0.0403","","","0.1268","0.1425","","","","","","1.097","","","","has coordinates","135753","2020-10-21","18:00:00",""
"7220190","9.7056","0.0003","4.7659","0.0001","26.0338","0.0008","90","","96.367","0.002","90","","1196.79","0.06","296","2","296","2","","","","","","","no","5","P 1 21/n 1","-P 2yn","14","azaborneol","Dimethyl 4-hydroxy-1,4-dihydrobenzo(b)[1,4]azaborinine-2,3-dicarboxylate","","- C12 H12 B N O5 -","- C12 H12 B N O5 -","- C48 H48 B4 N4 O20 -","4","1","","Chinnapattu, Murugan; Sathiyanarayanan, Kulathu Iyer; Iyer, Pravin S.","Synthesis of Benzofused 1,4-Azaborinols via [4+2] Annulation Strategy and its Application in Indole Synthesis","RSC Adv.","2015","","","","","10.1039/C5RA05082K","","","0.71073","MoKα","","0.038","0.0335","","","0.108","0.1114","","","","","","2.051","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220191","15.4331","0.0019","15.4331","0.0019","9.4388","0.0017","90","","90","","90","","2248.1","0.6","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C44 H52 Cu4 N4 O16 -","- C44 H52 Cu4 N4 O16 -","- C88 H104 Cu8 N8 O32 -","2","0.25","","Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu","Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA04868K","","","0.71073","MoKα","","0.0451","0.0331","","","0.0894","0.0972","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220192","26.429","0.005","8.4637","0.0017","22.736","0.005","90","","114.74","0.03","90","","4619","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Co4 N4 O16 -","- C44 H52 Co4 N4 O16 -","- C176 H208 Co16 N16 O64 -","4","0.5","","Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu","Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA04868K","","","0.71073","MoKα","","0.081","0.0606","","","0.1632","0.1775","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220193","26.369","0.005","8.4456","0.0013","22.718","0.004","90","","114.642","0.006","90","","4598.6","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 N4 O16 Zn4 -","- C44 H52 N4 O16 Zn4 -","- C176 H208 N16 O64 Zn16 -","4","0.5","","Gao, Qian; Qin, Yaru; Chen, Yanmei; Liu, Wei; Li, Hai-Yan; Wu, Bing; Li, Yahong; Li, Wu","Cubane-type {M4O4} (M = CoII, ZnII, CuII) clusters: synthesis, crystal structures, and luminescent and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA04868K","","","0.71073","MoKα","","0.0777","0.044","","","0.1052","0.1194","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220194","9.6734","0.0008","7.8964","0.0006","25.315","0.002","90","","90","","90","","1933.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C80 H64 N16 O24 -","8","1","","Wong, Fung Fuh; Huang, Jiann-Jyh; Lu, Shi-Han; Chung, Yu Hsuan","Vilsmeier‒Haack reagent-promoted formyloxylation of α-chloro-N-arylacetamides by formamide","RSC Adv.","2015","","","","","10.1039/C5RA05779E","","","0.71073","MoKα","","0.059","0.0489","","","0.122","0.1275","","","","","","1.097","","","","has coordinates","135756","2020-10-21","18:00:00",""
"7220195","18.7015","0.0008","5.7571","0.0003","19.9705","0.001","90","","114.31","0.002","90","","1959.5","0.17","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(2-hydroxy-benzophenone)copper(II)","","- C26 H18 Cu O4 -","- C26 H18 Cu O4 -","- C104 H72 Cu4 O16 -","4","0.5","","Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria","Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.","RSC Adv.","2015","","","","","10.1039/C4RA16484A","","x-ray","0.71073","MoKα","","0.0667","0.0467","","0.0909","0.0845","0.0845","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220196","23.349","0.004","4.8974","0.0007","18.972","0.003","90","","125.037","0.005","90","","1776.3","0.5","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(2-hydroxy-5-methyl-acetophenone)copper(II).dihydrate","","- C18 H22 Cu O6 -","- C18 H22 Cu O6 -","- C72 H88 Cu4 O24 -","4","0.5","","Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria","Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.","RSC Adv.","2015","","","","","10.1039/C4RA16484A","","x-ray","0.71073","MoKα","","0.0876","0.0445","","0.0915","0.0809","0.0809","","","","","","0.9975","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220197","5.2245","0.0003","7.5079","0.0005","11.9914","0.0007","93.397","0.003","94.312","0.003","102.049","0.003","457.34","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","bis(2-hydroxy-5-nitro-benzaldehydato)-bisdimethanol copper(II)","","- C16 H16 Cu N2 O10 -","- C16 H16 Cu N2 O10 -","- C16 H16 Cu N2 O10 -","1","0.5","","Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria","Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.","RSC Adv.","2015","","","","","10.1039/C4RA16484A","","x-ray","0.71073","MoKα","","0.0444","0.0328","","0.0804","0.0772","0.0772","","","","","","0.9998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220198","13.7347","0.001","3.8442","0.0003","12.4921","0.0009","90","","102.258","0.003","90","","644.53","0.08","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 Cu O4 -","- C14 H8 Cl2 Cu O4 -","- C28 H16 Cl4 Cu2 O8 -","2","0.5","","Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria","Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.","RSC Adv.","2015","","","","","10.1039/C4RA16484A","","x-ray","0.71073","MoKα","","0.0752","0.052","","0.1108","0.0965","0.0965","","","","","","0.9974","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220199","6.852","0.001","9.607","0.005","10.857","0.007","102.68","0.04","93.21","0.03","92.5","0.03","695","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C30 H22 N10 O4 -","2","1","","Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.","Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization","RSC Adv.","2015","5","44","35201","","10.1039/C5RA03703D","","x-ray","0.71073","MoKα","","0.2353","0.1313","","","0.3112","0.3824","","","","","","1.067","","","","has coordinates","135759","2020-10-21","18:00:00",""
"7220200","43.065","0.003","5.4072","0.0011","17.347","0.008","90","","91.73","0.02","90","","4038","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 F3 N4 O -","- C23 H14 F3 N4 O -","- C184 H112 F24 N32 O8 -","8","1","","Tber, Z.; Hiebel, M.-A.; Allouchi, H.; El Hakmaoui, A.; Akssira, M.; Guillaumet, G.; Berteina-Raboin, S.","Metal free direct formation of various substituted pyrido[2′,1′:2,3]imidazo[4,5-c]isoquinolin-5-amines and their further functionalization","RSC Adv.","2015","5","44","35201","","10.1039/C5RA03703D","","x-ray","0.71073","MoKα","","0.3147","0.1407","","","0.3764","0.4492","","","","","","1.221","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220201","3.6886","0.0003","3.6886","0.0003","8.9149","0.0014","90","","90","","90","","121.29","0.02","180","2","180","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Fe1.15 H Li0.85 O S -","- Fe1.146 H Li0.854 O S -","- Fe2.292 H2 Li1.708 O2 S2 -","2","0.125","","Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang","Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]","RSC Adv.","2015","5","48","38248","","10.1039/C5RA04037J","","","0.71073","MoKα","","0.0306","0.0303","","","0.0813","0.0815","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220202","7.6654","0.0005","9.6969","0.0006","15.2346","0.001","90","","90","","90","","1132.4","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N6 O2 -","- C10 H10 N6 O2 -","- C40 H40 N24 O8 -","4","0.5","","Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill","A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route","RSC Adv.","2015","","","","","10.1039/C5RA05726D","","","0.71073","MoKα","","0.0476","0.0426","","","0.1088","0.1125","","","","","","1.155","","","","has coordinates","135761","2020-10-21","18:00:00",""
"7220203","8.105","0.0009","8.5614","0.0009","11.3382","0.0012","90","","90","","90","","786.76","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 N10 O2 -","- C4 N10 O2 -","- C16 N40 O8 -","4","1","","Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill","A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route","RSC Adv.","2015","","","","","10.1039/C5RA05726D","","","0.71073","MoKα","","0.0623","0.0359","","","0.0683","0.0778","","","","","","1.028","","","","has coordinates","135761","2020-10-21","18:00:00",""
"7220204","18.697","0.003","10.549","0.0018","18.017","0.003","90","","110.149","0.003","90","","3336.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Cd N6 O6 -","- C40 H32 Cd N6 O6 -","- C160 H128 Cd4 N24 O24 -","4","0.5","","Liu, Yang; Wang, Dan; Zheng, Xiangjun; Jin, Lin-Pei","Binding sites-driving sensing properties of a quinazoline derivative with metal cations","RSC Adv.","2015","","","","","10.1039/C5RA04841A","","","0.71073","MoKα","","0.0512","0.0448","","","0.1234","0.1272","","","","","","1.074","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7220205","18.732","0.007","9.935","0.004","17.851","0.007","90","","103.003","0.007","90","","3237","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cd Cl2 N6 O2 -","- C36 H26 Cd Cl2 N6 O2 -","- C144 H104 Cd4 Cl8 N24 O8 -","4","0.5","","Liu, Yang; Wang, Dan; Zheng, Xiangjun; Jin, Lin-Pei","Binding sites-driving sensing properties of a quinazoline derivative with metal cations","RSC Adv.","2015","","","","","10.1039/C5RA04841A","","","0.71073","MoKα","","0.0805","0.0465","","","0.1098","0.1399","","","","","","1.014","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7220206","10.2466","0.0004","13.8031","0.0006","14.1851","0.0005","105.164","0.002","101.176","0.002","96.925","0.002","1868.36","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[(2,2'-bipyridine)di(oxolinicato-κ^2^O,O)cobalt(II)] tris methanol solvate","[(2,2'-bipyridine)di(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxylato-κ^2^O,O)cobalt(II)] tris methanol solvate","","- C39 H40 Co N4 O13 -","- C39 H40 Co N4 O13 -","- C78 H80 Co2 N8 O26 -","2","1","","Irgi, Eugenia; Geromichalos, Georges; Balala, Sofia; Kljun, Jakob; Kalogiannis, Stavros; Papadopoulos, Athanasios; Turel, Iztok; Psomas, George L.","Cobalt(II) complexes with quinolone antimicrobial drug oxolinic acid: Structure and biological perspectives","RSC Adv.","2015","","","","","10.1039/C5RA05308K","","","0.71073","MoKα","","0.1239","0.0793","","","0.2191","0.2462","","","","","","1.118","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7220207","9.6387","0.0006","10.9157","0.0007","14.6164","0.0009","71.286","0.001","86.654","0.001","69.072","0.001","1357.7","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cd Cl2 N8 O11 -","- C18 H26 Cd Cl2 N8 O11 -","- C36 H52 Cd2 Cl4 N16 O22 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0335","0.031","","","0.0728","0.0747","","","","","","1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220208","9.6873","0.0004","10.9691","0.0005","14.6472","0.0006","71.049","0.001","86.413","0.001","69.045","0.001","1372.17","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24.35 Cd Cl1.64 N8 O11.36 S0.35 -","- C18 H24.359 Cd Cl1.641 N8 O11.359 S0.359 -","- C36 H48.718 Cd2 Cl3.282 N16 O22.718 S0.718 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0402","0.0315","","","0.0873","0.0947","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220209","9.6128","0.0005","10.597","0.0006","12.3183","0.0007","78.814","0.001","79.904","0.001","85.368","0.001","1210.51","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Ag Cl N4 O4 -","- C9 H10 Ag Cl N4 O4 -","- C36 H40 Ag4 Cl4 N16 O16 -","4","2","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0327","0.0282","","","0.0632","0.0655","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220210","9.5176","0.0018","11.006","0.002","12.411","0.002","89.458","0.002","80.103","0.002","69.138","0.002","1194.9","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20 Cd Cl N9 O4 S -","- C19 H20 Cd Cl N9 O4 S -","- C38 H40 Cd2 Cl2 N18 O8 S2 -","2","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.0251","0.0232","","","0.0585","0.0601","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220211","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Wang, You You; Jin, Qing; Liu, Shi Xin; Guo, Chao; Liu, Yuan Yuan; Ding, Bin; Wu, Xiang Xia; Li, Yan; Zhu, Zhao Zhou","A series of two-dimensional microporous triazole-functionalized metal‒organic frameworks with the new multi-dentate ligand 1-(4-aminobenzyl)-1,2,4-triazole: single-crystal-to-single-crystal transformation, structural diversity and luminescent sensing","RSC Adv.","2015","5","44","35238","","10.1039/C5RA04381F","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220212","9.21681","0.00017","7.14117","0.00012","19.9378","0.0003","90","","92.7636","0.0015","90","","1310.76","0.04","288.91","0.1","288.91","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","He, Tao; Zeng, Qingqing; yang, Dacheng; He, Yanhong; Guan, Zhi","Biocatalytic one-pot three-component synthesis of 3,3’-disubstituted oxindoles and spirooxindole pyrans using α-amylase from hog pancreas","RSC Adv.","2015","","","","","10.1039/C4RA16825A","","x-ray","1.54184","CuKα","","0.0462","0.0448","","","0.1217","0.1231","","","","","","1.019","","","","has coordinates","135765","2020-10-21","18:00:00",""
"7220213","8.82662","0.00014","27.6395","0.0004","13.1668","0.0002","90","","105.916","0.0017","90","","3089.08","0.09","288.02","0.1","288.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C136 H120 N24 O24 -","8","2","","He, Tao; Zeng, Qingqing; yang, Dacheng; He, Yanhong; Guan, Zhi","Biocatalytic one-pot three-component synthesis of 3,3’-disubstituted oxindoles and spirooxindole pyrans using α-amylase from hog pancreas","RSC Adv.","2015","","","","","10.1039/C4RA16825A","","x-ray","1.54184","CuKα","","0.0663","0.0639","","","0.1699","0.1714","","","","","","1.158","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7220214","9.142","0.0003","11.9074","0.0004","20.3303","0.001","90","","90","","90","","2213.1","0.15","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 F2 O6 -","- C24 H30 F2 O6 -","- C96 H120 F8 O24 -","4","1","","Abbas, Samah Sayed; Refaat, Mohamed; bebawy, lories; shokry, rafeek fahmy","Stability-indicating chromatographic determination of hydroquinone in combination with tretinoin and fluocinolone acetonide in pharmaceutical formulation with photodegradation kinetic study","RSC Adv.","2015","","","","","10.1039/C5RA07083J","","","0.71073","MoKα","","0.1712","0.0544","","0.1027","0.0673","0.0673","","","","","","0.9361","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220215","5.0576","0.0004","11.4615","0.0007","23.3465","0.0011","90","","91.898","0.006","90","","1352.6","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.71073","MoKα","","0.0768","0.0652","","","0.174","0.1858","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220216","10.2681","0.0004","7.7447","0.0003","17.5818","0.0009","90","","93.836","0.004","90","","1395.03","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.71073","MoKα","","0.0576","0.0441","","","0.1085","0.1204","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220217","10.8597","0.0013","24.115","0.004","5.0303","0.0007","90","","90","","90","","1317.3","0.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.7107","MoKα","","0.0718","0.0718","","","","0.141","","","","","","1.1178","","","","has coordinates","135767","2020-10-21","18:00:00",""
"7220218","8.1167","0.001","8.3589","0.001","10.5321","0.0013","92.178","0.01","104.565","0.011","94.094","0.01","688.68","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C32 H32 Cl2 N2 O4 -","2","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.71073","","","0.0786","0.0637","","","","0.1872","","","","","","1.0392","","","","has coordinates","135767","2020-10-21","18:00:00",""
"7220219","7.4914","0.0002","20.7986","0.0005","7.9056","0.0002","90","","93.019","0.002","90","","1230.07","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M.","Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties","RSC Adv.","2015","","","","","10.1039/C5RA02295A","","","0.71073","","","0.0307","0.0294","","","","0.0725","","","","","","1.0546","","","","has coordinates","135767","2020-10-21","18:00:00",""
"7220220","6.5765","0.001","15.314","0.002","16.664","0.002","89.607","0.007","89.35","0.008","88.861","0.007","1677.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(ethylenedithio)(2-hydroxypropylene-1,3-dithio)Tetrathiafulvalene","","- C11 H10 O S8 -","- C10.789 H9.578 O S8 -","- C43.156 H38.312 O4 S32 -","4","2","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.0533","0.0434","","","0.1113","0.1156","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220221","18.2374","0.0017","6.1992","0.0006","34.267","0.003","90","","103.472","0.004","90","","3767.5","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4,4-(Bishydroxymethyl)cyclopentan-1,2-dithio)(ethylenedithio)-tetrathiafulvalene","","- C15 H16 O2 S8 -","- C15 H16 O2 S8 -","- C120 H128 O16 S64 -","8","1","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.0816","0.0781","","","0.1811","0.1825","","","","","","1.334","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220222","6.5807","0.0003","12.187","0.0007","15.5413","0.0009","111.004","0.003","100.434","0.003","91.42","0.003","1138.87","0.11","150","","150","2","","","","","","","","4","P -1","-P 1","2","","cis-4"",4""-bis(acetoxymethyl)cyclopenta-1,2-dithio)(ethylenedithio)tetrathiafulvalene","","- C19 H20 O4 S8 -","- C19 H20 O4 S8 -","- C38 H40 O8 S16 -","2","1","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.0353","0.0292","","","0.0734","0.0774","","","","","","1.026","","","","has coordinates,has disorder","135768","2020-10-21","18:00:00",""
"7220223","7.9246","0.0004","8.6449","0.0004","16.2901","0.0008","87.891","0.002","86.545","0.002","76.982","0.002","1085.02","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 I6.6 O2 S16 -","- C22 H20 I6.5954 O2 S16 -","- C22 H20 I6.5954 O2 S16 -","1","0.5","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.0806","0.0696","","","0.1787","0.1872","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220224","14.5595","0.0007","13.7315","0.0007","33.707","0.003","90","","98.022","0.006","90","","6672.9","0.8","150","2","150","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","Hydroxymethyl-(BEDT-TTF) triiodide","","","- C11 H10 I3 O S8 -","- C11 H6 I3.00033 O S8 -","- C132 H72 I36.004 O12 S96 -","12","1.5","","Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael","A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies","RSC Adv.","2015","","","","","10.1039/C5RA04568A","","","0.71073","MoKα","","0.1171","0.0893","","","0.1987","0.214","","","","","","1.115","","","","has coordinates,has disorder","135768","2020-10-21","18:00:00",""
"7220225","12.9325","0.0008","13.5537","0.0009","7.1627","0.0006","90","","112.212","0.009","90","","1162.33","0.16","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- K0.13 Mg Mo3 Na3.87 O12 -","- K0.131 Mg Mo3 Na3.869 O12 -","- K0.524 Mg4 Mo12 Na15.476 O48 -","4","0.5","","Ennajeh, Ines; Georges, Samuel; Smida, Youssef Ben; Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Boughazala, Habib","Synthesis, crystal structure, sintering and electrical properties of a new alluaudite-like triple molybdate K0.13Na3.87MgMo3O12","RSC Adv.","2015","5","49","38918","","10.1039/C5RA02276B","","","0.71073","MoKα","","0.0256","0.0241","","","0.0579","0.0584","","","","","","1.229","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7220226","12.608","0.0002","14.2145","0.0001","14.898","0.0005","69.321","0.011","67.503","0.012","78.329","0.015","2300.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","C51H35Eu2N5O13","","- C51 H35 Eu2 N5 O13 -","- C51 H35 Eu2 N5 O13 -","- C102 H70 Eu4 N10 O26 -","2","1","","Zou, Shuzhi; Li, Qipeng; Du, Shaowu","Efficient and tunable multi-color and white light Ln-MOFs with high luminescent quantum yields","RSC Adv.","2015","","","","","10.1039/C5RA03710G","","","0.71073","MoKα","","0.0429","0.0364","","","0.116","0.1515","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220227","12.6176","0.0019","14.198","0.002","14.896","0.002","69.221","0.005","67.598","0.005","78.395","0.007","2300","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","C83-2","","- C51 H35 Gd2 N5 O13 -","- C51 H35 Gd2 N5 O13 -","- C102 H70 Gd4 N10 O26 -","2","1","","Zou, Shuzhi; Li, Qipeng; Du, Shaowu","Efficient and tunable multi-color and white light Ln-MOFs with high luminescent quantum yields","RSC Adv.","2015","","","","","10.1039/C5RA03710G","","","0.71073","MoKα","","0.0415","0.0388","","","0.1167","0.1271","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220228","12.608","0.0002","14.2145","0.0001","14.898","0.0005","69.321","0.011","67.503","0.012","78.329","0.015","2300.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","C83-3","","- C51 H35 N5 O13 Tb2 -","- C51 H35 N5 O13 Tb2 -","- C102 H70 N10 O26 Tb4 -","2","1","","Zou, Shuzhi; Li, Qipeng; Du, Shaowu","Efficient and tunable multi-color and white light Ln-MOFs with high luminescent quantum yields","RSC Adv.","2015","","","","","10.1039/C5RA03710G","","","0.71073","MoKα","","0.043","0.04","","","0.1268","0.1348","","","","","","1.142","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220229","8.866","0.002","27.561","0.006","10.836","0.003","90","","103.074","0.004","90","","2579.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O3 -","- C31 H32 N2 O3 -","- C124 H128 N8 O12 -","4","1","","Pramanik, Animesh; Debnath, Kamalesh; Singha, Krishnadipti","Magnetically separable Fe3O4-SO3H nanoparticles as an efficient solid acid support for the facile synthesis of two types of spiroindole fused dihydropyridine derivatives under solvent free conditions","RSC Adv.","2015","","","","","10.1039/C5RA00737B","","","0.71073","MoKα","","0.1421","0.0551","","","0.1294","0.1717","","","","","","0.863","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220230","15.762","0.01","15.776","0.01","15.783","0.01","81.845","0.009","82.064","0.008","81.901","0.008","3818","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O3 -","- C29 H27.6667 N2 O3 -","- C174 H166 N12 O18 -","6","3","","Pramanik, Animesh; Debnath, Kamalesh; Singha, Krishnadipti","Magnetically separable Fe3O4-SO3H nanoparticles as an efficient solid acid support for the facile synthesis of two types of spiroindole fused dihydropyridine derivatives under solvent free conditions","RSC Adv.","2015","","","","","10.1039/C5RA00737B","","","0.71073","MoKα","","0.3149","0.1516","","","0.3795","0.4589","","","","","","1.08","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7220231","19.2495","0.0004","10.09683","0.00017","34.277","0.0007","90","","105.887","0.002","90","","6407.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C23 H42 F6 N4 O4 S2 -","- C23 H42 F6 N4 O4 S2 -","- C184 H336 F48 N32 O32 S16 -","8","2","","Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John","Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids","RSC Adv.","2015","","","","","10.1039/C5RA05254H","","x-ray","1.54184","CuKα","","0.0431","0.0413","","","0.1094","0.1111","","","","","","1.027","","","","has coordinates","135772","2020-10-21","18:00:00",""
"7220232","20.8556","0.0005","14.7302","0.0004","18.677","0.0005","90","","101.824","0.002","90","","5616","0.3","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F6 N4 O4 S2 -","- C11 H18 F6 N4 O4 S2 -","- C132 H216 F72 N48 O48 S24 -","12","3","","Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John","Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids","RSC Adv.","2015","","","","","10.1039/C5RA05254H","","","0.71073","MoKα","","0.062","0.0374","","","0.0855","0.0999","","","","","","1.007","","","","has coordinates","135772","2020-10-21","18:00:00",""
"7220233","11.73","0.005","12.698","0.005","13.453","0.005","70.126","0.005","67.298","0.005","64.847","0.005","1635.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H45 B Co2 N12 O50 W12 -","- C30 H24 B Co2 N12 O50 W12 -","- C30 H24 B Co2 N12 O50 W12 -","1","0.5","","Zhou, Wanli; Peng, Jun; Zhang, Zheyu; Shi, Zhenyu; Khan, shifa Ullah; Liu, Hong-Sheng","Assembly of hybrids based on polyoxotungstates and Co-tris(imidazolyl) complexes with bifunctional electrocatalytic activities","RSC Adv.","2015","","","","","10.1039/C5RA01165E","","","0.71069","MoKα","","0.092","0.0824","","","0.1806","0.1849","","","","","","1.039","","","","has coordinates","135773","2020-10-21","18:00:00",""
"7220234","11.706","0.005","12.743","0.005","13.415","0.005","70.234","0.005","67.789","0.005","65.151","0.005","1642.4","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H40 Co2 N12 O48 Si W12 -","- C30 H24 Co2 N12 O48 Si W12 -","- C30 H24 Co2 N12 O48 Si W12 -","1","0.5","","Zhou, Wanli; Peng, Jun; Zhang, Zheyu; Shi, Zhenyu; Khan, shifa Ullah; Liu, Hong-Sheng","Assembly of hybrids based on polyoxotungstates and Co-tris(imidazolyl) complexes with bifunctional electrocatalytic activities","RSC Adv.","2015","","","","","10.1039/C5RA01165E","","","0.71069","MoKα","","0.0975","0.0798","","","0.1696","0.1787","","","","","","1.069","","","","has coordinates","135773","2020-10-21","18:00:00",""
"7220235","12.3","0.005","13.241","0.005","18.837","0.005","98.227","0.005","94.896","0.005","93.212","0.005","3018","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B2 Co N24 O88 W24 -","- C60 H56 B2 Co N24 O88 W24 -","- C60 H56 B2 Co N24 O88 W24 -","1","0.5","","Zhou, Wanli; Peng, Jun; Zhang, Zheyu; Shi, Zhenyu; Khan, shifa Ullah; Liu, Hong-Sheng","Assembly of hybrids based on polyoxotungstates and Co-tris(imidazolyl) complexes with bifunctional electrocatalytic activities","RSC Adv.","2015","","","","","10.1039/C5RA01165E","","","0.71069","MoKα","","0.0753","0.0505","","","0.1248","0.1544","","","","","","1.061","","","","has coordinates","135773","2020-10-21","18:00:00",""
"7220236","7.0534","0.0004","13.3638","0.0008","16.8646","0.001","90","","90","","90","","1589.66","0.16","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C56 H64 N8 O32 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0307","0.0231","","","0.0612","0.0653","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220237","13.6211","0.0006","7.7315","0.0004","16.8791","0.0008","90","","103.779","0.001","90","","1726.41","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O10 Zn -","- C14 H20 N2 O10 Zn -","- C56 H80 N8 O40 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0279","0.0234","","","0.0583","0.0601","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220238","7.1867","0.0003","13.3223","0.0006","16.8797","0.0007","90","","90","","90","","1616.12","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Co N2 O8 -","- C14 H16 Co N2 O8 -","- C56 H64 Co4 N8 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0467","0.0357","","","0.0974","0.1056","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220239","7.1353","0.0004","13.2866","0.0008","16.8095","0.001","90","","90","","90","","1593.61","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 Ni O8 -","- C14 H16 N2 Ni O8 -","- C56 H64 N8 Ni4 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0514","0.0322","","","0.0841","0.0947","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220240","13.391","0.0004","7.7123","0.0002","16.9892","0.0005","90","","104.456","0.001","90","","1699.02","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Ni O10 -","- C14 H20 N2 Ni O10 -","- C56 H80 N8 Ni4 O40 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0348","0.0277","","","0.0715","0.0746","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220241","8.558","0.0004","10.3042","0.0005","12.2558","0.0006","90","","108.008","0.001","90","","1027.81","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu N4 O14 -","- C14 H18 Cu N4 O14 -","- C28 H36 Cu2 N8 O28 -","2","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0558","0.0527","","","0.1445","0.147","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220242","7.256","0.006","7.425","0.006","9.897","0.008","89.716","0.017","77.622","0.017","86.15","0.019","519.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu N4 O14 -","- C14 H18 Cu N4 O14 -","- C14 H18 Cu N4 O14 -","1","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0416","0.035","","","0.0884","0.0945","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220243","7.451","0.002","10.916","0.003","12.454","0.004","90","","106.955","0.006","90","","968.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cu N3 O8 -","- C17 H21 Cu N3 O8 -","- C34 H42 Cu2 N6 O16 -","2","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.1145","0.0719","","","0.1907","0.2294","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220244","7.7474","0.0007","9.0283","0.0008","11.6264","0.001","81.603","0.002","80.274","0.002","81.512","0.002","786.61","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl Cu N2 O7 -","- C14 H15 Cl Cu N2 O7 -","- C28 H30 Cl2 Cu2 N4 O14 -","2","1","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0322","0.0279","","","0.0731","0.0758","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220245","6.9918","0.0005","13.1602","0.0009","17.1546","0.0012","90","","90","","90","","1578.45","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N2 O8 -","- C14 H16 Cu N2 O8 -","- C56 H64 Cu4 N8 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0324","0.0247","","","0.0618","0.0651","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220246","7.5935","0.0003","7.7855","0.0004","14.672","0.0007","83.035","0.001","86.383","0.001","61.421","0.001","756.08","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl Cu N2 O6 -","- C14 H13 Cl Cu N2 O6 -","- C28 H26 Cl2 Cu2 N4 O12 -","2","1","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0271","0.0242","","","0.0647","0.0661","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220247","28.325","0.002","7.1216","0.0006","12.6168","0.0013","90","","114.533","0.014","90","","2315.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O8 Zn -","- C26 H24 N2 O8 Zn -","- C104 H96 N8 O32 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","1.54184","CuKα","","0.0685","0.0572","","","0.1459","0.1594","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220248","25.0244","0.0009","7.5228","0.0003","12.9729","0.0005","90","","107.786","0.0007","90","","2325.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O8 Zn -","- C26 H24 N2 O8 Zn -","- C104 H96 N8 O32 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0322","0.0289","","","0.0766","0.079","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220249","26.264","0.002","8.4871","0.0008","12.0334","0.0011","90","","114.801","0.002","90","","2434.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O9 Zn -","- C26 H26 N2 O9 Zn -","- C104 H104 N8 O36 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0315","0.0281","","","0.0827","0.085","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220250","25.051","0.011","7.425","0.003","12.951","0.006","90","","107.721","0.008","90","","2294.6","1.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Co N2 O8 -","- C26 H24 Co N2 O8 -","- C104 H96 Co4 N8 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.1329","0.0575","","","0.0934","0.1167","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220251","24.917","0.004","7.387","0.0011","12.944","0.002","90","","107.482","0.004","90","","2272.5","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 Ni O8 -","- C26 H24 N2 Ni O8 -","- C104 H96 N8 Ni4 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.121","0.0563","","","0.1062","0.129","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220252","9.904","0.002","10.165","0.002","12.286","0.003","77.47","0.003","68.167","0.003","85.302","0.003","1120.8","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N2 O6 -","- C26 H20 Mn N2 O6 -","- C52 H40 Mn2 N4 O12 -","2","1","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0658","0.041","","","0.0962","0.1069","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220253","11.455","0.002","8.5195","0.0017","16.698","0.003","90","","103.81","0.03","90","","1582.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Co(tdzdc)(4,4?-bipy)(H2O)]n","","- C14 H10 Co N4 O5 S -","- C14 H10 Co N4 O5 S -","- C56 H40 Co4 N16 O20 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0418","0.0374","","","0.082","0.084","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220254","34.618","0.007","10.056","0.002","7.5334","0.0015","90","","100.66","0.03","90","","2577.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n","","- C18 H18 N6 O13 S2 Zn2 -","- C18 H8 N6 O13 S2 Zn2 -","- C72 H32 N24 O52 S8 Zn8 -","4","0.5","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.1021","0.0946","","","0.2215","0.225","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220256","14.55","0.003","10.115","0.002","7.4802","0.0015","90","","95.76","0.03","90","","1095.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(tdzdc)2(obpy)(H2O)2]n","","- C9 H6 N3 O6 S Zn -","- C9 H6 N3 O6 S Zn -","- C36 H24 N12 O24 S4 Zn4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0851","0.0722","","","0.1747","0.182","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220258","7.6957","0.0003","10.2182","0.0005","15.9408","0.0009","86.945","0.004","86.035","0.004","76.831","0.004","1216.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O21 Tb2 -","- C16 H20 N2 O21 Tb2 -","- C32 H40 N4 O42 Tb4 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0617","0.0664","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220259","7.7297","0.0004","10.2725","0.0005","16.0234","0.0009","86.817","0.004","85.974","0.005","77.107","0.004","1236.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Eu2 N2 O21 -","- C16 H20 Eu2 N2 O21 -","- C32 H40 Eu4 N4 O42 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0684","0.0454","","","0.0655","0.0734","","","","","","1.008","","","","has coordinates","138510","2020-10-21","18:00:00",""
"7220260","6.39","0.0003","9.8657","0.0006","12.5336","0.0009","92.036","0.003","97.215","0.004","94.435","0.004","780.72","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O7 U -","- C14 H20 O7 U -","- C28 H40 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0333","0.0268","","","0.0567","0.0582","","","","","","1.013","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220261","11.9941","0.0006","12.8275","0.0007","13.8161","0.0007","90","","106.114","0.003","90","","2042.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O7 U -","- C19 H27 N O7 U -","- C76 H108 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0504","0.0281","","","0.0528","0.0568","","","","","","0.95","","","","has coordinates,has disorder","138539","2020-10-21","18:00:00",""
"7220262","22.0938","0.0011","9.487","0.0003","17.2485","0.0009","90","","117.251","0.002","90","","3214.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19.5 N0.5 O6 U -","- C15 H19.5 N0.5 O6 U -","- C120 H156 N4 O48 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0303","0.024","","","0.055","0.0565","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220263","8.4491","0.0006","25.5329","0.0014","9.3969","0.0008","90","","94.063","0.005","90","","2022.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O7 U -","- C17 H25 N O7 U -","- C68 H100 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0944","0.0773","","","0.1842","0.1927","","","","","","1.189","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220264","16.5765","0.0004","13.5501","0.0004","24.0775","0.0008","90","","95.8","0.002","90","","5380.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 O19 U2 -","- C46 H76 N2 O19 U2 -","- C184 H304 N8 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0682","0.0384","","","0.0828","0.09","","","","","","0.984","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220265","10.9563","0.0008","12.8519","0.001","14.8421","0.0012","70.974","0.002","83.543","0.002","86.737","0.002","1962.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Eu2 N4 O13 -","- C42 H26 Eu2 N4 O13 -","- C84 H52 Eu4 N8 O26 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.087","0.0554","","","0.1074","0.1297","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220266","10.8919","0.0015","12.852","0.0017","14.933","0.002","70.463","0.003","82.65","0.002","85.85","0.003","1952.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Tb2 -","- C42 H26 N4 O13 Tb2 -","- C84 H52 N8 O26 Tb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.1191","0.057","","","0.077","0.0953","","","","","","0.822","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220267","10.7901","0.0009","12.8494","0.001","15.0261","0.0012","69.573","0.001","81.107","0.002","84.518","0.002","1926.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Yb2 -","- C42 H26 N4 O13 Yb2 -","- C84 H52 N8 O26 Yb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.0742","0.0478","","","0.0935","0.1074","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220268","10.239","0.0008","6.0429","0.0004","16.454","0.002","90","","95.999","0.008","90","","1012.49","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0566","0.0464","","","0.1213","0.1314","","","","","","0.984","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220270","11.0209","0.0001","16.093","0.0002","26.6261","0.0004","90","","90.074","0.001","90","","4722.38","0.1","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C208 H272 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.0594","0.0499","","","0.1361","0.1455","","","","","","1.023","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220271","11.3557","0.0013","13.324","0.002","16.537","0.003","108.171","0.008","94.406","0.008","92.266","0.007","2365","0.6","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C104 H136 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0898","0.0556","","","0.1303","0.1503","","","","","","1.027","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220272","8.9268","0.0003","14.4126","0.0007","20.6525","0.0011","85.264","0.002","85.152","0.002","73.771","0.003","2537.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","","- C54 H71 N O14 -","- C54 H71 N O14 -","- C108 H142 N2 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0809","0.0526","","","0.1215","0.1393","","","","","","1.018","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220273","17.9718","0.0004","19.3215","0.0003","15.5981","0.0002","90","","102.183","0.0017","90","","5294.33","0.16","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","","- C54 H74 Cl2 O15 -","- C54 H74 Cl2 O15 -","- C216 H296 Cl8 O60 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.1117","0.0932","","","0.2789","0.2996","","","","","","1.075","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220274","17.5687","0.0004","23.0884","0.0005","15.7904","0.0003","90","","108.034","0.002","90","","6090.4","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","","- C55 H71 Cl9 O14 -","- C55 H71 Cl9 O14 -","- C220 H284 Cl36 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.1329","0.086","","","0.2238","0.2632","","","","","","1.022","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220275","13.2706","0.0003","15.2318","0.0003","16.1051","0.0004","80.0591","0.0019","89.3602","0.0019","88.922","0.0018","3205.86","0.13","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C107 H142 Cs4 F24 O29 P4 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.047","0.0408","","","0.1086","0.1138","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220276","19.9517","0.0004","16.9799","0.0004","17.9735","0.0004","90","","105.634","0.002","90","","5863.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","","- C53.5 H72.5 Ag2 F12 O15.25 P2 -","- C52 H68 Ag2 F12 O14 P2 -","- C208 H272 Ag8 F48 O56 P8 -","4","0.5","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.0635","0.056","","","0.1684","0.177","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220278","15.805","0.0007","16.2661","0.0007","18.4549","0.0006","94.688","0.003","95.58","0.003","117.328","0.004","4151.9","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","","- C44.5 H56 Cl1.5 D0.5 O12 -","- C44.5 H56.5 Cl1.5 O12 -","- C178 H226 Cl6 O48 -","4","2","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.097","0.0744","","","0.2054","0.2335","","","","","","1.031","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220279","17.5554","0.0003","13.43772","0.00018","19.9408","0.0004","90","","114.831","0.002","90","","4269.23","0.14","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate","","- C46 H57 N O11 -","- C46 H57 N O11 -","- C184 H228 N4 O44 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1026","0.1104","","","","","","1.023","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220281","12.589","0.007","15.197","0.007","9.669","0.005","90","","115.502","0.008","90","","1669.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B2 H N3 O17 Pb6 -","- B2 N3 O16 Pb6 -","- B8 N12 O64 Pb24 -","4","0.5","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1116","0.1151","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220282","9.0637","0.0003","9.9713","0.0004","11.6123","0.0005","85.559","0.003","79.021","0.003","88.64","0.003","1027.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B2 H N3 O19 Pb8 -","- B2 N3 O19 Pb8 -","- B4 N6 O38 Pb16 -","2","1","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0268","0.0218","","","0.0342","0.0364","","","","","","0.924","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220283","8.8603","0.0007","15.0334","0.0012","15.751","0.0012","91.487","0.002","101.436","0.002","104.501","0.001","1984.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C110 H94 O4 -","- C110 H94 O4 -","- C110 H94 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.069","0.0513","","","0.1309","0.1447","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220284","16.743","0.006","11.222","0.004","20.629","0.007","90","","110.342","0.006","90","","3634","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C44 H59 O2 -","- C44 H59 O2 -","- C176 H236 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1378","0.078","","","0.1881","0.2159","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220285","16.7","0.005","11.277","0.004","20.825","0.007","90","","110.134","0.007","90","","3682","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H60 O2 -","- C45 H60 O2 -","- C180 H240 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1765","0.0883","","","0.2046","0.2447","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220286","17.096","0.004","11.004","0.002","21.653","0.005","90","","110.79","0.004","90","","3808.2","1.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H61 O2 -","- C45 H61 O2 -","- C180 H244 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1871","0.0986","","","0.2617","0.3125","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220287","8.126","0.002","8.979","0.003","14.064","0.004","71.815","0.007","75.414","0.007","66.78","0.007","886.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C48 H42 O4 -","- C48 H42 O4 -","- C48 H42 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.0664","0.0486","","","0.1252","0.1339","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220288","11.057","0.005","12.6","0.005","13.982","0.005","82.66","0.005","84.841","0.005","82.541","0.005","1910.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Cd2 N4 O8.5 -","- C44 H28 Cd2 N4 O8.5 -","- C88 H56 Cd4 N8 O17 -","2","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0538","0.0357","","","0.0845","0.093","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220289","11.561","0.005","14.705","0.005","11.867","0.005","90","","95.169","0.005","90","","2009.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd N2 O4.5 -","- C24 H14 Cd N2 O4.5 -","- C96 H56 Cd4 N8 O18 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0447","0.0294","","","0.066","0.0717","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220290","15.0315","0.0014","10.8209","0.001","20.331","0.0019","90","","106.002","0.002","90","","3178.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cu2 N6 O9 -","- C31 H22 Cu2 N6 O8 -","- C124 H88 Cu8 N24 O32 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.0923","0.0474","","","0.0834","0.0925","","","","","","1.023","","","","has coordinates","143406","2020-10-21","18:00:00",""
"7220291","15.481","0.005","15.415","0.005","15.994","0.005","90","","118.221","0.005","90","","3363.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Co3 N8 O18 -","- C72 H66 Co3 N8 O18 -","- C144 H132 Co6 N16 O36 -","2","0.5","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.063","0.0439","","","0.1071","0.1172","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220292","9.7473","0.0019","15.238","0.003","30.16","0.006","90","","93.463","0.003","90","","4471.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cd2 N10 O11 -","- C48 H34.5 Cd2 N10 O11 -","- C192 H138 Cd8 N40 O44 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.1349","0.0821","","","0.2085","0.2446","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220298","9.687","0.002","17.32","0.005","12.544","0.003","90","","108.034","0.007","90","","2001.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Pd S7 -","- C13 H18 N2 Pd S7 -","- C52 H72 N8 Pd4 S28 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0475","0.0289","","","0.0633","0.0673","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220300","18.7965","0.001","13.9047","0.0008","12.8843","0.0006","90","","96.01","0.004","90","","3348.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C120 H164 I8 N12 O24 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1164","0.0553","","","0.0715","0.1651","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220302","8.1929","0.0002","11.3278","0.0003","13.1285","0.0003","90","","105.735","0.003","90","","1172.76","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-trimethylammonium-benzoic acid iodide","3-trimethylammonium-benzoic acid iodide","","- C10 H14 I N O2 -","- C10 H14 I N O2 -","- C40 H56 I4 N4 O8 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.0765","0.0675","","","0.1846","0.1988","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220303","7.7212","0.0008","11.4938","0.0012","11.997","0.0012","90","","115.507","0.001","90","","960.91","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Mo2.66 O12 W0.34 -","- Bi2 Mo2.656 O12 W0.344 -","- Bi8 Mo10.624 O48 W1.376 -","4","1","","Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang","Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal","CrystEngComm","2015","17","24","4525","","10.1039/C5CE00639B","","","0.71069","MoKα","","0.0353","0.0249","","","0.0449","0.0479","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220305","3.9185","0.0003","10.5324","0.001","25.539","0.002","90","","90.642","0.003","90","","1053.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0931","0.0515","","","0.1373","0.163","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220306","3.8161","0.0002","10.6532","0.0005","25.8317","0.0012","90","","90.724","0.003","90","","1050.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C52 H40 F4 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1022","0.0553","","","0.1472","0.1941","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220309","7.8462","0.0005","11.2089","0.0009","16.8641","0.0012","90","","92.389","0.005","90","","1481.86","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-(naphthalen-2-yl)-7-(trifluorometh","","","- C18 H12 F3 N3 -","- C18 H12 F3 N3 -","- C72 H48 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.191","0.0535","","","0.1099","0.1521","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220310","10.3016","0.0007","16.0564","0.0011","6.8555","0.0006","90","","93.098","0.005","90","","1132.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2,5-dimethyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C36 H32 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1291","0.0754","","","0.1958","0.2157","","","","","","0.878","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220311","11.2451","0.0008","5.8697","0.0004","20.9201","0.0016","90","","104.896","0.005","90","","1334.43","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-tricholoromethyl-5-propylpyrazolo[1,5-a]pyrimidine","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C44 H48 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0576","0.0361","","","0.1069","0.1361","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220314","4.8715","0.0002","11.2655","0.0005","13.5584","0.0006","110.225","0.003","96.808","0.003","99.835","0.003","675.13","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[1,5-a]pyrimidine","2-methyl-5-p-tolyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C15 H12 F3 N3 -","- C15 H12 F3 N3 -","- C30 H24 F6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0959","0.0595","","","0.1859","0.2282","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","138536","2020-10-21","18:00:00",""
"7220317","16.424","0.018","32.97","0.04","7.432","0.01","90","","92.02","0.03","90","","4022","9","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14.98 N2 O4 Zn -","- C26 H14.982 N2 O4 Zn -","- C104 H59.928 N8 O16 Zn4 -","4","0.5","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","1.54187","CuKα","","0.0731","0.0689","","","0.2051","0.2151","","","","","","1.076","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220318","8.5983","0.0006","10.15","0.0007","16.0657","0.001","75.657","0.002","88.717","0.002","67.973","0.002","1255.35","0.15","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O4 -","- C26 H16 Cu N2 O4 -","- C52 H32 Cu2 N4 O8 -","2","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.0752","0.0559","","","0.1713","0.182","","","","","","1.06","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220320","16.5081","0.0007","23.4259","0.0008","10.2617","0.0003","90","","92.433","0.003","90","","3964.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O6 W -","- C16 H26 N4 O6 W -","- C128 H208 N32 O48 W8 -","8","2","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","1.54178","CuKα","","0.1131","0.084","","","0.1897","0.2009","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220321","7.1077","0.0006","30.734","0.003","9.8061","0.0008","90","","102.769","0.002","90","","2089.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","0.71073","MoKα","","0.082","0.0577","","","0.1067","0.1171","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220323","10.9252","0.0009","9.3337","0.0006","14.2595","0.0003","90","","98.0093","0.001","90","","1439.89","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn(Im)(HIm)2(OAc)","","- C11 H14 N6 O2 Zn -","- C11 H14 N6 O2 Zn -","- C44 H56 N24 O8 Zn4 -","4","1","","Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang","A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks","CrystEngComm","2015","17","21","3998","","10.1039/C5CE00211G","","","0.71073","MoKα","","0.1112","0.0656","","","0.1627","0.1726","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220324","9.3789","0.0003","10.9247","0.0004","18.8993","0.0006","104.858","0.003","94.314","0.002","107.714","0.003","1758.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 O14 Zn2.5 -","- C24 H10 O14 Zn2.5 -","- C48 H20 O28 Zn5 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54178","CuKα","","0.0508","0.0465","","","0.1505","0.1558","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220325","11.0076","0.0004","21.4138","0.0008","13.7391","0.0006","90","","108.52","0.005","90","","3070.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N0 O13 Zn -","- C24 H13 O13 Zn -","- C96 H52 O52 Zn4 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0624","0.0457","","","0.0989","0.1056","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220326","18.3439","0.0003","8.809","0.0001","23.4388","0.0004","90","","101.965","0.002","90","","3705.22","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O8.5 Zn -","- C17 H20 N2 O8.5 Zn -","- C136 H160 N16 O68 Zn8 -","8","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0568","0.0548","","","0.1477","0.1492","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220327","12.024","0.003","13.773","0.004","15.85","0.004","90","","99.093","0.005","90","","2591.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 Zn2 -","- C16 H11 N O10 Zn2 -","- C64 H44 N4 O40 Zn8 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","0.71073","MoKα","","0.0523","0.0439","","","0.1314","0.1359","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220328","17.0549","0.0003","15.3986","0.0003","23.0104","0.0005","90","","102.754","0.002","90","","5893.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N2 O18 Zn4 -","- C38 H41 N4 O18 Zn4 -","- C152 H164 N16 O72 Zn16 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0933","0.0824","","","0.25","0.2626","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7220330","6.9599","0.0005","25.9822","0.0013","8.01","0.0005","90","","105.224","0.007","90","","1397.64","0.16","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theophylline-salicylic acid cocrystal","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Zhang, Shuo; Chen, Hong; Rasmuson, Åke. C.","Thermodynamics and crystallization of a theophylline‒salicylic acid cocrystal","CrystEngComm","2015","17","22","4125","","10.1039/C5CE00240K","","","1.54178","CuKα","","0.0886","0.0718","","","0.1994","0.2085","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220335","7.0081","0.0014","11.651","0.004","12.321","0.003","88.883","0.014","78.274","0.015","87.09","0.02","983.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0751","0.0729","","","0.1709","0.1776","","","","","","1.095","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220336","7.054","0.0002","11.7587","0.0006","12.42","0.0006","90","","102.097","0.003","90","","1007.31","0.08","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.0388","","","0.1068","0.1101","","","","","","1.075","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220337","7.065","0.005","11.601","0.005","12.596","0.005","87.073","0.005","78.284","0.005","83.751","0.005","1004.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0385","","","0.1015","0.1043","","","","","","1.156","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220338","7.1138","0.0005","11.8204","0.0008","12.7513","0.0008","88.872","0.005","77.488","0.005","87.918","0.005","1046","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1801","0.1403","","","0.3974","0.4351","","","","","","1.584","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220339","10.0292","0.0001","12.6468","0.0001","16.6405","0.0002","76.624","0.001","79.849","0.001","88.912","0.001","2020.72","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0326","","","0.0794","0.085","","","","","","1.017","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220340","10.078","0.0002","12.7955","0.0004","16.6985","0.0005","76.079","0.001","80.178","0.002","89.127","0.002","2058.69","0.1","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0927","0.0439","","","0.0888","0.1041","","","","","","1.006","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220341","7.2421","0.0002","11.5317","0.0004","12.6415","0.0003","84.884","0.002","77.206","0.002","83.702","0.002","1021.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.039","","","0.1083","0.1113","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220342","7.275","0.002","11.692","0.004","12.76","0.004","85.868","0.002","76.764","0.002","85.302","0.002","1051.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.043","0.0349","","","0.0885","0.0938","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220343","7.6106","0.0001","11.3658","0.0002","23.8383","0.0005","90","","93.826","0.001","90","","2057.43","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0558","0.0421","","","0.0835","0.0876","","","","","","1.158","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220344","7.6865","0.0002","11.5038","0.0004","24.0051","0.0007","90","","85.856","0.002","90","","2117.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0764","0.0585","","","0.1557","0.1666","","","","","","1.076","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220345","7.668","0.0002","11.4447","0.0002","24.1613","0.0005","90","","93.46","0.001","90","","2116.48","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0524","0.0359","","","0.0801","0.0862","","","","","","1.043","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220346","7.7266","0.0003","11.5898","0.0005","24.3459","0.0009","90","","93.458","0.002","90","","2176.2","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1165","0.046","","","0.0955","0.1191","","","","","","0.959","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220347","7.6664","0.0001","11.6061","0.0002","23.8228","0.0004","90","","96.237","0.001","90","","2107.14","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0489","0.0355","","","0.0902","0.0971","","","","","","1.06","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220348","7.753","0.0003","11.7757","0.0005","24.0225","0.001","90","","96.556","0.002","90","","2178.84","0.15","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0549","0.0482","","","0.1334","0.1401","","","","","","1.066","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220349","15.4575","0.0002","11.6172","0.0002","24.5781","0.0002","90","","102.438","0.001","90","","4309.97","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H102 Fe4 N28 O Se8 -","- C144 H204 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0729","0.0442","","","0.1053","0.1175","","","","","","1.007","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220350","15.5939","0.0003","11.7657","0.0002","24.7536","0.0005","90","","102.373","0.001","90","","4436.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H103 Fe4 N28 O Se8 -","- C144 H206 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0943","0.0477","","","0.1176","0.1367","","","","","","1.027","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220351","12.8229","0.0004","14.7384","0.0005","25.0376","0.0008","90","","91.34","0.0001","90","","4730.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cu3 Mo24 N32 O84 P2 -","- C16 H36 Cu3 Mo24 N32 O84 P2 -","- C32 H72 Cu6 Mo48 N64 O168 P4 -","2","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0319","0.0289","","","0.1147","0.119","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220353","13.4466","0.0011","13.4785","0.0011","13.8805","0.0012","64.45","0.0001","61.819","0.0001","78.75","0.002","2000.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 Cr Cu2 Mo6 N16 O28 -","- C8 H22 Cr Cu2 Mo6 N16 O28 -","- C16 H44 Cr2 Cu4 Mo12 N32 O56 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0929","0.0532","","","0.143","0.1641","","","","","","1.023","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220354","10.0148","0.0007","19.0431","0.0014","21.532","0.0015","90","","102.757","0.001","90","","4005.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H32 Cu3 Mo8 N12 O37 -","- C6 H24 Cu3 Mo8 N12 O37 -","- C24 H96 Cu12 Mo32 N48 O148 -","4","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0426","0.037","","","0.1024","0.1054","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220355","8.7273","0.0009","12.8497","0.0009","12.8591","0.001","86.154","0.001","75.879","0.001","75.844","0.001","1356","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cu3 N12 O18 V5 -","- C6 H14 Cu3 N12 O18 V5 -","- C12 H28 Cu6 N24 O36 V10 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0488","0.0354","","","0.0901","0.1014","","","","","","1.062","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220356","14.7921","0.0002","15.0566","0.0002","21.4174","0.0003","90","","99.831","0.001","90","","4700.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H37 Mg3 N2 O16 -","- C51 H37 Mg3 N2 O16 -","- C204 H148 Mg12 N8 O64 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Du, Cheng-Feng; Feng, Mei-Ling; Xie, Zai-Lai; Huang, Xiao-Ying","An ionothermally synthesized Mg-based coordination polymer as a precursor for preparing porous carbons","CrystEngComm","2015","17","23","4288","","10.1039/C5CE00591D","","","0.71073","MoKα","","0.0988","0.086","","","0.2218","0.2274","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220357","4.8536","0.0011","7.8906","0.0017","8.8251","0.0019","78.1348","0.0027","86.3966","0.0028","75.122","0.0028","319.65","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","1","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0282","0.0279","","","0.0668","0.067","","","","","","1.091","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220358","11.6947","0.0009","17.3278","0.0014","9.1324","0.0007","90","","98.167","0.001","90","","1831.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0476","0.0418","","","0.1204","0.1242","","","","","","1.132","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220359","11.7013","0.0018","17.518","0.003","9.1703","0.0014","90","","98.006","0.002","90","","1861.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.031","0.025","","","0.0608","0.0657","","","","","","1.033","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220360","9.358","0.004","10.882","0.005","10.968","0.004","116.299","0.006","96.468","0.006","91.599","0.006","991.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2c","","","- C13 H16 Ag F6 N2 O5 P Pd -","- C13 H16 Ag F6 N2 O5 P Pd -","- C26 H32 Ag2 F12 N4 O10 P2 Pd2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0654","0.0592","","","0.1688","0.1765","","","","","","1.091","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220361","9.9183","0.0013","10.7825","0.0014","11.6604","0.0015","65.896","0.002","71.7491","0.0019","88.957","0.002","1072.3","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6","","","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C28 H28 Ag2 Cl4 F6 N4 O14 Pd2 S2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0648","0.0374","","","0.072","0.0838","","","","","","0.992","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7220362","4.6283","0.0008","25.815","0.004","7.8121","0.0013","90","","105.265","0.002","90","","900.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C12 H12 Ag2 N4 O10 Pd -","- C12 H12 Ag2 N4 O10 Pd -","- C24 H24 Ag4 N8 O20 Pd2 -","2","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0197","0.018","","","0.0432","0.044","","","","","","1.071","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220363","11.964","0.0016","17.688","0.002","9.108","0.0011","90","","96.437","0.003","90","","1915.3","0.4","320","2","320","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0368","0.0322","","","0.1187","0.1291","","","","","","1","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220364","11.915","0.0017","17.722","0.003","9.1692","0.0013","90","","96.44","0.002","90","","1923.9","0.5","320","2","320","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0387","0.0359","","","0.1123","0.1194","","","","","","0.986","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220365","11.684","0.0011","17.2956","0.0016","9.1223","0.0009","90","","98.158","0.002","90","","1824.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C52 H64 Ag4 B2 Cl2 F8 N8 O28 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0519","0.0412","","","0.0992","0.1063","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220366","25.245","0.003","9.6639","0.001","20.026","0.002","90","","128.93","0.001","90","","3800.6","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 Nd2 O32 S Zn4 -","- C20 H4 N8 Nd2 O32 S Zn4 -","- C80 H16 N32 Nd8 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0326","0.0287","","","0.0768","0.0791","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220367","25.1944","0.0017","9.6262","0.0006","19.9847","0.0012","90","","128.905","0.001","90","","3771.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 O32 S Sm2 Zn4 -","- C20 H4 N8 O32 S Sm2 Zn4 -","- C80 H16 N32 O128 S4 Sm8 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.03","0.0265","","","0.0677","0.0693","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220368","25.1496","0.0013","9.6309","0.0005","20.0039","0.0011","90","","128.937","0.001","90","","3768.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Eu2 N8 O32 S Zn4 -","- C20 H4 Eu2 N8 O32 S Zn4 -","- C80 H16 Eu8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0249","0.0222","","","0.0585","0.0596","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220369","25.1442","0.0019","9.6068","0.0007","19.9794","0.0014","90","","128.933","0.002","90","","3754.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Gd2 N8 O32 S Zn4 -","- C20 H4 Gd2 N8 O32 S Zn4 -","- C80 H16 Gd8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0263","0.0235","","","0.0619","0.0632","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220376","16.527","0.011","20.962","0.014","16.969","0.012","90","","106.983","0.01","90","","5622","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C171 H186 Cl14 Cu4 N64 O30 -","4","1","","Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin","Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework","CrystEngComm","2015","17","22","4102","","10.1039/C5CE00547G","","","0.71073","MoKα","","0.1348","0.0932","","","0.2646","0.302","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220378","22.121","0.002","17.3201","0.0005","16.1353","0.0015","90","","135.236","0.018","90","","4353.3","1.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C84 H80 Mn5 N20 O17 -","- C84 H80 Mn5 N20 O17 -","- C168 H160 Mn10 N40 O34 -","2","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0822","0.066","","","0.1791","0.1894","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7220382","9.9533","0.0006","14.2851","0.0006","15.24","0.001","93.498","0.004","90.926","0.005","103.226","0.004","2104.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 N2 P2 S2 -","- C46 H38 Ag2 N2 P2 S2 -","- C92 H76 Ag4 N4 P4 S4 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0991","0.0796","","","0.2154","0.2533","","","","","","1.01","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220383","14.6363","0.0006","16.8676","0.0005","19.0727","0.001","97.323","0.003","112.344","0.004","94.429","0.003","4278.9","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H79 Ag3 N3 O2 P4 Se3 -","- C88 H78 Ag3 N3 O2 P4 Se3 -","- C176 H156 Ag6 N6 O4 P8 Se6 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0995","0.0691","","","0.1868","0.2144","","","","","","0.99","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220384","12.2175","0.001","13.7065","0.001","17.1985","0.0015","87.407","0.007","86.817","0.007","69.329","0.007","2689.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H57 Ag N O2 P3 Se -","- C61 H57 Ag N O2 P3 Se -","- C122 H114 Ag2 N2 O4 P6 Se2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1307","0.0802","","","0.2005","0.239","","","","","","1.003","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220385","11.4611","0.0006","12.624","0.0007","19.6133","0.0013","85.935","0.005","74.285","0.005","71.483","0.005","2589.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Ag N O P3 S -","- C60 H53 Ag N O P3 S -","- C120 H106 Ag2 N2 O2 P6 S2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1047","0.0844","","","0.2321","0.2586","","","","","","1.077","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220387","11.804","0.002","5.7178","0.0011","10.984","0.002","90","","115.84","0.03","90","","667.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H7 Cu N9 -","- C H7 Cu N9 -","- C4 H28 Cu4 N36 -","4","0.5","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0336","0.0318","","","0.0893","0.0901","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220388","13.3217","0.0002","11.7975","0.0002","23.3963","0.0005","90","","123.48","0.002","90","","3066.93","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H Cd2 N4 O9 -","- C20 H18 Cd2 N8 O13 -","- C80 H72 Cd8 N32 O52 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0423","0.0382","","","0.0838","0.0862","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220389","21.032","0.002","7.9734","0.0008","12.5404","0.0013","90","","110.192","0.001","90","","1973.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Cd N O7 -","- C6 H8 Cd N2 O7 -","- C48 H64 Cd8 N16 O56 -","8","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0223","0.0209","","","0.0534","0.0543","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220390","15.5653","0.0018","15.3856","0.0018","14.8364","0.0017","90","","109.725","0.001","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cd2 N7 O15 -","- C27 H29 Cd2 N7 O15 -","- C108 H116 Cd8 N28 O60 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0846","0.0664","","","0.1844","0.203","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220391","10.7212","0.0001","7.7259","0.0001","8.678","0.0001","90","","110.037","0.001","90","","675.298","0.014","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cd N O4 -","- C7 H3 Cd N O4 -","- C28 H12 Cd4 N4 O16 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0255","0.0235","","","0.0596","0.061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220392","9.1774","0.0008","16.6983","0.0015","14.3375","0.0011","90","","105.865","0.004","90","","2113.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine:acetone (1:1)","felodipine:acetone (1:1)","","- C21 H25 Cl2 N O5 -","- C21 H25 Cl2 N O5 -","- C84 H100 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0857","0.0929","","","","","","1.035","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220394","8.66","0.003","9.816","0.003","13.782","0.004","87.37","0.02","79.17","0.03","77.79","0.03","1124.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","felodipine:dimethylsulfoxide (1:1)","","","- C20 H25 Cl2 N O5 S -","- C20 H25 Cl2 N O5 S -","- C40 H50 Cl4 N2 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.1603","0.0841","","","0.1971","0.242","","","","","","1.044","","","","has coordinates,has disorder","138522","2020-10-21","18:00:00",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220397","21.412","0.005","7.5902","0.0015","18.474","0.004","90","","105.45","0.004","90","","2893.9","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O5 P -","- C12 H21 O5 P -","- C96 H168 O40 P8 -","8","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0329","0.0322","","","0.087","0.0876","","","","","","1.056","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220398","17.986","0.003","7.8722","0.0011","28.879","0.004","90","","92.107","0.003","90","","4086.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 O5 P -","- C11 H19 O5 P -","- C132 H228 O60 P12 -","12","3","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0632","0.0603","","","0.1618","0.1645","","","","","","1.06","","","","has coordinates,has disorder","138553","2020-10-21","18:00:00",""
"7220399","12.989","0.005","9.027","0.004","14.006","0.005","90","","111.738","0.005","90","","1525.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O4 P -","- C13 H24 N O4 P -","- C52 H96 N4 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0465","0.042","","","0.09","0.0928","","","","","","1.103","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220400","16.269","0.004","24.011","0.006","18.92","0.005","90","","112.875","0.004","90","","6810","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N2 O10 P2 -","- C32 H44 Cu N2 O10 P2 -","- C256 H352 Cu8 N16 O80 P16 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0872","0.0755","","","0.1572","0.1646","","","","","","1.161","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220401","16.398","0.006","23.992","0.008","18.942","0.007","90","","112.576","0.005","90","","6881","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O10 P2 Zn -","- C32 H44 N2 O10 P2 Zn -","- C256 H352 N16 O80 P16 Zn8 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.1115","0.1009","","","0.271","0.2885","","","","","","1.188","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","138554","2020-10-21","18:00:00",""
"7220408","10.078","0.002","42.812","0.009","7.2997","0.0016","90","","90","","90","","3149.5","1.1","100","2","100","2","","","","","","","","8","C 2 2 2","C 2 2","21","8","","","- C36 H68 Ag Cr2 F18 N8 O16 P3 -","- C36 H52 Ag Cr2 F18 N8 O16.024 P3 -","- C72 H104 Ag2 Cr4 F36 N16 O32.048 P6 -","2","0.25","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0743","0.0622","","","0.1747","0.188","","","","","","1.087","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220409","11.88","0.007","16.051","0.008","26.14","0.013","90","","90","","90","","4985","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 -","- C29 H24.5 Cl N2 O3 -","- C232 H196 Cl8 N16 O24 -","8","2","","Vivekanand, Thavaraj; Vinoth, Perumal; Agieshkumar, B.; Sampath, Natarajan; Sudalai, Arumugam; Menéndez, J. Carlos; Sridharan, Vellaisamy","Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation‒Michael addition‒cyclization sequence under catalyst- and solvent-free conditions","Green Chem.","2015","17","6","3415","","10.1039/C5GC00365B","","","0.71073","MoKα","","0.2031","0.0466","","","0.0971","0.1327","","","","","","0.869","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7220410","8.6065","0.0001","7.1858","0.0001","11.184","0.0002","90","","110.985","0.001","90","","645.794","0.017","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.0318","0.0308","","","0.0829","0.084","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220411","13.5271","0.0006","7.4112","0.0003","16.501","0.0008","90","","94.763","0.001","90","","1648.55","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-(3-ethyl-4-nitroisoxazol-5-yl)ethyl)-3-hydroxy-5-methoxyindolin-2-one","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.119","0.0601","","","0.1505","0.183","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220412","6.3186","0.0004","11.7574","0.0008","16.3886","0.0012","90","","95.537","0.007","90","","1211.83","0.14","294.68","0.1","294.68","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4-amino-3-methylisoxazol-5-yl)methyl)-3-hydroxyindolin-2-one","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.1323","0.0673","","","0.1278","0.1623","","","","","","1.041","","","","has coordinates","143712","2020-10-21","18:00:00",""
"7220413","8.1437","0.0016","11.826","0.002","12.4","0.003","73.31","0.03","88.33","0.03","79.7","0.03","1125.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N1,N1-dimethyl-N4,2-ditosylbenzene-1,4-diamine","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C44 H48 N4 O8 S4 -","2","1","","Khazalpour, Sadegh; Nematollahi, Davood","Electrochemical and chemical synthesis of different types of sulfonamide derivatives of N,N-dimethyl-1,4-benzenediamine using 4-nitroso-N,N-dimethylaniline","Green Chem.","2015","17","6","3508","","10.1039/C5GC00438A","","","0.71073","MoKα","","0.0698","0.0526","","","0.1283","0.1333","","","","","","0.816","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220414","9.441","0.005","10.287","0.005","13.246","0.005","100.627","0.005","94.498","0.005","108.144","0.005","1188.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C58 H48 N4 O10 -","2","1","","Sarkar, Piyali; Mukhopadhyay, Chhanda","Single step incorporation of carboxylic acid groups in the lower rim of calix[4]arenes: a recyclable catalyst towards assembly of diverse five ring fused acridines","Green Chem.","2015","17","6","3452","","10.1039/C5GC00156K","","","0.71073","MoKα","","0.0525","0.0473","","","0.1212","0.1281","","","","","","1.03","","","","has coordinates","143715","2020-10-21","18:00:00",""
"7220415","4.9579","0.001","6.4613","0.0013","10.181","0.002","90","","92.28","0.03","90","","325.88","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C8 H8 N16 -","2","0.5","","Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y.","A charge density study of π-delocalization and intermolecular interactions.","Physical chemistry chemical physics : PCCP","2015","17","21","14177","14184","10.1039/c5cp01575h","","","0.71073","MoKα","","0.0333","0.0283","","","0.0891","0.0941","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220416","3.8538","0.0009","10.179","0.003","13","0.003","97.18","0.05","96.03","0.05","100.6","0.05","493","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","diethyl 4,4'-(octa-1,3,5,7-tetrayne-1,8-diyl)dibenzoate","","- C26 H18 O4 -","- C26 H18 O4 -","- C26 H18 O4 -","1","0.5","","Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir","Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.","Physical chemistry chemical physics : PCCP","2015","17","20","13680","13688","10.1039/c5cp01661d","","","0.71073","MoKα","","0.0485","0.0375","","","0.0935","0.0994","","","","","","1.055","","","","has coordinates","138877","2020-10-21","18:00:00",""
"7220417","40.449","0.019","3.8627","0.001","11.605","0.003","90","","94.87","0.05","90","","1806.6","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","octa-1,3,5,7-tetrayne-1,8-diylbis(4,1-phenylene) diacetate","","- C24 H14 O4 -","- C24 H14 O4 -","- C96 H56 O16 -","4","0.5","","Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir","Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.","Physical chemistry chemical physics : PCCP","2015","17","20","13680","13688","10.1039/c5cp01661d","","","0.71073","MoKα","","0.0702","0.049","","","0.0984","0.108","","","","","","1.073","","","","has coordinates","138877","2020-10-21","18:00:00",""
"7220418","14.282","0.004","17.055","0.005","17.128","0.005","60.5","0.008","82.665","0.009","89.096","0.009","3596.1","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TEMPO bistriflimide","2,2,6,6-tetramethylpiperidin-1-yl-oxonium bis(trifluoromethanesulfonyl)amide","","- C11 H18 F6 N2 O5 S2 -","- C11 H18 F6 N2 O5 S2 -","- C88 H144 F48 N16 O40 S16 -","8","4","","Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P.","Electrical conductivity in two mixed-valence liquids.","Physical chemistry chemical physics : PCCP","2015","17","21","14107","14114","10.1039/c5cp01172h","","","0.71073","MoKα","","0.1101","0.0497","","","0.1025","0.1275","","","","","","0.965","","","","has coordinates","138879","2020-10-21","18:00:00",""
"7220419","9.1087","0.0018","14.849","0.003","10.894","0.002","90","","105.38","0.03","90","","1420.7","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O5 Zn -","- C15 H12 N O5 Zn -","- C60 H48 N4 O20 Zn4 -","4","1","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.0504","0.0383","","","0.0925","0.1019","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220420","14.093","0.003","26.67","0.005","28.668","0.006","90","","90","","90","","10775","4","223","2","223","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H18 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C384 H256 N32 O64 Zn16 -","16","0.5","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.0829","0.0656","","","0.1884","0.2016","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220421","5.8174","0.0012","23.023","0.005","20.386","0.004","90","","90","","90","","2730.4","1","223","2","223","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C23 H22 N2 O6 Zn -","- C23 H22 N2 O6 Zn -","- C92 H88 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.0923","0.0722","","","0.1749","0.1865","","","","","","1.166","","","","has coordinates","136005","2020-10-21","18:00:00",""
"7220422","29.425","0.006","7.7142","0.0015","16.062","0.003","90","","106.04","0.03","90","","3504","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O11 Zn2 -","- C30 H28 N4 O11 Zn2 -","- C120 H112 N16 O44 Zn8 -","4","0.5","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.0748","0.0576","","","0.1672","0.1836","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220423","9.0776","0.0018","13.726","0.003","18.827","0.005","90","","110.96","0.03","90","","2190.6","1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Liu, Dong; Ge, Yu; Li, Ni-Ya; Ma, Wei; Tang, Xiaoyan","Coordination assemblies of Zn(NO3)2 with 4-pyr-poly-2-ene and polycarboxylates: structural diversification and photoluminescence properties","RSC Adv.","2015","","","","","10.1039/C5RA07371E","","","0.71073","MoKα","","0.042","0.0305","","","0.0673","0.0727","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220424","5.8796","0.0012","8.9227","0.0018","18.378","0.004","90","","98.193","0.003","90","","954.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Liu, Ning; Shu, Yuan-jie; Li, Hui; Zhai, Lian-Jie; Yanan, Li; Wang, Bozhou","Synthesis, Characterization and Properties of Heat-resistant Explosive Materials: Polynitroaromatic Substituted Difurazano[3,4-b:3’4’-e]pyrazines","RSC Adv.","2015","","","","","10.1039/C5RA07105D","","","0.71073","MoKα","","0.0347","0.0314","","","0.0786","0.081","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220425","28.967","0.006","8.053","0.0016","15.285","0.003","90","","114.27","0.03","90","","3250.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 N2 O4 Zn -","- C20 H12 N2 O4 Zn -","- C160 H96 N16 O32 Zn8 -","8","1","","Gao, Song; Fan, Ruiqing; Wang, Xinming; Qiang, Liangsheng; Wei, Liguo; Wang, Ping; Yang, Yulin; Wang, Yulei; Luan, Tianzhu","Multifunctional Zn(II)/Cd(II) Metal Complexes for Tunable Luminescence Properties and High Efficient Dye-Sensitized Solar Cells","RSC Adv.","2015","","","","","10.1039/C5RA07160G","","","0.71073","MoKα","","0.0782","0.0469","","","0.0966","0.1082","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220426","28.893","0.006","8.2386","0.0016","15.421","0.003","90","","113.1","0.03","90","","3376.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N2 O4 -","- C20 H12 Cd N2 O4 -","- C160 H96 Cd8 N16 O32 -","8","1","","Gao, Song; Fan, Ruiqing; Wang, Xinming; Qiang, Liangsheng; Wei, Liguo; Wang, Ping; Yang, Yulin; Wang, Yulei; Luan, Tianzhu","Multifunctional Zn(II)/Cd(II) Metal Complexes for Tunable Luminescence Properties and High Efficient Dye-Sensitized Solar Cells","RSC Adv.","2015","","","","","10.1039/C5RA07160G","","","0.71073","MoKα","","0.0375","0.0305","","","0.0706","0.0735","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220427","10.2935","0.0007","10.5264","0.0009","10.7561","0.0009","84.384","0.007","66.574","0.007","76.989","0.006","1041.9","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Cl2 N O S2 -","- C23 H15 Cl2 N O S2 -","- C46 H30 Cl4 N2 O2 S4 -","2","1","","Khan, Abu Taleb; Mahato, Karuna; Ray Bagdi, Prasanta","Yb(OTf)3 catalysed regioselective synthesis of unusual di- and tri- substituted 3,4-dihydrothiochromeno[3,2-e][1,3]thiazin-5(2H)-one derivatives through a pseudo four-component hetero-Diels-Alder Reaction","RSC Adv.","2015","","","","","10.1039/C5RA06905J","","","0.71073","MoKα","","0.0816","0.0479","","","0.1007","0.1253","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220428","11.6518","0.0003","15.2049","0.0004","14.9453","0.0004","90","","101.788","0.002","90","","2591.93","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O S2 -","- C32 H27 N O S2 -","- C128 H108 N4 O4 S8 -","4","1","","Khan, Abu Taleb; Mahato, Karuna; Ray Bagdi, Prasanta","Yb(OTf)3 catalysed regioselective synthesis of unusual di- and tri- substituted 3,4-dihydrothiochromeno[3,2-e][1,3]thiazin-5(2H)-one derivatives through a pseudo four-component hetero-Diels-Alder Reaction","RSC Adv.","2015","","","","","10.1039/C5RA06905J","","","0.71073","MoKα","","0.0505","0.0394","","","0.1335","0.1438","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220429","6.851","0.0005","7.736","0.0006","19.315","0.0014","90","","95.218","0.002","90","","1019.44","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","imidazo[4,5-e]thiazolo[3,2-b][1,2,4]triazine-2,7(1H,6H)-dione","","- C8 H11 N5 O2 S -","- C8 H11 N5 O2 S -","- C32 H44 N20 O8 S4 -","4","1","","Gazieva, Galina A.; Izmest’ev, Alexei N.; Nelyubina, Yulia V.; Kolotyrkina, Natalya G.; Zanin, Igor E.; Kravchenko, Angelina N.","Synthesis of imidazo[4,5-e]thiazolo[2,3-c]-1,2,4-triazine-2,8-diones via a rearrangement of imidazo[4,5-e]thiazolo[3,2-b]-1,2,4-triazine-2,7-diones in the reaction with isatins","RSC Adv.","2015","","","","","10.1039/C5RA07669B","","","0.71073","MoKα","","0.0499","0.0367","","","0.0903","0.0975","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220430","26.71","0.004","7.5095","0.001","14.0757","0.0019","90","","96.942","0.002","90","","2802.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","imidazo[4,5-e]thiazolo[2,3-c][1,2,4]triazine-2,8(3H,7H)-dione","","- C11 H19 N5 O3 S -","- C11 H19 N5 O3 S -","- C88 H152 N40 O24 S8 -","8","1","","Gazieva, Galina A.; Izmest’ev, Alexei N.; Nelyubina, Yulia V.; Kolotyrkina, Natalya G.; Zanin, Igor E.; Kravchenko, Angelina N.","Synthesis of imidazo[4,5-e]thiazolo[2,3-c]-1,2,4-triazine-2,8-diones via a rearrangement of imidazo[4,5-e]thiazolo[3,2-b]-1,2,4-triazine-2,7-diones in the reaction with isatins","RSC Adv.","2015","","","","","10.1039/C5RA07669B","","","0.71073","MoKα","","0.0426","0.0381","","","0.1103","0.1166","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220431","7.967","0.0016","27.574","0.006","19.131","0.004","90","","90.23","0.03","90","","4202.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4 in the relevant manuscript","skd175","","- C27 H33 Cl Fe3 N3 O17 -","- C27 H33 Cl Fe3 N3 O17 -","- C108 H132 Cl4 Fe12 N12 O68 -","4","1","","Sabbani, Supriya; Das, Samar K.","Reversible solid to solid transformation in a crystalline state gas‒solid reaction under ambient conditions: Fe‒N(pyridine) bond formation at the expense of Fe‒OH2bond breaking and vice versa","CrystEngComm","2015","17","46","8850","","10.1039/C5CE00488H","","","0.71073","MoKα","","0.2802","0.2369","","","0.5238","0.5415","","","","","","1.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220432","8.6812","0.0009","4.9972","0.0006","17.5379","0.0018","90","","97.339","0.006","90","","754.59","0.14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,13-Dichloropentacene","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Hatcher, Peggy V.; Reibenspies, Joseph H.; Haddon, Robert C.; Li, Dawen; Lopez, Nereo; Chi, Xiaoliu","A polymorph of the 6,13-dichloropentacene organic semiconductor: crystal structure, semiconductor measurements and band structure calculations","CrystEngComm","2015","17","22","4172","","10.1039/C5CE00300H","","","1.54178","CuKα","","0.0631","0.061","","","0.1502","0.1525","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220438","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H48 O5 S4 -","- C84 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0962","0.0864","","","0.2301","0.2557","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220439","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H48 O5 S4 -","- C82 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1001","0.0955","","","0.2366","0.2559","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220440","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43 H44 O5 S4 -","- C86 H88 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1063","0.098","","","0.242","0.263","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220441","23.3664","0.0003","23.3664","0.0003","23.3664","0.0003","90","","90","","90","","12757.8","0.3","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 O14 P2 Zn3 -","- C78 H48 O14 P2 Zn3 -","- C624 H384 O112 P16 Zn24 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0867","0.0703","","","0.2264","0.2576","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220442","23.7697","0.0004","23.7697","0.0004","23.7697","0.0004","90","","90","","90","","13429.8","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Cd3 O14 P2 -","- C78 H48 Cd3 O14 P2 -","- C624 H384 Cd24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1314","0.0967","","","0.2967","0.338","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220443","23.3991","0.0004","23.3991","0.0004","23.3991","0.0004","90","","90","","90","","12811.4","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Co3 O14 P2 -","- C78 H48 Co3 O14 P2 -","- C624 H384 Co24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1747","0.0892","","","0.27","0.325","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220444","23.5428","0.0002","23.5428","0.0002","23.5428","0.0002","90","","90","","90","","13048.9","0.19","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C39 H24 In O7 P -","- C39 H24 In O7 P -","- C624 H384 In16 O112 P16 -","16","0.333333","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0668","0.0578","","","0.1555","0.1702","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220445","10.2244","0.0002","10.645","0.0002","10.7022","0.0002","117.291","0.001","104.012","0.001","102.864","0.001","926.11","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N3 O3 S2 -","- C20 H15 N3 O3 S2 -","- C40 H30 N6 O6 S4 -","2","1","","Dalal, Dipak Sharadrao; Wagh, Yogesh Baburao; Kuwar, Anil; Sahoo, Suban K.; Gallucci, Judith C.","Highly selective fluorometric sensing of Cu2+ and Hg2+ by using a benzothiazole based receptor in semi-aqueous medium and molecular docking studies","RSC Adv.","2015","","","","","10.1039/C5RA03146J","","x-ray","0.71073","MoKα","","0.0558","0.0352","","","0.0801","0.0892","","","","","","1.038","","","","has coordinates","136083","2020-10-21","18:00:00",""
"7220446","25.852","0.005","27.121","0.005","24.729","0.005","90","","109.49","0.03","90","","16345","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H98 As Cu5 N20 Nb9 O53 V7 -","- C20 H80 As Cu5 N20 Nb9 O52.75 V7 -","- C160 H640 As8 Cu40 N160 Nb72 O422 V56 -","8","1","","Lan, Qing; Zhang, Zhi-Ming; Li, Yang-Guang; Wang, Enbo","Extended Structural Materials Composed of Transition-Metal-Substituted Arsenicniobates and Their Photocatalytic Activity","RSC Adv.","2015","","","","","10.1039/C5RA08262E","","","0.71073","MoKα","","0.1058","0.0707","","","0.1748","0.1932","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220447","12.907","0.003","14.153","0.003","14.277","0.003","89.48","0.03","80.34","0.03","63.81","0.03","2300.9","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H104 As Cu5 N20 Nb8 O56 V8 -","- C20 H80 As Cu5 N20 Nb8 O56 V8 -","- C20 H80 As Cu5 N20 Nb8 O56 V8 -","1","0.5","","Lan, Qing; Zhang, Zhi-Ming; Li, Yang-Guang; Wang, Enbo","Extended Structural Materials Composed of Transition-Metal-Substituted Arsenicniobates and Their Photocatalytic Activity","RSC Adv.","2015","","","","","10.1039/C5RA08262E","","","0.71073","MoKα","","0.1012","0.0826","","","0.223","0.2378","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220448","10.264","0.001","10.674","0.001","17.308","0.001","92.084","0.001","103.251","0.001","103.06","0.001","1790.2","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-cobalt(ii)-di-tungsten(v))","","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0246","0.0229","","","0.0569","0.0581","","","","","","1.089","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220449","10.067","0.001","10.714","0.001","17.449","0.0003","93.286","0.001","104.191","0.001","102.986","0.001","1765.3","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-tungsten(v))","","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0358","0.0292","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220450","10.056","0.0003","10.697","0.0003","17.41","0.0005","93.364","0.002","104.168","0.002","102.945","0.002","1756.85","0.09","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))","","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","","0.71073","MoKα","","0.0432","0.032","","","0.0746","0.0801","","","","27.107","27.107","1.046","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220453","17.737","0.002","18.295","0.003","19.069","0.003","90","","92.168","0.002","90","","6183.4","1.6","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2ybc","14","","","","- C77 H67 Cl2 N5 Zn -","- C77 H67 Cl2 N5 Zn -","- C308 H268 Cl8 N20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.0397","0.0331","","","0.0872","0.0916","","","","","","1.038","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220454","19.126","0.002","17.2247","0.0018","19.215","0.002","90","","93.303","0.002","90","","6319.7","1.1","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C71 H76 N4 O5 Zn -","- C71 H76 N4 O5 Zn -","- C284 H304 N16 O20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.1637","0.1176","","","0.2997","0.3252","","","","","","1.137","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220455","16.724","0.013","16.971","0.014","20.045","0.016","107.054","0.011","107.58","0.01","105.011","0.012","4793","7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H21 F12 N5 Zn -","- C53 H21 F12 N5 Zn -","- C212 H84 F48 N20 Zn4 -","4","2","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.189","0.0835","","","0.1802","0.2096","","","","","","0.838","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220456","5.7913","0.0003","40.564","0.002","7.9028","0.0004","90","","90","","90","","1856.51","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cd O8 -","- C20 H16 Cd O8 -","- C80 H64 Cd4 O32 -","4","0.5","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.0361","0.0326","","","0.1243","0.1329","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220457","5.6453","0.0013","40.2","0.009","7.6789","0.0019","90","","90","","90","","1742.7","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Co O8 -","- C20 H16 Co O8 -","- C80 H64 Co4 O32 -","4","0.5","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.059","0.038","","","0.0813","0.0868","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220458","10.6053","0.0008","11.1058","0.0013","12.1321","0.0017","114.559","0.013","111.07","0.01","96.515","0.008","1153.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Cu N O6 -","- C26 H17 Cu N O6 -","- C52 H34 Cu2 N2 O12 -","2","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","1.54184","CuKα","","0.0741","0.05","","","0.1089","0.1237","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220459","14.434","0.002","19.805","0.004","10.6271","0.0013","90","","130.336","0.009","90","","2315.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H8.5 Cu0.5 N0.5 O3 -","- C13 H8.5 Cu0.5 N0.5 O3 -","- C104 H68 Cu4 N4 O24 -","8","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","1.54184","CuKα","","0.1532","0.0844","","","0.1984","0.2529","","","","","","1.008","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220460","6.3847","0.0012","21.746","0.004","10.1336","0.0019","90","","105.085","0.004","90","","1358.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H22 Mn N2 O7 -","- C32 H22 Mn N2 O7 -","- C64 H44 Mn2 N4 O14 -","2","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.0594","0.0509","","","0.1385","0.1445","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220461","5.8367","0.00016","22.119","0.0006","20.4593","0.0005","90","","90","","90","","2641.34","0.12","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H11 N Ni0.5 O3.5 -","- C16 H11 N Ni0.5 O3.5 -","- C128 H88 N8 Ni4 O28 -","8","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","1.54184","CuKα","","0.0444","0.0386","","","0.1057","0.1115","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220462","36.745","0.003","5.5792","0.0008","8.6871","0.0008","90","","92.931","0.008","90","","1778.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H0 O12 Zn -","- C20 H14 O8 Zn -","- C80 H56 O32 Zn4 -","4","1","","Bing, Yingying; Yu, Meihui; ming, hu","Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand","RSC Adv.","2015","","","","","10.1039/C5RA06012E","","","0.71073","MoKα","","0.1431","0.1028","","","0.2618","0.2944","","","","","","0.956","","","","has coordinates","136509","2020-10-21","18:00:00",""
"7220463","25.335","0.003","12.8383","0.0013","24.821","0.003","90","","109.755","0.004","90","","7598.1","1.5","123","","123","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 F6 Ir N6 O4 P S2 -","- C36 H28 F6 Ir N6 O4 P S2 -","- C288 H224 F48 Ir8 N48 O32 P8 S16 -","8","1","","Ertl, Cathrin D.; Cerdá, Jesús; Junquera-Hernández, José M.; Pertegás, Antonio; Bolink, Henk J.; Constable, Edwin C.; Neuburger, Markus; Ortí, Enrique; Housecroft, Catherine E.","Colour tuning by the ring roundabout: [Ir(C^N)2(N^N)]+emitters with sulfonyl-substituted cyclometallating ligands","RSC Adv.","2015","5","53","42815","","10.1039/C5RA07940C","","","1.54178","CuKα","","0.0251","0.0239","","0.0282","0.0257","0.0248","","","","","","1.0886","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220464","8.3688","0.0006","16.456","0.0011","11.4722","0.0006","90","","93.247","0.006","90","","1577.38","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O -","- C19 H16 N4 O -","- C76 H64 N16 O4 -","4","1","","Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH","Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide","RSC Adv.","2015","","","","","10.1039/C4RA11929K","","","0.71073","MoKα","","0.0827","0.0473","","","0.0995","0.1192","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220465","10.442","0.005","11.517","0.005","15.425","0.005","100.627","0.005","102.962","0.005","99.075","0.005","1737.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl0 N8 O4 Zn -","- C38 H30 N8 O4 Zn -","- C76 H60 N16 O8 Zn2 -","2","1","","Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH","Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide","RSC Adv.","2015","","","","","10.1039/C4RA11929K","","","0.71073","MoKα","","0.1451","0.0544","","","0.068","0.0854","","","","","","0.862","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220466","10.5214","0.0006","11.2399","0.0008","16.4854","0.0011","79.27","0.006","85.438","0.005","83.472","0.005","1899.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl0 N8 Ni O3 -","- C40 H36 N8 Ni O3 -","- C80 H72 N16 Ni2 O6 -","2","1","","Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH","Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide","RSC Adv.","2015","","","","","10.1039/C4RA11929K","","","0.71073","MoKα","","0.1529","0.0858","","","0.2099","0.2649","","","","","","1.025","","","","has coordinates","136511","2020-10-21","18:00:00",""
"7220467","10.7689","0.0006","11.3142","0.0008","15.4981","0.0011","82.46","0.006","85.509","0.005","67.3","0.006","1726.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Mn N8 O2 -","- C38 H30 Mn N8 O2 -","- C76 H60 Mn2 N16 O4 -","2","1","","Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH","Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide","RSC Adv.","2015","","","","","10.1039/C4RA11929K","","","0.71073","MoKα","","0.1444","0.0769","","","0.2027","0.2572","","","","","","1.038","","","","has coordinates","136511","2020-10-21","18:00:00",""
"7220468","13.2388","0.0007","10.7929","0.0011","24.2294","0.0014","90","","103.586","0.005","90","","3365.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cu N8 O2 -","- C38 H30 Cu N8 O2 -","- C152 H120 Cu4 N32 O8 -","4","1","","Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH","Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide","RSC Adv.","2015","","","","","10.1039/C4RA11929K","","","0.71073","MoKα","","0.0938","0.0602","","","0.1612","0.1853","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220469","11.493","0.0016","13.976","0.002","11.1209","0.0015","90","","90.011","0.003","90","","1786.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N6 O10 Sn2 -","- C30 H38 N6 O10 Sn2 -","- C60 H76 N12 O20 Sn4 -","2","0.5","","Shang, Xianmei; Zhao, Bin; Xiang, Guangya; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Dimeric diorganotin(IV) complexes with arylhydrazones of β-diketones: synthesis, structures, cytotoxicity and apoptosis properties","RSC Adv.","2015","","","","","10.1039/C5RA06658A","","","0.71073","MoKα","","0.0514","0.0359","","","0.0815","0.0894","","","","","","1.025","","","","has coordinates,has disorder","136591","2020-10-21","18:00:00",""
"7220470","9.931","0.0008","11.1041","0.0008","11.1694","0.0009","98.915","0.001","115.946","0.002","92.702","0.001","1084.98","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N6 O10 Sn2 -","- C38 H54 N6 O10 Sn2 -","- C38 H54 N6 O10 Sn2 -","1","0.5","","Shang, Xianmei; Zhao, Bin; Xiang, Guangya; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Dimeric diorganotin(IV) complexes with arylhydrazones of β-diketones: synthesis, structures, cytotoxicity and apoptosis properties","RSC Adv.","2015","","","","","10.1039/C5RA06658A","","","0.71073","MoKα","","0.0301","0.0291","","","0.0725","0.0733","","","","","","1.114","","","","has coordinates,has disorder","136591","2020-10-21","18:00:00",""
"7220471","14.1926","0.0003","7.2123","0.0002","34.1402","0.0008","90","","98.9","0.002","90","","3452.56","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O3 -","- C20 H16 N4 O3 -","- C160 H128 N32 O24 -","8","2","","Lu, Shi-Han; Liu, Po-Lin; Wong, Fung Fuh","Vilsmeier reagent mediated synthesis of 6-[(formyloxy)methyl]-pyrazolopyrimidines via one-pot multiple tandem reaction","RSC Adv.","2015","","","","","10.1039/C5RA07707A","","","1.54178","CuKα","","0.0978","0.0586","","","0.1431","0.1682","","","","","","1.039","","","","has coordinates,has disorder","136592","2020-10-21","18:00:00",""
"7220472","7.3423","0.0003","8.8649","0.0004","11.4482","0.0005","89.44","0.004","80.271","0.003","67.287","0.003","676.22","0.05","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu N5 O6 -","- C10 H11 Cu N5 O6 -","- C20 H22 Cu2 N10 O12 -","2","1","","Pal, Pampi; Konar, Saugata; El Fallah, Mohamed Salah; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2'-pyridyl)-pyrazole-Cu(II)","RSC Advances","2015","5","56","45082","45091","10.1039/c5ra04241k","","","1.54178","CuKα","","0.0536","0.0477","","","0.1222","0.126","","","","","","1.054","","","","has coordinates","218753","2020-10-21","18:00:00",""
"7220473","20.402","0.005","7.233","0.005","18.215","0.005","90","","112.363","0.005","90","","2485.8","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cu2 N6 O9 -","- C24 H24 Cu2 N6 O9 -","- C96 H96 Cu8 N24 O36 -","4","0.5","","Pal, Pampi; Konar, Saugata; El Fallah, Mohamed Salah; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2'-pyridyl)-pyrazole-Cu(II)","RSC Advances","2015","5","56","45082","45091","10.1039/c5ra04241k","","","0.71069","MoKα","","0.0406","0.0361","","","0.0919","0.0941","","","","","","1.052","","","","has coordinates","218753","2020-10-21","18:00:00",""
"7220474","28.406","0.002","15.1613","0.0011","19.2086","0.0016","90","","99.473","0.009","90","","8159.8","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Br8 Fe2 N8 O -","- C88 H48 Br8 Fe2 N8 O -","- C352 H192 Br32 Fe8 N32 O4 -","4","0.5","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","0.71073","MoKα","","0.1736","0.0808","","","0.1855","0.2229","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220475","14.2862","0.0011","15.307","0.003","19.102","0.003","90","","94.637","0.008","90","","4163.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H29.5 Br4 Cl Fe N4.75 O0.75 -","- C44 H24 Br4 Cl Fe N4 -","- C176 H96 Br16 Cl4 Fe4 N16 -","4","1","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","1.54178","CuKα","","0.024","0.0221","","","0.0541","0.0556","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220476","6.7737","0.0003","9.6448","0.0003","15.8855","0.0006","97.023","0.002","97.739","0.002","107.511","0.002","966.05","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl F N4 O2 -","- C21 H22 Cl F N4 O2 -","- C42 H44 Cl2 F2 N8 O4 -","2","1","","inam, afreen; Van Zyl, Robyn L.; van Vuurenb, Natasha J.; Chen, Chien-Teng; Avecilla, Fernando; Agarwal, Subhash M.; Azam, Amir","Chloroquinoline-acetamide hybrids: A promising series of potential antiprotozoal agent","RSC Adv.","2015","","","","","10.1039/C5RA05472A","","","0.71073","MoKα","","0.0708","0.0474","","","0.1162","0.1267","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220477","18.2066","0.001","11.0845","0.0006","19.4301","0.001","90","","90","","90","","3921.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 O -","- C22 H23 Cl N4 O -","- C176 H184 Cl8 N32 O8 -","8","1","","inam, afreen; Van Zyl, Robyn L.; van Vuurenb, Natasha J.; Chen, Chien-Teng; Avecilla, Fernando; Agarwal, Subhash M.; Azam, Amir","Chloroquinoline-acetamide hybrids: A promising series of potential antiprotozoal agent","RSC Adv.","2015","","","","","10.1039/C5RA05472A","","","0.71073","MoKα","","0.0504","0.035","","","0.0854","0.0942","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220478","9.0751","0.0004","9.2785","0.0004","14.1227","0.0008","105.382","0.003","92.801","0.003","119.213","0.002","978.02","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cl N4 O -","- C22 H23 Cl N4 O -","- C44 H46 Cl2 N8 O2 -","2","1","","inam, afreen; Van Zyl, Robyn L.; van Vuurenb, Natasha J.; Chen, Chien-Teng; Avecilla, Fernando; Agarwal, Subhash M.; Azam, Amir","Chloroquinoline-acetamide hybrids: A promising series of potential antiprotozoal agent","RSC Adv.","2015","","","","","10.1039/C5RA05472A","","","0.71073","MoKα","","0.048","0.0375","","","0.0953","0.1047","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220479","9.6408","0.0003","12.9637","0.0003","19.8442","0.0005","90","","98.158","0.001","90","","2455.04","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl3 N5 O -","- C25 H26 Cl3 N5 O -","- C100 H104 Cl12 N20 O4 -","4","1","","inam, afreen; Van Zyl, Robyn L.; van Vuurenb, Natasha J.; Chen, Chien-Teng; Avecilla, Fernando; Agarwal, Subhash M.; Azam, Amir","Chloroquinoline-acetamide hybrids: A promising series of potential antiprotozoal agent","RSC Adv.","2015","","","","","10.1039/C5RA05472A","","","0.71073","MoKα","","0.0404","0.0342","","","0.0914","0.0947","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220480","19.6845","0.0003","19.6845","0.0003","19.3124","0.0003","90","","90","","90","","7483.2","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H11 F6 N3 O5 -","- C17 H11 F6 N3 O5 -","- C272 H176 F96 N48 O80 -","16","1","","Bedekar, Ashutosh; Jain, Nilesh; Patel, Ravi","Modified Kagan’s Amide: Synthesis and Applications as Chiral Solvating Agent for Hydrogen-Bonding Based Chiral Discrimination in NMR","RSC Adv.","2015","","","","","10.1039/C5RA06959A","","","1.54184","CuKα","","0.0638","0.0546","","","0.1435","0.1495","","","","","","1.026","","","","has coordinates","136654","2020-10-21","18:00:00",""
"7220481","9.906","0.004","10.108","0.004","10.995","0.004","66.978","0.004","84.193","0.005","74.144","0.004","974.7","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","1","0.5","","Zhang, Yan-Qiu; Wang, Chongchen; Zhu, Tian; Wang, Peng; Gao, Shi-Jie","Ultra-high uptake and selective adsorption of organic dyes with a novel polyoxomolybdate-based organic-inorganic hybrid compound","RSC Adv.","2015","","","","","10.1039/C5RA07513K","","","0.71073","MoKα","","0.064","0.0419","","","0.1172","0.1392","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220482","8.66","0.012","15.52","0.02","25.74","0.04","100.726","0.019","96.95","0.02","93.252","0.019","3363","8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","TBBN","","","- C41 H44 B N3 -","- C41 H44 B N3 -","- C164 H176 B4 N12 -","4","2","","Xi, He; Liu, Yang; Yuan, Chunxue; Li, Yexin; Wang, Lei; Tao, Xutang; Ma, Xiaohua; Zhang, Chunfu; Hao, Yue","Through Space Charge-Transfer Emission in Lambda (Λ)-Shaped Triarylboranes and the Use in Fluorescent Sensing for Fluoride and Cyanide ions","RSC Adv.","2015","","","","","10.1039/C5RA07912H","","","0.71073","MoKα","","0.3912","0.0676","","","0.0787","0.1322","","","","","","0.872","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220483","7.7237","0.0005","10.2576","0.0006","13.6801","0.0008","78.32","0.002","84.144","0.002","76.52","0.002","1030.43","0.11","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O4 S -","- C20 H22 I N O4 S -","- C40 H44 I2 N2 O8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0729","0.0637","","","0.1517","0.1615","","","","","","0.9894","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220484","7.4692","0.0004","15.9898","0.0009","18.4114","0.0011","110.533","0.002","91.966","0.002","94.712","0.002","2047.5","0.2","","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.5 S -","- C20 H22 I N O3.5 S -","- C80 H88 I4 N4 O14 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0612","0.0582","","","0.1366","0.1421","","","","","","1.0103","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220485","7.484","0.005","10.197","0.007","14.512","0.01","94.449","0.01","103.752","0.011","105.623","0.01","1024","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.4 S -","- C20 H22 I N O3.4 S -","- C40 H44 I2 N2 O6.8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0407","0.0319","","","0.074","0.0783","","","","","","1.0314","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220486","7.808","0.004","10.354","0.006","13.78","0.007","93.69","0.02","103.61","0.02","105.59","0.02","1033.2","1","","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 I2 N O7 S2 -","- C40 H44 I2 N2 O7 S2 -","- C40 H44 I2 N2 O7 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","1.54178","CuKα","","0.1565","0.0871","","","0.1902","0.228","","","","","","1.1164","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220487","7.564","0.004","10.338","0.005","14.496","0.007","93.619","0.005","104.077","0.005","105.686","0.005","1048.4","0.9","","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 I N O3.5 S -","- C20 H16 I N O3.5 S -","- C40 H32 I2 N2 O7 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0797","0.0696","","","0.1629","0.1682","","","","","","1.0319","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220488","10.4883","0.0007","11.9211","0.0007","20.6101","0.0014","93.874","0.004","92.989","0.004","115.747","0.003","2306.2","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H35 I O4 S -","- C19 H35 I O4 S -","- C76 H140 I4 O16 S4 -","4","2","","Koh, Peng-Fei; Loh, Teck Peng","Synthesis of Biologically Active Natural Products, Aspergillides A and B, Entirely from Biomass Derived Platform Chemicals","Green Chem.","2015","","","","","10.1039/C5GC00900F","","","0.71073","MoKα","","0.1032","0.0584","","","0.1277","0.1466","","","","","","1.087","","","","has coordinates","136939","2020-10-21","18:00:00",""
"7220489","12.8325","0.0006","15.0886","0.0007","17.1355","0.0007","75.314","0.004","83.402","0.004","71.836","0.004","3047.2","0.3","150.03","0.16","150.03","0.16","","","","","","","","8","P -1","-P 1","2","","","","- C122 H90 B2 Br1.93 Cl2 Co2 F48 N6 -","- C122 H90 B2 Br1.93 Cl2 Co2 F48 N6 -","- C122 H90 B2 Br1.93 Cl2 Co2 F48 N6 -","1","0.5","","Mair, F. S.; Alnajrani, Mohammed Nasser","The behaviour of β-triketimine cobalt complexes in the polymerization of isoprene","RSC Adv.","2015","","","","","10.1039/C5RA06792H","","x-ray","0.71073","MoKα","","0.0868","0.0691","","","0.1811","0.1967","","","","","","1.008","","","","has coordinates,has disorder","136941","2020-10-21","18:00:00",""
"7220490","12.5422","0.0008","16.3657","0.001","17.6818","0.001","73.037","0.005","87.555","0.005","76.085","0.006","3368.1","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C134 H114 B2 Br2 Co2 F48 N6 O2 -","- C134 H114 B2 Br2 Co2 F48 N6 O2 -","- C134 H114 B2 Br2 Co2 F48 N6 O2 -","1","0.5","","Mair, F. S.; Alnajrani, Mohammed Nasser","The behaviour of β-triketimine cobalt complexes in the polymerization of isoprene","RSC Adv.","2015","","","","","10.1039/C5RA06792H","","x-ray","1.54184","CuKα","","0.0706","0.0587","","","0.147","0.1559","","","","","","1.026","","","","has coordinates,has disorder","136941","2020-10-21","18:00:00",""
"7220491","12.6292","0.0004","16.5399","0.0005","16.544","0.0006","77.217","0.003","76.631","0.003","85.363","0.003","3277.22","0.19","99.9","0.14","99.9","0.14","","","","","","","","9","P -1","-P 1","2","","","","- C132 H110 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C132 H110 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C132 H110 B2 Br2 Cl2 Co2 F48 N6 O2 -","1","0.5","","Mair, F. S.; Alnajrani, Mohammed Nasser","The behaviour of β-triketimine cobalt complexes in the polymerization of isoprene","RSC Adv.","2015","","","","","10.1039/C5RA06792H","","","0.71073","MoKα","","0.067","0.0518","","","0.1533","0.1671","","","","","","1.07","","","","has coordinates,has disorder","136941","2020-10-21","18:00:00",""
"7220492","12.3778","0.0006","16.0019","0.0007","17.1622","0.0008","77.298","0.004","83.896","0.004","78.943","0.004","3247.2","0.3","150.01","0.11","150.01","0.11","","","","","","","","9","P -1","-P 1","2","","","","- C122 H82 B2 Br2 Cl2 Co2 F56 N6 O2 -","- C122.52 H83.92 B2 Br2 Cl2 Co2 F56 N6 O2 -","- C122.52 H83.92 B2 Br2 Cl2 Co2 F56 N6 O2 -","1","0.5","","Mair, F. S.; Alnajrani, Mohammed Nasser","The behaviour of β-triketimine cobalt complexes in the polymerization of isoprene","RSC Adv.","2015","","","","","10.1039/C5RA06792H","","x-ray","0.71073","MoKα","","0.1702","0.0896","","","0.2221","0.2747","","","","","","1.026","","","","has coordinates,has disorder","136941","2020-10-21","18:00:00",""
"7220493","8.8035","0.0018","10.76","0.002","13.898","0.003","94.58","0.03","100.59","0.03","110.38","0.03","1198.2","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O3 -","- C30 H24 N2 O3 -","- C60 H48 N4 O6 -","2","1","","Liu, Yunyun; Zhang, Yi; Huang, Meiying; Wan, Jie-Ping","Step economical synthesis of o-aryl benzamides via C-H activation relayed by the in situ installation of directing group: a multicomponent method","RSC Adv.","2015","","","","","10.1039/C5RA09078D","","","0.71073","MoKα","","0.0647","0.0374","","","0.0882","0.1233","","","","","","1.158","","","","has coordinates","136942","2020-10-21","18:00:00",""
"7220494","10.651","0.0005","17.544","0.001","19.4237","0.0007","111.929","0.005","90.797","0.004","91.318","0.004","3365","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H84 N4 O16 -","- C76 H84 N4 O16 -","- C152 H168 N8 O32 -","2","1","","Agrawal, Nikita R.; Bahekar, Sandeep P.; Sarode, Prashant B.; Zade, Sanjio S.; Chandak, Hemant S.","L-Proline Nitrate: A Recyclable and Green Catalyst for the Synthesis of Highly Functionalized Piperidines","RSC Adv.","2015","","","","","10.1039/C5RA08022C","","x-ray","0.71073","MoKα","","0.0813","0.0579","","","0.1732","0.1855","","","","","","1.035","","","","has coordinates","136943","2020-10-21","18:00:00",""
"7220495","9.4866","0.0003","6.769","0.0002","15.3967","0.0005","90","","105.73","0.003","90","","951.67","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 K Li O11 -","- C16 H16 K Li O11 -","- C32 H32 K2 Li2 O22 -","2","1","","Meenakshisundaram, SP.; Manonmoni, J. Vijila; Ramasamy, G.; Amutha, M.; Prasad, A. Aditya","Synthesis, growth, structure and characterization of potassium lithium hydrogen phthalate mixed crystals","RSC Adv.","2015","","","","","10.1039/C5RA05634A","","","0.71073","MoKα","","0.0256","0.0246","","","0.0666","0.0676","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220496","6.09236","0.00014","12.7347","0.0003","30.1234","0.0008","90","","90","","90","","2337.11","0.1","110.01","0.16","110.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Wang, Qing; Ma, Xiangling; He, Jiawei; Li, Yuanzhi; Li, Hui","Insights into the fatty acid ester norethisterone enanthate binding to human albumin: fluorescence, circular dichroism, and docking investigations","RSC Adv.","2015","5","55","44696","","10.1039/C5RA06844D","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.1376","0.1404","","","","","","1.058","","","","has coordinates","136945","2020-10-21","18:00:00",""
"7220497","7.6164","0.0005","8.17","0.0008","12.1539","0.0012","92.548","0.008","103.893","0.008","108.383","0.008","690.75","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","oxazine","","","- C18 H12 F N O3 -","- C18 H12 F N O3 -","- C36 H24 F2 N2 O6 -","2","1","","Khanna, Garima; Aggarwal, Komal; Khurana, Jitender","An efficient and confluent approach for the synthesis of novel 3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazine-5,10-dione derivatives by a three component reaction in ionic liquid","RSC Adv.","2015","","","","","10.1039/C5RA06169E","","","0.71073","MoKα","","0.0613","0.0531","","","0.1405","0.1461","","","","","","1.02","","","","has coordinates","136946","2020-10-21","18:00:00",""
"7220498","6.5753","0.0004","9.3025","0.0006","19.5943","0.0012","90","","96.416","0.003","90","","1191.01","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 Ni S2 -","- C26 H22 N4 Ni S2 -","- C52 H44 N8 Ni2 S4 -","2","0.5","","Rengan, Ramesh; Ramasamy, Raj kumar; Mohamed Kasim, Mohamed Subarkhan","Synthesis and Structure of Nickel(II) thiocarboxamide Complexes: Effect of ligand substitutions on DNA/Protein binding, Antioxidant and Cytotoxicity","RSC Adv.","2015","","","","","10.1039/C5RA06112A","","","0.71073","MoKα","","0.043","0.0322","","","0.097","0.1112","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220500","17.309","0.002","7.7202","0.001","28.054","0.003","90","","95.289","0.008","90","","3732.9","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 O3 S3 -","- C40 H48 N4 O3 S3 -","- C160 H192 N16 O12 S12 -","4","1","","Sauve, Genevieve; Etheridge, Forrest S.; Fernando, Roshan; Golen, James A.; Rheingold, Arnold L.","Tuning Optoelectronic Properties of core-Substituted Naphthalene Diimides by the Selective Conversion of Imides to Monothioimides","RSC Adv.","2015","","","","","10.1039/C5RA05920H","","","1.54178","CuKα","","0.2125","0.1395","","","0.3851","0.4231","","","","","","1.555","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220501","9.3372","0.0005","9.6286","0.0003","19.5494","0.0006","90","","90","","90","","1757.57","0.12","104.3","","104.3","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(R)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0352","0.0334","","","0.0866","0.0879","","","","","","1.044","","","","has coordinates","137032","2020-10-21","18:00:00",""
"7220502","9.3355","0.0003","9.6307","0.0003","19.5386","0.0003","90","","90","","90","","1756.66","0.08","100.8","","100.8","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(S)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0374","0.0357","","","0.0895","0.0908","","","","","","1.063","","","","has coordinates","137032","2020-10-21","18:00:00",""
"7220503","9.33933","0.00018","19.7504","0.0004","9.61969","0.00017","90","","90","","90","","1774.4","0.06","180.01","0.1","180.01","0.1","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","Glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.54184","CuKα","","0.0313","0.0289","","","0.0745","0.0763","","","","","","1.026","","","","has coordinates,has disorder","137032","2020-10-21","18:00:00",""
"7220504","8.7922","0.0006","14.9186","0.0008","13.4193","0.001","90","","120.13","0.005","90","","1522.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cu N2 O5 -","- C15 H11 Cu N2 O5 -","- C60 H44 Cu4 N8 O20 -","4","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0411","0.0372","","","0.0897","0.0922","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220505","26.424","0.014","9.529","0.004","19.889","0.011","90","","124.468","0.008","90","","4129","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cu2 N2 O8.5 -","- C20.5 H15.5 Cu2 N2 O8.5 -","- C164 H124 Cu16 N16 O68 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0421","0.035","","","0.0876","0.0922","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220507","23.182","0.011","12.61","0.005","17.333","0.008","90","","130.001","0.007","90","","3881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu2 N4 O12 -","- C34 H34 Cu2 N4 O12 -","- C136 H136 Cu8 N16 O48 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0335","0.0304","","","0.0812","0.0826","","","","","","1.058","","","","has coordinates","143369","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220509","7.751","0.002","12.916","0.003","14.603","0.004","83.875","0.006","88.192","0.007","74.126","0.006","1398.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N4 O7.5 -","- C25 H24 Cu N4 O7.5 -","- C50 H48 Cu2 N8 O15 -","2","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0876","0.0596","","","0.1708","0.192","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00",""
"7220511","12.499","0.003","15.4","0.004","17.164","0.004","79.589","0.003","74.873","0.003","81.892","0.003","3121.4","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methyl-pryogallol[4]arene with rhodamine B","","","- C65 H82 N2 O20 -","- C65 H82 N2 O20 -","- C130 H164 N4 O40 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0938","0.0519","","","0.1128","0.1326","","","","","","1.026","","","","has coordinates","143408","2020-10-21","18:00:00",""
"7220512","12.6309","0.0014","15.1204","0.0017","16.9812","0.0019","80.807","0.001","75.354","0.001","79.911","0.001","3066.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with rhodamine B","","","- C66 H80 N2 O18 -","- C66 H80 N2 O18 -","- C132 H160 N4 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0814","0.0583","","","0.1574","0.1774","","","","","","1.037","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220513","12.4659","0.0007","15.6276","0.0008","17.6068","0.0009","69.247","0.002","75.581","0.003","78.539","0.003","3083.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with rhodamine B","","","- C68 H86 N2 O19 -","- C68 H82 N2 O19 -","- C136 H164 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.0665","0.0581","","","0.1597","0.1697","","","","","","1.031","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220514","33.748","0.004","12.5218","0.0013","31.831","0.003","90","","102.816","0.001","90","","13116","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C71 H90.25 N2 O18.5 -","- C71 H86.25 N2 O18.5 -","- C568 H690 N16 O148 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0805","0.0578","","","0.1577","0.1742","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220515","12.407","0.003","15.969","0.003","18.498","0.004","79.532","0.003","71.722","0.003","80.076","0.003","3395.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene","","","- C72 H94 N2 O19 -","- C72 H94 N2 O19 -","- C144 H188 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1579","0.0834","","","0.2403","0.3073","","","","","","1.046","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220516","33.339","0.011","12.549","0.004","31.947","0.011","90","","105.02","0.005","90","","12909","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C69 H84.5 N2.5 O17.5 -","- C69 H79.5 N2.5 O17.5 -","- C552 H636 N20 O140 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.127","0.0839","","","0.2358","0.2875","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220518","14.103","0.002","14.457","0.002","15.357","0.003","63.031","0.002","69.038","0.002","84.764","0.002","2596.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with pyronin Y","","","- C55 H65 Cl2 N2 O14 -","- C55 H65 Cl2 N2 O14 -","- C110 H130 Cl4 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1358","0.0921","","","0.2178","0.2498","","","","","","1.036","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220519","14.3619","0.0004","24.7111","0.0006","15.9255","0.0004","90","","109.14","0.003","90","","5339.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H42.75 N2.25 O11 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.0761","0.0468","","","0.1034","0.1142","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220520","14.1639","0.0005","25.2402","0.0007","15.9077","0.0007","90","","111.043","0.004","90","","5307.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H40.75 N2.25 O10 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1176","0.0769","","","0.1806","0.2013","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220522","14.5426","0.0006","25.0252","0.0007","16.5912","0.0007","90","","109.841","0.005","90","","5679.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1297","0.099","","","0.2479","0.2645","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220523","14.7573","0.0007","24.3576","0.0007","17.9206","0.001","90","","117.685","0.003","90","","5704.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1221","0.0762","","","0.1942","0.2237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220524","8.5607","0.001","14.1023","0.0017","20.294","0.002","88.5392","0.0017","86.4998","0.0015","81.2519","0.0016","2416.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Gd4 N6 O45 -","- C24 H42 Gd4 N6 O45 -","- C48 H84 Gd8 N12 O90 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.069","0.057","","","0.1455","0.1516","","","","","","1.056","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220525","8.5627","0.0015","14.078","0.003","20.297","0.004","88.568","0.003","86.325","0.004","81.382","0.003","2413.8","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N6 O45 Tb4 -","- C24 H35 N6 O45 Tb4 -","- C48 H70 N12 O90 Tb8 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.2457","0.1347","","","0.2557","0.2983","","","","","","0.971","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220526","5.69647","0.00005","5.69647","0.00005","11.3394","0.0002","90","","90","","90","","367.961","0.008","293","","293","","","","","","","","","4","I -4 2 m","I -4 2","121","CZTSe","Copper Zinc Tin selenide","","- Cu2 Se4 Sn Zn -","- Cu2 Se4 Sn Zn -","- Cu4 Se8 Sn2 Zn2 -","2","0.125","","Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane","The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).","Physical chemistry chemical physics : PCCP","2015","17","23","15088","15092","10.1039/c5cp01709b","","x-ray","0.71069","MoKα","","0.0363","0.0275","","","0.0994","0.109","","","","1.77","1.77","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220527","12.376","0.003","15.058","0.003","18.787","0.004","86.58","0.03","85.6","0.03","87.2","0.03","3481.1","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Ag6 N14 O41 Si W12 -","- C40 H28 Ag6 N14 O41 Si W12 -","- C80 H56 Ag12 N28 O82 Si2 W24 -","2","1","","xiaobing, cui; xiao, lina; song, xiaojing; liwei, Fu; hu, yangyang; guo, haiyang; Jia, Mingjun; Zhang, Xiao; xu, jianing; Xu, Ji-Qing","Two novel structures based on an organic ligand with two different coordination modes","RSC Adv.","2015","","","","","10.1039/C5RA05603A","","","0.71073","MoKα","","0.0662","0.0569","","","0.1091","0.1135","","","","","","1.072","","","","has coordinates","137094","2020-10-21","18:00:00",""
"7220528","14.152","0.003","13.751","0.003","16.745","0.003","90","","93.81","0.03","90","","3251.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 Ag2 N14 O40 P W12 -","- C40 H28 Ag2 N14 O40 P W12 -","- C80 H56 Ag4 N28 O80 P2 W24 -","2","0.5","","xiaobing, cui; xiao, lina; song, xiaojing; liwei, Fu; hu, yangyang; guo, haiyang; Jia, Mingjun; Zhang, Xiao; xu, jianing; Xu, Ji-Qing","Two novel structures based on an organic ligand with two different coordination modes","RSC Adv.","2015","","","","","10.1039/C5RA05603A","","","0.71073","MoKα","","0.0474","0.0432","","","0.1055","0.1086","","","","","","1.052","","","","has coordinates,has disorder","137094","2020-10-21","18:00:00",""
"7220529","14.57764","0.0001","14.57764","0.0001","7.54977","0.00006","90","","90","","120","","1389.44","0.017","293","2","293","2","","","","","","","","3","P 31","P 31","144","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C60 H84 O12 -","3","1","","yin, sheng; Zhu, Jian-Yong; Lou, Lan-Lan; Guo, Yan-Qiong; Li, Wei; Guo, Yan-Hong; Bao, Jing-Mei; Tang, Gui-Hua; Bu, Xianzhang","Natural Thioredoxin Reductase Inhibitors from Jatropha integerrima","RSC Adv.","2015","","","","","10.1039/C5RA07274C","","x-ray","1.54184","CuKα","","0.0267","0.0262","","","0.0689","0.0696","","","","","","1.036","","","","has coordinates","137095","2020-10-21","18:00:00",""
"7220530","15.136","0.005","17.265","0.005","14.239","0.005","90","","95.717","0.005","90","","3702","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cd N10 O7 -","- C20 H15 Cd N7 O4 -","- C80 H60 Cd4 N28 O16 -","4","1","","Su, Zhong-Min; Wang, Hai-Ning; Jiang, Si-Quan; Lu, Qing-Yun; Zhou, Ziyan; Zhuo, Shuping; Shan, Guogang","A pillar-layer MOF for detection of small molecule acetone and metal ions in dilute solution","RSC Adv.","2015","","","","","10.1039/C5RA08347H","","","0.71069","MoKα","","0.0483","0.0314","","","0.0738","0.077","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220531","12.3609","0.0006","12.3687","0.0006","16.1134","0.0008","80.798","0.001","81.685","0.001","67.547","0.001","2238.05","0.19","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H36 K10 Mn2 O86 P2 Sn2 W18 -","- C6 H8 K10 Mn2 O86 P2 Sn2 W18 -","- C6 H8 K10 Mn2 O86 P2 Sn2 W18 -","1","0.5","","Zhang, Bai; Zhang, Lan-Cui; Zhang, Yajun; Su, fang; You, wansheng; Zhu, Zaiming","Two Keggin sandwich-type tungstophosphates modified by open-chain carboxyethyltin groups and transition metals","RSC Adv.","2015","","","","","10.1039/C5RA07419C","","","0.71073","MoKα","","0.048","0.041","","","0.113","0.118","","","","","","1.048","","","","has coordinates,has disorder","137097","2020-10-21","18:00:00",""
"7220532","12.2118","0.0017","12.401","0.002","15.826","0.002","96.179","0.003","104.324","0.002","119.353","0.002","1948.3","0.5","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C6 H34 K2 Na8 O85 P2 Sn2 W18 Zn2 -","- C6 H8 K2 Na8 O85 P2 Sn2 W18 Zn2 -","- C6 H8 K2 Na8 O85 P2 Sn2 W18 Zn2 -","1","0.5","","Zhang, Bai; Zhang, Lan-Cui; Zhang, Yajun; Su, fang; You, wansheng; Zhu, Zaiming","Two Keggin sandwich-type tungstophosphates modified by open-chain carboxyethyltin groups and transition metals","RSC Adv.","2015","","","","","10.1039/C5RA07419C","","","0.71073","MoKα","","0.1061","0.077","","","0.1966","0.2194","","","","","","1.027","","","","has coordinates,has disorder","137097","2020-10-21","18:00:00",""
"7220533","16.9914","0.0004","7.1576","0.0002","7.4801","0.0002","90","","99.014","0.001","90","","898.48","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 Cl2 O4 Zn -","- C8 H2 Cl2 O4 Zn -","- C32 H8 Cl8 O16 Zn4 -","4","1","","Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A.","The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity","RSC Adv.","2015","","","","","10.1039/C5RA07677C","","x-ray","0.71073","MoKα","","0.0306","0.0247","","","0.0578","0.0604","","","","","","1.04","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7220534","7.882","0.005","7.035","0.005","16.863","0.005","90","0.005","97.547","0.005","90","0.005","927","0.9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H2 Cd Cl2 O4 -","- C8 H2 Cd Cl2 O4 -","- C32 H8 Cd4 Cl8 O16 -","4","1","","Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A.","The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity","RSC Adv.","2015","","","","","10.1039/C5RA07677C","","x-ray","0.71073","MoKα","","0.0239","0.0227","","","0.0573","0.0579","","","","","","1.125","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7220535","8.8126","0.0003","10.6094","0.0003","10.5394","0.0003","90","","96.18","0.003","90","","979.67","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N2 O3 Zn -","- C4 H2 N2 O3 Zn -","- C16 H8 N8 O12 Zn4 -","4","1","","Xu, Guodong; Peng, Yongwu; Hu, Zhigang; Yuan, Daqiang; Donnadieu, Bruno; Zhao, Dan; Cheng, Hansong","A 2D metal-organic framework composed of bi-functional ligand with ultra-micropores for post-combustion CO2 capture","RSC Adv.","2015","","","","","10.1039/C5RA04295J","","","1.54184","CuKα","","0.0292","0.0269","","","0.0787","0.08","","","","","","1.157","","","","has coordinates","137195","2020-10-21","18:00:00",""
"7220536","8.75","0.002","11.792","0.003","12.599","0.003","63.166","0.011","74.738","0.014","83.873","0.016","1119","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl O5 S -","- C24 H23 Cl O5 S -","- C48 H46 Cl2 O10 S2 -","2","1","","Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming","Yb(OTf)3 catalyzed [3+2] annulations of D−A cyclopropanes with β-oxodithioesters：a regioselective synthesis of tetrahydrothiophenes","RSC Adv.","2015","","","","","10.1039/C5RA06355H","","","0.71073","MoKα","","0.1086","0.0975","","","0.2423","0.2535","","","","","","1.107","","","","has coordinates","137196","2020-10-21","18:00:00",""
"7220537","16.4871","0.0005","12.8345","0.0003","21.2978","0.0007","90","","112.389","0.004","90","","4167","0.2","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C22 H22 O5 S2 -","- C22 H22 O5 S2 -","- C176 H176 O40 S16 -","8","1","","Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming","Yb(OTf)3 catalyzed [3+2] annulations of D−A cyclopropanes with β-oxodithioesters：a regioselective synthesis of tetrahydrothiophenes","RSC Adv.","2015","","","","","10.1039/C5RA06355H","","","0.71","MoKα","","0.0529","0.0521","","","0.1233","0.1239","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220538","11.7363","0.0015","13.918","0.004","15.892","0.002","109.483","0.004","110.352","0.003","92.31","0.004","2258.3","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H132 N14 O12 -","- C90 H132 N14 O12 -","- C90 H132 N14 O12 -","1","0.5","","Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan","Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies","RSC Adv.","2015","","","","","10.1039/C5RA08747C","","","0.71073","MoKα","","0.0742","0.0491","","","0.1223","0.1375","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220539","17.066","0.01","18.946","0.01","20.674","0.011","90","","105.45","0.015","90","","6443","6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H186 Cl2 F6 N10 O16 -","- C115.32 H169.68 Cl4 F6 N10 O12 -","- C230.64 H339.36 Cl8 F12 N20 O24 -","2","0.5","","Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan","Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies","RSC Adv.","2015","","","","","10.1039/C5RA08747C","","","0.71073","MoKα","","0.1603","0.0949","","","0.2479","0.3064","","","","","","0.914","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220540","38.647","0.004","10.5794","0.0011","23.724","0.003","90","","97.545","0.003","90","","9615.9","1.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90 H120 N14 O26 -","- C90 H120 N14 O26 -","- C360 H480 N56 O104 -","4","0.5","","Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan","Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies","RSC Adv.","2015","","","","","10.1039/C5RA08747C","","","0.71073","MoKα","","0.0926","0.0524","","","0.1449","0.1712","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220541","11.425","0.004","14.397","0.005","16.57","0.006","80.64","0.01","71.645","0.01","89.007","0.01","2550.8","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H120 F18 N8 O14 -","- C96 H126 F18 N8 O14 -","- C96 H126 F18 N8 O14 -","1","0.5","","Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan","Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies","RSC Adv.","2015","","","","","10.1039/C5RA08747C","","","0.71073","MoKα","","0.1678","0.0856","","","0.226","0.3084","","","","","","0.855","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220542","11.195","0.002","15.809","0.003","25.39","0.004","90","","94.337","0.005","90","","4480.7","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H118 Cl2 N14 O20 -","- C86 H114 Cl2 N14 O20 -","- C172 H228 Cl4 N28 O40 -","2","0.5","","Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan","Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies","RSC Adv.","2015","","","","","10.1039/C5RA08747C","","","0.71073","MoKα","","0.0764","0.057","","","0.1485","0.166","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220543","8.83","0.002","12.98","0.003","10.115","0.003","90","","93.87","0.003","90","","1156.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0342","0.0314","","","0.0789","0.0808","","","","","","1.046","","","","has coordinates","137198","2020-10-21","18:00:00",""
"7220544","6.845","0.004","15.614","0.011","24.566","0.015","90","","90","","90","","2626","3","150.15","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C104 H112 N32 O8 S8 -","8","1","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0777","0.0659","","","0.1853","0.1983","","","","","","1.048","","","","has coordinates","137198","2020-10-21","18:00:00",""
"7220545","19.2985","0.0014","11.9741","0.0014","15.3857","0.0013","90","","106.181","0.004","90","","3414.5","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 N11 Ni O5 S2 -","- C29 H39 N11 Ni O5 S2 -","- C116 H156 N44 Ni4 O20 S8 -","4","0.5","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0406","0.0346","","","0.0904","0.0965","","","","","","1.03","","","","has coordinates,has disorder","137198","2020-10-21","18:00:00",""
"7220546","10.651","0.001","10.802","0.001","12.528","0.001","97.671","0.004","92.238","0.004","110.803","0.003","1329.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL5i(azpy)]","","","- C28 H26 Fe N6 O6 -","- C28 H26 Fe N6 O6 -","- C56 H52 Fe2 N12 O12 -","2","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0557","0.0356","","","0.0754","0.0801","","","","","","0.923","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220547","17.134","0.002","16.762","0.002","21.725","0.004","90","","90.206","0.015","90","","6239.4","1.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeL5b(azpy)].0,5azpy","","","- C33 H30 Fe N8 O4 -","- C33 H30 Fe N8 O4 -","- C264 H240 Fe8 N64 O32 -","8","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0815","0.0485","","","0.1019","0.111","","","","","","0.922","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220548","6.30805","0.00013","14.8331","0.0003","16.7092","0.0003","90","","90","","90","","1563.45","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4, 5-seco-probotryenol A","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","","1.54184","CuKα","","0.0297","0.0281","","","0.0698","0.0708","","","","","","1.083","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220549","9.13361","0.00013","10.68806","0.00014","13.75024","0.00019","90","","90","","90","","1342.31","0.03","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","12-hydroxydehydrobotrydienol","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54184","CuKα","","0.0301","0.029","","","0.0728","0.0738","","","","","","1.107","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220550","8.8587","0.0003","10.9481","0.0004","13.7817","0.0005","90","","90","","90","","1336.63","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dehydrobotrydienol","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54178","CuKα","","0.0819","0.073","","","0.1899","0.2014","","","","","","1.033","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220551","17.679","0.005","27.134","0.007","6.9113","0.0018","90","","94.222","0.008","90","","3306.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H44 Cd N4 O16 -","- C24 H43 Cd N4 O16 -","- C96 H172 Cd4 N16 O64 -","4","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0516","0.043","","","0.1306","0.1455","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220552","10.149","0.0005","10.2936","0.0005","13.6107","0.0007","104.922","0.004","109.154","0.005","95.153","0.004","1274.01","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","1","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0411","0.0373","","","0.0785","0.0801","","","","","","1.45","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220553","14.9067","0.0004","9.467","0.0003","18.6466","0.0005","90","","108.471","0.002","90","","2495.88","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O3 -","- C27 H33 Cl N2 O3 -","- C108 H132 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0559","0.0454","","","0.119","0.1249","","","","2","2","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220554","9.9394","0.0006","9.3964","0.0008","28.5819","0.0017","90","","98.318","0.005","90","","2641.3","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N O4 -","- C28 H38 Cl N O4 -","- C112 H152 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0578","0.0447","","","0.1158","0.1246","","","","1.62","1.62","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220555","13.654","0.002","9.739","0.0014","18.621","0.002","90","","106.609","0.012","90","","2372.8","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O4 -","- C26 H34 Cl N O4 -","- C104 H136 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0553","0.0467","","","0.12","0.1259","","","","1.91","1.91","1.8","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220556","9.9289","0.0003","9.429","0.0003","26.8357","0.001","90","","97.556","0.003","90","","2490.53","0.14","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 O5 -","- C26 H33 Cl N2 O5 -","- C104 H132 Cl4 N8 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0587","0.0506","","","0.1305","0.1368","","","","1.93","1.93","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220557","15.1562","0.0007","9.536","0.0003","18.8677","0.0008","90","","109.782","0.004","90","","2566.02","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O3 -","- C28 H35 Cl N2 O3 -","- C112 H140 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0488","0.0416","","","0.1108","0.1158","","","","1.92","1.92","1.83","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220558","39.7859","0.0005","6.9575","0.0001","17.1898","0.0004","90","","100.099","0.0014","90","","4684.6","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O4.5 -","- C25 H33 Cl N O4.5 -","- C200 H264 Cl8 N8 O36 -","8","2","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0511","0.0457","","","0.1199","0.1254","","","","1.97","1.97","1.91","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7220559","19.1988","0.0007","13.1107","0.0003","9.5387","0.0003","90","","98.175","0.003","90","","2376.59","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N O5 -","- C25 H34 Cl N O5 -","- C100 H136 Cl4 N4 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0958","0.0988","","","","1.62","1.62","1.56","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220560","14.2221","0.0011","5.7852","0.0005","7.3262","0.0006","90","","114.168","0.002","90","","549.95","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Atuchin, V. V.; Ivannikova, N. V.; Komonov, A. I.; Kuratieva, N. V.; Loshkarev, I. D.; Pervukhina, N. V.; Pokrovsky, L. D.; Shlegel, V. N.","The low thermal gradient Czochralski crystal growth and microstructural properties of a Pb2MoO5(20−1) cleaved surface","CrystEngComm","2015","17","24","4512","","10.1039/C5CE00309A","","","0.71073","MoKα","","0.0358","0.0336","","","0.0834","0.0851","","","","","","1.036","","","","has coordinates","143398","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220563","8.7022","0.0003","8.952","0.0003","12.6698","0.0006","106.807","0.004","90.983","0.003","110.054","0.002","880.1","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","1","0.5","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.71073","MoKα","","0.047","0.0342","","","0.0812","0.0871","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220564","6.234","0.0012","11.118","0.002","11.948","0.002","86.78","0.03","79.95","0.03","83.01","0.03","808.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cu2 O15 -","- C8 H10 Cu2 O15 -","- C16 H20 Cu4 O30 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.7383","","","0.0719","0.0615","","","0.1767","0.1912","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220566","18.6107","0.0005","18.6107","0.0005","4.8022","0.0003","90","","90","","90","","1663.28","0.12","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cu2 O16 -","- C8 H20 Cu2 O16 -","- C32 H80 Cu8 O64 -","4","0.25","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0314","0.0299","","","0.0788","0.0805","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220567","8.0007","0.0008","11.0476","0.0009","14.0408","0.0011","110.768","0.008","96.37","0.008","97.671","0.007","1133.12","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Cu4 O21 -","- C16 H8 Cu4 O21 -","- C32 H16 Cu8 O42 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0614","0.0498","","","0.1359","0.149","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220569","12.645","0.0003","15.1066","0.0004","13.214","0.0002","90","","93.207","0.002","90","","2520.22","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 O S -","- C11 H18 N2 O S -","- C88 H144 N16 O8 S8 -","8","2","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation","Green Chem.","2015","","","","","10.1039/C5GC00948K","","","0.71073","MoKα","","0.1071","0.0546","","","0.1051","0.1286","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7220570","10.4317","0.0003","15.4783","0.0005","11.9638","0.0004","90","","102.189","0.002","90","","1888.19","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O S -","- C20 H28 N2 O S -","- C80 H112 N8 O4 S4 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation","Green Chem.","2015","","","","","10.1039/C5GC00948K","","","0.71073","MoKα","","0.0885","0.051","","","0.1149","0.1336","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7220571","7.9953","0.0012","15.115","0.002","11.4875","0.0017","90","","107.186","0.005","90","","1326.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 S2 -","- C11 H18 N2 S2 -","- C44 H72 N8 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation","Green Chem.","2015","","","","","10.1039/C5GC00948K","","","0.71073","MoKα","","0.0695","0.0464","","","0.1201","0.1329","","","","","","1.074","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7220572","10.1668","0.0011","16.0775","0.0016","12.9862","0.0012","90","","103.802","0.005","90","","2061.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 S2 -","- C20 H28 N2 S2 -","- C80 H112 N8 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","CO2, COS and CS2 Adducts of N-Heterocyclic Olefin and Their Application as Organocatalysts for Carbon Dioxide Fixation","Green Chem.","2015","","","","","10.1039/C5GC00948K","","","0.71073","MoKα","","0.0707","0.0441","","","0.1059","0.1202","","","","","","1.037","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7220573","10.056","0.01","15.875","0.016","9.709","0.009","90","","115.617","0.015","90","","1398","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","1","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.127","0.0889","","","0.2625","0.249","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220574","4.895","0.002","12.127","0.012","27.29","0.01","90","","90","","90","","1620","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 O9 -","- C13 H13 N3 O9 -","- C52 H52 N12 O36 -","4","1","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.1727","0.0807","","","0.0986","0.1295","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220575","8.759","0.004","12.834","0.005","30.603","0.013","90","","90","","90","","3440","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C112 H120 N24 O72 -","8","2","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.0581","0.0501","","","0.1406","0.1528","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220576","8.0669","0.0001","10.2015","0.0002","10.8792","0.0002","90.425","0.001","104.972","0.001","94.357","0.001","862.07","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl Cu N3 O -","- C20 H14 Cl Cu N3 O -","- C40 H28 Cl2 Cu2 N6 O2 -","2","1","","Chattopadhyay, Pabitra; Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Sen, Supriti","A water soluble copper(II) complex as a HSO4- ion selective turn-on fluorescent sensor applicable in living cell imaging","RSC Adv.","2015","","","","","10.1039/C5RA09121G","","","0.71073","MoKα","","0.054","0.0364","","","0.0892","0.0978","","","","","","1.028","","","","has coordinates","137489","2020-10-21","18:00:00",""
"7220577","14.7508","0.0011","9.8446","0.0008","13.9881","0.0008","90","","91.028","0.003","90","","2031","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H20 N4 O8 -","- C23 H24 N4 O2 -","- C92 H96 N16 O8 -","4","1","","Chattopadhyay, Pabitra; Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Sen, Supriti","A water soluble copper(II) complex as a HSO4- ion selective turn-on fluorescent sensor applicable in living cell imaging","RSC Adv.","2015","","","","","10.1039/C5RA09121G","","","0.71073","MoKα","","0.0529","0.045","","","0.1196","0.1264","","","","","","1.014","","","","has coordinates","137489","2020-10-21","18:00:00",""
"7220578","29.4783","0.0015","29.4783","0.0015","14.1301","0.0008","90","","90","","120","","10633.6","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H18 N2 O12 Tb -","- C20 H18 N2 O12 Tb -","- C360 H324 N36 O216 Tb18 -","18","1","","Wang, Jinzeng; Sun, Wei; Chang, Siyuan; liu, hou-ting; zhang, guonan; Wang, Yan-Qing; Liu, Zhiliang","A terbium metal‒organic framework with stable luminescent emission in wide pH range that acts as a quantitative detection material for nitroaromatics","RSC Adv.","2015","","","","","10.1039/C5RA06308F","","","1.54184","CuKα","","0.0584","0.0399","","","0.0841","0.0922","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220579","6.574","0.0013","22.414","0.005","7.9769","0.0016","90","","113.126","0.004","90","","1080.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N4 O3 -","- C11 H8 N4 O3 -","- C44 H32 N16 O12 -","4","1","","Fershtat, Leonid L.; Ananyev, Ivan V.; Makhova, Nina N.","Efficient assembly of mono- and bis(1,2,4-oxadiazol-3-yl)furoxan scaffolds via tandem reactions of furoxanylamidoximes","RSC Adv.","2015","5","58","47248","","10.1039/C5RA07295F","","","0.71073","MoKα","","0.1135","0.0625","","","0.1258","0.1429","","","","","","1.032","","","","has coordinates","137491","2020-10-21","18:00:00",""
"7220580","5.9327","0.0001","8.3874","0.0001","11.5697","0.0001","90","","90","","90","","575.707","0.013","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 Cl2 F N S -","- C2 Cl2 F N S -","- C8 Cl8 F4 N4 S4 -","4","1","","Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O","The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases.","Physical chemistry chemical physics : PCCP","2015","17","24","15805","15812","10.1039/c5cp01968k","","","0.71073","MoKα","","0.0234","0.0225","","","0.0558","0.0566","","","","","","1.033","","","","has coordinates","143766","2020-10-21","18:00:00",""
"7220581","10.828","0.0009","11.8782","0.001","13.0516","0.0011","71.509","0.003","80.263","0.003","75.906","0.003","1536.3","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 S9 -","- C32 H28 S9 -","- C64 H56 S18 -","2","1","","Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted","Diindenothienoacene‒tetrathiafulvalene redox systems","RSC Adv.","2015","","","","","10.1039/C5RA09581F","","","0.71073","MoKα","","0.0498","0.0352","","","0.0864","0.0937","","","","","","1.039","","","","has coordinates","137528","2020-10-21","18:00:00",""
"7220582","18.986","0.0008","7.7528","0.0003","26.2885","0.0011","90","","91.185","0.002","90","","3868.7","0.3","122","2","122","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 S9 -","- C40 H44 S9 -","- C160 H176 S36 -","4","1","","Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted","Diindenothienoacene‒tetrathiafulvalene redox systems","RSC Adv.","2015","","","","","10.1039/C5RA09581F","","","0.71073","MoKα","","0.0586","0.0365","","","0.0768","0.0847","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220583","5.1226","0.0006","12.42","0.0016","16.585","0.002","72.1","0.004","87.594","0.004","83.656","0.004","997.9","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 S5 -","- C21 H22 S5 -","- C42 H44 S10 -","2","1","","Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted","Diindenothienoacene‒tetrathiafulvalene redox systems","RSC Adv.","2015","","","","","10.1039/C5RA09581F","","","0.71073","MoKα","","0.1822","0.1261","","","0.2849","0.3122","","","","","","1.088","","","","has coordinates,has disorder","137528","2020-10-21","18:00:00",""
"7220584","8.4813","0.0006","9.5976","0.0007","14.0855","0.001","106.867","0.003","104.772","0.003","97.842","0.003","1033.18","0.13","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 S5 -","- C21 H22 S5 -","- C42 H44 S10 -","2","1","","Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted","Diindenothienoacene‒tetrathiafulvalene redox systems","RSC Adv.","2015","","","","","10.1039/C5RA09581F","","","0.71073","MoKα","","0.0635","0.0463","","","0.1452","0.1539","","","","","","1.082","","","","has coordinates","137528","2020-10-21","18:00:00",""
"7220585","13.7471","0.0007","14.2896","0.0009","19.086","0.0011","78.671","0.002","72.701","0.002","80.847","0.002","3489.6","0.3","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 F12 P2 S18 -","- C64 H56 F12 P2 S18 -","- C128 H112 F24 P4 S36 -","2","1","","Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted","Diindenothienoacene‒tetrathiafulvalene redox systems","RSC Adv.","2015","","","","","10.1039/C5RA09581F","","","0.71073","MoKα","","0.2135","0.1077","","","0.2485","0.3065","","","","","","1.027","","","","has coordinates,has disorder","137528","2020-10-21","18:00:00",""
"7220586","20.353","0.018","7.416","0.006","11.123","0.01","90","","90","","90","","1679","3","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B3 Ba7 Cl Ge O13 -","- B3 Ba7 Cl Ge O13 -","- B12 Ba28 Cl4 Ge4 O52 -","4","0.5","","Wen, Ming; Lian, Zhipeng; Wu, Hongping; Su, Xin; Yan, Qingfeng; Lu, Juanjuan; Yang, Zhihua; Pan, ShiLie","Ba7(BO3)3GeO4X (X=Cl, Br): the borogermanate halides with rigid GeO4 tetrahedra and flexible XBa6 octahedra","RSC Adv.","2015","","","","","10.1039/C5RA07450A","","","0.71073","MoKα","","0.0545","0.0351","","","0.0612","0.0675","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220587","20.381","0.008","7.477","0.003","11.175","0.004","90","","90","","90","","1702.9","1.1","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B3 Ba7 Br Ge O13 -","- B3 Ba7 Br Ge O13 -","- B12 Ba28 Br4 Ge4 O52 -","4","0.5","","Wen, Ming; Lian, Zhipeng; Wu, Hongping; Su, Xin; Yan, Qingfeng; Lu, Juanjuan; Yang, Zhihua; Pan, ShiLie","Ba7(BO3)3GeO4X (X=Cl, Br): the borogermanate halides with rigid GeO4 tetrahedra and flexible XBa6 octahedra","RSC Adv.","2015","","","","","10.1039/C5RA07450A","","","0.71073","MoKα","","0.0426","0.0315","","","0.0585","0.063","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220588","8.2784","0.001","7.0371","0.0009","16.043","0.002","90","","99.097","0.002","90","","922.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O6 Pt -","- C6 H6 N2 O6 Pt -","- C24 H24 N8 O24 Pt4 -","4","1","","Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun","Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking","RSC Adv.","2015","5","59","47798","","10.1039/C5RA04972E","","","0.71073","MoKα","","0.0205","0.0185","","","0.0456","0.0466","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220589","7.6445","0.0017","18.415","0.004","7.137","0.0016","90","","96.371","0.003","90","","998.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O7 Pt -","- C7 H9 N O7 Pt -","- C28 H36 N4 O28 Pt4 -","4","1","","Zhu, Ming-Chang; Cui, Xiao-Ting; Zhao, Fu-Chen; Ma, Xiao-Yu; Han, Zheng-Bo; Gao, En-Jun","Synthesis, characterization, and DNA interaction of novel Pt(ii) complexes and their cytotoxicity, apoptosis and molecular docking","RSC Adv.","2015","5","59","47798","","10.1039/C5RA04972E","","","0.71073","MoKα","","0.0253","0.0217","","","0.0536","0.0555","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220590","8.686","0.006","10.371","0.008","11.293","0.008","109.138","0.007","111.662","0.009","92.379","0.009","877.8","1.1","293","","293","","","","","","","","see text","5","P -1","-P 1","2","","","","- C23 H14 Cl N O2 -","- C23 H14 Cl N O2 -","- C46 H28 Cl2 N2 O4 -","2","1","","Koneni, Venkata Sashidhara; Palnati, Gopala Reddy; Singh, L. Ravithej; Upadhyay, Amit; Avula, Srinivasa Rao; kumar, Abdhesh; Kant, Ruchir","Molecular Iodine Catalysed One-Pot Synthesis of Chromeno[4,3-b]quinolin-6-ones under Microwave Irradiation","Green Chem.","2015","","","","","10.1039/C5GC00756A","","","0.71075","MoKα","","0.0775","0.0505","","","0.1228","0.1463","","","","","","0.914","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7220591","14.554","0.005","14.649","0.005","20.459","0.007","83.042","0.007","77.036","0.007","64.534","0.006","3836","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H70 Ag15 K2 Mo24 N40 O82 P2 -","- C80 H70 Ag15 K2 Mo24 N40 O82 P2 -","- C80 H70 Ag15 K2 Mo24 N40 O82 P2 -","1","0.5","","Tian, Aixiang; Hou, Xue; Ying, Jun; Liu, Guocheng; Yang, Yang; Ning, Yali; Li, Tianjiao; Wang, Xiuli","A series of polyoxometalate-based compounds including infinite Ag belts and circles constructed by two tolyl-1H-tetrazole isomers","RSC Adv.","2015","","","","","10.1039/C5RA07107K","","","0.71073","MoKα","","0.1832","0.0916","","","0.202","0.2481","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220592","12.083","0.005","12.283","0.005","12.941","0.005","73.276","0.006","76.471","0.007","86.012","0.007","1788.4","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Ag7 N16 O42 P W12 -","- C32 H28 Ag7 N16 O42 P W12 -","- C32 H28 Ag7 N16 O42 P W12 -","1","0.5","","Tian, Aixiang; Hou, Xue; Ying, Jun; Liu, Guocheng; Yang, Yang; Ning, Yali; Li, Tianjiao; Wang, Xiuli","A series of polyoxometalate-based compounds including infinite Ag belts and circles constructed by two tolyl-1H-tetrazole isomers","RSC Adv.","2015","","","","","10.1039/C5RA07107K","","","0.71073","MoKα","","0.0583","0.0442","","","0.1059","0.1117","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220593","24.98","0.003","19.327","0.003","21.407","0.003","90","","96.019","0.002","90","","10278","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Ag10 N32 O41 P W12 -","- C64 H56 Ag10 N32 O41 P W12 -","- C256 H224 Ag40 N128 O164 P4 W48 -","4","1","","Tian, Aixiang; Hou, Xue; Ying, Jun; Liu, Guocheng; Yang, Yang; Ning, Yali; Li, Tianjiao; Wang, Xiuli","A series of polyoxometalate-based compounds including infinite Ag belts and circles constructed by two tolyl-1H-tetrazole isomers","RSC Adv.","2015","","","","","10.1039/C5RA07107K","","","0.71073","MoKα","","0.0899","0.0428","","","0.0936","0.1084","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220595","16.337","0.003","11.925","0.002","14.007","0.003","90","","100.84","0.03","90","","2680.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 O9 S Zn -","- C6 H8 N6 O9 S Zn -","- C48 H64 N48 O72 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0489","0.0376","","","0.0782","0.083","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220596","6.6953","0.0013","8.7758","0.0018","10.028","0.002","64.41","0.03","76.36","0.03","82.37","0.03","516.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N5 O5 S Zn0.5 -","- C6 H6 N5 O5 S Zn0.5 -","- C12 H12 N10 O10 S2 Zn -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0221","0.0217","","","0.056","0.0564","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220597","6.7656","0.0006","8.7886","0.0007","10.0635","0.0008","64.603","0.005","76.394","0.005","82.581","0.005","525.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co0.5 N5 O5 S -","- C6 H6 Co0.5 N5 O5 S -","- C12 H12 Co N10 O10 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0528","0.0338","","","0.0642","0.0701","","","","","","0.937","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220598","13.8786","0.0008","13.6808","0.0006","16.6792","0.0011","90","","112.229","0.003","90","","2931.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu0.5 N5 O6 S -","- C9 H12 Cu0.5 N5 O6 S -","- C72 H96 Cu4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0456","0.0385","","","0.0992","0.1066","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220599","10.269","0.002","15.04","0.003","15.004","0.003","90","","100.71","0.03","90","","2276.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn0.5 N5 O6 S -","- C6 H8 Mn0.5 N5 O6 S -","- C48 H64 Mn4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.063","0.0597","","","0.1867","0.1906","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220600","10.184","0.002","16.442","0.003","14.923","0.003","90","","99.55","0.03","90","","2464.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Co0.5 N4 O7 S -","- C6 H8 Cl Co0.5 N4 O7 S -","- C48 H64 Cl8 Co4 N32 O56 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.086","0.0537","","","0.1016","0.1122","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220601","9.6762","0.0005","23.2403","0.0015","16.8723","0.0011","90","","101.63","0.004","90","","3716.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N4 O11 S Zn -","- C11 H13 Cl N4 O11 S Zn -","- C88 H104 Cl8 N32 O88 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.048","0.0322","","","0.0873","0.0964","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220602","6.6171","0.0004","10.0019","0.0006","10.9248","0.0007","64.702","0.003","80.817","0.004","88.608","0.004","644.54","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cd N10 O2 S -","- C6 H6 Cd N10 O2 S -","- C12 H12 Cd2 N20 O4 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0239","0.0226","","","0.0613","0.0625","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220604","17.052","0.003","10.831","0.002","12.777","0.003","90","","119.06","0.03","90","","2062.7","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl0 N4 Ni0.5 O4 S1.5 -","- C6 H6 N4 Ni0.5 O4 S1.5 -","- C48 H48 N32 Ni4 O32 S12 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0562","0.0389","","","0.0847","0.0904","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220605","18.592","0.004","8.3621","0.0017","19.857","0.004","90","","100.14","0.03","90","","3038.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Cd N2 O8 S0.5 -","- C13 H9 Cd N2 O8 S0.5 -","- C104 H72 Cd8 N16 O64 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0543","0.039","","","0.0804","0.0858","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220606","10.906","0.003","14.095","0.003","14.294","0.003","90","","105.16","0.012","90","","2120.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Ni5 S10 -","- C10 H20 Ni5 S10 -","- C40 H80 Ni20 S40 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0656","0.0413","","","0.0713","0.0792","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220607","10.7","0.008","14.844","0.01","15.567","0.01","66.82","0.06","75.32","0.06","72.64","0.06","2143","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1673","0.0821","","","0.1361","0.164","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220609","11.621","0.002","12.8025","0.0018","14.234","0.002","90","","103.641","0.01","90","","2058","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Ni6 S12 -","- C32 H36 Ni6 S12 -","- C64 H72 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0816","0.0547","","","0.1374","0.1659","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220611","17.0393","0.0006","17.8176","0.0006","20.2468","0.0007","112.788","0.003","97.045","0.003","90.308","0.003","5614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N8 Nd3 O19.5 -","- C46.5 H58 N8 Nd3 O19 -","- C186 H232 N32 Nd12 O76 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1129","0.0875","","","0.2228","0.2401","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220612","16.8042","0.0007","17.6752","0.0006","19.4071","0.0011","69.39","0.004","82.993","0.004","89.895","0.003","5349.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 N8 O18.5 Tb3 -","- C44 H47 N8 O16 Tb3 -","- C176 H188 N32 O64 Tb12 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1396","0.0884","","","0.2148","0.2518","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220613","16.7829","0.0007","17.6513","0.0006","19.3643","0.0011","69.388","0.004","83.013","0.004","89.894","0.003","5324.2","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 Dy3 N8 O18.5 -","- C44 H47 Dy3 N8 O16 -","- C176 H188 Dy12 N32 O64 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1218","0.0772","","","0.195","0.2272","","","","","","0.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220614","9.4831","0.0004","10.3029","0.0004","12.9928","0.0005","86.142","0.003","87.7","0.003","76.628","0.003","1231.83","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 Nd O9 S -","- C18 H23 N6 Nd O9 S -","- C36 H46 N12 Nd2 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0285","0.0238","","","0.0523","0.0551","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220615","9.4373","0.0005","10.2862","0.0006","12.9039","0.0006","85.73","0.004","88.061","0.004","76.723","0.005","1215.59","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 O9 S Tb -","- C18 H23 N6 O9 S Tb -","- C36 H46 N12 O18 S2 Tb2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0345","0.0281","","","0.0542","0.0572","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220616","9.421","0.002","10.2707","0.0017","12.909","0.002","85.595","0.014","87.715","0.016","76.894","0.016","1212.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Dy N6 O9 S -","- C18 H23 Dy N6 O9 S -","- C36 H46 Dy2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0386","0.035","","","0.0868","0.0901","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220617","9.3532","0.0007","10.1772","0.0004","12.8201","0.0005","85.678","0.003","87.922","0.004","76.71","0.005","1184.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Er N6 O9 S -","- C18 H23 Er N6 O9 S -","- C36 H46 Er2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0265","0.0239","","","0.0541","0.0556","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220618","18.114","0.0003","15.7015","0.0002","22.3234","0.0003","90","","97.683","0.002","90","","6292.16","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H28 Cl Dy N8 O6.5 -","- C30.5 H28 Cl Dy N8 O6.5 -","- C244 H224 Cl8 Dy8 N64 O52 -","8","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0553","0.037","","","0.0744","0.0826","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220619","7.4809","0.0018","11.265","0.003","13.576","0.003","77.76","0.006","83.288","0.007","70.811","0.006","1054.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N5 O2.5 -","- C23 H24 N5 O2.5 -","- C46 H48 N10 O5 -","2","1","","Elinson, Michail N.; Vereshchagin, Anatoly N.; Nasybullin, Ruslan; Bobrovsky, Sergey; Ilovaisky, Alexey; Merkulova, Valentina; Bushmarinov, Ivan S.; Egorov, Mikhail","General Approach to Spiro Indole-3,1′-naphthalen Tetracyclic System: Stereoselective Pseudo Four-component Reaction of Isatins and Cyclic Ketones with two Molecules of Malononitrile","RSC Adv.","2015","","","","","10.1039/C5RA03452C","","x-ray","0.71073","MoKα","","0.1417","0.0631","","","0.1538","0.2092","","","","","","0.998","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220620","29.139","0.018","8.292","0.006","22.798","0.015","90","","94.97","0.011","90","","5488","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N3 O7 Zn -","- C28 H23 N3 O7 Zn -","- C224 H184 N24 O56 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.0936","0.0527","","","0.127","0.1458","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220621","9.3089","0.0006","50.079","0.003","14.5655","0.0009","90","","107.953","0.001","90","","6459.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N10 O9 Zn2 -","- C76 H54 N10 O9 Zn2 -","- C304 H216 N40 O36 Zn8 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1526","0.061","","","0.1374","0.1802","","","","","","1.038","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220622","21.485","0.005","18.709","0.004","21.225","0.004","90","","118.707","0.004","90","","7483","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 N6 O17 Zn2 -","- C66 H54 N6 O17 Zn2 -","- C264 H216 N24 O68 Zn8 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.182","0.0781","","","0.2116","0.2716","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220623","14.3887","0.0018","15.538","0.002","17.003","0.002","87.718","0.003","65.714","0.002","76.845","0.003","3367.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 N10 O12 Zn2 -","- C76 H54 N10 O12 Zn2 -","- C152 H108 N20 O24 Zn4 -","2","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.2109","0.0798","","","0.1798","0.2577","","","","","","0.964","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220625","10.6126","0.0014","13.057","0.0016","18.873","0.002","77.782","0.002","81.567","0.002","73.826","0.002","2444.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 N16 O13 Zn2 -","- C92 H84 N16 O14 Zn2 -","- C92 H84 N16 O14 Zn2 -","1","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.137","0.0766","","","0.2134","0.2394","","","","","","1.019","","","","has coordinates,has disorder","153115","2020-10-21","18:00:00",""
"7220626","28.327","0.004","6.0289","0.0008","29.409","0.004","90","","107.892","0.003","90","","4779.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O10 Zn -","- C58 H42 N4 O10 Zn -","- C232 H168 N16 O40 Zn4 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1328","0.0554","","","0.1234","0.1666","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220628","14.7273","0.0016","34.677","0.004","8.2504","0.0009","90","","104.498","0.002","90","","4079.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N7 O6 Zn -","- C44 H36 N7 O6 Zn -","- C176 H144 N28 O24 Zn4 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.165","0.1139","","","0.297","0.325","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220630","10.2375","0.0009","4.5168","0.0005","14.7924","0.0013","90","","107.394","0.008","90","","652.73","0.11","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Harscoat-Schiavo, C.; Neurohr, C.; Lecomte, S.; Marchivie, M.; Subra-Paternault, P.","Influence of isomerism on recrystallization and cocrystallization induced by CO2as an antisolvent","CrystEngComm","2015","17","29","5410","","10.1039/C5CE00753D","","","1.54187","CuKα","","0.102","0.0699","","","0.1718","0.23","","","","","","1.016","","","","has coordinates","153118","2020-10-21","18:00:00",""
"7220631","6.5122","0.0006","27.61","0.02","14.0669","0.0013","90","","102.55","0.009","90","","2468.8","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2578","0.1192","","","0.3185","0.4008","","","","","","1.187","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220632","6.4776","0.0007","27.51","0.03","14.0381","0.0015","90","","102.456","0.01","90","","2443","3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2476","0.1177","","","0.317","0.3922","","","","","","1.197","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220633","6.5011","0.001","27.23","0.02","13.949","0.002","90","","102.615","0.015","90","","2409.7","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2814","0.1163","","","0.2809","0.3944","","","","","","1.01","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220634","6.538","0.003","26.99","0.14","13.93","0.005","90","","102.68","0.04","90","","2398","13","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H9.67 N2 -","- C9 H9.66667 N2 -","- C108 H116 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2291","0.0883","","","0.2049","0.2909","","","","","","1.011","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220635","6.487","0.002","26.63","0.12","13.831","0.004","90","","102.5","0.03","90","","2333","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1776","0.073","","","0.1559","0.2103","","","","","","1.043","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220641","12.8185","0.001","14.0656","0.0011","11.5956","0.0009","90","","112.133","0.001","90","","1936.6","0.3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1beta","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0611","0.0485","","","0.1391","0.153","","","","","","1.06","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220642","12.388","0.003","5.0693","0.0011","15.112","0.003","90","","94.269","0.003","90","","946.4","0.4","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1aplha","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0825","0.053","","","0.134","0.1595","","","","","","1.013","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220643","11.1497","0.0005","13.5201","0.0005","14.2594","0.0007","75.358","0.004","74.28","0.004","83.906","0.003","2000.3","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Eu F9 O11 S -","- C35 H32 Eu F9 O11 S -","- C70 H64 Eu2 F18 O22 S2 -","2","1","","Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei","Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.","Physical chemistry chemical physics : PCCP","2015","17","24","16136","16144","10.1039/c5cp01392e","","","0.71073","MoKα","","0.0741","0.0468","","","0.111","0.1314","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220644","22.453","0.002","23.9254","0.0014","19.4634","0.0017","90","","122.737","0.012","90","","8794.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Eu2 F18 O22 S4 -","- C74 H66 Eu2 F18 O22 S4 -","- C296 H264 Eu8 F72 O88 S16 -","4","0.5","","Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei","Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.","Physical chemistry chemical physics : PCCP","2015","17","24","16136","16144","10.1039/c5cp01392e","","","0.71073","MoKα","","0.1087","0.0659","","","0.1658","0.2059","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220645","8.5515","0.0014","11.72","0.003","11.059","0.002","90","","100.72","0.017","90","","1089","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O7 -","- C24 H23 N O7 -","- C48 H46 N2 O14 -","2","1","","Tiwari, Vinod K.; Mishra, Kunj B.; Mishra, Ram C.","First Noscapine Glycoconjugates inspired by Click Chemistry","RSC Adv.","2015","","","","","10.1039/C5RA07321A","","","0.71073","MoKα","","0.1587","0.1084","","","0.2392","0.2493","","","","","","1.191","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220646","6.603","0.003","8.575","0.003","14.794","0.005","90","","112.346","0.015","90","","774.7","0.5","293.2","","293.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Eu K N0 O9 S -","- C2 H2 Eu K O9 S -","- C8 H8 Eu4 K4 O36 S4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0294","0.0279","","","0.072","0.0727","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220647","6.574","0.009","8.561","0.012","14.775","0.019","90","","112.6","0.05","90","","767.7","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 K O9 S Tb -","- C2 H2 K O9 S Tb -","- C8 H8 K4 O36 S4 Tb4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0381","0.0362","","","0.1091","0.1101","","","","","","1.242","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220648","6.551","0.002","8.512","0.003","14.719","0.004","90","","112.515","0.012","90","","758.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Dy K O9 S -","- C2 H2 Dy K O9 S -","- C8 H8 Dy4 K4 O36 S4 -","4","1","","Li, Qipeng; Yuan, Zeli; Qian, Jinjie; Du, Shaowu","Chemical stability and tunable luminescence of Ln(iii)‒K(i) coordination polymers featuring a tracery-like architecture","RSC Adv.","2015","5","61","49110","","10.1039/C5RA07602A","","","0.71073","MoKα","","0.0201","0.0188","","","0.0486","0.049","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220649","12.4708","0.0005","21.9336","0.0007","12.7769","0.0004","90","","105.097","0.003","90","","3374.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Fe P4 S Si -","- C30 H50 Fe P4 S Si -","- C120 H200 Fe4 P16 S4 Si4 -","4","1","","xue, benjing; Sun, Hongjian; Li, Xiaoyan","Syntheses and Catalytic Application of Hydrido Iron(II) Complexes with [P,S]-Chelating Ligands in Hydrosilylation of Aldehydes and Ketones","RSC Adv.","2015","","","","","10.1039/C5RA09330A","","","0.71073","MoKα","","0.0282","0.024","","","0.0649","0.0662","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220650","9.174","0.0002","17.9628","0.0003","36.5293","0.0008","90","","90","","90","","6019.7","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 Fe P4 S -","- C28 H44 Fe P4 S -","- C224 H352 Fe8 P32 S8 -","8","1","","xue, benjing; Sun, Hongjian; Li, Xiaoyan","Syntheses and Catalytic Application of Hydrido Iron(II) Complexes with [P,S]-Chelating Ligands in Hydrosilylation of Aldehydes and Ketones","RSC Adv.","2015","","","","","10.1039/C5RA09330A","","","0.71073","MoKα","","0.0654","0.0498","","","0.1325","0.1463","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220651","14.5546","0.0004","15.9021","0.0004","18.4277","0.0005","65.96","0.002","71.351","0.002","73.805","0.002","3635.75","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 Fe P4 S Si -","- C30 H50 Fe P4 S Si -","- C120 H200 Fe4 P16 S4 Si4 -","4","2","","xue, benjing; Sun, Hongjian; Li, Xiaoyan","Syntheses and Catalytic Application of Hydrido Iron(II) Complexes with [P,S]-Chelating Ligands in Hydrosilylation of Aldehydes and Ketones","RSC Adv.","2015","","","","","10.1039/C5RA09330A","","","0.71073","MoKα","","0.0742","0.0412","","","0.0825","0.0904","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220652","7.1876","0.0003","10.6882","0.0004","16.6167","0.0006","90","","92.567","0.002","90","","1275.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N3 O3 S V -","- C12 H10 N3 O3 S V -","- C48 H40 N12 O12 S4 V4 -","4","1","","Dash, Subhashree Priyadarsini; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Mukhopadhyay, Subhadip; Bhutia, Sujit; Kaminsky, Werner; Sinn, Ekkehard","Oxidovanadium(V) complexes of aroylhydrazones incorporating heterocycles: Synthesis, characterization and study of DNA binding, photo-induced DNA cleavage and cytotoxic activities","RSC Adv.","2015","","","","","10.1039/C4RA14369H","","","0.71069","MoKα","","0.0295","0.0277","","","0.0745","0.0759","","","","","","1.138","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220653","7.2745","0.0002","14.3309","0.0003","16.7694","0.0004","87.92","0.1","80.07","0.1","83.41","0.1","1710.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N4 O3 V -","- C19 H15 N4 O3 V -","- C76 H60 N16 O12 V4 -","4","2","","Dash, Subhashree Priyadarsini; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Mukhopadhyay, Subhadip; Bhutia, Sujit; Kaminsky, Werner; Sinn, Ekkehard","Oxidovanadium(V) complexes of aroylhydrazones incorporating heterocycles: Synthesis, characterization and study of DNA binding, photo-induced DNA cleavage and cytotoxic activities","RSC Adv.","2015","","","","","10.1039/C4RA14369H","","","0.71069","MoKα","","0.0401","0.0328","","","0.0862","0.0908","","","","","","1.024","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7220654","12.4265","0.0002","10.8273","0.0002","12.075","0.0002","90","","90","","90","","1624.64","0.05","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 N3 O4 V -","- C16 H16 N3 O4 V -","- C64 H64 N12 O16 V4 -","4","1","","Dash, Subhashree Priyadarsini; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Mukhopadhyay, Subhadip; Bhutia, Sujit; Kaminsky, Werner; Sinn, Ekkehard","Oxidovanadium(V) complexes of aroylhydrazones incorporating heterocycles: Synthesis, characterization and study of DNA binding, photo-induced DNA cleavage and cytotoxic activities","RSC Adv.","2015","","","","","10.1039/C4RA14369H","","","1.54178","CuKα","","0.0325","0.0303","","","0.0811","0.0818","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220655","41.893","0.004","8.7854","0.001","21.729","0.002","90","","98.017","0.005","90","","7919.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N2 O6 V -","- C20 H21 N2 O6 V -","- C320 H336 N32 O96 V16 -","16","2","","Dash, Subhashree Priyadarsini; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Mukhopadhyay, Subhadip; Bhutia, Sujit; Kaminsky, Werner; Sinn, Ekkehard","Oxidovanadium(V) complexes of aroylhydrazones incorporating heterocycles: Synthesis, characterization and study of DNA binding, photo-induced DNA cleavage and cytotoxic activities","RSC Adv.","2015","","","","","10.1039/C4RA14369H","","","0.71069","MoKα","","0.08","0.0448","","","0.1057","0.1298","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220656","9.2157","0.0005","8.9944","0.0005","9.3471","0.0005","90","","107.344","0.006","90","","739.55","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(pyridin-2-carboxylidene)-1,4-diaminobutane","","- C16 H18 N4 -","- C16 H18 N4 -","- C32 H36 N8 -","2","0.5","","Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree","Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines","RSC Adv.","2015","","","","","10.1039/C5RA09562J","","","0.71073","MoKα","","0.0692","0.0445","","","0.1085","0.1214","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220657","19.379","0.005","24.584","0.005","12.3","0.005","90","0.005","90","0.005","90","0.005","5860","3","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","N,N'-bis(2-acetylpyridine)idene-1,2-diaminoethane","","- C16 H18 N4 -","- C16 H18 N4 -","- C256 H288 N64 -","16","2","","Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree","Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines","RSC Adv.","2015","","","","","10.1039/C5RA09562J","","","0.71073","MoKα","","0.1571","0.0813","","","0.1901","0.236","","","","","","1.038","","","","has coordinates","137695","2020-10-21","18:00:00",""
"7220658","8.6694","0.0004","17.8009","0.0008","12.8064","0.0006","90","","98.394","0.004","90","","1955.15","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-Bis(1-(pyrid-2-yl)ethylidene)hydrazine","","- C14 H14 N4 -","- C14 H14 N4 -","- C84 H84 N24 -","6","3","","Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree","Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines","RSC Adv.","2015","","","","","10.1039/C5RA09562J","","","0.71073","MoKα","","0.1044","0.0637","","","0.1609","0.19","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220659","8.2953","0.0002","10.6258","0.0005","12.4574","0.0004","83.389","0.006","81.479","0.003","84.419","0.004","1075.11","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0786","0.0371","","","0.0791","0.1087","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220660","8.02","0.0005","14.212","0.0006","14.6203","0.0007","104.84","0.003","97.235","0.003","93.608","0.005","1590.12","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0977","0.0531","","","0.11","0.1341","","","","","","1.072","","","","has coordinates,has disorder","153121","2020-10-21","18:00:00",""
"7220661","10.5149","0.0011","12.0894","0.0012","29.347","0.003","90","","92.74","0.008","90","","3726.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 Cu2 F8 Hg2 N6 O2 -","- C26 H32 Cu2 Hg2 N6 O2 -","- C104 H128 Cu8 Hg8 N24 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.243","0.0564","","","0.1156","0.1723","","","","","","0.629","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220662","14.6075","0.0013","8.1508","0.0012","15.9817","0.001","90","","94.662","0.007","90","","1896.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N2 O2 -","- C22 H18 Hg N2 O2 -","- C88 H72 Hg4 N8 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1268","0.0593","","","0.0889","0.1134","","","","","","0.923","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220665","16.6577","0.0014","14.6519","0.0014","16.6876","0.0014","90","","118.176","0.002","90","","3590.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cl2 Cu2 N2 O14 -","- C27 H36 Cl2 Cu2 N2 O14 -","- C108 H144 Cl8 Cu8 N8 O56 -","4","1","","Das, Debasis; Majumder, Ishani; Chakraborty, Prateeti; Das, Sudhanshu; Kara, Hulya; Chattopadhyay, Shymal Kumar; Zangrando, Ennio","Solvent dependent ligand transformation in a dinuclear copper (II) complex of a compartmental Mannich-base ligand: synthesis, characterization, bio-relevant catalytic promiscuity and magnetic study","RSC Adv.","2015","","","","","10.1039/C5RA05776K","","","0.71073","MoKα","","0.1146","0.0834","","","0.2285","0.241","","","","","","1.202","","","","has coordinates","137888","2020-10-21","18:00:00",""
"7220666","20.861","0.005","15.959","0.005","13.286","0.005","90","0.005","96.789","0.005","90","0.005","4392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N12 O8 Zn3 -","- C28 H18 N12 O8 Zn3 -","- C112 H72 N48 O32 Zn12 -","4","0.5","","Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives","RSC Adv.","2015","5","61","49606","","10.1039/C5RA05945C","","","0.71069","MoKα","","0.0666","0.047","","","0.1202","0.1273","","","","","","1.006","","","","has coordinates","137890","2020-10-21","18:00:00",""
"7220667","16.279","0.005","6.82","0.005","23.711","0.005","90","0.005","103.97","0.005","90","0.005","2555","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Br N6 O5 Zn2 -","- C18 H9 Br N6 O5 Zn2 -","- C72 H36 Br4 N24 O20 Zn8 -","4","1","","Hu, Xiao-Li; Qin, Chao; Zhao, Liang; Liu, Fu-Hong; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of Zn-metal organic frameworks based on a N-rich ligand: selective sorption for CO2and luminescence sensing of nitro explosives","RSC Adv.","2015","5","61","49606","","10.1039/C5RA05945C","","","0.71069","MoKα","","0.0619","0.055","","","0.1639","0.1691","","","","","","1.086","","","","has coordinates,has disorder","137890","2020-10-21","18:00:00",""
"7220668","16.3265","0.0002","18.2018","0.0002","26.5776","0.0003","90","","90","","90","","7898.11","0.16","173","","173","2","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","3,6-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-2,7-dimethoxycarbazole","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C400 H392 N8 O16 -","8","1","","Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.","Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles","RSC Adv.","2015","5","61","49577","","10.1039/C5RA09161F","","","0.71073","MoKα","","0.113","0.072","","0.163","0.155","0.155","","","1.07","1.163","1.163","1.158","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7220669","20.8163","0.0005","7.6277","0.0002","26.4292","0.0005","90","","91.0202","0.0015","90","","4195.78","0.17","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,7-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-3,6-dimethoxycarbazole","","- C101 H102 N2 O5 -","- C101 H102 N2 O5 -","- C202 H204 N4 O10 -","2","0.5","","Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.","Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles","RSC Adv.","2015","5","61","49577","","10.1039/C5RA09161F","","","0.71073","MoKα","","0.1674","0.0918","","","0.2235","0.2709","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220670","7.4416","0.0004","11.0214","0.0007","20.0676","0.0013","83.276","0.005","86.959","0.005","86.536","0.005","1629.82","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 B N2 Na O S2 -","- C14 H18 B N2 Na O S2 -","- C56 H72 B4 N8 Na4 O4 S8 -","4","2","","Panda, Tarun Kanti Kanti; Naktode, Kishor; Mallik, Bhabani S.; Nayek, Hari Pada; Reddy, Th Dhileep","Heavier Group 2 Metal Complexes with Flexible Scorpionate Ligand based on 2-Mercaptopyridine","RSC Adv.","2015","","","","","10.1039/C5RA04696C","","","1.54184","CuKα","","0.0776","0.073","","","0.2244","0.2314","","","","","","1.083","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7220671","11.0091","0.0012","11.72","0.0009","14.443","0.004","90","","119.4","0.016","90","","1623.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B2 N4 O2 S4 Sr -","- C28 H36 B2 N4 O2 S4 Sr -","- C56 H72 B4 N8 O4 S8 Sr2 -","2","0.5","","Panda, Tarun Kanti Kanti; Naktode, Kishor; Mallik, Bhabani S.; Nayek, Hari Pada; Reddy, Th Dhileep","Heavier Group 2 Metal Complexes with Flexible Scorpionate Ligand based on 2-Mercaptopyridine","RSC Adv.","2015","","","","","10.1039/C5RA04696C","","","0.71073","MoKα","","0.0494","0.0374","","","0.0784","0.0841","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220672","13.7544","0.0007","17.7876","0.0006","20.3426","0.0006","90","","132.543","0.002","90","","3666.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B2 Ba N4 O3 S4 -","- C32 H44 B2 Ba N4 O3 S4 -","- C128 H176 B8 Ba4 N16 O12 S16 -","4","1","","Panda, Tarun Kanti Kanti; Naktode, Kishor; Mallik, Bhabani S.; Nayek, Hari Pada; Reddy, Th Dhileep","Heavier Group 2 Metal Complexes with Flexible Scorpionate Ligand based on 2-Mercaptopyridine","RSC Adv.","2015","","","","","10.1039/C5RA04696C","","","0.71073","MoKα","","0.0459","0.0365","","","0.0596","0.0691","","","","","","1.038","","","","has coordinates","137892","2020-10-21","18:00:00",""
"7220673","13.2726","0.0008","14.2499","0.0008","13.8765","0.0008","90","","98.915","0.001","90","","2592.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O5 S -","- C30 H28 N2 O5 S -","- C120 H112 N8 O20 S4 -","4","1","","Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min","Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines","RSC Adv.","2015","5","61","49657","","10.1039/C5RA09147K","","","0.71073","MoKα","","0.0811","0.048","","","0.1222","0.144","","","","","","1.022","","","","has coordinates","137893","2020-10-21","18:00:00",""
"7220674","29.462","0.004","12.7234","0.0015","11.2553","0.0014","90","","90","","90","","4219.1","0.9","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C41 H49 Br Cl2 N2 O5 S -","- C41 H49 Br Cl2 N2 O5 S -","- C164 H196 Br4 Cl8 N8 O20 S4 -","4","1","","Lei, Yu; Zhang, Xiao-Nan; Yang, Xue-Yan; Xu, Qin; Shi, Min","Regio- and diastereoselective construction of 1′,2′-(dihydrospiro[indoline-3,3′-pyrrol]-2′-yl)acrylates through phosphine-catalyzed [4 + 1] annulation of Morita‒Baylis‒Hillman carbonates with oxindole-derived α,β-unsaturated imines","RSC Adv.","2015","5","61","49657","","10.1039/C5RA09147K","","","0.71073","MoKα","","0.1462","0.0662","","","0.1523","0.1859","","","","","","0.978","","","","has coordinates","137893","2020-10-21","18:00:00",""
"7220675","9.6476","0.0006","10.2117","0.0007","16.4488","0.0011","107.366","0.001","95.221","0.001","99.914","0.001","1505.97","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Fe2 N5 O10 -","- C33 H21 Fe2 N5 O10 -","- C66 H42 Fe4 N10 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.037","0.0331","","","0.0931","0.0959","","","","","","1.043","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220676","7.6476","0.0005","12.1053","0.0007","16.8248","0.001","90","","98.488","0.002","90","","1540.52","0.16","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C33 H21 Cu N5 O10 -","- C33 H21 Cu N5 O10 -","- C66 H42 Cu2 N10 O20 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0911","0.0645","","","0.1411","0.1531","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220677","24.5299","0.0012","12.3443","0.0006","31.5597","0.0015","90","","100.337","0.001","90","","9401.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 Co3 N18 O24 -","- C90 H64 Co3 N18 O24 -","- C360 H256 Co12 N72 O96 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0682","0.0549","","","0.1671","0.1804","","","","","","1.107","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220678","10.898","0.002","12.605","0.003","28.807","0.006","90","","96.326","0.004","90","","3933.1","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Co2 N9 O9 -","- C45 H31 Co2 N9 O9 -","- C180 H124 Co8 N36 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0628","0.0412","","","0.104","0.1243","","","","","","1.084","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220679","17.6549","0.0009","16.6017","0.0007","19.0614","0.0009","90","","112.771","0.002","90","","5151.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 Mn2 N13 O12 -","- C57 H47 Mn2 N13 O12 -","- C228 H188 Mn8 N52 O48 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0457","0.0367","","","0.0859","0.091","","","","","","1.045","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220680","8.886","0.002","18.133","0.004","13.793","0.003","90","","106.672","0.004","90","","2129","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 S2 Zn -","- C18 H19 N5 S2 Zn -","- C72 H76 N20 S8 Zn4 -","4","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.1072","0.0871","","","0.239","0.2597","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220681","9.1391","0.0005","9.3535","0.0006","22.769","0.001","97.837","0.002","91.624","0.002","96.775","0.002","1912.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N9 O0.5 Zn -","- C16 H19 N9 O0.5 Zn -","- C64 H76 N36 O2 Zn4 -","4","2","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0493","0.0349","","","0.093","0.1004","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220682","10.5195","0.0006","12.7921","0.0007","13.6828","0.0008","62.887","0.002","68.064","0.002","87.976","0.003","1499.82","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl N5 Ni O5 S -","- C29 H28 Cl N5 Ni O5 S -","- C58 H56 Cl2 N10 Ni2 O10 S2 -","2","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0803","0.0466","","","0.1188","0.1401","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220683","7.1589","0.0012","10.1414","0.0012","12.8984","0.0016","67.555","0.012","73.912","0.013","78.022","0.012","826.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N2 O6 -","- C16 H12 Cl2 Cu N2 O6 -","- C32 H24 Cl4 Cu2 N4 O12 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.1121","0.089","","","0.2181","0.2511","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220684","7.8516","0.0002","9.3769","0.0002","11.8132","0.0003","97.965","0.001","108.633","0.001","111.107","0.001","736.53","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl Cu N5 O -","- C16 H10 Cl Cu N5 O -","- C32 H20 Cl2 Cu2 N10 O2 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0261","0.024","","","0.0649","0.0662","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220685","18.2712","0.0004","10.8166","0.0004","18.3726","0.0006","90","","110.64","0.002","90","","3397.96","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C144 H136 Cl8 Cu8 N16 O24 -","8","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0292","0.0252","","","0.0692","0.0719","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220686","7.534","0.003","10.682","0.004","16.411","0.005","90","","102.32","0.03","90","","1290.3","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Tafeenko, V. A.; Nasakin, O. E.","Glycine catalyzed diastereoselective domino-synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles in water","Green Chem.","2015","17","8","4234","","10.1039/C5GC00909J","","","1.54184","CuKα","","0.0494","0.0438","","","0.1216","0.1269","","","","","","1.045","","","","has coordinates","153241","2020-10-21","18:00:00",""
"7220687","9.8585","0.0016","11.222","0.002","17.434","0.003","90","","90","","90","","1928.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Lu, Xin-Mou; Cai, Zhong-Jian; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Synthesis of 7-Hydroxy-6,7-dihydro-indole and 6',7'-Dihydro-3,7'-biindole Derivatives from Domino Reactions of Arylglyoxals or Methyl Ketones with Enamines","RSC Adv.","2015","","","","","10.1039/C5RA09478J","","","0.7107","MoKα","","0.1478","0.0897","","","0.1712","0.1924","","","","","","1.106","","","","has coordinates","138340","2020-10-21","18:00:00",""
"7220688","8.2169","0.0008","9.622","0.0009","11.5715","0.0011","65.807","0.002","72.714","0.002","89.496","0.002","790.1","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","1","","Xu, Li; Wang, Pengfei; Zhang, Juanjuan; Wu, Wei; Shi, Jianwu; Yuan, Jianfang; Wang, Hua; Han, Hui","Synthesis and Spectroscopic Properties of Propeller Typed 2,4,6-Tri(anthracen-9-yl)-1,3,5-triazine","RSC Adv.","2015","","","","","10.1039/C5RA08833J","","","0.71073","MoKα","","0.0598","0.0393","","","0.0963","0.1101","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220689","7.93","0.003","17.081","0.007","18.143","0.006","90","","104.463","0.015","90","","2379.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N3 O -","- C32 H21 N3 O -","- C128 H84 N12 O4 -","4","1","","Xu, Li; Wang, Pengfei; Zhang, Juanjuan; Wu, Wei; Shi, Jianwu; Yuan, Jianfang; Wang, Hua; Han, Hui","Synthesis and Spectroscopic Properties of Propeller Typed 2,4,6-Tri(anthracen-9-yl)-1,3,5-triazine","RSC Adv.","2015","","","","","10.1039/C5RA08833J","","","0.71073","MoKα","","0.1112","0.0508","","","0.1065","0.1318","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220690","9.3","0.003","16.864","0.005","19.266","0.005","90","","90","","90","","3021.6","1.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O6 -","- C30 H41 N3 O6 -","- C120 H164 N12 O24 -","4","1","","Pramanik, Apurba; Paikar, Arpita; HALDAR, DEBASISH","Sonication-induced instant fibrillation and fluorescent labeling of tripeptide fibers","RSC Adv.","2015","","","","","10.1039/C5RA07864D","","","0.71073","MoKα","","0.1374","0.078","","","0.1745","0.2047","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220691","6.155","0.0019","7.64","0.0018","23.508","0.007","96.36","0.03","91.92","0.03","94.01","0.03","1095","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(4-butyloxyacetophenon)azine","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio","A topotactic transition in a liquid crystal compound","CrystEngComm","2015","17","46","8864","","10.1039/C5CE00660K","","x-ray","0.71069","MoKα","","0.1056","0.0629","","","0.1608","0.1905","","","","","","1.026","","","","has coordinates,has disorder","173746","2020-10-21","18:00:00",""
"7220692","7.8241","0.0016","24.301","0.005","9.1574","0.0018","90","","93.76","0.03","90","","1737.4","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","","Xia, JIa-Ning; Yu, Bing; Guo, Chun-Xiang; He, Liang-Nian","Copper(I)/phosphine-catalyzed tandem carboxylation/annulation of terminal alkynes with ambient pressure of CO2: one-pot access to 3a-hydroxyisoxazolo[3,2-a]isoindol-8(3aH)-ones","Green Chem.","2015","","","","","10.1039/C5GC00926J","","","0.71073","MoKα","","0.066","0.0499","","","0.12","0.1305","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220693","7.5781","0.0013","13.148","0.002","14.903","0.003","71.939","0.003","78.573","0.004","82.292","0.004","1379.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5-bromo-3-hydroxy 3-(3-oxopentylindolin-2-one","5-bromo-3-hydroxy 3-(3-oxopentyl)indolin-2-one","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","2","","Meshram, Harshadas Mitaram; A., Sanjeeva Kumar; Ramesh, Palakuri; G., Santosh Kumar; Nanubolu, Jagadeesh Babu; Prabhakar Rao, Tadikamalla","Indium/Fe(III) - mediated regioselective β-cross-coupling aldol type addition reaction of activated alkenes with isatins/isatinimines in aqueous media","RSC Adv.","2015","","","","","10.1039/C5RA07216F","","","0.71073","MoKα","","0.0665","0.0443","","","0.11","0.1225","","","","","","1.023","","","","has coordinates","138459","2020-10-21","18:00:00",""
"7220694","9.4289","0.0005","9.4465","0.0005","19.5338","0.001","77.352","0.003","86.44","0.003","64.489","0.002","1531.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0919","0.0832","","","0.2114","0.2159","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220695","10.1025","0.0002","12.953","0.0003","21.3753","0.0004","104.286","0.001","99.437","0.001","102.3","0.001","2578.22","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0703","0.0556","","","0.153","0.165","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220696","8.6147","0.0006","16.5484","0.0012","9.3691","0.0007","90","","93.617","0.001","90","","1332.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0573","0.041","","","0.1037","0.1604","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220697","11.5527","0.0012","26.816","0.003","15.4979","0.0016","90","","109.134","0.002","90","","4536","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cd pyim2 PF6","","","- C34 H46 Cd F12 N14 O4 P2 -","- C34 H46 Cd F12 N14 O4 P2 -","- C136 H184 Cd4 F48 N56 O16 P8 -","4","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0735","0.0513","","","0.121","0.158","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220698","9.979","0.005","10.302","0.005","15.743","0.005","80.924","0.005","73.374","0.005","65.235","0.005","1406.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn-pyim2 td","","","- C22 H18 F12 N10 P2 Zn -","- C22 H18 F12 N10 P2 Zn -","- C44 H36 F24 N20 P4 Zn2 -","2","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71069","MoKα","","0.0582","0.0423","","","0.0925","0.1368","","","","","","1.168","","","","has coordinates","173737","2020-10-21","18:00:00",""
"7220699","11.915","0.003","8.1768","0.0018","15.913","0.004","90","","106.617","0.004","90","","1485.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Cd pyim2 PF6 NO3","","","- C22 H26 Cd F6 N11 O7 P -","- C22 H26 Cd F6 N11 O7 P -","- C44 H52 Cd2 F12 N22 O14 P2 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0476","0.0365","","","0.0833","0.1151","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220700","7.3233","0.0007","9.6646","0.0009","10.3323","0.0012","78.588","0.009","80.835","0.009","85.796","0.008","707.02","0.13","293","","293","2","","","","","","","","4","P -1","-P 1","2","mmimpic","1-methyl-3-butylimidazoliumpicrate","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C22 H22 N10 O14 -","2","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen","Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.","Physical chemistry chemical physics : PCCP","2015","17","27","18167","18177","10.1039/c5cp01944c","","","0.71073","MoKα","","0.1117","0.0653","","","0.1412","0.1668","","","","","","1.027","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7220701","6.6831","0.0007","10.6065","0.001","11.8839","0.0009","73.513","0.007","87.771","0.007","75.787","0.008","782.59","0.13","293","2","293","","","","","","","","","4","P -1","-P 1","2","pmimpic","1-Propyl-3-methylimidazoliumpicrate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen","Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.","Physical chemistry chemical physics : PCCP","2015","17","27","18167","18177","10.1039/c5cp01944c","","","0.71073","MoKα","","0.1449","0.0638","","","0.0989","0.1329","","","","","","1.013","","","","has coordinates","143767","2020-10-21","18:00:00",""
"7220702","8.2226","0.0007","9.7911","0.0007","12.1078","0.0009","85.263","0.003","72.053","0.003","75.796","0.003","898.97","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C46 H36 N4 O4 -","2","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.1936","0.0784","","","0.2248","0.2841","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220703","9.4136","0.0007","9.9725","0.0007","10.1281","0.0013","111.742","0.003","96.696","0.003","116.846","0.002","740.3","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.0737","0.0551","","","0.1347","0.1494","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220704","10.094","0.0018","11.275","0.002","17.835","0.003","90","","90","","90","","2029.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl N3 O2 -","- C23 H20 Cl N3 O2 -","- C92 H80 Cl4 N12 O8 -","4","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.1034","0.0566","","","0.1244","0.1502","","","","","","0.893","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220705","13.152","0.0011","14.8788","0.0012","19.129","0.0015","90","","90","","90","","3743.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H19 N2 O3 -","- C184 H152 N16 O24 -","8","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.1683","0.069","","","0.1674","0.2082","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220706","9.0499","0.0005","22.576","0.004","10.339","0.002","90","","95.574","0.003","90","","2102.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 Sn -","- C23 H21 N3 O2 Sn -","- C92 H84 N12 O8 Sn4 -","4","1","","Yadav, Shipra; Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Arjmand, Farukh; Tabassum, Sartaj","Synthesis and spectroscopic characterization of diorganotin(iv) complexes of N′-(4-hydroxypent-3-en-2-ylidene)isonicotinohydrazide: chemotherapeutic potential validation by in vitro interaction studies with DNA/HSA, DFT, molecular docking and cytotoxic activity","RSC Adv.","2015","5","63","50673","","10.1039/C5RA06953J","","","0.71073","MoKα","","0.0502","0.0384","","","0.0879","0.1126","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220707","4.567","0.001","11.716","0.003","26.496","0.007","90","","90","","90","","1417.7","0.6","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei","Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization","RSC Adv.","2015","","","","","10.1039/C5RA06395G","","","0.71073","MoKα","","0.1344","0.0701","","","0.1596","0.2262","","","","","","1.029","","","","has coordinates","138984","2020-10-21","18:00:00",""
"7220708","6.4502","0.0005","10.8097","0.0008","22.0781","0.0017","90","","95.457","0.004","90","","1532.4","0.2","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H13 Br N2 -","- C20 H13 Br N2 -","- C80 H52 Br4 N8 -","4","2","","Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei","Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization","RSC Adv.","2015","","","","","10.1039/C5RA06395G","","","0.71073","MoKα","","0.0901","0.0747","","","0.1724","0.1856","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220709","10.7186","0.0003","10.7186","0.0003","6.0797","0.0003","90","","90","","120","","604.91","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe0.5 Ge La3 Se7 -","- Fe0.504 Ge La3 Se7 -","- Fe1.008 Ge2 La6 Se14 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.046","0.0454","","","0.0947","0.0951","","","","","","1.026","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220710","10.5894","0.0003","10.5894","0.0003","6.3458","0.0003","90","","90","","120","","616.25","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ga La3 Mn Se7 -","- Ga La3 Mn Se7 -","- Ga2 La6 Mn2 Se14 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0255","0.024","","","0.059","0.0594","","","","","","1.124","","","","has coordinates","138985","2020-10-21","18:00:00",""
"7220711","10.638","0.0003","10.638","0.0003","6.0079","0.0003","90","","90","","120","","588.81","0.04","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ce3 Fe0.5 Se7 Si -","- Ce3 Fe0.5 Se7 Si -","- Ce6 Fe Se14 Si2 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0346","0.0337","","","0.0755","0.076","","","","","","1.101","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220712","10.6684","0.0002","10.6684","0.0002","6.0127","0.0002","90","","90","","120","","592.65","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ce3 Mn0.5 Se7 Si -","- Ce3 Mn0.5 Se7 Si -","- Ce6 Mn Se14 Si2 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0285","0.026","","","0.0607","0.0615","","","","","","1.093","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220713","10.4075","0.0004","10.4075","0.0004","5.9566","0.0004","90","","90","","120","","558.76","0.05","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe0.5 Se7 Si Sm3 -","- Fe0.5 Se7 Si Sm3 -","- Fe Se14 Si2 Sm6 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.049","0.0442","","","0.0869","0.0899","","","","","","1.006","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220714","10.3958","0.0008","10.3958","0.0008","6.0175","0.0007","90","","90","","120","","563.2","0.09","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ge Mn0.5 Se7 Sm3 -","- Ge Mn0.5 Se7 Sm3 -","- Ge2 Mn Se14 Sm6 -","2","0.333333","","He, Jianqiao; Wang, Zhe; Zhang, Xian; Cheng, Ye; Gong, Yu; Lai, Xiaofang; Chong, Zheng; Lin, Jianhua; Huang, Fu Qiang","Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M’Se7 (Ln= La, Ce, Sm; M= Fe, Mn; M’= Si, Ge) and La3MnGaSe7","RSC Adv.","2015","","","","","10.1039/C5RA05629B","","","0.71073","MoKα","","0.0685","0.0649","","","0.1432","0.1461","","","","","","1.008","","","","has coordinates","138985","2020-10-21","18:00:00",""
"7220715","24.5344","0.001","13.0252","0.0004","22.7527","0.0008","90","","104.984","0.004","90","","7023.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H86 Cu4 N4 O15 -","- C66 H86 Cu4 N4 O15 -","- C264 H344 Cu16 N16 O60 -","4","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0898","0.0547","","","0.1321","0.1537","","","","","","1.022","","","","has coordinates,has disorder","138986","2020-10-21","18:00:00",""
"7220716","20.028","0.011","15.1113","0.0005","25.249","0.004","90","","98.68","0.04","90","","7554","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 Cu4 N5 O11 -","- C76 H94 Cu4 N5 O11 -","- C304 H376 Cu16 N20 O44 -","4","1","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0727","0.0426","","","0.0935","0.1075","","","","","","1.033","","","","has coordinates,has disorder","138986","2020-10-21","18:00:00",""
"7220717","12.2105","0.0004","11.5458","0.0004","17.7582","0.0005","90","","101.407","0.003","90","","2454.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cu2 N2 O10 -","- C18 H34 Cu2 N2 O10 -","- C72 H136 Cu8 N8 O40 -","4","1","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0517","0.0359","","","0.0771","0.0853","","","","","","1.038","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220718","14.1438","0.0009","14.8853","0.0005","20.3062","0.0005","82.021","0.002","88.299","0.003","64.613","0.005","3822.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.67 H88 Cu4 N4 O14.33 -","- C70.6666 H87.9998 Cu4 N4 O14.3333 -","- C141.333 H176 Cu8 N8 O28.6666 -","2","1","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.1248","0.0736","","","0.1908","0.2288","","","","","","1.072","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220719","23.6777","0.0005","12.2318","0.0003","27.2068","0.0006","90","","113.205","0.002","90","","7242.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 Cu4 N8 O11 -","- C72 H86 Cu4 N8 O11 -","- C288 H344 Cu16 N32 O44 -","4","1","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0547","0.0388","","","0.0837","0.0914","","","","","","1.037","","","","has coordinates,has disorder","138986","2020-10-21","18:00:00",""
"7220720","14.239","0.0006","51.092","0.002","14.3358","0.0005","90","","118.806","0.003","90","","9138.7","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C350 H457 Cu16 N31 O44 -","- C350 H457 Cu16 N31 O44 -","- C350 H457 Cu16 N31 O44 -","1","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.1362","0.0777","","","0.1991","0.2448","","","","","","0.874","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220721","65.736","0.003","13.0482","0.0004","22.1089","0.0005","90","","98.395","0.002","90","","18760.4","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C178 H183 Cl6 Cu12 N17 O33 -","- C178 H183 Cl6 Cu12 N17 O33 -","- C712 H732 Cl24 Cu48 N68 O132 -","4","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0734","0.0497","","","0.1175","0.1317","","","","","","1.05","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220722","10.0099","0.0002","12.1157","0.0002","24.5154","0.0005","90","","97.487","0.002","90","","2947.81","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Cl2 Cu N4 O2 -","- C64 H76 Cl2 Cu N4 O2 -","- C128 H152 Cl4 Cu2 N8 O4 -","2","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.0801","0.0502","","","0.1126","0.1271","","","","","","1.024","","","","has coordinates,has disorder","138986","2020-10-21","18:00:00",""
"7220723","28.827","0.002","28.771","0.003","22.942","0.002","90","","120.445","0.011","90","","16404","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H88 Cl2 Cu4 N4 O11 -","- C72 H88 Cl2 Cu4 N4 O11 -","- C576 H704 Cl16 Cu32 N32 O88 -","8","1","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.1204","0.0643","","","0.1577","0.1951","","","","","","1.038","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220724","9.8597","0.0006","12.1852","0.0008","24.1112","0.0016","90","","97.5566","0.0013","90","","2871.6","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cu N4 O2 -","- C66 H82 Cu N4 O2 -","- C132 H164 Cu2 N8 O4 -","2","0.5","","Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl","Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone","RSC Adv.","2015","","","","","10.1039/C5RA08696E","","","0.71073","MoKα","","0.1074","0.0528","","","0.1035","0.1247","","","","","","1","","","","has coordinates","138986","2020-10-21","18:00:00",""
"7220725","7.891","0.002","18.77","0.005","11.594","0.003","90","","96.858","0.005","90","","1704.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 S -","- C18 H13 Br N2 O2 S -","- C72 H52 Br4 N8 O8 S4 -","4","1","","Xia, Chengcai; wei, zhenjiang; Shen, Chao; Xu, Jun; yang, yong; Su, Wei Ke; zhang, pengfei","Palladium-catalyzed direct ortho-sulfonylation of azobenzenes with arylsulfonyl chlorides via C‒H activation","RSC Adv.","2015","","","","","10.1039/C5RA06474K","","","0.71073","MoKα","","0.0842","0.063","","","0.2137","0.2243","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220726","22.103","0.003","19.932","0.003","15.101","0.002","90","","130.848","0.002","90","","5032.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O22 S4 Zn -","- C42 H48 N6 O22 S4 Zn -","- C168 H192 N24 O88 S16 Zn4 -","4","0.5","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1685","0.089","","","0.2462","0.3006","","","","","","1.017","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7220727","8.2928","0.0016","11.423","0.002","12.436","0.002","101.262","0.002","103.547","0.002","96.798","0.002","1106.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd N3 O8 S2 -","- C21 H17 Cd N3 O8 S2 -","- C42 H34 Cd2 N6 O16 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0436","0.0364","","","0.0837","0.0883","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220728","36.038","0.012","19.963","0.007","8.853","0.003","90","","95.622","0.006","90","","6338","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H73 Ag N3 O36 S2 -","- C21 H13 Ag N3 O9 S2 -","- C168 H104 Ag8 N24 O72 S16 -","8","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.2738","0.1036","","","0.2613","0.3455","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220729","7.38","0.005","20.931","0.013","16.474","0.009","90","","110.8","0.02","90","","2379","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag N3 O10 S2 -","- C21 H16 Ag N3 O10 S2 -","- C84 H64 Ag4 N12 O40 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1779","0.087","","","0.1999","0.2569","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220730","8.538","0.003","10.962","0.005","12.083","0.005","87.664","0.007","85.159","0.008","81.961","0.008","1115.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Ag2 N3 O6 S2 -","- C21 H13 Ag2 N3 O6 S2 -","- C42 H26 Ag4 N6 O12 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1042","0.0638","","","0.168","0.2","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220731","10.8904","0.0007","12.8137","0.0009","17.386","0.0011","105.159","0.001","94.273","0.001","94.113","0.001","2324.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Ag4 N6 O17 S4 -","- C42 H36 Ag4 N6 O17 S4 -","- C84 H72 Ag8 N12 O34 S8 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0878","0.0595","","","0.1697","0.2007","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220732","8.352","0.0011","11.7428","0.0016","12.3408","0.0016","100.67","0.002","101.093","0.002","97.04","0.002","1151.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N3 O8 Pb S2 -","- C21 H17 N3 O8 Pb S2 -","- C42 H34 N6 O16 Pb2 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0314","0.0281","","","0.0677","0.0689","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220733","13.784","0.003","14.323","0.003","13.791","0.003","90","","91.018","0.004","90","","2722.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O12 Pb S2 -","- C21 H25 N3 O12 Pb S2 -","- C84 H100 N12 O48 Pb4 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.109","0.0493","","","0.1019","0.1219","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220734","13.77","0.002","13.77","0.002","59.621","0.009","90","","90","","90","","11305","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H19 K N4 O12 Pb S2 -","- C21 H13 K N4 O12 Pb S2 -","- C336 H208 K16 N64 O192 Pb16 S32 -","16","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1494","0.0801","","","0.2108","0.2468","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220735","6.9472","","8.1805","","12.1722","","91.1412","","103.873","","104.55","","647.678","","","","298","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) close phase","","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","CukΑ","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220736","20.446","","16.4661","","9.3532","","90","","94.0138","","90","","3141.18","","","","169","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C2H4@DUT-8(Ni)","","","- C54 H72 N2 Ni2 O8 -","- C54 H72 N2 Ni2 O8 -","- C108 H144 N4 Ni4 O16 -","2","0.5","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220737","9.4778","","11.0657","","12.6936","","101.544","","92.0654","","100.59","","1278.46","","","","185","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) ip1","","","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220738","10.8249","0.0007","15.148","0.001","31.913","0.002","90","","98.688","0.002","90","","5172.9","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C101 H172 N10 O4 Yb2 -","- C101 H171 N10 O4 Yb2 -","- C202 H342 N20 O8 Yb4 -","2","0.5","","Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone","RSC Adv.","2015","","","","","10.1039/C5RA10151D","","","0.71075","MoKα","","0.0687","0.0575","","","0.1242","0.1326","","","","","","1.132","","","","has coordinates","139037","2020-10-21","18:00:00",""
"7220739","11.228","0.0007","11.8377","0.0007","20.1349","0.0018","86.23","0.007","82.991","0.007","64.118","0.004","2389.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H78 N5 O2 Yb -","- C46 H78 N5 O2 Yb -","- C92 H156 N10 O4 Yb2 -","2","1","","Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone","RSC Adv.","2015","","","","","10.1039/C5RA10151D","","","0.71075","MoKα","","0.061","0.0529","","","0.0992","0.1042","","","","","","1.087","","","","has coordinates","139037","2020-10-21","18:00:00",""
"7220740","12.0592","0.0016","16.234","0.002","30.021","0.004","90","","90.787","0.004","90","","5876.6","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H94 N5 O3 Si2 Y -","- C55 H92 N5 O3 Si2 Y -","- C220 H368 N20 O12 Si8 Y4 -","4","1","","Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone","RSC Adv.","2015","","","","","10.1039/C5RA10151D","","","0.71075","MoKα","","0.1677","0.122","","","0.3109","0.3494","","","","","","1.099","","","","has coordinates,has disorder","139037","2020-10-21","18:00:00",""
"7220741","20.91","0.05","9.786","0.018","28.19","0.09","90","","102.7","0.07","90","","5627","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H172 N10 O5 Si4 Y2 -","- C94 H160 N10 O5 Si4 Y2 -","- C188 H320 N20 O10 Si8 Y4 -","2","0.5","","Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi","Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone","RSC Adv.","2015","","","","","10.1039/C5RA10151D","","","0.71075","MoKα","","0.3241","0.1471","","","0.3242","0.4384","","","","","","1.045","","","","has coordinates","139037","2020-10-21","18:00:00",""
"7220742","10.70783","0.00003","10.70783","0.00003","10.70783","0.00003","90","","90","","90","","1227.73","0.006","295","","295","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Potassium Copper Germanium","","- Cu2.94 Ge43.06 K7.69 -","- Cu2.94 Ge43.06 K7.688 -","- Cu2.94 Ge43.06 K7.688 -","1","0.0208333","","Zhang, Hui; Xu, Xuguang; Li, Wei; Mu, Gang; Huang, Fu Qiang; Xie, Xiaoming","Type-I Clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)","RSC Adv.","2015","","","","","10.1039/C5RA09382A","powder diffraction","x-ray","1.5418","CuKα~1~","","0.0933","","","","","","0.0334","0.0578","1.135","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220743","10.84493","0.00003","10.84493","0.00003","10.84493","0.00003","90","","90","","90","","1275.5","0.006","295","","295","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ag2.79 Ge43.21 Rb8 -","- Ag2.79 Ge43.21 Rb8 -","- Ag2.79 Ge43.21 Rb8 -","1","0.0208333","","Zhang, Hui; Xu, Xuguang; Li, Wei; Mu, Gang; Huang, Fu Qiang; Xie, Xiaoming","Type-I Clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)","RSC Adv.","2015","","","","","10.1039/C5RA09382A","powder diffraction","x-ray","1.5418","CuKα~1~","","","","","","","","0.054","0.0536","0.46724","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220744","12.0978","0.0003","3.979","0.0001","15.5788","0.0004","90","","100.055","0.001","90","","738.4","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Parveen, Mehtab; Ahmad, Faheem; Malla, Ali Mohammed; Azaz, Shaista; Silva, Manuela Ramos; Silva, P. S. Pereira","[Et3NH][HSO4]-mediated functionalization of hippuric acid: an unprecedented approach to 4-arylidene-2-phenyl-5(4H)-oxazolones","RSC Adv.","2015","","","","","10.1039/C5RA09290F","","","0.71073","MoKα","","0.0422","0.0352","","","0.0877","0.0924","","","","","","1.04","","","","has coordinates","139039","2020-10-21","18:00:00",""
"7220745","9.874","0.0001","13.6348","0.0001","19.5627","0.0002","90","","91.566","0.0005","90","","2632.74","0.04","153","","153","","","","","","","","dichloromethane","3","P 1 21/c 1","-P 2ybc","14","","octadehydrotribenzo[14]annulene","","- C34 H20 O8 -","- C34 H20 O8 -","- C136 H80 O32 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","0.8","synchrotron","","0.049","0.0486","","","0.1341","0.1345","","","","","","1.051","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220747","24.117","0.002","10.501","0.0011","19.2996","0.0019","90","","110.243","0.002","90","","4585.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H45 N7 O5 Zn2 -","- C52 H45 N7 O5 Zn2 -","- C208 H180 N28 O20 Zn8 -","4","1","","Peng, Jing; Yang, Hai-Jian; Wei, Zidong; Guo, Cunyue","Metal Complexes Bearing 2-(Imidazole-2-yl)phenol Ligands: Synthesis, Characterization and Catalytic Performance in the Fixation of Carbon Dioxide with Epoxides","RSC Adv.","2015","","","","","10.1039/C5RA08237D","","","0.71073","MoKα","","0.0854","0.0495","","","0.1274","0.1437","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220748","9.4564","0.0013","10.03","0.0014","11.8005","0.0016","112.481","0.002","101.031","0.002","94.373","0.002","1001.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N6 O4 Zn2 -","- C46 H38 N6 O4 Zn2 -","- C46 H38 N6 O4 Zn2 -","1","0.5","","Peng, Jing; Yang, Hai-Jian; Wei, Zidong; Guo, Cunyue","Metal Complexes Bearing 2-(Imidazole-2-yl)phenol Ligands: Synthesis, Characterization and Catalytic Performance in the Fixation of Carbon Dioxide with Epoxides","RSC Adv.","2015","","","","","10.1039/C5RA08237D","","","0.71073","MoKα","","0.0411","0.0346","","","0.1132","0.1319","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220749","28.494","0.006","7.2296","0.0014","6.2594","0.0013","90","","92.33","0.03","90","","1288.4","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br N -","- C17 H12 Br N -","- C68 H48 Br4 N4 -","4","1","","Kapdi, Dr. Anant; Prajapati, Dharmendra; Schulzke, Carola; Kindermann, Markus Karl","Selective Palladium-Catalysed Arylation of 2,6-Dibromopyridine Using N-Heterocyclic Carbene Ligands","RSC Adv.","2015","","","","","10.1039/C5RA10561G","","","0.71073","MoKα","","0.0527","0.0378","","","0.0913","0.0995","","","","","","1.054","","","","has coordinates","139070","2020-10-21","18:00:00",""
"7220750","6.4697","0.0013","11.008","0.002","25.007","0.005","90","","90","","90","","1781","0.6","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Kapdi, Dr. Anant; Prajapati, Dharmendra; Schulzke, Carola; Kindermann, Markus Karl","Selective Palladium-Catalysed Arylation of 2,6-Dibromopyridine Using N-Heterocyclic Carbene Ligands","RSC Adv.","2015","","","","","10.1039/C5RA10561G","","","0.71073","MoKα","","0.0602","0.0387","","","0.08","0.0861","","","","","","0.924","","","","has coordinates","139070","2020-10-21","18:00:00",""
"7220751","5.4009","0.0002","7.3944","0.0003","31.97","0.0011","89.974","0.003","89.926","0.003","88.837","0.003","1276.5","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H43 O -","- C31 H43 O -","- C62 H86 O2 -","2","1","","Xiong, Yao; Chen, Ligong; Yin, Guohui; Yan, Xilong; Ma, Yawen","Significant effect of alkyl chain length on fluorescent thermochromism of 9,10-bis(p-alkoxystyryl)anthracenes","RSC Adv.","2015","","","","","10.1039/C5RA08809G","","","0.7107","MoKα","","0.0714","0.0509","","","0.1275","0.1406","","","","","","1.031","","","","has coordinates","139071","2020-10-21","18:00:00",""
"7220752","7.89","0.003","10.185","0.004","28.422","0.009","90","","90","","90","","2284","1.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-nitro-4-styrylbenzene","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","4","","Jha, Abadh Kishor; Kishor, Shyam; Jain, Nidhi","Aryl alkyl carbene-Pd complex assisted C-Cl bond activation: An unprecedented cross-coupling route to trans-stilbenes","RSC Adv.","2015","","","","","10.1039/C5RA06107E","","","0.71073","MoKα","","0.2395","0.0952","","","0.2011","0.2695","","","","","","0.993","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220756","11.5165","0.0009","33.108","0.003","15.349","0.0014","90","","103.074","0.006","90","","5700.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H35 N O5 Zn -","- C55 H35 N O5 Zn -","- C220 H140 N4 O20 Zn4 -","4","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.0816","0.0747","","0.1986","0.1941","0.1986","","","","","","0.9929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220757","17.128","0.008","35.003","0.016","11.62","0.005","90","","119.498","0.006","90","","6064","5","90","","90","","","","","","","","synthesized","4","C 1 2/m 1","-C 2y","12","","","","- C26 H15 O2.5 Zn0.5 -","- C26 H15 O2.5 Zn0.5 -","- C208 H120 O20 Zn4 -","8","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","0.71073","MoKα","","0.1135","0.0904","","0.2537","0.2208","0.2537","","","","","","0.9876","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220758","17.2471","0.0019","18.932","0.003","21.34","0.002","88.588","0.01","73.431","0.007","66.759","0.008","6106.1","1.4","90","","90","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H71 N4 O12 Zn2.5 -","- C117 H71 N4 O12 Zn2.5 -","- C234 H142 N8 O24 Zn5 -","2","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.2095","0.1673","","0.3903","0.3658","0.3903","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220759","9.802","0.003","9.833","0.003","12.388","0.004","85.599","0.015","70.767","0.013","67.602","0.014","1040.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br Cl N2 -","- C25 H17 Br Cl N2 -","- C50 H34 Br2 Cl2 N4 -","2","1","","Kundu, Arijit; Ganguly, Aniruddha; Dhara, Kaliprasanna; Patra, Prasanta; Guchhait, Nikhil","An efficient solvent-free synthesis of bis(indolyl)methane-based naked eye chemosensor for Cu2+ ion from β-chloro-α,β-unsaturated aldehydes using PMA-Cellulose as solid phase reusable catalyst","RSC Adv.","2015","","","","","10.1039/C5RA09802E","","","0.71073","MoKα","","0.0747","0.041","","","0.1195","0.1385","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220760","7.9614","0.0008","23.877","0.002","8.4244","0.0008","90","","109.146","0.003","90","","1512.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl Cu2 N6 O10 -","- C25 H33 Cl Cu2 N6 O10 -","- C50 H66 Cl2 Cu4 N12 O20 -","2","1","","Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction","RSC Adv.","2015","5","64","51730","","10.1039/C5RA06357D","","","0.71073","MoKα","","0.0744","0.0669","","","0.1913","0.1964","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220761","10.9647","0.0008","11.4494","0.0009","11.6578","0.0009","85.912","0.001","74.68","0.001","71.026","0.001","1334.64","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 Cu2 N5 O7 -","- C22 H29 Cl2 Cu2 N5 O7 -","- C44 H58 Cl4 Cu4 N10 O14 -","2","1","","Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction","RSC Adv.","2015","5","64","51730","","10.1039/C5RA06357D","","","0.71073","MoKα","","0.0714","0.0459","","","0.0943","0.1081","","","","","","1.032","","","","has coordinates","139125","2020-10-21","18:00:00",""
"7220762","8.3716","0.0002","11.6435","0.0003","13.1018","0.0004","86.455","0.001","88.251","0.001","69.841","0.001","1196.51","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-(methylamino)-3-nitropyrano[3,2-c]chromen-5(4H)-one","","- C23 H14 Cl4 N2 O7 -","- C23 H14 Cl4 N2 O7 -","- C46 H28 Cl8 N4 O14 -","2","1","","Kandhasamy, Subramani; Ramanathan, Giriprasath; Jayabal, Kamalraja; Balaji, Ravichandran; Narayanasamy, Mathivanan; Tirichurapalli Sivagnanam, Uma; Paramasivan Thirumalai, Perumal","Synthesis, characterization and biological evaluation of chromen and pyrano chromen-5-one derivatives impregnated into a novel collagen based scaffold for tissue engineering application","RSC Adv.","2015","","","","","10.1039/C5RA07133J","","","0.71073","MoKα","","0.0661","0.0545","","","0.1429","0.1541","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220763","8.697","0.006","25.05","0.017","11.638","0.008","90","","104.01","0.01","90","","2460","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl2 Cu4 N4 O30 -","- C32 H26 Cl2 Cu4 N4 O30 -","- C64 H52 Cl4 Cu8 N8 O60 -","2","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0466","0.0378","","","0.1074","0.1118","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220764","12.0276","0.0011","5.2148","0.0004","17.8366","0.0016","90","","91.773","0.001","90","","1118.2","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ag2(L)(NO3)]-(H2O)","","- C8 H8 Ag2 N2 O8 -","- C8 H8 Ag2 N2 O8 -","- C32 H32 Ag8 N8 O32 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0404","0.0388","","","0.099","0.1005","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220766","24.044","0.003","10.7102","0.0014","16.138","0.002","90","","110.264","0.002","90","","3898.6","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br2 N4 O18 Pb3 -","- C32 H28 Br2 N4 O18 Pb3 -","- C128 H112 Br8 N16 O72 Pb12 -","4","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0735","0.0658","","","0.2075","0.2161","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220768","15.5417","0.0014","13.3677","0.0012","20.7728","0.0019","90","","90","","90","","4315.7","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cl2 N2 O8 -","- C8 H18 Cl2 N2 O8 -","- C96 H216 Cl24 N24 O96 -","12","1.5","","chen, lizhuang; Cao, Xing-Xing; Huang, Deng-Deng; Pan, Qi-Jian","Temperature-induced reversible structural phase transition of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane bis(perchlorate)","RSC Adv.","2015","","","","","10.1039/C5RA07526B","","","0.71073","MoKα","","0.106","0.0787","","","0.1863","0.2117","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220769","13.365","0.003","15.24","0.003","20.431","0.004","90","","90.719","0.002","90","","4161.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cl6 N6 O24 -","- C24 H54 Cl6 N6 O24 -","- C96 H216 Cl24 N24 O96 -","4","1","","chen, lizhuang; Cao, Xing-Xing; Huang, Deng-Deng; Pan, Qi-Jian","Temperature-induced reversible structural phase transition of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane bis(perchlorate)","RSC Adv.","2015","","","","","10.1039/C5RA07526B","","","0.71073","MoKα","","0.0747","0.0643","","","0.1542","0.1639","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220770","13.331","0.003","15.185","0.004","20.477","0.005","90","","90.895","0.003","90","","4144.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 N2 O8 -","- C8 H18 Cl2 N2 O8 -","- C96 H216 Cl24 N24 O96 -","12","3","","chen, lizhuang; Cao, Xing-Xing; Huang, Deng-Deng; Pan, Qi-Jian","Temperature-induced reversible structural phase transition of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane bis(perchlorate)","RSC Adv.","2015","","","","","10.1039/C5RA07526B","","","0.71073","MoKα","","0.089","0.0737","","","0.1834","0.2039","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220771","13.3512","0.0011","13.3512","0.0011","7.2677","0.0008","90","","90","","90","","1295.5","0.2","293","2","293","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C24 H22 Cl5 O P Re -","- C24 H20 Cl5 O P Re -","- C48 H40 Cl10 O2 P2 Re2 -","2","","","Martinez-Lillo, Jose; Armentano, Donatella","Aquapentachlororhenate(IV): a singular and promising building block for metal assembling","RSC Adv.","2015","","","","","10.1039/C5RA10225A","","","0.71073","MoKα","","0.0813","0.0804","","","0.2639","0.2665","","","","","","1.28","","","","has coordinates","139251","2020-10-21","18:00:00",""
"7220772","25.0222","0.0005","29.7701","0.0005","7.4948","0.0001","90","","90","","90","","5582.98","0.16","173","2","173","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene'","1,4-bis[(3,3,-diphenyl-3-(3?-(tri-isopropylsylanoxy)-phenyl)-prop-1-yn-1-yl)]-2,3-difluorobenzene","","- C66 H72 F2 O2 Si2 -","- C66 H72 F2 O2 Si2 -","- C264 H288 F8 O8 Si8 -","4","0.5","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","x-ray","0.71073","MoKα","","0.1799","0.0952","","","0.2273","0.2778","","","","","","1.032","","","","has coordinates,has disorder","139252","2020-10-21","18:00:00",""
"7220773","14.119","0.004","15.494","0.005","15.319","0.005","90","","105.08","0.005","90","","3235.8","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl2 N4 O3 -","- C35 H38 Cl2 N4 O3 -","- C140 H152 Cl8 N16 O12 -","4","1","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","","0.71073","MoKα","","0.1039","0.0652","","","0.1737","0.1914","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220774","8.9512","0.00029","10.1347","0.0004","13.2279","0.0005","79.9847","0.0017","74.7185","0.0017","64.7483","0.0019","1044.36","0.07","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene acetone solvate","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene acetone solvate","","- C54 H46 O4 -","- C54 H46 O4 -","- C54 H46 O4 -","1","0.5","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","x-ray","0.71073","MoKα","","0.1387","0.0826","","","0.2174","0.2512","","","","","","1.042","","","","has coordinates,has disorder","139252","2020-10-21","18:00:00",""
"7220775","8.7172","0.0007","9.9498","0.0008","13.1689","0.0011","86.067","0.001","74.441","0.001","65.912","0.0009","1003.44","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene dimethylsulfoxide solvate","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene dimethylsulfoxide solvate","","- C52 H46 O3 S2 -","- C52 H46 O3 S2 -","- C52 H46 O3 S2 -","1","0.5","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","","0.71073","MoKα","","0.0552","0.0507","","","0.1328","0.1359","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220776","8.5248","0.001","8.5869","0.001","14.1894","0.0017","75.054","0.002","80.68","0.002","70.627","0.002","943.39","0.19","393","2","393","2","","","","","","","","3","P -1","-P 1","2","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene methanol solvate","1,4-bis-(([3-hydroxy-diphenyl]-phenylmethyl)-ethynyl)-phenylene methanol solvate","","- C48 H25 O6 -","- C50 H42 O4 -","- C50 H42 O4 -","1","0.5","","Arcos-Ramos, Rafael; Rodriguez-Molina, Braulio; Ramirez-Montes, Pedro; Gonzalez-Rodriguez, Edgar; Ochoa, Maria; Santillan, Rosa; Farfán, Norberto; Garcia-Garibay, Miguel A","Crystalline arrays of molecular rotors with TIPS-trityl and phenolic-trityl stators using phenylene, 1,2-difluorophenylene and pyridine rotators","RSC Adv.","2015","","","","","10.1039/C5RA07422C","","","0.71073","MoKα","","0.0526","0.0431","","","0.1165","0.1231","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220777","7.7818","0.0009","8.198","0.001","14.5361","0.0018","104.484","0.006","91.999","0.006","111.108","0.005","829.56","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O -","- C21 H19 N O -","- C42 H38 N2 O2 -","2","1","","Nandarapu, Kumarswamyreddy; Muthuraj, Prakash; Samydurai, Jayakumar; Venkitasamy, KESAVAN","Assembly of 3-allyl-3-ethynyl-oxindole motifs via palladium(II)-catalyzed quaternary allylation of 3-ethynyl-3-OBoc-oxindoles","RSC Adv.","2015","","","","","10.1039/C5RA07955A","","","0.71073","MoKα","","0.1017","0.066","","","0.1794","0.2017","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220778","10.2226","0.0014","12.3427","0.0015","13.1761","0.0018","90","","100.86","0.003","90","","1632.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Nandarapu, Kumarswamyreddy; Muthuraj, Prakash; Samydurai, Jayakumar; Venkitasamy, KESAVAN","Assembly of 3-allyl-3-ethynyl-oxindole motifs via palladium(II)-catalyzed quaternary allylation of 3-ethynyl-3-OBoc-oxindoles","RSC Adv.","2015","","","","","10.1039/C5RA07955A","","","0.71073","MoKα","","0.094","0.0507","","","0.1251","0.1531","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220779","8.5479","0.0003","10.8667","0.0005","12.2056","0.0006","109.155","0.003","101.187","0.002","100.463","0.002","1013.16","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 I2 N O -","- C21 H19 I2 N O -","- C42 H38 I4 N2 O2 -","2","1","","Nandarapu, Kumarswamyreddy; Muthuraj, Prakash; Samydurai, Jayakumar; Venkitasamy, KESAVAN","Assembly of 3-allyl-3-ethynyl-oxindole motifs via palladium(II)-catalyzed quaternary allylation of 3-ethynyl-3-OBoc-oxindoles","RSC Adv.","2015","","","","","10.1039/C5RA07955A","","","0.71073","MoKα","","0.0415","0.03","","","0.0657","0.0726","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220780","24.385","0.005","5.333","0.0011","19.745","0.004","90","","92.23","0.03","90","","2565.8","0.9","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","gliomasolide B","","- C24 H42 O10 -","- C24 H42 O10 -","- C96 H168 O40 -","4","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.5418","CuKα","","0.0385","0.0371","","","0.0966","0.0982","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220781","5.42511","0.00018","7.6161","0.0002","21.7672","0.0008","90","","91.546","0.003","90","","899.05","0.05","99.9","0.4","99.9","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","gliomasolide A","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.5418","CuKα","","0.0457","0.0445","","","0.1137","0.1151","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220782","26.5127","0.0008","5.33762","0.00015","16.6627","0.0005","90","","91.282","0.003","90","","2357.43","0.12","99.9","0.5","99.9","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","gliomasolide C","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai","Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2","RSC Adv.","2015","","","","","10.1039/C5RA08559D","","x-ray","1.54184","CuKα","","0.0447","0.0393","","","0.1","0.1043","","","","","","1.004","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220783","21.779","0.011","4.904","0.002","27.269","0.012","90","","97.075","0.008","90","","2890","2","153","2","153","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 -","- C44 H32 -","- C176 H128 -","4","0.5","","Rahman, Shofiur; Zein, Ahmed; Dawe, Louise N.; Shamov, Grigory; Thordarson, Pall; Georghiou, Paris Elias","Supramolecular host-guest complexation of Lash's calix[4]azulene with tetraalkylammonium salts: binding and DFT computational studies","RSC Adv.","2015","","","","","10.1039/C5RA07802D","","","0.71075","MoKα","","0.0751","0.0658","","","0.1361","0.1415","","","","","","1.179","","","","has coordinates","139285","2020-10-21","18:00:00",""
"7220784","7.3986","0.0004","10.6152","0.0006","24.7372","0.0014","89.262","0.005","85.726","0.005","79.991","0.005","1907.91","0.19","143","0.1","143","0.1","","","","","","","","4","P 1","P 1","1","","[C1mim]NAT","","- C5 H10 N9 O2 -","- C5 H10 N9 O2 -","- C40 H80 N72 O16 -","8","8","","Gao, Yi-Fei; Zhang, Lei; He, Ling; Zhao, Ying; Tang, Ning; Yuan, Wen-Li; Tao, Guo-Hong","Insensitive Energetic 5-Nitroaminotetrazolate Ionic Liquids","RSC Adv.","2015","","","","","10.1039/C5RA07415K","","","0.7107","MoKα","","0.0817","0.044","","","0.1207","0.152","","","","","","1.01","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7220785","21.5654","0.0011","21.5654","0.0011","13.0149","0.0008","90","","90","","90","","6052.8","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H28 Mn N4 O6 V2 -","- C26 H28 Mn N4 O6 V2 -","- C208 H224 Mn8 N32 O48 V16 -","8","0.5","","Li, Xiao; Yang, Liu; Qin, Chao; Liu, Fu-Hong; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","POM-based inorganic-organic hybrid compounds: synthesis, structures, high-connected topologies and photodegradation of Organic dyes","RSC Adv.","2015","","","","","10.1039/C5RA09339B","","","0.71073","MoKα","","0.0551","0.0393","","","0.1089","0.1173","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220786","12.382","0.003","9.697","0.002","25.365","0.006","90","","92.003","0.004","90","","3043.7","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C52 H56 Ag4 N8 O15 V4 -","- C52 H56 Ag4 N8 O15 V4 -","- C104 H112 Ag8 N16 O30 V8 -","2","0.5","","Li, Xiao; Yang, Liu; Qin, Chao; Liu, Fu-Hong; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","POM-based inorganic-organic hybrid compounds: synthesis, structures, high-connected topologies and photodegradation of Organic dyes","RSC Adv.","2015","","","","","10.1039/C5RA09339B","","","0.71073","MoKα","","0.128","0.0665","","","0.1537","0.189","","","","","","0.937","","","","has coordinates","139311","2020-10-21","18:00:00",""
"7220787","13.081","0.003","16.379","0.004","15.407","0.004","90","","102.368","0.005","90","","3224.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N8 Ni3 O24 V6 -","- C52 H64 N8 Ni3 O24 V6 -","- C104 H128 N16 Ni6 O48 V12 -","2","0.5","","Li, Xiao; Yang, Liu; Qin, Chao; Liu, Fu-Hong; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","POM-based inorganic-organic hybrid compounds: synthesis, structures, high-connected topologies and photodegradation of Organic dyes","RSC Adv.","2015","","","","","10.1039/C5RA09339B","","","0.71073","MoKα","","0.0632","0.0376","","","0.0844","0.0968","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220788","13.1897","0.0016","16.438","0.002","15.4725","0.0019","90","","102.345","0.002","90","","3277.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 N8 O24 V6 Zn3 -","- C52 H64 N8 O24 V6 Zn3 -","- C104 H128 N16 O48 V12 Zn6 -","2","0.5","","Li, Xiao; Yang, Liu; Qin, Chao; Liu, Fu-Hong; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","POM-based inorganic-organic hybrid compounds: synthesis, structures, high-connected topologies and photodegradation of Organic dyes","RSC Adv.","2015","","","","","10.1039/C5RA09339B","","","0.71073","MoKα","","0.0946","0.0557","","","0.1431","0.1667","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220789","10.001","0.004","10.607","0.003","12.239","0.004","76.315","0.016","71.86","0.02","73.22","0.02","1165.8","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","2-cyclohexylisothiazolo[5,4-b]pyridin-3(2H)-one","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","2","","Tan, Xiaochen; Du, Yanan; Yang, Bingchuan; ma, chen","Novel type of AIE material as highly selective fluorenscent sensor for the detection of cysteine","RSC Adv.","2015","","","","","10.1039/C5RA06244F","","","1.54178","CuKα","","0.0464","0.0394","","","0.1128","0.1201","","","","","","1.055","","","","has coordinates","139313","2020-10-21","18:00:00",""
"7220790","7.6885","0.0002","19.3149","0.0004","40.8677","0.0009","90","","90","","90","","6069","0.2","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C240 H304 O48 -","8","2","","Yang, Yong-xun; Gao, Shuang; Zhang, Shoude; Zu, Xian-peng; Shen, Yunheng; Shan, Lei; Li, Hui-Liang; Zhang, Weidong","Cytotoxic 2, 4-Linked Sesquiterpene Lactone Dimers from Carpesium faberi Exhibiting NF-κB Inhibitory Activity","RSC Adv.","2015","","","","","10.1039/C5RA09243D","","","1.54178","CuKα","","0.073","0.0551","","","0.1665","0.1882","","","","","","0.761","","","","has coordinates","139314","2020-10-21","18:00:00",""
"7220791","6.8849","0.0006","19.6618","0.0016","6.4413","0.0005","90","","90","","90","","871.96","0.12","293","2","293","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C6 H8 N Na O5 -","- C6 H8 N Na O5 -","- C24 H32 N4 Na4 O20 -","4","0.5","","Kumar, Binay; Dalal, Jyoti; Sinha, Nidhi; Yadav, Harsh","Structural, electrical, ferroelectric and mechanical properties with Hirshfeld surface analysis of novel NLO semiorganic sodium p-nitrophenolate dihydrate piezoelectric single crystal","RSC Adv.","2015","","","","","10.1039/C5RA10501C","","","0.71073","MoKα","","0.0294","0.0289","","","0.0723","0.0727","","","","","","1.05","","","","has coordinates","139315","2020-10-21","18:00:00",""
"7220792","6.2979","0.0018","6.2979","","4.4984","0.001","90","","90","","120","","154.52","0.06","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- C2 Li2 Te -","- C2 Li2 Te -","- C2 Li2 Te -","1","0.0833333","","Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor","The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2","RSC Adv.","2015","","","","","10.1039/C5RA08983B","powder diffraction","x-ray","1.54063","Kα~1~","","","","","","","","0.7934","","2.24","","","","","","","has coordinates","139316","2020-10-21","18:00:00",""
"7220793","5.8727","0.0007","5.8727","","5.874","0.004","90","","90","","90","","202.59","0.14","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- C2 Na2 Te -","- C2 Na2 Te -","- C4 Na4 Te2 -","2","0.0625","","Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor","The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2","RSC Adv.","2015","","","","","10.1039/C5RA08983B","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","139316","2020-10-21","18:00:00",""
"7220794","6.551","0.011","6.551","","12.771","0.025","90","","90","","90","","548.1","1.4","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor","The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2","RSC Adv.","2015","","","","","10.1039/C5RA08983B","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7220795","12.7448","0.001","12.7563","0.0009","16.1414","0.0012","78.129","0.001","74.374","0.001","83.622","0.001","2468.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H80 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0613","0.0522","","","0.1337","0.1393","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220796","12.7304","0.0005","13.0108","0.0005","15.9909","0.0006","75.315","0.001","74.399","0.001","76.075","0.001","2425.05","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0923","0.0942","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220797","12.7569","0.0012","13.068","0.0012","16.02","0.0015","75.273","0.001","74.405","0.001","75.971","0.001","2444","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Dy2 Fe4 H92 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0566","0.0503","","","0.1271","0.1312","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220798","12.7131","0.0016","12.9743","0.0017","15.96","0.002","75.09","0.002","74.312","0.002","75.818","0.002","2405.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0522","0.0432","","","0.1106","0.1157","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220799","12.7178","0.0005","13.005","0.0005","15.9829","0.0006","75.204","0.001","74.375","0.001","75.946","0.001","2418","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0599","0.0549","","","0.145","0.1493","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220800","22.5048","0.0015","13.6765","0.0009","30.833","0.002","90","","97.187","0.001","90","","9415.4","1.1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C120 H240 Cu4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0716","0.0438","","","0.0906","0.1091","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220801","22.585","0.012","13.697","0.007","30.282","0.015","90","","97.645","0.008","90","","9284","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C120 H240 Fe4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71","MoKα","","0.0769","0.0514","","","0.087","0.1096","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220802","22.948","0.012","13.853","0.007","30.672","0.015","90","","97.682","0.008","90","","9663","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C120 H264 Mo72 N48 O328 P24 Sr4 Zn4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0653","0.046","","","0.0959","0.1109","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220803","22.648","0.007","13.534","0.004","30.225","0.009","90","","97.733","0.005","90","","9180","5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C120 H264 Mo72 N48 Ni4 O328 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0652","0.0514","","","0.101","0.092","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220804","23.293","0.016","14.056","0.01","31.34","0.02","90","","97.651","0.012","90","","10170","12","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C120 H248 Co4 Mo72 N48 O320 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.051","0.0386","","","0.0898","0.0953","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220805","17.9015","0.0003","9.353","0.0002","19.7128","0.0004","90","","90","","90","","3300.57","0.11","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cu F6 N8 O8 S2 -","- C28 H24 Cu F6 N8 O8 S2 -","- C112 H96 Cu4 F24 N32 O32 S8 -","4","0.5","","Sangtrirutnugul, Preeyanuch; Thongkam, Pech; Jindabot, Sudarat; Prabpai, Samran; Kongsaeree, Palangpon; Wittisuwannakul, Taveechai; Surawatanawong, Panida","Pyridine‒Triazole Ligands for Copper‒Catalyzed Aerobic Alcohol Oxidation","RSC Adv.","2015","","","","","10.1039/C5RA06933E","","","0.71073","MoKα","","0.0722","0.0574","","","0.1429","0.151","","","","","","1.052","","","","has coordinates","139397","2020-10-21","18:00:00",""
"7220806","8.6034","0.0003","9.2137","0.0004","11.0129","0.0005","111.653","0.002","92.753","0.002","102.528","0.002","784.13","0.06","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 Cu F6 N10 O6 S2 -","- C26 H18 Cu F6 N10 O6 S2 -","- C26 H18 Cu F6 N10 O6 S2 -","1","0.5","","Sangtrirutnugul, Preeyanuch; Thongkam, Pech; Jindabot, Sudarat; Prabpai, Samran; Kongsaeree, Palangpon; Wittisuwannakul, Taveechai; Surawatanawong, Panida","Pyridine‒Triazole Ligands for Copper‒Catalyzed Aerobic Alcohol Oxidation","RSC Adv.","2015","","","","","10.1039/C5RA06933E","","","0.71073","MoKα","","0.0422","0.0393","","","0.1289","0.1342","","","","","","1.139","","","","has coordinates","139397","2020-10-21","18:00:00",""
"7220807","10.0099","0.0003","13.954","0.0005","18.8133","0.0008","90","","100.12","0.0014","90","","2586.93","0.16","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C88 H64 Cu4 F24 N16 O24 S8 -","4","0.5","","Sangtrirutnugul, Preeyanuch; Thongkam, Pech; Jindabot, Sudarat; Prabpai, Samran; Kongsaeree, Palangpon; Wittisuwannakul, Taveechai; Surawatanawong, Panida","Pyridine‒Triazole Ligands for Copper‒Catalyzed Aerobic Alcohol Oxidation","RSC Adv.","2015","","","","","10.1039/C5RA06933E","","","0.71073","MoKα","","0.0631","0.0543","","","0.1427","0.1553","","","","","","1.047","","","","has coordinates","139397","2020-10-21","18:00:00",""
"7220808","7.9698","0.0004","9.7137","0.0005","10.377","0.0005","116.863","0.001","107.286","0.001","95.696","0.001","658.07","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0275","0.0259","","","0.0664","0.0674","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220809","7.9987","0.0006","9.813","0.0006","10.4856","0.0006","116.667","0.004","107.471","0.004","95.656","0.004","674.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 Nd O9 -","- C9 H13 N4 Nd O9 -","- C18 H26 N8 Nd2 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0282","0.0273","","","0.0701","0.0707","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220810","7.9812","0.0003","9.7491","0.0004","10.4153","0.0004","116.803","0.001","107.37","0.001","95.67","0.001","663.93","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0225","0.021","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220811","7.9849","0.0016","9.783","0.002","10.443","0.002","116.75","0.03","107.36","0.03","95.71","0.03","668.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 O9 Sm -","- C9 H13 N4 O9 Sm -","- C18 H26 N8 O18 Sm2 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0365","0.0341","","","0.0768","0.0774","","","","","","1.572","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220812","7.9767","0.0005","9.7325","0.0005","10.3966","0.0006","116.821","0.001","107.333","0.001","95.669","0.001","661.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Gd N4 O9 -","- C9 H13 Gd N4 O9 -","- C18 H26 Gd2 N8 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0295","0.0284","","","0.0746","0.0754","","","","","","1.038","","","","has coordinates","153111","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220814","9.8747","0.0008","6.7895","0.0006","17.9044","0.0015","90","","101.958","0.001","90","","1174.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cd2 N13 O -","- C6 H7 Cd2 N13 O -","- C24 H28 Cd8 N52 O4 -","4","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.063","0.0488","","","0.1028","0.1183","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7220817","25.319","0.005","14.309","0.003","7.0137","0.0014","90","","96.379","0.003","90","","2525.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N10 O8 Zn3 -","- C18 H12 N10 O8 Zn3 -","- C72 H48 N40 O32 Zn12 -","4","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0447","0.0326","","","0.0691","0.073","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220818","7.3781","0.0013","13.574","0.002","13.578","0.002","113.181","0.002","103.841","0.002","90.952","0.002","1204.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23.65 Cd9 N30 O21.83 -","- C18 H23.656 Cd9 N30 O21.828 -","- C18 H23.656 Cd9 N30 O21.828 -","1","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0467","0.0346","","","0.0764","0.0844","","","","","","1.035","","","","has coordinates","153096","2020-10-21","18:00:00",""
"7220819","16.852","0.002","17.116","0.002","9.7103","0.0014","90","","118.683","0.002","90","","2457.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N5 O3 Zn -","- C8 H9 N5 O3 Zn -","- C64 H72 N40 O24 Zn8 -","8","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0506","0.0453","","","0.1552","0.1601","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220820","15.023","0.002","10.1643","0.0013","18.196","0.003","90","","114.233","0.002","90","","2533.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O11 Zn2 -","- C20 H22 N2 O11 Zn2 -","- C80 H88 N8 O44 Zn8 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0403","0.0319","","","0.0731","0.0788","","","","","","1.048","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220821","5.8438","0.0013","12.088","0.003","15.288","0.003","90","","99.975","0.005","90","","1063.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 N O5 Zn -","- C10 H10 N O5 Zn -","- C40 H40 N4 O20 Zn4 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0482","0.0363","","","0.0837","0.0922","","","","","","1.103","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220822","12.956","0.002","9.8991","0.001","16.96","0.002","90","","109.75","0.002","90","","2047.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 N2 Ni O8 -","- C16 H22 N2 Ni O8 -","- C64 H88 N8 Ni4 O32 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0422","0.033","","","0.0812","0.0879","","","","","","1.058","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220823","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220825","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220826","6.046","0.003","6.82","0.003","9.086","0.004","83.37","0.007","81.332","0.007","68.356","0.006","343.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.024","0.0236","","","0.0626","0.0632","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220827","22.145","0.007","5.6942","0.0018","11.621","0.004","90","","98.19","0.006","90","","1450.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C24 H32 Fe4 N40 O8 S8 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0313","0.0292","","","0.0734","0.0747","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220828","7.3937","0.0008","8.198","0.0009","12.7674","0.0014","76.242","0.002","74.662","0.002","86.512","0.002","724.9","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Br Fe0.5 N12 O3 -","- C6 H12 Br Fe0.5 N12 O3 -","- C12 H24 Br2 Fe N24 O6 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0389","0.0338","","","0.0867","0.0896","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220829","12.2481","0.0013","5.6785","0.0006","17.9506","0.0018","90","","106.572","0.002","90","","1196.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N10 S2 Zn -","- C6 H4 N10 S2 Zn -","- C24 H16 N40 S8 Zn4 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0208","0.0201","","","0.0503","0.0511","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220830","7.4935","0.0006","7.8714","0.0006","12.2388","0.001","72.325","0.001","83.164","0.001","82.913","0.001","680.02","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N10 O0.5 S2 Zn -","- C6 H4 N10 O0.5 S2 Zn -","- C12 H8 N20 O S4 Zn2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0339","0.0304","","","0.0772","0.0791","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220831","7.94","0.004","8.039","0.004","12.89","0.007","100.729","0.007","107.661","0.007","91.364","0.008","767.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.1114","0.0763","","","0.1919","0.2141","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220832","8.2723","0.0012","20.345","0.003","8.6343","0.0011","90","","92.36","0.002","90","","1451.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 Cu F8 N24 O2 -","- C12 H16 B2 Cu F8 N24 O2 -","- C24 H32 B4 Cu2 F16 N48 O4 -","2","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.034","0.0304","","","0.0744","0.0764","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220833","10.678","0.0006","13.448","0.0008","14.015","0.0008","105.587","0.001","102.566","0.001","93.589","0.0011","1876.32","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H64 Cr2 Cu3 Mo12 N12 O64 -","- C26 H28 Cr2 Cu3 Mo12 N12 O64 -","- C26 H28 Cr2 Cu3 Mo12 N12 O64 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan","Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes","RSC Adv.","2015","","","","","10.1039/C5RA09529H","","","0.71069","MoKα","","0.0554","0.0412","","","0.1056","0.1112","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220834","10.6557","0.0004","13.8735","0.0006","17.0837","0.0007","90","","99.723","0.001","90","","2489.24","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu Mo4 N6 O16 -","- C13 H14 Cu Mo4 N6 O16 -","- C52 H56 Cu4 Mo16 N24 O64 -","4","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan","Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes","RSC Adv.","2015","","","","","10.1039/C5RA09529H","","","0.71073","MoKα","","0.0237","0.0201","","","0.0491","0.0503","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220835","11.4981","0.0011","11.7035","0.0011","13.2243","0.0013","64.013","0.002","89.207","0.002","83.681","0.002","1588.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Cu2 Mo12 N12 O48 P -","- C26 H24 Cu2 Mo12 N12 O48 P -","- C26 H24 Cu2 Mo12 N12 O48 P -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan","Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes","RSC Adv.","2015","","","","","10.1039/C5RA09529H","","","0.71073","MoKα","","0.0651","0.0503","","","0.142","0.1501","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220836","11.3935","0.0006","11.8235","0.0006","13.0713","0.0006","63.679","0.001","88.765","0.001","82.966","0.001","1565.35","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 Cu2 Mo12 N12 O48 Si -","- C26 H28 Cu2 Mo12 N12 O48 Si -","- C26 H28 Cu2 Mo12 N12 O48 Si -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan","Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes","RSC Adv.","2015","","","","","10.1039/C5RA09529H","","","0.71073","MoKα","","0.0674","0.0607","","","0.1602","0.1699","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220837","12.3112","0.0007","12.744","0.0008","13.6911","0.0009","110.973","0.001","95.136","0.001","117.428","0.001","1694.34","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cu2 Mo12 N12 O46 Si -","- C16 H18 Cu Mo6 N6 O23 Si0.5 -","- C32 H36 Cu2 Mo12 N12 O46 Si -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Han, Na; Luan, Jian; Chang, Zhihan","Application of flexible bis-pyrazine-bis-amide ligands to construct various polyoxometalate-based metal-organic complexes","RSC Adv.","2015","","","","","10.1039/C5RA09529H","","","0.71073","MoKα","","0.0687","0.0641","","","0.1951","0.198","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220838","16.6948","0.0007","7.1386","0.0004","23.0042","0.0012","90","","90","","90","","2741.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Z)-(1-naphthyl)((2-ethoxycarbonylvinyl)telluride","(Z)-Ethyl 2-(1-naphthyltelluro)acrylate","","- C15 H14 O2 Te -","- C15 H14 O2 Te -","- C120 H112 O16 Te8 -","8","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0736","0.0524","","","0.0942","0.1047","","","","","","1.068","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220839","5.63177","0.00009","15.3211","0.0003","15.0625","0.0003","90","","98.5658","0.0019","90","","1285.17","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-(mesityl)(2-methoxycarbonylvinyl)telluride","(Z)-Methyl 2-(2',4',6'-trimethylphenylltelluro)acrylate","","- C13 H16 O2 Te -","- C13 H16 O2 Te -","- C52 H64 O8 Te4 -","4","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0481","0.0334","","","0.0716","0.0799","","","","","","1.082","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220840","7.4608","0.0002","10.2199","0.0003","18.945","0.0007","88.279","0.003","86.598","0.003","79.657","0.002","1418.28","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O2 Te -","- C14 H18 O2 Te -","- C56 H72 O8 Te4 -","4","2","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0584","0.0405","","","0.0846","0.097","","","","","","1.035","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220841","7.969","0.005","5.535","0.005","14.965","0.005","90","","103.239","0.005","90","","642.5","0.7","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","(Z)-((4-(N,N-dimethyl)phenyl)(2-methoxycarbonylvinyl)telluride","(Z)-Methyl 2-(4'-(N,N-dimethyl)phenyltelluro)acrylate","","- C12 H15 N O2 Te -","- C12 H15 N O2 Te -","- C24 H30 N2 O4 Te2 -","2","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0397","0.0317","","","0.0557","0.0607","","","","","","0.992","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220842","8.6633","0.0003","11.3506","0.0003","14.3428","0.0005","90","","103.46","0.003","90","","1371.64","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Z)-((4-(N,N-dimethyl)phenyl)(2-ethoxycarbonylvinyl)telluride","(Z)-Ethyl 2-(4'-(N,N-dimethyl)phenyltelluro)acrylate","","- C13 H17 N O2 Te -","- C13 H17 N O2 Te -","- C52 H68 N4 O8 Te4 -","4","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0451","0.031","","","0.0643","0.0718","","","","","","1.071","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220843","6.2387","0.0002","12.7873","0.0005","18.0003","0.0008","90","","93.021","0.004","90","","1434","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-((4-(N,N-dimethyl)phenyl)(2-ethoxycarbonylvinyl)telluride","(E)-Ethyl 2-(4'-(N,N-dimethyl)phenyltelluro)acrylate","","- C13 H17 N O2 Te -","- C13 H17 N O2 Te -","- C52 H68 N4 O8 Te4 -","4","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0533","0.0391","","","0.0796","0.0865","","","","","","1.128","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220844","17.9956","0.0006","10.948","0.0003","15.7185","0.0005","90","","109.94","0.003","90","","2911.14","0.17","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(Z)-((2,4,6-trimethylphenyl)(2-phenylvinyl)telluride","","- C17 H18 Te -","- C17 H18 Te -","- C136 H144 Te8 -","8","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","1.54184","CuKα","","0.0356","0.0329","","","0.0844","0.0866","","","","","","1.077","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220845","9.7269","0.0019","7.7811","0.0015","28.607","0.005","90","","95.907","0.004","90","","2153.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Liu, Xiao-Yuan; Long, Yi-Tao; Tian, He","New Insight into the Photo-induced Electron Transfer with a Simple Ubiquinone-based Triphenylamine Model","RSC Adv.","2015","","","","","10.1039/C5RA09324D","","","0.71073","MoKα","","0.0653","0.0497","","","0.1198","0.1291","","","","","","1.027","","","","has coordinates,has disorder","139541","2020-10-21","18:00:00",""
"7220846","11.6565","0.0009","5.2736","0.0004","13.0287","0.001","90","","103.783","0.006","90","","777.83","0.11","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Echeverria, Pierre-Georges; Cornil, Johan; Ferard, Charlene; Guérinot, Amandine; Cossy, Janine; Phansavath, Phannarath; Vidal, Virginie","Asymmetric transfer hydrogenation of α-amino β-keto ester hydrochlorides through dynamic kinetic resolution","RSC Adv.","2015","","","","","10.1039/C5RA10385A","","","1.54178","CuKα","","0.0652","0.0511","","0.1231","0.1113","0.1231","","","","","","0.9841","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220847","22.777","0.005","25.033","0.005","25.074","0.005","119.76","0.03","93.5","0.03","92.99","0.03","12332","6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H72 Cu6 O42 -","- C108 H72 Cu6 O42 -","- C216 H144 Cu12 O84 -","2","1","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.1253","0.0975","","","0.2626","0.2959","","","","","","1.038","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220848","12.079","0.002","12.382","0.003","12.568","0.003","99.99","0.03","96","0.03","91.29","0.03","1839.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","1","0.5","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.131","0.0967","","","0.2757","0.3012","","","","","","1.055","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220849","18.225","0.009","18.225","0.009","9.896","0.005","90","","90","","90","","3287","3","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C176 H144 N16 -","8","0.5","","Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.","Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.","Physical chemistry chemical physics : PCCP","2015","17","29","19465","19473","10.1039/c5cp02400e","","","0.71075","MoKα","","0.102","0.1","","","0.1948","0.1958","","","","","","1.338","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220850","8.44","0.002","9.676","0.002","10.316","0.003","75.506","0.009","87.977","0.011","79.212","0.009","801.2","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C44 H36 N4 -","2","1","","Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.","Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.","Physical chemistry chemical physics : PCCP","2015","17","29","19465","19473","10.1039/c5cp02400e","","","0.71075","MoKα","","0.089","0.0876","","","0.231","0.2317","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220851","5.29961","0.00011","5.29961","0.00011","11.70466","0.0003","90","","90","","90","","328.736","0.013","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.26","1.652","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220852","5.30206","0.00013","5.30206","0.00013","11.71178","0.00037","90","","90","","90","","329.24","0.015","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.55","1.716","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220853","5.29843","0.00013","5.29843","0.00013","11.71297","0.00037","90","","90","","90","","328.822","0.015","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.65","1.607","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220854","5.33701","0.00026","5.33701","0.00026","11.82903","0.00062","90","","90","","90","","336.93","0.03","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ca La2 Mo4 O16 -","- Ca La2 Mo4 O16 -","- Ca La2 Mo4 O16 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.6","1.737","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220855","5.303003","0.000089","5.303003","0.000089","11.71619","0.00024","90","","90","","90","","329.481","0.01","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.6","1.509","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220856","8.701","0.003","10.496","0.004","12.077","0.005","90","","91.9","0.005","90","","1102.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 I N2 O -","- C8 H15 I N2 O -","- C32 H60 I4 N8 O4 -","4","1","","Li, Juan; Wang, Zhongsheng","Lithium-Coordinating Ionic Conductor for Solid-State Dye-Sensitized Solar Cells","RSC Adv.","2015","","","","","10.1039/C5RA09688J","","","0.71073","MoKα","","0.0391","0.0344","","","0.0831","0.0856","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220857","18.5686","0.001","5.9732","0.0004","20.0793","0.0015","90","","90","","90","","2227.1","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","TNE-FDNA","2,2,2-trinitroethyl 2-fluoro-2,2-dinitroethylamine","","- C4 H5 F N6 O10 -","- C4 H5 F N6 O10 -","- C32 H40 F8 N48 O80 -","8","2","","Zhai, Lian-jie; Fan, Xuezhong; Wang, Bozhou; Bi, Fuqiang; Li, Yanan; Zhu, Yanlong","A “Green” High-initiation-power Primary Explosive: Synthesis, 3D Structure and Energetic Properties of Dipotassium 3,4-Bis(3-dinitromethylfurazan-4-oxy)furazan","RSC Adv.","2015","","","","","10.1039/C5RA09822J","","","0.71073","MoKα","","0.0576","0.041","","","0.0856","0.0952","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220858","9.6703","0.0001","14.3513","0.0002","9.5744","0.0001","90","","94.261","0.001","90","","1325.08","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-ethyl-2,3-dimethylimidazolium tetrachloroferrate","","","- C7 H13 Cl4 Fe N2 -","- C7 H13 Cl4 Fe N2 -","- C28 H52 Cl16 Fe4 N8 -","4","1","","Garcia Saiz, Abel; de Pedro, Imanol; Vallcorba, Oriol; Migowski, Pedro; Campo, Ignacio; Fernandez Barquin, Luis; Abrahams, I.; Motevalli, Majid; Dupont, Jairton; Gonzalez, Jesus Antonio; Rogriguez, Jesus","1-ethyl-2,3-dimethylimidazolium paramagnetic ionic liquids with 3D magnetic ordering in its solid state: synthesis, structure and magneto-structural correlations","RSC Adv.","2015","","","","","10.1039/C5RA05723J","powder diffraction","","0.6193","Synchrotron","","","","","","","","","0.042","6.13","","","","","","","has coordinates","139639","2020-10-21","18:00:00",""
"7220859","8.0157","0.0009","25.291","0.003","11.9431","0.0015","90","","92.129","0.007","90","","2419.5","0.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H32 Ga N S2 -","- C25 H32 Ga N S2 -","- C100 H128 Ga4 N4 S8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.0698","0.0458","","","0.1032","0.1129","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220860","11.6396","0.0007","14.2359","0.0009","23.9678","0.0016","90","","90","","90","","3971.5","0.4","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Cl3 Ga N S2 Si2 -","- C32 H49 Cl3 Ga N S2 Si2 -","- C128 H196 Cl12 Ga4 N4 S8 Si8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.1402","0.0753","","","0.1647","0.1911","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220861","9.0885","0.0009","10.1681","0.0009","15.4664","0.001","88.451","0.006","87.493","0.007","66.259","0.009","1307","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","2","","Luo, Jing; Chen, Wenteng; Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Yu, Yongping","Synthesis of poly-functionalized imidazoles via vinyl azides annulation","RSC Adv.","2015","5","69","55808","","10.1039/C5RA07320K","","","0.71073","MoKα","","0.0889","0.0461","","","0.0883","0.1089","","","","","","1.023","","","","has coordinates","139641","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220863","13.858","0.002","4.3834","0.0007","11.1513","0.0017","90","","98.584","0.002","90","","669.8","0.18","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0257","0.0215","","","0.0539","0.0551","","","","","","1.057","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220864","13.8531","0.0019","4.3928","0.0006","11.1633","0.0015","90","","98.597","0.002","90","","671.7","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0269","0.0217","","","0.0538","0.0553","","","","","","1.061","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220865","13.891","0.002","4.4024","0.0007","11.1676","0.0017","90","","98.719","0.002","90","","675.05","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0318","0.0245","","","0.0601","0.0623","","","","","","1.052","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220866","13.936","0.002","4.4112","0.0007","11.1717","0.0016","90","","98.84","0.002","90","","678.62","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.037","0.027","","","0.0633","0.066","","","","","","1.081","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220867","13.9822","0.0018","4.4209","0.0006","11.1785","0.0014","90","","98.951","0.002","90","","682.57","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0425","0.0283","","","0.0668","0.0714","","","","","","1.055","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220868","14.0179","0.0018","4.4297","0.0006","11.1892","0.0014","90","","99.047","0.002","90","","686.15","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0488","0.0299","","","0.0703","0.0759","","","","","","1.036","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220869","14.051","0.002","4.4406","0.0006","11.2041","0.0016","90","","99.129","0.002","90","","690.22","0.17","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.054","0.0312","","","0.0722","0.0797","","","","","","1.023","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220870","14.0837","0.0018","4.4538","0.0006","11.2236","0.0014","90","","99.2049","0.0018","90","","694.95","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0689","0.0391","","","0.0837","0.0963","","","","","","1.032","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220871","14.105","0.003","4.4657","0.001","11.245","0.002","90","","99.262","0.003","90","","699.1","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0753","0.035","","","0.0767","0.0877","","","","","","1.008","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220872","14.129","0.005","4.4805","0.0014","11.264","0.004","90","","99.369","0.005","90","","703.6","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.07","0.0323","","","0.0822","0.0944","","","","","","1.001","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220873","12.9324","0.0011","4.4704","0.0004","11.5909","0.001","90","","102.592","0.001","90","","653.99","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0296","0.0274","","","0.0729","0.075","","","","","","1.065","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220874","12.9484","0.0015","4.4854","0.0005","11.6092","0.0013","90","","102.545","0.0014","90","","658.15","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0348","0.0291","","","0.0748","0.0777","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220875","12.9648","0.0011","4.5026","0.0004","11.6333","0.001","90","","102.499","0.001","90","","663","0.1","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0388","0.0323","","","0.0848","0.0902","","","","","","1.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220876","12.9974","0.0015","4.516","0.0005","11.6594","0.0013","90","","102.481","0.002","90","","668.19","0.13","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0481","0.0336","","","0.0822","0.0894","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220877","13.032","0.0011","4.5311","0.0004","11.6944","0.001","90","","102.483","0.001","90","","674.22","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0575","0.0384","","","0.0951","0.1091","","","","","","1.079","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220878","13.061","0.003","4.5482","0.0009","11.736","0.002","90","","102.463","0.003","90","","680.7","0.2","340","2","340","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0742","0.0389","","","0.0957","0.1116","","","","","","0.973","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220879","13.097","0.004","4.5652","0.0015","11.779","0.004","90","","102.471","0.005","90","","687.7","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0799","0.0453","","","0.1066","0.1272","","","","","","1.101","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220880","8.273","0.0009","10.2826","0.0012","15.1195","0.0017","96.759","0.002","101.61","0.002","105.668","0.002","1192.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.0351","0.0254","","","0.0658","0.0691","","","","","","1.021","","","","has coordinates","171065","2020-10-21","18:00:00",""
"7220881","15.4","0.0006","17.393","0.0007","17.586","0.0007","99.683","0.001","101.239","0.001","106.964","0.001","4290","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H106 Cu2 N24 O102 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.1017","0.0912","","","0.2039","0.2081","","","","","","1.197","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220882","10.8767","0.0019","12.698","0.002","14.373","0.003","113.644","0.003","92.071","0.004","114.579","0.003","1603.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.1241","0.0846","","","0.2429","0.2761","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220883","11.1118","0.0008","11.7101","0.0008","12.1289","0.0008","71.891","0.001","69.772","0.001","75.032","0.001","1387.26","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.0669","0.0405","","","0.0855","0.0955","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7220885","6.8038","0.0003","17.311","0.0006","13.4729","0.0005","90","","99.299","0.001","90","","1565.99","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C68 H92 N12 O8 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.0434","0.0372","","","0.1353","0.1469","","","","","","1.24","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220886","10.896","0.006","7.886","0.005","19.222","0.009","90","","94.135","0.012","90","","1647.4","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C68 H92 N12 O8 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.1602","0.0744","","","0.2239","0.2356","","","","","","1.242","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220887","7.1834","0.0005","12.7135","0.0008","16.514","0.0011","90","","97.201","0.002","90","","1496.26","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.0405","0.0346","","","0.1039","0.1154","","","","","","0.754","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220888","13.818","0.006","7.428","0.003","15.482","0.007","90","","93.055","0.009","90","","1586.8","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.1499","0.0759","","","0.1998","0.2317","","","","","","1.146","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220889","10.868","0.004","11.468","0.004","15.889","0.006","90","","103.051","0.003","90","","1929.2","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O2 S2 -","- C20 H24 O2 S2 -","- C80 H96 O8 S8 -","4","1","","li, chunbao; Liu, Lei; Feng, Suliu","A Green Synthesis of Highly Substituted 1,5-Diketones","RSC Adv.","2015","","","","","10.1039/C5RA08682E","","","0.71073","MoKα","","0.0543","0.0488","","","0.1379","0.1442","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220890","6.8647","0.0011","10.9002","0.0013","14.125","0.002","112.561","0.008","93.159","0.014","92.253","0.01","972.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","AD_BK_5","","- C23 H14 Cl N O3 S -","- C23 H14 Cl N O3 S -","- C46 H28 Cl2 N2 O6 S2 -","2","1","","Khan, Abu Taleb; Dar, Ajaz Ahmad; Hussain, Sameer; Dutta, Debasish; Iyer, Parameswar K.","One-pot synthesis of functionalized 4-hydroxy-3-thiomethylcoumarins: Detection and discrimination of Co2+ and Ni2+ ions","RSC Adv.","2015","","","","","10.1039/C5RA09152G","","","0.71073","MoKα","","0.2072","0.1338","","","0.3299","0.3775","","","","","","1.075","","","","has coordinates","139669","2020-10-21","18:00:00",""
"7220891","8.146","0.0016","11.425","0.002","17.576","0.004","76.635","0.017","83.429","0.017","72.903","0.017","1519.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","AD_DD_21_Ni Complex","","- C34 H28 N2 Ni O6 S2 -","- C34 H28 N2 Ni O6 S2 -","- C68 H56 N4 Ni2 O12 S4 -","2","1","","Khan, Abu Taleb; Dar, Ajaz Ahmad; Hussain, Sameer; Dutta, Debasish; Iyer, Parameswar K.","One-pot synthesis of functionalized 4-hydroxy-3-thiomethylcoumarins: Detection and discrimination of Co2+ and Ni2+ ions","RSC Adv.","2015","","","","","10.1039/C5RA09152G","","","0.71073","MoKα","","0.2339","0.1013","","","0.1476","0.2041","","","","","","1.102","","","","has coordinates","139669","2020-10-21","18:00:00",""
"7220892","8.3365","0.0006","11.1277","0.0008","11.2945","0.0008","82.838","0.005","69.409","0.004","73.262","0.004","938.94","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","AD_DD_21_Co Complex","","- C36 H32 Cl4 Co N2 O6 S2 -","- C36 H32 Cl4 Co N2 O6 S2 -","- C36 H32 Cl4 Co N2 O6 S2 -","1","0.5","","Khan, Abu Taleb; Dar, Ajaz Ahmad; Hussain, Sameer; Dutta, Debasish; Iyer, Parameswar K.","One-pot synthesis of functionalized 4-hydroxy-3-thiomethylcoumarins: Detection and discrimination of Co2+ and Ni2+ ions","RSC Adv.","2015","","","","","10.1039/C5RA09152G","","","0.71073","MoKα","","0.0615","0.0491","","","0.1421","0.1553","","","","","","0.987","","","","has coordinates","139669","2020-10-21","18:00:00",""
"7220893","9.518","0.0012","6.7119","0.0009","11.6243","0.0014","90","","90.85","0.003","90","","742.52","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-bromo-4a-isopropyl-2-methyl-2,3,4,4a-tetrahydro-1H-carbazole","","- C16 H20 Br N -","- C16 H20 Br N -","- C32 H40 Br2 N2 -","2","1","","Khan, Maria Aqeel; Fazal-ur-Rehman, Saba; Hameed, Abdul; Kousar, Shazia; Dalvandi, Kourosh; Yousuf, Sammer; Choudhary, Muhammad I.; Basha, Fatima Z.","Regioselective Synthesis of Novel 2,3,4,4a-tetrahydro-1H-carbazoles and their Cholinesterase Inhibitory Activities","RSC Adv.","2015","","","","","10.1039/C5RA10461K","","","0.71073","MoKα","","0.0392","0.0302","","","0.0693","0.0726","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220894","15.4805","0.0007","31.8766","0.0007","15.951","0.0005","90","","104.209","0.004","90","","7630.5","0.5","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H96 F12 N4 O22 S4 -","- C66 H96 F12 N4 O22 S4 -","- C264 H384 F48 N16 O88 S16 -","4","1","","Pan, Fangfang; Beyeh, N. Kodiah; Rissanen, Kari","Dimeric Resorcinarene Salt Capsules with Very Tight Encapsulation of Anions and Guest Molecules","RSC Adv.","2015","","","","","10.1039/C5RA11905G","","x-ray","1.54184","CuKα","","0.0986","0.0885","","","0.275","0.2819","","","","","","1.085","","","","has coordinates,has disorder","139671","2020-10-21","18:00:00",""
"7220895","16.3576","0.0014","17.0042","0.0013","18.5089","0.0013","69.135","0.007","67.66","0.007","67.136","0.008","4254.4","0.6","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 F12 N4 O26 S4 -","- C72 H108 F12 N4 O26 S4 -","- C144 H216 F24 N8 O52 S8 -","2","1","","Pan, Fangfang; Beyeh, N. Kodiah; Rissanen, Kari","Dimeric Resorcinarene Salt Capsules with Very Tight Encapsulation of Anions and Guest Molecules","RSC Adv.","2015","","","","","10.1039/C5RA11905G","","x-ray","0.71073","MoKα","","0.1169","0.067","","","0.1636","0.1988","","","","","","1.022","","","","has coordinates,has disorder","139671","2020-10-21","18:00:00",""
"7220896","14.45","0.005","4.956","0.005","26.73","0.005","90","","96.301","0.005","90","","1903","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 S -","- C19 H20 N4 O2 S -","- C76 H80 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0925","0.0666","","","0.1823","0.2181","","","","","","1.04","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220897","14.858","0.0005","4.854","0.0001","26.819","0.0008","90","","90.237","0.001","90","","1934.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IPHAT 2","5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole","","- C19 H19 Cl N4 O2 S -","- C19 H19 Cl N4 O2 S -","- C76 H76 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0428","","","0.1098","0.1233","","","","","","1.025","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220898","9.6388","0.0003","16.1889","0.0004","14.8442","0.0005","90","","91.076","0.001","90","","2315.9","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-MeOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C24 H21 Cl N4 O2 S -","- C24 H21 Cl N4 O2 S -","- C96 H84 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0421","0.0348","","","0.0899","0.098","","","","","","1.037","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220899","9.672","0.0002","16.4163","0.0003","15.216","0.0003","90","","90.805","0.001","90","","2415.73","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-EtOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C25 H23 Cl N4 O2 S -","- C25 H23 Cl N4 O2 S -","- C100 H92 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0439","","","0.1136","0.1296","","","","","","1.043","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220900","11.987","0.016","12.649","0.016","14.39","0.02","102.66","0.03","106.82","0.02","93.196","0.012","2021","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CyHAT","5-benzoyl-4-cyclohexylidenehydrazino-2-phenylaminothiazole","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C88 H88 N16 O4 S4 -","4","2","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.178","0.0651","","","0.1079","0.1437","","","","","","0.605","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220902","10.4529","0.0001","16.105","0.0002","7.25488","0.0001","90","","112.369","0.001","90","","1129.41","0.02","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C48 H40 N16 O12 -","4","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0419","0.0352","","","0.0927","0.1054","","","","","","1.111","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220904","15.172","0.003","3.8385","0.0008","22.105","0.004","90","","107.902","0.009","90","","1225","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N O S -","- C17 H11 N O S -","- C68 H44 N4 O4 S4 -","4","1","","Chadar, Dattatray; Rao, Soniya S.; Khan, Ayesha; Gejji, Shridhar P.; Bhat, Kiesar; Weyhermueller, Thomas; Salunke-Gawali, Sunita Arun","Benzo[α]phenoxazines and Benzo[α]phenothiazine from Vitamin K3: Synthesis, Molecular structures, DFT studies and Cytotoxic activity","RSC Adv.","2015","","","","","10.1039/C5RA08496B","","","0.71073","MoKα","","0.0898","0.0657","","","0.1519","0.1659","","","","","","1.116","","","","has coordinates","139717","2020-10-21","18:00:00",""
"7220905","4.7569","0.0009","9.66","0.002","28.117","0.005","90","","90","","90","","1292","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 Cl N O2 -","- C17 H10 Cl N O2 -","- C68 H40 Cl4 N4 O8 -","4","1","","Chadar, Dattatray; Rao, Soniya S.; Khan, Ayesha; Gejji, Shridhar P.; Bhat, Kiesar; Weyhermueller, Thomas; Salunke-Gawali, Sunita Arun","Benzo[α]phenoxazines and Benzo[α]phenothiazine from Vitamin K3: Synthesis, Molecular structures, DFT studies and Cytotoxic activity","RSC Adv.","2015","","","","","10.1039/C5RA08496B","","","0.71073","MoKα","","0.0545","0.0397","","","0.0813","0.087","","","","","","1.04","","","","has coordinates","139717","2020-10-21","18:00:00",""
"7220906","7.1715","0.0006","21.816","0.002","8.961","0.0009","90","","112.283","0.004","90","","1297.3","0.2","100","2","100","2","","","","","","","toluene","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Chadar, Dattatray; Rao, Soniya S.; Khan, Ayesha; Gejji, Shridhar P.; Bhat, Kiesar; Weyhermueller, Thomas; Salunke-Gawali, Sunita Arun","Benzo[α]phenoxazines and Benzo[α]phenothiazine from Vitamin K3: Synthesis, Molecular structures, DFT studies and Cytotoxic activity","RSC Adv.","2015","","","","","10.1039/C5RA08496B","","","1.54178","Cu-Kα","","0.066","0.0543","","","0.1482","0.1611","","","","","","1.059","","","","has coordinates","139717","2020-10-21","18:00:00",""
"7220907","7.9732","0.0006","11.0621","0.0008","11.7442","0.0008","78.303","0.002","80.056","0.002","75.76","0.002","974.9","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C50 H36 N4 O8 -","2","1","","Das, Asish R.; Kausar, Nazia; Ghosh, Partha Pratim; Pal, Gargi","Graphene Oxide Nanosheets: A Highly Efficient and Reusable Carbocatalyst Catalyzes the Michael-Cyclization Reactions of 4-Hydroxycoumarins, 4-Hydroxypyrone and 4-Hydroxy-1-methylquinolinone With Chalcone Derivatives in Aqueous Media","RSC Adv.","2015","","","","","10.1039/C5RA08776G","","","0.71073","MoKα","","0.0515","0.0422","","","0.1258","0.1348","","","","","","1.037","","","","has coordinates","139718","2020-10-21","18:00:00",""
"7220908","12.7852","0.0004","13.7533","0.0004","25.2899","0.001","86.895","0.002","85.724","0.002","89.541","0.002","4428","0.3","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","BODIPY Phenylacetylene Macrocycle","","- C56 H35 B Cl2 F2 N2 -","- C56 H35 B Cl2 F2 N2 -","- C224 H140 B4 Cl8 F8 N8 -","4","2","","Yousaf, Muhammad; Lough, Alan; Schott, Eduardo; Koivisto, Bryan Douglas","BODIPY-phenylacetylene macrocycle motifs for enhanced light-harvesting and energy transfer applications","RSC Adv.","2015","","","","","10.1039/C5RA08592F","","","1.54178","CuKα","","0.0928","0.0672","","","0.168","0.1863","","","","","","1.023","","","","has coordinates,has disorder","139719","2020-10-21","18:00:00",""
"7220909","18.424","0.007","17.935","0.007","18.574","0.006","90","","110.646","0.01","90","","5743","4","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 B2 F4 N8 -","- C32 H24 B2 F4 N8 -","- C256 H192 B16 F32 N64 -","8","1","","Barbon, Stephanie M.; Price, Jacquelyn T.; Yogarajah, Umesh; Gilroy, Joe B.","Synthesis and characterization of conjugated/cross-conjugated benzene-bridged boron difluoride formazanate dimers","RSC Adv.","2015","5","69","56316","","10.1039/C5RA09505K","","","0.71073","MoKα","","0.0932","0.046","","","0.0912","0.1079","","","","","","1.018","","","","has coordinates","139720","2020-10-21","18:00:00",""
"7220910","9.4974","0.0009","17.4158","0.0016","25.769","0.002","80.532","0.005","84.709","0.004","89.933","0.004","4185.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","L","","- C28 H22 N6 -","- C28 H22.005 N6 -","- C224 H176.04 N48 -","8","4","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1799","0.1044","","","0.2681","0.3286","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220911","51.246","0.003","4.7708","0.0002","17.4723","0.0008","90","","99.207","0.003","90","","4216.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C56 H43 N12 Ni -","- C56 H43 N12 Ni -","- C224 H172 N48 Ni4 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1468","0.0924","","","0.2334","0.2703","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220912","51.241","0.003","4.7974","0.0003","17.4614","0.001","90","","99.137","0.004","90","","4238","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C56 H40 Co2 N12 -","- C56 H40 Co2 N12 -","- C224 H160 Co8 N48 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1484","0.0555","","","0.1128","0.1563","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220913","8.9584","0.0002","14.6692","0.0004","19.0677","0.0005","90","","117.742","0.002","90","","2217.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C112 H80 Co4 N24 -","4","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.0737","0.0448","","","0.0935","0.1028","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220915","19.8884","0.0013","33.434","0.002","26.1619","0.0017","90","","105.04","0.002","90","","16800.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5","","- C84 H58 Co3 N12 O8 -","- C84 H58 Co3 N12 O8 -","- C672 H464 Co24 N96 O64 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1209","0.0714","","","0.2094","0.2292","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220917","8.804","0.007","7.685","0.005","21.631","0.015","90","","100.287","0.012","90","","1440","1.8","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil","Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules.","Physical chemistry chemical physics : PCCP","2015","17","28","18768","18779","10.1039/c5cp02762d","","","0.71073","MoKα","","0.1273","0.0755","","","0.1636","0.1986","","","","","","1.182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220918","12.944","0.003","17.317","0.003","20.834","0.004","90","","105.251","0.011","90","","4505.5","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(coe)2]","","- C49 H56 Ir N3 P2 S2 -","- C49 H56 Ir N3 P2 S2 -","- C196 H224 Ir4 N12 P8 S8 -","4","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.1906","0.085","","","0.1777","0.2309","","","","","","0.929","","","","has coordinates,has disorder","139796","2020-10-21","18:00:00",""
"7220919","16.6953","0.0009","13.0614","0.0007","27.2428","0.0015","90","","103.2","0.001","90","","5783.7","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(P(OC6H4)(OPh)2)(P(OPh)3)(H)]","","- C62 H50 Ir N3 O6 P4 S2 -","- C62 H50 Ir N3 O6 P4 S2 -","- C248 H200 Ir4 N12 O24 P16 S8 -","4","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.0719","0.0468","","","0.0949","0.1055","","","","","","1.022","","","","has coordinates","139796","2020-10-21","18:00:00",""
"7220920","14.3017","0.0003","23.0762","0.0006","18.2448","0.0004","90","","101.006","0.001","90","","5910.6","0.2","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(PPh3)2O2]","","- C63 H50 Cl2 D2 Ir N3 O2 P4 S2 -","- C62.999 H50 Cl1.998 D1.998 Ir N3 O2 P4 S2 -","- C251.996 H200 Cl7.992 D7.992 Ir4 N12 O8 P16 S8 -","4","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.0723","0.0436","","","0.1025","0.1188","","","","","","1.002","","","","has coordinates,has disorder","139796","2020-10-21","18:00:00",""
"7220921","14.0119","0.001","23.8515","0.0016","17.8353","0.0012","90","","99.393","0.001","90","","5880.7","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(PPh3)2(H)2]","","- C62.5 H52.5 Cl1.5 Ir N3 P4 S2 -","- C62.5004 H52.5004 Cl1.5012 Ir N3 P4 S2 -","- C250.002 H210.002 Cl6.0048 Ir4 N12 P16 S8 -","4","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.0582","0.0372","","","0.0913","0.1027","","","","","","1.011","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220922","16.039","0.003","17.92","0.003","40.991","0.006","90","","90","","90","","11782","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(PPh3)2(H)2]","","- C63 H53 Cl3 Ir N3 P4 S2 -","- C63 H53 Cl3 Ir N3 P4 S2 -","- C504 H424 Cl24 Ir8 N24 P32 S16 -","8","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.0741","0.0384","","","0.0678","0.081","","","","","","1.028","","","","has coordinates,has disorder","139796","2020-10-21","18:00:00",""
"7220923","14.198","0.003","6.0639","0.0012","25.178","0.005","90","","100.14","0.03","90","","2133.8","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","1","","Liu, Gong-Qing; Li, Lin; Duan, Lili; Li, Yue-Ming","mCPBA-mediated metal-free intramolecular aminohydroxylation and dioxygenation of unfunctionalized olefins","RSC Adv.","2015","","","","","10.1039/C5RA09024E","","","0.71073","MoKα","","0.0551","0.0443","","","0.1187","0.1284","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220924","8.6906","0.0017","11.953","0.002","13.546","0.003","90","","90","","90","","1407.1","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Liu, Gong-Qing; Li, Lin; Duan, Lili; Li, Yue-Ming","mCPBA-mediated metal-free intramolecular aminohydroxylation and dioxygenation of unfunctionalized olefins","RSC Adv.","2015","","","","","10.1039/C5RA09024E","","","0.71073","MoKα","","0.0641","0.0592","","","0.1544","0.1598","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220925","8.979","0.004","10.358","0.005","12.109","0.006","68.918","0.005","67.153","0.004","88.425","0.006","960.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C42 H40 N4 O8 S2 -","2","1","","García-Deibe, Ana M.; Portela-García, Cristina; Fondo, Matilde; Sanmartin, Jesus","Controlling ring-chain tautomerism through steric hindrance","RSC Adv.","2015","","","","","10.1039/C5RA10132H","","","1.54184","CuKα","","0.0594","0.0459","","","0.128","0.1375","","","","","","1.068","","","","has coordinates,has disorder","139798","2020-10-21","18:00:00",""
"7220926","8.7401","0.0012","10.3466","0.0013","12.778","0.0018","91.204","0.006","91.18","0.006","91.168","0.005","1154.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N4 O3 S -","- C25 H28 N4 O3 S -","- C50 H56 N8 O6 S2 -","2","1","","García-Deibe, Ana M.; Portela-García, Cristina; Fondo, Matilde; Sanmartin, Jesus","Controlling ring-chain tautomerism through steric hindrance","RSC Adv.","2015","","","","","10.1039/C5RA10132H","","","0.71073","MoKα","","0.1155","0.0692","","","0.1565","0.1831","","","","","","1.047","","","","has coordinates,has disorder","139798","2020-10-21","18:00:00",""
"7220927","10.0744","0.0008","11.5179","0.0008","13.2903","0.0009","64.902","0.004","84.007","0.005","87.326","0.005","1388.91","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl3 N4 O3 S -","- C26 H29 Cl3 N4 O3 S -","- C52 H58 Cl6 N8 O6 S2 -","2","1","","García-Deibe, Ana M.; Portela-García, Cristina; Fondo, Matilde; Sanmartin, Jesus","Controlling ring-chain tautomerism through steric hindrance","RSC Adv.","2015","","","","","10.1039/C5RA10132H","","","0.71073","MoKα","","0.0694","0.0451","","","0.1058","0.1197","","","","","","1.042","","","","has coordinates","139798","2020-10-21","18:00:00",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220930","13.9914","0.0002","20.2561","0.0004","23.3703","0.0005","90","","90","","90","","6623.4","0.2","293","2","293","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C60 H40 N12 O12 Zn3 -","- C60 H43 N12 O12 Zn3 -","- C240 H172 N48 O48 Zn12 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","1.54184","CuKα","","0.1478","0.0895","","","0.2142","0.2794","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220931","7.715","0.0012","8.258","0.0013","9.594","0.0016","115.02","0.005","92.541","0.005","90.02","0.005","553.21","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.067","0.0442","","","0.0886","0.0965","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220932","15.354","0.004","9.78","0.002","16.2709","0.0014","90","","104.57","0.04","90","","2364.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cu0.5 N5 O3 -","- C11 H8 Cu0.5 N5 O3 -","- C88 H64 Cu4 N40 O24 -","8","1","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.0728","0.0389","","","0.0832","0.098","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220933","15.101","0.006","9.635","0.003","16.508","0.008","90","","103.54","0.06","90","","2335.1","1.7","294","2","294","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N10 O6 -","- C22 H16 Co N10 O6 -","- C88 H64 Co4 N40 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.089","0.0451","","","0.0939","0.1055","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220934","15.327","0.008","9.623","0.006","16.459","0.008","90","","104.47","0.04","90","","2351","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 Ni O6 -","- C22 H16 N10 Ni O6 -","- C88 H64 N40 Ni4 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.2903","0.0925","","","0.0895","0.1299","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220935","7.0438","0.0007","7.8981","0.0007","12.0293","0.0011","81.397","0.003","89.396","0.003","67.424","0.003","610.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.0486","0.0389","","","0.1092","0.1157","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220936","3.98","0.002","13.759","0.007","15.461","0.008","90","","90.994","0.008","90","","846.5","0.7","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0719","0.0528","","","0.1541","0.178","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220937","3.9618","0.0019","13.745","0.007","15.47","0.008","90","","91.089","0.006","90","","842.3","0.7","283","2","283","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.07","0.0429","","","0.1089","0.1241","","","","","","0.883","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220938","3.957","0.002","13.735","0.007","15.454","0.008","90","","91.156","0.008","90","","839.7","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0756","0.0454","","","0.1237","0.1522","","","","","","0.887","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220939","3.9291","0.0018","13.739","0.006","15.443","0.007","90","","94.454","0.007","90","","831.1","0.6","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0707","0.0438","","","0.1078","0.1216","","","","","","0.919","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220940","3.908","0.002","13.78","0.01","15.42","0.01","90","","95.31","0.006","90","","826.8","0.9","236","2","236","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0711","0.0446","","","0.1147","0.1255","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220941","3.8968","0.0018","13.781","0.007","15.419","0.007","90","","95.382","0.006","90","","824.4","0.7","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0653","0.045","","","0.1247","0.1396","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220942","3.88","0.002","13.786","0.007","15.404","0.009","90","","95.639","0.007","90","","820","0.8","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0615","0.0417","","","0.1074","0.1172","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220943","3.876","0.0018","13.791","0.006","15.388","0.007","90","","95.882","0.006","90","","818.2","0.6","198","","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0576","0.0384","","","0.0947","0.1026","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220944","3.8537","0.0015","13.804","0.005","15.381","0.006","90","","96.164","0.006","90","","813.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0554","0.0404","","","0.1064","0.1155","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220945","3.8278","0.0018","13.813","0.006","15.364","0.008","90","","96.512","0.007","90","","807.1","0.7","128","","128","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0457","0.0347","","","0.0856","0.0902","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220946","3.8139","0.001","13.823","0.004","15.349","0.004","90","","96.777","0.004","90","","803.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0402","0.0331","","","0.0882","0.0915","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220947","8.593","0.002","12.641","0.003","15.263","0.004","90","","97.065","0.004","90","","1645.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0587","0.0354","","","0.067","0.0729","","","","","","0.879","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220948","8.608","0.002","12.658","0.003","15.282","0.004","90","","97.022","0.003","90","","1652.6","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0565","0.0405","","","0.0911","0.0985","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220949","8.623","0.004","12.646","0.005","15.305","0.006","90","","97.145","0.005","90","","1656","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0625","0.0448","","","0.0972","0.1054","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220950","8.665","0.003","12.666","0.004","15.316","0.005","90","","97.277","0.003","90","","1667.4","1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0692","0.0482","","","0.1049","0.115","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220951","8.691","0.003","12.673","0.004","15.336","0.005","90","","97.417","0.004","90","","1675","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0749","0.0503","","","0.1096","0.121","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220952","8.721","0.003","12.675","0.004","15.366","0.005","90","","97.58","0.004","90","","1683.7","1","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0837","0.0524","","","0.1096","0.1239","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220953","8.767","0.003","12.675","0.004","15.411","0.005","90","","97.912","0.005","90","","1696.2","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0985","0.0578","","","0.1265","0.1466","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220954","8.794","0.003","12.678","0.003","15.437","0.005","90","","98.052","0.004","90","","1704.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.1067","0.0594","","","0.1274","0.1483","","","","","","1.093","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220955","7.6803","0.0013","18.549","0.004","11.229","0.003","90","","92.711","0.015","90","","1597.9","0.6","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.065","","","","0.1694","","","","","","1.089","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220956","23.613","0.005","5.9425","0.001","22.998","0.005","90","","102.411","0.008","90","","3151.7","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0497","","","","0.1392","","","","","","1.052","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220957","4.832","0.008","26.06","0.04","12.243","0.015","90","","91.4","0.08","90","","1541","4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C76 H72 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0754","","","","0.2182","","","","","","1.005","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220958","46.128","0.012","6.2135","0.0014","20.163","0.005","90","","100.884","0.019","90","","5675","2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 -","- C34 H28 N6 -","- C272 H224 N48 -","8","1","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0744","","","","0.1771","","","","","","0.932","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220959","23.947","0.007","6.9011","0.0013","23.64","0.008","90","","104.564","0.011","90","","3781.2","1.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N6 -","- C50 H36 N6 -","- C200 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0619","","","","0.1712","","","","","","1.015","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220960","7.817","0.0003","10.9187","0.0004","15.3971","0.0006","93.089","0.002","99.167","0.002","102.119","0.002","1263.26","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl2 N6 O8 Sn -","- C56 H36 Cl2 N6 O8 Sn -","- C56 H36 Cl2 N6 O8 Sn -","1","0.5","","Soman, Rahul; Raghav, Darpan; Sujatha, Subramaniam; K, Rathinasamy; Arunkumar, Chellaiah","Axial Ligand Modified High Valent Tin(IV) Porphyrins: Synthesis, Structure, Photophysical Studies and Photodynamic Antimicrobial Activities on Candida Albicans","RSC Adv.","2015","","","","","10.1039/C5RA09343K","","","0.71073","MoKα","","0.0313","0.0288","","","0.0778","0.0803","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220961","10.6568","0.0005","12.5048","0.0005","13.3413","0.0005","73.218","0.003","76.096","0.004","74.284","0.004","1612.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 N6 O14 Sn -","- C64 H44 N6 O14 Sn -","- C64 H44 N6 O14 Sn -","1","0.5","","Soman, Rahul; Raghav, Darpan; Sujatha, Subramaniam; K, Rathinasamy; Arunkumar, Chellaiah","Axial Ligand Modified High Valent Tin(IV) Porphyrins: Synthesis, Structure, Photophysical Studies and Photodynamic Antimicrobial Activities on Candida Albicans","RSC Adv.","2015","","","","","10.1039/C5RA09343K","","","0.71073","MoKα","","0.0378","0.0349","","","0.0865","0.0893","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220962","39.356","0.013","9.332","0.003","9.842","0.003","90","","101.864","0.004","90","","3537","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N6 O10 Zn2 -","- C24 H34 N6 O10 Zn2 -","- C96 H136 N24 O40 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0604","0.0554","","","0.1687","0.1747","","","","","","1.096","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220963","38.503","0.005","9.4511","0.0012","9.8023","0.0013","90","","100.578","0.002","90","","3506.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N8 O8 Zn2 -","- C22 H20 N8 O7.9998 Zn2 -","- C88 H80 N32 O31.9992 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0952","0.0618","","","0.2065","0.2442","","","","","","1.122","","","","has coordinates,has disorder","153106","2020-10-21","18:00:00",""
"7220964","38.028","0.01","9.647","0.003","9.871","0.003","90","","97.49","0.005","90","","3590.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N6 O8 Zn2 -","- C20 H22 N6 O8 Zn2 -","- C80 H88 N24 O32 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.1091","0.0845","","","0.2533","0.2759","","","","","","1.152","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220967","11.722","0.0004","15.365","0.0005","12.7229","0.001","90","","119.424","0.004","90","","1995.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0648","0.0463","","","0.107","0.1185","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220969","8.6985","0.0004","9.4824","0.0006","17.7549","0.001","80.703","0.005","77.485","0.005","65.302","0.005","1294.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O8 -","- C25 H27 Cd N5 O8 -","- C50 H54 Cd2 N10 O16 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0484","0.0374","","","0.073","0.0764","","","","","","1.031","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220970","10.1493","0.0005","11.1061","0.0007","12.8644","0.0006","109.643","0.005","101.237","0.004","94.591","0.005","1322.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O12 -","- C25 H29 Cu N3 O12 -","- C50 H58 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0734","0.0497","","","0.1017","0.1095","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220971","10.0801","0.0003","10.821","0.0005","13.4386","0.0006","95.194","0.004","92.144","0.003","92.391","0.003","1457.3","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cu N3 O12 -","- C27 H31 Cu N3 O12 -","- C54 H62 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.1","0.0892","","","0.2601","0.2718","","","","","","1.058","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220973","14.782","0.0004","21.4253","0.0004","15.3447","0.0011","90","","90.858","0.007","90","","4859.3","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C97 H61 Cl16 N9 O11 Zn -","- C97 H61 Cl16 N9 O11 Zn -","- C194 H122 Cl32 N18 O22 Zn2 -","2","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0473","","","","0.1264","","","","","","1.057","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7220974","11.6044","0.0004","12.7753","0.0005","13.3673","0.001","90","","90","","90","","1981.7","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H8 Cl4 N2 O2 -","- C20 H8 Cl4 N2 O2 -","- C80 H32 Cl16 N8 O8 -","4","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0264","","","","0.0723","","","","","","1.051","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7220975","11.9517","0.0007","12.7781","0.0007","13.5193","0.001","90","","90","","90","","2064.7","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H8 Br4 N2 O2 -","- C20 H8 Br4 N2 O2 -","- C80 H32 Br16 N8 O8 -","4","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0282","","","","0.0583","","","","","","1.095","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7220976","31.1736","0.0009","9.5651","0.0002","8.0016","0.0003","90","","91.296","0.003","90","","2385.3","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C116 H92 N4 O16 -","4","1","","Kumar, Sunil; Singh, Punita; Srivastava, Ritu; Ghosh, Subrata","Packing Directed Beneficial Role of 3-D Rigid Alicyclic Arms on Templated Molecular Aggregation Problem","RSC Adv.","2015","","","","","10.1039/C5RA08231E","","x-ray","1.54184","CuKα","","0.0783","0.0659","","","0.1911","0.2066","","","","","","1.05","","","","has coordinates","139908","2020-10-21","18:00:00",""
"7220977","9.6788","0.0003","9.6941","0.0003","12.4864","0.0004","86.025","0.002","86.707","0.002","89.675","0.002","1166.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[P4444][H(OAc)2]","tetrabutylphosphonium hydrogendiethanoate","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.0435","0.0372","","","0.0956","0.0994","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220978","10.569","0.005","11.627","0.005","31.826","0.005","90","0.005","90.812","0.005","90","0.005","3911","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[P4444][HCO3]","tetrabutylphosphonium hydrogencarbonate","","- C34 H74 O6 P2 -","- C34 H74 O6 P2 -","- C136 H296 O24 P8 -","4","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.135","0.0567","","","0.117","0.1331","","","","","","0.88","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220979","11.5582","0.0007","12.3717","0.0007","23.8099","0.0018","90","","90","","90","","3404.7","0.4","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 B F4 N2 -","- C20 H15 B F4 N2 -","- C160 H120 B8 F32 N16 -","8","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C‒N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0714","0.0499","","","0.1221","0.1362","","","","","","1.026","","","","has coordinates,has disorder","162001","2020-10-21","18:00:00",""
"7220980","8.5758","0.0006","10.4878","0.0007","12.8368","0.0008","75.32","0.002","78.092","0.002","74.019","0.002","1062.06","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 B F4 N3 -","- C26 H20 B F4 N3 -","- C52 H40 B2 F8 N6 -","2","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C‒N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0506","0.0379","","","0.0934","0.1019","","","","","","1.033","","","","has coordinates","162001","2020-10-21","18:00:00",""
"7220981","7.7832","0.001","9.8765","0.0013","16.564","0.002","90","","91.056","0.003","90","","1273.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","","Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study.","Physical chemistry chemical physics : PCCP","2015","17","31","20288","20295","10.1039/c5cp02525g","","","0.71073","MoKα","","0.0399","0.0312","","","0.0741","0.0772","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220982","11.561","0.0001","11.561","0.0001","9.707","0.0002","90","","90","","120","","1123.59","0.03","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N O4 S -","- C17 H11 N O4 S -","- C51 H33 N3 O12 S3 -","3","1","","Montesinos-Magraner, Marc; Cantón, Rubén; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, Carmen; Pedro, Jose R.","Organocatalytic Enantioselective aza-Friedel-Crafts Reaction of 2-Naphthols with Benzoxathiazine 2,2-dioxides","RSC Adv.","2015","","","","","10.1039/C5RA11168D","","","0.71073","MoKα","","0.0523","0.04","","","0.1063","0.1156","","","","","","0.942","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220983","7.627","0.0001","10.353","0.0002","18.997","0.0003","90","","90","","90","","1500.05","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 S -","- C18 H13 N O4 S -","- C72 H52 N4 O16 S4 -","4","1","","Montesinos-Magraner, Marc; Cantón, Rubén; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, Carmen; Pedro, Jose R.","Organocatalytic Enantioselective aza-Friedel-Crafts Reaction of 2-Naphthols with Benzoxathiazine 2,2-dioxides","RSC Adv.","2015","","","","","10.1039/C5RA11168D","","","0.71073","MoKα","","0.0612","0.0399","","","0.0893","0.097","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220984","12.6713","0.0004","15.2764","0.0004","13.6503","0.0004","90","","103.285","0.002","90","","2571.6","0.13","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(1-butyl-3-methyl-imidazole-2-selone)-dichloro-dipalladium","","- C16 H28 Cl4 N4 Pd2 Se2 -","- C16 H28 Cl4 N4 Pd2 Se2 -","- C64 H112 Cl16 N16 Pd8 Se8 -","4","1","","Wang, Chen; tong, yu; Huang, Yixian; Zhang, Hong; Yang, Yanzhao","Selone behavior towards palladium(II) extraction with hydrophobic ionic liquids and mechanism studies","RSC Adv.","2015","","","","","10.1039/C5RA06334E","","","0.71073","MoKα","","0.2128","0.0743","","","0.1222","0.1695","","","","","","0.944","","","","has coordinates,has disorder","139943","2020-10-21","18:00:00",""
"7220985","7.7281","0.0002","10.2249","0.0003","29.6634","0.0012","90","","90.696","0.003","90","","2343.8","0.13","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Fe -","- C34 H22 Fe -","- C136 H88 Fe4 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Synergistic effect of donors on tetracyanobutadine (TCBD) substituted ferrocenyl pyrenes","RSC Adv.","2015","5","71","57692","","10.1039/C5RA11433K","","","0.71073","MoKα","","0.0493","0.0353","","","0.0817","0.0895","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220986","7.553","0.0004","15.471","0.0011","20.2441","0.0014","90","","90","","90","","2365.6","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 N Ti -","- C22 H33 Cl2 N Ti -","- C88 H132 Cl8 N4 Ti4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0678","0.0522","","","0.1261","0.1398","","","","","","1.108","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220987","7.607","0.005","15.343","0.01","20.501","0.006","90","","90","","90","","2393","2","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 N Zr -","- C22 H33 Cl2 N Zr -","- C88 H132 Cl8 N4 Zr4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0657","0.0493","","","0.1033","0.1142","","","","","","1.124","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220988","7.582","0.0004","15.3669","0.001","20.4961","0.0013","90","","90","","90","","2388","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 Hf N -","- C22 H33 Cl2 Hf N -","- C88 H132 Cl8 Hf4 N4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0368","0.0288","","","0.053","0.0569","","","","","","1.123","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220989","24.585","0.0016","9.292","0.0007","17.769","0.002","90","","94.609","0.007","90","","4046.1","0.6","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N2 Ti -","- C19 H28 Cl2 N2 Ti -","- C152 H224 Cl16 N16 Ti8 -","8","2","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.1061","0.0566","","","0.0958","0.1152","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220990","9.19","0.0004","9.73","0.0005","14.4511","0.0009","88.286","0.004","88.435","0.005","63.754","0.004","1158.32","0.11","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cl2 N2 Zr -","- C19 H28 Cl2 N2 Zr -","- C38 H56 Cl4 N4 Zr2 -","2","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.04","0.0351","","","0.0829","0.086","","","","","","1.022","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220991","9.095","0.0004","9.842","0.0005","16.5011","0.0016","102.455","0.005","96.228","0.005","91.467","0.004","1431.96","0.17","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H40 Cl2 N2 Zr -","- C26 H36 Cl2 N2 Zr -","- C52 H72 Cl4 N4 Zr2 -","2","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0702","0.0487","","","0.0972","0.1062","","","","","","1.022","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220992","9.2969","0.0007","10.357","0.0005","11.6491","0.0005","112.212","0.004","102.671","0.006","104.562","0.004","941.17","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Cl2 Hf2 N4 -","- C38 H54 Cl2 Hf2 N4 -","- C38 H54 Cl2 Hf2 N4 -","1","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0259","0.0237","","","0.0582","0.0596","","","","","","1.088","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7220993","10.2009","0.0005","10.5211","0.0007","10.614","0.0007","113.719","0.006","103.394","0.005","98.566","0.005","976.34","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 Cl2 N2 Zr2 -","- C42 H60 Cl2 N2 Zr2 -","- C42 H60 Cl2 N2 Zr2 -","1","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0361","0.0274","","","0.0591","0.0635","","","","","","1.093","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7220994","21.2253","0.0006","18.058","0.0003","11.1202","0.0004","90","","96.141","0.003","90","","4237.8","0.2","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 Cl2 N2 Zr2 -","- C44 H64 Cl2 N2 Zr2 -","- C176 H256 Cl8 N8 Zr8 -","4","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0825","0.0558","","","0.1289","0.1522","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220995","10.1859","0.0005","10.5241","0.0009","10.612","0.0007","113.815","0.005","103.68","0.004","98.356","0.005","973.38","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 Cl2 Hf2 N2 -","- C42 H60 Cl2 Hf2 N2 -","- C42 H60 Cl2 Hf2 N2 -","1","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0293","0.026","","","0.0632","0.0651","","","","","","1.096","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7220996","21.266","0.0003","18.0465","0.0006","11.0391","0.0003","90","","95.851","0.004","90","","4214.48","0.19","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 Cl2 Hf2 N2 -","- C44 H64 Cl2 Hf2 N2 -","- C176 H256 Cl8 Hf8 N8 -","4","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0538","0.0365","","","0.082","0.0963","","","","","","1.126","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220997","10.796","0.0011","11.405","0.002","14.398","0.003","90.892","0.013","90.032","0.011","105.131","0.012","1711.1","0.5","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Cl2 N4 Zr2 -","- C36 H50 Cl2 N4 Zr2 -","- C72 H100 Cl4 N8 Zr4 -","2","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.1125","0.0774","","","0.1587","0.1731","","","","","","1.225","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7220998","9.3661","0.0007","10.402","0.0008","11.5359","0.0007","111.082","0.004","103.324","0.005","105.615","0.005","940.6","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Cl2 N4 Zr2 -","- C38 H54 Cl2 N4 Zr2 -","- C38 H54 Cl2 N4 Zr2 -","1","0.5","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0404","0.0314","","","0.0707","0.0755","","","","","","1.106","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7220999","10.7501","0.0007","9.063","0.0006","27.246","0.002","90","","102.57","0.006","90","","2590.9","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl Hf N3 -","- C27 H38 Cl Hf N3 -","- C108 H152 Cl4 Hf4 N12 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0571","0.0391","","","0.0648","0.0713","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221000","10.552","0.0009","11.3391","0.001","19.268","0.0015","89.837","0.006","85.731","0.005","70.379","0.007","2164.9","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C46 H69 N3 Zr -","- C46 H69 N3 Zr -","- C92 H138 N6 Zr2 -","2","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.052","0.0377","","","0.078","0.0856","","","","","","1.114","","","","has coordinates","139946","2020-10-21","18:00:00",""
"7221001","32.452","0.003","21.855","0.002","12.2907","0.0012","90","","90","","90","","8717","1.4","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H32 Mn2 Mo18 N6 O79 P6 Sr -","- C10 H32 Mn2 Mo18 N6 O79 P6 Sr -","- C40 H128 Mn8 Mo72 N24 O316 P24 Sr4 -","4","0.5","","Yu, Kai; Zhang, He; Lv, Jinghua; Gong, Li-hong; Wang, Chunmei; wang, chunxiao; Wang, Lu; Zhou, Baibin","High-Efficiency Photo- and Electro-catalytic Material Based on Basket-Liked {SrP6Mo18O73} Cage","RSC Adv.","2015","","","","","10.1039/C5RA09573E","","","0.71073","MoKα","","0.0821","0.0634","","","0.1067","0.1141","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221002","32.475","0.002","22.412","0.003","20.852","0.003","90","","102.214","0.013","90","","14833","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[P8,8,8,1][Eu(dbm)4]","","","- C85 H98 Eu O8 P -","- C85 H98 Eu O8 P -","- C680 H784 Eu8 O64 P8 -","8","2","","Malba, Chandrashekhar Marotirao; Enrichi, Francesco; Facchin, Manuela; Demitri, Nicola; Plaisier, Jasper Rikkert; Natile, Marta Maria; Selva, Maurizio; Riello, Pietro; Perosa, Alvise; Benedetti, A.","Phosphonium-based tetrakis dibenzoylmethane Eu(III) and Sm(III) complexes: synthesis, crystal structure and photoluminescence properties in a weakly coordinating phosphonium ionic liquid","RSC Adv.","2015","","","","","10.1039/C5RA03947A","","","0.6526","Synchrotron","","0.0632","0.0607","","","0.1434","0.1449","","","","","","1.073","","","","has coordinates,has disorder","139948","2020-10-21","18:00:00",""
"7221003","16.169","0.003","22.341","0.004","20.962","0.002","90","","100.6","0.02","90","","7443","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[P8,8,8,1][Sm(dbm)4]","","","- C85 H98 O8 P Sm -","- C85 H98 O8 P Sm -","- C340 H392 O32 P4 Sm4 -","4","1","","Malba, Chandrashekhar Marotirao; Enrichi, Francesco; Facchin, Manuela; Demitri, Nicola; Plaisier, Jasper Rikkert; Natile, Marta Maria; Selva, Maurizio; Riello, Pietro; Perosa, Alvise; Benedetti, A.","Phosphonium-based tetrakis dibenzoylmethane Eu(III) and Sm(III) complexes: synthesis, crystal structure and photoluminescence properties in a weakly coordinating phosphonium ionic liquid","RSC Adv.","2015","","","","","10.1039/C5RA03947A","","","0.6525","Synchrotron","","0.1197","0.0879","","","0.2248","0.2559","","","","","","1.049","","","","has coordinates,has disorder","139948","2020-10-21","18:00:00",""
"7221004","26.4131","0.0003","23.2246","0.0002","17.9467","0.0002","90","","103.923","0.001","90","","10685.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H155 Mn Mo6 N10 O28 -","- C90 H155 Mn Mo6 N10 O28 -","- C360 H620 Mn4 Mo24 N40 O112 -","4","1","","Pradeep, Chullikkattil P.; Satyanarayana, V. S. V.; Reddy, P. Guru Prasad","Synthesis, Structure, Self-assembly and Genotoxicity Evaluation of a Series of Mn-Anderson Cluster based Polyoxometalate-organic Hybrids","RSC Adv.","2015","","","","","10.1039/C5RA07581E","","","0.71073","MoKα","","0.0565","0.0401","","","0.0886","0.0974","","","","","","1.047","","","","has coordinates","139949","2020-10-21","18:00:00",""
"7221005","19.1909","0.0003","19.5198","0.0003","27.7496","0.0004","90","","97.562","0.002","90","","10304.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H152 Mn Mo6 N9 O30 -","- C78 H136 Mn Mo6 N7 O28 -","- C312 H544 Mn4 Mo24 N28 O112 -","4","1","","Pradeep, Chullikkattil P.; Satyanarayana, V. S. V.; Reddy, P. Guru Prasad","Synthesis, Structure, Self-assembly and Genotoxicity Evaluation of a Series of Mn-Anderson Cluster based Polyoxometalate-organic Hybrids","RSC Adv.","2015","","","","","10.1039/C5RA07581E","","","0.71073","MoKα","","0.0365","0.0304","","","0.0739","0.0767","","","","","","1.058","","","","has coordinates","139949","2020-10-21","18:00:00",""
"7221006","15.531","0.005","10.833","0.003","17.549","0.005","90","","101.774","0.003","90","","2890.5","1.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 N2 O2 P Pd S -","- C34 H25 N2 O2 P Pd S -","- C136 H100 N8 O8 P4 Pd4 S4 -","4","1","","Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj","Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.","RSC Adv.","2015","","","","","10.1039/C5RA10973F","","","0.71073","MoKα","","0.0226","0.0205","","","0.0518","0.0531","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221007","15.5191","0.0014","9.0388","0.0008","19.9113","0.0017","90","","97.858","0.003","90","","2766.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pdohfhb","pdohfhb","","- C34 H25 N2 O3 P Pd -","- C34 H25 N2 O3 P Pd -","- C136 H100 N8 O12 P4 Pd4 -","4","1","","Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj","Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.","RSC Adv.","2015","","","","","10.1039/C5RA10973F","","","0.71073","MoKα","","0.0375","0.0281","","","0.0705","0.0774","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221008","15.3735","0.0013","8.9176","0.0008","20.6686","0.0015","90","","97.251","0.005","90","","2810.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 N3 O2 P Pd -","- C35 H26 N3 O2 P Pd -","- C140 H104 N12 O8 P4 Pd4 -","4","1","","Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj","Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.","RSC Adv.","2015","","","","","10.1039/C5RA10973F","","","1.54178","CuKα","","0.0368","0.0306","","","0.073","0.0744","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221009","33.698","0.007","8.9588","0.0018","10.793","0.002","90","","107.81","0.03","90","","3102.2","1.2","113","2","113","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H34.5 Cl N2 O4.75 -","- C33 H31 Cl N2 O4.75 -","- C132 H124 Cl4 N8 O19 -","4","1","","Wang, Jinhua; Zheng, Yan-Song; Xiong, Jia-Bin; Zhang, Xing; Song, Song; Zhu, Zhi-Hua","Tetraphenylethylene Imidazolium Macrocycle: Synthesis and Selective Fluorescence Turn-On Sensing of Pyrophosphate Anion","RSC Adv.","2015","","","","","10.1039/C5RA09721E","","","0.71073","MoKα","","0.0888","0.0752","","","0.2138","0.227","","","","","","1.048","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221010","12.8074","0.0009","14.852","0.0006","10.0676","0.0005","90","","111.024","0.007","90","","1787.53","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","","Sarkar, Rajib; Maji, Krishnendu; HALDAR, DEBASISH","An efficient one pot ipso-nitration: Structural transformation of a dipeptide by N-terminus modification","RSC Adv.","2015","","","","","10.1039/C5RA09789D","","","0.71073","MoKα","","0.0827","0.0679","","","0.1616","0.1688","","","","","","1.154","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221011","13.8537","0.0016","4.8506","0.0004","18.6706","0.0015","90","","90","","90","","1254.6","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","","Sarkar, Rajib; Maji, Krishnendu; HALDAR, DEBASISH","An efficient one pot ipso-nitration: Structural transformation of a dipeptide by N-terminus modification","RSC Adv.","2015","","","","","10.1039/C5RA09789D","","","0.71073","MoKα","","0.0833","0.069","","","0.1747","0.1945","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221019","13.1304","0.0007","16.5224","0.0009","19.2845","0.001","83.67","0.003","82.84","0.003","70.242","0.003","3896.3","0.4","123","","123","","","","","","","","J.M.Klein","5","P -1","-P 1","2","","","","- C82 H85 Cd2 N13 O16 -","- C82 H85 Cd2 N13 O16 -","- C164 H170 Cd4 N26 O32 -","2","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.0586","0.054","","0.1228","0.1212","0.1228","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221020","15.0312","0.0009","25.4508","0.0011","21.7048","0.0012","90","","92.051","0.004","90","","8298","0.8","123","","123","","","","","","","","M.Klein","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 Cd2 Cl9 N13 O15 -","- C72 H63 Cd2 N13 O15 -","- C288 H252 Cd8 N52 O60 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1228","0.0814","","0.2753","0.2242","0.2753","","","","","","0.9871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221021","17.336","0.003","17.302","0.003","18.817","0.003","90","","97.458","0.007","90","","5596.4","1.6","123","","123","","","","","","","","Max Klein","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cd N8 O10 -","- C58 H66 Cd N8 O10 -","- C232 H264 Cd4 N32 O40 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.1359","0.0986","","0.3369","0.2752","0.3369","","","","","","0.9707","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221022","25.945","0.006","24.578","0.005","17.527","0.003","90","","91.069","0.009","90","","11175","4","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H103 Cd2 Cl9 N16 O16 -","- C105 H101 Cd2 Cl3 N16 O16 -","- C420 H404 Cd8 Cl12 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1419","0.134","","0.3513","0.3465","0.3513","","","","","","1.0024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221023","25.2624","0.0012","25.0809","0.0011","16.7959","0.0008","90","","92.522","0.003","90","","10631.6","0.9","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 Cd2 Cl3 N16 O17 -","- C108 H108 Cd2 N16 O16 -","- C432 H432 Cd8 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1279","0.1026","","0.3071","0.2838","0.3071","","","","","","0.9905","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221026","12.9418","0.001","13.3852","0.0011","15.8438","0.0013","90","","90","","90","","2744.6","0.4","123","","123","","","","","","","","Fabian Brunner","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 Cu F18 N4 P -","- C24 H12 Cu F18 N4 P -","- C96 H48 Cu4 F72 N16 P4 -","4","1","","Brunner, Fabian; Klein, Y. Maximilian; Keller, Sarah; Morris, Collin D.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The beneficial effects of trifluoromethyl-substituents on the photoconversion efficiency of copper(i) dyes in dye-sensitized solar cells","RSC Adv.","2015","5","72","58694","","10.1039/C5RA09590E","","","1.54178","CuKα","","0.037","0.0369","","0.1038","0.1038","0.1038","","","","","","1.0014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221027","10.4213","0.0005","15.0974","0.0008","24.6279","0.0014","90","","90","","90","","3874.8","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Nitro-2-phenyl-1-(3-phenylpropyl)quinolin-4(1<i>H</i>)-one","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.0799","0.0493","","","0.1103","0.1234","","","","","","1.049","","","","has coordinates","140570","2020-10-21","18:00:00",""
"7221028","5.8177","0.0004","10.2341","0.0006","31.4579","0.0018","90","","94.982","0.002","90","","1865.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-bis(4-ethylphenyl)-4<i>H</i>-chromen-4-one","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.0674","0.0513","","","0.1247","0.1374","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221029","10.4745","0.0006","10.6976","0.0006","17.8031","0.0011","90","","91.384","0.003","90","","1994.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxybenzyl)-6-nitro-2-(4-tolyl)quinolin-4(1<i>H</i>)-one","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.1164","0.0505","","","0.1045","0.1328","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221030","10.567","0.0005","12.7739","0.0005","12.9152","0.0005","109.863","0.002","101.516","0.002","105.361","0.002","1498.23","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3,6-bis(4-ethylphenyl)-1-(4-methoxybenzyl)-2-(4-tolyl)quinolin-4(1<i>H</i>)-one","","- C39.74 H36.71 Br0.03 N O2 -","- C39.7408 H36.7084 Br0.0324 N O2 -","- C79.4816 H73.4168 Br0.0648 N2 O4 -","2","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.1178","0.0558","","","0.1135","0.1406","","","","","","1.013","","","","has coordinates,has disorder","140570","2020-10-21","18:00:00",""
"7221031","9.9322","0.001","13.6154","0.001","14.4052","0.0015","90","","90","","90","","1948","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-6-Nitro-1-(1-phenylethyl)-2-(4-tolyl)quinolin-4(1<i>H</i>)-one","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.0851","0.0414","","","0.0724","0.0959","","","","","","1.074","","","","has coordinates","140570","2020-10-21","18:00:00",""
"7221032","30.6044","0.0017","38.834","0.003","7.798","0.0004","90","","90","","90","","9267.9","1","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H23 Br2 N O3 -","- C25 H23 Br2 N O3 -","- C400 H368 Br32 N16 O48 -","16","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.075","0.0555","","","0.1492","0.1609","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221033","19.212","0.003","16.673","0.002","5.6278","0.0009","90","","90","","90","","1802.7","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H17 Cl N2 -","- C23 H17 Cl N2 -","- C92 H68 Cl4 N8 -","4","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.0441","0.0366","","","0.0968","0.1049","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221034","9.29","0.0011","19.234","0.002","11.2656","0.0014","90","","98.057","0.007","90","","1993.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.062","0.0462","","","0.1309","0.1437","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221035","16.233","0.0009","8.9312","0.0007","19.8754","0.0013","90","","106.06","0.003","90","","2769.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Br4 N O -","- C32 H20 Br4 N O -","- C128 H80 Br16 N4 O4 -","4","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.1173","0.0717","","","0.1792","0.2198","","","","","","1.025","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7221036","9.5356","0.0012","10.6128","0.0014","19.707","0.003","90","","99.537","0.004","90","","1966.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br2 N O -","- C23 H19 Br2 N O -","- C92 H76 Br8 N4 O4 -","4","1","","Pavankumar, C. S.; Harsha, Kachigere B.; Kempegowda, Mantelingu; K.S., Rangappa","Diastereoselective Synthesis of Fused Oxazolidines and Highly Substituted 1H-pyrrolo [2, 1-c][1,4] oxazines via C‒H functionalization","RSC Adv.","2015","","","","","10.1039/C5RA10030E","","","1.54178","CuKα","","0.1317","0.056","","","0.1543","0.1658","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221062","7.541","0.004","8.769","0.005","10.636","0.006","98.434","0.018","106.104","0.018","93.644","0.018","664.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","ab/pb/382p","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M.","Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions","RSC Adv.","2015","","","","","10.1039/C5RA12512J","","","0.71073","MoKα","","0.1152","0.0688","","","0.1448","0.1641","","","","","","1.386","","","","has coordinates","141020","2020-10-21","18:00:00",""
"7221063","8.243","0.002","19.74","0.006","12.654","0.004","90","","103.1","0.008","90","","2005.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C96 H92 N4 O20 S4 -","4","1","","Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M.","Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions","RSC Adv.","2015","","","","","10.1039/C5RA12512J","","","0.71073","MoKα","","0.0617","0.0479","","","0.0998","0.1028","","","","","","1.827","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221064","8.508","0.002","12.301","0.003","20.778","0.004","90","","114.172","0.007","90","","1983.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ab/pb/377p","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","","Basak, Amit; Bhattacharya, Prabuddha; Senapati, Kalyan; Chattopadhyay, Krishna; Mandal, Santi M.","Synthesis of Benzochromenes and Dihydrophenanthridines with Helical Motif using Garratt-Braverman and Buchwald-Hartwig Reactions","RSC Adv.","2015","","","","","10.1039/C5RA12512J","","","0.71073","MoKα","","0.0575","0.0407","","","0.0731","0.0751","","","","","","2.111","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221120","9.718","0.0005","10.2978","0.0005","12.2586","0.0005","89.871","0.004","80.34","0.004","74.104","0.004","1161.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C40 H34 Cl4 N10 O22 -","2","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1103","0.0973","","","0.2217","0.2281","","","","","","1.047","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221121","8.9344","0.0002","18.8814","0.0006","14.142","0.0004","90","","90.449","0.002","90","","2385.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C80 H68 Cl8 N20 O44 -","4","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1088","0.0711","","","0.1794","0.204","","","","","","1.066","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221122","32.842","0.007","8.4292","0.0017","17.392","0.004","90","","103.11","0.03","90","","4689.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C160 H136 Cl16 N40 O88 -","8","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.0813","0.0714","","","0.191","0.2012","","","","","","1.068","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221123","7.141","0.002","17.151","0.004","20.891","0.005","90","","99.18","0.03","90","","2525.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene acetonitrile monosolvate","","- C24 H13 N5 O4 S4 -","- C24 H13 N5 O4 S4 -","- C96 H52 N20 O16 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1038","0.0664","","","0.1564","0.1773","","","","","","1.096","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221124","7.3769","0.0011","9.3811","0.0009","18.9293","0.0019","81.218","0.007","88.805","0.01","75.958","0.01","1255.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate","","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C50 H25 Cl N8 O8 S8 -","2","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0762","0.0408","","","0.0921","0.1098","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221127","15.9432","0.0014","12.1351","0.0009","13.5738","0.0011","90","","104.572","0.007","90","","2541.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrathiafulvalene 9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid monohydrate","","- C23 H11 N5 O9 S4 -","- C23 H11 N5 O9 S4 -","- C92 H44 N20 O36 S16 -","4","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0647","0.0547","","","0.1448","0.1511","","","","","","1.064","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221128","10.0608","0.001","10.3528","0.0011","15.612","0.002","107.535","0.008","100.525","0.009","90.877","0.008","1520.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tris(Tetrathiafulvalene) bis(9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid) acetonitrile disolvate","","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","1","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0862","0.0569","","","0.1385","0.1567","","","","","","1.059","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221129","14.4612","0.0003","22.9608","0.0005","26.3393","0.0007","75.41","0.002","77.11","0.002","87.87","0.002","8248.7","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H344 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0993","0.0852","","","0.2198","0.2328","","","","","","1.021","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221130","12.7595","0.0006","18.6525","0.0012","20.5628","0.0012","94.553","0.005","100.514","0.004","106.892","0.005","4558.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C179 H188 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.2533","0.1607","","","0.3545","0.4141","","","","","","1.058","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221131","14.082","0.0002","19.2969","0.0004","30.278","0.0008","86.912","0.002","79.794","0.002","78.073","0.002","7921.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H180 Gd2 N4 O63 P2 S8 -","- C140 H116 Gd2 N4 O63 P2 S8 -","- C280 H232 Gd4 N8 O126 P4 S16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.1598","0.145","","","0.3709","0.3824","","","","","","1.002","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221132","19.6775","0.0018","7.2816","0.0009","6.0174","0.0006","90","","96.137","0.009","90","","857.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0734","0.0554","","","0.1322","0.1456","","","","","","1.005","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221135","9.671","0.0001","33.8375","0.0004","14.2619","0.0002","90","","93.22","0.001","90","","4659.73","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Br6 Cd3 N8 O1.5 -","- C36 H54 Br6 Cd3 N8 O1.5 -","- C144 H216 Br24 Cd12 N32 O6 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0467","0.0413","","","0.0976","0.1003","","","","","","1.147","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221136","13.149","0.005","14.006","0.005","15.694","0.006","87.296","0.007","66.076","0.007","81.938","0.006","2615.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Cl4 N11 O14 Zn2 -","- C42 H63 Cl4 N11 O14 Zn2 -","- C84 H126 Cl8 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1103","0.055","","","0.137","0.1651","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221137","13.253","0.004","14.04","0.005","15.795","0.005","87.47","0.006","65.997","0.006","82.199","0.006","2659.8","1.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C84 H134 Br2 Cl6 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1004","0.0554","","","0.1537","0.1823","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221138","10.0947","0.0003","18.4694","0.0005","26.2626","0.0007","90","","99.587","0.003","90","","4828.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl6 Hg3 N8 O2 -","- C36 H58 Cl6 Hg3 N8 O2 -","- C144 H232 Cl24 Hg12 N32 O8 -","4","0.5","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1349","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221139","9.641","0.0002","33.6643","0.0007","14.2372","0.0003","90","","92.897","0.002","90","","4614.88","0.17","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56.5 Br6 Hg3 N8 O1.25 -","- C36 H54 Br6 Hg3 N8 O1.25 -","- C144 H216 Br24 Hg12 N32 O5 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0542","0.0407","","","0.089","0.0954","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221141","7.9591","0.0004","4.8417","0.0003","23.7648","0.0014","90","","94.296","0.005","90","","913.22","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N3 O3 -","- C7 H11 N3 O3 -","- C28 H44 N12 O12 -","4","1","","Khan, Abu Taleb; Ray Bagdi, Prasanta; Basha R, Sidick","Synthesis of 2-triazolyl-imidazo[1,2-a]pyridine through one-pot three-component reaction using nano copper oxide assisted click-catalyst","RSC Adv.","2015","","","","","10.1039/C5RA09671E","","","0.71073","MoKα","","0.0769","0.0481","","","0.0956","0.1144","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221142","10.5296","0.0011","17.3251","0.0018","22.405","0.002","90","","90","","90","","4087.3","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N5 -","- C23 H18 Br N5 -","- C184 H144 Br8 N40 -","8","1","","Khan, Abu Taleb; Ray Bagdi, Prasanta; Basha R, Sidick","Synthesis of 2-triazolyl-imidazo[1,2-a]pyridine through one-pot three-component reaction using nano copper oxide assisted click-catalyst","RSC Adv.","2015","","","","","10.1039/C5RA09671E","","","0.71073","MoKα","","0.1445","0.0503","","","0.1389","0.1813","","","","","","0.93","","","","has coordinates","141472","2020-10-21","18:00:00",""
"7221143","9.1436","0.0003","16.8343","0.0005","19.0478","0.0006","90","","95.165","0.001","90","","2920.05","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl2 Co N P2 -","- C31 H35 Cl2 Co N P2 -","- C124 H140 Cl8 Co4 N4 P8 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Omondi, Bernard","Cobalt “PNP” aminodiphosphine complexes as catalysts in the oxidation of n-octane.","RSC Adv.","2015","","","","","10.1039/C5RA07365K","","","0.71073","MoKα","","0.0301","0.0229","","","0.0496","0.0534","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221144","9.7475","0.0016","11.1289","0.0018","30.195","0.005","90","","104.044","0.009","90","","3177.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl2 Co N P2 -","- C34 H39 Cl2 Co N P2 -","- C136 H156 Cl8 Co4 N4 P8 -","4","1","","Naicker, Dunesha; Friedrich, Holger B.; Omondi, Bernard","Cobalt “PNP” aminodiphosphine complexes as catalysts in the oxidation of n-octane.","RSC Adv.","2015","","","","","10.1039/C5RA07365K","","","0.71073","MoKα","","0.1375","0.1014","","","0.2331","0.2449","","","","","","1.17","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","171079","2020-10-21","18:00:00",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221150","14.521","0.003","7.7378","0.0015","15.997","0.003","90","","106.4","0.03","90","","1724.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O5 Zn -","- C16 H16 N4 O5 Zn -","- C64 H64 N16 O20 Zn4 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0535","0.0424","","","0.0988","0.1034","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221151","16.0364","0.0006","7.6528","0.0003","35.3947","0.0014","90","","99.7638","0.0013","90","","4280.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C166 H178 N38 O50 Zn8 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0852","0.0518","","","0.1497","0.1744","","","","","","1.022","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221152","16.9909","0.0015","7.6688","0.0007","16.0077","0.0015","90","","102.322","0.002","90","","2037.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.3 H29.45 N9.15 O10 Zn2 -","- C32.3 H29.45 N9.15 O10 Zn2 -","- C64.6 H58.9 N18.3 O20 Zn4 -","2","0.5","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.124","0.0851","","","0.2369","0.2651","","","","","","1.136","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221153","14.8546","0.0003","4.93706","0.00009","16.1007","0.0004","90","","92.2269","0.0013","90","","1179.9","0.04","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C56 H68 N4 O4 -","2","0.5","","Hasegawa, Tsukasa; Ashizawa, Minoru; Matsumoto, Hidetoshi","Design and Structure-Property Relationship of Benzothienoisoindigo in Organic Field Effect Transistors","RSC Adv.","2015","","","","","10.1039/C5RA07660A","","","1.54187","CuKα","","","0.0359","","","","0.1018","","","","","","1.1","","","","has coordinates","141559","2020-10-21","18:00:00",""
"7221154","19.297","0.0003","8.24241","0.0001","15.6572","0.0002","90","","114.824","","90","","2260.23","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O2 S2 -","- C24 H30 N2 O2 S2 -","- C96 H120 N8 O8 S8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Matsumoto, Hidetoshi","Design and Structure-Property Relationship of Benzothienoisoindigo in Organic Field Effect Transistors","RSC Adv.","2015","","","","","10.1039/C5RA07660A","","","1.54187","CuKα","","","0.0399","","","","0.1094","","","","","","1.075","","","","has coordinates","141559","2020-10-21","18:00:00",""
"7221155","5.05526","0.00009","8.31652","0.00015","16.4731","0.0003","79.8632","0.001","87.76","0.0012","86.0505","0.001","679.88","0.02","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O2 S2 -","- C32 H34 N2 O2 S2 -","- C32 H34 N2 O2 S2 -","1","0.5","","Hasegawa, Tsukasa; Ashizawa, Minoru; Matsumoto, Hidetoshi","Design and Structure-Property Relationship of Benzothienoisoindigo in Organic Field Effect Transistors","RSC Adv.","2015","","","","","10.1039/C5RA07660A","","","1.54187","CuKα","","","0.0475","","","","0.1455","","","","","","1.137","","","","has coordinates","141559","2020-10-21","18:00:00",""
"7221183","6.0311","0.0009","8.0981","0.0013","9.9218","0.0016","90.914","0.003","93.41","0.003","109.261","0.003","456.33","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C18 H14 N6 O6 -","2","1","","Zhu, Fengjuan; Zou, Minming; Shao, Xusheng; Li, Z.","On-water, Catalyst-Free and Room-temperature Construction of 2-Aryl-1,3,4-oxadiazole Derivatives from 1,1-Dichloro-2-nitroethene and Hydrazides","RSC Adv.","2015","","","","","10.1039/C5RA11213C","","","0.71073","MoKα","","0.0474","0.0405","","","0.1071","0.1122","","","","","","1.128","","","","has coordinates","144574","2020-10-21","18:00:00",""
"7221184","8.5361","0.0004","6.5988","0.0003","13.2935","0.0007","90","","103.374","0.001","90","","728.49","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 N9 O -","- C2 H9 N9 O -","- C8 H36 N36 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0445","0.0356","","","0.1008","0.1092","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221185","9.8873","0.0007","5.5314","0.0003","13.6734","0.0009","90","","90","","90","","747.81","0.08","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 N5 O -","- C H3 N5 O -","- C8 H24 N40 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0761","0.0415","","","0.0928","0.114","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221186","10.6535","0.0007","6.5711","0.0005","6.9431","0.0006","90","","101.531","0.002","90","","476.24","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H6 N6 O -","- C H6 N6 O -","- C4 H24 N24 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0965","0.0681","","","0.181","0.2048","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221187","12.7785","0.0011","6.41","0.0006","16.5787","0.0015","90","","93.303","0.001","90","","1355.7","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 N8 O -","- C2 H8 N8 O -","- C16 H64 N64 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0602","0.0408","","","0.1067","0.1169","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221188","6.07","0.0006","7.1682","0.0007","10.6018","0.0009","76.852","0.001","88.343","0.002","65.406","0.001","407.32","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C6 H16 N20 O2 -","2","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.1121","0.0817","","","0.193","0.2065","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221189","7.0441","0.0005","12.0324","0.0011","10.1093","0.0008","90","","105.964","0.002","90","","823.79","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 N10 O -","- C2 H10 N10 O -","- C8 H40 N40 O4 -","4","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0836","0.0468","","","0.0848","0.0908","","","","","","1.185","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221190","12.8237","0.0006","6.7049","0.0003","20.2018","0.001","90","","90","","90","","1736.98","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H11 N11 O -","- C2 H11 N11 O -","- C16 H88 N88 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0533","0.0369","","","0.0872","0.0985","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221191","8.404","0.002","13.281","0.003","11.867","0.003","90","","102.612","0.005","90","","1292.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 F5 N3 O3 -","- C13 H6 F5 N3 O3 -","- C52 H24 F20 N12 O12 -","4","1","","Banerjee, Priyabrata; Roy Chowdhury, Additi; Ghosh, Pritam; Roy, Biswajit Gopal; Mitra, Partha; Mukhopadhyay, Subhra Kanti","A simple and dual responsive efficient new Schiff base chemoreceptor for selective sensing of F- and Hg2+: application to bioimaging in living cells and mimicking of molecular logic gates","RSC Adv.","2015","","","","","10.1039/C5RA06105A","","","0.71073","MoKα","","0.0839","0.0751","","","0.2086","0.2322","","","","","","1.22","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221527","12.6305","0.0012","14.5753","0.0007","22.114","0.003","93.228","0.006","100.746","0.009","98.776","0.006","3937.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H0 Cl0 Cu3 N3 O21 P3 -","- C42 H24 Cu3 N3 O21 P3 -","- C84 H48 Cu6 N6 O42 P6 -","2","1","","Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing","A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature","CrystEngComm","2015","17","33","6314","","10.1039/C5CE00930H","","","1.54184","CuKα","","0.2527","0.1921","","","0.4431","0.491","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221528","9.3226","0.0009","12.5095","0.0012","18.7848","0.0018","90","","94.335","0.002","90","","2184.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br2 N6 O12 U2 -","- C46 H26 Br2 N6 O12 U2 -","- C92 H52 Br4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0269","0.0202","","","0.0417","0.0436","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221529","9.2926","0.0003","12.5893","0.0005","18.697","0.0007","90","","95.618","0.001","90","","2176.81","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 N6 O12 U2 -","- C46 H26 Cl2 N6 O12 U2 -","- C92 H52 Cl4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0297","0.0211","","","0.0405","0.0428","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221530","8.0743","0.0009","11.9715","0.0014","15.0411","0.0017","106.612","0.001","102.208","0.001","100.75","0.001","1313.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0823","0.046","","","0.1062","0.1217","","","","","","0.977","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221531","8.0819","0.0006","12.6732","0.001","13.3764","0.001","100.472","0.001","91.219","0.001","98.444","0.001","1331.01","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0744","0.0434","","","0.0783","0.0873","","","","","","1.029","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221532","10.534","0.0008","11.5475","0.0008","13.4109","0.001","68.203","0.001","77.871","0.001","87.132","0.001","1480.17","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0549","0.042","","","0.1037","0.1105","","","","","","1.069","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221533","7.9974","0.0013","12.0617","0.0019","14.965","0.002","106.548","0.002","101.601","0.002","101.362","0.002","1304.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0603","0.0473","","","0.116","0.1231","","","","","","1.02","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221534","9.314","0.004","10.897","0.005","14.017","0.006","67.557","0.006","77.931","0.007","85.379","0.007","1285.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0529","0.0333","","","0.0623","0.0681","","","","","","1.016","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221535","12.6775","0.0002","15.1101","0.0002","17.6845","0.0003","90","","106.229","0.002","90","","3252.62","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 N6 -","- C42 H28 N6 -","- C168 H112 N24 -","4","1","","xu, liang; Zhao, Yongbiao; Long, Guankui; Wang, Yue; Zhao, Jun; Li, Dong-Sheng; Li, Junbo; Rakesh, Ganguly; Li, Yongxin; Sun, Handong; Sun, Xiaowei; Zhang, qichun","Synthesis, structure, physical properties and OLED application of pyrazine‒triphenylamine fused conjugated compounds","RSC Adv.","2015","","","","","10.1039/C5RA12654A","","","1.54178","CuKα","","0.0633","0.0536","","","0.1466","0.1585","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221536","11.6778","0.0008","12.0781","0.0008","13.0471","0.0008","93.976","0.002","114.75","0.002","102.659","0.002","1603.4","0.19","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H31 N5 -","- C43 H31 N5 -","- C86 H62 N10 -","2","1","","xu, liang; Zhao, Yongbiao; Long, Guankui; Wang, Yue; Zhao, Jun; Li, Dong-Sheng; Li, Junbo; Rakesh, Ganguly; Li, Yongxin; Sun, Handong; Sun, Xiaowei; Zhang, qichun","Synthesis, structure, physical properties and OLED application of pyrazine‒triphenylamine fused conjugated compounds","RSC Adv.","2015","","","","","10.1039/C5RA12654A","","","0.71073","MoKα","","0.1073","0.0606","","","0.1376","0.1626","","","","","","1.051","","","","has coordinates,has disorder","152029","2020-10-21","18:00:00",""
"7221537","9.9549","0.0005","16.5068","0.001","18.7404","0.0012","92.744","0.004","102.632","0.004","107.076","0.003","2851.7","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H71 Cl2 N5 O -","- C70 H71 Cl2 N5 O -","- C140 H142 Cl4 N10 O2 -","2","1","","xu, liang; Zhao, Yongbiao; Long, Guankui; Wang, Yue; Zhao, Jun; Li, Dong-Sheng; Li, Junbo; Rakesh, Ganguly; Li, Yongxin; Sun, Handong; Sun, Xiaowei; Zhang, qichun","Synthesis, structure, physical properties and OLED application of pyrazine‒triphenylamine fused conjugated compounds","RSC Adv.","2015","","","","","10.1039/C5RA12654A","","","0.71073","MoKα","","0.1729","0.0981","","","0.2637","0.3184","","","","","","1.049","","","","has coordinates,has disorder","152029","2020-10-21","18:00:00",""
"7221538","17.859","0.0004","10.2274","0.0003","27.1517","0.0007","90","","128.037","0.002","90","","3906","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cl4 N5 O3 Pr S6 -","- C29 H36 Cl4 N5 O3 Pr S6 -","- C116 H144 Cl16 N20 O12 Pr4 S24 -","4","1","","Nayek, Hari Pada; Mahato, Mamata; Jana, Partha P.; Harms, Klaus","Lanthanide (III) Morpholine 4-Dithiocarbamate Complexes: Pr(III) Derivative Shows First Example of Polymeric Lanthanide(III) Dithiocarbamate","RSC Adv.","2015","","","","","10.1039/C5RA09595F","","","0.71073","MoKα","","0.0783","0.0541","","","0.1209","0.1305","","","","","","1.058","","","","has coordinates,has disorder","152030","2020-10-21","18:00:00",""
"7221539","10.783","0.0007","10.922","0.0008","17.282","0.0013","78.322","0.007","88.233","0.006","65.392","0.007","1808.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Cl2 N5 Nd O3 S6 -","- C28 H34 Cl2 N5 Nd O3 S6 -","- C56 H68 Cl4 N10 Nd2 O6 S12 -","2","1","","Nayek, Hari Pada; Mahato, Mamata; Jana, Partha P.; Harms, Klaus","Lanthanide (III) Morpholine 4-Dithiocarbamate Complexes: Pr(III) Derivative Shows First Example of Polymeric Lanthanide(III) Dithiocarbamate","RSC Adv.","2015","","","","","10.1039/C5RA09595F","","","0.71073","MoKα","","0.0543","0.038","","","0.0782","0.0835","","","","","","1.009","","","","has coordinates","152030","2020-10-21","18:00:00",""
"7221540","10.6899","0.0005","10.718","0.0005","16.9914","0.0008","78.016","0.002","88.254","0.002","65.53","0.002","1729.92","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Cl2 Eu N5 O3 S6 -","- C28 H34 Cl2 Eu N5 O3 S6 -","- C56 H68 Cl4 Eu2 N10 O6 S12 -","2","1","","Nayek, Hari Pada; Mahato, Mamata; Jana, Partha P.; Harms, Klaus","Lanthanide (III) Morpholine 4-Dithiocarbamate Complexes: Pr(III) Derivative Shows First Example of Polymeric Lanthanide(III) Dithiocarbamate","RSC Adv.","2015","","","","","10.1039/C5RA09595F","","","0.71073","MoKα","","0.0207","0.0188","","","0.048","0.0489","","","","","","1.06","","","","has coordinates,has disorder","152030","2020-10-21","18:00:00",""
"7221541","13.7886","0.0002","7.5549","0.0001","15.5888","0.0002","90","","94.963","0.001","90","","1617.82","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl8 Co N3 -","- C24 H33 Cl8 Co N3 -","- C48 H66 Cl16 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0309","0.0264","","","0.0569","0.0587","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221542","13.9263","0.0014","7.5981","0.0006","15.8322","0.0013","90","","95.173","0.006","90","","1668.4","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl8 Co N3 -","- C24 H33 Cl8 Co N3 -","- C48 H66 Cl16 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0622","0.0401","","","0.0801","0.0894","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221543","13.9448","0.0002","7.5033","0.0001","14.4057","0.0002","90","","98.471","0.001","90","","1490.85","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl5 Co N3 -","- C24 H36 Cl5 Co N3 -","- C48 H72 Cl10 Co2 N6 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.0495","0.0378","","","0.0769","0.0816","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221544","7.1784","0.0001","10.5916","0.0001","14.2341","0.0001","90.529","0.001","92.765","0.001","98.009","0.001","1070.29","0.02","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl4 Co F2 N2 -","- C16 H22 Cl4 Co F2 N2 -","- C32 H44 Cl8 Co2 F4 N4 -","2","1","","Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney","Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures","RSC Adv.","2015","","","","","10.1039/C5RA11719D","","","0.71073","MoKα","","0.062","0.0415","","","0.0977","0.1089","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221545","7.6966","0.0011","11.8544","0.0018","17.34","0.003","75.599","0.014","84.866","0.013","82.605","0.013","1516.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","2","","Dhevalapally, Ramachary Buchi; Patoju, Murali Krishna; Peesapati, Sruthi","Azide-acetonitrile “click” reaction triggered by Cs2CO3: the atom-economic, high-yielding synthesis of 5-amino-1,2,3-triazoles","RSC Adv.","2015","","","","","10.1039/C5RA12308A","","","0.71073","MoKα","","0.2733","0.084","","","0.1155","0.1819","","","","","","0.91","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","153129","2020-10-21","18:00:00",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221550","15.5721","0.0011","15.585","0.0011","15.7385","0.0011","66.294","0.001","86.318","0.001","67.269","0.001","3206.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co2 N8 O19 S4 -","- C64 H44 Co2 N8 O19 S4 -","- C128 H88 Co4 N16 O38 S8 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0871","0.0513","","","0.1528","0.182","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221551","9.0099","0.0012","9.0949","0.0015","9.526","0.002","115.448","0.019","114.236","0.018","96.055","0.013","603.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-HQ","3-Hydroxyquinolones","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Jiménez-Sánchez, Arturo; Yatsimirsky, Anatoly K.","Acid-base and coordination properties of 2-phenyl-3-hydroxy-4-quinolones in aqueous media","RSC Adv.","2015","","","","","10.1039/C5RA10217K","","","0.71073","MoKα","","0.0708","0.0569","","","0.1538","0.1738","","","","","","1.08","","","","has coordinates","152075","2020-10-21","18:00:00",""
"7221552","11.787","0.002","7.459","0.0015","11.559","0.002","90","","103.14","0.03","90","","989.7","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu2 Dy N9 O14 -","- C8 H12 Cu2 Dy N9 O14 -","- C16 H24 Cu4 Dy2 N18 O28 -","2","0.5","","Jiang, Xue; Han, Song-De; Zhao, Ran; Xu, Jian; Bu, Xian-He","Ln(III) ion dependent magnetism in heterometallic Cu-Ln complexes based on azide and 1,2,3-triazole-4,5-dicarboxylate as co-ligands","RSC Adv.","2015","","","","","10.1039/C5RA07972A","","","0.71073","MoKα","","0.0596","0.0549","","","0.1221","0.1244","","","","","","1.177","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221553","11.827","0.002","7.4867","0.0015","11.557","0.002","90","","103.03","0.03","90","","997","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu2 Gd N9 O14 -","- C8 H12 Cu2 Gd N9 O14 -","- C16 H24 Cu4 Gd2 N18 O28 -","2","0.5","","Jiang, Xue; Han, Song-De; Zhao, Ran; Xu, Jian; Bu, Xian-He","Ln(III) ion dependent magnetism in heterometallic Cu-Ln complexes based on azide and 1,2,3-triazole-4,5-dicarboxylate as co-ligands","RSC Adv.","2015","","","","","10.1039/C5RA07972A","","","0.71073","MoKα","","0.0574","0.0448","","","0.0657","0.0685","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221554","11.878","0.002","7.4838","0.0015","11.582","0.002","90","","103.09","0.03","90","","1002.8","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu2 N9 O14 Sm -","- C8 H12 Cu2 N9 O14 Sm -","- C16 H24 Cu4 N18 O28 Sm2 -","2","0.5","","Jiang, Xue; Han, Song-De; Zhao, Ran; Xu, Jian; Bu, Xian-He","Ln(III) ion dependent magnetism in heterometallic Cu-Ln complexes based on azide and 1,2,3-triazole-4,5-dicarboxylate as co-ligands","RSC Adv.","2015","","","","","10.1039/C5RA07972A","","","0.71073","MoKα","","0.0523","0.0476","","","0.1052","0.1066","","","","","","1.336","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221555","11.819","0.002","7.3367","0.0015","11.533","0.002","90","","103.19","0.03","90","","973.7","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu2 N9 O14 Tb -","- C8 H12 Cu2 N9 O14 Tb -","- C16 H24 Cu4 N18 O28 Tb2 -","2","0.5","","Jiang, Xue; Han, Song-De; Zhao, Ran; Xu, Jian; Bu, Xian-He","Ln(III) ion dependent magnetism in heterometallic Cu-Ln complexes based on azide and 1,2,3-triazole-4,5-dicarboxylate as co-ligands","RSC Adv.","2015","","","","","10.1039/C5RA07972A","","","0.71073","MoKα","","0.0801","0.0634","","","0.1344","0.143","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221556","13.0342","0.0016","11.9408","0.0015","16.232","0.002","90","","96.921","0.003","90","","2507.9","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 O2 -","- C31 H32 N4 O2 -","- C124 H128 N16 O8 -","4","1","","Singh, Akhilesh Kumar; Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Chakraborty, Ayon; Biswas, Ashis","Synthesis and Characterization of a Novel, Ditopic, Reversible and Highly Selective “Turn-On” Fluorescent Chemosensor for Al3+ Ion","RSC Adv.","2015","","","","","10.1039/C5RA12040C","","","0.71073","MoKα","","0.085","0.0546","","","0.1418","0.1574","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221557","9.2889","0.0019","17.158","0.003","11.652","0.002","90","","90","","90","","1857.1","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2h","","- C19 H29 N O2 S -","- C19 H29 N O2 S -","- C76 H116 N4 O8 S4 -","4","1","","Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming","On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins","RSC Adv.","2015","5","75","61081","","10.1039/C5RA10513G","","","0.71073","MoKα","","0.0585","0.0441","","","0.0986","0.1084","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221558","11.089","0.002","13.375","0.003","16.281","0.003","80.22","0.03","77.6","0.03","77.15","0.03","2280.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O2 S -","- C26 H29 N O2 S -","- C104 H116 N4 O8 S4 -","4","2","","Yang, Chun-Hua; Fan, Wen-Wen; Liu, Gong-Qing; Duan, Lili; Li, Lin; Li, Yue-Ming","On the understanding of BF3·Et2O-promoted intra- and intermolecular amination and oxygenation of unfunctionalized olefins","RSC Adv.","2015","5","75","61081","","10.1039/C5RA10513G","","","0.71073","MoKα","","0.0868","0.054","","","0.1309","0.1512","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221559","8.6739","0.0004","9.7386","0.0004","11.1516","0.0005","75.139","0.001","74.865","0.002","88.181","0.002","878.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 F N3 O3 -","- C19 H18 F N3 O3 -","- C38 H36 F2 N6 O6 -","2","1","","Meenatchi, V.; Meenakshisundaram, SP.","Synthesis, growth, spectral studies, first-order molecular hyperpolarizability and Hirshfeld surface analysis of isonicotinohydrazide single crystals","RSC Adv.","2015","","","","","10.1039/C5RA08454G","","","0.71073","MoKα","","0.047","0.0384","","","0.1055","0.1124","","","","","","1.058","","","","has coordinates,has disorder","152079","2020-10-21","18:00:00",""
"7221560","7.89","0.005","16.186","0.011","15.193","0.01","90","","98.385","0.01","90","","1920","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O4 -","- C22 H17 Cu N3 O4 -","- C88 H68 Cu4 N12 O16 -","4","1","","Wang, Dan; Zheng, Jianquan; yan, xi; Zheng, Xiangjun; Jin, Lin-Pei","A Cu(II) Complex-based Fluorescence Chemosensor for Cyanide in Aqueous Media","RSC Adv.","2015","","","","","10.1039/C5RA09511E","","","0.71073","MoKα","","0.0445","0.036","","","0.1267","0.1339","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221561","17.749","0.015","6.37","0.004","13.977","0.009","90","","115.421","0.013","90","","1427.3","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 K2 O15 P2 V2 -","- C2 H8 K2 O15 P2 V2 -","- C8 H32 K8 O60 P8 V8 -","4","0.5","","Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries","RSC Adv.","2015","5","74","60630","","10.1039/C5RA12410G","","","0.71073","MoKα","","0.0537","0.0477","","","0.117","0.1212","","","","","","1.025","","","","has coordinates","152081","2020-10-21","18:00:00",""
"7221562","6.3255","0.0004","6.776","0.0005","8.0759","0.0006","104.992","0.001","101.679","0.001","99.12","0.001","319.2","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H6 Na2 O14 P2 V2 -","- C2 H6 Na2 O14 P2 V2 -","- C2 H6 Na2 O14 P2 V2 -","1","0.5","","Hameed, A. Shahul; Reddy, M. V.; Sarkar, Nirjhar; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical investigation of novel phosphite based layered cathodes for Li-ion batteries","RSC Adv.","2015","5","74","60630","","10.1039/C5RA12410G","","","0.71073","MoKα","","0.0307","0.0288","","","0.0734","0.0745","","","","","","1.059","","","","has coordinates","152081","2020-10-21","18:00:00",""
"7221563","7.3527","0.00018","13.6016","0.0004","15.7824","0.0004","90","","90","","90","","1578.37","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","","Bedekar, Ashutosh; Jain, Nilesh","Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene","RSC Adv.","2015","","","","","10.1039/C5RA11626K","","","1.54184","CuKα","","0.0649","0.064","","","0.1788","0.1806","","","","","","1.097","","","","has coordinates","152127","2020-10-21","18:00:00",""
"7221564","8.2328","0.0005","8.8177","0.0004","11.1343","0.0007","95.635","0.004","97.037","0.005","95.431","0.004","793.65","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C40 H40 O6 -","2","1","","Bedekar, Ashutosh; Jain, Nilesh","Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene","RSC Adv.","2015","","","","","10.1039/C5RA11626K","","","1.54184","CuKα","","0.0618","0.0578","","","0.1624","0.1662","","","","","","1.102","","","","has coordinates","152127","2020-10-21","18:00:00",""
"7221565","10.5625","0.0003","12.0642","0.0004","15.9997","0.0005","90","","90","","90","","2038.81","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O4 -","- C23 H23 Cl O4 -","- C92 H92 Cl4 O16 -","4","1","","Bedekar, Ashutosh; Jain, Nilesh","Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene","RSC Adv.","2015","","","","","10.1039/C5RA11626K","","","1.54184","CuKα","","0.0504","0.0477","","","0.1316","0.1363","","","","","","1.046","","","","has coordinates","152127","2020-10-21","18:00:00",""
"7221566","10.7736","0.0002","15.2684","0.0003","18.6621","0.0003","90","","104.275","0.001","90","","2975.05","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C152 H120 Br8 O8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0408","0.0292","","","0.075","0.0801","","","","","","1.035","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221567","10.7837","0.0002","15.2773","0.0004","18.8871","0.0004","90","","104.273","0.001","90","","3015.52","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C152 H128 Br8 N8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.034","0.0272","","","0.0733","0.0782","","","","","","1.006","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221570","15.6058","0.0003","18.7804","0.0004","21.1189","0.0004","68.874","0.001","74.947","0.001","74.08","0.001","5462.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O -","- C25 H20 O -","- C300 H240 O12 -","12","6","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0873","0.0521","","","0.1254","0.1522","","","","","","1.005","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221571","11.328","0.005","5.042","0.002","15.578","0.007","90","","109.947","0.011","90","","836.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenyl-2-formylpyrrole","5-phenyl-1H-pyrrole-2-carbaldehyde","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0603","0.0443","","","0.1191","0.1279","","","","","","1.065","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221572","8.0139","0.0018","13.509","0.002","10.342","0.002","90","","102.552","0.009","90","","1092.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(3,5-dimethylphenyl)-2-formylpyrrole","5-(3,5-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1782","0.1218","","","0.2843","0.2996","","","","","","0.897","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221573","13.086","0.002","4.7468","0.0007","19.887","0.003","90","","105.901","0.009","90","","1188","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(3,5-bis(trifluoromethyl)phenyl)-2-formylpyrrole","5-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H7 F6 N O -","- C13 H7 F6 N O -","- C52 H28 F24 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0962","0.0446","","","0.0863","0.0972","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221574","8.6799","0.0013","9.8371","0.0013","12.608","0.002","72.477","0.007","70.308","0.005","65.232","0.004","904.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-(2,4,6-triisopropylphenyl)-2-formylpyrrole","5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde","","- C20 H27 N O -","- C20 H27 N O -","- C40 H54 N2 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1054","0.0498","","","0.1036","0.1169","","","","","","0.942","","","","has coordinates,has disorder","171085","2020-10-21","18:00:00",""
"7221575","7.9115","0.0007","23.9817","0.0018","11.4591","0.001","90","","96.844","0.003","90","","2158.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(2,6-dimethylphenyl)-2-formylpyrrole","5-(2,6-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1172","0.0521","","","0.0941","0.1098","","","","","","0.913","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221578","10.331","0.002","13.446","0.003","16.673","0.003","90","","110.858","0.009","90","","2164.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N5 O8 S -","- C17 H21 Cd N5 O8 S -","- C68 H84 Cd4 N20 O32 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.057","0.0507","","","0.1252","0.1296","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221579","6.941","0.002","24.44","0.008","13.04","0.004","90","","107.867","0.013","90","","2105.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 S -","- C18 H21 Cd N5 O7 S -","- C72 H84 Cd4 N20 O28 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.1384","0.0871","","","0.1871","0.2101","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221580","8.9864","0.0004","15.9532","0.0008","20.1727","0.001","90","","101.463","0.001","90","","2834.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N6 O9 S2 -","- C22 H24 Cd N6 O9 S2 -","- C88 H96 Cd4 N24 O36 S8 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0327","0.0267","","","0.0656","0.0693","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221581","12.7557","0.0005","15.4715","0.0005","22.2958","0.0008","90","","96.906","0.001","90","","4368.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cd N5 O6 S -","- C19 H21 Cd N5 O6 S -","- C152 H168 Cd8 N40 O48 S8 -","8","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0363","0.0298","","","0.0634","0.0663","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221583","4.8788","0.0004","10.1605","0.0006","12.1307","0.0009","79.331","0.005","81.744","0.007","86.251","0.005","584.35","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","N-(7-trifluoromethyl)-1H-indazol-3-yl)butyramide","","- C12 H12 F3 N3 O -","- C12 H12 F3 N3 O -","- C24 H24 F6 N6 O2 -","2","1","","Garcia, Ana Maria; Jung, Nicole; Gil, Carmen; Nieger, Martin; Braese, Stefan","Solid Phase Synthesis of Functionalized Indazoles using Triazenes ‒ Scope and Limitations","RSC Adv.","2015","","","","","10.1039/C5RA09705C","","","0.71073","MoKα","","0.0642","0.0421","","","0.0942","0.1041","","","","","","1.038","","","","has coordinates,has disorder","152153","2020-10-21","18:00:00",""
"7221584","8.3451","0.0017","19.104","0.004","15.096","0.003","90","","90","","90","","2406.7","0.9","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl2 Dy2 N2 O17 -","- C16 H12 Cl2 Dy2 N2 O17 -","- C64 H48 Cl8 Dy8 N8 O68 -","4","0.5","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","Slow magnetic relaxation of a three-dimensional metal-organic framework featuring a unique dysprosium(III) oxalate layer","RSC Adv.","2015","","","","","10.1039/C5RA11621J","","","0.71073","MoKα","","0.0306","0.0303","","","0.0726","0.0728","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221585","8.0109","0.0016","28.894","0.006","11.816","0.004","90","","120.59","0.02","90","","2354.4","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl2 Gd N2 O17 -","- C13 H24 Cl2 Gd N2 O17 -","- C52 H96 Cl8 Gd4 N8 O68 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","Slow magnetic relaxation of a three-dimensional metal-organic framework featuring a unique dysprosium(III) oxalate layer","RSC Adv.","2015","","","","","10.1039/C5RA11621J","","","0.71073","MoKα","","0.0541","0.0497","","","0.1175","0.1211","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221586","18.416","0.005","10.154","0.003","27.01","0.008","90","","90","","90","","5051","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H31 N3 O11 Zn2 -","- C31 H31 N3 O11 Zn2 -","- C124 H124 N12 O44 Zn8 -","4","1","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","0.71073","MoKα","","0.0753","0.0606","","","0.1502","0.1584","","","","","","0.968","","","","has coordinates","152155","2020-10-21","18:00:00",""
"7221587","19.0926","0.0009","19.0926","0.0009","37.8155","0.0015","90","","90","","120","","11938","0.9","293.57","0.1","293.57","0.1","","","","","","","","4","R -3 m","-R 3 2""","166","","","","- C11 H5 O5 Zn -","- C11 H5 O5 Zn -","- C198 H90 O90 Zn18 -","18","","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","0.71","MoKα","","0.0856","0.0703","","","0.2075","0.2293","","","","","","1.13","","","","has coordinates","152155","2020-10-21","18:00:00",""
"7221588","10.19159","0.00013","16.42204","0.00019","15.56239","0.00019","90","","107.073","0.0013","90","","2489.85","0.06","205","70","205","70","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N O10 Zn2 -","- C26 H21 N O10 Zn2 -","- C52 H42 N2 O20 Zn4 -","2","1","","Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng","Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand","RSC Adv.","2015","","","","","10.1039/C5RA10391F","","","1.54184","CuKα","","0.0467","0.0427","","","0.1128","0.1152","","","","","","1.105","","","","has coordinates","152155","2020-10-21","18:00:00",""
"7221589","11.415","0.003","7.683","0.003","13.493","0.003","90","","95.6","0.02","90","","1177.7","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cu2 N8 O2 -","- C25 H20 Cu2 N8 O2 -","- C50 H40 Cu4 N16 O4 -","2","1","","Fadaee, Farzaneh; Amirnasr, Mehdi; Prša, Krunoslav; Pattison, Philip; Shaik, Noore Elahi; Rønnow, Henrik M.; Esrafili, Mehdi D.; Omrani, Arash A.; Amiri, Ahmad; Schenk-Joß, Kurt","Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(ii) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties","RSC Adv.","2015","5","74","59926","","10.1039/C4RA13755H","","x-ray","0.69711","synchrotron","","0.0444","0.0404","","","0.0952","0.1006","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221590","13.916","0.0012","13.916","0.0012","21.142","0.004","90","","90","","90","","4094.3","0.9","100","1","100","1","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C38 H24 N2 O8 Si Zn2 -","- C37.9992 H23.9992 N2 O8 Si Zn2 -","- C75.9984 H47.9984 N4 O16 Si2 Zn4 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.0695","0.0628","","","0.1899","0.1944","","","","","","1.054","","","","has coordinates,has disorder","153109","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221592","24.2712","0.0007","8.3649","0.0003","14.4048","0.0006","90","","93.305","0.003","90","","2919.69","0.18","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Br2 S2 -","- C35 H26 Br2 S2 -","- C140 H104 Br8 S8 -","4","0.5","","Dragu, Eugenia Andreea; Ion, Adrian E.; Sova, Sergiu; Bala, Daniela; Mihailciuc, Constantin; Voicescu, Mariana; Ionescu, Sorana; Nica, Simona","Visible-light triggered photoswitching systems based on fluorescent azulenyl-substituted dithienylcyclopentenes","RSC Adv.","2015","","","","","10.1039/C5RA11974J","","","0.71073","MoKα","","0.067","0.0456","","","0.1034","0.112","","","","","","1.047","","","","has coordinates,has disorder","152287","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","171080","2020-10-21","18:00:00",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221595","11.4461","0.0014","11.5142","0.0014","27.13","0.004","102.158","0.008","94.726","0.008","91.906","0.007","3478.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O6 S -","- C42 H32 N2 O6 S -","- C168 H128 N8 O24 S4 -","4","2","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1721","0.054","","","0.1048","0.1394","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221596","9.0438","0.0008","19.4513","0.0018","18.124","0.0017","90","","96.817","0.001","90","","3165.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl2 N2 Ni O2 -","- C37 H32 Cl2 N2 Ni O2 -","- C148 H128 Cl8 N8 Ni4 O8 -","4","1","","Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Synthesis of well defined C‒C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization","RSC Adv.","2015","5","76","61851","","10.1039/C5RA11630A","","","0.71073","MoKα","","0.1007","0.0638","","","0.1735","0.2031","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221597","9.1247","0.0018","22.75","0.005","16.595","0.003","90","","103.533","0.002","90","","3349.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cl2 F6 N2 Ni O2 -","- C37 H26 Cl2 F6 N2 Ni O2 -","- C148 H104 Cl8 F24 N8 Ni4 O8 -","4","1","","Tian, Jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Synthesis of well defined C‒C bridged Ni(ii) complexes bearing β-ketoiminato-fluorene ligands by bifluorenyl in situ coupling and application for norbornene (co)polymerization","RSC Adv.","2015","5","76","61851","","10.1039/C5RA11630A","","","0.71073","MoKα","","0.0585","0.0516","","","0.1379","0.1455","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221598","29.16","0.004","29.16","0.004","8.7046","0.0016","90","","90","","90","","7402","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C304 H352 N32 O48 S16 -","16","1","","Nandi, Ganesh C.; Kota, Sudhakar R.; Wakchaure, Prasad B.; Chinthakindi, Praveen K.; Govender, Thavendran; Kruger, Hendrick G.; Naicker, Tricia; Arvidsson, Per I.","Pd-catalyzed C‒N coupling of vinylbromides and sulfonimidamides: a facile synthesis of N′-vinylsulfonimidamides","RSC Adv.","2015","5","76","62084","","10.1039/C5RA10939F","","x-ray","0.71073","MoKα","","0.057","0.0478","","","0.1251","0.1324","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221599","12.107","0.002","10.601","0.002","18.803","0.004","90","","98.78","0.03","90","","2385","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0583","0.0526","","","0.1213","0.1247","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221600","16.786","0.002","16.7779","0.0019","35.405","0.004","90","","92.779","0.002","90","","9960","2","223.15","","223.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H27 Br N2 O5 -","- C27 H27 Br N2 O5 -","- C432 H432 Br16 N32 O80 -","16","4","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0732","0.0598","","","0.1148","0.1238","","","","","","1.095","","","","has coordinates","152332","2020-10-21","18:00:00",""
"7221601","9.994","0.003","10.991","0.006","12.398","0.008","107.882","0.004","108.124","0.01","95.032","0.006","1206.2","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0517","0.0487","","","0.1218","0.124","","","","","","1.12","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221602","10.513","0.002","13.093","0.003","17.827","0.004","90","","90","","90","","2453.8","0.9","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O5 -","- C27 H27 Cl N2 O5 -","- C108 H108 Cl4 N8 O20 -","4","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0371","0.0366","","","0.1003","0.1006","","","","","","1.136","","","","has coordinates","152332","2020-10-21","18:00:00",""
"7221603","15.532","0.0015","23.552","0.002","7.416","0.0007","90","","110.191","0.002","90","","2546.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cd N5 O6 -","- C18 H12 Cd N3 O4 -","- C72 H48 Cd4 N12 O16 -","4","0.5","","Zhou, Ziyan; Wang, Hai-Ning; Liu, Ping-Xiao; Chen, He; Xu, Ning; Zhuo, Shuping","A tubular porous coordination polymer exhibiting selective sensing Cu2+ ions upon mixed metal ions and small solvent molecules cyclohexane","RSC Adv.","2015","","","","","10.1039/C5RA10336C","","","0.71069","MoKα","","0.0488","0.0355","","","0.0938","0.0978","","","","","","1.026","","","","has coordinates","152333","2020-10-21","18:00:00",""
"7221604","7.5357","0.0006","17.1542","0.0011","10.8286","0.0009","90","","102.802","0.009","90","","1365","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MP(DNP)","2,4-dinitrophenol-1-methylpiperidine (1:1)","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Saha, Satyen; Panja, Sumit Kumar; Dwivedi, Nidhi","First Report of Application of Simple Molecular Complexes as Organo-Catalyst for Knoevenagel Condensation","RSC Adv.","2015","","","","","10.1039/C5RA09036A","","","0.71073","MoKα","","0.0976","0.057","","","0.1283","0.1521","","","","","","1.025","","","","has coordinates","152334","2020-10-21","18:00:00",""
"7221605","3.8269","0.0004","15.7916","0.0015","17.2303","0.0016","90","","91.29","","90","","1041.01","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-(naphthalen-1-ylmethylene)malononitrile","2-(naphthalen-1-ylmethylene)malononitrile","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","1","","Saha, Satyen; Panja, Sumit Kumar; Dwivedi, Nidhi","First Report of Application of Simple Molecular Complexes as Organo-Catalyst for Knoevenagel Condensation","RSC Adv.","2015","","","","","10.1039/C5RA09036A","","","0.71073","MoKα","","0.08","0.046","","","0.101","0.1224","","","","","","0.986","","","","has coordinates","152334","2020-10-21","18:00:00",""
"7221606","9.271","0.005","8.507","0.005","21.337","0.005","90","0.005","93.69","0.005","90","0.005","1679.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-Chromene","ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Saha, Satyen; Panja, Sumit Kumar; Dwivedi, Nidhi","First Report of Application of Simple Molecular Complexes as Organo-Catalyst for Knoevenagel Condensation","RSC Adv.","2015","","","","","10.1039/C5RA09036A","","","0.71073","MoKα","","0.146","0.0876","","","0.236","0.2815","","","","","","1.061","","","","has coordinates","152334","2020-10-21","18:00:00",""
"7221607","8.7542","0.0008","16.4242","0.0015","15.9879","0.0015","90","","91.709","0.002","90","","2297.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O7 Zn -","- C23 H26 N4 O7 Zn -","- C92 H104 N16 O28 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.0606","0.0443","","","0.1123","0.1215","","","","","","1.091","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221608","8.485","0.005","14.529","0.009","14.073","0.008","90","","94.11","0.03","90","","1730.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.1826","0.0817","","","0.1894","0.2307","","","","","","0.98","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221609","13.087","0.003","13.021","0.003","6.307","0.0013","90","","90.56","0.03","90","","1074.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N6 Na O8 -","- C6 H7 N6 Na O8 -","- C24 H28 N24 Na4 O32 -","4","1","","cheng, jian; dong, yan; ma, hui; li, lixia; Liu, Zuliang; Zhao, Feng-Qi; Xu, Siyu","Crystal Structure, Thermal Decomposition, Mechanical Sensitivity of Na[CL-14•2H2O] and Its Catalytic Effect On the Thermal Decomposition of Ammonium Nitrate","RSC Adv.","2015","","","","","10.1039/C5RA13156A","","","0.71073","MoKα","","0.1209","0.0725","","","0.1752","0.203","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221610","5.7929","0.0003","14.5941","0.0005","10.674","0.0005","90","","105.323","0.005","90","","870.32","0.07","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","11-benzyl-5-nitro-11H-benzo[a]carbazole","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Wu, Lijun; Huang, Hui; Dang, Pan; Liang, Yun; Pi, Shaofeng","Construction of Benzo[a]carbazole Derivatives via Diels-Alder Reaction of Arynes with Vinylindoles","RSC Adv.","2015","","","","","10.1039/C5RA11025D","","","1.54184","CuKα","","0.0859","0.0846","","","0.2608","0.2617","","","","","","1.133","","","","has coordinates","152401","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221612","15.1215","0.0013","10.2017","0.0009","22.1609","0.0019","90","","107.281","0.0018","90","","3264.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.087","0.0541","","","0.1262","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221613","15.3901","0.0012","9.9023","0.0008","21.9596","0.0017","90","","105.911","0.003","90","","3218.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.1057","0.0482","","","0.0963","0.1215","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221614","21.3597","0.0015","10.7751","0.0007","31.118","0.002","90","","92.635","0.002","90","","7154.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl N8 O17 Zn4 -","- C76 H59 Cl N8 O17 Zn4 -","- C304 H236 Cl4 N32 O68 Zn16 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0969","0.0523","","","0.1253","0.1534","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221615","11.0644","0.0005","28.5964","0.0013","10.4332","0.0005","90","","96.5018","0.0015","90","","3279.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N4 O9 -","- C36 H26 Cd2 N4 O9 -","- C144 H104 Cd8 N16 O36 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.059","0.0462","","","0.1148","0.1236","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221616","8.5977","0.0003","15.5686","0.0004","20.0179","0.0006","90","","103.714","0.0008","90","","2603.09","0.14","123.1","","123.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl2 N3 Ti -","- C25 H41 Cl2 N3 Ti -","- C100 H164 Cl8 N12 Ti4 -","4","1","","Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya","Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA11402K","","","0.71075","MoKα","","","0.0331","","","","0.075","","","","","","1.095","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221617","8.6563","0.0003","7.42574","0.00018","36.5572","0.001","90","","94.0965","0.0009","90","","2343.87","0.12","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 N3 Ti -","- C25 H29 Cl2 N3 Ti -","- C100 H116 Cl8 N12 Ti4 -","4","1","","Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya","Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA11402K","","","0.71075","MoKα","","","0.039","","","","0.0968","","","","","","1.203","","","","has coordinates","152462","2020-10-21","18:00:00",""
"7221618","21.8842","0.0005","28.7235","0.0007","9.4156","0.0002","90","","90","","90","","5918.6","0.2","213","","213","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C117 H148 Cl10 N12 Ti4 -","- C117 H148 Cl10 N12 Ti4 -","- C234 H296 Cl20 N24 Ti8 -","2","0.5","","Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya","Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA11402K","","","0.71075","MoKα","","","0.0366","","","","0.0971","","","","","","1.047","","","","has coordinates","152462","2020-10-21","18:00:00",""
"7221619","11.1642","0.0002","11.2931","0.0002","19.4433","0.0004","94.0438","0.0007","100.168","0.0007","115.297","0.0007","2151.95","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H53 Cl6 N3 Ti -","- C39 H53 Cl6 N3 Ti -","- C78 H106 Cl12 N6 Ti2 -","2","1","","Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya","Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA11402K","","","0.71075","MoKα","","","0.0453","","","","0.1224","","","","","","1.142","","","","has coordinates,has disorder","152462","2020-10-21","18:00:00",""
"7221620","11.293","0.0014","12.7554","0.0015","19.524","0.002","90","","90.01","","90","","2812.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 Co3 N6 O18 -","- C54 H46 Co3 N6 O18 -","- C108 H92 Co6 N12 O36 -","2","0.5","","Wang, Ting; Qin, Ling; Zhang, Chuanlei; Zheng, Hegen","Syntheses, characterization, and magnetic properties of novel divalent Co/Ni coordination polymers based on a V-shaped pyridine ligand and dicarboxylate acids","RSC Adv.","2015","","","","","10.1039/C5RA10805E","","","0.71073","MoKα","","0.043","0.0366","","","0.0956","0.0999","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221621","11.271","0.0018","12.618","0.002","19.339","0.003","90","","90.01","","90","","2750.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N6 Ni3 O18 -","- C54 H46 N6 Ni3 O18 -","- C108 H92 N12 Ni6 O36 -","2","0.5","","Wang, Ting; Qin, Ling; Zhang, Chuanlei; Zheng, Hegen","Syntheses, characterization, and magnetic properties of novel divalent Co/Ni coordination polymers based on a V-shaped pyridine ligand and dicarboxylate acids","RSC Adv.","2015","","","","","10.1039/C5RA10805E","","","0.71073","MoKα","","0.0586","0.0508","","","0.1352","0.1402","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221622","10.895","0.003","17.52","0.004","20.545","0.006","90","","99.16","0.003","90","","3871.6","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Co N4 O6 -","- C19 H18 Co N4 O6 -","- C152 H144 Co8 N32 O48 -","8","1","","Wang, Ting; Qin, Ling; Zhang, Chuanlei; Zheng, Hegen","Syntheses, characterization, and magnetic properties of novel divalent Co/Ni coordination polymers based on a V-shaped pyridine ligand and dicarboxylate acids","RSC Adv.","2015","","","","","10.1039/C5RA10805E","","","0.71073","MoKα","","0.0824","0.0503","","","0.1298","0.1446","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221628","20.2355","0.0009","27.1206","0.0009","23.3255","0.0008","90","","109.709","0.004","90","","12051.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu6 Eu2 O42 S2 -","- C22 H12 Cu6 Eu2 O42 S2 -","- C176 H96 Cu48 Eu16 O336 S16 -","8","1","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54185","CuKα","","0.1647","0.1454","","","0.3517","0.3867","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221629","16.4455","0.0003","15.0098","0.0005","27.8995","0.0007","79.513","0.002","98.024","0.002","105.156","0.002","6505.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H34 Cu N4 O11 V2 -","- C10 H24 Cu N4 O11 V2 -","- C120 H288 Cu12 N48 O132 V24 -","12","6","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0656","0.0458","","","0.1012","0.1106","","","","","","1.038","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221630","8.0199","0.0002","13.9524","0.0006","14.2588","0.0005","102.032","0.003","101.742","0.003","97.56","0.003","1502.38","0.1","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H30 Cu N4 O9 V2 -","- C10 H24 Cu N4 O9 V2 -","- C30 H72 Cu3 N12 O27 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0338","0.0292","","","0.0743","0.0776","","","","","","1.051","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221631","8.6253","0.001","12.89","0.002","13.368","0.002","103.208","0.014","106.557","0.012","95.595","0.011","1365.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H26.67 Cu N4 O7.33 V2 -","- C10 H24 Cu N4 O7.33333 V2 -","- C30 H72 Cu3 N12 O22 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.1338","0.0886","","","0.1621","0.1828","","","","","","1.132","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221632","8.751","0.002","13.094","0.003","13.363","0.003","102.449","0.018","101.653","0.019","101.148","0.019","1418.8","0.6","393","2","393","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H24 Cu N4 O6 V2 -","- C10 H24 Cu N4 O6 V2 -","- C30 H72 Cu3 N12 O18 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.2426","0.1078","","","0.1866","0.2511","","","","","","1.058","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221633","12.2624","0.0008","13.4433","0.0009","7.9968","0.0005","90","","106.168","0.001","90","","1266.11","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-chlorobenzoyl)-5-(methylthio)-thiophen-2(2H)-one","","- C12 H9 Cl O2 S2 -","- C12 H9 Cl O2 S2 -","- C48 H36 Cl4 O8 S8 -","4","1","","Madabhushi, Sridhar; Kurva, Srinivas; Sriramoju, Vinodkumar; Nanubolu, Jagadeesh babu; Cirandur, Suresh Reddy","Efficient synthesis of polyfunctionalized thiophene-2,3-diones and thiophen-3(2H)-ones using β-oxodithioesters","RSC Adv.","2015","","","","","10.1039/C5RA11629E","","","0.71073","MoKα","","0.0368","0.0354","","","0.094","0.0955","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221634","5.7321","0.0015","8.788","0.002","13.769","0.004","99.381","0.005","101.216","0.004","90.696","0.004","670.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-ethylbenzoyl)-5-(methylthio)thiophen-2,3-dione","","- C14 H12 O3 S2 -","- C14 H12 O3 S2 -","- C28 H24 O6 S4 -","2","1","","Madabhushi, Sridhar; Kurva, Srinivas; Sriramoju, Vinodkumar; Nanubolu, Jagadeesh babu; Cirandur, Suresh Reddy","Efficient synthesis of polyfunctionalized thiophene-2,3-diones and thiophen-3(2H)-ones using β-oxodithioesters","RSC Adv.","2015","","","","","10.1039/C5RA11629E","","","0.71073","MoKα","","0.0812","0.0726","","","0.2068","0.2122","","","","","","1.177","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221635","9.6655","0.0003","13.8908","0.0006","16.1834","0.0007","90","","90","","90","","2172.81","0.15","295","2","295","","","","","","","","","4","P b n a","-P 2ac 2b","60","2,2'-disulfanediylbis(4,5,6,7,8,9-hexahydro-1H-cycloocta[b]pyrrole-3-carbonitrile)","2,2'-disulfanediylbis(4,5,6,7,8,9-hexahydro-1H-cycloocta[b]pyrrole-3-carbonitrile)","","- C22 H26 N4 S2 -","- C22 H26 N4 S2 -","- C88 H104 N16 S8 -","4","0.5","","Belikov, Mikhail Yu; Fedoseev, Sergey V.; Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor","Interaction of 4-oxoalkane-1,1,2,2-tetracarbonitriles with Lawesson's reagent ‒ a new approach to the synthesis of 2,2'-disulfanediylbis(1H-pyrroles). The synthesis of photochromic diarylethene with disulfide bridge","RSC Adv.","2015","","","","","10.1039/C5RA11304K","","","1.54186","CuKα","","0.1533","0.0405","","","0.0594","0.0768","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221636","17.3644","0.0008","16.2122","0.0008","16.2003","0.0008","90","","103.517","0.001","90","","4434.3","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 Pr2 S6 -","- C82 H62 N16 O29 Pr2 S6 -","- C164 H124 N32 O58 Pr4 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0551","0.0393","","","0.0865","0.093","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221637","17.3435","0.0016","16.1923","0.0016","16.0934","0.0014","90","","103.429","0.002","90","","4396","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Sm2 -","- C82 H62 N16 O29 S6 Sm2 -","- C164 H124 N32 O58 S12 Sm4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1014","0.0552","","","0.0968","0.1134","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221638","17.3174","0.0017","16.1834","0.0016","16.066","0.0014","90","","103.431","0.002","90","","4379.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Eu2 N16 O29 S6 -","- C82 H62 Eu2 N16 O29 S6 -","- C164 H124 Eu4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1126","0.0571","","","0.1033","0.1233","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221639","17.2968","0.0015","16.1959","0.0014","16.028","0.0014","90","","103.363","0.002","90","","4368.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Gd2 N16 O29 S6 -","- C82 H62 Gd2 N16 O29 S6 -","- C164 H124 Gd4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0797","0.0475","","","0.0875","0.0996","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221640","17.2852","0.0019","16.1853","0.0017","15.9746","0.0017","90","","103.335","0.002","90","","4348.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Dy2 N16 O29 S6 -","- C82 H62 Dy2 N16 O29 S6 -","- C164 H124 Dy4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0574","0.0387","","","0.0814","0.0889","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221641","17.2839","0.0008","16.1782","0.0006","16.0035","0.0006","90","","103.316","0.001","90","","4354.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Tb2 -","- C82 H62 N16 O29 S6 Tb2 -","- C164 H124 N32 O58 S12 Tb4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.06","0.0375","","","0.0769","0.0859","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221644","30.19","0.005","19.637","0.003","16.038","0.003","90","","108.829","0.003","90","","8999","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H199 Co3 N13 O71 -","- C64 H50 Co3 N4 O19 -","- C256 H200 Co12 N16 O76 -","4","0.5","","Li, Jian-Ping; Ma, Yu-Qin; Geng, Li-Hua; Li, Yun-Hui; Yi, Fei-Yan","A highly stable porous multifunctional Co(ii) metal‒organic framework showing excellent gas storage applications and interesting magnetic properties","CrystEngComm","2015","17","34","6471","","10.1039/C5CE01123J","","","0.71073","MoKα","","0.1405","0.0896","","","0.2452","0.2841","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221646","10.214","0.003","14.064","0.003","14.282","0.004","75.127","0.011","87.917","0.012","79.52","0.013","1949.7","0.9","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.71075","MoKα","","0.1847","0.1064","","","0.2782","0.3529","","","","","","1.035","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221647","10.1283","0.0014","13.8996","0.0013","14.2922","0.0018","74.962","0.008","87.263","0.009","79.42","0.008","1910.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0657","0.0533","","","0.1741","0.19","","","","","","1.058","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221648","10.406","0.01","14.261","0.013","14.52","0.015","74.7","0.03","88.45","0.04","79.38","0.04","2042","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.1579","0.1069","","","0.2891","0.353","","","","","","1.041","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221649","10.0773","0.0017","13.935","0.002","14.259","0.002","74.988","0.005","86.579","0.006","79.096","0.006","1899","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H28 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0848","0.0543","","","0.1306","0.1577","","","","","","1.008","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221650","4.8741","","4.8741","","4.8741","","90","","90","","90","","115.793","","503","","503","","","","","","","","Institute of Solid State Chemistry, Ekaterinburg (Russia)","2","I m -3 m","-I 4 2 3","229","Argentite","Silver sulfide","Argentite","- Ag2 S -","- Ag2.00001 S -","- Ag4.00002 S2 -","2","0.0208333","","Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.","An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.","Physical chemistry chemical physics : PCCP","2015","17","32","20495","20501","10.1039/c5cp02499d","powder diffraction","x-ray","1.54188","CuKα","","","0.00754","","","","0.02071","","0.00754","1.872","","","1.872","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221651","11.558","0.001","7.3752","0.0007","19.4783","0.0017","90","","93.613","0.003","90","","1657.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O4 S Si -","- C15 H22 N2 O4 S Si -","- C60 H88 N8 O16 S4 Si4 -","4","1","","Singh, Gurjaspreet; Rani, Sunita; Saroa, Amandeep; Girdhar, Shally; Singh, Jandeep; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Organosilatranes with thioester-anchored heterocyclic ring assembly: Cu2+ ion binding and fabrication of hybrid silica nanoparticles","RSC Adv.","2015","","","","","10.1039/C5RA09004K","","","0.71073","MoKα","","0.0713","0.0409","","","0.087","0.0978","","","","","","1.018","","","","has coordinates","152549","2020-10-21","18:00:00",""
"7221652","6.7971","0.0008","11.2067","0.0012","13.1499","0.0015","83.851","0.007","81.15","0.007","76.11","0.007","958.23","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan","A Facile Synthesis of Isoxazolo[3,4-a]pyrrolizine and Isoxazolo[4,3-c]pyridine Derivatives via Intramolecular Nitrone Cycloaddition Reaction","RSC Adv.","2015","","","","","10.1039/C5RA10371A","","","0.71073","MoKα","","0.0956","0.0507","","","0.1262","0.1609","","","","","","1.01","","","","has coordinates","152550","2020-10-21","18:00:00",""
"7221653","9.9206","0.0003","14.4822","0.0004","10.9734","0.0003","90","","100.537","0.0015","90","","1549.99","0.08","295","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl Cu N3 O6 -","- C11 H18 Cl Cu N3 O6 -","- C44 H72 Cl4 Cu4 N12 O24 -","4","1","","Bhunia, Apurba; Manna, Soumen; Mistri, Soumen; Paul, Aparup; Manne, Rajesh Kumar; Santra, Manas Kumar; Bertolasi, Valerio; Manna, Subal Chandra","Synthesis, characterization, TDDFT calculation and biological activity of tetradentate ligand based square pyramidal Cu(II) complexes","RSC Adv.","2015","","","","","10.1039/C5RA12324K","","","0.71073","MoKα","","0.0648","0.0453","","","0.1188","0.1308","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221654","12.3073","0.0005","12.3073","0.0005","19.1117","0.0006","90","","90","","120","","2507.01","0.16","295","","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12 H20 Cl Cu N3 O7 -","- C12 H20 Cl Cu N3 O7 -","- C72 H120 Cl6 Cu6 N18 O42 -","6","1","","Bhunia, Apurba; Manna, Soumen; Mistri, Soumen; Paul, Aparup; Manne, Rajesh Kumar; Santra, Manas Kumar; Bertolasi, Valerio; Manna, Subal Chandra","Synthesis, characterization, TDDFT calculation and biological activity of tetradentate ligand based square pyramidal Cu(II) complexes","RSC Adv.","2015","","","","","10.1039/C5RA12324K","","","0.71073","MoKα","","0.0643","0.0433","","","0.0995","0.1101","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221655","10.015","0.001","14.921","0.001","11.016","0.001","90","","107.72","0.01","90","","1568.1","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl Cu N3 O6 -","- C12 H20 Cl Cu N3 O6 -","- C48 H80 Cl4 Cu4 N12 O24 -","4","1","","Bhunia, Apurba; Manna, Soumen; Mistri, Soumen; Paul, Aparup; Manne, Rajesh Kumar; Santra, Manas Kumar; Bertolasi, Valerio; Manna, Subal Chandra","Synthesis, characterization, TDDFT calculation and biological activity of tetradentate ligand based square pyramidal Cu(II) complexes","RSC Adv.","2015","","","","","10.1039/C5RA12324K","","","0.71073","MoKα","","0.0657","0.0472","","","0.1279","0.1409","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221656","9.2206","0.0018","14.881","0.003","15.697","0.003","115.13","0.03","92.57","0.03","99.02","0.03","1910.8","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Co2 N8 O8 -","- C40 H36 Co2 N8 O8 -","- C80 H72 Co4 N16 O16 -","2","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0856","0.052","","","0.1017","0.1159","","","","","","1.006","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221657","26.01","0.011","10.83","0.005","15.972","0.007","90","","90.758","0.007","90","","4499","3","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Cu2 N8 O16 -","- C40 H52 Cu2 N8 O16 -","- C160 H208 Cu8 N32 O64 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.058","0.0396","","","0.1037","0.1122","","","","","","1.032","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221658","24.081","0.008","6.4039","0.0008","16.283","0.004","90","","121.64","0.04","90","","2137.8","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Ag N4 O6 -","- C20 H23 Ag N4 O6 -","- C80 H92 Ag4 N16 O24 -","4","0.5","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0976","0.0655","","","0.1829","0.2105","","","","","","1.092","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221659","13.2788","0.0002","8.3693","0.0001","16.8959","0.0004","90","","102.025","0.002","90","","1836.51","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0426","0.0349","","","0.0844","0.0887","","","","","","1.003","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221661","14.897","0.008","10.377","0.006","8.216","0.005","90","","90.647","0.008","90","","1270","1.3","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cl2 Hg N2 O2 -","- C10 H10 Cl2 Hg N2 O2 -","- C40 H40 Cl8 Hg4 N8 O8 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0268","0.0221","","","0.0654","0.0676","","","","","","1.043","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221662","12.8075","0.0005","9.6355","0.0003","15.8732","0.0007","90","","96.659","0.0018","90","","1945.64","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H29 N O -","- C23 H29 N O -","- C92 H116 N4 O4 -","4","1","","Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.","Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.","Physical chemistry chemical physics : PCCP","2015","17","32","20903","20911","10.1039/c5cp03222a","","","0.71073","MoKα","","0.0902","0.0675","","","0.1603","0.18","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221663","13.2115","0.0006","9.4084","0.0004","18.0693","0.0007","90","","107.007","0.003","90","","2147.78","0.16","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H29 N3 -","- C26 H29 N3 -","- C104 H116 N12 -","4","1","","Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.","Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.","Physical chemistry chemical physics : PCCP","2015","17","32","20903","20911","10.1039/c5cp03222a","","","0.71073","MoKα","","0.0771","0.0581","","","0.1367","0.1517","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221664","10.697","0.005","13.011","0.005","22.764","0.005","90","0.005","90","0.005","90","0.005","3168","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Er F9 O8 -","- C30 H22 Er F9 O8 -","- C120 H88 Er4 F36 O32 -","4","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.027","0.0244","","","0.0545","0.0558","","","","","","1.055","","","","has coordinates","152580","2020-10-21","18:00:00",""
"7221665","11.116","0.005","22.589","0.005","17.17","0.005","90","","114.87","0.019","90","","3912","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Er F9 N2 O6 -","- C40 H26 Er F9 N2 O6 -","- C160 H104 Er4 F36 N8 O24 -","4","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0543","0.0393","","","0.0872","0.097","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221666","10.009","0.005","13.987","0.005","14.769","0.005","82.932","0.005","87.086","0.005","76.531","0.005","1994.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Er F9 N2 O6 -","- C42 H26 Er F9 N2 O6 -","- C84 H52 Er2 F18 N4 O12 -","2","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0496","0.0411","","","0.0946","0.1016","","","","","","1.037","","","","has coordinates","152580","2020-10-21","18:00:00",""
"7221667","21.392","0.005","10.941","0.005","18.213","0.005","90","0.005","90","0.005","90","0.005","4263","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 Er F9 N4 O6 -","- C44 H26 Er F9 N4 O6 -","- C176 H104 Er4 F36 N16 O24 -","4","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0499","0.0411","","","0.0982","0.1051","","","","","","1.051","","","","has coordinates","152580","2020-10-21","18:00:00",""
"7221668","28.129","0.005","28.129","0.005","11.62","0.005","90","0.005","90","0.005","90","0.005","9194","5","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H28 Er F9 N4 O6 -","- C48 H28 Er F9 N4 O6 -","- C384 H224 Er8 F72 N32 O48 -","8","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.0998","0.0517","","","0.1149","0.1328","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221669","10.5386","0.0003","9.5785","0.0003","23.465","0.0007","90","","95.634","0.001","90","","2357.21","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cl N4 -","- C29 H23 Cl N4 -","- C116 H92 Cl4 N16 -","4","1","","Sudhapriya, Narayanasamy; Avanashiappan, Nandakumar; Arun, Y.; Paramasivan Thirumalai, Perumal; Balachandran, Chandrasekar; Nobuhiko, Emi","An Expedient Route to Highly Diversified [1,2,3]Triazolo[1,5-a][1,4]Benzodiazepines and their Evaluation for Antimicrobial, Antiproliferative and In Silico studies","RSC Adv.","2015","","","","","10.1039/C5RA12497B","","","0.71073","MoKα","","0.0562","0.0394","","","0.1035","0.1146","","","","","","1.007","","","","has coordinates","152581","2020-10-21","18:00:00",""
"7221670","24.752","0.002","24.752","0.002","5.0591","0.0006","90","","90","","120","","2684.3","0.4","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C10 H15 Cl O4 -","- C10 H15 Cl O4 -","- C90 H135 Cl9 O36 -","9","1","","Zhu, Weiming; Kong, Fandong; Zhao, Chengying; Hao, Jie; Wang, Cong; Wang, Wei; Huang, Xiaolong","New α-Glucosidase Inhibitors from a Marine Sponge-derived Fungus Aspergillus sp. OUCMDZ-1583","RSC Adv.","2015","","","","","10.1039/C5RA11185D","","","0.71073","MoKα","","0.0532","0.0378","","","0.0787","0.0865","","","","","","1.052","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7221671","7.1724","0.0003","11.2452","0.0007","18.526","0.0009","90","","90","","90","","1494.22","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Zhu, Weiming; Kong, Fandong; Zhao, Chengying; Hao, Jie; Wang, Cong; Wang, Wei; Huang, Xiaolong","New α-Glucosidase Inhibitors from a Marine Sponge-derived Fungus Aspergillus sp. OUCMDZ-1583","RSC Adv.","2015","","","","","10.1039/C5RA11185D","","","1.54178","CuKα","","0.0447","0.0373","","","0.091","0.0969","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221673","17.097","0.015","8.764","0.007","17.682","0.016","90","","117.686","0.009","90","","2346","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.163","0.0848","","","0.1616","0.195","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221674","17.149","0.014","8.78","0.007","17.692","0.014","90","","117.636","0.008","90","","2360","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.1784","0.088","","","0.1776","0.2169","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221675","5.982","0.0003","12.321","0.0004","24.7101","0.0009","90","","90","","90","","1821.24","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2R,3R,5R,6R)-3-hydroxy-2,5,6-triphenylcyclohexanone","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Pedrosa, Rafael; Adres, Jose M.; Guevara-Pulido, James O. Oswaldo","The Organocatalyzed Domino Michael-Aldol Reaction Revisited. Synthesis of Enantioenriched 3-Hydroxycyclohexanone Derivatives by Reaction of Enals with α,α´-Diaryl-substituted Acetone.","RSC Adv.","2015","","","","","10.1039/C5RA11215J","","","1.54184","CuKα","","0.1011","0.0592","","","0.1509","0.2158","","","","","","1.152","","","","has coordinates","171654","2020-10-21","18:00:00",""
"7221676","7.9337","0.0001","8.0923","0.0001","10.7299","0.0002","99.19","0.001","92.525","0.001","96.497","0.001","674.313","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(4,5-dihydro-1,3-thiazol-2-ylthio)methyl] -6-methyl-2<i>H</i>-chromen-2-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0414","0.0379","","","0.1102","0.1135","","","","","","1.063","","","","has coordinates","152612","2020-10-21","18:00:00",""
"7221677","7.3443","0.0003","7.7814","0.0003","12.6804","0.0004","85.486","0.002","82.226","0.002","65.984","0.002","655.63","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-chloro-4-[(4,5-dihydro-1,3-thiazol-2- ylthio)methyl]-2<i>H</i>-chromen-2-one","","- C13 H10 Cl N O2 S2 -","- C13 H10 Cl N O2 S2 -","- C26 H20 Cl2 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.038","0.034","","","0.0921","0.0947","","","","","","1.074","","","","has coordinates","152612","2020-10-21","18:00:00",""
"7221678","7.8774","0.0002","8.4986","0.0003","11.233","0.0003","91.435","0.002","107.376","0.002","107.927","0.002","677.16","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((4,5-dihydrothiazol-2-ylthio)methyl)-7- methyl-2<i>H</i>-chromen-2-one","","- C14 H13 N O2 S2 -","- C14 H13 N O2 S2 -","- C28 H26 N2 O4 S4 -","2","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0526","0.0419","","","0.1166","0.1248","","","","","","1.043","","","","has coordinates","152612","2020-10-21","18:00:00",""
"7221679","7.2356","0.0008","7.9426","0.001","25.027","0.003","90","","96.742","0.008","90","","1428.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((4,5-dihydrothiazol-2-ylthio)methyl)-5,7-dimethyl- 2<i>H</i>-chromen-2-one","","- C15 H15 N O2 S2 -","- C15 H15 N O2 S2 -","- C60 H60 N4 O8 S8 -","4","1","","Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M.","A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies","RSC Adv.","2015","5","79","64566","","10.1039/C5RA09508E","","","0.71073","MoKα","","0.0953","0.0721","","","0.1491","0.159","","","","","","1.119","","","","has coordinates","152612","2020-10-21","18:00:00",""
"7221680","9.2264","0.0007","31.583","0.003","13.1257","0.001","90","","105.764","0.003","90","","3680.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl6 N16 O21 -","- C60 H66 Cl6 N16 O21 -","- C120 H132 Cl12 N32 O42 -","2","0.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","0.71073","MoKα","","0.084","0.0798","","0.0815","0.0747","0.0721","","","","","","1.0484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221681","10.7229","0.0001","34.3062","0.0004","15.2099","0.0002","90","","114.8","0.001","90","","5079.15","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl4 N7 O15 -","- C46 H49 Cl4 N7 O15 -","- C184 H196 Cl16 N28 O60 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0747","0.0716","","0.0873","0.0864","0.0861","","","","","","0.9676","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221682","13.3011","0.0004","24.6348","0.0006","7.1285","0.0002","90","","96.565","0.003","90","","2320.48","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N6 O13 -","- C19 H26 N6 O13 -","- C76 H104 N24 O52 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0373","0.0358","","0.0426","0.0417","0.0413","","","","","","1.0385","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221683","38.2977","0.0005","38.2977","0.0005","22.9827","0.0004","90","","90","","90","","33709","0.9","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C29 H38 N4 O17 -","- C29 H28 N4 O12 -","- C1160 H1120 N160 O480 -","40","2.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0803","0.0743","","0.0838","0.0811","0.0803","","","","","","1.0691","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221684","10.3014","0.0006","12.5123","0.0008","17.7504","0.001","94.575","0.005","97.802","0.005","104.605","0.005","2177.9","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 N5 O17 -","- C44 H45 N5 O17 -","- C88 H90 N10 O34 -","2","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0994","0.0799","","0.1044","0.0927","0.0912","","","","","","1.1182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221685","14.5687","0.0014","8.137","0.0005","16.2873","0.0016","90","","105.775","0.004","90","","1858.1","0.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-difluoro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical","","- C18 H6 Cl6 F2 N -","- C18 H6 Cl6 F2 N -","- C72 H24 Cl24 F8 N4 -","4","1","","Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi","Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties","RSC Adv.","2015","5","79","64802","","10.1039/C5RA14268G","","","0.7107","MoKα","","","0.0434","","","","0.1","","","","","","1.058","","","","has coordinates","152637","2020-10-21","18:00:00",""
"7221686","7.461","0.004","10.846","0.006","12.66","0.007","81.516","0.011","88.763","0.014","87.731","0.014","1012.3","1","113","","113","","","","","","","","","5","P -1","-P 1","2","","(3,5-dibromo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical","","- C18 H6 Br2 Cl6 N -","- C18 H6 Br2 Cl6 N -","- C36 H12 Br4 Cl12 N2 -","2","1","","Hattori, Yohei; Kusamoto, Tetsuro; Nishihara, Hiroshi","Highly photostable luminescent open-shell (3,5-dihalo-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radicals: significant effects of halogen atoms on their photophysical and photochemical properties","RSC Adv.","2015","5","79","64802","","10.1039/C5RA14268G","","","0.7107","MoKα","","","0.1517","","","","0.4232","","","","","","1.173","","","","has coordinates","152637","2020-10-21","18:00:00",""
"7221687","5.9897","0.0017","12.612","0.004","19.986","0.006","90","","96.062","0.005","90","","1501.3","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Bhat, Sujata Vasudev; Fernandes, Sylvia; Rajakannu, Palanisamy","Efficient catalyst for one-pot solvent free enantioselective Knoevenagel-[3+3] cycloaddition and Knoevenagel-Hetero-Diels-Alder Reactions","RSC Adv.","2015","","","","","10.1039/C5RA09865C","","","0.71075","MoKα","","0.0747","0.065","","","0.1928","0.2264","","","","","","1.207","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221692","7.668","0.0005","8.3022","0.0006","13.5405","0.0006","83.606","0.005","81.922","0.005","70.403","0.006","802.11","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 N2 O2 Ru -","- C15 H14 Cl2 N2 O2 Ru -","- C30 H28 Cl4 N4 O4 Ru2 -","2","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0493","0.0489","","","0.1363","0.1368","","","","","","1.093","","","","has coordinates","162006","2020-10-21","18:00:00",""
"7221693","17.072","0.0002","12.3086","0.0001","9.1013","0.0001","90","","100.9","0.001","90","","1877.97","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 Ru -","- C19 H22 Cl2 N2 Ru -","- C76 H88 Cl8 N8 Ru4 -","4","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0271","0.0267","","","0.0705","0.0709","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221694","14.4387","0.0011","5.4586","0.0003","14.5272","0.0013","90","","117.943","0.011","90","","1011.48","0.17","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 S -","- C22 H28 O3 S -","- C44 H56 O6 S2 -","2","1","","Kowalczyk, Rafał; Boratynski, Przemyslaw J.; Wierzba, Aleksandra J.; Bąkowicz, Julia","Site and stereoselectivity in sulfa-Michael addition to equivocally activated conjugated dienes","RSC Adv.","2015","","","","","10.1039/C5RA09631F","","","0.71073","MoKα","","0.0959","0.0609","","","0.1081","0.1219","","","","","","1.063","","","","has coordinates,has disorder","152660","2020-10-21","18:00:00",""
"7221695","12.122","0.002","13.002","0.003","15.716","0.003","90","","90","","90","","2477","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","1","","Zhang, Ivan; Wang, Yi; Wan, Chao; Xing, Zhen; Li, Wen; Li, Minjie; Zhang, Sean Xiao-An","A new rhodamine based chemodosimeter for Ni2+ with high sensitivity and selectivity","RSC Adv.","2015","","","","","10.1039/C5RA11737B","","","0.71073","MoKα","","0.1277","0.0831","","","0.2154","0.2457","","","","","","1.063","","","","has coordinates","152661","2020-10-21","18:00:00",""
"7221696","9.2565","0.0014","10.1736","0.0015","15.405","0.002","95.282","0.003","105.188","0.002","91.394","0.002","1392.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0443","0.0327","","","0.0791","0.0829","","","","","","1.002","","","","has coordinates,has disorder","173739","2020-10-21","18:00:00",""
"7221697","9.196","0.006","10.084","0.006","15.198","0.009","73.07","0.012","88.636","0.012","89.664","0.012","1347.9","1.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0963","0.056","","","0.1292","0.1425","","","","","","1.001","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221699","9.247","0.004","9.97","0.005","15.025","0.008","100.151","0.009","91.372","0.009","91.776","0.009","1362.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0998","0.0483","","","0.072","0.0802","","","","","","1.002","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221700","31.85","0.003","5.7811","0.0005","20.098","0.002","90","","112.557","0.003","90","","3417.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N2 O8 -","- C36 H48 N2 O8 -","- C144 H192 N8 O32 -","4","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.0932","0.0475","","","0.1129","0.1364","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221701","31.427","0.004","5.8115","0.0008","19.863","0.002","90","","114.729","0.004","90","","3295.1","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H44.38 N2 O10.19 -","- C34 H44.376 N2 O10.188 -","- C136 H177.504 N8 O40.752 -","4","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1305","0.0519","","","0.0888","0.1113","","","","","","1.014","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221702","5.7584","0.0005","10.5829","0.0009","14.5837","0.0013","103.242","0.003","95.682","0.003","100.938","0.003","839.9","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N2 O10 -","- C36 H48 N2 O10 -","- C36 H48 N2 O10 -","1","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1091","0.0509","","","0.1029","0.1221","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221703","31.022","0.006","5.8603","0.0015","19.725","0.004","90","","118.646","0.006","90","","3147","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 N2 O8 -","- C34 H40 N2 O8 -","- C136 H160 N8 O32 -","4","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1144","0.0513","","","0.1244","0.1816","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221704","16.114","0.0018","4.7953","0.0005","17.101","0.002","90","","97.747","0.004","90","","1309.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N2 O4 -","- C28 H42 N2 O4 -","- C56 H84 N4 O8 -","2","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1226","0.0563","","","0.1144","0.1406","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221705","4.8922","0.0015","10.102","0.003","14.454","0.004","81.084","0.005","87.77","0.005","84.859","0.005","702.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 N2 O6 -","- C28 H42 N2 O6 -","- C28 H42 N2 O6 -","1","0.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.0687","0.0552","","","0.1683","0.1827","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221706","12.9024","0.0013","12.9804","0.0016","31.537","0.004","82.392","0.004","85.834","0.004","68.262","0.004","4861.4","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H102 N2 O27 -","- C58 H102 N2 O27 -","- C174 H306 N6 O81 -","3","1.5","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.217","0.0872","","","0.1376","0.1778","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221707","15.4985","0.0008","18.7452","0.0011","25.1312","0.0015","90","","90","","90","","7301.2","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 N O14 -","- C34 H51 N O14 -","- C272 H408 N8 O112 -","8","2","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1388","0.0569","","","0.1307","0.1702","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221709","10.9122","0.0016","11.4715","0.0018","23.486","0.003","90","","90","","90","","2940","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","PYR_07","","- C25 H34 N3 O10 -","- C25 H34 N3 O10 -","- C100 H136 N12 O40 -","4","1","","Lalwani, Komal G.; Aher, Ravindra D.; Sudalai, Arumugam","Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates","RSC Adv.","2015","5","80","65554","","10.1039/C5RA09583B","","","0.71073","MoKα","","0.1004","0.0774","","","0.1916","0.2113","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221710","16.046","0.005","23.614","0.005","16.271","0.005","90","0.005","102.957","0.005","90","0.005","6008","3","150","2","150","2","","","","","","","Synthetic","6","P 1 21/n 1","-P 2yn","14","","Zinc (II) 7-[1-(5,10,15,20-tetraphenylporphyrin-2-yl)-1H-[1,2,3]triazol-4-yl-methoxy]-chromen-2-one","","- C62 H52 Cl9 N7 O7 Zn -","- C62 H52 Cl9 N7 O7 Zn -","- C248 H208 Cl36 N28 O28 Zn4 -","4","1","","Nath, Mahendra; Singh, Dileep Kumar","Synthesis and photophysical properties of β-triazole bridged porphyrin-coumarin dyads","RSC Adv.","2015","","","","","10.1039/C5RA13955D","","","0.71073","MoKα","","0.1311","0.102","","","0.2525","0.2711","","","","","","1.105","","","","has coordinates","152681","2020-10-21","18:00:00",""
"7221711","20.638","0.003","10.9657","0.0016","19.312","0.003","90","","103.687","0.007","90","","4246.4","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl2 N2 Pt Si2 -","- C41 H35 Cl2 N2 Pt Si2 -","- C164 H140 Cl8 N8 Pt4 Si8 -","4","1","","Ni, Jun; Kang, Jia-Jia; Wang, Hui-Hui; Gai, Xu-Qiao; Zhang, Xiao-Xin; Jia, Ting; Xu, Liang; Pan, Yu-Zhen; Zhang, Jian-Jun","A colorimetric/luminescent benzene compound sensor based on a bis(σ-acetylide) platinum(ii) complex: enhancing selectivity and reversibility through dual-recognition sites strategy","RSC Adv.","2015","5","80","65613","","10.1039/C5RA13987B","","","0.71073","MoKα","","0.1326","0.0691","","","0.1468","0.178","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221712","7.1264","0.0004","38.16","0.002","14.3796","0.001","90","","96.337","0.004","90","","3886.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H33 Cl3 N2 Pt Si2 -","- C38.5 H33 Cl3 N2 Pt Si2 -","- C154 H132 Cl12 N8 Pt4 Si8 -","4","1","","Ni, Jun; Kang, Jia-Jia; Wang, Hui-Hui; Gai, Xu-Qiao; Zhang, Xiao-Xin; Jia, Ting; Xu, Liang; Pan, Yu-Zhen; Zhang, Jian-Jun","A colorimetric/luminescent benzene compound sensor based on a bis(σ-acetylide) platinum(ii) complex: enhancing selectivity and reversibility through dual-recognition sites strategy","RSC Adv.","2015","5","80","65613","","10.1039/C5RA13987B","","","0.71073","MoKα","","0.0484","0.0371","","","0.0974","0.1029","","","","","","1.055","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221713","15.6576","0.0019","19.748","0.002","18.942","0.002","90","","96.895","0.002","90","","5814.6","1.1","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C12 H23 Mo3 N5 O29.5 P Re4 -","- C12 Mo3 N5 O29.5 P Re4 -","- C48 Mo12 N20 O118 P4 Re16 -","4","0.5","","Huo, Zhiyuan; Guo, Jipeng; Lu, Jingkun; Xu, Qiaofei; Ma, Pengtao; Zhao, Juan; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Nona-Vacant Keggin-Type Tricarbonyl Rhenium Derivate {[PMo3O16][Re(CO)3]4}5‒ and its Catalytic Performance for CO2 Cycloaddition Reactions","RSC Adv.","2015","","","","","10.1039/C5RA14201F","","","0.71073","MoKα","","0.0667","0.0497","","","0.1363","0.1433","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221714","18.012","0.002","6.5373","0.0008","14.3077","0.0019","90","","98.302","0.004","90","","1667.1","0.4","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Rao, Maddali L. N.; Dasgupta, Priyabrata","A concise route to functionalized benzofurans directly from gem-dibromoalkenes and phenols","RSC Adv.","2015","5","80","65462","","10.1039/C5RA13213D","","","0.71073","MoKα","","0.1541","0.0978","","","0.2589","0.3025","","","","","","1.065","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7221715","12.5772","0.0015","13.5174","0.0019","13.8758","0.0014","88.395","0.01","88.618","0.009","89.946","0.01","2357.4","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 Co N11 O6 -","- C48 H51 Co N11 O6 -","- C96 H102 Co2 N22 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0723","0.0525","","","0.1216","0.1349","","","","","","1.022","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221716","12.582","0.0005","13.4972","0.0007","13.9527","0.0005","88.824","0.004","88.632","0.003","89.748","0.004","2368.28","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N11 Ni O6 -","- C48 H51 N11 Ni O6 -","- C96 H102 N22 Ni2 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0567","0.0426","","","0.1003","0.109","","","","","","1.031","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221717","10.5901","0.0009","12.6454","0.001","14.7745","0.0012","72.448","0.007","82.861","0.007","88.524","0.007","1871.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Cu N7 O6 -","- C40 H39 Cu N7 O6 -","- C80 H78 Cu2 N14 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0503","0.0381","","","0.0847","0.0917","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221718","23.5066","0.0006","12.391","0.0003","29.062","0.002","90","","109.306","0.008","90","","7988.9","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl2 Co4 N12 O22 -","- C78 H78 Cl2 Co4 N12 O22 -","- C312 H312 Cl8 Co16 N48 O88 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0995","0.069","","","0.1874","0.209","","","","","","1.028","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221721","12.6956","0.0004","14.4449","0.0004","22.4981","0.0007","77.797","0.002","79.842","0.002","72.698","0.003","3821.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Co N8 O8 -","- C42 H39 Co N8 O8 -","- C168 H156 Co4 N32 O32 -","4","2","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.145","0.0746","","","0.1315","0.1562","","","","","","1.023","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221723","23.7809","0.0003","19.3947","0.0003","21.4148","0.0002","90","","97.9199","0.0012","90","","9782.8","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H102 Cl2 Cu4 N12 O28 -","- C84 H102 Cl2 Cu4 N12 O28 -","- C336 H408 Cl8 Cu16 N48 O112 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0779","0.0545","","","0.1529","0.1682","","","","","","1.075","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221724","11.7862","0.0005","21.7148","0.0008","16.764","0.0006","90","","101.32","0.004","90","","4207","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Co4 N2 O14 -","- C36 H50 Cl2 Co4 N2 O14 -","- C144 H200 Cl8 Co16 N8 O56 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0517","0.0372","","","0.085","0.0938","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221725","16.591","","16.098","0.003","16.591","0.002","90","","90","","90","","4431.2","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2-{[Benzhydryl-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amino]-methyl}-5-iodo-thiophene-3,4-diol","","","- C20 H17 I2 N O4 S2 -","- C20 H17 I2 N O4 S2 -","- C160 H136 I16 N8 O32 S16 -","8","1","","Xia, Jiangbin; Huang, Lili; Peng, Kai; Pei, Tong","Influence of Benzene Ring Number Attached on non-conjugated 3,4- Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA10007K","","","0.71073","MoKα","","0.0875","0.0475","","","0.1101","0.1269","","","","","","1.014","","","","has coordinates","152725","2020-10-21","18:00:00",""
"7221726","20.806","0.003","18.527","0.003","15.312","0.002","90","","109.866","0.004","90","","5551.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Benzhydryl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine","","","- C27 H23 I2 N O4 S2 -","- C27 H23 I2 N O4 S2 -","- C216 H184 I16 N8 O32 S16 -","8","2","","Xia, Jiangbin; Huang, Lili; Peng, Kai; Pei, Tong","Influence of Benzene Ring Number Attached on non-conjugated 3,4- Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA10007K","","","0.71073","MoKα","","0.0554","0.0369","","","0.0811","0.0901","","","","","","1.019","","","","has coordinates,has disorder","152725","2020-10-21","18:00:00",""
"7221727","15.259","0.003","10.425","0.002","16.754","0.003","90","","108.93","0.03","90","","2521","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Co N5 O7 -","- C26 H23 Co N5 O7 -","- C104 H92 Co4 N20 O28 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.078","0.0469","","","0.1081","0.1193","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221728","15.186","0.003","10.313","0.002","16.548","0.003","90","","109.05","0.03","90","","2449.7","0.9","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N5 Ni O7 -","- C26 H23 N5 Ni O7 -","- C104 H92 N20 Ni4 O28 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.0496","0.0357","","","0.087","0.091","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221729","15.446","0.003","10.012","0.002","16.856","0.003","90","","109.14","0.03","90","","2462.6","0.9","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cu N5 O7 -","- C26 H23 Cu N5 O7 -","- C104 H92 Cu4 N20 O28 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.1282","0.0581","","","0.1143","0.1376","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221730","9.579","0.0019","14.734","0.003","16.363","0.003","90","","90","","90","","2309.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N5 O6 Zn -","- C25 H19 N5 O6 Zn -","- C100 H76 N20 O24 Zn4 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.066","0.0416","","","0.0868","0.0959","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221731","15.42","0.003","10.43","0.002","16.718","0.003","90","","107.95","0.03","90","","2557.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cd N5 O7 -","- C26 H23 Cd N5 O7 -","- C104 H92 Cd4 N20 O28 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.0358","0.0283","","","0.0741","0.077","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221732","11.6133","0.0008","6.8128","0.0005","20.3843","0.0013","90","","108.514","0.003","90","","1529.32","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4a-hydroxy 3,3-dimethy-l 2,3,4,4a-tetrhydro-1H-benzo[b]xanthen-1-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Meshram, Harshadas Mitaram; L, Chandrasekhara Rao; N, satish kumar; Nanubolu, Jagadeesh Babu","Reinvestigation of the Reaction between 1, 3-Diketones and 2-Hydroxyarylaldehydes: A Short, Atom-Economical Entry to Tetrahydroxanthenones","RSC Adv.","2015","","","","","10.1039/C5RA10675C","","","0.71073","MoKα","","0.0605","0.0535","","","0.1274","0.1323","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221733","8.166","0.0004","9.365","0.0005","15.16","0.0009","90","","102.045","0.002","90","","1133.83","0.11","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazino-tetrathiafulvalene-pyrrole","2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-[1,3]dithiolo[4,5-b]pyrazine","","- C10 H5 N3 S4 -","- C10 H5 N3 S4 -","- C40 H20 N12 S16 -","4","1","","Park, Jung Su; Kim, Jihae; Kim, Yong-Hoon; Sessler, Jonathan L.","Effective Tuning of the Electronic and Photophysical Properties of Tetrathiafulvalene Pyrroles via Aromatic Heterocycle Annulation","RSC Adv.","2015","","","","","10.1039/C5RA14811A","","","0.7107","MoKα","","0.1265","0.0638","","","0.1086","0.1257","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221734","17.6278","0.0007","8.6461","0.0004","21.0723","0.0008","90","","105.829","0.0019","90","","3089.9","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O2 -","- C34 H30 N6 O2 -","- C136 H120 N24 O8 -","4","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.2845","0.1116","","","0.1468","0.209","","","","","","1.212","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221735","7.47796","0.00015","8.7915","0.00016","10.00729","0.00018","67.6476","0.001","72.0277","0.001","80.1605","0.001","577.708","0.019","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0565","","","","0.1959","","","","","","1.061","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221736","8.7038","0.0004","9.2191","0.0004","10.0892","0.0005","110.554","0.003","110.343","0.002","97.368","0.003","681.26","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.3279","0.0987","","","0.2117","0.3459","","","","","","0.879","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221737","8.572","0.0003","9.4914","0.0003","10.6283","0.0003","115.267","0.0012","98.1638","0.0014","102.707","0.0014","735.06","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0619","","","","0.2556","","","","","","1.134","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221738","8.4017","0.0002","10.0488","0.0003","10.0892","0.0003","95.1228","0.0012","102.045","0.0013","108.349","0.0012","779.59","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0566","","","","0.1945","","","","","","1.11","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221739","8.6252","0.0003","10.9509","0.0005","11.562","0.0007","94.067","0.004","93.088","0.004","112.605","0.004","1001.73","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.0652","0.0523","","","0.1508","0.1656","","","","","","1.036","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221740","14.3475","0.0011","11.0883","0.0011","20.423","0.002","90","","107.064","0.002","90","","3106.1","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N O2.5 -","- C19 H18 N O2.5 -","- C152 H144 N8 O20 -","8","1","","Basireddy, Venkata Subba Reddy; Swamy, T.; Maheshwar Rao, B.; Yadav, Jhillu S.; Ravinder, Vadde; Balasubramanian, Sridhar","Microwave-assisted, ruthenium-catalyzed intramolecular amide-alkyne annulation for the rapid synthesis of fused tricyclic isoquinolinones","RSC Adv.","2015","","","","","10.1039/C5RA11133A","","","0.71073","MoKα","","0.0625","0.0524","","","0.1438","0.1545","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221742","10.2252","0.0002","10.2252","0.0002","50.0545","0.001","90","","90","","90","","5233.43","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H28 Co N5 O3 -","- C28 H28 Co N5 O3 -","- C224 H224 Co8 N40 O24 -","8","1","","Das, Mithun; Ghosh, Biswa Nath; Bauza, Antonio; Rissanen, Kari; Frontera, Antonio; Chattopadhyay, Shouvik","Observation of novel oxygen•••oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: A combined experimental and computational study","RSC Adv.","2015","","","","","10.1039/C5RA13960K","","","1.54184","CuKα","","0.0442","0.0403","","","0.0927","0.094","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221743","9.55072","0.00015","12.7917","0.0002","18.0663","0.0003","90","","90","","90","","2207.16","0.06","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Co N5 O3 -","- C22 H28 Co N5 O3 -","- C88 H112 Co4 N20 O12 -","4","1","","Das, Mithun; Ghosh, Biswa Nath; Bauza, Antonio; Rissanen, Kari; Frontera, Antonio; Chattopadhyay, Shouvik","Observation of novel oxygen•••oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: A combined experimental and computational study","RSC Adv.","2015","","","","","10.1039/C5RA13960K","","","0.71073","MoKα","","0.0472","0.0364","","","0.0782","0.0845","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221744","5.6561","0.0006","11.4126","0.0012","12.2064","0.0012","116.614","0.001","91.131","0.002","104.114","0.002","675.58","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl I N4 O2 S -","- C10 H11 Cl I N4 O2 S -","- C20 H22 Cl2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0708","0.0479","","","0.1082","0.1199","","","","","","1.035","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221745","5.7185","0.0003","11.644","0.0006","12.3493","0.0006","116.697","0.0006","91.7117","0.0006","104.17","0.0007","702.94","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Br I N4 O2 S -","- C10 H11 Br I N4 O2 S -","- C20 H22 Br2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0555","0.039","","","0.0892","0.0965","","","","","","0.983","","","","has coordinates,has disorder","171030","2020-10-21","18:00:00",""
"7221746","5.7078","0.0005","11.5383","0.001","12.198","0.001","62.864","0.001","79.418","0.0012","76.98","0.0012","693.5","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Br N4 O3 S -","- C11 H14 Br N4 O3 S -","- C22 H28 Br2 N8 O6 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0399","0.0357","","","0.0822","0.0848","","","","","","1.053","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221747","5.709","0.003","11.532","0.006","12.116","0.006","62.675","0.008","79.693","0.009","77.507","0.009","689","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","1","0.5","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.082","0.0551","","","0.1073","0.1182","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221748","5.7879","0.0014","11.983","0.003","12.568","0.003","61.725","0.003","87.456","0.002","76.227","0.002","743.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I2 N4 O2 S -","- C10 H11 I2 N4 O2 S -","- C20 H22 I4 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.065","0.0428","","","0.0873","0.0969","","","","","","1.028","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221749","8.0577","0.0009","10.8694","0.0012","11.7471","0.0013","84.291","0.002","74.23","0.002","85.792","0.002","984.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 I3 N4 O4 S -","- C12 H17 I3 N4 O4 S -","- C24 H34 I6 N8 O8 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.036","0.0312","","","0.0754","0.0788","","","","","","1.025","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221750","8.004","0.002","11.247","0.003","11.473","0.003","83.925","0.004","89.442","0.004","72.371","0.004","978.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I5 N4 O2 S -","- C10 H11 I5 N4 O2 S -","- C20 H22 I10 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0633","0.0475","","","0.1162","0.1252","","","","","","1.07","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7221761","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221763","6.4176","0.0007","7.1023","0.0009","7.537","0.001","94.502","0.008","100.535","0.007","115.558","0.006","299.86","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-bromo-5-methylisoxazol-3-amine","4-bromo-5-methylisoxazol-3-amine","","- C4 H5 Br N2 O -","- C4 H5 Br N2 O -","- C8 H10 Br2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0331","0.0236","","","0.0575","0.061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221764","9.1046","0.0011","27.117","0.003","8.5164","0.0011","90","","102.813","0.002","90","","2050.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N3 O4 -","- C24 H16 N3 O4 -","- C96 H64 N12 O16 -","4","1","","Zang, Tie Nan; Zhao, Rui Rui; Yang, Xing Zhu; Gao, Yan; Wang, Guang Ke; Zhou, Ying; Liu, Bo; Zhang, Jun Feng","A Near-infrared Chemodosimeter with Pi-Selective Colorimetric and Fluorescent Sensing and Its Application In vivo Imaging","RSC Adv.","2015","","","","","10.1039/C5RA12835H","","","0.71073","MoKα","","0.09","0.0516","","","0.1324","0.163","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221765","10.184","0.002","10.348","0.002","18.091","0.004","102.34","0.03","99.19","0.03","93.95","0.03","1828","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 Cd N5 O14 -","- C31 H41 Cd N5 O14 -","- C62 H82 Cd2 N10 O28 -","2","1","","Wang, Fengqin; Wang, Chengmiao; Yu, Zongchao; He, Qingguo; Li, Xiuyu; Shang, Chonglong; Zhao, Yongnan","Two Luminescent Metal-Organic Frameworks with Multifunctional Properties for Nitroaromatic Compounds Sensing and Photocatalysis","RSC Adv.","2015","","","","","10.1039/C5RA11308C","","","0.71073","MoKα","","0.0527","0.0416","","","0.1049","0.1123","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221766","10.275","0.002","16.704","0.003","13.021","0.003","90","","102.8","0.03","90","","2179.3","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cd2 N6 O16 -","- C48 H40 Cd2 N6 O16 -","- C96 H80 Cd4 N12 O32 -","2","0.5","","Wang, Fengqin; Wang, Chengmiao; Yu, Zongchao; He, Qingguo; Li, Xiuyu; Shang, Chonglong; Zhao, Yongnan","Two Luminescent Metal-Organic Frameworks with Multifunctional Properties for Nitroaromatic Compounds Sensing and Photocatalysis","RSC Adv.","2015","","","","","10.1039/C5RA11308C","","","0.71073","MoKα","","0.0381","0.0313","","","0.0638","0.0667","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221767","11.7693","0.0005","19.6839","0.001","22.7064","0.0007","112.09","0.004","90.068","0.003","99.006","0.004","4803.7","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O2 -","- C26 H32 N4 O2 -","- C208 H256 N32 O16 -","8","4","","Yuan, Yuehua; Tian, Maozhong; Wang, Junling; Xie, Hai; Qin, Jun; Feng, Feng","Development and cell imaging applications of a novel fluorescent probe for Cu2+","RSC Adv.","2015","","","","","10.1039/C5RA11589B","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221768","9.4655","0.0006","15.5172","0.0009","8.5918","0.0007","90","","103.799","0.008","90","","1225.53","0.15","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-5,6-dimethoxy-3-propylidene-2,3-dihydro-1H-inden-1-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","Gedu, Satyanarayana; Bokka, Venkat Ramulu","Superacid Mediated Intramolecular Condensation: Facile Synthesis of Indenones and Indanones","RSC Adv.","2015","","","","","10.1039/C5RA12234A","","","1.54184","CuKα","","0.0689","0.0545","","","0.1498","0.1759","","","","","","1.082","","","","has coordinates","153354","2020-10-21","18:00:00",""
"7221769","45.646","0.007","45.646","0.007","10.915","0.002","90","","90","","120","","19695","6","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu N6 O15 -","- C14 H4 Cu N2 O9 -","- C252 H72 Cu18 N36 O162 -","18","1","","Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing","Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism","RSC Adv.","2015","","","","","10.1039/C5RA10459A","","","0.71073","MoKα","","0.0719","0.0677","","","0.1971","0.2016","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221770","32.47","0.001","22.115","0.001","20.273","0.001","90","","90","","90","","14557.5","1.1","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C114 H144 Cu9 N20 O79 -","- C84 H44 Cu9 N12 O56 -","- C336 H176 Cu36 N48 O224 -","4","0.5","","Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing","Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism","RSC Adv.","2015","","","","","10.1039/C5RA10459A","","","0.71073","MoKα","","0.1102","0.0663","","","0.1718","0.1827","","","","","","1.194","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221771","16.6013","0.0006","13.2647","0.0004","29.6078","0.0008","90","","92.656","0.003","90","","6513","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cu4 N10 O26 -","- C62 H40 Cu4 N10 O26 -","- C248 H160 Cu16 N40 O104 -","4","0.5","","Zhang, Na; Zhang, Jian-Yong; Jia, qin xiang; Deng, Wei; Gao, En-Qing","Solvent-controlled Structural Diversity Observed in Three Cu(II) MOFs with 2,2'-dinitro-biphenyl-4,4'-dicarboxylate Ligand: Synthesis, Structures and Magnetism","RSC Adv.","2015","","","","","10.1039/C5RA10459A","","","1.54184","CuKα","","0.0816","0.0745","","","0.2053","0.2107","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221772","8.664","0.003","12.433","0.005","13.034","0.005","90.964","0.006","90.323","0.006","106.542","0.006","1345.6","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 O6 P3 -","- C30 H21 O6 P3 -","- C60 H42 O12 P6 -","2","1","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.0909","0.0672","","","0.2008","0.228","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221773","11.0433","0.0012","16.6075","0.0019","18.186","0.002","90","","90","","90","","3335.3","0.6","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H22 Cl3 O3 P3 S3 -","- C31 H22 Cl3 O3 P3 S3 -","- C124 H88 Cl12 O12 P12 S12 -","4","0.5","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.0825","0.0657","","","0.2091","0.2237","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221774","11.165","0.002","12.927","0.003","21.775","0.004","83.949","0.003","84.534","0.003","77.702","0.003","3045","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H42.5 Cl1.5 O6 P6 Se6 -","- C60.5 H42.5 Cl1.5 O6 P6 Se6 -","- C121 H85 Cl3 O12 P12 Se12 -","2","1","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.1081","0.081","","","0.2066","0.2184","","","","","","1.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221775","9.319","0.002","19.982","0.004","18.209","0.004","90","","92.581","0.004","90","","3387.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C62 H44 Cl10 O6 P6 Pd2 -","- C62 H44 Cl10 O6 P6 Pd2 -","- C124 H88 Cl20 O12 P12 Pd4 -","2","0.5","","Sun, Yue; Yan, Meng-Qi; Liu, Yan; Lian, Ze-Yu; Meng, Tong; chen, Jian; Liu, Shenghua; Yu, Guang-Ao","Phenylphosphinacalix[3]trifuran: synthesis, coordination and application in the Suzuki-Miyaura cross-coupling reaction in water","RSC Adv.","2015","","","","","10.1039/C5RA11778J","","","0.71073","MoKα","","0.1176","0.103","","","0.2645","0.2747","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221776","4.715","0.002","12.331","0.005","24.742","0.011","90","","90","","90","","1438.5","1.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Meenatchi, V.; Agilandeshwari, R.; Meenakshisundaram, SP.","Synthesis, structure, characterization and theoretical studies of NLO active furan-2-carbohydrazide monohydrate derivative single crystals","RSC Adv.","2015","","","","","10.1039/C5RA07936E","","x-ray","0.71073","MoKα","","0.0615","0.0497","","","0.0981","0.1029","","","","","","1.0783","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221777","45.2139","0.0005","20.4624","0.0002","28.0974","0.0003","90","","100.59","0.0012","90","","25552.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C928 H1040 Cl12 Dy16 F192 N76 O144 -","8","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0742","0.0593","","","0.1665","0.1802","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221778","12.1694","0.0004","19.7909","0.0005","21.6427","0.0006","66.933","0.003","75.128","0.003","87.379","0.002","4626.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C190 H145 Dy4 F36 N15 O28 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0432","0.0338","","","0.0849","0.0906","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221779","8.2376","0.0006","8.5362","0.0007","10.4219","0.0009","94.615","0.007","98.69","0.007","99.967","0.007","709.21","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0739","0.0476","","","0.1089","0.1295","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221780","10.435","0.002","9.767","0.002","22.811","0.005","90","","93.83","0.03","90","","2319.7","0.8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-N-((7-methyl-2-phenylH-imidazo[1,2-a]pyridin-3-yl)(p-tolyl)methyl)pyridin-2-amine","","- C28 H26 N4 -","- C28 H26 N4 -","- C112 H104 N16 -","4","1","","Sanaeishoar, Haleh; Nazarpour, Roya; Mohave, Fouad","Novel one-pot pseudo four component reaction: expeditious synthesis of functionalized imidazo[1,2-a]pyridines","RSC Adv.","2015","5","84","68571","","10.1039/C5RA10891H","","","0.71073","MoKα","","0.0997","0.0621","","","0.1235","0.1381","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221781","13.15","0.004","13.4","0.005","19.555","0.007","105.163","0.006","91.364","0.005","94.812","0.007","3310","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl3 N3 O3 S -","- C35 H32 Cl3 N3 O3 S -","- C140 H128 Cl12 N12 O12 S4 -","4","2","","Guo, Wei-Si; Xin, Xing; Zhao, Ke-Long; Wen, Li-Rong; Li, Ming","Acid/base-controlled chemodivergent synthesis of two differently functionalized tetrahydroimidazo[1,2-a]pyridines","RSC Adv.","2015","","","","","10.1039/C5RA13395E","","","0.71073","MoKα","","0.1081","0.0964","","","0.2052","0.2124","","","","","","1.215","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221782","12.036","0.002","15.291","0.003","16.287","0.003","90","","100.7","0.03","90","","2945.4","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N3 O3 -","- C34 H28 Cl2 N3 O3 -","- C136 H112 Cl8 N12 O12 -","4","1","","Guo, Wei-Si; Xin, Xing; Zhao, Ke-Long; Wen, Li-Rong; Li, Ming","Acid/base-controlled chemodivergent synthesis of two differently functionalized tetrahydroimidazo[1,2-a]pyridines","RSC Adv.","2015","","","","","10.1039/C5RA13395E","","","0.71073","MoKα","","0.1867","0.1267","","","0.2631","0.2965","","","","","","1.116","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221783","10.055","0.002","17.628","0.003","18.524","0.004","101.2","0.03","95.65","0.03","94.92","0.03","3186.6","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H54 Cl6 N6 O3 S2 -","- C68 H54 Cl6 N6 O3 S2 -","- C136 H108 Cl12 N12 O6 S4 -","2","1","","Guo, Wei-Si; Xin, Xing; Zhao, Ke-Long; Wen, Li-Rong; Li, Ming","Acid/base-controlled chemodivergent synthesis of two differently functionalized tetrahydroimidazo[1,2-a]pyridines","RSC Adv.","2015","","","","","10.1039/C5RA13395E","","","0.71073","MoKα","","0.1052","0.0993","","","0.264","0.2716","","","","","","1.085","","","","has coordinates,has disorder","153402","2020-10-21","18:00:00",""
"7221784","6.8589","0.0005","26.104","0.0018","30.252","0.002","90","","90","","90","","5416.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Br N O4 -","- C30 H28 Br N O4 -","- C240 H224 Br8 N8 O32 -","8","2","","Maurya, Hardesh K.; Hasanain, Mohammad; Kumar, Ch. Pavan; Vasudeva, Prema G.; Sarkar, Jayanta; Chandrasekharam, M.; Gupta, Atul","Synthesis, photophysical and anticancer study of D-ring extended estrone analogues","RSC Adv.","2015","5","84","68843","","10.1039/C5RA11112A","","","0.71073","MoKα","","0.2057","0.0626","","","0.1214","0.1595","","","","","","0.931","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221785","8.2085","0.0012","9.8703","0.0014","17.3769","0.0019","83.411","0.01","82.267","0.01","73.463","0.013","1333","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu2 N4 O8 S2 -","- C26 H24 Cu2 N4 O8 S2 -","- C52 H48 Cu4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1579","0.0939","","","0.1892","0.2334","","","","","","1.033","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221786","8.2505","0.0008","10.2487","0.0011","16.795","0.002","86.545","0.006","86.59","0.006","75.057","0.005","1368.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 N4 O8 S2 -","- C26 H24 Ag2 N4 O8 S2 -","- C52 H48 Ag4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.0448","0.0327","","","0.0708","0.0774","","","","","","0.999","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221787","10.645","0.002","15.367","0.003","19.59","0.004","80.844","0.01","83.69","0.011","85.182","0.01","3137.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu4 N16 O18 S4 -","- C52 H40 Cu4 N16 O18 S4 -","- C104 H80 Cu8 N32 O36 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.119","0.0588","","","0.1407","0.1691","","","","","","1.021","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221788","7.0225","0.0007","13.2448","0.0014","19.1007","0.0018","71.555","0.004","79.412","0.002","74.632","0.002","1615.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Ag2 N8 O10 S2 -","- C26 H28 Ag2 N8 O10 S2 -","- C52 H56 Ag4 N16 O20 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.2282","0.0585","","","0.0638","0.0888","","","","","","0.973","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221790","14.5639","0.0006","14.7235","0.0006","19.5511","0.0008","72.143","0.002","70.919","0.002","77.78","0.002","3742.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Ag4 N8 O21 S4 -","- C64 H82 Ag4 N8 O21 S4 -","- C128 H164 Ag8 N16 O42 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1918","0.0589","","","0.1131","0.1507","","","","","","0.952","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221791","8.658","0.0006","10.2661","0.0007","13.9044","0.0009","76.212","0.001","72.962","0.001","72.097","0.001","1109.39","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl0 Co N10 O14 -","- C50 H36 Co N10 O14 -","- C50 H36 Co N10 O14 -","1","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0411","0.0342","","","0.0957","0.1007","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221792","7.2427","0.0004","25.0077","0.0014","15.4019","0.0008","90","","99.477","0.001","90","","2751.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl0 Co N5 O13 -","- C26 H23 Co N5 O13 -","- C104 H92 Co4 N20 O52 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0749","0.0559","","","0.1495","0.1631","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221793","10.0924","0.0006","11.0595","0.0007","13.9619","0.0008","66.831","0.001","83.421","0.001","71.279","0.001","1356.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl0 Co N4 O11 -","- C26 H26 Co N4 O11 -","- C52 H52 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0615","0.0412","","","0.0976","0.1072","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221794","10.0129","0.0019","10.724","0.002","13.961","0.003","73.385","0.003","73.609","0.004","64.888","0.003","1278.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl0 Co N4 O11 -","- C26 H24 Co N4 O11 -","- C52 H48 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0872","0.0685","","","0.1969","0.2136","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221795","9.9555","0.0006","16.481","0.001","16.1393","0.001","90","","100.673","0.001","90","","2602.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl0 Co N4 O9 -","- C27 H22 Co N4 O9 -","- C108 H88 Co4 N16 O36 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.055","0.0385","","","0.0986","0.1077","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221797","14.5284","0.0019","15.754","0.002","16.91","0.002","90","","93.141","0.002","90","","3864.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N8 O44 Si W12 -","- C52 H52 N8 O44 Si W12 -","- C104 H104 N16 O88 Si2 W24 -","2","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0802","0.0544","","","0.1148","0.1299","","","","","","1.043","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221798","21.61","0.003","21.283","0.003","16.8259","0.0019","90","","99.207","0.002","90","","7639","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Al Co N8 O43 W12 -","- C52 H38 Al Co N8 O43 W12 -","- C208 H152 Al4 Co4 N32 O172 W48 -","4","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0913","0.073","","","0.167","0.1759","","","","","","1.069","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221802","8.8946","0.0004","19.9678","0.001","18.779","0.0008","90","","98.166","0.005","90","","3301.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Heptaaqua-scandium(iii) tris(bis(trifluoromethylsulfonyl)imide) hydrate","","- C6 H16 F18 N3 O20 S6 Sc -","- C6 H16 F18 N3 O20 S6 Sc -","- C24 H64 F72 N12 O80 S24 Sc4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0402","0.0318","","","0.0695","0.0736","","","","","","1.046","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221803","12.9489","0.0003","18.4605","0.0005","12.9858","0.0003","90","","94.507","0.002","90","","3094.57","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)","","- C6 H10 F18 N3 O17 S6 Sm -","- C6 H10 F18 N3 O17 S6 Sm -","- C24 H40 F72 N12 O68 S24 Sm4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0265","0.0222","","","0.0503","0.0527","","","","","","1.038","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221805","12.8735","0.0006","18.3588","0.0009","12.9082","0.0006","90","","94.119","0.004","90","","3042.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-dysprosium(iii)","","- C6 H10 Dy F18 N3 O17 S6 -","- C6 H10 Dy F18 N3 O17 S6 -","- C24 H40 Dy4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0267","0.0222","","","0.0485","0.051","","","","","","1.041","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221807","12.9085","0.0003","18.369","0.0004","12.9307","0.0003","90","","94.275","0.002","90","","3057.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-terbium(iii)","","- C6 H10 F18 N3 O17 S6 Tb -","- C6 H10 F18 N3 O17 S6 Tb -","- C24 H40 F72 N12 O68 S24 Tb4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0246","0.02","","","0.0436","0.0454","","","","","","1.017","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221808","12.8788","0.0004","18.2797","0.0007","12.8814","0.0005","90","","94.524","0.003","90","","3023.1","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)","","- C6 H10 Er F18 N3 O17 S6 -","- C6 H10 Er F18 N3 O17 S6 -","- C24 H40 Er4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0209","0.0173","","","0.0397","0.0411","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221810","13.9874","0.001","20.9683","0.0012","16.3109","0.0013","90","","111.089","0.009","90","","4463.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Cl2 Fe3 N -","- C55 H41 Cl2 Fe3 N -","- C220 H164 Cl8 Fe12 N4 -","4","1","","Misra, Rajneesh; Maragani, Ramesh; Pathak, Biswarup; Gautam, Prabhat; Shaikh, Mobin M.","Star shaped Ferrocenyl Substituted Triphenylamines","RSC Adv.","2015","","","","","10.1039/C5RA13400E","","","1.5418","CuKα","","0.0895","0.0789","","","0.2183","0.2249","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221811","22.744","0.003","7.5503","0.0004","16.0634","0.0018","90","","131.075","0.018","90","","2079.5","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","6-(4-Bromo-phenyl)-3-fluoro-5-nitro-2-oxo-4-phenyl-piperidine-3-carboxylic acid ethyl ester","","- C20 H18 Br F N2 O5 -","- C20 H18 Br F N2 O5 -","- C80 H72 Br4 F4 N8 O20 -","4","1","","Huang, Xin; Pham, Kenny; Zhang, Xiaofeng; Yi, Wen-bin; Hyatt, Jeremy; Tran, Anthony P.; Jasinski, Jerry P.; Zhang, Wei","Recyclable Organocatalyst-promoted One-pot Michael/aza-Henry/lactamization Reactions for Fluorinated 2-Piperidinones Bearing Four Stereogenic Centres","RSC Adv.","2015","","","","","10.1039/C5RA15306A","","x-ray","1.54184","CuKα","","0.0524","0.0511","","","0.1306","0.1329","","","","","","1.079","","","","has coordinates","153423","2020-10-21","18:00:00",""
"7221812","11.7635","0.0014","11.8126","0.0014","12.2155","0.0014","72.343","0.004","86.285","0.004","83.168","0.004","1605.2","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C41 H39 N5 -","- C41 H39 N5 -","- C82 H78 N10 -","2","1","","Fürer, Sebastian O.; Bozic-Weber, Biljana; Neuburger, Markus; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic copper(i) sensitizers with one versus two hole-transporting units in functionalized 2,9-dimethyl-1,10-phenanthroline ancillary ligands","RSC Adv.","2015","5","85","69430","","10.1039/C5RA12296A","","","1.54178","CuKα","","0.0391","0.0375","","0.0477","0.0416","0.0411","","","","","","1.1112","","","","has coordinates","153450","2020-10-21","18:00:00",""
"7221813","21.402","0.004","15.012","0.003","15.999","0.003","90","","110","0.03","90","","4830.3","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br2 O P S -","- C25 H23 Br2 O P S -","- C200 H184 Br16 O8 P8 S8 -","8","2","","Xi, Chanjuan; Zhou, Yiqing; Wang, Sheng; Chen, Chao","Copper-Mediated Reaction of Oxazirconacyclopentenes with Dichlorophenylphosphine: A New Pathway for the Formation of 1,2-oxaphosphole Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA13818C","","","0.71073","MoKα","","","0.0879","","","0.2124","0.231","","","","","","1.077","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221814","7.685","0.002","9","0.003","11.089","0.004","106.45","0.04","104.02","0.03","103.26","0.03","676.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)penta-2,4-diynoate","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Tomilin, Denis; Pigulski, Bartłomiej; Gulia, Nurbey; Arendt, Agata; Sobenina, Luybov; Mikhaleva, Al'bina; Szafert, Slawomir; Trofimov, Boris","Direct Synthesis of Butadiynyl-Substituted Pyrroles under Solvent- and Transition Metal-Free Conditions. The First Formal Inverse Sonogashira Coupling for 1-Halobutadiynes","RSC Adv.","2015","","","","","10.1039/C5RA08820H","","","0.71073","MoKα","","0.0631","0.0519","","","0.1401","0.1474","","","","","","1.056","","","","has coordinates","153493","2020-10-21","18:00:00",""
"7221815","7.887","0.003","8.176","0.003","9.93","0.003","77.25","0.03","79.07","0.03","77.04","0.03","602","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5-(4,5,6,7-tetrahydro-1H-indol-2-yl)penta-2,4-diynoate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Tomilin, Denis; Pigulski, Bartłomiej; Gulia, Nurbey; Arendt, Agata; Sobenina, Luybov; Mikhaleva, Al'bina; Szafert, Slawomir; Trofimov, Boris","Direct Synthesis of Butadiynyl-Substituted Pyrroles under Solvent- and Transition Metal-Free Conditions. The First Formal Inverse Sonogashira Coupling for 1-Halobutadiynes","RSC Adv.","2015","","","","","10.1039/C5RA08820H","","","0.71073","MoKα","","0.0656","0.0528","","","0.1465","0.1534","","","","","","1.069","","","","has coordinates","153493","2020-10-21","18:00:00",""
"7221816","8.5067","0.0004","8.5067","0.0004","26.288","0.002","90","","90","","90","","1902.3","0.19","120","1","120","1","","","","","","","","6","P 43","P 4cw","78","","","","- C15.5 H12 Fe N8 O1.5 S2 -","- C15.5 H6 Fe N8 O1.5 S2 -","- C62 H24 Fe4 N32 O6 S8 -","4","1","","Romero-Morcillo, Tania; Valverde-Muñoz, Francisco J.; Muñoz, M. Carmen; Herrera, Juan Manuel; Colacio, Enrique; Real, José A.","Two-step spin crossover behaviour in the chiral one-dimensional coordination polymer [Fe(HAT)(NCS)2]\ιnfty","RSC Adv.","2015","5","85","69782","","10.1039/C5RA13491A","","","0.71073","MoKα","","0.0753","0.0645","","","0.1685","0.1849","","","","","","0.942","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221817","7.4378","0.0004","8.9941","0.0004","9.8914","0.0005","75.2719","0.0017","72.7974","0.0017","82.7345","0.0017","610.39","0.05","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate","","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0463","0.0343","","","0.0736","0.0777","","","","","","1.04","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221818","8.0578","0.0006","8.3568","0.0006","10.1944","0.0006","79.288","0.005","69.725","0.006","82.953","0.006","631.44","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","di(N-4-pyridylnicotinamide)copper(II)acetate","","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","","0.71073","MoKα","","0.0403","0.0348","","","0.0768","0.081","","","","","","1.08","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221819","7.3668","0.0005","9.1365","0.0006","9.9565","0.0006","76.1428","0.0018","73.5323","0.0018","83.61","0.002","623.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)cadmium(II)nitrate","","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0595","0.0592","","","0.1492","0.1497","","","","","","1.072","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221820","16.3055","0.0003","22.8004","0.0004","15.2496","0.0003","90","","97.353","0.002","90","","5622.75","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquadi(N-4-pyridylnicotinamide)cadmium(II)acetate dihydrate","","- C26 H30 Cd N6 O9 -","- C26 H30 Cd N6 O9 -","- C208 H240 Cd8 N48 O72 -","8","2","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.057","0.0329","","","0.0608","0.0675","","","","","","1.023","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221821","7.7432","0.0015","9.579","0.0019","21.157","0.004","95.62","0.03","99.49","0.03","108.71","0.03","1446.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TPAANPCHO","","- C39 H27 N O -","- C38.996 H27 N O -","- C77.992 H54 N2 O2 -","2","1","","Wei, Jinbei; Liang, Baoyan; Cheng, Xiao; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue","High-contrast and reversible mechanochromic luminescence of a D-π-A compound with a twisted molecular conformation","RSC Adv.","2015","","","","","10.1039/C5RA12050K","","","0.71073","MoKα","","0.1014","0.0584","","","0.1656","0.1921","","","","","","0.979","","","","has coordinates,has disorder","153513","2020-10-21","18:00:00",""
"7221822","34.719","0.007","7.6271","0.0015","11.943","0.002","90","","97.05","0.03","90","","3138.7","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C168 H108 N12 -","4","1","","Wei, Jinbei; Liang, Baoyan; Cheng, Xiao; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue","High-contrast and reversible mechanochromic luminescence of a D-π-A compound with a twisted molecular conformation","RSC Adv.","2015","5","88","71903","71910","10.1039/C5RA12050K","","","0.71073","MoKα","","0.0632","0.0443","","","0.115","0.1263","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221823","6.1944","0.0002","11.6799","0.0003","11.8941","0.0003","90","","94.528","0.003","90","","857.85","0.04","100","10","100","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5,6-Trimethylbenzo[d]oxazole","","","- C10 H11 N O -","- C10 H11 N O -","- C40 H44 N4 O4 -","4","1","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Nadein, Oleg N.; Aksenov, Dmitrii A.; Smirnov, Alexander N.; Rubin, Michael","One-pot synthesis of benzoxazoles via the metal-free ortho-C-H functionalization of phenols with nitroalkanes","RSC Adv.","2015","","","","","10.1039/C5RA15128G","","","1.54184","CuKα","","0.0436","0.0405","","","0.1142","0.1191","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221824","3.8346","0.0001","8.0536","0.0003","13.7021","0.0005","90","","94.664","0.003","90","","421.75","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Dimethylbenzo[1,2-d:5,4-d']bis(oxazole)","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C20 H16 N4 O4 -","2","0.5","","Aksenov, Nicolai A.; Aksenov, Alexander V.; Nadein, Oleg N.; Aksenov, Dmitrii A.; Smirnov, Alexander N.; Rubin, Michael","One-pot synthesis of benzoxazoles via the metal-free ortho-C-H functionalization of phenols with nitroalkanes","RSC Adv.","2015","","","","","10.1039/C5RA15128G","","","1.54184","CuKα","","0.0371","0.0338","","","0.09","0.0952","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221825","14.6421","0.0004","17.5486","0.0004","15.7326","0.0004","90","","113.693","0.0011","90","","3701.74","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bimetallic oxovanadiumV","","- C76 H106 N6 O7 V2 -","- C76 H106 N6 O7 V2 -","- C152 H212 N12 O14 V4 -","2","0.5","","Díaz-Urrutia, Christian; Chen, Wei-Ching; Crites, Charles-Oneil; Daccache, Jennifer; Korobkov, Ilia; Baker, R. Tom","Towards lignin valorisation: comparing homogeneous catalysts for the aerobic oxidation and depolymerisation of organosolv lignin","RSC Adv.","2015","5","86","70502","","10.1039/C5RA15694G","","","0.71073","MoKα","","0.043","0.0369","","","0.0963","0.103","","","","","","1.029","","","","has coordinates","153517","2020-10-21","18:00:00",""
"7221826","16.9149","0.0012","9.1324","0.0009","18.185","0.002","90","","92.98","0.01","90","","2805.3","0.5","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu Mn N2 O10 S4 -","- C36 H54 Cu2 Mn2 N4 O20 S8 -","- C72 H108 Cu4 Mn4 N8 O40 S16 -","2","0.5","","Kalisz, Marguerite; Cassaro, Rafael A. A.; Novak, Miguel A.; Andruh, Marius; Amorim, Helio S.; Vaz, Maria G. F.","A two-dimensional CuII‒MnIIheterometallic coordination polymer: structure determination using synchrotron X-ray powder diffraction and magnetic properties","CrystEngComm","2015","17","38","7423","","10.1039/C5CE01537E","powder diffraction","","","Synchrotron","","","","","","","","","6.6713","","","","","","","","has coordinates","171010","2020-10-21","18:00:00",""
"7221827","20.765","0.002","9.4741","0.0005","14.1307","0.0013","90","","101.612","0.008","90","","2723","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyt:phen","Cytosine:1,-10-phenanthroline","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1033","0.0644","","","0.1524","0.1684","","","","","","0.865","","","","has coordinates","171068","2020-10-21","18:00:00",""
"7221828","9.0667","0.0012","11.4557","0.0015","14.1193","0.0019","100.93","0.003","102.475","0.002","91.188","0.002","1403","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H49 N3 Si3 -","- C22 H49 N3 Si3 -","- C44 H98 N6 Si6 -","2","1","","Du, Liyong; Chu, Wenxiang; Miao, Hongyan; Xu, Chongying; Ding, Yuqiang","Synthesis, Characterization, Thermal Properties of Silicon(IV) Compounds Containing Guanidinato Ligands and Their Potential as CVD Precursors","RSC Adv.","2015","","","","","10.1039/C5RA09755J","","","0.71073","MoKα","","0.0777","0.0574","","","0.1809","0.2258","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221829","9.331","0.004","9.361","0.004","14.996","0.007","99.88","0.011","93.805","0.012","109.819","0.01","1203","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H41 N3 Si3 -","- C16 H41 N3 Si3 -","- C32 H82 N6 Si6 -","2","1","","Du, Liyong; Chu, Wenxiang; Miao, Hongyan; Xu, Chongying; Ding, Yuqiang","Synthesis, Characterization, Thermal Properties of Silicon(IV) Compounds Containing Guanidinato Ligands and Their Potential as CVD Precursors","RSC Adv.","2015","","","","","10.1039/C5RA09755J","","","0.71073","MoKα","","0.1199","0.0607","","","0.1506","0.1834","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221830","8.8577","0.0008","12.0523","0.0011","13.6494","0.0013","114.24","0.001","96.357","0.001","98.617","0.001","1289.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F9 O10 Tb -","- C24 H14 F9 O10 Tb -","- C48 H28 F18 O20 Tb2 -","2","1","","Li, Sha-Sha; Ye, Zhen-Ni; Xu, Song-Song; Zhang, Yu-Jiao; Tao, An-Ran; Liu, Min; Zeng, Cheng-Hui; zhong, shengliang","Highly Luminescent Lanthanide CPs Based on Dinuclear Cluster: Crystal Structure and Sensitive Trp Sensor","RSC Adv.","2015","","","","","10.1039/C5RA12149C","","","0.71073","MoKα","","0.0223","0.0218","","","0.0569","0.0572","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221831","6.0046","0.0006","6.0046","0.0006","45.98","0.006","90","","90","","120","","1435.7","0.3","293","2","293","2","","","","","","","see text","3","P 32 2 1","P 32 2""","154","","(1R,2R,6R,8S,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^{2,6}.0^{10,14}] tetradecan-4- one","","- C10 H12 O5 -","- C10 H12 O5 -","- C60 H72 O30 -","6","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","1.5418","CuKα","","0.0522","0.042","","","0.0981","0.1058","","","","","","1.063","","","","has coordinates","153540","2020-10-21","18:00:00",""
"7221832","10.42","0.005","5.899","0.003","15.377","0.008","90","","94.096","0.007","90","","942.8","0.8","291","2","291","2","","","","","","","see text","3","C 1 2 1","C 2y","5","","(1r,2R,6S,8r,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^2,6^.0^10,14^]tetradecane","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan","The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran","RSC Adv.","2015","5","87","70899","","10.1039/C5RA13749G","","","0.71073","MoKa","","0.0858","0.0778","","","0.1887","0.1933","","","","","","1.283","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221833","13.7688","0.0017","13.7688","0.0017","6.1919","0.0008","90","","90","","120","","1016.6","0.2","100","2","100","2","","","","","","","","3","P 31","P 31","144","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C45 H72 O6 -","3","1","","Gao, J.-M.; Zhang, Qiang; Tang, Hao-Yu","Endophyte inspired chemical diversity from beta-caryophyllene","RSC Adv.","2015","","","","","10.1039/C5RA14243A","","","0.71073","MoKα","","0.0313","0.03","","","0.0783","0.0792","","","","","","1.05","","","","has coordinates","153541","2020-10-21","18:00:00",""
"7221834","7.512","0.0002","20.1473","0.0008","11.4124","0.0005","90","","90","","90","","1727.23","0.11","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H17 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Wang, Fuyuan; Shen, Jinhai; Cheng, Guolin; Cui, Xiuling","Practical Access to 1,3,5-Triarylbenzenes from Chalcones and DMSO","RSC Adv.","2015","","","","","10.1039/C5RA13137E","","","1.54184","CuKα","","0.0475","0.0383","","","0.1","0.1067","","","","","","1.08","","","","has coordinates","153542","2020-10-21","18:00:00",""
"7221835","5.8603","0.0005","11.0162","0.0013","19.371","0.002","76.719","0.007","87.487","0.006","80.98","0.006","1202","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","5e","(E)-methyl 2-(4-benzyl-1-(3-(dimethylamino)propyl)-8-nitro-3- oxo-3,4-dihydropyrazino[2,3-b]quinoxalin-2(1H)-ylidene)acetate","","- C25 H26 N6 O5 -","- C25 H26 N6 O5 -","- C50 H52 N12 O10 -","2","1","","Kanungo, Ajay; Patra, Dipendu; Mukherjee, Sanghamitra; Mahata, Tridib; Maulik, Prakas R.; Dutta, Sanjay","Synthesis of a visibly emissive 9-nitro-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-5-amine scaffold with large stokes shift and live cell imaging","RSC Adv.","2015","5","87","70958","","10.1039/C5RA12960E","","","0.71073","MoKα","","0.1671","0.0558","","","0.1352","0.1831","","","","","","0.943","","","","has coordinates","153543","2020-10-21","18:00:00",""
"7221836","8.4267","0.0009","10.4362","0.0012","17.949","0.002","90","","100.189","0.007","90","","1553.6","0.3","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-methyl 2-(4-benzyl-1-(3-(dimethylamino)propyl)-8-nitro-3-oxo-3,4-dihydropyrazino[2,3-b]quinoxalin-2(1H)-ylidene)acetate","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C64 H60 N20 O12 -","4","2","","Kanungo, Ajay; Patra, Dipendu; Mukherjee, Sanghamitra; Mahata, Tridib; Maulik, Prakas R.; Dutta, Sanjay","Synthesis of a visibly emissive 9-nitro-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-5-amine scaffold with large stokes shift and live cell imaging","RSC Adv.","2015","5","87","70958","","10.1039/C5RA12960E","","","0.71073","MoKα","","0.1039","0.0451","","","0.0985","0.1245","","","","","","0.958","","","","has coordinates,has disorder","153543","2020-10-21","18:00:00",""
"7221837","19.9651","0.0007","6.1398","0.0002","15.2881","0.0006","90","","116.927","0.001","90","","1670.87","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","0.5","","Edwards, Andrew Stephen; Bennin, Trevor; Rubina, Marina; Rubin, Michael","Synthesis of 1,5-Dioxocanes via the Two-Fold C-O Bond Forming Nucleophilic 4+4-Cyclodimerization of Cycloprop-2-en-1-ylmethanols","RSC Adv.","2015","","","","","10.1039/C5RA14077C","","","1.54178","CuKα","","0.0349","0.0347","","","0.0941","0.0944","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221838","20.2211","0.0017","95.38","0.009","12.5142","0.001","90","","90","","90","","24136","4","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","rhodamine-B-hydrazone of isophthalaldehyde","","","- C64 H66 N8 O4 -","- C64 H66 N8 O4 -","- C1024 H1056 N128 O64 -","16","1","","Chattopadhyay, Pabitra; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Patra, Mousumi; Lahiri, Susmita","Selective and sensitive turn-on chemosensor for Al(III) ion applicable in living organism: nanomolar detection in aqueous medium","RSC Adv.","2015","","","","","10.1039/C5RA13478A","","","0.71073","MoKα","","0.1135","0.0677","","","0.1474","0.1665","","","","","","1.063","","","","has coordinates","194038","2020-10-21","18:00:00",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221845","5.8941","0.0005","7.5206","0.0008","15.7272","0.001","103.039","0.008","96.056","0.006","94.487","0.007","671.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0569","0.0341","","","0.0691","0.0709","","","","","","0.987","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221846","6.051","0.0003","7.5054","0.0004","15.6246","0.0014","102.512","0.006","96.5","0.006","94.693","0.005","684.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0754","0.0485","","","0.1011","0.104","","","","","","0.993","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221847","11.183","0.0003","29.7328","0.0007","17.7124","0.0005","90","","98.941","0.003","90","","5817.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.6 H58.4 Cu N10 O6.6 -","- C64.6 H57.8 Cu N10 O6.6 -","- C258.4 H231.2 Cu4 N40 O26.4 -","4","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0853","0.0667","","","0.1961","0.2058","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221848","11.534","0.001","15.8814","0.0008","16.7622","0.0014","71.888","0.006","87.185","0.007","87.131","0.006","2912.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl2 Cu N8 O9 -","- C64 H56 Cl2 Cu N8 O9 -","- C128 H112 Cl4 Cu2 N16 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0981","0.0504","","","0.1012","0.1103","","","","","","0.974","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221849","11.64037","0.00019","15.846","0.0004","17.0057","0.0003","70.7034","0.0019","86.7179","0.0016","88.1588","0.0016","2955.39","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl2 Cu N9 O9 -","- C66 H59 Cl2 Cu N9 O9 -","- C132 H118 Cl4 Cu2 N18 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0496","0.035","","","0.0921","0.0951","","","","","","1.068","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221851","11.0254","0.0004","22.5624","0.0006","14.028","0.0005","90","","93.327","0.003","90","","3483.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C136 H140 Cl3 Cu4 N17 O22 -","2","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0737","0.0584","","","0.1772","0.1846","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221853","16.2205","0.0007","17.8175","0.0006","26.7171","0.0006","73.031","0.003","84.929","0.003","68.555","0.004","6872.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37.2 Cl2 Cu N6 O0.6 -","- C45 H36 Cl2 Cu N6 O0.6 -","- C270 H216 Cl12 Cu6 N36 O3.6 -","6","3","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0655","0.0475","","","0.1425","0.1483","","","","","","0.952","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221856","15.097","0.003","8.94","0.0017","19.597","0.004","90","","105.171","0.003","90","","2552.8","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 Cr N4 O14 -","- C21 H25 Cr N4 O14 -","- C84 H100 Cr4 N16 O56 -","4","2","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.0394","0.0347","","","0.0818","0.086","","","","","","1.029","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221857","18.761","0.0018","8.3037","0.0008","18.9883","0.0019","90","","90","","90","","2958.1","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H31 Cr N8 O13 -","- C26 H31 Cr N8 O13 -","- C104 H124 Cr4 N32 O52 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.0503","0.044","","","0.1088","0.1146","","","","","","1.017","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221858","14.7083","0.0005","6.8757","0.0003","22.414","0.0008","90","","90.387","0.001","90","","2266.67","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Co N O9 -","- C7 H11 Co N O9 -","- C56 H88 Co8 N8 O72 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.04","0.0375","","","0.1062","0.1079","","","","","","1.072","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221859","14.7013","0.0006","6.8433","0.0003","22.2874","0.001","90","","90.163","0.001","90","","2242.22","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 N Ni O9 -","- C7 H11 N Ni O9 -","- C56 H88 N8 Ni8 O72 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.0469","0.0444","","","0.1172","0.1189","","","","","","1.169","","","","has coordinates,has disorder","153574","2020-10-21","18:00:00",""
"7221860","10.0736","0.0009","11.177","0.001","11.6302","0.0011","87.916","0.001","79.547","0.001","64.073","0.001","1156.77","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-4-methylpydidinium) trichlorido(pyridine-2,6-dicarboxylato)ferrate(III) hydrate","","- C19 H23 Cl3 Fe N5 O5 -","- C19 H23 Cl3 Fe N5 O5 -","- C38 H46 Cl6 Fe2 N10 O10 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; shamsipur, mojtaba; Saeedi, Mahdi; Ardalani, Mehdi; Bauza, Antonio; Mague, Joel T.; Frontera, Antonio; Habibi, Morteza","Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism","RSC Adv.","2015","","","","","10.1039/C5RA09526C","","","0.71073","MoKα","","0.038","0.0303","","","0.075","0.0806","","","","","","1.063","","","","has coordinates","153574","2020-10-21","18:00:00",""
"7221861","10.2281","0.0008","8.6541","0.0007","16.832","0.0014","90","","94.512","0.004","90","","1485.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","R1","ns44","","- C11 H15 Br3 N2 O -","- C11 H15 Br3 N2 O -","- C44 H60 Br12 N8 O4 -","4","1","","Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder; Jang, Doo Ok","A benzimidazolium-based organic trication: a selective fluorescent sensor for detecting cysteine in water","RSC Adv.","2015","","","","","10.1039/C5RA14501E","","","0.71073","MoKα","","0.0379","0.0315","","","0.0748","0.0774","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221862","5.0152","0.0007","15.45","0.002","20.528","0.003","90","","90","","90","","1590.6","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Larionov, Vladimir A.; Markelova, Elina P.; Smol’yakov, Alexander F.; Savel’yeva, Tat’yana F.; Maleev, Victor I.; Belokon, Yuri N.","Chiral octahedral complexes of Co(III) as catalysts for asymmetric epoxidation of chalcones under phase transfer conditions.","RSC Adv.","2015","","","","","10.1039/C5RA11760G","","","1.54178","CuKα","","0.0683","0.0672","","","0.2033","0.206","","","","","","1.001","","","","has coordinates","153608","2020-10-21","18:00:00",""
"7221863","9.7805","0.0007","7.2405","0.0005","10.0361","0.0007","90","","108.917","0.002","90","","672.33","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F13 O5 Sr4 V3 -","- F13 O5 Sr4 V3 -","- F26 O10 Sr8 V6 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0398","0.0298","","","0.0576","0.0606","","","","","","1.03","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221864","10.1963","0.0007","7.3172","0.0005","13.9271","0.001","90","","99.057","0.002","90","","1026.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F18 O8 Pb7 V4 -","- F18 O8 Pb7 V4 -","- F36 O16 Pb14 V8 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0368","0.0306","","","0.0678","0.0703","","","","","","1.101","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221865","5.6675","0.0005","7.3492","0.0006","8.3152","0.0007","101.234","0.0012","108.995","0.0013","110.625","0.0012","287.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 O2 Pb2 V -","- F5 O2 Pb2 V -","- F10 O4 Pb4 V2 -","2","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0322","0.0305","","","0.0765","0.0771","","","","","","1.27","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221866","5.6675","0.0004","15.7931","0.0012","12.9995","0.0009","90","","92.019","0.002","90","","1162.83","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F6 O Pb2 V -","- F6 O Pb2 V -","- F48 O8 Pb16 V8 -","8","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0293","0.026","","","0.0564","0.0577","","","","","","1.096","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221867","8.371","0.0005","10.0074","0.0006","12.816","0.0008","67.264","0.004","80.722","0.005","86.904","0.005","977.2","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O4 S -","- C21 H17 N3 O4 S -","- C42 H34 N6 O8 S2 -","2","1","","Sinha, Chittaranjan; Mondal, Sudipa; Ojha, Durbadal; Mondal, Tapan K.; Chattopadhyay, Debprasad; Bhanja, Anup Kumar","Fluorescence sensing and intracellular imaging of Al3+ ions by using naphthyl appended sulfonamide chemosensor : structure, computation and biological studies","RSC Adv.","2015","","","","","10.1039/C5RA11548E","","","0.71073","MoKα","","0.1198","0.0602","","","0.139","0.1661","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221868","53.31","0.005","5.4433","0.0005","11.0524","0.0009","90","","97.6","0.006","90","","3179","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cd O8 -","- C40 H30 Cd O8 -","- C160 H120 Cd4 O32 -","4","0.5","","Prasad, Komal; Haldar, Ritesh; Maji, Tapas Kumar","Rational design of a pyrene based luminescent porous supramolecular framework: excimer emission and energy transfer","RSC Adv.","2015","","","","","10.1039/C5RA14267A","","","0.71073","MoKα","","0.0954","0.0661","","","0.1828","0.217","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221869","30.904","0.005","16.245","0.005","8.387","0.005","90","0.005","90.17","0.005","90","0.005","4211","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N2 O10 Zn -","- C50 H42 N2 O10 Zn -","- C200 H168 N8 O40 Zn4 -","4","0.5","","Prasad, Komal; Haldar, Ritesh; Maji, Tapas Kumar","Rational design of a pyrene based luminescent porous supramolecular framework: excimer emission and energy transfer","RSC Adv.","2015","","","","","10.1039/C5RA14267A","","","0.71073","MoKα","","0.1156","0.0571","","","0.1479","0.168","","","","","","0.853","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7221870","10.6305","0.0006","11.4052","0.0007","14.0678","0.0009","97.221","0.004","111.326","0.004","102.377","0.004","1512.53","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H39 N O2 -","- C39 H39 N O2 -","- C78 H78 N2 O4 -","2","1","","Naveen, Kanagaraj; Avanashiappan, Nandakumar; Paramasivan Thirumalai, Perumal","Synthesis of tetra-substituted olefins via annulation by Pd-catalyzed carbopalladation/C-H activation and solid state fluorescence properties","RSC Adv.","2015","","","","","10.1039/C5RA14621F","","","0.71073","MoKα","","0.118","0.0554","","","0.138","0.1787","","","","","","0.987","","","","has coordinates","153646","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221877","5.2819","0.0005","8.9293","0.0009","9.3525","0.0009","104.658","0.009","99.308","0.008","99.803","0.008","410.69","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","acetazolamide","acetazolamide","","- C4 H6 N4 O3 S2 -","- C4 H6 N4 O3 S2 -","- C8 H12 N8 O6 S4 -","2","1","","Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N.","SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide.","Physical chemistry chemical physics : PCCP","2015","17","38","25411","25420","10.1039/c5cp04412j","","x-ray","0.71073","MoKα","","0.015","0.013","","","","0.034","","","","","","0.923","","","","has coordinates","162227","2020-10-21","18:00:00",""
"7221878","8.5592","0.0004","16.624","0.0008","14.1389","0.0006","90","","96.372","0.002","90","","1999.37","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 F3 N4 O6 -","- C21 H11 F3 N4 O6 -","- C84 H44 F12 N16 O24 -","4","1","","Zhu, Hai-Liang; Wang, Fang; Wang, Xue; Zhang, Min Xia; Yang, Yong-Hua","Synthesis, biological evaluation and molecular modeling of 1H-benzo[d]imidazole derivatives as novel anti-tubulin polymerization agents","RSC Adv.","2015","","","","","10.1039/C5RA13746B","","","0.71073","MoKα","","0.0819","0.0503","","","0.1167","0.1338","","","","","","1.041","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7221879","11.4807","0.0013","12.922","0.0014","13.0863","0.0015","64.329","0.001","75.109","0.001","74.173","0.001","1661.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 Ir N5 S2 -","- C41 H26 Ir N5 S2 -","- C82 H52 Ir2 N10 S4 -","2","1","","Mei, Qunbo; Shi, Yujie; Hua, Qingfang; tong, bihai","Phosphorescent chemosensor for Hg2+ based on iridium(III) complex coordinated with 4-phenylquinazoline and carbazole dithiocarbamate","RSC Adv.","2015","","","","","10.1039/C5RA09609J","","","0.71073","MoKα","","0.0292","0.0265","","","0.0672","0.0687","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221880","15.3324","0.0006","5.1202","0.0002","18.0418","0.0007","90","","90.979","0.004","90","","1416.16","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0432","0.0383","","","0.1008","0.1044","","","","","","1.109","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221881","15.3847","0.0005","5.2035","0.0002","18.228","0.0007","90","","90.913","0.003","90","","1459.04","0.09","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0845","0.0516","","","0.1255","0.1423","","","","","","1.052","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221882","11.7774","0.0007","5.3159","0.0016","23.349","0.003","90","","97.592","0.007","90","","1449","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0712","0.0496","","","0.1078","0.1191","","","","","","1.021","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221883","11.8744","0.0007","5.314","0.0005","23.4934","0.0014","90","","97.072","0.005","90","","1471.17","0.19","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0986","0.0566","","","0.1331","0.1544","","","","","","1.076","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221884","7.4723","0.0005","17.3131","0.0008","11.3273","0.0005","90","","90","","90","","1465.4","0.14","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","","","0.0971","0.0701","","","0.1752","0.2003","","","","","","0.983","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221885","7.606","0.0006","17.2147","0.0009","11.3303","0.0006","90","","90","","90","","1483.53","0.16","290","2","290","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0964","0.0717","","","0.1766","0.1964","","","","","","1.122","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221886","10.9709","0.0004","11.8263","0.0003","11.9472","0.0004","90","","110.334","0.004","90","","1453.49","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.0431","0.04","","","0.1088","0.1112","","","","","","1.096","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221887","10.966","0.005","12.084","0.005","11.968","0.005","90","","110.14","0.04","90","","1488.9","1.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","x-ray","0.71073","MoKα","","0.0684","0.0468","","","0.1212","0.1346","","","","","","1.042","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221888","29.4285","0.0019","8.8477","0.0005","11.4839","0.0006","90","","97.468","0.005","90","","2964.8","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","","0.71073","MoKα","","0.053","0.0441","","","0.1282","0.1356","","","","","","1.089","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221889","29.4372","0.0012","9.0498","0.0004","11.493","0.0004","90","","97.479","0.004","90","","3035.7","0.2","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","","Kurteva, Vanya; Shivatchev, Boris; Petrova, Rosica; Antonov, Liudmil; Lubenov, Lubomir A.; Atanassova, Maria; Simova, Svetlana","Conformational behaviour of 3-methyl-4-(4-methylbenzoyl)-1-phenyl-pyrazol-5-one: a sudden story of three desmotrops","RSC Adv.","2015","","","","","10.1039/C5RA11858A","","x-ray","0.71073","MoKα","","0.0683","0.0507","","","0.1349","0.148","","","","","","1.011","","","","has coordinates","153668","2020-10-21","18:00:00",""
"7221890","12.5995","0.0009","12.5995","0.0009","7.5587","0.0005","90","","90","","120","","1039.16","0.13","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","PhosCy3","tris(4-cyanatophenyl) phosphate","","- C21 H12 N3 O7 P -","- C21 H12 N3 O7 P -","- C42 H24 N6 O14 P2 -","2","0.333333","","Harvey, Benjamin Grant; Chafin, Andrew; Garrison, Michael; Cambrea, Lee; Groshens, Thomas J.","Synthesis, Characterization, and Cure Chemistry of High Performance Phosphate Cyanate Ester Resins","RSC Adv.","2015","","","","","10.1039/C5RA16197E","","","0.71073","Mokα","","0.027","0.0255","","","0.058","0.0591","","","","","","1.01","","","","has coordinates","153669","2020-10-21","18:00:00",""
"7221891","16.3601","0.0008","6.1956","0.0003","16.4686","0.0008","90","","108.141","0.002","90","","1586.29","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O S -","- C20 H17 N O S -","- C80 H68 N4 O4 S4 -","4","1","","Prasad, Chelluri Durga Durga; Verma, Ajay; Sattar, Moh; Kumar, Sangit","Silver Mediated Thio-Acetoxylation and TFA Triggered Cyclization of Amino Disulfides with Unactivated Alkenes: Synthesis of 3-Aryl/Alkyl-1,4-benzothiazines","RSC Adv.","2015","","","","","10.1039/C5RA12995H","","x-ray","0.71073","MoKα","","0.0419","0.0352","","","0.0921","0.0972","","","","","","1.038","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7221892","6.2101","0.0004","21.6012","0.0015","10.6587","0.0008","90","","90","","90","","1429.82","0.17","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C68 H68 N4 O4 S4 -","4","1","","Prasad, Chelluri Durga Durga; Verma, Ajay; Sattar, Moh; Kumar, Sangit","Silver Mediated Thio-Acetoxylation and TFA Triggered Cyclization of Amino Disulfides with Unactivated Alkenes: Synthesis of 3-Aryl/Alkyl-1,4-benzothiazines","RSC Adv.","2015","","","","","10.1039/C5RA12995H","","x-ray","0.71073","MoKα","","0.0499","0.0357","","","0.0789","0.0847","","","","","","1.05","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7221893","9.3777","0.0006","9.532","0.0006","34.929","0.002","90","","90","","90","","3122.2","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C128 H168 N8 O24 S8 -","8","2","","Prasad, Chelluri Durga Durga; Verma, Ajay; Sattar, Moh; Kumar, Sangit","Silver Mediated Thio-Acetoxylation and TFA Triggered Cyclization of Amino Disulfides with Unactivated Alkenes: Synthesis of 3-Aryl/Alkyl-1,4-benzothiazines","RSC Adv.","2015","","","","","10.1039/C5RA12995H","","x-ray","0.71073","MoKα","","0.0528","0.0391","","","0.0849","0.1055","","","","","","1.072","","","","has coordinates","153670","2020-10-21","18:00:00",""
"7221894","24.996","0.005","9.4441","0.0019","14.619","0.003","90","","90","","90","","3451","1.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N4 -","- C48 H30 N4 -","- C192 H120 N16 -","4","0.5","","Wang, Kai; Wang, Shipan; Wei, Jinbei; Miao, Yang; Zhang, Zhenyu; Zhang, Zuolun; Liu, Yu; Wang, Yue","Structurally simple phenanthroimidazole-based bipolar hosts for high-performance green and red electroluminescent devices","RSC Adv.","2015","","","","","10.1039/C5RA14570H","","","0.71073","MoKα","","0.0753","0.0462","","","0.1102","0.1213","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221896","31.831","0.006","7.884","0.002","19.449","0.004","90","","107.912","0.007","90","","4644.3","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}","","- C38 H46 Cd2 N4 O13 S5 -","- C38 H40 Cd2 N4 O13 S5 -","- C152 H160 Cd8 N16 O52 S20 -","4","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1353","0.0695","","","0.1281","0.1455","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221897","10.7515","0.0007","10.7424","0.0007","11.0098","0.0008","95.683","0.002","96.94","0.002","96.596","0.002","1245.68","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO,O':kO'':kO'',O''')bis(dimethylformamide)tricadmium(II)]}","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.0193","0.0176","","","0.0425","0.0433","","","","","","1.068","","","","has coordinates","171088","2020-10-21","18:00:00",""
"7221898","6.981","0.001","26.778","0.004","13.66","0.002","90","","98.15","0.005","90","","2527.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Poly{[(mu3-4,4'-azobenzenedicarboxylate-kO:kO':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)zinc(II)]}","","- C20 H12 N5 O4 Zn -","- C20 H12 N5 O4 Zn -","- C80 H48 N20 O16 Zn4 -","4","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1002","0.0612","","","0.1436","0.156","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221899","16.945","0.005","16.958","0.005","17.88","0.005","83.348","0.007","73.542","0.007","65.791","0.007","4494","2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}","","- C60 H36 N14.5 O12 Zn3 -","- C60 H36 N14.5 O12 Zn3 -","- C120 H72 N29 O24 Zn6 -","2","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.147","0.0916","","","0.2381","0.2653","","","","","","0.888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221900","9.8655","0.0016","11.631","0.002","19.33","0.004","89.169","0.008","83.089","0.008","73.788","0.006","2113.9","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N6 S3 -","- C48 H42 N6 S3 -","- C96 H84 N12 S6 -","2","1","","Shankar, Deval sathiyashivan; Shankar, Bhaskaran; Rajakannu, Palanisamy; Vishnoi, Pratap; Masram, Dhanraj T.; Malaichamy, Sathiyendiran","Steric group enforced aromatic cyclic trimer conformer in tripodal molecules","RSC Adv.","2015","","","","","10.1039/C5RA05151G","","","0.71075","MoKα","","0.0672","0.0628","","","0.1568","0.1604","","","","","","1.011","","","","has coordinates","153719","2020-10-21","18:00:00",""
"7221901","11.0412","0.0008","14.3405","0.0014","16.4975","0.0018","108.993","0.009","107.036","0.008","99.777","0.007","2257.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H45 N9 -","- C51 H45 N9 -","- C102 H90 N18 -","2","1","","Shankar, Deval sathiyashivan; Shankar, Bhaskaran; Rajakannu, Palanisamy; Vishnoi, Pratap; Masram, Dhanraj T.; Malaichamy, Sathiyendiran","Steric group enforced aromatic cyclic trimer conformer in tripodal molecules","RSC Adv.","2015","","","","","10.1039/C5RA05151G","","","1.54184","CuKα","","0.1378","0.0653","","","0.1379","0.1835","","","","","","0.878","","","","has coordinates","153719","2020-10-21","18:00:00",""
"7221902","11.134","0.003","14.065","0.003","16.033","0.003","65.252","0.013","69.867","0.014","79.935","0.017","2139.5","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N6 O3 -","- C48 H42 N6 O3 -","- C96 H84 N12 O6 -","2","1","","Shankar, Deval sathiyashivan; Shankar, Bhaskaran; Rajakannu, Palanisamy; Vishnoi, Pratap; Masram, Dhanraj T.; Malaichamy, Sathiyendiran","Steric group enforced aromatic cyclic trimer conformer in tripodal molecules","RSC Adv.","2015","","","","","10.1039/C5RA05151G","","","0.71075","MoKα","","0.089","0.0778","","","0.2045","0.2137","","","","","","1.112","","","","has coordinates,has disorder","153719","2020-10-21","18:00:00",""
"7221903","18.9997","0.0003","14.97489","0.00018","25.4844","0.0005","90","","90","","90","","7250.8","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H60 Mo12 N12 O42 -","- C42 H52 Mo12 N12 O42 -","- C168 H208 Mo48 N48 O168 -","4","0.5","","Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei","Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA13007G","","","0.71073","MoKα","","0.0659","0.0468","","","0.0971","0.1056","","","","","","1.077","","","","has coordinates,has disorder","153720","2020-10-21","18:00:00",""
"7221904","10.638","0.0008","11.4494","0.0012","11.5486","0.0013","65.029","0.011","79.634","0.008","70.313","0.008","1199.4","0.2","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Mo2 N6 O7 Zn -","- C21 H24 Mo2 N6 O7 Zn -","- C42 H48 Mo4 N12 O14 Zn2 -","2","1","","Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei","Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA13007G","","","0.71073","MoKα","","0.0716","0.0602","","","0.2049","0.2207","","","","","","1.086","","","","has coordinates","153720","2020-10-21","18:00:00",""
"7221905","10.9486","0.0012","11.2769","0.0012","17.9528","0.0019","100.409","0.001","96.42","0.001","104.274","0.001","2084.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 Cd Mo16 N12 O58 -","- C42 H66 Cd Mo16 N12 O58 -","- C42 H66 Cd Mo16 N12 O58 -","1","0.5","","Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei","Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA13007G","","","0.71073","MoKα","","0.0328","0.027","","","0.0677","0.0715","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221906","10.7586","0.0005","11.3075","0.0004","17.967","0.0009","100.614","0.004","96.093","0.004","103.887","0.004","2059.49","0.17","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Co Mo16 N12 O58.5 -","- C42 H67 Co Mo16 N12 O58.5 -","- C42 H67 Co Mo16 N12 O58.5 -","1","0.5","","Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei","Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA13007G","","","0.71073","MoKα","","0.0437","0.0329","","","0.0648","0.0694","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221907","8.301","0.0007","8.3046","0.0007","8.9569","0.0008","66.51","0.003","65.63","0.005","76","0.002","513.61","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H11 Ga N O8 P2 -","- C4 H2 Ga N O8 P2 -","- C8 H4 Ga2 N2 O16 P4 -","2","1","","Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen","Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols","RSC Adv.","2015","","","","","10.1039/C5RA12300C","","","0.71073","MoKα","","0.0416","0.0368","","","0.0983","0.1015","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221908","8.6814","0.0007","9.2316","0.0008","9.5849","0.0003","100.27","0.003","94.6","0.004","92.96","0.006","751.72","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10.5 Ga3 N O13.25 P3 -","- C4 H10 Ga3 N O13.25 P3 -","- C8 H20 Ga6 N2 O26.5 P6 -","2","1","","Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen","Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols","RSC Adv.","2015","","","","","10.1039/C5RA12300C","","","0.71073","MoKα","","0.049","0.0452","","","0.1242","0.1266","","","","","","1.136","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221909","9.3128","0.0007","9.3227","0.0005","9.3497","0.0003","103.17","0.003","93.6","0.004","90.14","0.005","788.72","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H8.5 F Ga3 N O12.25 P3 -","- C6 H8 F Ga3 N O12.25 P3 -","- C12 H16 F2 Ga6 N2 O24.5 P6 -","2","1","","Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen","Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols","RSC Adv.","2015","","","","","10.1039/C5RA12300C","","","0.71073","MoKα","","0.0419","0.0325","","","0.0632","0.0664","","","","","","1.012","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221910","8.577","0.0005","20.476","0.0004","8.9999","0.0008","90","","111.013","0.003","90","","1475.48","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Ga2 N O12 P3 -","- C6 H9 Ga2 N O12 P3 -","- C24 H36 Ga8 N4 O48 P12 -","4","1","","Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen","Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols","RSC Adv.","2015","","","","","10.1039/C5RA12300C","","","0.71073","MoKα","","0.0649","0.0437","","","0.0806","0.0865","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221911","13.9877","0.0008","11.9198","0.0004","23.0454","0.0006","90","","104.269","0.003","90","","3723.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H30 Ga7 N4 O34 P8 -","- C10 H10 Ga7 N4 O34 P8 -","- C40 H40 Ga28 N16 O136 P32 -","4","0.5","","Wang, Guo-Ming; Li, Jinhua; Wei, Li; Zhang, Xiao; Bao, Zhenzhen","Concise template syntheses of gallium phosphates driven by in situ direct alkylation of aliphatic and aromatic precursors by methanols","RSC Adv.","2015","","","","","10.1039/C5RA12300C","","","0.71073","MoKα","","0.0627","0.0444","","","0.0752","0.0799","","","","","","1.135","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221912","15.5127","0.0013","8.2524","0.0005","17.957","0.002","90","","122.004","0.006","90","","1949.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0686","0.0402","","","0.0863","0.0951","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221913","15.518","0.0014","8.2664","0.0005","17.978","0.002","90","","121.982","0.007","90","","1956.1","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0738","0.0397","","","0.0818","0.0927","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221914","15.5225","0.0014","8.2788","0.0005","17.997","0.002","90","","121.964","0.007","90","","1962.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0786","0.0405","","","0.0814","0.0924","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221915","15.5304","0.0015","8.2953","0.0006","18.026","0.002","90","","121.942","0.008","90","","1970.6","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0868","0.0411","","","0.082","0.0956","","","","","","0.921","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221916","15.5367","0.0016","8.3081","0.0006","18.051","0.002","90","","121.906","0.008","90","","1978","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0926","0.0427","","","0.0815","0.0947","","","","","","0.888","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221917","15.5427","0.0016","8.3248","0.0006","18.084","0.002","90","","121.851","0.008","90","","1987.6","0.4","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1012","0.0427","","","0.0826","0.0983","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221918","15.5486","0.0017","8.337","0.0007","18.116","0.003","90","","121.807","0.008","90","","1995.7","0.5","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.111","0.0431","","","0.0829","0.1008","","","","","","0.863","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221919","15.5533","0.0018","8.3475","0.0007","18.151","0.003","90","","121.742","0.009","90","","2004.1","0.5","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1222","0.0449","","","0.0877","0.1081","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221921","13.895","0.003","17.084","0.003","21.297","0.004","108.753","0.003","92.788","0.003","113.849","0.003","4284.3","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 F36 La2 N8 O22 -","- C66 H58 F36 La2 N8 O22 -","- C132 H116 F72 La4 N16 O44 -","2","1","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","","0.71073","MoKα","","0.0451","0.0379","","","0.0959","0.1026","","","","","","1.031","","","","has coordinates,has disorder","153762","2020-10-21","18:00:00",""
"7221922","14.1078","0.0004","17.1982","0.0006","21.4263","0.0005","108.562","0.003","93.305","0.002","113.769","0.003","4405.4","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Ce F18 N4 O11 -","- C33 H29 Ce F18 N4 O11 -","- C132 H116 Ce4 F72 N16 O44 -","4","2","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","x-ray","1.54184","CuKα","","0.1051","0.0741","","","0.187","0.2063","","","","","","1.041","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7221923","13.9203","0.0004","17.14","0.0005","21.2848","0.0007","68.426","0.003","87.01","0.003","66.321","0.003","4297.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 F36 N8 O22 Pr2 -","- C66 H58 F36 N8 O22 Pr2 -","- C132 H116 F72 N16 O44 Pr4 -","2","1","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","x-ray","1.54184","CuKα","","0.0458","0.0411","","","0.1025","0.1074","","","","","","1.042","","","","has coordinates,has disorder","153762","2020-10-21","18:00:00",""
"7221924","29.7235","0.001","12.689","0.0003","23.878","0.0007","90","","108.287","0.003","90","","8551","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 F36 Gd2 N8 O22 -","- C66 H58 F36 Gd2 N8 O22 -","- C264 H232 F144 Gd8 N32 O88 -","4","1","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","x-ray","1.54184","CuKα","","0.1185","0.0732","","","0.1785","0.2168","","","","","","1.023","","","","has coordinates,has disorder","153762","2020-10-21","18:00:00",""
"7221925","29.764","0.0016","12.6516","0.0006","23.9061","0.0012","90","","108.037","0.001","90","","8559.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 F36 N8 O22 Tb2 -","- C66 H58 F36 N8 O22 Tb2 -","- C264 H232 F144 N32 O88 Tb8 -","4","1","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","","0.71073","MoKα","","0.056","0.0436","","","0.0909","0.0979","","","","","","1.105","","","","has coordinates,has disorder","153762","2020-10-21","18:00:00",""
"7221926","29.6112","0.0012","12.6818","0.0005","23.9558","0.001","90","","107.28","0.001","90","","8589.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Dy2 F36 N8 O22 -","- C66 H58 Dy2 F36 N8 O22 -","- C264 H232 Dy8 F144 N32 O88 -","4","1","","Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang","A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties","RSC Adv.","2015","","","","","10.1039/C5RA13386F","","","0.71073","MoKα","","0.0599","0.0448","","","0.0953","0.1036","","","","","","1.028","","","","has coordinates,has disorder","153762","2020-10-21","18:00:00",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","171094","2020-10-21","18:00:00",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221933","7.6369","0.0003","9.8408","0.0004","28.3369","0.0012","90","","90","","90","","2129.61","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","","Zhang, Jianlong; Chen, Zhi-Hua; Xu, Jun; Li, Juan; Tan, Ya-Fang; Zhou, Ju-Hua; Ye, Wen-Cai; Tian, Hai-Yan; Jiang, Renwang","New structures, chemotaxonomic significance and COX-2 inhibitory activities of cassane-type diterpenoids from the seeds of Caesalpinia minax","RSC Adv.","2015","","","","","10.1039/C5RA14221K","","","1.54184","CuKα","","0.037","0.0335","","","0.0853","0.0891","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221934","6.7833","0.0005","12.2913","0.0007","14.6874","0.0007","90","","101.192","0.005","90","","1201.28","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O9 -","- C24 H36 O9 -","- C48 H72 O18 -","2","1","","Zhang, Jianlong; Chen, Zhi-Hua; Xu, Jun; Li, Juan; Tan, Ya-Fang; Zhou, Ju-Hua; Ye, Wen-Cai; Tian, Hai-Yan; Jiang, Renwang","New structures, chemotaxonomic significance and COX-2 inhibitory activities of cassane-type diterpenoids from the seeds of Caesalpinia minax","RSC Adv.","2015","","","","","10.1039/C5RA14221K","","","1.54184","CuKα","","0.0507","0.0433","","","0.1198","0.1448","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221935","9.759","0.0003","10.0001","0.0003","10.2662","0.0004","107.921","0.002","100.656","0.002","104.952","0.002","882.11","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 B N O2 -","- C21 H20 B N O2 -","- C42 H40 B2 N2 O4 -","2","1","","A. D. Neto, Brenno; Souza, Roberto; Bataglion, Giovana A.; Ferreira, Davi A. C.; Gatto, Claudia C.; Eberlin, Marcos N.","Insights on the Petasis Borono-Mannich Multicomponent Reaction Mechanism","RSC Adv.","2015","","","","","10.1039/C5RA16678K","","x-ray","0.71073","MoKα","","0.1106","0.0536","","","0.1258","0.1536","","","","","","1.038","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221936","12.6842","0.0005","20.3035","0.0008","8.2806","0.0003","90","","99.772","0.002","90","","2101.59","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(S)-ethyl 1-oxo-2-phenethyl-3-thioxo-1,2,3,7,12,12a-hexahydroimidazo[1',5':1,7]azepino[4,5-b]indole-6-carboxylate","","- C25 H23 N3 O3 S -","- C25 H23 N3 O3 S -","- C100 H92 N12 O12 S4 -","4","1","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","0.71073","MoKα","","0.055","0.0397","","","0.1212","0.1514","","","","","","1.157","","","","has coordinates","153788","2020-10-21","18:00:00",""
"7221937","6.654","0.0003","12.6487","0.0007","23.3926","0.0013","90","","97.152","0.003","90","","1953.51","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(S)-ethyl 2-(4-chlorophenyl)-1,3-dioxo-1,2,3,7,12,12a-hexahydroimidazo[1',5':1,7]azepino[4,5-b]indole-6-carboxylate","PD-N4-17","","- C23 H16 Cl N3 O4 -","- C23 H16 Cl N3 O4 -","- C92 H64 Cl4 N12 O16 -","4","1","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","1.54178","CuKα","","0.1359","0.0852","","","0.2415","0.2862","","","","","","1.132","","","","has coordinates","153788","2020-10-21","18:00:00",""
"7221938","7.9602","0.0007","8.6689","0.0007","11.7774","0.0011","94.238","0.005","97.302","0.006","96.834","0.005","797.12","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","(S)-5-ethyl 2-methyl 1, 2, 3, 6 -tetrahydroazepino[4,5-b]indole-2,5-dicarboxylate","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","2","","Barve, Indrajeet J.; Dalvi, Prashant B.; Thikekar, Tushar Ulhas; Chanda, Kaushik; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Design, synthesis and diversification of natural product-inspired hydantoin-fused tetrahydroazepino indoles","RSC Adv.","2015","5","89","73169","","10.1039/C5RA12063B","","","1.54178","CuKα","","0.0779","0.0744","","","0.1953","0.2031","","","","","","1.096","","","","has coordinates","153788","2020-10-21","18:00:00",""
"7221939","15.802","0.003","7.0481","0.0016","19.53","0.004","90","","96.341","0.01","90","","2161.8","0.8","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H12 F6 N2 O6 -","- C25 H12 F6 N2 O6 -","- C100 H48 F24 N8 O24 -","4","1","","Wu, Jingbo; XI, YANG; McCandless, Gregory T.; Kulikov, Oleg V.; menon, remya; Novak, Bruce M.","Synthesis and Characterization of a Novel Fluorinated Bismaleimide via a Nucleophilic Addition-Elimination Reaction and its Polymeric Networks","RSC Adv.","2015","","","","","10.1039/C5RA13771C","","","0.71073","MoKα","","0.0913","0.0599","","","0.1198","0.1333","","","","","","1.025","","","","has coordinates","153789","2020-10-21","18:00:00",""
"7221940","6.94901","0.00031","5.59224","0.00027","9.46525","0.00043","90","","90","","90","","367.82","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.4 Ca3.8 Ce0.2 Li0.2 O16 Si3.6 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.73","1.21","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221941","6.95269","0.00033","5.58722","0.00028","9.45515","0.00045","90","","90","","90","","367.3","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.04 Ca3.8 Ce0.2 Li0.2 O16 Si3.96 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.44","1.337","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221942","6.95409","0.00035","5.58264","0.00029","9.45199","0.00048","90","","90","","90","","366.95","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","1","0.125","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.464","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221943","20.4644","0.002","9.31815","0.00087","5.54812","0.0005","90","","90","","90","","1057.97","0.17","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ca19.81 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.75","1.256","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221944","20.5411","0.0023","9.34901","0.00088","5.55337","0.00054","90","","90","","90","","1066.46","0.19","300","","300","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.8","1.443","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221946","9.65081","0.00023","3.21627","0.000077","11.30393","0.00032","90","","90","","90","","350.87","0.015","300","","300","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","- Ca4 Ho0.02 In7.4 O16 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.06","1.929","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221947","9.67494","0.00049","3.22534","0.00017","11.33068","0.0005","90","","90","","90","","353.57","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","- Ca3.6 Ho0.02 In7.4 O16 Sr0.4 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.13","1.803","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221948","9.7188","0.0012","3.23908","0.00038","11.3825","0.0014","90","","90","","90","","358.32","0.08","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","- Ca2.8 Ho0.02 In7.4 O16 Sr1.2 Yb0.4 -","1","0.125","","Ming Guan; Hong Zheng; Zhaohui Huang; Bin Ma; Maxim S. Molokeev; Saifang Huang; Lefu Mei","Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4: Yb3+/Ho3+ phosphors","RSC Advances","2015","5","73","59403","59407","10.1039/C5RA08467A","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.98","1.706","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221949","33.842","0.003","8.1803","0.0009","15.5183","0.0015","90","","111.285","0.011","90","","4003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1157","0.0704","","","0.1893","0.2301","","","","","","1.025","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221950","33.698","0.002","8.1286","0.0006","15.4818","0.0009","90","","111.393","0.007","90","","3948.6","0.5","250","1","250","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.085","0.0556","","","0.1533","0.1709","","","","","","1.108","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221951","8.291","0.005","15.44","0.005","16.932","0.005","67.702","0.005","77.616","0.005","89.556","0.005","1952.3","1.5","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1351","0.0994","","","0.2773","0.3061","","","","","","1.055","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221952","8.1589","0.001","15.3909","0.0013","16.8655","0.0018","67.525","0.009","78.145","0.01","89.508","0.009","1909.5","0.4","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1232","0.0997","","","0.2765","0.2935","","","","","","1.052","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221954","15.228","0.0008","14.2504","0.0008","11.8362","0.0006","90","","110.265","0.001","90","","2409.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0424","0.0355","","","0.0926","0.098","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221955","12.7933","0.0006","13.4321","0.0007","15.0676","0.0008","107.118","0.001","91.053","0.001","93.358","0.001","2468.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","2","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0772","0.062","","","0.1591","0.1694","","","","","","1.021","","","","has coordinates,has disorder","171027","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221957","29.902","0.004","7.6059","0.0011","28.606","0.005","90","","110.776","0.003","90","","6082.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B F4 Fe2 N O -","- C34 H32 B F4 Fe2 N O -","- C272 H256 B8 F32 Fe16 N8 O8 -","8","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0923","0.0663","","","0.162","0.1765","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221967","9.37131","0.00017","25.5346","0.0004","13.2574","0.0002","90","","90","","90","","3172.4","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N4 O6 -","- C33 H46 N4 O6 -","- C132 H184 N16 O24 -","4","1","","Sarkar, Rajib; Debnath, Mintu; Maji, Krishnendu; HALDAR, DEBASISH","Solvent assisted structural diversity: supramolecular sheet and double helix of a short aromatic γ-peptide","RSC Adv.","2015","","","","","10.1039/C5RA12831E","","x-ray","0.71073","MoKα","","0.0409","0.0383","","","0.1066","0.1085","","","","","","0.941","","","","has coordinates","153865","2020-10-21","18:00:00",""
"7221968","11.1624","0.0009","21.9285","0.0018","12.3607","0.0008","90","","95.498","0.002","90","","3011.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N3 O8 S2 -","- C30 H29 N3 O8 S2 -","- C120 H116 N12 O32 S8 -","4","1","","Zhang, Li-Dan; Qiu, Jiang-Kai; Kong, Li-Fang; Hao, Wen-Juan; Miao, Jiao-Na; Wu, Shuo; Jiang, Bo; Tu, Shu-Jiang","Cs2CO3-promoted [3+2] cycloaddition providing an easy protocol toward imidazo[1,2-a]indole derivatives","RSC Adv.","2015","","","","","10.1039/C5RA13319J","","","1.54178","CuKα","","0.1795","0.0677","","","0.0859","0.1211","","","","","","0.919","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221969","10.7575","0.0004","15.318","0.0006","29.3906","0.0013","81.112","0.001","87.711","0.001","84.536","0.001","4761.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H86 N20 O18 Zn4 -","- C94 H86 N20 O18 Zn4 -","- C188 H172 N40 O36 Zn8 -","2","1","","Chadar, Dattatray; Rao, Soniya S.; Gejji, Shridhar P.; Ugale, Bharat Pandurangrao; Nagaraja, C. M.; Nikalje, Milind D.; Salunke-Gawali, Sunita","Regioselective Synthesis of Vitamin K3 Based Dihydrobenzophenazine Derivative: Their Novel Crystal Structure and DFT Studies","RSC Adv.","2015","","","","","10.1039/C5RA13169C","","","0.71073","MoKα","","0.1001","0.0525","","","0.1147","0.1337","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221970","11.1825","0.001","9.7365","0.0013","27.817","0.004","90","","94.452","0.01","90","","3019.5","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 B F2 N8 -","- C31 H37 B F2 N8 -","- C124 H148 B4 F8 N32 -","4","1","","Guérin, Charles; Jean-Gérard, Ludivine; Octobre, Guillaume G.; Pascal, Simon; Maury, Olivier; pilet, guillaume; Ledoux, Audrey; Andrioletti, Bruno","Bis-triazolyl BODIPYs: a simple dye with strong red-light emission","RSC Adv.","2015","","","","","10.1039/C5RA14309H","","","0.71069","MoKα","","0.1582","0.0901","","0.1026","0.0854","0.0839","","","","","","1.0809","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221971","14.052","0.002","32.528","0.003","17.992","0.002","90","","103.462","0.002","90","","7997.9","1.6","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H118 Bi2 Cu7 N28 Na4 O97 W18 -","- C42 H50.8 Bi2 Cu7 N28 Na3 O84.66 W18 -","- C84 H101.6 Bi4 Cu14 N56 Na6 O169.32 W36 -","2","0.5","","Chai, Dong-Feng; Ma, Zhuo; Yan, Hong; Qiu, Yunfeng; Liu, Hong; Guo, Huadong; Gao, Guang-Gang","Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole Complexes for Enhancing Peroxidase-like Activity","RSC Adv.","2015","","","","","10.1039/C5RA13265G","","","0.71073","MoKα","","0.1305","0.0577","","","0.0888","0.099","","","","","","0.99","","","","has coordinates,has disorder","153869","2020-10-21","18:00:00",""
"7221972","14.051","0.0013","32.53","0.003","17.9902","0.0017","90","","103.461","0.001","90","","7997","1.3","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C42 H112 Cu7 N28 Na4 O94 Sb2 W18 -","- C42 H54 Cu7 N28 Na3 O87 Sb2 W18 -","- C84 H108 Cu14 N56 Na6 O174 Sb4 W36 -","2","0.5","","Chai, Dong-Feng; Ma, Zhuo; Yan, Hong; Qiu, Yunfeng; Liu, Hong; Guo, Huadong; Gao, Guang-Gang","Synergistic Effect of Sandwich Polyoxometalates and Copper-Imidazole Complexes for Enhancing Peroxidase-like Activity","RSC Adv.","2015","","","","","10.1039/C5RA13265G","","","0.71073","MoKα","","0.0963","0.0478","","","0.0753","0.0826","","","","","","0.998","","","","has coordinates,has disorder","153869","2020-10-21","18:00:00",""
"7221973","7.6584","0.0007","10.2121","0.0008","13.1295","0.0011","108.228","0.006","97.789","0.007","92.502","0.007","962.26","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O S -","- C21 H28 N2 O S -","- C42 H56 N4 O2 S2 -","2","1","","Saeed, Aamer; Bolte, Michael; Erben, Mauricio F.; Pérez, Hiram","Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis","CrystEngComm","2015","17","39","7551","","10.1039/C5CE01373A","","","0.71073","MoKα","","0.0434","0.0409","","","0.1064","0.1084","","","","","","1.054","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221979","10.1308","0.0014","10.1837","0.0013","13.2866","0.0018","94.706","0.011","104.718","0.011","117.139","0.01","1148.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6'-(4-methoxyphenyl)-7'-nitro-3',6',7',7a'-tetrahydro-1'H-spiro[indeno[1,2-b]quinoxaline-11,5'-pyrrolo[1,2-c]thiazole]","","- C27 H22 N4 O3 S -","- C27 H22 N4 O3 S -","- C54 H44 N8 O6 S2 -","2","1","","Hamzehloueian, Mahshid; Sarrafi, Yaghoub; Aghaei, Zahra","An experimental and theoretical study on the regioselective synthesis of a new class of spiropyrrolothiazoles with quinoxalines motifs via 1,3-dipolar cycloaddition reaction. An evaluation of DFT methods","RSC Adv.","2015","","","","","10.1039/C5RA14071D","","","0.71073","MoKα","","0.0739","0.0441","","","0.1081","0.1166","","","","","","0.968","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221980","8.826","0.0009","16.2679","0.0017","16.3883","0.0017","90","","90","","90","","2353","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O5 -","- C24 H24 Br N3 O5 -","- C96 H96 Br4 N12 O20 -","4","1","","Zhao, Mei-Xin; Jing, Lei; Zhou, Hao; Shi, Min","Cinchona Alkaloid Thiourea Mediated Asymmetric Mannich Reaction of Isocyanoacetates with Isatin-Derived Ketimines and Subsequent Cyclization: Enantioselective Synthesis of Spirooxindole Imidazolines","RSC Adv.","2015","","","","","10.1039/C5RA17075C","","","0.71073","MoKα","","0.0747","0.0508","","","0.1121","0.1221","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221981","9.5","0.001","14.8773","0.0016","19.875","0.002","90","","90","","90","","2809","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-Methyl 2-((R)-5-bromo-3-((tert-butoxycarbonyl)amino)-1-methyl-2-oxoindolin-3-yl)-2- isocyano-2-phenylacetate","","- C25 H26 Br Cl2 N3 O5 -","- C25 H26 Br Cl2 N3 O5 -","- C100 H104 Br4 Cl8 N12 O20 -","4","1","","Zhao, Mei-Xin; Jing, Lei; Zhou, Hao; Shi, Min","Cinchona Alkaloid Thiourea Mediated Asymmetric Mannich Reaction of Isocyanoacetates with Isatin-Derived Ketimines and Subsequent Cyclization: Enantioselective Synthesis of Spirooxindole Imidazolines","RSC Adv.","2015","","","","","10.1039/C5RA17075C","","","0.71073","MoKα","","0.0714","0.0599","","","0.1654","0.1774","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221982","39.0382","0.0014","9.2229","0.0003","20.9573","0.0008","90","","90","","90","","7545.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H34 Ir N3 O5 -","- C43 H34 Ir N3 O5 -","- C344 H272 Ir8 N24 O40 -","8","2","","Maity, Amit; Sarkar, Rupa; Rajak, Kajal Krishna","Heteroleptic Iridium (III) complexes bearing coumarine moiety: an experimental and theoretical investigation†","RSC Adv.","2015","","","","","10.1039/C5RA08349D","","","0.71073","MoKα","","0.1036","0.0659","","","0.1532","0.1753","","","","","","1.034","","","","has coordinates","153913","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221989","12.101","0.002","18.624","0.004","22.956","0.005","104.53","0.03","97.88","0.03","107.7","0.03","4642","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- Cu2 Dy2 H50 K3 Na5 O91 Sb2 W18 -","- Cu2 Dy2 K3 Na5 O91 Sb2 W18 -","- Cu4 Dy4 K6 Na10 O182 Sb4 W36 -","2","1","","Yao, shuang; Yan, Jinghui; Duan, Hui; Jia, Qianqian; Zhang, Zhi-Ming; Wang, Enbo","Heterometallic 3d-4f Cluster-Containing Polyoxotungstate Obtained by Partial Disassembly of Preformed Large Clusters","RSC Adv.","2015","","","","","10.1039/C5RA16325K","","","0.71073","MoKα","","0.1097","0.0689","","","0.1464","0.1696","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221991","26.0119","0.0001","26.0119","0.0001","26.0119","0.0001","90","","90","","90","","17600.1","0.12","293","2","293","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C162 H98 O58 Zn9 -","- C162 H71.4 O58 Zn9 -","- C648 H285.6 O232 Zn36 -","4","0.166667","","Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang","Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas","CrystEngComm","2015","17","43","8221","","10.1039/C5CE01320H","","","1.54178","CuKα","","0.1165","0.076","","","0.2333","0.2652","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221992","15.103","0.0007","3.913","0.0003","23.4694","0.0012","90","","101.363","0.009","90","","1359.81","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0339","0.0333","","","0.091","0.092","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221993","15.7972","0.0007","9.2961","0.0004","21.2681","0.001","90","","106.516","0.002","90","","2994.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride hemihydrate","","- C30 H26 Cl2 N10 O5 -","- C30 H26 Cl2 N10 O5 -","- C120 H104 Cl8 N40 O20 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0459","0.0452","","","0.1265","0.1271","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221994","7.6745","0.0005","12.8403","0.0011","12.6474","0.0011","90","","91.174","0.006","90","","1246.05","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0309","0.0304","","","0.0803","0.0808","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221995","7.9151","0.0008","14.3022","0.0011","12.8292","0.0009","90","","105.157","0.009","90","","1401.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride","","- C15 H12 Cl N5 O2 -","- C15 H12 Cl N5 O2 -","- C60 H48 Cl4 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0255","0.0254","","","0.0715","0.0716","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221996","14.1361","0.0009","3.7858","0.0003","24.2876","0.0015","90","","94.009","0.006","90","","1296.61","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0363","0.0328","","","0.0891","0.0929","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221997","7.6948","0.0008","7.7883","0.0008","23.7516","0.0019","85.64","0.004","84.706","0.005","61.897","0.004","1249.4","0.2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","3-(3-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","2","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0932","0.0689","","","0.1906","0.2052","","","","","","1.063","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7221998","6.8464","0.0007","13.9346","0.0011","16.3696","0.0014","90","","95.459","0.007","90","","1554.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C31 H28 Cl2 N10 O5 -","- C31 H28 Cl2 N10 O5 -","- C62 H56 Cl4 N20 O10 -","2","0.5","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0278","0.0278","","","0.0748","0.0748","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221999","14.9193","0.0004","3.8014","0.0001","23.8964","0.0007","90","","107.195","0.001","90","","1294.69","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0351","0.033","","","0.0957","0.0979","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222000","7.0341","0.0009","7.376","0.0009","12.4146","0.0011","79.762","0.006","79.663","0.009","78.553","0.009","614.27","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C30 H18 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0381","0.0357","","","0.0978","0.1017","","","","","","1.074","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222001","7.7747","0.0005","9.9551","0.0006","12.0764","0.0009","99.836","0.004","102.862","0.004","91.51","0.005","895.82","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C36 H36 Cl2 N10 O6 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0283","0.0283","","","0.079","0.079","","","","","","1.058","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222002","6.9683","0.0012","7.625","0.0017","14.408","0.003","75.576","0.014","87.07","0.02","68.757","0.017","690.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-[2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-a]phthalazine","","- C17 H11 N5 O2 -","- C17 H11 N5 O2 -","- C34 H22 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0362","0.0348","","","0.0959","0.0991","","","","","","1.056","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222004","12.7373","0.0009","4.8963","0.0005","22.33","0.0016","90","","95.249","0.009","90","","1386.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0329","0.0315","","","0.086","0.0874","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222005","10.636","0.0003","4.7798","0.0001","23.0987","0.0009","90","","96.131","0.002","90","","1167.57","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-bipyridyl","","","- C30 H20 N2 O6 -","- C30 H20 N2 O6 -","- C60 H40 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0634","0.039","","","0.092","0.096","","","","","","0.905","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222006","3.8157","0.0001","28.0772","0.0007","11.2326","0.0003","90","","96.542","0.002","90","","1195.56","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-ethylenebipyridine","","","- C32 H22 N2 O6 -","- C32 H22 N2 O6 -","- C64 H44 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.1185","0.0578","","","0.1227","0.1408","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222008","13.6937","0.0012","5.1534","0.0003","17.5288","0.0012","90","","92.329","0.007","90","","1235.97","0.16","299.3","0.6","299.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-hydroxypyridine","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0748","0.0445","","","0.1047","0.1242","","","","","","1.014","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222009","12.2726","0.0017","15.102","0.002","15.213","0.002","90.795","0.002","101.799","0.002","93.906","0.002","2752.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H48 N6 O5 -","- C70 H48 N6 O5 -","- C140 H96 N12 O10 -","2","1","","Wang, Zhen; Cheng, Hong; Zhai, Tian-Long; Meng, Xianggao; Zhang, Chun","Altering Synthetic Fragments to Tune the AIE Properties and Self-assemble Grid-like Structures of TPE-based Oxacalixarenes","RSC Adv.","2015","","","","","10.1039/C5RA15214C","","","0.71073","MoKα","","0.0988","0.0527","","","0.1335","0.1651","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222010","14.4472","0.0019","14.816","0.002","17.342","0.002","86.48","0.002","68.308","0.002","66.251","0.002","3140.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H61 Cl N4 O14 -","- C72.5 H61 Cl N4 O14 -","- C145 H122 Cl2 N8 O28 -","2","1","","Wang, Zhen; Cheng, Hong; Zhai, Tian-Long; Meng, Xianggao; Zhang, Chun","Altering Synthetic Fragments to Tune the AIE Properties and Self-assemble Grid-like Structures of TPE-based Oxacalixarenes","RSC Adv.","2015","","","","","10.1039/C5RA15214C","","","0.71073","MoKα","","0.0887","0.0601","","","0.1585","0.1829","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222011","9.2348","0.0005","10.1529","0.0005","15.3801","0.001","97.685","0.004","90.359","0.004","110.319","0.004","1338","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","pdsash","pdsash","","- C32 H25 N2 O3 P Pd -","- C32 H25 N2 O3 P Pd -","- C64 H50 N4 O6 P2 Pd2 -","2","1","","ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj","ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA15342E","","","0.71073","MoKα","","0.0559","0.0413","","","0.0917","0.0978","","","","","","1.051","","","","has coordinates","154311","2020-10-21","18:00:00",""
"7222012","8.8683","0.0004","21.5484","0.001","15.2026","0.0007","90","","96.079","0.003","90","","2888.8","0.2","130","2","130","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","pdsnah","pdsnah","","- C36 H27 N2 O3 P Pd -","- C36 H27 N2 O3 P Pd -","- C144 H108 N8 O12 P4 Pd4 -","4","1","","ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj","ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA15342E","","","0.71073","MoKα","","0.1147","0.0585","","","0.1137","0.131","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222013","11.0075","0.0005","28.2609","0.0012","8.8037","0.0004","90","","92.227","0.002","90","","2736.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pdmssh","pdmssh","","- C33 H27 N2 O4 P Pd -","- C33 H27 N2 O4 P Pd -","- C132 H108 N8 O16 P4 Pd4 -","4","1","","ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj","ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA15342E","","","0.71073","MoKα","","0.0301","0.0286","","","0.0642","0.065","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222014","15.087","0.002","21.144","0.003","9.3879","0.0015","90","","94.528","0.008","90","","2985.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pdmsna","pdmsna","","- C37 H29 N2 O4 P Pd -","- C37 H29 N2 O4 P Pd -","- C148 H116 N8 O16 P4 Pd4 -","4","1","","ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj","ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA15342E","","","0.71073","MoKα","","0.0964","0.0568","","","0.1004","0.1155","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222015","11.3834","0.0014","12.9542","0.0016","26.397","0.003","90","","90","","90","","3892.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C192 H144 N16 O24 S8 -","8","1","","Huang, Zhi-You; Yang, Jing-Fang; Chen, Qian; Cao, Run-Jie; Huang, Wei; Hao, Ge-Fei; Yang, Guang-Fu","An efficient one-pot access to N-(pyridin-2-ylmethyl) substituent biphenyl-4-sulfonamides through water-promoted, palladium-catalyzed, microwave-assisted reactions","RSC Adv.","2015","5","92","75182","","10.1039/C5RA13302E","","","0.71073","MoKα","","0.0549","0.0423","","","0.1213","0.1341","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222016","35.83","0.007","12.211","0.002","6.5889","0.0013","90","","90","","90","","2882.8","0.9","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H40 B10 O2 Si2 -","- C22 H40 B10 O2 Si2 -","- C88 H160 B40 O8 Si8 -","4","1","","Han, Xiaojie; Fei, Huafeng; Liu, Bozheng; Tan, Yongxia; Zhang, Xuezhong; Xie, Zemin; Zhang, Zhijie","High-yielding and Facile Synthesis of Organosilicon Compounds containing m-Carboranylmethyl Group","RSC Adv.","2015","","","","","10.1039/C5RA13344K","","","0.71073","MoKα","","0.0491","0.0457","","","0.0993","0.1019","","","","","","1.063","","","","has coordinates","154313","2020-10-21","18:00:00",""
"7222017","7.1014","0.0018","11.404","0.003","12.182","0.004","108.715","0.003","96.432","0.004","94.36","0.003","921.9","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H28 B10 O2 Si2 -","- C8 H28 B10 O2 Si2 -","- C16 H56 B20 O4 Si4 -","2","1","","Han, Xiaojie; Fei, Huafeng; Liu, Bozheng; Tan, Yongxia; Zhang, Xuezhong; Xie, Zemin; Zhang, Zhijie","High-yielding and Facile Synthesis of Organosilicon Compounds containing m-Carboranylmethyl Group","RSC Adv.","2015","","","","","10.1039/C5RA13344K","","","0.71073","MoKα","","0.0404","0.0389","","","0.1072","0.1084","","","","","","1.08","","","","has coordinates","154313","2020-10-21","18:00:00",""
"7222018","10.029","0.005","12.96","0.006","21.156","0.008","90","","115.278","0.018","90","","2486","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O3 S -","- C30 H27 N3 O3 S -","- C120 H108 N12 O12 S4 -","4","1","","Wang, Jian; chen, lei; yang, gongming; jia, qianfa; wei, jia; Du, Zhiyun","Efficient [4+3] Cycloaddition Reaction of aza-o-Quinodimethanes with C,N-cyclic Azomethine Imines: Stereoselective Synthesis of 1,2,4-Triazepines","RSC Adv.","2015","","","","","10.1039/C5RA15903B","","","0.71073","MoKα","","0.052","0.0382","","","0.0997","0.1094","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222020","8.494","0.0009","31.934","0.004","10.1921","0.0011","90","","106.524","0.002","90","","2650.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O8 S Zn -","- C26 H18 N4 O8 S Zn -","- C104 H72 N16 O32 S4 Zn4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0666","0.0476","","","0.1281","0.1409","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222021","9.8185","0.0007","11.7979","0.0008","12.0667","0.0008","92.113","0.001","96.599","0.001","103.681","0.001","1346.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0482","0.0379","","","0.1084","0.1243","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222022","9.796","0.002","12.414","0.003","12.664","0.003","87.546","0.004","89.132","0.004","84.732","0.004","1532","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0724","0.0432","","","0.1095","0.1372","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222023","24.0679","0.0011","17.2213","0.0007","14.2795","0.0006","90","","90.854","0.001","90","","5917.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N4 O8 S Zn -","- C32 H22 N4 O8 S Zn -","- C256 H176 N32 O64 S8 Zn8 -","8","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0719","0.0418","","","0.1129","0.1414","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222024","14.2687","0.0007","15.7567","0.0007","16.2206","0.0007","67.915","0.001","79.632","0.001","73.899","0.001","3234.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 N8 O21 S4 Zn2 -","- C64 H48 N8 O21 S4 Zn2 -","- C128 H96 N16 O42 S8 Zn4 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0651","0.0434","","","0.1198","0.1359","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222025","22.7246","0.0008","18.9485","0.0007","13.5373","0.0005","90","","93.8","0.001","90","","5816.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd2 N8 O15 S2 -","- C64 H44 Cd2 N8 O15 S2 -","- C256 H176 Cd8 N32 O60 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.054","0.0392","","","0.1183","0.141","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222026","20.327","0.009","10.439","0.005","28.387","0.012","90","","103.948","0.008","90","","5846","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cd2 N8 O16 S2 -","- C60 H40 Cd2 N8 O16 S2 -","- C240 H160 Cd8 N32 O64 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0814","0.0441","","","0.1138","0.1396","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222027","10.8259","0.0006","19.6449","0.001","16.287","0.0009","90","","90.987","0.001","90","","3463.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cd N5 O8 S -","- C33 H27 Cd N5 O8 S -","- C132 H108 Cd4 N20 O32 S4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0628","0.04","","","0.1065","0.122","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222028","6.0695","0.0004","8.3911","0.0007","26.115","0.006","89.456","0.012","84.079","0.012","76.113","0.006","1284.1","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.1794","0.0858","","","0.1863","0.237","","","","","","1.02","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222029","6.0634","0.0005","8.424","0.0008","26.071","0.006","89.426","0.014","83.996","0.013","76.122","0.008","1285.5","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.803 N O3 -","- C60 H73.606 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2094","0.0987","","","0.2188","0.2827","","","","","","1.05","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222030","6.0554","0.0004","8.459","0.0004","25.964","0.006","89.446","0.009","83.899","0.011","76.113","0.005","1283.6","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.711 N O3 -","- C60 H73.422 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2241","0.1087","","","0.2639","0.3392","","","","","","1.048","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222031","6.0463","0.0007","8.5062","0.0007","25.806","0.007","89.348","0.014","83.848","0.017","76.058","0.009","1280.6","0.4","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.62 N O3 -","- C60 H73.24 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2813","0.1244","","","0.2994","0.3968","","","","","","1.127","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222032","6.035","0.0015","8.5245","0.0015","25.662","0.009","89.33","0.03","84.02","0.04","76.051","0.018","1274.2","0.6","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.59 N O3 -","- C60 H73.18 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2888","0.1362","","","0.3416","0.426","","","","","","1.214","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222033","5.8708","0.001","8.2465","0.0009","25.906","0.009","90.242","0.018","83.83","0.03","75.925","0.012","1208.9","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2353","0.1118","","","0.2701","0.3629","","","","","","1.023","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222034","5.8654","0.0012","8.2731","0.001","25.827","0.009","90.2","0.019","83.68","0.03","75.915","0.015","1207.6","0.5","299","2","299","2","","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.83 N O3 -","- C60 H73.66 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2835","0.1415","","","0.324","0.4244","","","","","","1.234","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222035","5.8605","0.0014","8.2848","0.001","25.791","0.009","90.17","0.02","83.63","0.04","75.954","0.016","1206.7","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.78 N O3 -","- C60 H73.56 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.299","0.1408","","","0.3361","0.4385","","","","","","1.223","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222036","8.924","0.003","10.108","0.003","14.354","0.005","91.53","0.03","103.39","0.03","100.48","0.03","1235.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 Co N6 O2 -","- C26 H23 Cl2 Co N6 O2 -","- C52 H46 Cl4 Co2 N12 O4 -","2","1","","Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz","Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface.","Physical chemistry chemical physics : PCCP","2015","17","48","32161","32172","10.1039/c5cp04695e","","","0.71073","MoKα","","0.0876","0.0501","","","0.1062","0.1141","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222037","18.639","0.004","18.639","0.004","38.614","0.006","90","","90","","120","","11618","4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","ZJU-8","","- C22 H8 Cu2 N O10 -","- C22 H8 Cu2 N O10 -","- C198 H72 Cu18 N9 O90 -","9","0.25","","Cai, Jianfeng; Wang, Huizhen; Wang, Hailong; Duan, Xing; Wang, Zhiyu; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","An Amino-Decorated NbO-Type Metal-Organic Framework for High C2H2 Storage and Selective CO2 Capture","RSC Adv.","2015","","","","","10.1039/C5RA12700A","","","0.71073","MoKα","","0.076","0.0451","","","0.1222","0.1374","","","","","","1.025","","","","has coordinates","155198","2020-10-21","18:00:00",""
"7222038","8.5829","0.0004","9.4856","0.0004","10.9694","0.0005","95.951","0.004","111.779","0.004","113.352","0.004","727.71","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","hexaphenyldisiloxane","di(triphenylsilane)ether","","- C36 H30 O Si2 -","- C36 H30 O Si2 -","- C36 H30 O Si2 -","1","0.5","","Percino, M. Judith; Pacheco, José Alberto; Soriano, Guillermo; Ceron, Margarita; Castro, María Eugenia; Chapela, Víctor M.; bonilla-cruz, jose; Lara, Tania; Flores, Mildred; Saldivar, Enrique","Synthesis, characterization and theoretical calculations of model compounds of silanols catalyzed by TEMPO to elucidate the presence of Si-O-Si and Si-O-N bonds.","RSC Adv.","2015","","","","","10.1039/C5RA10056A","","","1.54178","CuKα","","0.0328","0.0318","","","0.0821","0.0828","","","","","","1.046","","","","has coordinates","155199","2020-10-21","18:00:00",""
"7222039","10.561","0.002","10.773","0.002","14.329","0.003","79.82","0.03","88.35","0.03","63.18","0.03","1429.6","0.6","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H40 Br2 N2 Ni O -","- C29 H40 Br2 N2 Ni O -","- C58 H80 Br4 N4 Ni2 O2 -","2","1","","Sun, Zelin; Huang, Fang; Qu, Mengnan Z.; Yue, Erlin; Oleynik, Irina; Oleynik, Ivan; Zemg, Yanning; Liang, Tongling; Li, Kanshe; Zhang, Wenjuan; Sun, Wen Hua","Targeting polyethylene waxes: 9-(2-Cycloalkylphenylimino)-5,6,7,8-tetrahydrocycloheptapyridylnickel halides and their ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA15806K","","","0.71073","MoKα","","","0.0556","","","0.1474","0.1549","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222040","19.7074","0.0007","4.4839","0.0002","12.7541","0.0005","90","","107.994","0.002","90","","1071.9","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","","Borah, Suchibrata; Das, Bhrigu Phukan; Konwar, Gayatri; Mahanta, Sanjeev Pran; Gogoi, Nayanmoni","Phenolic oxime based receptors for selective detection of fluoride","RSC Adv.","2015","5","92","75187","","10.1039/C5RA15460J","","","0.71073","MoKα","","0.0711","0.06","","","0.1769","0.189","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222041","11.7172","0.0019","9.2242","0.0017","13.153","0.002","90","","93.15","0.016","90","","1419.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4-Bromothenyl)(4-Methyl-4H-Benzo(b)(1,4)Thiazin-2-yl)Methanone","","- C16 H12 Br N O S -","- C16 H12 Br N O S -","- C64 H48 Br4 N4 O4 S4 -","4","1","","preet, Simer; Cannoo, Damanjit Singh","Base induced synthesis of 4H-1,4-benzothiazines and their computational studies","RSC Adv.","2015","","","","","10.1039/C5RA12442E","","","0.71073","MoKα","","0.1214","0.0587","","","0.113","0.1384","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222042","8.666","0.003","15.518","0.005","15.924","0.006","103.487","0.004","95.131","0.004","91.792","0.004","2071","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 Cd2 N5 O8 -","- C45 H27 Cd2 N5 O8 -","- C90 H54 Cd4 N10 O16 -","2","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.0648","0.0531","","","0.1593","0.1676","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222043","29.1344","0.0011","8.6686","0.0003","31.9584","0.0014","90","","112.448","0.005","90","","7459.7","0.6","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H23 Cd2 N13 O6 -","- C32 H23 Cd2 N13 O6 -","- C256 H184 Cd16 N104 O48 -","8","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.0715","0.0541","","","0.1538","0.1725","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222044","11.5662","0.0005","14.0642","0.0012","14.1354","0.001","65.656","0.008","66.949","0.005","82.089","0.005","1926.9","0.3","290.92","0.1","290.92","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N5 O9 Pb2 -","- C45 H29 N5 O9 Pb2 -","- C90 H58 N10 O18 Pb4 -","2","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.0617","0.0454","","","0.0932","0.1025","","","","","","1.041","","","","has coordinates","155203","2020-10-21","18:00:00",""
"7222045","8.7544","0.0005","8.4785","0.0007","39.392","0.004","90","","92.684","0.007","90","","2920.6","0.4","294.63","0.1","294.63","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N3 O8 Zn2 -","- C31 H20 N3 O8 Zn2 -","- C124 H80 N12 O32 Zn8 -","4","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.135","0.0928","","","0.2468","0.262","","","","","","1.076","","","","has coordinates","155203","2020-10-21","18:00:00",""
"7222046","12.0855","0.0006","12.1636","0.0006","13.5127","0.0006","98.04","0.004","111.284","0.004","96.639","0.004","1802.68","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Cd2 N5 O9 -","- C38 H27 Cd2 N5 O9 -","- C76 H54 Cd4 N10 O18 -","2","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.0432","0.0333","","","0.0771","0.0873","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222047","8.622","0.0004","39.658","0.003","13.6015","0.0006","90","","92.6","0.005","90","","4646","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H32 Mn3 N6 O14 -","- C52 H32 Mn3 N6 O14 -","- C208 H128 Mn12 N24 O56 -","4","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.1146","0.0759","","","0.1934","0.223","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222048","22.4941","0.0015","11.1377","0.0008","9.8101","0.0007","90","","103.1","0.001","90","","2393.8","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cd3 N2 O12 P2 -","- C14 H26 Cd3 N2 O12 P2 -","- C56 H104 Cd12 N8 O48 P8 -","4","0.5","","Ma, Chao; Jiao, Cheng‒Qi; Sun, Zhen-Gang; Zhu, Yanyu; Zhang, Xiao-Wen; Wang, Mei-Ling; Yang, Dan; Zhao, Zhou; Li, Huan-Yu; Xing, Bo","Two novel cadmium(II) carboxyphosphonates with 3D framework structure: syntheses, crystal structures, luminescence and molecular recognition properties","RSC Adv.","2015","","","","","10.1039/C5RA15663G","","","0.71073","MoKα","","0.0299","0.027","","","0.0833","0.0863","","","","","","1.098","","","","has coordinates","155204","2020-10-21","18:00:00",""
"7222049","11.6729","0.0006","8.939","0.0004","12.9834","0.0007","90","","110.266","0.001","90","","1270.87","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Cd3 Cl2 N2 O12 P2 -","- C14 H28 Cd3 Cl2 N2 O12 P2 -","- C28 H56 Cd6 Cl4 N4 O24 P4 -","2","0.5","","Ma, Chao; Jiao, Cheng‒Qi; Sun, Zhen-Gang; Zhu, Yanyu; Zhang, Xiao-Wen; Wang, Mei-Ling; Yang, Dan; Zhao, Zhou; Li, Huan-Yu; Xing, Bo","Two novel cadmium(II) carboxyphosphonates with 3D framework structure: syntheses, crystal structures, luminescence and molecular recognition properties","RSC Adv.","2015","","","","","10.1039/C5RA15663G","","","0.71073","MoKα","","0.019","0.0178","","","0.0514","0.0522","","","","","","1.046","","","","has coordinates","155204","2020-10-21","18:00:00",""
"7222050","8.3168","0.0001","11.6769","0.0002","10.7135","0.0002","90","","90.696","0.001","90","","1040.36","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-butyl-2,3-methylimidazolium chloride","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Nelyubina, Yu. V.; Korlyukov, A. A.; Lyssenko, K. A.","Invariom approach as a new tool in electron density studies of ionic liquids: a model case of 1-butyl-2,3-dimethylimidazolium chloride BDMIM[Cl]","RSC Adv.","2015","5","92","75360","","10.1039/C5RA13752G","","","0.71073","MoKα","","0.0663","0.036","","","0.0919","0.1188","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222051","13.9952","0.0017","9.1123","0.0012","15.2436","0.0019","90","","97.909","0.009","90","","1925.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Mulla, Shafeek Abdul Rashid; Chavan, Santosh S.; Pathan, Mohsinkhan Y.; Thorat, Sridhar Hanamant; Gonnade, Rajesh G.","A novel one-pot multi-component synthesis of 3, 3’disubstituted oxindoles and spirooxindoles scaffold via Sn-catalyzed C(sp3)-H functionalization of azaarenes by sequential Knoevenagel-Michael-Cyclization reaction","RSC Adv.","2015","","","","","10.1039/C5RA16334J","","","0.71073","MoKα","","0.1388","0.1164","","","0.1985","0.2103","","","","","","1.187","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222052","12.3799","0.0012","13.0555","0.0012","11.5532","0.0011","90","","98.57","0.005","90","","1846.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N5 O -","- C22 H19 N5 O -","- C88 H76 N20 O4 -","4","1","","Mulla, Shafeek Abdul Rashid; Chavan, Santosh S.; Pathan, Mohsinkhan Y.; Thorat, Sridhar Hanamant; Gonnade, Rajesh G.","A novel one-pot multi-component synthesis of 3, 3’disubstituted oxindoles and spirooxindoles scaffold via Sn-catalyzed C(sp3)-H functionalization of azaarenes by sequential Knoevenagel-Michael-Cyclization reaction","RSC Adv.","2015","","","","","10.1039/C5RA16334J","","","0.71073","MoKα","","0.07","0.0551","","","0.1569","0.1701","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222053","11.0915","0.0002","13.6907","0.0004","15.0334","0.0004","90","","91.931","0.002","90","","2281.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","4","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.0914","0.0469","","","0.1027","0.1276","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222054","36.07","0.002","21.17","0.0012","17.8547","0.0011","90","","91.22","0.004","90","","13630.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N12 O12 Zn3 -","- C84 H54 N12 O12 Zn3 -","- C336 H216 N48 O48 Zn12 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.1215","0.0715","","","0.2087","0.2226","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222055","7.3859","0.0003","13.247","0.0006","24.4599","0.0008","90","","90","","90","","2393.18","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Fluorophenyl)-2-(4-fluorophenylamino)acetonitrile","","- C14 H10 F2 N2 -","- C14 H10 F2 N2 -","- C112 H80 F16 N16 -","8","1","","Brahmachari, Goutam; Kumar, Abhishek; Srivastava, Ambrish Kumar; Misra, Neeraj; Gupta, Vivek; Gangwar, Shashi; Kant, Rajni","Synthesis, spectroscopic characterization, X-ray analysis and theoretical studies on the spectral features (FT-IR, 1H-NMR), chemical reactivity, NBO analyses of 2-(4-fluorophenyl)-2-(4-fluorophenylamino) acetonitrile, and its docking into IDO enzyme","RSC Adv.","2015","","","","","10.1039/C5RA15797H","","","0.71073","MoKα","","0.0771","0.0498","","","0.1257","0.1459","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222056","7.6582","0.0003","8.8071","0.0004","11.4566","0.0008","97.269","0.005","101.942","0.005","108.179","0.004","702.91","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl4 Cu2 N4 O4 -","- C30 H24 Cl4 Cu2 N4 O4 -","- C30 H24 Cl4 Cu2 N4 O4 -","1","0.5","","Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong","Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism","RSC Adv.","2015","","","","","10.1039/C5RA15789G","","","0.71073","MoKα","","0.0409","0.035","","","0.0872","0.0922","","","","","","1.007","","","","has coordinates","155496","2020-10-21","18:00:00",""
"7222057","7.3674","0.0001","18.0273","0.0003","23.508","0.0004","90","","90","","90","","3122.2","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cu N2 O7 S -","- C15 H14 Cu N2 O7 S -","- C120 H112 Cu8 N16 O56 S8 -","8","1","","Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong","Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism","RSC Adv.","2015","","","","","10.1039/C5RA15789G","","","0.71073","MoKα","","0.0298","0.0266","","","0.0707","0.0728","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222058","7.872","0.0004","17.1458","0.0005","12.8986","0.0005","90","","102.085","0.005","90","","1702.36","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl Cu N2 O8 -","- C16 H12 Cl Cu N2 O8 -","- C64 H48 Cl4 Cu4 N8 O32 -","4","1","","Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong","Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism","RSC Adv.","2015","","","","","10.1039/C5RA15789G","","","0.7107","MoKα","","0.0599","0.0403","","","0.0849","0.095","","","","","","1.068","","","","has coordinates","155496","2020-10-21","18:00:00",""
"7222059","16.177","0.003","7.5746","0.0013","19.698","0.004","90","","107.485","0.009","90","","2302.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0609","","","0.1743","0.1852","","","","","","1.205","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222060","16.337","0.013","7.599","0.006","19.883","0.015","90","","107.782","0.009","90","","2350","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1763","0.0974","","","0.2147","0.2727","","","","","","1.143","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222061","9.117","0.006","11.604","0.008","18.108","0.012","90","","92.885","0.008","90","","1913","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0573","0.0524","","","0.1547","0.1589","","","","","","1.139","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222062","7.6951","0.001","20.299","0.002","9.089","0.001","90","","92.677","0.006","90","","1418.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0607","0.0522","","","0.1512","0.1697","","","","","","1.114","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222064","7.9","0.004","22.159","0.011","8.964","0.005","90","","106.54","0.005","90","","1504.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0553","0.0484","","","0.1366","0.1492","","","","","","1.1","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222065","7.842","0.002","21.894","0.004","9.26","0.003","90","","106.278","0.012","90","","1526.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0736","0.0632","","","0.1757","0.1915","","","","","","1.14","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222066","7.986","0.005","16.748","0.01","8.276","0.005","90","","90.474","0.008","90","","1106.9","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0541","0.0488","","","0.1445","0.1559","","","","","","1.125","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222067","7.718","0.005","18.754","0.011","9.201","0.006","90","","96.278","0.008","90","","1323.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.06","0.054","","","0.1501","0.156","","","","","","1.086","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222069","7.821","0.003","22.849","0.008","8.387","0.003","90","","91.286","0.015","90","","1498.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0623","0.0546","","","0.1524","0.1691","","","","","","1.096","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222071","17.8576","0.0019","9.9354","0.001","18.732","0.002","90","","105.457","0.004","90","","3203.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.12","0.0796","","","0.2029","0.2461","","","","","","1.116","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222072","8.139","0.002","12.331","0.004","16.793","0.005","90","","98.031","0.013","90","","1668.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0799","0.0662","","","0.1964","0.2119","","","","","","1.088","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222073","18.468","0.003","7.2386","0.0011","11.831","0.002","90","","91.866","0.01","90","","1580.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0779","0.0663","","","0.1852","0.2005","","","","","","1.059","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222074","7.656","0.007","22.46","0.02","8.94","0.008","90","","91.516","0.014","90","","1537","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0926","0.0721","","","0.1997","0.224","","","","","","1.149","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222075","7.742","0.004","22.159","0.011","9.1","0.005","90","","93.63","0.005","90","","1558","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0613","0.0503","","","0.1427","0.1623","","","","","","1.165","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222076","9.097","0.017","12.117","0.019","12.53","0.02","73.19","0.05","81.98","0.05","75.42","0.05","1276","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.2668","0.1231","","","0.2833","0.3809","","","","","","1.002","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222077","7.734","0.005","9.196","0.006","20.844","0.014","101.37","0.015","94.21","0.03","96.022","0.017","1438.6","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N4 O4 -","- C33 H34 N4 O4 -","- C66 H68 N8 O8 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1262","0.0729","","","0.1821","0.2307","","","","","","1.074","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222078","7.7071","0.0019","8.9632","0.0019","12.79","0.002","78.86","0.04","79.56","0.04","83.81","0.04","850.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0831","0.0632","","","0.1703","0.2029","","","","","","0.981","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222079","7.287","0.006","9.179","0.007","14.419","0.011","105.567","0.019","90.12","0.03","93.375","0.019","927.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C44 H46 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1177","0.0755","","","0.1922","0.2921","","","","","","0.949","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222080","7.635","0.005","9.055","0.008","17.237","0.013","96.22","0.03","94.09","0.02","113.734","0.015","1075.8","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O2 -","- C24 H28 N4 O2 -","- C48 H56 N8 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0586","","","0.1696","0.1865","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222085","12.8529","0.0005","13.5669","0.0004","14.6676","0.0005","90","","107.713","0.001","90","","2436.4","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0349","0.0263","","","0.0667","0.0715","","","","","","1.032","","","","has coordinates","173741","2020-10-21","18:00:00",""
"7222086","12.8561","0.0004","13.618","0.0004","14.6351","0.0005","90","","107.906","0.001","90","","2438.12","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19.09 Br N2 O4 S2 -","- C28 H19.094 Br N2 O4 S2 -","- C112 H76.376 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0526","0.0333","","","0.0756","0.0836","","","","","","1.02","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222087","12.865","0.0006","13.6783","0.0006","14.6129","0.0007","90","","108.152","0.002","90","","2443.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0554","0.0364","","","0.0906","0.1018","","","","","","1.042","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222092","12.8049","0.001","14.1886","0.0009","14.4999","0.0011","90","","110.453","0.003","90","","2468.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1656","0.0781","","","0.1613","0.1988","","","","","","1.016","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222093","12.7386","0.0012","14.1989","0.0011","14.6254","0.0012","90","","110.594","0.004","90","","2476.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2066","0.1037","","","0.1538","0.1942","","","","","","1.04","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222094","12.6987","0.001","14.2111","0.0011","14.6928","0.0012","90","","110.648","0.003","90","","2481.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C27.997 H18.995 Br N1.999 O4 S2 -","- C111.988 H75.98 Br4 N7.996 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1621","0.083","","","0.1447","0.1747","","","","","","1.03","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222095","12.668","0.002","14.193","0.003","14.74","0.003","90","","110.608","0.005","90","","2480.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.0799","","","0.1465","0.1909","","","","","","1.019","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222096","12.683","0.0016","14.2527","0.0017","14.782","0.002","90","","110.713","0.004","90","","2499.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1588","0.0728","","","0.12","0.1482","","","","","","1.027","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222097","8.2573","0.0009","12.5878","0.0013","14.5411","0.0016","110.12","0.006","90.583","0.007","99.971","0.006","1393.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br Cl2 N2 O4 S2 -","- C29 H22 Br Cl2 N2 O4 S2 -","- C58 H44 Br2 Cl4 N4 O8 S4 -","2","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.1111","","","0.3219","0.3543","","","","","","1.075","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222098","12.7053","0.0008","23.1346","0.0014","8.5162","0.0005","90","","103.246","0.004","90","","2436.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1324","0.0664","","","0.1549","0.1709","","","","","","1.029","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222099","12.6357","0.001","14.2062","0.0011","14.7531","0.0012","90","","110.689","0.004","90","","2477.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1502","0.0907","","","0.1432","0.1663","","","","","","1.128","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222100","9.9508","0.0003","19.0262","0.0006","19.3662","0.0006","90","","90","","90","","3666.5","0.2","100","2","100","2","","","","","","","Penthorum Chinese","3","P b c a","-P 2ac 2ab","61","Penchinone D","Penchinone D","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","He, Ya-Cong; Peng, Cheng; Xie, Xiao-Fang; Chen, Ming-Hua; Li, Xiao-Nian; Li, Meng-Ting; Zhou, Qin-Mei; Guo, Li; Xiong, Liang","Penchinones A‒D, two pairs of cis-trans isomers with rearranged neolignane carbon skeletons from Penthorum chinense","RSC Adv.","2015","5","94","76788","","10.1039/C5RA15982B","","","1.54178","CuKα","","0.0389","0.0389","","","0.0999","0.0999","","","","","","1.123","","","","has coordinates","155873","2020-10-21","18:00:00",""
"7222101","14.6051","0.001","15.8731","0.0011","8.9463","0.0006","90","","97.986","0.001","90","","2053.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-((tert-butyldimethylsilyl)oxy)-6-(1,3-dioxan-2-yl)-2-methoxybenzoate","","- C19 H30 O6 Si -","- C19 H30 O6 Si -","- C76 H120 O24 Si4 -","4","1","","Bray, Christopher D.; Willis, Nicky J.","An ortho-quinone methide based strategy towards the rubromycin spiroketal family","RSC Adv.","2015","","","","","10.1039/C5RA17108C","","","0.71073","MoKα","","0.0587","0.0417","","","0.1146","0.1274","","","","","","1.04","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222102","5.3489","0.0014","16.754","0.004","24.034","0.006","89.741","0.008","89.969","0.009","89.739","0.009","2153.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Br N2 S2 -","- C24 H23 Br N2 S2 -","- C96 H92 Br4 N8 S8 -","4","2","","Giri, Dipanjan; Patra, Sanjib K.","Benzodithieno-imidazole based π-conjugated fluorescent polymer probe for selective sensing of Cu2+","RSC Adv.","2015","","","","","10.1039/C5RA14079J","","","0.71073","MoKα","","0.1309","0.061","","","0.1357","0.1696","","","","","","0.953","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222103","14.7495","0.0009","15.5216","0.0008","19.1751","0.001","108.72","0.005","100.073","0.005","108.177","0.005","3761.1","0.4","100.2","0.8","100.2","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Br2 N5 O2 S -","- C39 H39 Br2 N5 O2 S -","- C156 H156 Br8 N20 O8 S4 -","4","2","","Said, Nur Rahimah; Rezayi, Majid; Narimani, Leila; Abdul Manan, Ninie Suhana; Alias, Yatimah","A novel potentiometric self-plasticizing polypyrrole sensor based on a bidentate bis-NHC ligand for determination of Hg(ii) cation","RSC Adv.","2015","5","93","76263","","10.1039/C5RA10950G","","","0.71073","MoKα","","0.161","0.0977","","","0.2737","0.314","","","","","","1.071","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222104","10.2417","0.0011","14.2078","0.0011","10.737","0.0009","90","","98.19","0.01","90","","1546.4","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Co N4 Na O9 S2 -","- C6 H24 Co N4 Na O9 S2 -","- C24 H96 Co4 N16 Na4 O36 S8 -","4","0.5","","Behera, Jogendra Nath; Kumar, Jitendra; Tiwari, Ranjay K.","H‒bond Supported Coordination Polymers of Transition Metal Sulfites with Different Dimensionalities","RSC Adv.","2015","","","","","10.1039/C5RA16223H","","","0.71073","MoKα","","0.0568","0.0381","","","0.0967","0.1212","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222105","8.7984","0.0002","13.7933","0.0002","13.9548","0.0002","90","","103.557","0.001","90","","1646.35","0.05","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 Co N4 Na O9 S2 -","- C6 H26 Co N4 Na O9 S2 -","- C24 H104 Co4 N16 Na4 O36 S8 -","4","1","","Behera, Jogendra Nath; Kumar, Jitendra; Tiwari, Ranjay K.","H‒bond Supported Coordination Polymers of Transition Metal Sulfites with Different Dimensionalities","RSC Adv.","2015","","","","","10.1039/C5RA16223H","","","0.71073","MoKα","","0.0422","0.0322","","","0.0775","0.0821","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222106","10.061","0.005","10.157","0.005","10.26","0.005","70.753","0.011","61.288","0.01","80.871","0.012","868.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 N4 O9 S3 Zn3 -","- C6 H18 N4 O9 S3 Zn3 -","- C12 H36 N8 O18 S6 Zn6 -","2","1","","Behera, Jogendra Nath; Kumar, Jitendra; Tiwari, Ranjay K.","H‒bond Supported Coordination Polymers of Transition Metal Sulfites with Different Dimensionalities","RSC Adv.","2015","","","","","10.1039/C5RA16223H","","","0.71073","MoKα","","0.1228","0.0682","","","0.163","0.1972","","","","","","1.017","","","","has coordinates","155877","2020-10-21","18:00:00",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222112","23.0884","0.0007","10.4956","0.0004","7.3329","0.0002","90","","90","","90","","1776.96","0.1","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","1.54178","CuKα","","0.0366","0.0315","","","0.0791","0.0818","","","","","","1.029","","","","has coordinates","161996","2020-10-21","18:00:00",""
"7222113","22.9356","0.0009","10.4908","0.0004","7.3765","0.0003","90","","90","","90","","1774.88","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1151","0.1229","","","","","","1.092","","","","has coordinates,has disorder","161996","2020-10-21","18:00:00",""
"7222114","11.335","0.005","12.004","0.005","15.559","0.005","106","0.005","92.63","0.005","114.145","0.005","1826.4","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3a","","- C46 H40 N4 O2 -","- C46 H40 N4 O2 -","- C92 H80 N8 O4 -","2","1","","Koorathota, Suman; Thennarasu, Sathiah","Acetic Acid Promoted Tandem Cyclization of in situ Generated 1,3-Dipoles: Setereoselective Synthesis of Dispiroimidazolidinyl and Dispiropyrrolidinyl Oxindoles with Multiple Chiral Stereocenters","RSC Adv.","2015","","","","","10.1039/C5RA17215B","","","0.71073","MoKα","","0.1113","0.0597","","","0.1698","0.2037","","","","","","1.048","","","","has coordinates","155889","2020-10-21","18:00:00",""
"7222115","22.523","0.002","8.9345","0.0007","32.983","0.003","90","","105.1","0.003","90","","6408.1","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","15a","","- C40 H33 N3 O4 -","- C40 H33 N3 O4 -","- C320 H264 N24 O32 -","8","2","","Koorathota, Suman; Thennarasu, Sathiah","Acetic Acid Promoted Tandem Cyclization of in situ Generated 1,3-Dipoles: Setereoselective Synthesis of Dispiroimidazolidinyl and Dispiropyrrolidinyl Oxindoles with Multiple Chiral Stereocenters","RSC Adv.","2015","","","","","10.1039/C5RA17215B","","","0.71073","MoKα","","0.1188","0.0757","","","0.2041","0.2449","","","","","","1.062","","","","has coordinates","155889","2020-10-21","18:00:00",""
"7222116","19.841","0.009","14.971","0.007","6.892","0.003","90","","92.59","0.01","90","","2045.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N20 O8 Zn2 -","- C32 H24 N20 O8 Zn2 -","- C64 H48 N40 O16 Zn4 -","2","0.25","","Zou, Yang; Chen, Jing; Li, Yuan-Yuan; Li, Li; Liu, Jian-Lan; Ren, Xiaoming","Three Zn(II)/Cd(II)/Mn(II) Coordination Polymers Based on a 2-Hydroxy-N-( 1H-tetrazol-5-yl) Benzamide Ligand: Structures, Magnetic and Photoluminescence Properties","RSC Adv.","2015","","","","","10.1039/C5RA14948G","","","0.71073","MoKα","","0.0796","0.0488","","","0.0846","0.0935","","","","","","0.997","","","","has coordinates","155890","2020-10-21","18:00:00",""
"7222117","21.091","0.009","14.402","0.007","7.062","0.003","90","","93.23","0.01","90","","2141.7","1.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cd N10 O4 -","- C16 H12 Cd N10 O4 -","- C64 H48 Cd4 N40 O16 -","4","0.5","","Zou, Yang; Chen, Jing; Li, Yuan-Yuan; Li, Li; Liu, Jian-Lan; Ren, Xiaoming","Three Zn(II)/Cd(II)/Mn(II) Coordination Polymers Based on a 2-Hydroxy-N-( 1H-tetrazol-5-yl) Benzamide Ligand: Structures, Magnetic and Photoluminescence Properties","RSC Adv.","2015","","","","","10.1039/C5RA14948G","","","0.71073","MoKα","","0.0331","0.0284","","","0.0727","0.075","","","","","","1.113","","","","has coordinates","155890","2020-10-21","18:00:00",""
"7222118","20.377","0.005","14.889","0.004","7.071","0.002","90","","93.48","0.01","90","","2141.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Mn4 N40 O16 -","- C64 H48 Mn4 N40 O16 -","- C64 H48 Mn4 N40 O16 -","1","0.125","","Zou, Yang; Chen, Jing; Li, Yuan-Yuan; Li, Li; Liu, Jian-Lan; Ren, Xiaoming","Three Zn(II)/Cd(II)/Mn(II) Coordination Polymers Based on a 2-Hydroxy-N-( 1H-tetrazol-5-yl) Benzamide Ligand: Structures, Magnetic and Photoluminescence Properties","RSC Adv.","2015","","","","","10.1039/C5RA14948G","","","0.71073","MoKα","","0.066","0.0389","","","0.0981","0.1067","","","","","","1.027","","","","has coordinates","155890","2020-10-21","18:00:00",""
"7222120","14.7932","0.0012","14.7382","0.0011","10.6919","0.0008","90","","112.289","0.001","90","","2156.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Ce N O12 -","- C21 H18 Ce N O12 -","- C84 H72 Ce4 N4 O48 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0358","0.0308","","","0.0741","0.078","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222121","9.3219","0.0006","10.5274","0.0006","11.1369","0.0007","64.34","0.001","80.881","0.001","82.009","0.001","969.64","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N Nd O9 -","- C21 H12 N Nd O9 -","- C42 H24 N2 Nd2 O18 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0396","0.0353","","","0.0941","0.0966","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222122","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N O9 -","- C21 H12 Eu N O9 -","- C84 H48 Eu4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.032","0.0298","","","0.0854","0.087","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222123","9.4281","0.0006","10.5623","0.0007","11.1893","0.0007","64.0602","0.0009","80.8746","0.0009","82.0709","0.0008","986.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O10.5 Sm -","- C21 H15 N O10.5 Sm -","- C42 H30 N2 O21 Sm2 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0267","0.024","","","0.0589","0.0605","","","","","","1.042","","","","has coordinates,has disorder","171037","2020-10-21","18:00:00",""
"7222124","17.72","0.04","12.11","0.02","9.324","0.019","90","","113.41","0.03","90","","1836","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H7 N O8 Tb -","- C21 H7 N O8 Tb -","- C84 H28 N4 O32 Tb4 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.1249","0.0812","","","0.1582","0.1752","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222125","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N O9 -","- C21 H12 Er N O9 -","- C84 H48 Er4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0399","0.0374","","","0.1113","0.1135","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222126","14.3898","0.0006","12.7305","0.0005","14.4617","0.0007","90","","111.279","0.002","90","","2468.62","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Mo6 N6 O21 -","- C44 H44 Mo6 N6 O21 -","- C88 H88 Mo12 N12 O42 -","2","0.5","","Menet, Clotilde; Brault, Hélène Serier; OMS, OLIVIER; DOLBECQ, Anne; Marrot, Jérôme; Saad, Ali; Mialane, Pierre; Jobic, Stéphane; Deniard, Philippe; Dessapt, Rémi","Influence of Electronic vs. Steric Factors on the Solid-State Photochromic Performances of New Polyoxometalate/Spirooxazine and Spiropyran Hybrid Materials","RSC Adv.","2015","","","","","10.1039/C5RA15860E","","","0.71073","MoKα","","0.0373","0.0264","","","0.06","0.0665","","","","","","0.959","","","","has coordinates","156316","2020-10-21","18:00:00",""
"7222127","14.41","0.003","12.743","0.003","14.549","0.003","90","","111.339","0.01","90","","2488.4","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N6 O21 W6 -","- C44 H44 N6 O21 W6 -","- C88 H88 N12 O42 W12 -","2","0.5","","Menet, Clotilde; Brault, Hélène Serier; OMS, OLIVIER; DOLBECQ, Anne; Marrot, Jérôme; Saad, Ali; Mialane, Pierre; Jobic, Stéphane; Deniard, Philippe; Dessapt, Rémi","Influence of Electronic vs. Steric Factors on the Solid-State Photochromic Performances of New Polyoxometalate/Spirooxazine and Spiropyran Hybrid Materials","RSC Adv.","2015","","","","","10.1039/C5RA15860E","","","0.71073","MoKα","","0.0256","0.0208","","","0.0563","0.06","","","","","","1.032","","","","has coordinates","156316","2020-10-21","18:00:00",""
"7222128","10.4923","0.0002","15.1018","0.0003","16.1338","0.0002","90","","104.652","0.0006","90","","2473.3","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47.5 N4.5 O21 W6 -","- C41 H47.5 N4.5 O21 W6 -","- C82 H95 N9 O42 W12 -","2","0.5","","Menet, Clotilde; Brault, Hélène Serier; OMS, OLIVIER; DOLBECQ, Anne; Marrot, Jérôme; Saad, Ali; Mialane, Pierre; Jobic, Stéphane; Deniard, Philippe; Dessapt, Rémi","Influence of Electronic vs. Steric Factors on the Solid-State Photochromic Performances of New Polyoxometalate/Spirooxazine and Spiropyran Hybrid Materials","RSC Adv.","2015","","","","","10.1039/C5RA15860E","","","0.71073","MoKα","","0.043","0.032","","","0.0908","0.1042","","","","","","1.119","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222129","6.3846","0.0013","16.788","0.004","7.9738","0.0016","90","","92.052","0.004","90","","854.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H24 N O7 -","- C32 H48 N2 O14 -","2","1","","Yue, Yongkang; Huo, Fangjun; Yin, Caixia; Chao, Jianbin; Yongbin Zhang, Yongbin Zhang; Wei, Xing","An ICT based ultraselective and sensitive fluorescent probe for detection of HClO in living cells","RSC Adv.","2015","5","95","77670","","10.1039/C5RA16097A","","","0.71073","MoKα","","0.0378","0.0368","","","0.0964","0.0975","","","","","","1.07","","","","has coordinates","156317","2020-10-21","18:00:00",""
"7222130","13.288","0.002","4.6447","0.0006","19.479","0.003","90","","101.696","0.002","90","","1177.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C68 H44 N4 O8 -","4","1","","Pal, Sanjima; Konkimalla, V. Badireenath; Kathwate, Laxmi; Rao, Soniya S.; Gejji, Shridhar P.; Puranik, Vedavati; Weyhermueller, Thomas; Salunke-Gawali, Sunita","Targeting chemorefractory COLO205 (BRAF V600E) cell lines using substituted benzo[a]phenoxazines†","RSC Adv.","2015","","","","","10.1039/C5RA14949E","","","0.71073","MoKα","","0.0514","0.0408","","","0.1144","0.1251","","","","","","1.076","","","","has coordinates","156318","2020-10-21","18:00:00",""
"7222131","3.9191","0.00009","23.306","0.0005","12.358","0.0003","90","","94.315","0.001","90","","1125.56","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzophenoxazine","L3B","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Pal, Sanjima; Konkimalla, V. Badireenath; Kathwate, Laxmi; Rao, Soniya S.; Gejji, Shridhar P.; Puranik, Vedavati; Weyhermueller, Thomas; Salunke-Gawali, Sunita","Targeting chemorefractory COLO205 (BRAF V600E) cell lines using substituted benzo[a]phenoxazines†","RSC Adv.","2015","","","","","10.1039/C5RA14949E","","","0.71073","MoKα","","0.0508","0.035","","","0.0901","0.1019","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222132","8.441","0.008","8.833","0.009","12.787","0.012","80.631","0.017","83.312","0.017","73.966","0.016","901.5","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Hg N6 O4 -","- C16 H12 Hg N6 O4 -","- C32 H24 Hg2 N12 O8 -","2","1","","Hou, yong; Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Joo, Sang Woo","Two reversible transformable mercury(II) coordination polymers as efficient adsorbents for removal of dibenzothiophene","RSC Adv.","2015","","","","","10.1039/C5RA12686J","","","0.71073","MoKα","","0.0679","0.0594","","","0.1463","0.1509","","","","","","1.009","","","","has coordinates","156319","2020-10-21","18:00:00",""
"7222133","10.6771","0.0013","11.781","0.0014","13.604","0.002","105.335","0.004","110.148","0.004","95.645","0.003","1515","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Hg3 N10 S6 -","- C22 H12 Hg3 N10 S6 -","- C44 H24 Hg6 N20 S12 -","2","1","","Hou, yong; Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Joo, Sang Woo","Two reversible transformable mercury(II) coordination polymers as efficient adsorbents for removal of dibenzothiophene","RSC Adv.","2015","","","","","10.1039/C5RA12686J","","","0.71073","MoKα","","0.0321","0.0265","","","0.0621","0.0645","","","","","","1.02","","","","has coordinates","156319","2020-10-21","18:00:00",""
"7222134","10.135","0.0005","10.1437","0.0005","11.0965","0.0006","88.561","0.003","88.606","0.002","68.603","0.002","1061.69","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 Hg N4 -","- C10 H6 Hg N4 -","- C40 H24 Hg4 N16 -","4","2","","Hou, yong; Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Joo, Sang Woo","Two reversible transformable mercury(II) coordination polymers as efficient adsorbents for removal of dibenzothiophene","RSC Adv.","2015","","","","","10.1039/C5RA12686J","","","0.71073","MoKα","","0.0478","0.0451","","","0.1242","0.1262","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222135","12.174","0.002","13.613","0.001","14.483","0.001","62.36","0.01","73.4","0.01","71.82","0.01","1991.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cu F N6 O10 P -","- C42 H42 Cu F N6 O10 P -","- C84 H84 Cu2 F2 N12 O20 P2 -","2","1","","Bykowska, Aleksandra; Starosta, Radosław; Jezierska, Julia; Jezowska-Bojczuk, Malgorzata","Coordination versatility of phosphine derivatives of fluoroquinolones. New Cu(I) and Cu(II) complexes and their interactions with DNA.","RSC Adv.","2015","","","","","10.1039/C5RA07483E","","","0.71073","MoKα","","0.0938","0.0579","","","0.145","0.1576","","","","","","0.969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222136","11.722","0.001","13.245","0.002","15.234","0.002","101.43","0.02","99.33","0.01","94.55","0.01","2272.4","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H46 Cl2 Cu F I N6 O3 P -","- C47 H46 Cl2 Cu F I N6 O3 P -","- C94 H92 Cl4 Cu2 F2 I2 N12 O6 P2 -","2","1","","Bykowska, Aleksandra; Starosta, Radosław; Jezierska, Julia; Jezowska-Bojczuk, Malgorzata","Coordination versatility of phosphine derivatives of fluoroquinolones. New Cu(I) and Cu(II) complexes and their interactions with DNA.","RSC Adv.","2015","","","","","10.1039/C5RA07483E","","","0.71073","MoKα","","0.1515","0.0562","","","0.0879","0.1037","","","","","","0.867","","","","has coordinates","156320","2020-10-21","18:00:00",""
"7222137","14.5012","0.0011","44.132","0.002","50.412","0.002","90","","90","","90","","32262","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 Eu N O8 -","- C16 H10 Eu N O8 -","- C512 H320 Eu32 N32 O256 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0642","0.0459","","","0.1039","0.1086","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222138","14.4927","0.0011","44.273","0.002","50.103","0.002","90","","90","","90","","32148","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 N O8 Tb -","- C16 H10 N O8 Tb -","- C512 H320 N32 O256 Tb32 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0561","0.0372","","","0.0878","0.0961","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222139","14.331","0.002","23.7137","0.0015","25.4868","0.0014","86.039","0.002","74.929","0.003","74.441","0.002","8057.1","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N4 Nd4 O32 -","- C64 H40 N4 Nd4 O32 -","- C128 H80 N8 Nd8 O64 -","2","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0619","0.045","","","0.1114","0.1165","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222140","11.7046","0.0009","14.5353","0.0011","28.585","0.002","85.514","0.001","78.994","0.001","66.817","0.001","4388.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 B Co2.5 N24 O46 W12 -","- C48 H54 B Co2.5 N24 O45 W12 -","- C96 H108 B2 Co5 N48 O90 W24 -","2","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.0555","0.042","","","0.0962","0.1011","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222141","39.245","0.008","15.242","0.003","23.514","0.005","90","","115.77","0.03","90","","12667","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Co N15 O43 P W12 -","- C30 H37 Co N15 O43 P W12 -","- C240 H296 Co8 N120 O344 P8 W96 -","8","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.074","0.0459","","","0.0898","0.0986","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222142","51.26","0.004","15.4783","0.001","24.3771","0.0016","90","","103.921","0.002","90","","18773","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B2 Cu5 N60 O84 W24 -","- C120 H126 B2 Cu5 N60 O84 W24 -","- C480 H504 B8 Cu20 N240 O336 W96 -","4","0.5","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.1087","0.0866","","","0.1705","0.1822","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222143","34.0176","0.0019","14.8864","0.0004","22.9056","0.0012","90","","126.648","0.008","90","","9306.4","1.2","150","0.14","150","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","aloophohme","","","- C86 H122 Al2 O10 -","- C86 H122 Al2 O10 -","- C344 H488 Al8 O40 -","4","0.5","","Chen, Hsing-Yin; Lee, Ying Hsien; Chiang, Michael, Y.; Lu, Wei-Yi; Tseng, Hsi-Ching; Chen, Yu-Hsieh; Lai, Yi-Chun; Lin, Chu-Chieh; Chen, Hsuan-Ying","Coordinating Effect in Ring-opening Polymerization of ε-Caprolactone Using Aluminum Complexes Bearing Bisphenolate as Catalysts","RSC Adv.","2015","","","","","10.1039/C5RA10753A","","","0.71073","MoKα","","0.1091","0.0783","","","0.233","0.2563","","","","","","1.049","","","","has coordinates,has disorder","156351","2020-10-21","18:00:00",""
"7222144","12.8572","0.0003","18.3621","0.0004","16.6259","0.0003","90","","100.142","0.002","90","","3863.8","0.14","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","FCl-AlMe","","- C40 H55 Al Cl F O3 -","- C40 H55 Al Cl F O3 -","- C160 H220 Al4 Cl4 F4 O12 -","4","2","","Chen, Hsing-Yin; Lee, Ying Hsien; Chiang, Michael, Y.; Lu, Wei-Yi; Tseng, Hsi-Ching; Chen, Yu-Hsieh; Lai, Yi-Chun; Lin, Chu-Chieh; Chen, Hsuan-Ying","Coordinating Effect in Ring-opening Polymerization of ε-Caprolactone Using Aluminum Complexes Bearing Bisphenolate as Catalysts","RSC Adv.","2015","","","","","10.1039/C5RA10753A","","","0.7107","MoKα","","0.0549","0.0419","","","0.0937","0.0999","","","","","","1.083","","","","has coordinates,has disorder","156351","2020-10-21","18:00:00",""
"7222145","11.7603","0.0002","14.1138","0.0003","14.5223","0.0003","65.8221","0.0008","86.824","0.0009","70.2805","0.0008","2060.4","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H48 N2 O2 S2 -","- C51 H48 N2 O2 S2 -","- C102 H96 N4 O4 S4 -","2","1","","Padalkar, Vikas S.; Sakamaki, Daisuke; Tohnai, Norimitsu; Akutagawa, Tomoyuki; Sakai, Ken-ichi; Seki, Shu","Highly Emissive Excited‒State Intramolecular Proton Transfer (ESIPT) Inspired 2‒(2′‒Hydroxy) BenzothiazoleFluorene Motifs: Spectroscopic and Photophysical Properties Investigation","RSC Adv.","2015","","","","","10.1039/C5RA17980G","","","1.54187","CuKα","","0.0498","0.0418","","","0.1052","0.1171","","","","","","1.085","","","","has coordinates","156352","2020-10-21","18:00:00",""
"7222146","15.3483","0.0009","12.7358","0.0008","19.076","0.0011","90","","92.446","0.004","90","","3725.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Cu2 N10 O18 -","- C28 H42 Cu2 N10 O18 -","- C112 H168 Cu8 N40 O72 -","4","0.5","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.1406","0.0756","","","0.1962","0.247","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222147","15.2074","0.0004","12.6983","0.0003","20.2333","0.0005","90","","91.693","0.001","90","","3905.51","0.17","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H47 Cu2 N10 O16.5 -","- C31 H44 Cu2 N10 O16.5 -","- C124 H176 Cu8 N40 O66 -","4","0.5","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.062","0.0499","","","0.1461","0.157","","","","","","1.056","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222148","23.3712","0.0006","6.5538","0.0002","12.8896","0.0003","90","","90.749","0.001","90","","1974.13","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cu N5 O8 -","- C16 H25 Cu N5 O8 -","- C64 H100 Cu4 N20 O32 -","4","1","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.0529","0.0346","","","0.0803","0.0877","","","","","","1.037","","","","has coordinates,has disorder","156353","2020-10-21","18:00:00",""
"7222149","22.6374","0.0013","6.601","0.0004","12.4456","0.0007","90","","97.759","0.002","90","","1842.71","0.19","179","2","179","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl Cu N5 O7 -","- C14 H20 Cl Cu N5 O7 -","- C56 H80 Cl4 Cu4 N20 O28 -","4","1","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.0508","0.0397","","","0.0792","0.0839","","","","","","1.202","","","","has coordinates","156353","2020-10-21","18:00:00",""
"7222150","22.0294","0.0006","6.6638","0.0002","12.1691","0.0003","90","","98.658","0.002","90","","1766.06","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl Cu N5 O7 -","- C13 H18 Cl Cu N5 O7 -","- C52 H72 Cl4 Cu4 N20 O28 -","4","1","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.0427","0.0329","","","0.0797","0.0843","","","","","","1.038","","","","has coordinates","156353","2020-10-21","18:00:00",""
"7222151","9.1817","0.0004","11.7822","0.0005","22.0042","0.001","86.723","0.002","89.312","0.002","83.934","0.002","2363.19","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 Cl4 Cu2 N6 O25 -","- C30 H52 Cl4 Cu2 N6 O25 -","- C60 H104 Cl8 Cu4 N12 O50 -","2","1","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.0843","0.0492","","","0.1168","0.1329","","","","","","1.028","","","","has coordinates,has disorder","156353","2020-10-21","18:00:00",""
"7222152","12.0035","0.0005","9.561","0.0004","18.1151","0.0008","90","","105.715","0.003","90","","2001.28","0.15","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 Cu N5 O9 -","- C15 H25 Cu N5 O9 -","- C60 H100 Cu4 N20 O36 -","4","1","","Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath","A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium","RSC Adv.","2015","","","","","10.1039/C5RA14758A","","","0.71073","MoKα","","0.0885","0.048","","","0.1112","0.1307","","","","","","0.965","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222153","17.2433","0.0008","7.0535","0.0003","17.2503","0.001","90","","97.718","0.004","90","","2079.07","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Au Cl2 N S2 -","- C5 H10 Au Cl2 N S2 -","- C40 H80 Au8 Cl16 N8 S16 -","8","2","","Isab, A.; Altaf, Muhammad; Travnicek, Zdenek; Dvořák, Zdeněk; Stoeckli-Evans, Helen; Vanco, Jan","Synthesis, characterization and in vitro cytotoxicity of gold(III) dialkyl/diaryldithiocarbamato complexes","RSC Adv.","2015","","","","","10.1039/C5RA15123F","","","0.71073","MoKα","","0.0265","0.0218","","","0.0474","0.0481","","","","","","0.918","","","","has coordinates","156354","2020-10-21","18:00:00",""
"7222154","10.0213","0.0012","18.605","0.0017","9.104","0.0012","90","","109.36","0.01","90","","1601.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Au2 Cl2 N2 S4 -","- C30 H28 Au2 Cl2 N2 S4 -","- C60 H56 Au4 Cl4 N4 S8 -","2","0.5","","Isab, A.; Altaf, Muhammad; Travnicek, Zdenek; Dvořák, Zdeněk; Stoeckli-Evans, Helen; Vanco, Jan","Synthesis, characterization and in vitro cytotoxicity of gold(III) dialkyl/diaryldithiocarbamato complexes","RSC Adv.","2015","","","","","10.1039/C5RA15123F","","","0.71073","MoKα","","0.0386","0.0188","","","0.0368","0.0397","","","","","","0.772","","","","has coordinates","156354","2020-10-21","18:00:00",""
"7222166","8.6539","0.0017","8.7824","0.0018","12.894","0.003","100.9","0.03","90.99","0.03","107.77","0.03","913.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","chen, panpan; Meng, Yinggao; Yang, Qinghua; Wu, Jie; Xiao, Yuanyuan; Gorja, Dhilli Rao; Song, Chuanjun; Chang, Junbiao","Selective synthesis of 2,5-disubstituted furan-3-carboxylates and the isomeric 2,4-disubstituted furan-3-carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA14273C","","","0.71073","MoKα","","0.1873","0.1601","","","0.3531","0.3724","","","","","","1.831","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7222167","5.0662","0.0007","16.484","0.002","10.9207","0.0014","90","","100.049","0.002","90","","898","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","RRC4F","","","- C14 H12 F14 N2 O2 -","- C14 H12 F14 N2 O2 -","- C28 H24 F28 N4 O4 -","2","1","","Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako","Perfluorinated Gelators for Solidifying Fluorous Solvents：Effects of Chain Length and Molecular Chirality","RSC Adv.","2015","","","","","10.1039/C5RA12656H","","","0.71073","MoKα","","0.0378","0.0357","","","0.0913","0.093","","","","","","1.043","","","","has coordinates","156722","2020-10-21","18:00:00",""
"7222168","18.5495","0.0014","21.0121","0.0016","9.57","0.0007","90","","90","","90","","3730","0.5","93.15","","93.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","racemic CF4","","- C14 H12 F14 N2 O2 -","- C14 H12 F14 N2 O2 -","- C112 H96 F112 N16 O16 -","8","1","","Yajima, Tomoko; Tabuchi, Erika; Nogami, Emiko; Yamagishi, Akihiko; Sato, Hisako","Perfluorinated Gelators for Solidifying Fluorous Solvents：Effects of Chain Length and Molecular Chirality","RSC Adv.","2015","","","","","10.1039/C5RA12656H","","","0.71073","MoKα","","0.0623","0.0418","","","0.1362","0.1531","","","","","","1.0572","","","","has coordinates","156722","2020-10-21","18:00:00",""
"7222169","14.7234","0.0002","14.7234","0.0002","12.4759","0.0003","90","","90","","120","","2342.17","0.07","150","1","150","1","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H72 Br7 N3 Zn2 -","- C33 H72 Br6.9999 N3 Zn2 -","- C66 H144 Br13.9998 N6 Zn4 -","2","0.333333","","Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas","Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry","RSC Adv.","2015","","","","","10.1039/C5RA15736F","","","1.5418","CuKα","","0.0641","0.0536","","","0.1512","0.1646","","","","","","1.234","","","","has coordinates,has disorder","156723","2020-10-21","18:00:00",""
"7222170","8.9131","0.001","10.4346","0.0012","15.6895","0.0019","90","","104.58","0.007","90","","1412.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Br6 N2 Zn2 -","- C16 H40 Br6 N2 Zn2 -","- C32 H80 Br12 N4 Zn4 -","2","0.5","","Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas","Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry","RSC Adv.","2015","","","","","10.1039/C5RA15736F","","","0.71073","MoKα","","0.0561","0.0412","","","0.1439","0.1637","","","","","","1.143","","","","has coordinates","156723","2020-10-21","18:00:00",""
"7222171","7.5073","0.0003","19.2645","0.0009","7.5241","0.0004","90","","92.684","0.002","90","","1086.97","0.09","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 Se -","- C12 H12 N2 Se -","- C48 H48 N8 Se4 -","4","1","","Dhau, Jaspreet S.; Singh, Avtar; Singh, Amritpal; Sharma, Neha; Brandão, Paula; Félix, Vítor; Singh, Baljinder; Sharma, Vishal","A mechanistic study of the synthesis, single crystal X-ray data and anticarcinogenic potential of bis(2-pyridyl)selenides and -diselenides","RSC Adv.","2015","5","96","78669","","10.1039/C5RA15577K","","","0.71073","MoKα","","0.0481","0.0306","","","0.0583","0.064","","","","","","1.02","","","","has coordinates","156724","2020-10-21","18:00:00",""
"7222209","10.2208","0.0004","13.8422","0.0006","15.7529","0.0006","90","","92.927","0.003","90","","2225.79","0.16","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N4 O5 -","- C25 H25 N5 O4 -","- C100 H100 N20 O16 -","4","1","","Wang, Qing; Sun, Qiaomei; Tang, Peixiao; Tang, Bin; He, Jiawei; Ma, Xiaoli; Li, Hui","Determination of potential main sites of apixaban binding in human serum albumin by combined spectroscopic and docking investigations","RSC Adv.","2015","","","","","10.1039/C5RA15430H","","x-ray","0.71073","MoKα","","0.0677","0.046","","","0.1048","0.1164","","","","","","1.028","","","","has coordinates","157792","2020-10-21","18:00:00",""
"7222210","18.023","0.003","11.862","0.002","13.824","0.003","90","","90","","90","","2955.4","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H34 N6 Ni O7 -","- C29 H34 N6 Ni O7 -","- C116 H136 N24 Ni4 O28 -","4","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0703","0.0573","","","0.1225","0.1284","","","","","","1.07","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7222211","10.109","0.0014","11.2544","0.0016","12.3282","0.0017","70.576","0.002","77.903","0.002","82.21","0.003","1290.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N8 Ni2 O13 -","- C56 H52 N8 Ni2 O13 -","- C56 H52 N8 Ni2 O13 -","1","0.5","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0474","0.0413","","","0.1097","0.112","","","","","","1.004","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222212","14.6382","0.0004","14.6382","0.0004","14.6382","0.0004","90","","90","","90","","3136.63","0.15","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C30 H27 Br N6 Ni O6 Zn -","- C30 H27 Br N6 Ni O6 Zn -","- C120 H108 Br4 N24 Ni4 O24 Zn4 -","4","0.333333","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0545","0.038","","","0.0828","0.0899","","","","","","1.044","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222213","10.5786","0.0006","15.8768","0.0008","18.6358","0.0011","90","","90","","90","","3130","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 N6 Ni O5 -","- C33 H38 N6 Ni O5 -","- C132 H152 N24 Ni4 O20 -","4","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0415","0.0381","","","0.105","0.1081","","","","","","1.057","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222214","8.9712","0.0009","10.0571","0.001","18.3348","0.0019","74.582","0.001","79.407","0.001","83.071","0.001","1563","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N6 Ni O5 -","- C33 H35 N6 Ni O5 -","- C66 H70 N12 Ni2 O10 -","2","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0785","0.0509","","","0.1029","0.118","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222215","9.002","0.0005","10.228","0.0006","14.968","0.0009","78.785","0.001","84.221","0.001","78.283","0.001","1320.97","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 Ni O6 -","- C26 H30 N4 Ni O6 -","- C52 H60 N8 Ni2 O12 -","2","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0528","0.042","","","0.1131","0.145","","","","","","1.055","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222216","10.2427","0.0009","11.0898","0.001","11.866","0.001","105.912","0.001","94.252","0.001","106.096","0.001","1228.84","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 Ni O5 -","- C26 H28 N4 Ni O5 -","- C52 H56 N8 Ni2 O10 -","2","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0477","0.0431","","","0.1071","0.1109","","","","","","1.041","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222232","9.141","0.0004","9.6496","0.0007","11.1631","0.0008","75.954","0.006","80.58","0.005","74.016","0.005","913.33","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Br N2 O2 -","- C21 H19 Br N2 O2 -","- C42 H38 Br2 N4 O4 -","2","1","","Soni, Jigar Y.; Sanghvi, Shridhar; Devkar, Ranjitsinh V.; Thakore, Sonal","Synthesis and evaluation of novel quinuclidinone derivatives as potential anti-proliferative agents","RSC Adv.","2015","","","","","10.1039/C5RA15127A","","","1.5418","CuKα","","0.0483","0.0435","","","","0.1277","","","","","","1.0518","","","","has coordinates","158179","2020-10-21","18:00:00",""
"7222233","5.8724","0.0003","8.1184","0.0003","17.0501","0.001","90","","94.221","0.005","90","","810.65","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C17.5 H19.5 N O3 -","- C35 H39 N2 O6 -","2","1","","Soni, Jigar Y.; Sanghvi, Shridhar; Devkar, Ranjitsinh V.; Thakore, Sonal","Synthesis and evaluation of novel quinuclidinone derivatives as potential anti-proliferative agents","RSC Adv.","2015","","","","","10.1039/C5RA15127A","","","1.54184","CuKα","","0.0878","0.085","","","0.243","0.2507","","","","","","1.31","","","","has coordinates","158179","2020-10-21","18:00:00",""
"7222234","7.9316","0.0003","13.8355","0.0005","22.8534","0.0008","90","","98.291","0.002","90","","2481.67","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl N3 O P Pd -","- C21 H39 Cl N3 O P Pd -","- C84 H156 Cl4 N12 O4 P4 Pd4 -","4","1","","Pandey, Dilip K.; Khake, Shrikant M.; Gonnade, Rajesh G.; PUNJI, BENUDHAR","Mono- and binuclear palladacycles via regioselective C‒H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles","RSC Adv.","2015","","","","","10.1039/C5RA18289A","","","0.71073","MoKα","","0.0256","0.0241","","","0.06","0.0613","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222235","11.5217","0.0007","12.4022","0.0008","18.4419","0.0012","90","","101.27","0.002","90","","2584.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 N3 O3 P Pd -","- C23 H42 N3 O3 P Pd -","- C92 H168 N12 O12 P4 Pd4 -","4","1","","Pandey, Dilip K.; Khake, Shrikant M.; Gonnade, Rajesh G.; PUNJI, BENUDHAR","Mono- and binuclear palladacycles via regioselective C‒H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles","RSC Adv.","2015","","","","","10.1039/C5RA18289A","","","0.71073","MoKα","","0.022","0.0204","","","0.0541","0.0558","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222236","16.5228","0.0014","10.2622","0.0009","14.7716","0.0013","90","","110.312","0.003","90","","2348.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl N O P Pd -","- C25 H29 Cl N O P Pd -","- C100 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Pandey, Dilip K.; Khake, Shrikant M.; Gonnade, Rajesh G.; PUNJI, BENUDHAR","Mono- and binuclear palladacycles via regioselective C‒H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles","RSC Adv.","2015","","","","","10.1039/C5RA18289A","","","0.71073","MoKα","","0.017","0.0167","","","0.0428","0.043","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222237","10.7002","0.0003","15.0417","0.0004","15.7925","0.0004","90","","99.128","0.001","90","","2509.6","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N O3 P Pd -","- C27 H32 N O3 P Pd -","- C108 H128 N4 O12 P4 Pd4 -","4","1","","Pandey, Dilip K.; Khake, Shrikant M.; Gonnade, Rajesh G.; PUNJI, BENUDHAR","Mono- and binuclear palladacycles via regioselective C‒H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles","RSC Adv.","2015","","","","","10.1039/C5RA18289A","","","0.71073","MoKα","","0.0317","0.0294","","","0.0648","0.066","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222238","11.119","0.0002","11.0743","0.0003","21.2441","0.0005","90","","99.941","0.001","90","","2576.62","0.1","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H64 N2 O6 P2 Pd2 -","- C54 H64 N2 O6 P2 Pd2 -","- C108 H128 N4 O12 P4 Pd4 -","2","0.5","","Pandey, Dilip K.; Khake, Shrikant M.; Gonnade, Rajesh G.; PUNJI, BENUDHAR","Mono- and binuclear palladacycles via regioselective C‒H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles","RSC Adv.","2015","","","","","10.1039/C5RA18289A","","","0.71073","MoKα","","0.062","0.0452","","","0.0744","0.0805","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222242","14.91","0.003","35.478","0.007","7.4293","0.0015","90","","99.21","0.03","90","","3879.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 -","- C41 H42 Cl2 N2 O10 -","- C164 H168 Cl8 N8 O40 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.061","0.043","","","0.0966","0.1068","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222243","6.6251","0.0013","34.49","0.007","8.4698","0.0017","90","","95.75","0.03","90","","1925.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O5 -","- C21 H20 Cl N O5 -","- C84 H80 Cl4 N4 O20 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0655","0.0424","","","0.0955","0.1065","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222245","15.035","0.003","7.2113","0.0014","11.025","0.002","90","","106.86","0.03","90","","1144","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N O4 -","- C11 H13 Cl N O4 -","- C44 H52 Cl4 N4 O16 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0508","0.0353","","","0.0886","0.0979","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222246","6.1768","0.0012","7.5101","0.0015","19.092","0.004","79.43","0.03","82.9","0.03","84.25","0.03","861.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C36 H40 Cl2 N2 O8 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0484","0.0385","","","0.0985","0.1045","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222247","5.49","0.0011","13.4","0.003","28.91","0.006","90","","90.9","0.03","90","","2126.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N O6 S -","- C20 H28 Cl N O6 S -","- C80 H112 Cl4 N4 O24 S4 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.1152","0.068","","","0.1291","0.1444","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222248","11.8675","0.0004","15.6072","0.0004","12.2828","0.0004","90","","112.86","0.001","90","","2096.32","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0818","0.0448","","","0.103","0.1192","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222249","11.8056","0.0014","15.6491","0.0019","12.2647","0.0015","90","","111.724","0.002","90","","2104.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1381","0.0706","","","0.1391","0.1653","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222250","9.78","0.002","11.388","0.002","11.566","0.002","115.12","0.03","101.58","0.03","104.11","0.03","1061.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0842","0.0503","","","0.1284","0.1481","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222251","8.87","0.002","10.41","0.003","16.836","0.005","76.16","0.005","88.162","0.006","76.165","0.006","1465.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(9-10-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)anthracene).2(2,3-Lutidine)","","","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1439","0.0606","","","0.1323","0.1683","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222252","8.815","0.0018","10.541","0.002","16.794","0.003","75.3","0.03","88.23","0.03","76.92","0.03","1469.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3)","","","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1522","0.0739","","","0.1854","0.2235","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222253","10.964","0.002","14.24","0.003","20.271","0.004","109.78","0.03","97.99","0.03","95","0.03","2918.5","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1163","0.0702","","","0.1942","0.2256","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222254","7.745","0.0004","10.1392","0.0004","12.8039","0.0006","87.03","0.002","74.328","0.002","74.741","0.002","933.76","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0683","0.0425","","","0.1027","0.1151","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222255","7.6847","0.0003","10.8142","0.0005","12.3664","0.0005","77.867","0.002","77.131","0.002","70.639","0.002","934.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene.2(3,4-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0623","0.0407","","","0.0974","0.1075","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222256","12.817","0.0011","7.3554","0.0006","11.1126","0.0008","90","","98.49","0.003","90","","1036.15","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O8 -","- C22 H22 N2 O8 -","- C44 H44 N4 O16 -","2","0.5","","Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D","Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction.","Physical chemistry chemical physics : PCCP","2015","17","41","27665","27671","10.1039/c5cp04201a","","","0.71073","MoKα","","0.0503","0.037","","","0.0934","0.1022","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222257","4.7273","0.0006","13.5885","0.0016","20.003","0.003","90","","96.613","0.007","90","","1276.4","0.3","298","2","298","2","","","","","","","synthesized","3","P 1 21/c 1","-P 2ybc","14","3a","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.","A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C‒S bond cleavage of naphthalene-2-ol sulfides","RSC Adv.","2015","5","97","79759","","10.1039/C5RA14563E","","x-ray","0.71073","MoKα","","0.0903","0.0458","","","0.1169","0.1452","","","","","","0.845","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222258","13.1085","0.0006","7.3865","0.0004","16.4008","0.0007","90","","107.548","0.003","90","","1514.12","0.13","298","2","298","2","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","2n","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Islam, Kobirul; Sidick Basha, R.; Dar, Ajaz A.; Das, Deb K.; Khan, Abu T.","A direct approach for the expedient synthesis of unsymmetrical ethers by employing bromodimethylsulfonium bromide (BDMS) mediated C‒S bond cleavage of naphthalene-2-ol sulfides","RSC Adv.","2015","5","97","79759","","10.1039/C5RA14563E","","x-ray","0.71073","MoKα","","0.1849","0.0464","","","0.0871","0.117","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222259","11.1506","0.0011","16.0135","0.0016","16.0539","0.0012","90","","124.571","0.005","90","","2360.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Br N4 Ni O5 -","- C22 H27 Br N4 Ni O5 -","- C88 H108 Br4 N16 Ni4 O20 -","4","1","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.1056","0.0625","","","0.1479","0.1699","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222260","12.166","0.002","13.298","0.002","13.414","0.002","90","","90","","90","","2170.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N4 Ni O4 -","- C20 H21 Br N4 Ni O4 -","- C80 H84 Br4 N16 Ni4 O16 -","4","1","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.0824","0.0631","","","0.1529","0.1663","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222261","9.2513","0.0009","10.0437","0.001","17.4014","0.0017","76.912","0.002","89.341","0.002","79.841","0.002","1549.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H54 Br4 N8 Ni4 O19 -","- C56 H54 Br4 N8 Ni4 O19 -","- C56 H54 Br4 N8 Ni4 O19 -","1","0.5","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.0645","0.0472","","","0.1117","0.1243","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222262","8.8813","0.0018","17.915","0.004","17.223","0.003","90","","96.942","0.004","90","","2720.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H29 Br N5 Ni O5 -","- C20 H20 Br N4 Ni O4 -","- C80 H80 Br4 N16 Ni4 O16 -","4","1","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.1345","0.0781","","","0.2014","0.2274","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222264","20.28","0.003","7.5025","0.0012","20.478","0.003","90","","99.022","0.003","90","","3077.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd2 F8 N4 O8 -","- C28 H18 Cd2 F8 N4 O8 -","- C112 H72 Cd8 F32 N16 O32 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0967","0.0841","","","0.2181","0.2236","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222265","10.102","0.0018","9.3434","0.0017","11.929","0.002","90","","91.259","0.003","90","","1125.7","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 F4 N4 Ni O4 -","- C20 H18 F4 N4 Ni O4 -","- C40 H36 F8 N8 Ni2 O8 -","2","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0604","0.0541","","","0.156","0.1607","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222266","9.437","0.002","11.304","0.004","11.371","0.003","116.906","0.005","113.912","0.004","92.898","0.006","947.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0911","0.076","","","0.1932","0.2182","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222267","9.2303","0.0013","11.4497","0.0015","11.7396","0.0015","119.054","0.002","90.297","0.002","111.767","0.002","980.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.061","0.0522","","","0.1316","0.1411","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222268","8.908","0.004","12.428","0.005","32.131","0.013","93.525","0.007","95.154","0.007","92.39","0.007","3532","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cd3 F12 N12 O15 -","- C63 H66 Cd3 F12 N12 O15 -","- C126 H132 Cd6 F24 N24 O30 -","2","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0842","0.0545","","","0.1275","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222269","11.045","0.002","16.273","0.003","14.238","0.003","90","","111.342","0.003","90","","2383.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cd F4 N4 O5 -","- C21 H22 Cd F4 N4 O5 -","- C84 H88 Cd4 F16 N16 O20 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.1287","0.0747","","","0.1684","0.1967","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222270","5.678","0.001","5.6456","0.0007","32.491","0.012","90","","93.09","0.02","90","","1040","0.4","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.1305","0.0954","","","0.2314","0.2598","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222271","5.7123","0.0019","5.7076","0.0017","33.016","0.018","90","","93.68","0.05","90","","1074.2","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.2607","0.0769","","","0.1598","0.2016","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222272","8.7694","0.0005","7.5097","0.0004","22.9574","0.0013","90","","91.757","0.003","90","","1511.16","0.15","100","2","99.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pyr-T_IPFB","","","- C15 H7 F5 I N S -","- C15 H7 F5 I N S -","- C60 H28 F20 I4 N4 S4 -","4","1","","Wilson, Jamey; Williams, Jon; Petkovsek, Chesney; Reves, Peyton; Jurss, Jonah W.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Synergistic Effects of Halogen Bond and π-π Interactions in Thiophene-based Building Blocks","RSC Adv.","2015","","","","","10.1039/C5RA16680B","","","0.71073","MoKα","","0.0171","0.0158","","","0.0371","0.0377","","","","","","1.146","","","","has coordinates,has disorder","158248","2020-10-21","18:00:00",""
"7222273","10.6759","0.0006","7.0765","0.0004","14.7557","0.0009","90","","96.369","0.004","90","","1107.88","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cu N4 O6 -","- C24 H20 Cu N4 O6 -","- C48 H40 Cu2 N8 O12 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0473","0.0367","","","0.0684","0.0713","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222274","6.1974","0.0007","7.3044","0.0009","13.1416","0.0016","91.394","0.005","102.247","0.005","101.071","0.005","569.23","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cu N4 O8 -","- C20 H26 Cu N4 O8 -","- C20 H26 Cu N4 O8 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0407","0.0387","","","0.1184","0.1222","","","","","","1.034","","","","has coordinates","158249","2020-10-21","18:00:00",""
"7222275","8.3981","0.0007","9.6705","0.0009","12.5186","0.0009","73.944","0.007","86.252","0.006","67.507","0.009","901.76","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu N2 O7 S -","- C16 H18 Cu N2 O7 S -","- C32 H36 Cu2 N4 O14 S2 -","2","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0651","0.043","","","0.0734","0.0852","","","","","","1.027","","","","has coordinates","158249","2020-10-21","18:00:00",""
"7222276","6.8784","0.0008","7.0931","0.0008","27.221","0.003","90","","90.61","0.003","90","","1328","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 Ni O6 -","- C14 H12 N2 Ni O6 -","- C56 H48 N8 Ni4 O24 -","4","1","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0887","0.0658","","","0.1902","0.2031","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222277","6.2331","0.0006","7.2148","0.0006","13.115","0.0012","90.288","0.005","101.143","0.005","100.988","0.005","567.52","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N4 Ni O8 -","- C20 H26 N4 Ni O8 -","- C20 H26 N4 Ni O8 -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0754","0.0738","","","0.188","0.1888","","","","","","1.015","","","","has coordinates","158249","2020-10-21","18:00:00",""
"7222278","7.7539","0.0006","9.7058","0.0008","13.6203","0.001","75.256","0.005","79.97","0.005","72.318","0.005","939.22","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O6 Zn -","- C40 H40 N6 O6 Zn -","- C40 H40 N6 O6 Zn -","1","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0491","0.0358","","","0.0818","0.0882","","","","","","1.008","","","","has coordinates","158249","2020-10-21","18:00:00",""
"7222279","9.3108","0.0003","7.1558","0.0002","19.0122","0.0006","90","","94.749","0.002","90","","1262.36","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cu N4 O8 -","- C22 H30 Cu N4 O8 -","- C44 H60 Cu2 N8 O16 -","2","0.5","","Baruah, Jubaraj Bikash; Tarai, Arup","Study on divalent copper, nickel and zinc model complexes for fluoride ions detection","RSC Adv.","2015","","","","","10.1039/C5RA18559A","","","0.71073","MoKα","","0.0602","0.0526","","","0.1438","0.1537","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222280","5.2504","0.0004","8.6355","0.0007","10.3202","0.0008","86.763","0.005","85.077","0.005","82.392","0.004","461.6","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H30 O6 P2 Sn -","- C12 H30 O6 P2 Sn -","- C12 H30 O6 P2 Sn -","1","0.5","","Shankar, Ravi; Asija, Meenal; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Shestakova, Pavletta","Growth modulation of bent micro crystals to single crystals in a one-dimensional coordination framework","RSC Adv.","2015","5","98","80501","","10.1039/C5RA14510D","","","0.71073","MoKα","","0.0612","0.041","","","0.0782","0.0844","","","","","","1.036","","","","has coordinates","158250","2020-10-21","18:00:00",""
"7222281","25.265","0.0013","14.1121","0.001","14.5519","0.0009","90","","92.961","0.005","90","","5181.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 N2 O6 -","- C31 H21 N2 O6 -","- C248 H168 N16 O48 -","8","1","","Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal","Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction","RSC Adv.","2015","5","98","80518","","10.1039/C5RA15405G","","","0.71073","MoKα","","0.1408","0.1076","","","0.2509","0.2682","","","","","","1.087","","","","has coordinates","158251","2020-10-21","18:00:00",""
"7222282","11.2256","0.0002","12.7218","0.0003","16.4454","0.0003","90","","103.055","0.002","90","","2287.86","0.08","120","0.1","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N O6 -","- C29 H19 N O6 -","- C116 H76 N4 O24 -","4","1","","Alizadeh, Abdolali; Ghanbaripour, Rashid; Feizabadi, Masoumeh; Zhu, Long-Guan; Dusek, Michal","Synthesis of 3-[(coumarinyl)carbonyl]-3a,8b-dihyroindeno[1,2-b]pyrrole-4(1H)-ones and their conversion to coumarin bearing spiro[isobenzofuran-1,2′-pyrrole] moiety compounds via oxidative cleavage reaction","RSC Adv.","2015","5","98","80518","","10.1039/C5RA15405G","","x-ray","1.54184","CuKα","","0.0384","0.0348","","","0.107","0.1104","","","","1.79","1.79","1.74","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222283","11.051","","15.58","","21.736","","90","","90","","90","","3742.39","","293","2","293","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C16 H20 Cl Cu N3 O7 -","- C16 H20 Cl Cu N3 O7 -","- C128 H160 Cl8 Cu8 N24 O56 -","8","1","","AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila","A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides","RSC Adv.","2015","","","","","10.1039/C5RA10819E","","x-ray","0.71073","MoKα","","0.0827","0.0484","","","0.1076","0.1245","","","","","","1.051","","","","has coordinates","158252","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222286","8.5776","0.0003","6.352","0.0002","19.1584","0.0008","90","","91.364","0.0009","90","","1043.55","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C40 H50 N2 O18 S2 -","2","1","","Markad, Pramod R.; Rohokale, Rajendra S.; Pawar, Nitin J.; Dhavale, Dilip Dattatray","D-Glucose Based Synthesis of Proline-Serine C-C Linked Central and Right Hand Core of Kaitocephalin-a Glutamate Receptor Antagonist","RSC Adv.","2015","","","","","10.1039/C5RA17442B","","","0.71073","MoKα","","0.1095","0.0574","","","0.0858","0.0992","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222287","8.9673","0.0014","9.3214","0.0015","11.9354","0.0019","107.566","0.002","103.414","0.002","92.688","0.002","917.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","11,12-Dimethyl-5-(4-methylbenzenesulfonyl)-2,8,10,13-tetrathia-5-azatricyclo[7.4.0.03,7]trideca-1(9),3,6,11-tetraen","","- C17 H15 N O2 S5 -","- C17 H15 N O2 S5 -","- C34 H30 N2 O4 S10 -","2","1","","Korsching, Kai R.; Schäfer, Hannes; Schönborn, Josefine; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Azov, Vladimir A.","Enhancement of Electron-donating Character in Alkylated Monopyrrolo-tetrathiafultvalene Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA19012F","","","0.71073","MoKα","","0.0303","0.029","","","0.0816","0.0828","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222288","7.8445","0.0019","8.762","0.002","12.265","0.003","86.427","0.003","81.337","0.003","81.142","0.003","822.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Dimethyl-1,3-dithiol-2-ylidene]-5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C17 H15 N O S4 -","- C17 H15 N O S4 -","- C34 H30 N2 O2 S8 -","2","1","","Korsching, Kai R.; Schäfer, Hannes; Schönborn, Josefine; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Azov, Vladimir A.","Enhancement of Electron-donating Character in Alkylated Monopyrrolo-tetrathiafultvalene Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA19012F","","","0.71073","MoKα","","0.032","0.0288","","","0.0821","0.085","","","","","","1.038","","","","has coordinates","158273","2020-10-21","18:00:00",""
"7222289","12.739","0.005","5.382","0.002","24.848","0.01","90","","103.362","0.006","90","","1657.5","1.1","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl N O2 S2 -","- C16 H15 Cl N O2 S2 -","- C64 H60 Cl4 N4 O8 S8 -","4","1","","shi, liping; zhang, qian; gan, fengjiao; Zhang, Rui; ding, yuanli; liu, chun; Dong, Dewen","PBr3-Mediated [5+1]Annulation of alpha-Alkenoyl-alpha-Carbamoyl Ketene-S,S-acetals: Access to Substituted Pyridine-2,6(1H,3H)-diones","RSC Adv.","2015","","","","","10.1039/C5RA13498F","","","0.71073","MoKα","","0.1157","0.0636","","","0.1236","0.1423","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222290","8.2071","0.0013","27.176","0.004","14.26","0.002","90","","103.488","0.005","90","","3092.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 Cl N4 O5 -","- C35 H29 Cl N4 O5 -","- C140 H116 Cl4 N16 O20 -","4","1","","Zhang, Jing; Sun, Jing; Yan, Chao Guo","Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction","RSC Adv.","2015","","","","","10.1039/C5RA15139B","","","0.71073","MoKα","","0.1027","0.0531","","","0.1341","0.1584","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222291","10.573","0.002","13.505","0.003","25.317","0.006","92.856","0.006","93.307","0.005","94.257","0.006","3593.7","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Br Cl N4 O5 -","- C39 H28 Br Cl N4 O5 -","- C156 H112 Br4 Cl4 N16 O20 -","4","2","","Zhang, Jing; Sun, Jing; Yan, Chao Guo","Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction","RSC Adv.","2015","","","","","10.1039/C5RA15139B","","","0.71073","MoKα","","0.2621","0.0786","","","0.1234","0.1702","","","","","","0.987","","","","has coordinates","158300","2020-10-21","18:00:00",""
"7222292","10.7565","0.0016","12.24","0.002","14.678","0.002","82.406","0.005","69.137","0.005","64.352","0.005","1627.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O4 -","- C39 H32 N4 O4 -","- C78 H64 N8 O8 -","2","1","","Zhang, Jing; Sun, Jing; Yan, Chao Guo","Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction","RSC Adv.","2015","","","","","10.1039/C5RA15139B","","","0.71073","MoKα","","0.1203","0.0583","","","0.1306","0.1575","","","","","","1.047","","","","has coordinates","158300","2020-10-21","18:00:00",""
"7222293","10.963","0.002","12.057","0.003","12.362","0.003","83.195","0.008","66.986","0.007","81.841","0.007","1485.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 N3 O6 -","- C34 H25 N3 O6 -","- C68 H50 N6 O12 -","2","1","","Zhang, Jing; Sun, Jing; Yan, Chao Guo","Efficient synthesis of functionalized spiro[indoline-3,4'-pyridines] and spiro[indene-2,4'-pyridines] via three-component reaction","RSC Adv.","2015","","","","","10.1039/C5RA15139B","","","0.71073","MoKα","","0.1735","0.0681","","","0.1395","0.1758","","","","","","1.003","","","","has coordinates","158300","2020-10-21","18:00:00",""
"7222294","8.7065","0.0017","13.352","0.003","11.519","0.002","90","","99.24","0.03","90","","1321.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 I N3 O0 -","- C14 H12 I N3 -","- C56 H48 I4 N12 -","4","1","","sun, kai; Ma, Fengji; Liu, Lulu; Sun, Jingjing; Liu, Xin; Wang, Yachao; Zhang, Zhiguo; Zhang, Guisheng","Iodine-Mediated Regioselective C‒N and C‒I Bonds Formation of Alkenes","RSC Adv.","2015","","","","","10.1039/C5RA14407H","","","0.71073","MoKα","","0.0382","0.0355","","","0.1164","0.1197","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222295","7.4145","0.0006","16.0955","0.0016","11.8314","0.001","90","","105.632","0.009","90","","1359.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzenesulfonohydrazide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Arshad, Muhammad Nadeem; Rahman, Mohammed M.; Asiri, Abdullah M.; Sobahi, Tariq R.; Yu, Shu-Hong","Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation","RSC Adv.","2015","5","99","81275","","10.1039/C5RA09399F","","","0.71073","MoKα","","0.0735","0.0493","","","0.1193","0.1369","","","","","","1.069","","","","has coordinates","158302","2020-10-21","18:00:00",""
"7222296","9.3177","0.0004","9.3177","0.0004","9.3177","0.0004","90","","90","","90","","808.96","0.06","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","silver molybdate","disilver dioxido(dioxo)molybdenum","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S.","Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents","CrystEngComm","2015","17","43","8207","","10.1039/C5CE01662B","powder diffraction","x-ray","1.5405","CuKα","","0.0854","0.0922","","","0.1273","","0.04395","","1.38","","","1.38","","","","has coordinates","265250","2021-05-15","21:31:22",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7222298","5.9879","0.0005","19.2936","0.0013","13.5403","0.0009","90","","90.795","0.007","90","","1564.1","0.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N4 O2 -","- C16 H28 N4 O2 -","- C64 H112 N16 O8 -","4","1","","Camus, Nathalie; Halme, Zakaria; Nathalie, Le Bris; Bernard, Hélène; Beyler, Maryline; Platas-Iglesias, Carlos; Tripier, Raphael","A [Two-Steps / One Week] Synthesis of C-Functionalized Homocyclens and Cyclams. Application to the Preparation of Conjugable BCAs without Chelating Properties Alteration","RSC Adv.","2015","","","","","10.1039/C5RA17133D","","x-ray","0.71073","MoKα","","0.1647","0.0534","","","0.0711","0.0903","","","","","","0.842","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222299","11.7908","0.0008","10.4516","0.0008","12.3326","0.0008","90","","97.971","0.006","90","","1505.1","0.18","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 N4 O2 -","- C15 H26 N4 O2 -","- C60 H104 N16 O8 -","4","1","","Camus, Nathalie; Halme, Zakaria; Nathalie, Le Bris; Bernard, Hélène; Beyler, Maryline; Platas-Iglesias, Carlos; Tripier, Raphael","A [Two-Steps / One Week] Synthesis of C-Functionalized Homocyclens and Cyclams. Application to the Preparation of Conjugable BCAs without Chelating Properties Alteration","RSC Adv.","2015","","","","","10.1039/C5RA17133D","","x-ray","0.71073","MoKα","","0.0896","0.0383","","","0.0634","0.0701","","","","","","0.805","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222300","19.2249","0.0008","13.6646","0.0005","6.0897","0.0002","90","","90","","90","","1599.77","0.1","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl N4 O -","- C16 H27 Cl N4 O -","- C64 H108 Cl4 N16 O4 -","4","1","","Camus, Nathalie; Halme, Zakaria; Nathalie, Le Bris; Bernard, Hélène; Beyler, Maryline; Platas-Iglesias, Carlos; Tripier, Raphael","A [Two-Steps / One Week] Synthesis of C-Functionalized Homocyclens and Cyclams. Application to the Preparation of Conjugable BCAs without Chelating Properties Alteration","RSC Adv.","2015","","","","","10.1039/C5RA17133D","","x-ray","0.71073","MoKα","","0.0533","0.0428","","","0.0984","0.102","","","","","","1.01","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222301","20.5138","0.001","20.5138","","17.81","0.0008","90","","90","","90","","7494.7","0.5","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C25 H37 N3 O18 Zn3 -","- C21 H15 N O15 Zn3 -","- C168 H120 N8 O120 Zn24 -","8","0.5","","liu, jianqiang; Wang, Jiaping; Jin, Juncheng; Li, Fumei; Li, Baohong; Jin, Jie; Wang, Chun-Feng; Zeng, Yong-Ping; Wang, Yu-Kun","A combined experimental and theoretical insight into the drug delivery of nanoporous metal-organic frameworks","RSC Adv.","2015","","","","","10.1039/C5RA12543J","","","0.71073","MoKα","","0.0357","0.0319","","","0.09","0.0924","","","","","","1.092","","","","has coordinates,has disorder","158422","2020-10-21","18:00:00",""
"7222302","8.3781","0.0002","49.2719","0.0009","9.1582","0.0002","90","","115.792","0.002","90","","3403.93","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H40 N2 O2 -","- C45 H40 N2 O2 -","- C180 H160 N8 O8 -","4","2","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0495","0.0472","","","0.112","0.1131","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222303","9.0299","0.0002","10.5552","0.0002","20.7459","0.0003","90","","94.859","0.002","90","","1970.24","0.06","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H44 Cl2 N2 O2 -","- C47 H44 Cl2 N2 O2 -","- C94 H88 Cl4 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0366","0.0364","","","0.107","0.1073","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222304","10.4884","0.0002","19.767","0.0003","20.309","0.0003","90","","90","","90","","4210.55","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Cl2 N2 O2 -","- C49 H48 Cl2 N2 O2 -","- C196 H192 Cl8 N8 O8 -","4","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0452","0.0449","","","0.1355","0.1362","","","","","","1.026","","","","has coordinates,has disorder","158423","2020-10-21","18:00:00",""
"7222305","9.4437","0.0001","15.706","0.0002","13.4756","0.0002","90","","93.428","0.001","90","","1995.16","0.04","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H44 N2 O2 -","- C54 H44 N2 O2 -","- C108 H88 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.031","0.0309","","","0.0787","0.0789","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222306","13.2132","0.0005","9.3519","0.0003","17.3912","0.0007","90","","107.395","0.004","90","","2050.72","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H44 N2 O2 -","- C56 H44 N2 O2 -","- C112 H88 N4 O4 -","2","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","0.71073","MoKα","","0.0471","0.0362","","","0.0687","0.0726","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222307","15.5124","0.0005","18.0557","0.0006","26.2035","0.0009","90","","100.873","0.003","90","","7207.5","0.4","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 K N4 Nd O5 -","- C72 H108 K N4 Nd O5 -","- C288 H432 K4 N16 Nd4 O20 -","4","1","","Zhang, min; Zhang, Jingjing; NI, Xufeng; Shen, Zhiquan","Bis(phenolate) N-Heterocyclic Carbene Rare Earth Metal Complexes: Synthesis, characterization and Applications in the Polymerization of n-Hexyl Isocyanate","RSC Adv.","2015","","","","","10.1039/C5RA16447H","","","0.71073","MoKα","","0.0703","0.0414","","","0.0834","0.0953","","","","","","1.051","","","","has coordinates","158424","2020-10-21","18:00:00",""
"7222308","18.2347","0.0005","18.5751","0.0004","21.1019","0.0005","75.4933","0.0018","65.628","0.002","76.527","0.002","6234.5","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H153 Cl3 N6 O6 Sm2 -","- C102 H153 Cl3 N6 O6 Sm2 -","- C204 H306 Cl6 N12 O12 Sm4 -","2","1","","Zhang, min; Zhang, Jingjing; NI, Xufeng; Shen, Zhiquan","Bis(phenolate) N-Heterocyclic Carbene Rare Earth Metal Complexes: Synthesis, characterization and Applications in the Polymerization of n-Hexyl Isocyanate","RSC Adv.","2015","","","","","10.1039/C5RA16447H","","","0.71073","MoKα","","0.0673","0.0465","","","0.124","0.1355","","","","","","1.078","","","","has coordinates","158425","2020-10-21","18:00:00",""
"7222315","8.2775","0.0008","14.9469","0.0015","20.733","0.002","90","","98.852","0.002","90","","2534.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 Nd O9 S -","- C24 H17 N4 Nd O9 S -","- C96 H68 N16 Nd4 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0455","0.0388","","","0.1005","0.1044","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222316","8.2415","0.0008","14.9167","0.0015","20.773","0.002","90","","98.86","0.002","90","","2523.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 O9 S Sm -","- C24 H17 N4 O9 S Sm -","- C96 H68 N16 O36 S4 Sm4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0337","0.0267","","","0.0604","0.0636","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222317","8.2038","0.0009","14.8931","0.0017","20.772","0.002","90","","98.813","0.002","90","","2508","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Gd N4 O9 S -","- C24 H17 Gd N4 O9 S -","- C96 H68 Gd4 N16 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.04","0.0283","","","0.0608","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222319","9.07","0.0011","9.0825","0.0011","14.4882","0.0017","95.756","0.002","91.454","0.002","99.401","0.002","1170.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C48 H38 N8 O16 Pr2 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0317","0.0276","","","0.0596","0.0623","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222320","9.0064","0.0009","9.0831","0.001","14.4399","0.0014","95.147","0.002","91.28","0.002","99.076","0.001","1161","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Sm -","- C24 H19 N4 O8 S Sm -","- C48 H38 N8 O16 S2 Sm2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0265","0.0241","","","0.0552","0.057","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222321","8.9637","0.0011","9.0728","0.001","14.4541","0.0017","94.827","0.002","91.126","0.002","98.795","0.002","1156.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Gd N4 O8 S -","- C24 H19 Gd N4 O8 S -","- C48 H38 Gd2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0282","0.0246","","","0.0522","0.0543","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222322","8.9094","0.0014","9.0407","0.0014","14.458","0.002","94.501","0.002","91.024","0.003","98.578","0.003","1147.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Dy N4 O8 S -","- C24 H19 Dy N4 O8 S -","- C48 H38 Dy2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0449","0.0354","","","0.0678","0.0721","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222323","8.895","0.0014","9.0742","0.0014","14.465","0.002","94.25","0.002","91.157","0.003","97.971","0.002","1152.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Ho N4 O8 S -","- C24 H19 Ho N4 O8 S -","- C48 H38 Ho2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0444","0.0361","","","0.0692","0.0725","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222324","8.872","0.007","9.023","0.008","14.475","0.012","94.059","0.016","91.016","0.014","98.053","0.016","1144","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Er N4 O8 S -","- C24 H17 Er N4 O8 S -","- C48 H34 Er2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.18","0.0987","","","0.1945","0.236","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222325","8.8933","0.0019","9.0472","0.0019","14.467","0.003","94.285","0.004","90.906","0.004","98.511","0.004","1147.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Y -","- C24 H19 N4 O8 S Y -","- C48 H38 N8 O16 S2 Y2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0736","0.05","","","0.1063","0.1189","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222326","13.6008","0.0012","13.5013","0.0012","13.133","0.0012","90","","96.231","0.001","90","","2397.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C96 H76 N16 O32 Pr4 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0274","0.0216","","","0.0456","0.0475","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222327","17.9503","0.0015","11.2846","0.0006","9.2574","0.0005","90","","119.709","0.007","90","","1628.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H28 N6 O6 Zn -","- C36 H28 N6 O6 Zn -","- C72 H56 N12 O12 Zn2 -","2","0.25","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.087","0.0656","","","0.1461","0.1567","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222328","9.4863","0.0009","9.8132","0.0009","11.1496","0.0011","68.615","0.009","89.254","0.008","63.457","0.01","850.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","1","0.5","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0617","0.0516","","","0.1267","0.1334","","","","","","0.921","","","","has coordinates","171054","2020-10-21","18:00:00",""
"7222329","9.3515","0.0006","26.1628","0.0012","10.141","0.0006","90","","113.673","0.007","90","","2272.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N4 O7 Pb -","- C19 H19 N4 O7 Pb -","- C76 H76 N16 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0662","0.0505","","","0.1198","0.1316","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222330","12.7971","0.0009","11.8723","0.001","20.1498","0.0017","90","","121.569","0.006","90","","2608.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N6 O7 Pb -","- C25 H23 N6 O7 Pb -","- C100 H92 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0795","0.054","","","0.1161","0.1294","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222331","12.0677","0.0004","18.149","0.0004","12.1215","0.0004","90","","110.818","0.004","90","","2481.49","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O7 Pb -","- C24 H21.38 N6 O7 Pb -","- C96 H85.52 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0347","0.0269","","","0.0634","0.066","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222343","23.738","0.002","5.1422","0.0004","12.9446","0.0011","90","","105.153","0.007","90","","1525.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 Br N O3 -","- C14 H19 Br N O3 -","- C56 H76 Br4 N4 O12 -","4","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.0861","0.0667","","","0.1685","0.1815","","","","","","1.065","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222344","5.1112","0.0003","10.022","0.0006","15.558","0.0009","90","","95.979","0.002","90","","792.61","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br F2 N O3 -","- C14 H18 Br F2 N O3 -","- C28 H36 Br2 F4 N2 O6 -","2","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.041","0.0329","","","0.0708","0.0774","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222345","5.1123","0.0001","13.3078","0.0003","22.6516","0.0006","90","","90","","90","","1541.07","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 I N O3 -","- C14 H20 I N O3 -","- C56 H80 I4 N4 O12 -","4","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.0249","0.0241","","","0.0601","0.0605","","","","","","0.941","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222346","8.012","0.0002","12.0546","0.0003","14.3104","0.0004","75.328","0.001","89.128","0.001","89.831","0.001","1336.9","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br F N O3 -","- C13 H15 Br F N O3 -","- C52 H60 Br4 F4 N4 O12 -","4","2","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","","0.71073","MoKα","","0.0422","0.0394","","","0.0974","0.0994","","","","","","1.144","","","","has coordinates","159037","2020-10-21","18:00:00",""
"7222347","8.9739","0.0007","9.4407","0.0006","11.7436","0.0008","92.162","0.005","96.638","0.006","104.282","0.006","955.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0587","0.05","","","0.1235","0.1294","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222348","8.7304","0.0007","9.6666","0.0009","13.3193","0.001","96.972","0.007","100.487","0.006","104.709","0.007","1052.33","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0767","0.0575","","","0.1416","0.1574","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222349","10.1464","0.0011","14.2825","0.0014","15.3309","0.0017","111.046","0.01","97.101","0.009","101.812","0.009","1981.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C36 H43 Ag2 B2 F8 N9 -","- C36 H43 Ag2 B2 F8 N9 -","- C72 H86 Ag4 B4 F16 N18 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.1015","0.0575","","","0.1281","0.1592","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222350","10.037","0.0005","14.3332","0.0006","15.4185","0.0008","111.125","0.004","97.059","0.004","100.307","0.004","1992.81","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C37 H46 Ag2 B2 F8 N8 O -","- C37 H46 Ag2 B2 F8 N8 O -","- C74 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0745","0.0504","","","0.1197","0.1386","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222351","9.8865","0.0005","14.2717","0.0008","15.4908","0.0008","109.722","0.005","96.569","0.004","101.58","0.004","1975.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C36 H46 Ag2 B2 F8 N8 O -","- C36 H46 Ag2 B2 F8 N8 O -","- C72 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0882","0.0662","","","0.1768","0.1919","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222352","8.907","0.0004","9.6544","0.0004","12.2203","0.0005","92.845","0.002","103.284","0.002","101.842","0.002","995.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","1.54178","CuKα","","0.0471","0.0388","","","0.0895","0.0931","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222353","9.458","0.002","10.741","0.003","11.55","0.003","72.789","0.004","81.884","0.004","68.844","0.004","1044.5","0.5","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Pan, Xiaolin; Wang, He; xia, hongguang; Wu, Jie","An unexpected three-component reaction of 2-alkylenecyclobutanone, N'-(2-alkynylbenzylidene)hydrazide with water","RSC Adv.","2015","","","","","10.1039/C5RA17787A","","","0.71073","MoKα","","0.0691","0.0555","","","0.1621","0.1837","","","","","","1.063","","","","has coordinates","159055","2020-10-21","18:00:00",""
"7222354","10.601","0.0017","17.872","0.003","21.185","0.004","90","","96.196","0.003","90","","3990.3","1.2","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 Cd3 N16 O26 S2 -","- C72 H84 Cd3 N16 O26 S2 -","- C144 H168 Cd6 N32 O52 S4 -","2","0.5","","Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun","Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies","RSC Adv.","2015","5","101","82781","","10.1039/C5RA14734D","","x-ray","0.71073","MoKα","","0.0666","0.0416","","","0.0938","0.1185","","","","","","1.038","","","","has coordinates,has disorder","159056","2020-10-21","18:00:00",""
"7222355","37.955","0.01","10.455","0.005","24.091","0.005","90","","109.55","0.005","90","","9009","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 Cd3 N20 O17 S2 -","- C86 H80 Cd3 N20 O17 S2 -","- C344 H320 Cd12 N80 O68 S8 -","4","0.5","","Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun","Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies","RSC Adv.","2015","5","101","82781","","10.1039/C5RA14734D","","","0.71069","MoKα","","0.117","0.0729","","","0.1934","0.2213","","","","","","1.059","","","","has coordinates,has disorder","159056","2020-10-21","18:00:00",""
"7222356","8.8544","0.0004","11.2802","0.0004","19.5722","0.0008","90","","100.708","0.004","90","","1920.82","0.14","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N7 O S2 V -","- C14 H19 N7 O S2 V -","- C56 H76 N28 O4 S8 V4 -","4","1","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata; Barszcz, Boleslaw","New oxovanadium(IV) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity.","RSC Adv.","2015","","","","","10.1039/C5RA12561H","","","0.71073","MoKα","","0.0893","0.0569","","","0.0944","0.1055","","","","","","1.15","","","","has coordinates","159057","2020-10-21","18:00:00",""
"7222357","7.7159","0.0007","16.2503","0.0012","10.3876","0.0008","90","","103.466","0.009","90","","1266.65","0.18","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H27 N7 O S2 V -","- C21 H27 N7 O S2 V -","- C42 H54 N14 O2 S4 V2 -","2","0.5","","Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata; Barszcz, Boleslaw","New oxovanadium(IV) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity.","RSC Adv.","2015","","","","","10.1039/C5RA12561H","","","0.71073","MoKα","","0.0783","0.0429","","","0.097","0.1086","","","","","","1.002","","","","has coordinates","159057","2020-10-21","18:00:00",""
"7222358","8.272","0.0009","10.0598","0.0008","10.6312","0.0008","63.001","0.004","74.356","0.005","76.484","0.005","752.64","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 N8 Na2 O18 S2 -","- C20 H26 N8 Na2 O18 S2 -","- C20 H26 N8 Na2 O18 S2 -","1","0.5","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71069","MoKα","","0.0525","0.0396","","","0.0943","0.1008","","","","","","0.955","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222359","7.7709","0.0009","9.7428","0.0014","12.4498","0.0015","80.753","0.006","73.757","0.006","75.927","0.007","873.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cu N6 O8 -","- C13 H18 Cu N6 O8 -","- C26 H36 Cu2 N12 O16 -","2","1","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71073","MoKα","","0.0597","0.0448","","","0.114","0.1246","","","","","","1.001","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222360","10.8762","0.0018","12.0409","0.0017","12.2165","0.0019","79.36","0.008","65.192","0.008","68.57","0.008","1350.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Co3 N16 O30 -","- C40 H52 Co3 N16 O30 -","- C40 H52 Co3 N16 O30 -","1","0.5","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71069","MoKα","","0.1549","0.1054","","","0.3017","0.3259","","","","","","1.016","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222361","18.9274","0.001","8.6362","0.0005","16.9906","0.001","90","","105.753","0.002","90","","2673","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Co N10 O6 S -","- C19 H18 Co N10 O6 S -","- C76 H72 Co4 N40 O24 S4 -","4","1","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71073","MoKα","","0.141","0.0852","","","0.2114","0.2386","","","","","","1.054","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222362","8.6884","0.0017","11.586","0.002","20.943","0.004","90","","97.642","0.007","90","","2089.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N8 O7 S -","- C16 H16 Cu N8 O7 S -","- C64 H64 Cu4 N32 O28 S4 -","4","1","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71073","MoKα","","0.0735","0.0555","","","0.1486","0.1603","","","","","","1.067","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222363","15.8042","0.0006","6.596","0.0002","18.5585","0.0006","90","","96.609","0.001","90","","1921.77","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Co N8 O26 S2 -","- C20 H42 Co N8 O26 S2 -","- C40 H84 Co2 N16 O52 S4 -","2","0.5","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa Margarida; Marchetti, Fabio; Pettinari, Claudio; Pombeiro, Armando J. L.","Arylhydrazones of Barbituric Acid: synthesis, coordination ability and catalytic activity of their CoII/III and CuII complexes toward peroxidative oxidation of alkanes","RSC Adv.","2015","","","","","10.1039/C5RA14078A","","","0.71073","MoKα","","0.0584","0.0491","","","0.1237","0.1331","","","","","","1.067","","","","has coordinates","159058","2020-10-21","18:00:00",""
"7222364","8.125","0.0016","10.772","0.002","12.866","0.003","70.45","0.03","76.89","0.03","89.02","0.03","1031.4","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N10 O7 Pb -","- C12 H22 N10 O7 Pb -","- C24 H44 N20 O14 Pb2 -","2","1","","Yang, Gao-Wen; Zhang, Fei Fei; Wu, Qi; Cao, Meng Jie; Bai, Yu; Li, Qiao-Yun; Wei, Bo; Zou, Jian Hua","Substituted group directed assembly of energetic lead(II) compounds based on structure-relevant ligands","RSC Adv.","2015","","","","","10.1039/C5RA17301A","","","0.71073","MoKα","","0.0451","0.0366","","","0.1013","0.1089","","","","","","0.786","","","","has coordinates","159059","2020-10-21","18:00:00",""
"7222365","12.992","0.0015","4.9834","0.0006","15.3611","0.0018","90","","109.349","0.0017","90","","938.37","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N10 O4 Pb -","- C16 H12 N10 O4 Pb -","- C32 H24 N20 O8 Pb2 -","2","0.5","","Yang, Gao-Wen; Zhang, Fei Fei; Wu, Qi; Cao, Meng Jie; Bai, Yu; Li, Qiao-Yun; Wei, Bo; Zou, Jian Hua","Substituted group directed assembly of energetic lead(II) compounds based on structure-relevant ligands","RSC Adv.","2015","","","","","10.1039/C5RA17301A","","","0.71073","MoKα","","0.0769","0.0715","","","0.1827","0.1856","","","","","","1.208","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222366","22.92","0.01","23.62","0.01","36.17","0.02","90","","90","","90","","19581","16","100","2","100","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C94.8 H137.2 N O23.8 -","- C86 H124 N O15 -","- C688 H992 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.9","","","0.1537","0.1118","","","0.2035","0.2162","","","","","","1.026","","","","has coordinates,has disorder","171039","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222370","10.5945","0.0016","12.9146","0.0019","15.642","0.002","91.073","0.002","94.126","0.002","93.942","0.002","2129","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","1","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0796","0.0489","","","0.1391","0.1754","","","","","","1.071","","","","has coordinates","171062","2020-10-21","18:00:00",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222373","11.0623","0.0012","22.07","0.002","10.3481","0.0011","90","","108.293","0.002","90","","2398.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H47 Cu2 N3 O8 -","- C53 H47 Cu2 N3 O8 -","- C106 H94 Cu4 N6 O16 -","2","0.25","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0657","0.0481","","","0.1016","0.1076","","","","","","0.989","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222374","24.313","0.012","8.91","0.005","17.683","0.009","90","","90","","90","","3831","3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18.5 N3 O3 -","- C22 H19 N3 O3 -","- C176 H152 N24 O24 -","8","2","","Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis","ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition","RSC Adv.","2015","","","","","10.1039/C5RA16259A","","","0.71073","MoKα","","0.0446","0.0348","","","0.094","0.1031","","","","","","0.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222375","7.6342","0.0005","9.4462","0.0006","12.1984","0.0007","80.301","0.003","73.647","0.003","71.635","0.003","798.02","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H10 I N5 O2 -","- C15 H10 I N5 O2 -","- C30 H20 I2 N10 O4 -","2","2","","Pramanik, Animesh; Bodhak, Chandan; Kundu, Ashis","ZrO2 nanoparticles as a reusable solid dual acid-base catalyst for facile one-pot synthesis of multi-functionalized spirooxindole derivatives under solvent free condition","RSC Adv.","2015","","","","","10.1039/C5RA16259A","","","0.71073","MoKα","","0.0592","0.0483","","","0.1306","0.1441","","","","","","0.931","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222376","9.244","0.0011","21.127","0.003","10.5457","0.0012","90","","114.69","0.002","90","","1871.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O2 S3 -","- C20 H18 O2 S3 -","- C80 H72 O8 S12 -","4","1","","Chen, Shangjun; Li, Wenlong; Li, Xin; Zhu, Weihong","Substitution effect on photochromic properties of benzo[b]thiophene-1,1-dioxide based diarylethenes","RSC Adv.","2015","","","","","10.1039/C5RA18116J","","","0.71073","MoKα","","0.0915","0.0596","","","0.1267","0.1395","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222377","9.973","0.004","12.164","0.004","21.09","0.007","90","","90","","90","","2558.5","1.6","573","2","573","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 O2 S3 -","- C30 H22 O2 S3 -","- C120 H88 O8 S12 -","4","1","","Chen, Shangjun; Li, Wenlong; Li, Xin; Zhu, Weihong","Substitution effect on photochromic properties of benzo[b]thiophene-1,1-dioxide based diarylethenes","RSC Adv.","2015","","","","","10.1039/C5RA18116J","","","0.71073","MoKα","","0.0716","0.0419","","","0.0795","0.0906","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222378","19.5864","0.0018","12.1795","0.0011","15.8503","0.0015","90","","93.133","0.002","90","","3775.5","0.6","166","2","166","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O4 S3 -","- C20 H14 O4 S3 -","- C160 H112 O32 S24 -","8","1","","Chen, Shangjun; Li, Wenlong; Li, Xin; Zhu, Weihong","Substitution effect on photochromic properties of benzo[b]thiophene-1,1-dioxide based diarylethenes","RSC Adv.","2015","","","","","10.1039/C5RA18116J","","","0.71073","MoKα","","0.0527","0.0378","","","0.0953","0.1039","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222379","6.1451","0.0001","26.7789","0.0005","7.392","0.0001","90","","90","","90","","1216.42","0.03","292.89","0.11","292.89","0.11","","","","","","","","4","C 2 c b","C -2ac 2","41","","bis-(4-methoxyphenyl)-amine","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","","","Aksenov, Alexander V.; Aksenov, Nicolai A.; Orazova, Naila A.; Aksenov, Dmitrii A.; Dmitriev, Maksim V.; Rubin, Michael","Direct metal-free synthesis of diarylamines from 2-nitropropane via the twofold C-H functionalization of arenes","RSC Adv.","2015","","","","","10.1039/C5RA17668A","","","1.54184","CuKα","","0.0315","0.0311","","","0.09","0.0904","","","","","","1.108","","","","has coordinates","159086","2020-10-21","18:00:00",""
"7222380","28.2864","0.0011","28.2864","0.0011","13.3571","0.0007","90","","90","","90","","10687.3","0.8","293","2","293","2","","","","","","","Synthesized","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C464 H336 N80 O48 -","16","0.5","","Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar","Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes","RSC Adv.","2015","","","","","10.1039/C5RA18566A","","","1.54184","CuKα","","0.0931","0.0789","","","0.2152","0.2301","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222381","28.2864","0.0011","28.2864","0.0011","13.3571","0.0007","90","","90","","90","","10687.3","0.8","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C25.78 H18.67 N4.44 O2.67 -","- C25.7778 H16 N4.44444 O2.66667 -","- C464 H288 N80 O48 -","18","0.5625","","Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar","Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes","RSC Adv.","2015","","","","","10.1039/C5RA18566A","","","1.54184","CuKα","","0.1009","0.0868","","","0.2502","0.2672","","","","","","1.04","","","","has coordinates","159088","2020-10-21","18:00:00",""
"7222382","18.4284","0.0017","18.4284","0.0017","40.081","0.003","90","","90","","120","","11788.1","1.8","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","ZJU-9","","- C13 H6 Cu N0 O5 -","- C13 H6 Cu O5 -","- C234 H108 Cu18 O90 -","18","0.5","","Duan, Xing; Wang, Huizhen; Cui, Yuanjing; Yang, Yu; Wang, Zhiyu; Chen, Banglin; Qian, Guodong","A New NbO Type Metal-Organic Framework for High Acetylene and Methane Storage","RSC Adv.","2015","","","","","10.1039/C5RA14633J","","","0.71073","MoKα","","0.1494","0.08","","","0.2093","0.2598","","","","","","1.053","","","","has coordinates","159089","2020-10-21","18:00:00",""
"7222383","12.0501","0.0004","17.221","0.0005","20.7696","0.0006","69.987","0.002","86.127","0.002","85.44","0.002","4033.2","0.2","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C32 H41 F12 Fe N9 P2 -","- C32 H41 F12 Fe N9 P2 -","- C128 H164 F48 Fe4 N36 P8 -","4","2","","Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar","Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex","RSC Adv.","2015","","","","","10.1039/C5RA18270K","","x-ray","0.71073","MoKα","","0.0931","0.0634","","","0.1417","0.158","","","","","","1.076","","","","has coordinates,has disorder","171425","2020-10-21","18:00:00",""
"7222384","19.1865","0.0009","10.7359","0.0004","15.8045","0.0007","90","","99.406","0.002","90","","3211.7","0.2","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F12 Fe N8 P2 -","- C26 H28 F12 Fe N8 P2 -","- C104 H112 F48 Fe4 N32 P8 -","4","1","","Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar","Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex","RSC Adv.","2015","","","","","10.1039/C5RA18270K","","x-ray","0.71073","MoKα","","0.0835","0.0504","","","0.1038","0.1165","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222385","19.9697","0.0007","11.5746","0.0003","18.9375","0.0007","90","","100.129","0.002","90","","4309","0.2","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 F12 Fe N9 P2 -","- C38 H47 F12 Fe N9 P2 -","- C152 H188 F48 Fe4 N36 P8 -","4","1","","Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar","Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex","RSC Adv.","2015","","","","","10.1039/C5RA18270K","","x-ray","0.71073","MoKα","","0.1574","0.079","","","0.0937","0.1074","","","","","","1.154","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222386","8.0698","0.0005","10.1378","0.0007","19.536","0.0013","98.549","0.003","101.122","0.003","100.397","0.003","1514.35","0.18","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C27 H24 F12 Fe N8 P2 -","- C27 H24 F12 Fe N8 P2 -","- C54 H48 F24 Fe2 N16 P4 -","2","1","","Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar","Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex","RSC Adv.","2015","","","","","10.1039/C5RA18270K","","x-ray","0.71073","MoKα","","0.0526","0.0407","","","0.0957","0.1029","","","","","","1.042","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7222387","8.0891","0.0001","21.862","0.0003","24.941","0.0003","90","","96.721","0.001","90","","4380.35","0.1","123","","123","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 F12 Fe N9 O3 P2 -","- C41 H35 F12 Fe N9 O3 P2 -","- C164 H140 F48 Fe4 N36 O12 P8 -","4","1","","Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar","Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex","RSC Adv.","2015","","","","","10.1039/C5RA18270K","","x-ray","0.71073","MoKα","","0.0426","0.038","","","0.1016","0.1059","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222397","21.9124","0.0004","28.8956","0.0005","26.8085","0.0005","90","","108.904","0.0007","90","","16058.8","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H78.5 B2 Co Fe2 N6 O2 -","- C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25 -","- C818 H628 B16 Co8 Fe15.996 N48 O18 -","8","2","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1031","0.0787","","","0.1961","0.2126","","","","","","1.01","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222398","12.6886","","13.1123","","19.4242","","81.413","","75.481","","71.412","","2956.84","","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","1","0.5","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1921","0.0979","","","0.2596","0.3503","","","","","","1.071","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222399","18.5689","0.0002","9.5521","0.0001","18.3723","0.0002","90","","107.433","0.001","90","","3109.05","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Methyl-triphenyl-germane","Methyltriphenyl germanium","","- C19 H18 Ge -","- C19 H18 Ge -","- C152 H144 Ge8 -","8","2","","Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir","A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids.","Physical chemistry chemical physics : PCCP","2015","17","43","28866","28878","10.1039/c5cp04924e","","","0.71073","MoKα","","0.0518","0.034","","","0.0743","0.0793","","","","","","1.06","","","","has coordinates","171367","2020-10-21","18:00:00",""
"7222400","18.485","0.004","14.715","0.003","20.774","0.004","90","","105.79","0.03","90","","5437","2","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N2 O7 S -","- C27 H28 N2 O7 S -","- C216 H224 N16 O56 S8 -","8","1","","Guo, Hongchao; Wu, Yang; Liu, Honglei; Zhang, Lei; Xiao, Yumei; Qiao, Guanyu; Sun, Zhanhu","Brønsted Acid-Promoted [3 + 3] Cycloaddition of Azomethine Ylides with Quinone Monoimine: A Practical Method towards Dihydrobenzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA12401H","","","0.71073","MoKα","","0.0713","0.0691","","","0.1787","0.1842","","","","","","1.243","","","","has coordinates","159540","2020-10-21","18:00:00",""
"7222401","11.6184","0.0004","20.1448","0.0006","13.2501","0.0004","90","","102.093","0.001","90","","3032.37","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 B2 F8 N12 -","- C24 H24 Ag2 B2 F8 N12 -","- C96 H96 Ag8 B8 F32 N48 -","4","1","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","","0.71073","MoKα","","0.0271","0.0227","","","0.0488","0.0506","","","","","","1.069","","","","has coordinates","159541","2020-10-21","18:00:00",""
"7222402","6.482","0.002","8.871","0.003","12.896","0.004","79.298","0.007","84.228","0.007","86.626","0.006","724.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Ag F3 N4 O4 -","- C10 H12 Ag F3 N4 O4 -","- C20 H24 Ag2 F6 N8 O8 -","2","1","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","","0.71073","MoKα","","0.0743","0.04","","","0.0773","0.0917","","","","","","1.03","","","","has coordinates,has disorder","159541","2020-10-21","18:00:00",""
"7222403","17.6545","0.0011","8.1711","0.0003","18.4625","0.0013","90","","118.187","0.009","90","","2347.5","0.3","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Ag2 B2 F8 N8 O -","- C16 H18 Ag2 B2 F8 N8 O -","- C64 H72 Ag8 B8 F32 N32 O4 -","4","0.5","","Ding, Bin; Huo, Jian Zhong; Liu, Yuan Yuan; Wang, XiuGuang; Su, XiuMei; Wu, Xiang Xia; Zhu, Zhao Zhou; Xia, Jun","Triazole based Ag coordination clusters: synthesis, structural diversity and anion exchange properties","RSC Adv.","2015","5","101","83415","","10.1039/C5RA16908A","","x-ray","1.54184","CuKα","","0.0404","0.0388","","","0.0994","0.1009","","","","","","1.059","","","","has coordinates","159541","2020-10-21","18:00:00",""
"7222404","25.831","0.003","11.8166","0.0011","3.9035","0.0004","90","","90","","90","","1191.5","0.2","150.15","","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N S2 -","- C15 H9 N S2 -","- C60 H36 N4 S8 -","4","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Manjusri, Ramachandran; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","An Efficient Desulfitative C-C Cross Coupling of Fused Thiazolidine-2-thione with Boronic Acids and Boronic Acid Pinacol esters: Formation of Fused Thiazoles","RSC Adv.","2015","","","","","10.1039/C5RA17827D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0865","0.0892","","","","","","1.068","","","","has coordinates","159568","2020-10-21","18:00:00",""
"7222405","13.203","0.006","6.233","0.003","11.73","0.006","90","","104.518","0.004","90","","934.5","0.8","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","","Rajaguru, Kandasamy; Mariappan, Arumugam; Manjusri, Ramachandran; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","An Efficient Desulfitative C-C Cross Coupling of Fused Thiazolidine-2-thione with Boronic Acids and Boronic Acid Pinacol esters: Formation of Fused Thiazoles","RSC Adv.","2015","","","","","10.1039/C5RA17827D","","","0.71073","MoKα","","0.042","0.0387","","","0.1033","0.1066","","","","","","1.051","","","","has coordinates","159568","2020-10-21","18:00:00",""
"7222406","11.7828","0.0008","11.0859","0.0007","16.1335","0.001","90","","93.199","0.001","90","","2104.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2Z)-N,3-dibutyl-4-(2-oxo-2H-chromen-3-yl)-2,3- dihydro-1,3-thiazol-2-iminium bromide","","- C20 H25 Br N2 O2 S -","- C20 H25 Br N2 O2 S -","- C80 H100 Br4 N8 O8 S4 -","4","1","","Kumbhare, Ravindra M.; appalanaidu, killari; Dadmal, Tulshiram L.; Nanubolu, Jagadeesh babu","An Improved One-Pot Multicomponent Strategy for the Preparation of Thiazoline, Thiazolidinone and Thiazolidinol Scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA17278K","","","0.71073","MoKα","","0.0334","0.0293","","","0.0797","0.0827","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222407","8.035","0.0009","24.892","0.003","10.8856","0.0013","90","","111.56","0.004","90","","2024.9","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 N6 O12 Zn2 -","- C40 H36 N6 O12 Zn2 -","- C80 H72 N12 O24 Zn4 -","2","1","","Paul, Anup; Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Amide Functionalized Metal Organic Frameworks for Diastereoselective Nitroaldol (Henry) Reaction in Aqueous Medium","RSC Adv.","2015","","","","","10.1039/C5RA14637B","","","0.71073","MoKα","","0.0322","0.0318","","","0.0795","0.0801","","","","","","1.109","","","","has coordinates","159570","2020-10-21","18:00:00",""
"7222408","8.3259","0.0014","22.773","0.004","20.105","0.003","90","","93.7","0.005","90","","3804.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cu N8 O11 -","- C29 H25 Cu N5 O7 -","- C116 H100 Cu4 N20 O28 -","4","1","","Paul, Anup; Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Amide Functionalized Metal Organic Frameworks for Diastereoselective Nitroaldol (Henry) Reaction in Aqueous Medium","RSC Adv.","2015","","","","","10.1039/C5RA14637B","","","0.71073","MoKα","","0.1243","0.0834","","","0.211","0.2268","","","","","","1.057","","","","has coordinates","159570","2020-10-21","18:00:00",""
"7222409","11.2782","0.0009","11.283","0.0009","15.7258","0.0013","88.215","0.007","79.997","0.007","83.701","0.007","1958.7","0.3","102.3","","102.3","","","","","","","","","4","P -1","-P 1","2","N',N''-Didodecylbisindolylmaleimide","3,4-bis(1-dodecyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione","","- C44 H61 N3 O2 -","- C44 H61 N3 O2 -","- C88 H122 N6 O4 -","2","1","","Li, Ting-Ting; Gao, Yong-Chen; Zhou, Jin-Xiu; Huang, Mu-Hua; Luo, Yunjun","The Bisindolylmaleimides With Anti-Parallel Conformation by N-Dodecyl Chains on Indole Rings:Thermal Property and Intensive Solid-State Fluorescence in Single Crystal","RSC Adv.","2015","","","","","10.1039/C5RA14860J","","","0.7107","MoKα","","0.0824","0.0589","","","0.1264","0.1375","","","","","","1.042","","","","has coordinates,has disorder","159571","2020-10-21","18:00:00",""
"7222410","11.246","0.002","12.502","0.003","18.736","0.004","83.75","0.03","74.78","0.03","85.12","0.03","2522.3","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H79 N3 O2 -","- C56 H79 N3 O2 -","- C112 H158 N6 O4 -","2","1","","Li, Ting-Ting; Gao, Yong-Chen; Zhou, Jin-Xiu; Huang, Mu-Hua; Luo, Yunjun","The Bisindolylmaleimides With Anti-Parallel Conformation by N-Dodecyl Chains on Indole Rings:Thermal Property and Intensive Solid-State Fluorescence in Single Crystal","RSC Adv.","2015","","","","","10.1039/C5RA14860J","","","0.71073","MoKα","","0.1723","0.0818","","","0.1758","0.2225","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222411","9.218","0.0013","16.848","0.003","40.285","0.006","90","","93.339","0.003","90","","6245.8","1.7","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65.88 H65.63 Cl4 I2.12 N2 P2 Pt2 -","- C65.8772 H65.6316 Cl4 I2.1228 N2 P2 Pt2 -","- C263.509 H262.526 Cl16 I8.4912 N8 P8 Pt8 -","4","1","","Raoof, Fatemeh; Boostanizadeh, Maryam; Esmaeilbeig, Ahmadreza; Nabavizadeh, S. Masoud; Aghakhanpour, Reza babadi; Ghiassi, Kamran B.; Olmstead, Marilyn; Balch, A. L.","Reactivity comparison of five‐and six‐membered cyclometalated platinum(II) complexes in oxidative addition reactions","RSC Adv.","2015","","","","","10.1039/C5RA17421J","","","0.71073","MoKα","","0.0697","0.0487","","","0.1095","0.118","","","","","","1.026","","","","has coordinates,has disorder","159572","2020-10-21","18:00:00",""
"7222437","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C46.25 H55.75 N20.38 Ni3 O12.38 -","- C30 H18 N15 Ni3 O7 -","- C240 H144 N120 Ni24 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0294","0.0289","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222438","23.57","0.003","23.57","0.003","23.57","0.003","90","","90","","90","","13094","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C38 H40 Co3 N18 O9 -","- C30 H18 Co3 N15 O7 -","- C240 H144 Co24 N120 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0762","0.0661","","","0.1594","0.1648","","","","","","1.04","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222440","12.5269","0.001","14.4882","0.0012","15.3304","0.0012","98.553","0.001","95.074","0.001","115.075","0.001","2456.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 F12 N6 O3 P2 Pd -","- C51 H43 F12 N6 O3 P2 Pd -","- C102 H86 F24 N12 O6 P4 Pd2 -","2","1","","liu, qingxiang; Cai, Kang-Qing; Zhao, Zhi-Xiang","Synthesis, Structure and Catalysis of NHC-Pd(II) Complex Based on Tetradentate Mixed Ligand","RSC Adv.","2015","","","","","10.1039/C5RA11089K","","","0.71073","MoKα","","0.0469","0.0397","","","0.1012","0.1077","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222441","9.9973","0.0018","19.663","0.003","11.499","0.002","90","","103.524","0.002","90","","2197.8","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Li, Qing; Hou, Chuan-Jin; Hui, Yun-Ze; Liu, Yan-Jun; Yang, Rui-Feng; Hu, Xiang-Ping","Tridentate P,N,N-ligand promoted copper-catalyzed [3+2] cycloaddition of propargylic esters with β-enamino esters: synthesis of highly functionalized pyrroles","RSC Adv.","2015","","","","","10.1039/C5RA19304D","","","0.71073","MoKα","","0.0577","0.0528","","","0.1239","0.1284","","","","","","1.167","","","","has coordinates","160447","2020-10-21","18:00:00",""
"7222442","9.4578","0.0005","9.4805","0.0005","11.6473","0.0006","111.339","0.003","91.87","0.003","99.568","0.003","954.28","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cl N3 O -","- C22 H23 Cl N3 O -","- C44 H46 Cl2 N6 O2 -","2","1","","Wang, Baomin; Zhao, Tuan; Zhang, Huanrui; Cui, Longchen; Qu, Jingping","Zinc Chloride Catalyzed Stereoselective Construction of Spiropyrazolone Tetrahydroquinolines via Tandem [1,5]-Hydride Shift/Cyclization Sequence","RSC Adv.","2015","","","","","10.1039/C5RA18471A","","","0.71073","MoKα","","0.0613","0.0545","","","0.1984","0.2092","","","","","","1.28","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222443","18.0026","0.0005","18.0026","0.0005","13.3316","0.0002","90","","90","","120","","3741.82","0.16","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H72 Be12 N8 O54 P16 -","- C12 H60 Be12 N8 O48 P16 -","- C24 H120 Be24 N16 O96 P32 -","2","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen","An open-framework beryllium phosphite with extra-large 18-ring channels","CrystEngComm","2015","17","44","8414","","10.1039/C5CE01507C","","","0.71073","MoKα","","0.0929","0.0783","","","0.1518","0.1593","","","","","","1.228","","","","has coordinates","171044","2020-10-21","18:00:00",""
"7222444","14.659","0.003","20.2","0.004","9.5832","0.0018","90","","100.056","0.004","90","","2794.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl5 Co N2 O4 -","- C25 H26 Cl5 Co N2 O4 -","- C100 H104 Cl20 Co4 N8 O16 -","4","1","","Fu, Ling-Zhi; Zhou, Ling-Ling; Zhan, Shu-Zhong","A molecular cobalt catalyst supported by an amine-bis(phenolate) ligand for both electrolytic and photolytic water reduction","RSC Adv.","2015","5","103","84770","","10.1039/C5RA14753K","","","0.71073","MoKα","","0.0893","0.066","","","0.2023","0.2243","","","","","","1.072","","","","has coordinates","160603","2020-10-21","18:00:00",""
"7222446","20.803","0.002","9.503","0.0005","14.7247","0.0013","90","","100.224","0.008","90","","2864.7","0.4","393","2","393","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.3087","0.1192","","","0.2769","0.364","","","","","","0.735","","","","has coordinates","160724","2020-10-21","18:00:00",""
"7222447","20.798","0.002","9.502","0.0005","14.4536","0.0016","90","","100.8","0.009","90","","2805.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1417","0.0663","","","0.1522","0.1796","","","","","","0.815","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222450","9.986","0.009","15.21","0.016","6.35","0.006","90","","99.09","0.03","90","","952.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz","A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate","CrystEngComm","2015","17","45","8645","","10.1039/C5CE01037C","","","0.71073","MoKα","","0.0253","0.013","","","0.0262","0.0272","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222451","9.9843","0.0006","9.9843","0.0006","18.2816","0.0018","90","","90","","90","","1822.4","0.2","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 H6 In O8 -","- C16 H6 In O8 -","- C32 H12 In2 O16 -","2","0.125","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","0.71073","MoKα","","0.0805","0.0682","","","0.2076","0.2219","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222453","10.387","0.002","10.78","0.002","17.168","0.004","90.321","0.004","95.987","0.004","93.823","0.004","1907.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","2-(4-((E)-2-(5-((E)-2,4-bis(dibutylamino)styryl)thiophen-2-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile","C3","","- C40 H51 N5 O S -","- C40 H51 N5 O S -","- C80 H102 N10 O2 S2 -","2","1","","Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan","Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge.","Physical chemistry chemical physics : PCCP","2015","17","44","29679","29688","10.1039/c5cp04959h","","","0.71073","MoKα","","0.0892","0.0598","","","0.1506","0.1714","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7222454","7.5101","0.0018","9.387","0.002","14.553","0.004","97.563","0.002","92.562","0.002","107.979","0.002","963.4","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","(3,5-bis(4-chlorophenyl)thiophen-2-yl)(4-chlorophenyl)methanone","","- C23 H13 Cl3 O S -","- C23 H13 Cl3 O S -","- C46 H26 Cl6 O2 S2 -","2","1","","Chithiravel, Rengasamy; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A Direct Greener Route towards the Synthesis of 2-Aroyl-3,5-diarylthiophenes from 1,5-Diketones","RSC Adv.","2015","","","","","10.1039/C5RA17829K","","","0.71073","MoKα","","0.0389","0.0343","","","0.0851","0.0878","","","","","","1.034","","","","has coordinates","160993","2020-10-21","18:00:00",""
"7222455","18.882","0.002","3.9209","0.0005","20.007","0.002","90","","107.813","0.013","90","","1410.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O3 S2 -","- C13 H9 N3 O3 S2 -","- C52 H36 N12 O12 S8 -","4","1","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.0554","0.0406","","","0.1192","0.1409","","","","","","0.854","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222456","15.851","0.0016","10.6692","0.0005","13.4352","0.0012","90","","124.182","0.009","90","","1879.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N2 O S2 -","- C8 H8 N2 O S2 -","- C64 H64 N16 O8 S16 -","8","1","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.0421","0.0319","","","0.08","0.0887","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222457","15.5299","0.0017","7.0738","0.0014","12.0531","0.0017","90","","90","","90","","1324.1","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H12 N4 S3 -","- C9 H12 N4 S3 -","- C36 H48 N16 S12 -","4","0.5","","Alizadeh, Abdolali; Vahabi, Amir Hossein; Bazgir, Ayoob; Khavasi, Hamid Reza; Zhu, Zhe; Ng, Seik Weng","Highly mild approach towards synthesis of tetrasubstituted thiophenes by an organic salt afforded by cyclic thioureas and ketene dithioacetals","RSC Adv.","2015","5","103","85028","","10.1039/C5RA15544D","","","0.71073","MoKα","","0.101","0.0542","","","0.0981","0.1106","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222458","7.5227","0.0004","9.624","0.0006","37.396","0.002","90","","90","","90","","2707.4","0.3","100","2","100","2","","","","","","","leaves from Solanum capsicoides","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O8.5 -","- C28 H47 O8.5 -","- C112 H188 O34 -","4","1","","Chen, Bo-Wei; Chen, Yih Yang; Lin, You-Cheng; Huang, Chiung-Yao; Chokkalingam, Uvarani; Hwang, Tsong-Long; Chiang, Michael, Y.; Liu, Ho-Yih; Sheu, Jyh-Horng","Capsisteroids A‒F, Withanolides from the Leaves of Solanum capsicoides","RSC Adv.","2015","","","","","10.1039/C5RA12014D","","","1.54178","CuKα","","0.0943","0.0936","","","0.2351","0.2355","","","","","","1.113","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222459","6.467","0.002","6.4665284","","6.4665284","","90","","90","","90","","270.42","0.08","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Sn Alpha","","","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:20",""
"7222460","5.8393","0.0007","5.8392763","","3.1876","0.0004","90","","90","","90","","108.689","0.019","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","Sn Beta","","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:31",""
"7222463","7.493","0.0004","32.9156","0.0016","7.6917","0.0004","90","","104.704","0.002","90","","1834.93","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","pf17","(Z)-1-((4-bromothiophen-2-yl)methylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione , 1-methylpyrrolidin-2-one","","- C18 H17 Br N2 O4 S -","- C18 H17 Br N2 O4 S -","- C72 H68 Br4 N8 O16 S4 -","4","1","","Sen, Subhabrata; Bathula, Chandramohan; Mamidala, Rajanikanth; Tulluri, Chiranjeevi; Agarwal, Rahul; Jha, Kunal Kumar; Munshi, Parthapratim; Adepally, Uma; Singh, Ashutosh; Chary, Maringanti T.","Substituted furopyridinediones as novel inhibitors of α-glucosidase","RSC Adv.","2015","","","","","10.1039/C5RA19255B","","","0.71073","MoKα","","0.0568","0.0457","","","0.113","0.1194","","","","","","1.046","","","","has coordinates","161202","2020-10-21","18:00:00",""
"7222465","9.2291","0.0007","9.7804","0.0007","15.8873","0.0012","89.6","0.006","81.392","0.006","73.234","0.006","1356.64","0.18","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H44 Si -","- C32 H44 Si -","- C64 H88 Si2 -","2","1","","Buffet, Jean-Charles; Arnold, Thomas; Turner, Zoe; Angpanitcharoen, Phakpoom; OHare, Dermot","Synthesis and characterisation of permethylindenyl zirconium complexes and their use in ethylene polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA20465H","","","1.5418","CuKα","","0.1118","0.097","","0.2791","0.2717","0.279","","","","","","0.9647","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222466","14.1078","0.0001","14.284","0.0002","14.3753","0.0002","90","","96.894","0.001","90","","2875.91","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Cl2 Si Zr -","- C32 H42 Cl2 Si Zr -","- C128 H168 Cl8 Si4 Zr4 -","4","1","","Buffet, Jean-Charles; Arnold, Thomas; Turner, Zoe; Angpanitcharoen, Phakpoom; OHare, Dermot","Synthesis and characterisation of permethylindenyl zirconium complexes and their use in ethylene polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA20465H","","","0.71073","MoKα","","0.0345","0.0295","","","0.0726","0.076","","","","","","1.102","","","","has coordinates","161208","2020-10-21","18:00:00",""
"7222467","9.5271","0.0001","11.1274","0.0001","11.3616","0.0001","78.165","0.001","87.34","0.001","77.902","0.001","1152.67","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H66 Cl6 Si2 Zr2 -","- C42 H66 Cl6 Si2 Zr2 -","- C42 H66 Cl6 Si2 Zr2 -","1","0.5","","Buffet, Jean-Charles; Arnold, Thomas; Turner, Zoe; Angpanitcharoen, Phakpoom; OHare, Dermot","Synthesis and characterisation of permethylindenyl zirconium complexes and their use in ethylene polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA20465H","","","0.71073","MoKα","","0.0292","0.0263","","","0.0639","0.0653","","","","","","1.133","","","","has coordinates","161208","2020-10-21","18:00:00",""
"7222469","14.481","0.004","25.238","0.007","7.5208","0.0019","90","","90","","90","","2748.6","1.3","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cd N O7 -","- C14 H9 Cd N O7 -","- C112 H72 Cd8 N8 O56 -","8","1","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0279","0.0234","","","0.0633","0.0678","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222470","7.226","0.008","10.388","0.012","17.46","0.02","104.832","0.014","93.23","0.012","104.588","0.013","1216","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn1.5 N3 O9 -","- C26 H20 Mn1.5 N3 O9 -","- C52 H40 Mn3 N6 O18 -","2","1","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0577","0.0443","","","0.111","0.1206","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222471","16.9118","0.0011","6.8877","0.0006","11.8438","0.001","90","","105.872","0.009","90","","1327.01","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Co N2 O14 -","- C28 H20 Co N2 O14 -","- C56 H40 Co2 N4 O28 -","2","0.5","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0791","0.051","","","0.0902","0.1049","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222472","14.5661","0.001","25.0223","0.0017","7.4491","0.0006","90","","90","","90","","2715","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H9 Mn N O7 -","- C14 H9 Mn N O7 -","- C112 H72 Mn8 N8 O56 -","8","1","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0577","0.0412","","","0.0975","0.112","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222473","29.702","0.003","6.166","0.0003","16.6016","0.0008","90","","94.853","0.006","90","","3029.6","0.4","290.92","0.1","290.92","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O18 Zn3 -","- C28 H24 N2 O18 Zn3 -","- C112 H96 N8 O72 Zn12 -","4","0.5","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0582","0.0395","","","0.0784","0.0817","","","","","","0.95","","","","has coordinates","161214","2020-10-21","18:00:00",""
"7222474","15.5051","0.0007","12.2437","0.0005","18.0992","0.0005","90","","90","","90","","3435.9","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H33 N3 O20 Zn3 -","- C33 H33 N3 O20 Zn3 -","- C132 H132 N12 O80 Zn12 -","4","0.5","","Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen","A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA16580F","","","0.71073","MoKα","","0.0599","0.0463","","","0.1185","0.1274","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222476","11.0089","0.0009","15.811","0.0011","21.2396","0.0017","109.579","0.007","92.652","0.007","105.907","0.007","3310.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H87 Eu6 N5 O60 -","- C105 H87 Eu6 N5 O60 -","- C105 H87 Eu6 N5 O60 -","1","0.5","","wang, yan-qin; Tan, Qinghua; Liu, Hou-Ting; Sun, Wei; Liu, Zhiliang","A luminescent europium MOF containing lewis basic pyridyl site for highly selective sensing of o-, m- and p-nitrophenol","RSC Adv.","2015","","","","","10.1039/C5RA17001J","","","1.54184","CuKα","","0.1376","0.0869","","","0.2214","0.2518","","","","","","0.943","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222477","23.8164","0.0016","18.9585","0.0007","18.6002","0.0006","90","","90","","90","","8398.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H132 O12 V2 -","- C86 H132 O12 V2 -","- C344 H528 O48 V8 -","4","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71075","MoKα","","0.1029","0.0484","","","0.0974","0.111","","","","","","0.913","","","","has coordinates","161226","2020-10-21","18:00:00",""
"7222478","20.18","0.02","15.82","0.016","26.5","0.03","90","","110.686","0.011","90","","7915","14","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C79.5 H4 N4 O10 V2 -","- C79.5 O10 V2 -","- C318 O40 V8 -","4","1","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.6889","synchrotron","","0.2851","0.2176","","","0.4767","0.5275","","","","","","1.522","","","","has coordinates,has disorder","161226","2020-10-21","18:00:00",""
"7222479","9.446","0.0006","11.18","0.0007","19.3754","0.0013","77.635","0.004","81.522","0.004","85.307","0.005","1974.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H113 Cl2 N O7 V2 -","- C80 H113 Cl2 N O7 V2 -","- C80 H113 Cl2 N O7 V2 -","1","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71075","MoKα","","0.2135","0.0895","","","0.1929","0.2553","","","","","","0.966","","","","has coordinates,has disorder","161226","2020-10-21","18:00:00",""
"7222480","9.413","0.007","11.244","0.008","19.369","0.013","79.2","0.04","80.9","0.03","84.4","0.04","1983","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H108 Cl2 F3 N O7 V2 -","- C80 H108 Cl2 F3 N O7 V2 -","- C80 H108 Cl2 F3 N O7 V2 -","1","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71073","MoKα","","0.1424","0.1053","","","0.253","0.2815","","","","","","1.106","","","","has coordinates,has disorder","161226","2020-10-21","18:00:00",""
"7222481","10.8048","0.0012","14.4744","0.0013","18.3207","0.0019","74.937","0.008","84.606","0.009","69.796","0.008","2596.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H132 Cl2 N2 O6 V2 -","- C114 H132 Cl2 N2 O6 V2 -","- C114 H132 Cl2 N2 O6 V2 -","1","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71073","MoKα","","0.1577","0.0652","","","0.1407","0.1661","","","","","","0.785","","","","has coordinates,has disorder","161226","2020-10-21","18:00:00",""
"7222482","10.5705","0.0007","11.3001","0.0008","17.4045","0.0011","94.986","0.007","90.688","0.007","93.257","0.007","2067.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H110 Cl2 F6 N2 O6 V2 -","- C86 H110 Cl2 F6 N2 O6 V2 -","- C86 H110 Cl2 F6 N2 O6 V2 -","1","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71075","MoKα","","0.1481","0.0942","","","0.2536","0.2885","","","","","","1.037","","","","has coordinates","161226","2020-10-21","18:00:00",""
"7222483","11.3476","0.0008","12.2819","0.0009","16.8097","0.0011","100.861","0.004","99.097","0.004","108.087","0.005","2127.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H106 O8 V2 -","- C76 H106 O8 V2 -","- C76 H106 O8 V2 -","1","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71075","MoKα","","0.0848","0.0566","","","0.1479","0.1587","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222484","14.958","0.003","10.77","0.002","23.043","0.007","90","","103.386","0.011","90","","3611.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(L-Cl-O)(OH)](ClO4)2","","","- C32 H30 Cl3 Cu2 N6 O10 -","- C32 H30 Cl3 Cu2 N6 O10 -","- C128 H120 Cl12 Cu8 N24 O40 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.0771","0.0661","","","0.1865","0.1957","","","","","","1.172","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222485","16.3363","0.001","10.3267","0.0006","23.9249","0.0015","90","","106.81","0.002","90","","3863.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(L-Cl-O)(C3H3N2)(ClO4)](ClO4)","","","- C35 H33 Cl3 Cu2 N8 O9 -","- C35 H33 Cl3 Cu2 N8 O9 -","- C140 H132 Cl12 Cu8 N32 O36 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.1271","0.0986","","","0.2195","0.2343","","","","","","1.204","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222486","9.9409","0.0011","42.116","0.005","10.8358","0.001","90","","103.104","0.005","90","","4418.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu2(L-Cl-O)(Mu2-PO2(OC6H5)2](ClO4)2","","","- C44 H40 Cl3 Cu2 N6 O13 P -","- C44 H40 Cl3 Cu2 N6 O13 P -","- C176 H160 Cl12 Cu8 N24 O52 P4 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.1033","0.0764","","","0.204","0.2165","","","","","","1.348","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222487","16.2623","0.0007","12.0018","0.0005","21.7768","0.0009","90","","90","","90","","4250.3","0.3","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","[Cu2(L-Cl-O)(dca)2](MeCN)2","","","- C40 H36 Cl Cu2 F6 N14 O P -","- C40 H36 Cl Cu2 F6 N14 O P -","- C160 H144 Cl4 Cu8 F24 N56 O4 P4 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.0912","0.0653","","","0.1612","0.1893","","","","","","1.115","","","","has coordinates","161231","2020-10-21","18:00:00",""
"7222488","16.2326","0.0005","12.0277","0.0004","21.832","0.0007","90","","90","","90","","4262.5","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[Cu2(L-Me-O)(dca)2](PF6).2MeCN","","","- C41 H39 Cu2 F6 N14 O P -","- C41 H39 Cu2 F6 N14 O P -","- C164 H156 Cu8 F24 N56 O4 P4 -","4","1","","Massoud, Salah S.; Junk, Thomas; Louka, Febee R.; Herchel, Radovan; Travnicek, Zdenek; Fischer, Roland; Mautner, Franz Andreas","Synthesis, structure and magnetic characterization of dinuclear copper(II) complexes bridged by bicompartmental phenolate","RSC Adv.","2015","","","","","10.1039/C5RA19358C","","","0.71073","MoKα","","0.0573","0.0373","","","0.0736","0.0775","","","","","","0.92","","","","has coordinates","161231","2020-10-21","18:00:00",""
"7222831","7.3283","0.0004","9.6448","0.0006","13.9704","0.0008","83.013","0.005","81.025","0.005","79.065","0.005","953.31","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 N2 O4 -","- C18 H20 Cl2 N2 O4 -","- C36 H40 Cl4 N4 O8 -","2","1","","Singh, Shailja; Sharma, Kumkum; Awasthi, Satish K.","The interaction of (7-chloroquinolin-4-yl)-(2,5-dimethoxyphenyl)-amine hydrochloride dihydrate with serum albumin proteins, inputs from spectroscopic, molecular docking and X-ray diffraction studies","RSC Adv.","2015","5","104","85854","","10.1039/C5RA02815A","","","0.71073","MoKα","","0.0644","0.0554","","","0.1532","0.1592","","","","","","1.174","","","","has coordinates","165333","2020-10-21","18:00:00",""
"7222832","14.7426","0.0013","9.9228","0.0007","9.8994","0.0007","90","","92.03","0.007","90","","1447.25","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","70352","","- C14 H16 N4 O2 -","- C14 H16 N4 O2 -","- C56 H64 N16 O8 -","4","1","","Elango, Kuppanagounder; Manivannan, R.; ciattini, samuele; Chelazzi, Laura","Benzoquinone-imidazole hybrids as selective colorimetric sensors for cyanide in aqueous, solid and gas phases","RSC Adv.","2015","","","","","10.1039/C5RA13597D","","","0.71073","MoKα","","0.1291","0.0694","","","0.1537","0.1837","","","","","","1.02","","","","has coordinates,has disorder","165334","2020-10-21","18:00:00",""
"7222893","28.3363","0.0008","13.4618","0.0003","18.2577","0.0006","90","","106.78","0.003","90","","6668","0.3","100.02","0.1","100.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H66 Cd N4 O11.5 S2 -","- C69.5 H66 Cd N4 O11.5 S2 -","- C278 H264 Cd4 N16 O46 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.055","0.0513","","","0.1468","0.1522","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222894","28.4411","0.0008","13.5404","0.0003","18.3193","0.0005","90","","107.657","0.003","90","","6722.5","0.3","107","10","107","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cd N4 O10 S2 -","- C75.998 H70 Cd N4 O10 S2 -","- C303.992 H280 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0547","0.0484","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222895","28.3542","0.0006","13.5093","0.0002","18.2748","0.0003","90","","107.387","0.002","90","","6680.2","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.041","0.0382","","","0.1158","0.118","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222896","28.4302","0.0006","13.5048","0.0002","18.2481","0.0004","90","","107.277","0.002","90","","6690.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0564","0.052","","","0.1562","0.1607","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222897","28.7379","0.0011","13.4646","0.0004","18.2108","0.0008","90","","108.003","0.004","90","","6701.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Cd N4 O10 S2 -","- C78 H74 Cd N4 O10 S2 -","- C312 H296 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0604","0.0527","","","0.1539","0.1597","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222922","11.327","0.004","11.78","0.005","10.747","0.004","90","","94.54","0.004","90","","1429.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 I O2 -","- C17 H11 I O2 -","- C68 H44 I4 O8 -","4","1","","Cai, Qun; Yang, Yan; Li, Deng-Kui; Jia, Feng-Cheng; Xu, Cheng; Wu, An-Xin","CuO/I2-mediated intramolecular annulation for the synthesis of 2-aroyl-3-hydroxy-4-iodonaphthalenes","RSC Adv.","2015","","","","","10.1039/C5RA17651D","","","0.71073","MoKα","","0.0668","0.0385","","","0.0771","0.0879","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222923","16.603","0.003","4.1488","0.0008","19.295","0.004","90","","90","","90","","1329.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 I O2 S -","- C15 H9 I O2 S -","- C60 H36 I4 O8 S4 -","4","1","","Cai, Qun; Yang, Yan; Li, Deng-Kui; Jia, Feng-Cheng; Xu, Cheng; Wu, An-Xin","CuO/I2-mediated intramolecular annulation for the synthesis of 2-aroyl-3-hydroxy-4-iodonaphthalenes","RSC Adv.","2015","","","","","10.1039/C5RA17651D","","","0.71073","MoKα","","0.0414","0.0336","","","0.0872","0.0882","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222924","13.966","0.002","12.7793","0.0019","8.4353","0.0013","90","","100.374","0.002","90","","1480.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C84 H56 O8 -","4","1","","Cai, Qun; Yang, Yan; Li, Deng-Kui; Jia, Feng-Cheng; Xu, Cheng; Wu, An-Xin","CuO/I2-mediated intramolecular annulation for the synthesis of 2-aroyl-3-hydroxy-4-iodonaphthalenes","RSC Adv.","2015","","","","","10.1039/C5RA17651D","","","0.71073","MoKα","","0.0555","0.0442","","","0.1291","0.1474","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222964","19.692","0.009","19.692","0.009","20.101","0.02","90","","90","","90","","7795","9","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H40 Mn2 N14 O7 -","- C26 H40 Mn2 N14 O7 -","- C208 H320 Mn16 N112 O56 -","8","0.5","","xu, zhouqing; Li, Huijun; Wang, Yuan; Cai, Hongxin; Jia, Lei; Hou, Hongwei","Construction of Fe6, Fe8 and Mn8 Metallamacrocyclic Complexes and Magnetic Properties","RSC Adv.","2015","","","","","10.1039/C5RA18219K","","","0.71073","MoKα","","0.1266","0.0589","","","0.1232","0.1517","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222965","9.5236","0.0019","12.24","0.002","9.907","0.002","90","","101.88","0.03","90","","1130.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Fe N7 O2 -","- C10 H6 Fe N7 O2 -","- C40 H24 Fe4 N28 O8 -","4","1","","xu, zhouqing; Li, Huijun; Wang, Yuan; Cai, Hongxin; Jia, Lei; Hou, Hongwei","Construction of Fe6, Fe8 and Mn8 Metallamacrocyclic Complexes and Magnetic Properties","RSC Adv.","2015","","","","","10.1039/C5RA18219K","","","0.71073","MoKα","","0.0431","0.0416","","","0.0933","0.0942","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222966","19.623","0.003","19.623","0.003","19.147","0.004","90","","90","","90","","7373","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H12 Fe N7 O3 -","- C9 H12 Fe N7 O3 -","- C144 H192 Fe16 N112 O48 -","16","1","","xu, zhouqing; Li, Huijun; Wang, Yuan; Cai, Hongxin; Jia, Lei; Hou, Hongwei","Construction of Fe6, Fe8 and Mn8 Metallamacrocyclic Complexes and Magnetic Properties","RSC Adv.","2015","","","","","10.1039/C5RA18219K","","","0.71073","MoKα","","0.0718","0.0591","","","0.1626","0.174","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222967","20.622","0.008","9.858","0.002","19.482","0.004","90","","117.55","0.03","90","","3511","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N10 O Zn -","- C18 H14 N10 O Zn -","- C144 H112 N80 O8 Zn8 -","8","1","","Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He","Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis","RSC Adv.","2015","","","","","10.1039/C5RA15576B","","","0.71073","MoKα","","0.0702","0.0533","","","0.0947","0.0997","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222968","9.0585","0.0018","11.245","0.002","11.283","0.002","94.55","0.03","108.18","0.03","93.49","0.03","1084","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl2 N10 O0 Zn2 -","- C18 H12 Cl2 N10 Zn2 -","- C36 H24 Cl4 N20 Zn4 -","2","1","","Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He","Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis","RSC Adv.","2015","","","","","10.1039/C5RA15576B","","","0.71073","MoKα","","0.0562","0.0395","","","0.0773","0.0825","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222969","8.1044","0.0016","16.023","0.003","10.137","0.004","90","","117.31","0.02","90","","1169.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N8 O2 Zn2 -","- C8 H6 N8 O2 Zn2 -","- C32 H24 N32 O8 Zn8 -","4","1","","Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He","Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis","RSC Adv.","2015","","","","","10.1039/C5RA15576B","","","0.71073","MoKα","","0.0744","0.055","","","0.1046","0.1103","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222970","26.589","0.004","32.239","0.005","7.3315","0.0012","90","","90","","90","","6284.6","1.7","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C272 H240 N48 O80 -","16","1","","Vereshchagin, Anatoly N.; Elinson, Michail N.; Dorofeeva, Evgeniya O.; Sokolova, Olga O.; Bushmarinov, Ivan S.; Egorov, Michail N.","Stereoselective synthesis of medicinally relevant furo[2,3-d]pyrimidine framework by thermal rearrangement of spirocyclic barbiturates","RSC Adv.","2015","","","","","10.1039/C5RA19169F","","x-ray","0.71073","MoKα","","0.1161","0.0725","","","0.1516","0.1737","","","","","","1.076","","","","has coordinates","169175","2020-10-21","18:00:00",""
"7222971","4.9361","0.0009","12.949","0.002","15.145","0.003","90.758","0.003","96.573","0.003","92.174","0.003","960.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Cd O9 -","- C22 H14 Cd O9 -","- C44 H28 Cd2 O18 -","2","1","","Wu, Yun-Long; Yang, Guo-Ping; Zhang, Yindi; Shi, Nannan; Han, Jun; Wang, Yao-Yu","New luminescent Cd(II)-MOF as highly selective chemical probe for Fe3+ in aqueous solution with mixed metal ions","RSC Adv.","2015","","","","","10.1039/C5RA18807E","","","0.71073","MoKα","","0.0776","0.0603","","","0.175","0.2492","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222972","13.4218","0.0017","10.5641","0.0011","19.169","0.003","90","","106.172","0.007","90","","2610.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 O2.2 S -","- C30 H30 N4 O2.2 S -","- C120 H120 N16 O8.8 S4 -","4","1","","Mahendran, Vaithiyanathan; SHANMUGAM, SIVAKUMAR","Aggregates of hydrazono-sulfonamide adduct as picric acid sensor","RSC Adv.","2015","","","","","10.1039/C5RA17359K","","x-ray","0.71073","MoKα","","0.0842","0.0671","","","0.1702","0.1817","","","","","","1.099","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222973","17.8147","0.0008","7.4508","0.0005","21.5768","0.0011","90","","108.369","0.003","90","","2718","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hamada_FK87_02_06_14","4w","","- C28 H20 Br N5 O5 S -","- C28 H20 Br N5 O5 S -","- C112 H80 Br4 N20 O20 S4 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr","RSC Adv.","2015","","","","","10.1039/C5RA17313B","","","1.54178","CuKα","","0.0721","0.0444","","","0.1082","0.1241","","","","","","1.028","","","","has coordinates,has disorder","169178","2020-10-21","18:00:00",""
"7222974","14.361","0.006","14.051","0.006","11.274","0.004","90","","108.43","0.007","90","","2158.3","1.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4y","","- C26 H14 Br F N4 O2 -","- C26 H14 Br F N4 O2 -","- C104 H56 Br4 F4 N16 O8 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr","RSC Adv.","2015","","","","","10.1039/C5RA17313B","","","0.71075","MoKα","","","0.0388","","","","0.1231","","","","","","1.002","","","","has coordinates","169178","2020-10-21","18:00:00",""
"7222975","6.6551","0.0011","14.067","0.002","14.367","0.002","106.52","0.011","100.524","0.012","98.459","0.011","1239.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Hamada_FK113_18_02_15","4u","","- C26 H19 Br N4 O5 S -","- C26 H19 Br N4 O5 S -","- C52 H38 Br2 N8 O10 S2 -","2","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr","RSC Adv.","2015","","","","","10.1039/C5RA17313B","","","1.54178","CuKα","","0.1128","0.0486","","","0.1453","0.1698","","","","","","0.963","","","","has coordinates","169178","2020-10-21","18:00:00",""
"7222976","14.2274","0.0004","7.0898","0.0002","21.0075","0.0006","90","","97.677","0.002","90","","2100.02","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_FK130C_23_03_15","4g","","- C25 H16 N4 O5 -","- C25 H16 N4 O5 -","- C100 H64 N16 O20 -","4","1","","Behbehani, Haider; Ibrahim, Hamada Mohamed","Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr","RSC Adv.","2015","","","","","10.1039/C5RA17313B","","","1.54178","CuKα","","0.0636","0.0511","","","0.1463","0.1569","","","","","","1.095","","","","has coordinates","169178","2020-10-21","18:00:00",""
"7222987","12.1814","0.0014","12.8382","0.0018","13.3641","0.0015","112.586","0.012","96.537","0.01","117.044","0.013","1609.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17.5 H19 N2 O4.5 -","- C17.5 H19 N2 O4.5 -","- C70 H76 N8 O18 -","4","2","","Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.","A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities","RSC Adv.","2015","","","","","10.1039/C5RA17844D","","","0.71073","MoKα","","0.1663","0.094","","","0.1706","0.2107","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222988","13.5975","0.0017","11.4633","0.0019","14.148","0.002","90","","105.616","0.016","90","","2123.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N3 O5 V -","- C24 H18 N3 O5 V -","- C96 H72 N12 O20 V4 -","4","1","","Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.","A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities","RSC Adv.","2015","","","","","10.1039/C5RA17844D","","","0.71073","MoKα","","0.1775","0.0706","","","0.1202","0.1676","","","","","","0.939","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222989","8.7713","0.0006","10.1477","0.0008","13.3468","0.0009","74.541","0.007","84.262","0.006","73.896","0.007","1099.63","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 N3 O5 V -","- C25 H20 N3 O5 V -","- C50 H40 N6 O10 V2 -","2","1","","Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.","A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities","RSC Adv.","2015","","","","","10.1039/C5RA17844D","","","0.71073","MoKα","","0.0871","0.0572","","","0.1095","0.1239","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222990","7.668","0.003","14.153","0.006","21.853","0.01","90","","96.86","0.006","90","","2354.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N3 O6 V -","- C25 H20 N3 O6 V -","- C100 H80 N12 O24 V4 -","4","1","","Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.","A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities","RSC Adv.","2015","","","","","10.1039/C5RA17844D","","","0.71073","MoKα","","0.1241","0.0662","","","0.1503","0.1767","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222991","8.3143","0.0006","11.3015","0.0007","12.1012","0.0008","72.559","0.006","84.859","0.006","76.042","0.006","1052.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl N3 O5 V -","- C24 H17 Cl N3 O5 V -","- C48 H34 Cl2 N6 O10 V2 -","2","1","","Ghosh, Tapas; Patra, Debashis; Biswas, Nirmalendu; Kumari, Bhavini; Das, Prolay; Sepay, Nayim; Chatterjee, Shamba K.; Drew, Michael G. B.","A family of mixed-ligand oxidovanadium(V) complexes with aroylhydrazone ligands: a combined experimental and computational study on the electronic effects of para substitutents of hydrazone ligands on the electronic properties, DNA binding and nuclease activities","RSC Adv.","2015","","","","","10.1039/C5RA17844D","","","0.71073","MoKα","","0.0751","0.0506","","","0.1275","0.1513","","","","","","0.81","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222992","6.588","0.0002","18.278","0.0002","18.613","0.0002","90","0.0012","90","0.0012","90","0.0012","2241.29","0.08","100","2","100","2","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al16 H32 Na16 O96 Si24 -","8","0.5","","Hatamifard, Arezo; nasrollahzadeh, mahmoud; Lipkowski, Janusz","Green synthesis of Natrolite zeolite/palladium nanocomposite and its application as a reusable catalyst for the reduction of organic dyes in the shortest time possible","RSC Adv.","2015","","","","","10.1039/C5RA18476B","","","0.71073","MoKα","","0.0402","0.035","","","0.0769","0.0807","","","","","","0.976","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222998","15.3138","0.0007","23.0323","0.0006","14.3495","0.0006","90","","115.858","0.005","90","","4554.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Ag3 Co I5 N8 -","- C40 H30 Ag3 Co I5 N8 -","- C160 H120 Ag12 Co4 I20 N32 -","4","1","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0779","0.0504","","","0.1041","0.118","","","","","","1.044","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7222999","14.8002","0.0016","14.8002","0.0016","24.789","0.003","90","","90","","120","","4702.5","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H50 Ag11 Co2 I15 N12 O -","- C72 H48 Ag11.0001 Co2 I15 N12 O -","- C144 H96 Ag22.0002 Co4 I30 N24 O2 -","2","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1406","0.1329","","","0.2941","0.2981","","","","","","1.288","","","","has coordinates,has disorder","173758","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223001","14.868","0.003","14.868","0.003","25.012","0.004","90","","90","","120","","4788.3","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.2204","0.1696","","","0.3761","0.4104","","","","","","1.033","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223003","14.8402","0.0004","14.8402","0.0004","24.9918","0.0008","90","","90","","120","","4766.6","0.2","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0901","0.0724","","","0.2319","0.2486","","","","","","1.156","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223005","41.711","0.006","11.8124","0.0017","16.553","0.002","90","","98.582","0.003","90","","8064.5","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 F18 O18 S12 Yb2 -","- C60 H54 F18 O18 S12 Yb2 -","- C240 H216 F72 O72 S48 Yb8 -","4","0.5","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.","Physical chemistry chemical physics : PCCP","2015","17","45","30510","30517","10.1039/c5cp05888k","","","0.71073","MoKα","","0.1101","0.0646","","","0.1614","0.1909","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223006","10.914","0.0003","11.4933","0.0005","26.0098","0.001","90","","90","","90","","3262.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 F9 O7 S4 Yb -","- C26 H18 F9 O7 S4 Yb -","- C104 H72 F36 O28 S16 Yb4 -","4","1","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.","Physical chemistry chemical physics : PCCP","2015","17","45","30510","30517","10.1039/c5cp05888k","","","0.71073","MoKα","","0.0635","0.0519","","","0.1025","0.1091","","","","","","1.102","","","","has coordinates,has disorder","171362","2020-10-21","18:00:00",""
"7223007","21.457","0.003","17.435","0.003","22.102","0.003","90","","101.295","0.003","90","","8108","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H35 N5 O4 S -","- C45 H35 N5 O4 S -","- C360 H280 N40 O32 S8 -","8","1","","Shi, Min; Cao, Bo; Mei, Liangyong; Li, Xiaoge","Palladium-Catalyzed Asymmetric [3+2] Cycloaddition to Construct 1,3-Indandione and Oxindole-Fused Spiropyrazolidine Scaffolds","RSC Adv.","2015","","","","","10.1039/C5RA19838K","","","0.71073","MoKα","","0.1329","0.054","","","0.1059","0.1275","","","","","","0.854","","","","has coordinates","169668","2020-10-21","18:00:00",""
"7223008","13.314","0.006","14.72","0.006","13.228","0.006","90","","101.192","0.006","90","","2543.1","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br4 Cl Fe N3 O3 -","- C20 H19 Br4 Cl Fe N3 O3 -","- C80 H76 Br16 Cl4 Fe4 N12 O12 -","4","1","","Chattopadhyay, Tanmay; Adhikary, Jaydeep; Datta, Arnab; Dasgupta, Sanchari; Chakraborty, Aratrika; Menendez-Rodriguez, M. Isabel","Development of an efficient magnetically separable nanocatalyst: Theoretical approach on the role of ligand backbone on epoxidation capability","RSC Adv.","2015","","","","","10.1039/C5RA17484H","","","0.71073","MoKα","","0.0964","0.0484","","","0.1042","0.1247","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223009","8.249","0.003","9.685","0.003","14.06","0.005","94.073","0.006","91.653","0.006","107.489","0.006","1067.2","0.6","571","2","571","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N5 O -","- C24 H25 N5 O -","- C48 H50 N10 O2 -","2","1","","Swamy, K. C. Kumara; Allu, Srinivasarao","Palladium-catalysed ortho-acylation of 6-anilinopurines/purine nucleosides via C-H activation","RSC Adv.","2015","","","","","10.1039/C5RA18447A","","","0.71073","MoKα","","0.0593","0.0442","","","0.1142","0.1247","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223010","7.8996","0.0005","9.7188","0.0004","10.8839","0.0007","97.916","0.004","95.921","0.006","113.064","0.005","750.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.0348","","","0.0757","0.0812","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223011","10.1604","0.0006","11.2134","0.0006","12.1942","0.0007","102.647","0.005","95.448","0.004","107.156","0.005","1276.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N3 O6 -","- C29 H23 Cd N3 O6 -","- C58 H46 Cd2 N6 O12 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0551","0.0477","","","0.1242","0.1309","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223012","9.952","0.0003","12.9516","0.0004","13.4675","0.0005","90","","104.847","0.004","90","","1677.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0408","0.0326","","","0.0691","0.0724","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223013","24.0555","0.0009","7.792","0.0003","18.1219","0.0006","90","","100.783","0.003","90","","3336.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.032","","","0.0709","0.0766","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223014","22.12","0.006","17.647","0.004","25.391","0.006","90","","97.171","0.004","90","","9834","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 N8 O24 Zn4 -","- C88 H56 N8 O24 Zn4 -","- C352 H224 N32 O96 Zn16 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.099","0.0791","","","0.2501","0.2777","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223015","9.5144","0.0005","18.7601","0.0007","13.7258","0.0005","90","","92.244","0.004","90","","2448.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0344","0.0306","","","0.0715","0.0741","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223016","8.6783","0.0004","18.8256","0.0007","14.1402","0.0006","90","","91.928","0.004","90","","2308.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0495","0.0348","","","0.0732","0.0809","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223017","11.523","0.002","11.262","0.002","18.197","0.004","90","","90.68","0.03","90","","2361.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10.5 Dy N O7.25 -","- C11 H10 Dy N O7.25 -","- C88 H80 Dy8 N8 O58 -","8","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Daoben","Luminescence and slow magnetic relaxation of isostructural 2D lanthanide metal-organic frameworks derived from both nicotinate N-oxide and glutarate","RSC Adv.","2015","","","","","10.1039/C5RA19682E","","","0.71073","MoKα","","0.0372","0.0347","","","0.0701","0.0712","","","","","","1.163","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223018","11.577","0.002","11.357","0.002","18.158","0.004","90","","91.35","0.03","90","","2386.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10.5 Gd N O7.25 -","- C11 H10 Gd N O7.25 -","- C88 H80 Gd8 N8 O58 -","8","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Daoben","Luminescence and slow magnetic relaxation of isostructural 2D lanthanide metal-organic frameworks derived from both nicotinate N-oxide and glutarate","RSC Adv.","2015","","","","","10.1039/C5RA19682E","","","0.71073","MoKα","","0.0291","0.027","","","0.0535","0.0543","","","","","","1.154","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223019","11.546","0.002","11.409","0.002","18.076","0.004","90","","92.06","0.03","90","","2379.6","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10.5 Eu N O7.25 -","- C11 H10 Eu N O7.25 -","- C88 H80 Eu8 N8 O58 -","8","1","","Liu, Cai-Ming; Zhang, Deqing; Hao, Xiang; Zhu, Daoben","Luminescence and slow magnetic relaxation of isostructural 2D lanthanide metal-organic frameworks derived from both nicotinate N-oxide and glutarate","RSC Adv.","2015","","","","","10.1039/C5RA19682E","","","0.71073","MoKα","","0.0248","0.0241","","","0.0549","0.0552","","","","","","1.138","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223020","15.6761","0.0015","15.7459","0.0016","24.799","0.002","74.232","0.009","75.087","0.008","60.183","0.01","5056","1","293","2","293","2","","","","","","","Synthesized","8","P -1","-P 1","2","Copper-lead thiolate cluster","","","- C97 H81 Cl3 Cu5 O6 P3 Pb S7 -","- C97 H81 Cl3 Cu5 O6 P3 Pb S7 -","- C194 H162 Cl6 Cu10 O12 P6 Pb2 S14 -","2","1","","Gupta, Geetika; Bhattacharya, Subrato","Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.","RSC Adv.","2015","","","","","10.1039/C5RA15195C","","","0.71073","MoKα","","0.2045","0.0881","","","0.1647","0.186","","","","","","0.848","","","","has coordinates","169738","2020-10-21","18:00:00",""
"7223021","12.8133","0.0007","13.2814","0.0007","30.5065","0.0015","100.487","0.004","90.174","0.004","118.261","0.005","4472.4","0.5","293","2","293","2","","","","","","","SYNTHESISED","6","P -1","-P 1","2","COPPERR-LEAD THIOLATE","","","- C102 H86 Cu2 P4 Pb S5 -","- C15.6923 H13.2308 Cu0.307692 P0.615385 Pb0.153846 S0.769231 -","- C204 H172 Cu4 P8 Pb2 S10 -","13","6.5","","Gupta, Geetika; Bhattacharya, Subrato","Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.","RSC Adv.","2015","","","","","10.1039/C5RA15195C","","","0.71073","MoKα","","0.1155","0.0642","","","0.1098","0.1371","","","","","","1.046","","","","has coordinates,has disorder","169738","2020-10-21","18:00:00",""
"7223022","24.3436","0.001","22.8897","0.0008","17.9021","0.0008","90","","89.899","0.004","90","","9975.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110 H93 Ag2 N P4 Pb2 S6 -","- C110 H93 Ag2 N P4 Pb2 S6 -","- C440 H372 Ag8 N4 P16 Pb8 S24 -","4","1","","Gupta, Geetika; Bhattacharya, Subrato","Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.","RSC Adv.","2015","","","","","10.1039/C5RA15195C","","","0.71073","MoKα","","0.213","0.0788","","","0.1049","0.1468","","","","","","1.016","","","","has coordinates","169738","2020-10-21","18:00:00",""
"7223023","28.184","0.0015","10.4657","0.0004","10.5136","0.0004","90","","90","","90","","3101.1","0.2","293","2","293","2","","","","","","","Pb/Cu bimetallic thiolate","6","P n a 21","P 2c -2n","33","","","","- C30 H34 Cu N4 O4 S2 -","- C30 H34 Cu N4 O4 S2 -","- C120 H136 Cu4 N16 O16 S8 -","4","1","","Gupta, Geetika; Bhattacharya, Subrato","Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.","RSC Adv.","2015","","","","","10.1039/C5RA15195C","","x-ray","0.71073","MoKα","","0.0646","0.0437","","","0.0929","0.1045","","","","","","1.053","","","","has coordinates","169738","2020-10-21","18:00:00",""
"7223024","6.6923","0.0002","7.5956","0.0002","22.7742","0.0006","90","","90","","90","","1157.66","0.06","173","2","173","2","","","101.3","","","","","4","C m c 21","C 2c -2","36","3HNHPI","3-Hydroxy-N-cyclohexylphthalimide","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Kanosue, Kenta; Ando, Shinji","Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.","Physical chemistry chemical physics : PCCP","2015","17","45","30659","30669","10.1039/c5cp05055c","","x-ray","1.54186","CuKα","","0.0371","0.0342","","","0.0892","0.0933","","","","","","1.113","","","","has coordinates","171363","2020-10-21","18:00:00",""
"7223025","5.0909","0.0001","5.2071","0.0001","23.0054","0.0004","93.826","0.001","94.857","0.001","98.102","0.001","599.68","0.02","173","2","173","2","","","101.3","","","","","4","P -1","-P 1","2","DHNHPI","3,6-Dihydroxy-N-cyclohexylphthalimide","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C28 H30 N2 O8 -","2","1","","Kanosue, Kenta; Ando, Shinji","Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.","Physical chemistry chemical physics : PCCP","2015","17","45","30659","30669","10.1039/c5cp05055c","","x-ray","1.54186","CuKα","","0.051","0.043","","","0.1339","0.139","","","","","","1.212","","","","has coordinates","171363","2020-10-21","18:00:00",""
"7223026","8.3295","0.0006","14.1464","0.001","8.8132","0.0006","90","","103.153","0.0019","90","","1011.24","0.12","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","dithieno[3,2-b:2',3'-d]phosphole","","","- C26 H16 N O P S2 -","- C26 H16 N O P S2 -","- C52 H32 N2 O2 P2 S4 -","2","1","","Puntscher, Hannes; Kautny, Paul; Stoeger, Berthold; Tissot, Antoine; Hametner, Christian; Hagemann, Hans; Fröhlich, Johannes; Baumgartner, Thomas; Lumpi, Daniel","Structure-Property Studies of P-Triarylamine-Substituted Dithieno[3,2-b:2',3'-d]phospholes","RSC Adv.","2015","","","","","10.1039/C5RA13651B","","x-ray","0.71069","MoKα","","0.0201","0.0198","","","0.0272","0.0273","","","","1.92","1.92","1.92","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7223027","12.059","0.0013","15.834","0.0014","26.756","0.0015","88.59","0.002","83.23","0.003","72.86","0.002","4847.6","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H45 Br2 Cl3 N2 Ni -","- C55 H45 Br2 Cl3 N2 Ni -","- C220 H180 Br8 Cl12 N8 Ni4 -","4","2","","Fan, Linlin; Yue, Erlin; Du, Shizhen; Guo, Cunyue; Hao, Xiang; Sun, Wen Hua","Enhancing thermo-stability to ethylene polymerization: Synthesis, characterization and the catalytic behavior of 1-(2,4-dibenzhydryl- 6-chlorophenylimino)-2-aryliminoacenaphthylnickel halides","RSC Adv.","2015","","","","","10.1039/C5RA18257C","","","0.71073","MoKα","","0.0757","0.0527","","","0.0967","0.1001","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223028","16.47","0.003","16.715","0.003","16.782","0.003","90","","90","","90","","4620","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H45 Br2 Cl N2 Ni -","- C55 H45 Br2 Cl N2 Ni -","- C220 H180 Br8 Cl4 N8 Ni4 -","4","1","","Fan, Linlin; Yue, Erlin; Du, Shizhen; Guo, Cunyue; Hao, Xiang; Sun, Wen Hua","Enhancing thermo-stability to ethylene polymerization: Synthesis, characterization and the catalytic behavior of 1-(2,4-dibenzhydryl- 6-chlorophenylimino)-2-aryliminoacenaphthylnickel halides","RSC Adv.","2015","","","","","10.1039/C5RA18257C","","","0.71073","MoKα","","0.0574","0.0526","","","0.1146","0.1174","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223029","22.531","","9.691","","26.753","","90","","113.96","","90","","5338.1","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H33 Cl3 N10 O14 Sn -","- C57 H33 Cl3 N10 O14 Sn -","- C228 H132 Cl12 N40 O56 Sn4 -","4","0.5","","Soman, Rahul; Subramaniam, Sujatha; Arunkumar, Chellaiah","Protonation and axial ligation intervened fluorescent turn-off sensing of picric acid in freebase and tin(IV) porphyrins","RSC Adv.","2015","","","","","10.1039/C5RA18310C","","","0.71073","MoKα","","0.0529","0.0354","","","0.0836","0.0927","","","","","","0.949","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223030","32.538","0.002","7.1831","0.0004","23.813","0.0018","90","","99.118","0.005","90","","5495.3","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 N6 O14 -","- C64 H48 N6 O14 -","- C256 H192 N24 O56 -","4","0.5","","Soman, Rahul; Subramaniam, Sujatha; Arunkumar, Chellaiah","Protonation and axial ligation intervened fluorescent turn-off sensing of picric acid in freebase and tin(IV) porphyrins","RSC Adv.","2015","","","","","10.1039/C5RA18310C","","","0.71073","MoKα","","0.0863","0.0567","","","0.1521","0.1805","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223031","10.8117","0.0003","11.0391","0.0008","11.758","0.0005","102.915","0.002","111.599","0.002","105.25","0.002","1175.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 N8 O10 Sn -","- C56 H34 N8 O10 Sn -","- C56 H34 N8 O10 Sn -","1","0.5","","Soman, Rahul; Subramaniam, Sujatha; Arunkumar, Chellaiah","Protonation and axial ligation intervened fluorescent turn-off sensing of picric acid in freebase and tin(IV) porphyrins","RSC Adv.","2015","","","","","10.1039/C5RA18310C","","","0.71073","MoKα","","0.0307","0.0284","","","0.0749","0.0779","","","","","","1.061","","","","has coordinates,has disorder","169764","2020-10-21","18:00:00",""
"7223032","17.9987","0.0014","18.3601","0.0012","20.6419","0.0016","90","","90","","90","","6821.3","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H68 N10 O18 -","- C72 H68 N10 O18 -","- C288 H272 N40 O72 -","4","1","","Soman, Rahul; Subramaniam, Sujatha; Arunkumar, Chellaiah","Protonation and axial ligation intervened fluorescent turn-off sensing of picric acid in freebase and tin(IV) porphyrins","RSC Adv.","2015","","","","","10.1039/C5RA18310C","","","0.71073","MoKα","","0.1423","0.069","","","0.1786","0.2294","","","","","","1.024","","","","has coordinates,has disorder","169764","2020-10-21","18:00:00",""
"7223033","26.9021","0.001","17.0746","0.0006","27.7311","0.001","90","","119.295","0.001","90","","11109","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 Nd4 O40 -","- C98 H126 N6 Nd4 O40 -","- C392 H504 N24 Nd16 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0573","0.039","","","0.1003","0.1135","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223034","26.836","0.0016","16.9273","0.001","27.3958","0.0016","90","","118.806","0.001","90","","10904.9","1.1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 O40 Sm4 -","- C98 H124 N6 O40 Sm4 -","- C392 H496 N24 O160 Sm16 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0394","0.0311","","","0.0918","0.0993","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223035","26.8066","0.0009","16.8139","0.0006","27.5667","0.001","90","","119.657","0.001","90","","10797.3","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 Gd4 N6 O40 -","- C98 H126 Gd4 N6 O40 -","- C392 H504 Gd16 N24 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0542","0.0377","","","0.1031","0.1204","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223036","12.7298","0.0008","12.941","0.0008","14.4839","0.0009","79.788","0.001","74.518","0.001","72.818","0.001","2184.2","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0605","0.043","","","0.113","0.1211","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223037","10.6807","0.0006","8.8299","0.0008","10.9759","0.0005","90","","94.604","0.005","90","","1031.79","0.12","295","2","295","2","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0349","0.0286","","","0.0621","0.0677","","","","","","1.114","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223038","10.6575","0.0005","8.7649","0.0009","10.9567","0.0005","90","","94.589","0.005","90","","1020.21","0.12","295","2","295","2","","","150000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0312","0.0271","","","0.0557","0.0578","","","","","","1.084","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223039","10.6184","0.0004","8.6082","0.0008","10.9307","0.0004","90","","94.591","0.004","90","","995.92","0.11","295","2","295","2","","","580000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0303","0.0266","","","0.0614","0.0634","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223040","10.6243","0.0005","8.403","0.0008","10.9113","0.0005","90","","94.483","0.004","90","","971.14","0.11","295","2","295","2","","","970000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.024","","","0.0531","0.0559","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223041","10.6792","0.0004","8.0977","0.0007","10.9004","0.0004","90","","94.192","0.004","90","","940.11","0.1","295","2","295","2","","","1610000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.027","0.0239","","","0.0507","0.0525","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223042","10.675","0.0005","7.8148","0.0008","10.8204","0.0004","90","","93.829","0.004","90","","900.66","0.11","295","2","295","2","","","2600000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0266","0.0231","","","0.0525","0.0551","","","","","","1.108","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223043","10.6557","0.0004","7.7006","0.0007","10.7594","0.0004","90","","93.693","0.004","90","","881.03","0.09","295","2","295","2","","","3300000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0292","0.0249","","","0.0492","0.0512","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223044","10.6379","0.0004","7.6361","0.0006","10.7112","0.0003","90","","93.601","0.003","90","","868.38","0.08","295","2","295","2","","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0247","0.0224","","","0.0487","0.0498","","","","","","1.08","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223045","10.6148","0.0004","7.568","0.0007","10.6476","0.0004","90","","93.508","0.003","90","","853.75","0.09","295","2","295","2","","","4400000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0265","0.024","","","0.0557","0.0575","","","","","","1.083","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223046","10.6023","0.0005","7.5308","0.0007","10.6049","0.0004","90","","93.439","0.004","90","","845.21","0.09","295","2","295","2","","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.0252","","","0.0586","0.0603","","","","","","1.07","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223047","10.5931","0.0004","7.4783","0.0007","10.5357","0.0004","90","","93.3","0.004","90","","833.24","0.09","295","2","295","2","","","5500000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0261","0.0232","","","0.0536","0.0564","","","","","","1.098","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223048","10.5914","0.0005","7.4435","0.0007","10.4601","0.0004","90","","93.121","0.004","90","","823.42","0.09","295","2","295","2","","","6010000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0281","0.0256","","","0.0603","0.0618","","","","","","1.089","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223050","9.3753","0.0004","16.5379","0.0008","18.0472","0.0009","90","","101.094","0.001","90","","2745.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 N8 O8 Zn2 -","- C56 H42 N8 O8 Zn2 -","- C112 H84 N16 O16 Zn4 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0706","0.0476","","","0.128","0.1359","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223051","8.928","0.002","16.369","0.004","17.65","0.004","90","","99.023","0.004","90","","2547.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N4 O5 Zn -","- C28 H23 N4 O5 Zn -","- C112 H92 N16 O20 Zn4 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0866","0.0574","","","0.1738","0.1937","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223052","24.15","0.02","14.463","0.013","8.914","0.008","90","","90.251","0.016","90","","3113","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu N4 O8 -","- C36 H26 Cu N4 O8 -","- C144 H104 Cu4 N16 O32 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0914","0.0672","","","0.1812","0.2004","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223053","11.573","0.003","13.892","0.004","14.655","0.004","62.631","0.004","68.977","0.004","68.8","0.004","1897.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.083","0.0544","","","0.1395","0.1533","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223054","7.455","0.006","17.478","0.014","17.024","0.013","90","","101.686","0.013","90","","2172","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 Ni O5 -","- C25 H19 N4 Ni O4 -","- C100 H76 N16 Ni4 O16 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0931","0.0553","","","0.1341","0.1506","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223055","12.0561","0.0002","13.4846","0.0003","21.0459","0.0005","90","","97.4474","0.0009","90","","3392.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C146.4 H116.8 Cl4.8 N8 Ni4 P8 S8 -","4","1","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0922","0.0505","","","0.1151","0.1331","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223056","11.7944","0.0001","18.1645","0.0002","61.6538","0.0008","90","","90","","90","","13208.7","0.3","150","2","150","2","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C549.6 H459.2 Cl11.2 N32 Ni16 P32 S32 -","4","0.25","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0481","0.0346","","","0.0707","0.0758","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223057","14.9741","0.0015","16.89","0.0017","18.5248","0.0019","80.769","0.002","84.451","0.002","71.208","0.002","4372.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Bi9 N11 O43.5 -","- C56 H65 Bi9 N11 O43.5 -","- C112 H130 Bi18 N22 O87 -","2","1","","Li, Chuan-Hua; Jiang, Jian-Hong; Li, Xu; Tao, Li-Ming; Xiao, Sheng-Xiong; Gu, Hui-Wen; Zhang, Hui; Jiang, Chao; Xie, Jin-Qi; Peng, Meng-Na; Pan, Lan-Lan; Xia, Xian-Ming; Li, Qiang-Guo","Synthesis, crystal structure and biological properties of a bismuth(III) Schiff-base complex","RSC Adv.","2015","","","","","10.1039/C5RA19370B","","","0.71073","MoKα","","0.0686","0.0458","","","0.1377","0.1555","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223058","9.9409","0.0005","10.7823","0.0005","11.4682","0.0006","67.893","0.005","76.899","0.005","87.268","0.004","1108.25","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22.5 Br N2 O0.5 -","- C28 H22 Br N2 O0.5 -","- C56 H44 Br2 N4 O -","2","1","","Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Grachova, Elena Valeri; Shakirova, Julia R.; Tunik, Sergey P.","A new heterocyclic skeleton with highly tunable absorbtion/emission wavelength via H-bonding","RSC Adv.","2015","","","","","10.1039/C5RA17755C","","","0.71073","MoKα","","0.0545","0.0423","","","0.1037","0.1109","","","","","","1.091","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223059","26.5184","0.0009","8.2523","0.0002","18.6675","0.0005","90","","106.173","0.003","90","","3923.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 I N2 O -","- C23 H21 I N2 O -","- C184 H168 I8 N16 O8 -","8","1","","Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Grachova, Elena Valeri; Shakirova, Julia R.; Tunik, Sergey P.","A new heterocyclic skeleton with highly tunable absorbtion/emission wavelength via H-bonding","RSC Adv.","2015","","","","","10.1039/C5RA17755C","","","0.71073","MoKα","","0.0343","0.0274","","","0.0565","0.0598","","","","","","1.046","","","","has coordinates","169790","2020-10-21","18:00:00",""
"7223060","17.5157","0.0006","8.5175","0.0002","19.8322","0.0005","90","","95.754","0.003","90","","2943.86","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N2 O0.5 -","- C21 H15 N2 O0.5 -","- C168 H120 N16 O4 -","8","2","","Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Grachova, Elena Valeri; Shakirova, Julia R.; Tunik, Sergey P.","A new heterocyclic skeleton with highly tunable absorbtion/emission wavelength via H-bonding","RSC Adv.","2015","","","","","10.1039/C5RA17755C","","","1.5418","CuKα","","0.0769","0.0489","","","0.1266","0.1499","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223061","16.6795","0.0012","8.7264","0.0008","26.906","0.002","90","","101.297","0.007","90","","3840.3","0.5","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","2","","Tomashenko, Olesya A.; Khlebnikov, Alexander F.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Grachova, Elena Valeri; Shakirova, Julia R.; Tunik, Sergey P.","A new heterocyclic skeleton with highly tunable absorbtion/emission wavelength via H-bonding","RSC Adv.","2015","","","","","10.1039/C5RA17755C","","","1.54184","CuKα","","0.1812","0.0723","","","0.1604","0.24","","","","","","1.01","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223062","5.1865","0.0007","9.3655","0.0013","13.2474","0.0017","73.44","0.003","81.546","0.003","77.431","0.003","599.52","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Imoto, Hiroaki; Nohmi, Katsuya; Kizaki, Kohei; Watase, Seiji; Matsukawa, Kimihiro; Yamamoto, Shunsuke; Mitsuishi, Masaya; Naka, Kensuke","Effect of Alkyl Groups on Emission Properties of Aggregation Induced Emission Active N-Alkyl Arylaminomaleimide Dyes","RSC Adv.","2015","","","","","10.1039/C5RA18690K","","","0.71075","MoKα","","","0.0586","","","","0.1692","","","","","","1.001","","","","has coordinates","169791","2020-10-21","18:00:00",""
"7223063","9.2789","0.0005","10.8413","0.0005","14.396","0.0006","80.6615","0.0013","86.8077","0.0013","80.6155","0.0015","1409.22","0.12","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Imoto, Hiroaki; Nohmi, Katsuya; Kizaki, Kohei; Watase, Seiji; Matsukawa, Kimihiro; Yamamoto, Shunsuke; Mitsuishi, Masaya; Naka, Kensuke","Effect of Alkyl Groups on Emission Properties of Aggregation Induced Emission Active N-Alkyl Arylaminomaleimide Dyes","RSC Adv.","2015","","","","","10.1039/C5RA18690K","","","0.71075","MoKα","","0.1431","0.0477","","","0.1095","0.1625","","","","","","1.091","","","","has coordinates","169791","2020-10-21","18:00:00",""
"7223064","34.655","0.003","10.7672","0.0008","23.2262","0.0018","90","","100.455","0.008","90","","8522.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H40 Cl N3 O5 Ru -","- C45.5 H40 Cl N3 O5 Ru -","- C364 H320 Cl8 N24 O40 Ru8 -","8","1","","Mazzoni, Rita; Cesari, Cristiana; Cingolani, Andrea; Parise, Chiara; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria-Cristina","Ruthenium hydroxycyclopentadienyl N-heterocyclic carbene complexes as transfer hydrogenation catalysts","RSC Adv.","2015","","","","","10.1039/C5RA18345F","","","0.71073","MoKα","","0.1462","0.1302","","","0.3483","0.3601","","","","","","1.049","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223065","24.1374","0.0017","14.9455","0.001","24.6819","0.0017","90","","114.617","0.001","90","","8094.6","1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H37 F3 N2 O8 Ru S -","- C42.5 H37 F3 N2 O8 Ru S -","- C340 H296 F24 N16 O64 Ru8 S8 -","8","2","","Mazzoni, Rita; Cesari, Cristiana; Cingolani, Andrea; Parise, Chiara; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria-Cristina","Ruthenium hydroxycyclopentadienyl N-heterocyclic carbene complexes as transfer hydrogenation catalysts","RSC Adv.","2015","","","","","10.1039/C5RA18345F","","","0.71073","MoKα","","0.1357","0.0621","","","0.1081","0.1331","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223066","12.0563","0.0006","20.5906","0.0011","35.1658","0.0019","90","","95.724","0.003","90","","8686.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cl3 F3 N2 O9 Ru S -","- C41 H36 Cl2.9985 F3 N2 O9 Ru S -","- C328 H288 Cl23.988 F24 N16 O72 Ru8 S8 -","8","2","","Mazzoni, Rita; Cesari, Cristiana; Cingolani, Andrea; Parise, Chiara; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria-Cristina","Ruthenium hydroxycyclopentadienyl N-heterocyclic carbene complexes as transfer hydrogenation catalysts","RSC Adv.","2015","","","","","10.1039/C5RA18345F","","","0.71073","MoKα","","0.1117","0.0883","","","0.2285","0.2451","","","","","","1.139","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223067","12.004","0.0004","35.1188","0.0012","10.2256","0.0004","90","","95.344","0.002","90","","4292","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 F3 N3 O7 Ru S -","- C45 H40 F3 N3 O7 Ru S -","- C180 H160 F12 N12 O28 Ru4 S4 -","4","1","","Mazzoni, Rita; Cesari, Cristiana; Cingolani, Andrea; Parise, Chiara; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria-Cristina","Ruthenium hydroxycyclopentadienyl N-heterocyclic carbene complexes as transfer hydrogenation catalysts","RSC Adv.","2015","","","","","10.1039/C5RA18345F","","","0.71073","MoKα","","0.144","0.1078","","","0.2442","0.2626","","","","","","1.129","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223068","7.624","0.0011","13.6244","0.0018","14.516","0.002","102.723","0.002","100.056","0.002","105.814","0.002","1370.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Au F5 N2 O -","- C31 H24 Au F5 N2 O -","- C62 H48 Au2 F10 N4 O2 -","2","1","","chen, zhao; yang, lan; Hu, Yuxuan; Wu, Di; Yin, Jun; Yu, Guang-Ao; Liu, Shenghua","Carbazole-Based Gold(I) Complexes with Alkyl Chains of Different Lengths: Tunable Solid-State Fluorescence, Aggregation-Induced Emission (AIE), and Reversible Mechanochromism Characteristics","RSC Adv.","2015","","","","","10.1039/C5RA19378H","","","0.71073","MoKα","","0.0414","0.0366","","","0.1131","0.1207","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223069","18.208","0.004","17.298","0.003","16.458","0.003","90","","99.525","0.003","90","","5112.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Au F5 N2 O -","- C30 H22 Au F5 N2 O -","- C240 H176 Au8 F40 N16 O8 -","8","1","","chen, zhao; yang, lan; Hu, Yuxuan; Wu, Di; Yin, Jun; Yu, Guang-Ao; Liu, Shenghua","Carbazole-Based Gold(I) Complexes with Alkyl Chains of Different Lengths: Tunable Solid-State Fluorescence, Aggregation-Induced Emission (AIE), and Reversible Mechanochromism Characteristics","RSC Adv.","2015","","","","","10.1039/C5RA19378H","","","0.71073","MoKα","","0.081","0.061","","","0.1676","0.1871","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223070","28.924","0.004","8.575","0.0011","40.421","0.005","90","","102.003","0.002","90","","9806","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H33 Au2 Cl F10 N4 O2 -","- C54.5 H33 Au2 Cl F10 N4 O2 -","- C436 H264 Au16 Cl8 F80 N32 O16 -","8","1","","chen, zhao; yang, lan; Hu, Yuxuan; Wu, Di; Yin, Jun; Yu, Guang-Ao; Liu, Shenghua","Carbazole-Based Gold(I) Complexes with Alkyl Chains of Different Lengths: Tunable Solid-State Fluorescence, Aggregation-Induced Emission (AIE), and Reversible Mechanochromism Characteristics","RSC Adv.","2015","","","","","10.1039/C5RA19378H","","","0.71073","MoKα","","0.087","0.0523","","","0.1456","0.1718","","","","","","1.05","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223071","10.457","0.0017","22.475","0.004","11.8269","0.0019","90","","115.49","0.002","90","","2509","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Au F5 N2 O -","- C29 H20 Au F5 N2 O -","- C116 H80 Au4 F20 N8 O4 -","4","1","","chen, zhao; yang, lan; Hu, Yuxuan; Wu, Di; Yin, Jun; Yu, Guang-Ao; Liu, Shenghua","Carbazole-Based Gold(I) Complexes with Alkyl Chains of Different Lengths: Tunable Solid-State Fluorescence, Aggregation-Induced Emission (AIE), and Reversible Mechanochromism Characteristics","RSC Adv.","2015","","","","","10.1039/C5RA19378H","","","0.71073","MoKα","","0.0758","0.045","","","0.1151","0.1301","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223072","19.127","0.003","7.5247","0.0011","41.685","0.007","90","","101.562","0.002","90","","5877.8","1.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Au F5 N2 O -","- C33 H28 Au F5 N2 O -","- C264 H224 Au8 F40 N16 O8 -","8","1","","chen, zhao; yang, lan; Hu, Yuxuan; Wu, Di; Yin, Jun; Yu, Guang-Ao; Liu, Shenghua","Carbazole-Based Gold(I) Complexes with Alkyl Chains of Different Lengths: Tunable Solid-State Fluorescence, Aggregation-Induced Emission (AIE), and Reversible Mechanochromism Characteristics","RSC Adv.","2015","","","","","10.1039/C5RA19378H","","","0.71073","MoKα","","0.1197","0.0928","","","0.2082","0.2232","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223073","8.779","0.0002","11.64","0.0002","26.194","0.001","90","","90","","90","","2676.7","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","squaramide based cinchona catalyst","3-(benzylamino)-4-(((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione","","- C31 H32 N4 O3 -","- C31 H32 N4 O3 -","- C124 H128 N16 O12 -","4","1","","Soos, Tibor; Csámpai, Antal; Holczbauer, Tamas; Mika, Laszlo T.; Varga, Eszter; Kardos, György","Mechanistic investigations of bifunctional squaramide organocatalyst in asymmetric Michael reaction, observation of stereoselective retro-Michael reaction","RSC Adv.","2015","","","","","10.1039/C5RA19593D","","","1.54178","CuKα","","0.0547","0.0333","","","0.0657","0.09","","","","","","1.192","","","","has coordinates","169794","2020-10-21","18:00:00",""
"7223074","11.821","0.0007","15.072","0.0009","14.4847","0.0009","90","","109.61","0.001","90","","2431","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1:2 salt of 2-(4-bromophenyl)-4-imino-4,1b-dihydro-1H-pyrido[2,1-a]isoquinoline-3-carbonitrile and trifluoroacetic acid","","- C24 H14 Br F6 N3 O4 -","- C24 H14 Br F6 N3 O4 -","- C96 H56 Br4 F24 N12 O16 -","4","1","","Meshram, Harshadas Mitaram; N, satish kumar; L, Chandrasekhara Rao; Nanubolu, Jagadeesh Babu","A domino green method for the rapid synthesis of novel fused isoquinoline derivatives via Knoevenagel/Michael/cyclisation reactions on aqueous media and their photophysical properties","RSC Adv.","2015","","","","","10.1039/C5RA15948B","","","0.71073","MoKα","","0.0691","0.0493","","","0.13","0.148","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223075","20.669","0.003","13.906","0.003","12.406","0.002","90","","90","","90","","3565.8","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H18 B0.5 N2.5 -","- C22 H18 B0.5 N2.5 -","- C176 H144 B4 N20 -","8","1","","Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy","Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.","Physical chemistry chemical physics : PCCP","2015","17","45","30424","30432","10.1039/c5cp05378a","","","0.71073","MoKα","","0.1165","0.0555","","","0.1684","0.2508","","","","","","0.8987","","","","has coordinates","171364","2020-10-21","18:00:00",""
"7223076","8.2822","0.0018","11.668","0.003","16.026","0.004","97.984","0.006","94.609","0.006","101.2","0.006","1495.3","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 B N3 -","- C35 H34 B N3 -","- C70 H68 B2 N6 -","2","1","","Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy","Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.","Physical chemistry chemical physics : PCCP","2015","17","45","30424","30432","10.1039/c5cp05378a","","","0.71073","MoKα","","0.3028","0.0992","","","0.1718","0.2293","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223077","16.2384","0.0011","7.5985","0.0005","29.12","0.002","90","","94.364","0.006","90","","3582.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 N5 O4 S -","- C41 H37 N5 O4 S -","- C164 H148 N20 O16 S4 -","4","1","","Kumar, Ranjeet; Rai, Sunil Kumar; Singh, Praveen; Gaurav, Archana; Yadav, Pratima; Khanna, Ranjana S.; Gupta, Hariom; Tewari, Ashish Kumar","Face-to-Face Stacking in Sulfonamide Based Bis-ethylene Bridged Heteroaromatic Dimers","RSC Adv.","2015","","","","","10.1039/C5RA12230A","","","0.71073","MoKα","","0.1634","0.0743","","","0.1616","0.2112","","","","","","1.019","","","","has coordinates","169862","2020-10-21","18:00:00",""
"7223078","7.2941","0.0009","7.3475","0.001","25.047","0.003","85.954","0.01","85.943","0.01","82.508","0.011","1325","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N5 O4 S -","- C27 H29 N5 O4 S -","- C54 H58 N10 O8 S2 -","2","1","","Kumar, Ranjeet; Rai, Sunil Kumar; Singh, Praveen; Gaurav, Archana; Yadav, Pratima; Khanna, Ranjana S.; Gupta, Hariom; Tewari, Ashish Kumar","Face-to-Face Stacking in Sulfonamide Based Bis-ethylene Bridged Heteroaromatic Dimers","RSC Adv.","2015","","","","","10.1039/C5RA12230A","","","0.71073","MoKα","","0.1439","0.0788","","","0.1836","0.2421","","","","","","1.039","","","","has coordinates","169862","2020-10-21","18:00:00",""
"7223079","15.8185","0.0017","7.3892","0.0007","21.053","0.002","90","","92.893","0.01","90","","2457.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O6 S -","- C27 H23 N3 O6 S -","- C108 H92 N12 O24 S4 -","4","1","","Kumar, Ranjeet; Rai, Sunil Kumar; Singh, Praveen; Gaurav, Archana; Yadav, Pratima; Khanna, Ranjana S.; Gupta, Hariom; Tewari, Ashish Kumar","Face-to-Face Stacking in Sulfonamide Based Bis-ethylene Bridged Heteroaromatic Dimers","RSC Adv.","2015","","","","","10.1039/C5RA12230A","","","0.71073","MoKα","","0.1286","0.0589","","","0.113","0.1475","","","","","","1.015","","","","has coordinates","169862","2020-10-21","18:00:00",""
"7223080","9.8236","0.0005","27.0693","0.0015","32.9799","0.0019","90","","94.074","0.005","90","","8747.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H80 N14 O9 S2 -","- C94 H80 N14 O9 S2 -","- C376 H320 N56 O36 S8 -","4","1","","Kumar, Ranjeet; Rai, Sunil Kumar; Singh, Praveen; Gaurav, Archana; Yadav, Pratima; Khanna, Ranjana S.; Gupta, Hariom; Tewari, Ashish Kumar","Face-to-Face Stacking in Sulfonamide Based Bis-ethylene Bridged Heteroaromatic Dimers","RSC Adv.","2015","","","","","10.1039/C5RA12230A","","","0.71073","MoKα","","0.2562","0.1122","","","0.2911","0.3922","","","","","","1.003","","","","has coordinates,has disorder","169862","2020-10-21","18:00:00",""
"7223081","8.1696","0.0008","11.5686","0.0009","13.0762","0.0008","89.962","0.004","89.807","0.002","87.127","0.004","1234.28","0.17","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C27 H40 O7 -","- C27 H38 O7 -","- C54 H76 O14 -","2","2","","Peng, xingrong; Wang, Xia; Zhou, lin; Hou, Bo; Zuo, Zhi-Li; Qiu, Minghua","Ganocochlearic Acid A, A Rearranged Hexanorlanostane Triterpenoid, and Cytotoxic Triterpenoids from the Fruiting Bodies of Ganoderma cochlear","RSC Adv.","2015","","","","","10.1039/C5RA16796E","","","1.54178","CuKα","","0.0736","0.0697","","","0.1913","0.1976","","","","","","1.087","","","","has coordinates","169863","2020-10-21","18:00:00",""
"7223082","6.2648","0.0003","33.5254","0.0016","6.9559","0.0003","90","","107.704","0.002","90","","1391.76","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","sinensine G","","- C31 H52 O4 -","- C31 H52 O4 -","- C62 H104 O8 -","2","1","","Peng, xingrong; Wang, Xia; Zhou, lin; Hou, Bo; Zuo, Zhi-Li; Qiu, Minghua","Ganocochlearic Acid A, A Rearranged Hexanorlanostane Triterpenoid, and Cytotoxic Triterpenoids from the Fruiting Bodies of Ganoderma cochlear","RSC Adv.","2015","","","","","10.1039/C5RA16796E","","","1.54178","CuKα","","0.0598","0.0597","","","0.1645","0.1646","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223083","13.772","0.0006","7.2047","0.0003","22.2442","0.0009","90","","106.684","0.004","90","","2114.22","0.16","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br2 N2 O5 U -","- C21 H16 Br2 N2 O5 U -","- C84 H64 Br8 N8 O20 U4 -","4","1","","Ebrahimipour, S. Yousef; Sheikhshoie, Iran; Castro, Jesus; Dusek, Michal; tohidian, zeinab; eigner, vaclav; Khaleghi, Moj","Synthesis, spectral characterization, structure studies, molecular docking and antimicrobial evaluation of new dioxidouranium(VI) complexes incorporating tetradentate N2O2 Schiff base ligands","RSC Adv.","2015","","","","","10.1039/C5RA17524K","","x-ray","0.71073","MoKα","","0.0511","0.0415","","","0.1087","0.1131","","","","1.93","1.93","1.81","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223084","21.1754","0.0019","21.1754","0.0019","26.984","0.003","90","","90","","90","","12100","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Y -","- C56 H86 F2 Li2 N3 O4 Si2 Y -","- C448 H688 F16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0818","0.0599","","","0.141","0.1539","","","","","","1.035","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223085","21.1739","0.0014","21.1739","0.0014","26.954","0.002","90","","90","","90","","12084.4","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Yb -","- C56 H52 F2 Li2 N3 O4 Si2 Yb -","- C448 H416 F16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0813","0.0654","","","0.1286","0.1359","","","","","","1.242","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223086","21.2389","0.0014","21.2389","0.0014","27.125","0.0019","90","","90","","90","","12235.8","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 O4 Si2 Sm -","- C56 H52 F2 Li2 N3 O4 Si2 Sm -","- C448 H416 F16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0575","0.05","","","0.1186","0.1238","","","","","","1.167","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223087","21.2689","0.0013","21.2689","0.0013","27.1676","0.0019","90","","90","","90","","12289.7","1.4","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 F2 Li2 N3 Nd O4 Si2 -","- C56 H86 F2 Li2 N3 Nd O4 Si2 -","- C448 H688 F16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.129","0.0977","","","0.1385","0.1491","","","","","","1.252","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223088","21.5582","0.0015","21.5582","0.0015","26.692","0.002","90","","90","","90","","12405.3","1.5","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Sm -","- C56 H64 Cl2 Li2 N3 O4 Si2 Sm -","- C448 H512 Cl16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0995","0.0737","","","0.1341","0.1447","","","","","","1.186","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223089","21.6935","0.0008","21.6935","0.0008","26.9178","0.0014","90","","90","","90","","12667.7","0.9","293","2","293","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 Nd O4 Si2 -","- C56 H86 Cl2 Li2 N3 Nd O4 Si2 -","- C448 H688 Cl16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71073","MoKα","","0.0934","0.0441","","","0.0849","0.1022","","","","","","1.014","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223090","21.6583","0.0016","21.6583","0.0016","26.562","0.003","90","","90","","90","","12459.8","1.9","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Sm -","- C56 H86 Br2 Li2 N3 O4 Si2 Sm -","- C448 H688 Br16 Li16 N24 O32 Si16 Sm8 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0873","0.068","","","0.0986","0.1041","","","","","","1.24","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223091","21.6873","0.0019","21.6873","0.0019","26.622","0.003","90","","90","","90","","12521","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 Nd O4 Si2 -","- C56 H86 Br2 Li2 N3 Nd O4 Si2 -","- C448 H688 Br16 Li16 N24 Nd8 O32 Si16 -","8","0.5","","Wang, Chao; Huang, Ling ling; Lu, Min; Zhao, Bei; Wang, Yaorong; Zhang, Yong; Shen, Qi; Yao, Yingming","Anionic phenoxy-amido rare-earth complexes as efficient catalysts for amidation of aldehydes with amines","RSC Adv.","2015","","","","","10.1039/C5RA20285J","","","0.71075","MoKα","","0.0637","0.0479","","","0.1099","0.1199","","","","","","1.099","","","","has coordinates,has disorder","169865","2020-10-21","18:00:00",""
"7223092","9.6537","0.0004","8.3429","0.0003","17.285","0.0007","90","","91.145","0.004","90","","1391.85","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","tauroursodeoxycholic acid","","- C26 H49 N O8 S -","- C26 H49 N O8 S -","- C52 H98 N2 O16 S2 -","2","1","","Xu, Kailin; Zheng, Shoujun; Guo, Liuqi; Li, Shanshan; Wang, Lili; Tang, Peixiao; Yan, Jin; Wu, Di; Li, Hui","Four solid forms of tauroursodeoxycholic acid and solid-state transformations: effects of temperature and milling","RSC Adv.","2015","","","","","10.1039/C5RA18985C","","","0.71073","MoKα","","0.0562","0.0424","","","0.0862","0.0938","","","","","","1.036","","","","has coordinates","169887","2020-10-21","18:00:00",""
"7223093","5.453","0.0005","8.0998","0.0009","14.4067","0.0017","95.208","0.01","98.408","0.009","107.43","0.007","594.44","0.12","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","1","0.5","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0453","0.0369","","","0.0952","0.1024","","","","","","1.033","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223094","8.1058","0.0006","8.5966","0.0007","15.1429","0.0012","90.034","0.004","95.059","0.005","99.868","0.005","1035.4","0.14","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu4 O14 S -","- C12 H22 Cu4 O14 S -","- C24 H44 Cu8 O28 S2 -","2","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0577","0.0486","","","0.1291","0.1368","","","","","","0.928","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223095","16.769","0.012","6.45","0.004","10.595","0.007","90","","95.894","0.007","90","","1139.9","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 O6 S -","- C8 H12 Cu2 O6 S -","- C32 H48 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0887","0.0544","","","0.1071","0.1239","","","","","","1.083","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223096","15.493","0.004","6.449","0.0014","10.597","0.003","90","","97.476","0.007","90","","1049.8","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu2 O6 S -","- C7 H10 Cu2 O6 S -","- C28 H40 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0523","0.0358","","","0.0779","0.0853","","","","","","1.013","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223097","16.394","0.003","13.578","0.003","18.261","0.003","90","","115.509","0.003","90","","3668.6","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Co2 N2 O12 -","- C41 H36 Co2 N2 O11.25 -","- C164 H144 Co8 N8 O45 -","4","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.1473","0.0656","","","0.1215","0.1376","","","","","","0.998","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223098","7.7565","0.0006","9.5643","0.0008","15.1895","0.0014","96.781","0.007","94.868","0.007","110.509","0.007","1038.34","0.16","298.5","0.4","298.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N2 O7 -","- C23 H20 Mn N2 O7 -","- C46 H40 Mn2 N4 O14 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.0887","0.0536","","","0.081","0.0983","","","","","","1.013","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223099","7.3524","0.0004","10.8982","0.0005","24.64","0.0014","90.393","0.004","90.391","0.004","98.794","0.004","1951.03","0.18","298.2","0.5","298.2","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O8 -","- C20 H19 Mn N2 O8 -","- C80 H76 Mn4 N8 O32 -","4","2","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71","MoKα","","0.1091","0.0635","","","0.1347","0.1597","","","","","","0.986","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223100","9.8337","0.0012","10.0529","0.0007","15.735","0.003","98.507","0.01","106.136","0.013","97.295","0.008","1454.5","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Co N4 O5 -","- C34 H27 Co N4 O5 -","- C68 H54 Co2 N8 O10 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","x-ray","0.71073","MoKα","","0.1731","0.0952","","","0.1686","0.2183","","","","","","1.019","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223101","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223102","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223103","6.9264","0.0014","9.7188","0.0019","9.951","0.002","64.11","0.03","71.29","0.03","76.17","0.03","566.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C30 H20 Cl2 -","1","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1607","0.0711","","","0.122","0.1454","","","","","","1.001","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223104","4.622","0.0009","27.568","0.006","9.282","0.0019","90","","103.74","0.03","90","","1148.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2021","0.0856","","","0.142","0.1797","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223105","4.65","0.0009","28.225","0.006","9.326","0.0019","90","","104.36","0.03","90","","1185.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 I2 -","- C30 H20 I2 -","- C60 H40 I4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2034","0.0785","","","0.0977","0.1286","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223106","17.6732","0.0011","7.1183","0.0004","29.6076","0.0017","90","","100.828","0.002","90","","3658.4","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N O -","- C24 H22 N O -","- C192 H176 N8 O8 -","8","1","","Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro","π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.","Physical chemistry chemical physics : PCCP","2015","17","47","31646","31652","10.1039/c5cp05994a","","","0.7107","MoKα","","0.0597","0.0517","","","0.1307","0.1374","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223107","8.7919","0.0006","26.2294","0.0018","8.1257","0.0007","90","","103.413","0.003","90","","1822.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N O -","- C24 H22 N O -","- C96 H88 N4 O4 -","4","1","","Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro","π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.","Physical chemistry chemical physics : PCCP","2015","17","47","31646","31652","10.1039/c5cp05994a","","","0.7107","MoKα","","0.058","0.0467","","","0.1084","0.1159","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223108","11.124","0.005","21.76","0.005","22.119","0.005","90","0.005","90","0.005","90","0.005","5354","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Dy F9 O9 -","- C18 H18 Dy F9 O9 -","- C144 H144 Dy8 F72 O72 -","8","1","","chu, wenyi; Sun, Qingyan; Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Guangming","Luminescent single molecule magnets of a series of β-diketone dysprosium complexes","RSC Adv.","2015","","","","","10.1039/C5RA17358B","","","0.71069","MoKα","","0.0674","0.0528","","","0.1369","0.1495","","","","","","1.04","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223109","12.286","0.005","15.177","0.005","17.897","0.005","93.487","0.005","107.14","0.005","111.979","0.005","2901.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Dy F9 N2 O6 -","- C25 H20 Dy F9 N2 O6 -","- C100 H80 Dy4 F36 N8 O24 -","4","2","","chu, wenyi; Sun, Qingyan; Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Guangming","Luminescent single molecule magnets of a series of β-diketone dysprosium complexes","RSC Adv.","2015","","","","","10.1039/C5RA17358B","","","0.71069","MoKα","","0.1035","0.0832","","","0.2177","0.2494","","","","","","1.08","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223110","16.001","0.005","18.4","0.005","22.106","0.004","90","","114.699","0.015","90","","5913","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Dy F9 N2 O6 -","- C27 H20 Dy F9 N2 O6 -","- C216 H160 Dy8 F72 N16 O48 -","8","2","","chu, wenyi; Sun, Qingyan; Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Guangming","Luminescent single molecule magnets of a series of β-diketone dysprosium complexes","RSC Adv.","2015","","","","","10.1039/C5RA17358B","","","0.71069","MoKα","","0.0785","0.0498","","","0.1333","0.1609","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223111","20.268","0.0008","12.7357","0.0004","21.3024","0.0007","90","0.003","110.614","0.003","90","0.003","5146.7","0.3","298","2","298.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 K8 Na6 O108 Pr2 W22 -","- C4 H6 Ge2 K8 Na6 O108 Pr2 W22 -","- C8 H12 Ge4 K16 Na12 O216 Pr4 W44 -","2","0.5","","Gupta, Rakesh; Hussain, Firasat; Behera, Jogendra Nath; Bossoh, Amoassi Martin; Mbomekalle, Israel Martyr; Oliveira, Pedro Almeida-de","Syntheses, crystal structure, electrochemistry and luminescence properties of lanthano-germanotungstates","RSC Adv.","2015","","","","","10.1039/C5RA19726K","","","0.71073","MoKα","","0.0621","0.0458","","","0.0846","0.0907","","","","","","1.106","","","","has coordinates,has disorder","169942","2020-10-21","18:00:00",""
"7223112","20.2068","0.0006","12.6869","0.0003","21.2464","0.0005","90","","110.76","0.003","90","","5093.1","0.2","298","2","298.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 K8 Na6 O108 Sm2 W22 -","- C4 H6 Ge2 K8 Na6 O108 Sm2 W22 -","- C8 H12 Ge4 K16 Na12 O216 Sm4 W44 -","2","0.5","","Gupta, Rakesh; Hussain, Firasat; Behera, Jogendra Nath; Bossoh, Amoassi Martin; Mbomekalle, Israel Martyr; Oliveira, Pedro Almeida-de","Syntheses, crystal structure, electrochemistry and luminescence properties of lanthano-germanotungstates","RSC Adv.","2015","","","","","10.1039/C5RA19726K","","","0.71073","MoKα","","0.0451","0.038","","","0.0777","0.0804","","","","","","1.153","","","","has coordinates,has disorder","169942","2020-10-21","18:00:00",""
"7223113","20.079","0.0007","12.5625","0.0004","21.1756","0.0007","90","","111.01","0.004","90","","4986.3","0.3","298","2","298.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Ge2 K8 Na4 Nd2 O101 W22 -","- C4 H6 Ge2 K8 Na4 Nd2 O101 W22 -","- C8 H12 Ge4 K16 Na8 Nd4 O202 W44 -","2","0.5","","Gupta, Rakesh; Hussain, Firasat; Behera, Jogendra Nath; Bossoh, Amoassi Martin; Mbomekalle, Israel Martyr; Oliveira, Pedro Almeida-de","Syntheses, crystal structure, electrochemistry and luminescence properties of lanthano-germanotungstates","RSC Adv.","2015","","","","","10.1039/C5RA19726K","","","0.71073","MoKα","","0.0991","0.0625","","","0.1132","0.1292","","","","","","1.067","","","","has coordinates,has disorder","169942","2020-10-21","18:00:00",""
"7223114","13.436","0.003","7.772","0.0016","17.215","0.003","90","","93","0.03","90","","1795.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-((2-hydroxy-naphthylidene) amino) phenoxy) benzene-carboxylic acid","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Anthony, Savarimuthu Philip; Hariharan, P. S.; Kundu, Anu; Moon, Dohyun; Prabakaran, K.","Stimuli responsive reversible high contrast off-on fluorescence switching of simple aryl-ether amine based aggregation induced enhanced emission materials","RSC Adv.","2015","","","","","10.1039/C5RA17570D","","","0.62998","synchrotron","","0.0513","0.044","","","0.1243","0.1295","","","","","","1.057","","","","has coordinates","169943","2020-10-21","18:00:00",""
"7223115","13.709","0.003","5.981","0.0012","19.664","0.004","90","","102.86","0.03","90","","1571.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((E)-(2-phenoxyphenylimino)methyl)-5-methoxyphenol","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Anthony, Savarimuthu Philip; Hariharan, P. S.; Kundu, Anu; Moon, Dohyun; Prabakaran, K.","Stimuli responsive reversible high contrast off-on fluorescence switching of simple aryl-ether amine based aggregation induced enhanced emission materials","RSC Adv.","2015","","","","","10.1039/C5RA17570D","","","0.61","synchrotron","","0.0444","0.0384","","","0.1098","0.1138","","","","","","1.061","","","","has coordinates","169943","2020-10-21","18:00:00",""
"7223116","9.9588","0.0006","11.4669","0.0007","47.914","0.003","90","","90","","90","","5471.6","0.6","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O8 -","- C28 H42 O8 -","- C224 H336 O64 -","8","2","","Devendar, Ponnam; Kumar, Arigari Niranjana; Bethu, M. S.; Zehra, Amtul; Pamanji, R.; Venkateswara Rao, J.; Tiwari, Ashok Kumar; Sridhar, Balasubramanian; Satya Srinivas, K. V. N.; Kumar, J. Kotesh","Highly selective one pot synthesis and biological evaluation of novel 3-(allyloxy)-propylidene acetals of some natural terpenoids","RSC Adv.","2015","5","113","93122","","10.1039/C5RA18517C","","","0.71073","MoKα","","0.1089","0.0834","","","0.1888","0.2049","","","","","","1.107","","","","has coordinates,has disorder","169944","2020-10-21","18:00:00",""
"7223117","9.6861","0.0019","11.136","0.002","12.338","0.003","113.11","0.03","95.32","0.03","113.21","0.03","1075.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N2 O2 P -","- C25 H23 N2 O2 P -","- C50 H46 N4 O4 P2 -","2","1","","Gong, Peng; Ye, Kaiqi; Sun, Jingbo; Chen, Peng; Xue, peng chong; Yang, Hao; Lu, Ran","Electroluminescence and Fluorescence Response towards Acid Vapors Depending on the Structures of Indole-fused Phospholes","RSC Adv.","2015","","","","","10.1039/C5RA19867D","","","0.71073","MoKα","","0.0921","0.0548","","","0.1479","0.1706","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223118","10.649","0.002","10.083","0.002","20.878","0.004","90","","100.74","0.03","90","","2202.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N2 O2 P -","- C26 H25 N2 O2 P -","- C104 H100 N8 O8 P4 -","4","1","","Gong, Peng; Ye, Kaiqi; Sun, Jingbo; Chen, Peng; Xue, peng chong; Yang, Hao; Lu, Ran","Electroluminescence and Fluorescence Response towards Acid Vapors Depending on the Structures of Indole-fused Phospholes","RSC Adv.","2015","","","","","10.1039/C5RA19867D","","","0.71073","MoKα","","0.0756","0.0557","","","0.1571","0.1681","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223119","8.6157","0.0002","9.9155","0.0002","13.1345","0.0004","97.391","0.001","102.24","0.001","109.899","0.001","1006.17","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0563","0.0476","","","0.1207","0.1273","","","","","","1.043","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223120","7.7989","0.0003","9.1669","0.0004","12.4724","0.0006","89.47","0.002","75.754","0.002","76.412","0.003","838.95","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (2:1)","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0705","0.0515","","","0.115","0.1255","","","","","","1.044","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223121","9.201","0.0003","8.7153","0.0003","24.771","0.0011","90","","94.618","0.001","90","","1979.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Propranolol maleate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2376","0.0826","","","0.1179","0.1528","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223123","10.7741","0.0002","11.3507","0.0002","28.2413","0.0006","90","","90","","90","","3453.73","0.11","173","2","173","2","","","","","","","","4","P b n 21","P 2c -2ab","33","Propranolol oxalate methanol solvate (2:1:1)","","","- C34.9 H47.6 N2 O8.9 -","- C34.9 H47.6 N2 O8.9 -","- C139.6 H190.4 N8 O35.6 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2359","0.0792","","","0.1215","0.1601","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223124","12.9928","0.0006","6.4517","0.0003","19.842","0.0013","90","","106.6","0.002","90","","1593.95","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Propranolol oxalate (2:1)","","","- C17 H22 N O4 -","- C17 H22 N O4 -","- C68 H88 N4 O16 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2767","0.1619","","","0.399","0.4529","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223125","7.7629","0.0016","23.525","0.005","7.39","0.0018","90","","111.49","0.02","90","","1255.8","0.5","10","","10","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0937","0.0855","","","0.1759","0.1775","","","","3.05","3.05","2.9","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223126","7.762","0.002","23.519","0.007","7.387","0.002","90","","111.47","0.02","90","","1255","0.6","30","","30","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0991","0.0901","","","0.1729","0.1871","","","","2.98","2.98","3.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223127","7.766","0.002","23.537","0.007","7.395","0.002","90","","111.51","0.02","90","","1257.6","0.6","50","","50","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0901","0.0806","","","0.1581","0.1601","","","","2.73","2.73","2.59","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223128","7.78","0.002","23.541","0.007","7.405","0.002","90","","111.59","0.02","90","","1261.1","0.6","80","","80","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0891","0.0794","","","0.1603","0.1638","","","","2.76","2.76","2.63","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223129","7.792","0.002","23.565","0.007","7.419","0.002","90","","111.7","0.02","90","","1265.7","0.6","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0962","0.0879","","","0.1799","0.1849","","","","3.32","3.32","3.19","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223130","7.808","0.002","23.582","0.007","7.432","0.002","90","","111.81","0.02","90","","1270.5","0.6","140","","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0884","0.0787","","","0.163","0.1649","","","","2.99","2.99","2.81","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223131","7.827","0.002","23.619","0.007","7.447","0.002","90","","111.88","0.02","90","","1277.5","0.6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0861","0.0771","","","0.1575","0.1591","","","","2.9","2.9","2.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223132","7.846","0.002","23.647","0.007","7.46","0.002","90","","112.01","0.02","90","","1283.2","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.085","0.076","","","0.1595","0.1606","","","","3.05","3.05","2.88","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223133","7.865","0.002","23.681","0.008","7.472","0.003","90","","112.1","0.02","90","","1289.4","0.8","230","","230","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0883","0.0786","","","0.1665","0.1708","","","","3.18","3.18","3.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223134","7.889","0.002","23.72","0.008","7.487","0.003","90","","112.22","0.03","90","","1297","0.8","260","","260","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.085","0.0753","","","0.1633","0.1652","","","","3.26","3.26","3.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223135","7.911","0.002","23.76","0.008","7.502","0.003","90","","112.33","0.02","90","","1304.4","0.8","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O3 -","- C12 H10 Cl2 N2 O3 -","- C48 H40 Cl8 N8 O12 -","4","1","","Majerz, Irena; Gutmann, Matthias","Intermolecular OHN hydrogen bond with proton moving in 3-methylpyridinium 2,6-dichloro-4-nitrophenolate","RSC Adv.","2015","","","","","10.1039/C5RA06733B","","neutron","","","","0.0817","0.072","","","0.151","0.1525","","","","3.01","3.01","2.87","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223136","14.9631","0.0004","9.688","0.0003","21.4177","0.0005","90","","100.638","0.002","90","","3051.4","0.15","151","5","151","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MnTECP","5,10,15,20-tetrakis(ethyloxycarbonyl)porphyrin manganese(III) chloride","","- C32 H28 Cl Mn N4 O8 -","- C32 H28 Cl Mn N4 O8 -","- C128 H112 Cl4 Mn4 N16 O32 -","4","1","","Wang, Hua-Hua; Yuan, Hui-Qing; Mahmood, Mian HR; Jiang, Yi-Yu; Cheng, Fan; Shi, Lei; Liu, Hai-Yang","Crystal Structure, Magnetic and Catalytic Oxidation Property of Manganese(III) Tetrakis(ethoxycarbonyl)porphyrin","RSC Adv.","2015","","","","","10.1039/C5RA15943A","","","1.54184","CuKα","","0.0454","0.0409","","","0.1131","0.1197","","","","","","0.9094","","","","has coordinates","169969","2020-10-21","18:00:00",""
"7223137","22.1708","0.0007","8.7244","0.0002","7.7214","0.0002","90","","90","","90","","1493.53","0.07","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 N2 O6 S2 Zn -","- C6 H20 N2 O6 S2 Zn -","- C24 H80 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0381","0.0282","","","0.0622","0.0653","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223138","8.6326","0.0003","7.6916","0.0003","16.5072","0.0005","90","","90","","90","","1096.05","0.07","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H12 N2 O6 S2 Zn -","- C3 H12 N2 O6 S2 Zn -","- C12 H48 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0517","0.032","","","0.0674","0.0737","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223139","17.3344","0.0009","8.489","0.0003","8.166","0.0003","90","","106.855","0.005","90","","1150.02","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 N2 O6 S2 Zn -","- C4 H14 N2 O6 S2 Zn -","- C16 H56 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0376","0.0301","","","0.0701","0.0737","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223140","21.1872","0.0013","8.5354","0.0004","8.0784","0.0004","90","","109.333","0.004","90","","1378.53","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 N2 O6 S2 Zn -","- C6 H18 N2 O6 S2 Zn -","- C24 H72 N8 O24 S8 Zn4 -","4","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0385","0.031","","","0.0781","0.0817","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223141","8.1135","0.0002","8.4917","0.0002","8.8022","0.0003","87.946","0.002","88.256","0.003","63.296","0.002","541.35","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H14 N2 O7 S2 Zn -","- C4 H14 N2 O7 S2 Zn -","- C8 H28 N4 O14 S4 Zn2 -","2","1","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0624","0.0395","","","0.0759","0.0837","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223142","5.4228","0.0003","6.6958","0.0004","9.9304","0.0005","104.871","0.003","95.917","0.003","99.602","0.003","339.56","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H20 Mn N2 O10 S2 -","- C4 H20 Mn N2 O10 S2 -","- C4 H20 Mn N2 O10 S2 -","1","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, Jogendra Nath","Organically Templated Linear Metal Sulfites","RSC Adv.","2015","","","","","10.1039/C5RA20932C","","","0.71073","MoKα","","0.0385","0.0313","","","0.0778","0.0806","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223143","12.087","0.002","14.937","0.003","15.076","0.003","90","","98.45","0.03","90","","2692.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl2 Dy2 N10 O26 -","- C39 H46 Cl2 Dy2 N10 O26 -","- C78 H92 Cl4 Dy4 N20 O52 -","2","0.5","","Zou, Xiaoyan; Yan, Pengfei; Dong, Yanping; Luan, Fang; Li, Guangming","Magnetic dynamics of two salen type Dy2 complexes modulated by coordination geometry","RSC Adv.","2015","","","","","10.1039/C5RA18244A","","","0.71073","MoKα","","0.0436","0.0322","","","0.0657","0.0697","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223144","10.963","0.002","10.998","0.002","18.653","0.004","92","0.03","106.7","0.03","92.49","0.03","2149.5","0.8","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C72 H70 Cl4 Dy2 N14 O28 -","- C72 H70 Cl4 Dy2 N14 O28 -","- C72 H70 Cl4 Dy2 N14 O28 -","1","1","","Zou, Xiaoyan; Yan, Pengfei; Dong, Yanping; Luan, Fang; Li, Guangming","Magnetic dynamics of two salen type Dy2 complexes modulated by coordination geometry","RSC Adv.","2015","","","","","10.1039/C5RA18244A","","","0.71073","MoKα","","0.0513","0.0403","","","0.0966","0.1023","","","","","","1.068","","","","has coordinates","170006","2020-10-21","18:00:00",""
"7223145","9.625","0.0003","13.5168","0.0004","23.6869","0.0007","90","","111.174","0.001","90","","2873.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Eu2 N3 O21 -","- C21 H21 Eu2 N3 O21 -","- C84 H84 Eu8 N12 O84 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0183","0.0161","","","0.039","0.0401","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223146","9.557","0.0019","13.361","0.003","23.414","0.006","90.16","0.03","111.68","0.03","89.29","0.03","2778","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O21 Tb2 -","- C21 H21 N3 O21 Tb2 -","- C84 H84 N12 O84 Tb8 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0315","0.0263","","","0.0659","0.0692","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223147","8.234","0.0016","10.489","0.002","13.085","0.003","93.86","0.03","102.68","0.03","106.85","0.03","1044.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H3 Gd2 N O20 -","- C11 H3 Gd2 N O20 -","- C22 H6 Gd4 N2 O40 -","2","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0257","0.022","","","0.0804","0.0948","","","","","","1.274","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223148","10.5042","0.0013","43.81","0.004","43.81","0.004","90","","90","","90","","20161","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Cd N2 O4 -","- C27 H22 Cd N2 O4 -","- C864 H704 Cd32 N64 O128 -","32","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0663","0.0422","","","0.0941","0.1101","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223149","10.0555","0.0015","18.049","0.003","10.8042","0.0017","90","","107.127","0.005","90","","1873.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cu2 N2 O8 -","- C41 H30 Cu2 N2 O8 -","- C82 H60 Cu4 N4 O16 -","2","0.5","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0595","0.0371","","","0.0801","0.0888","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223151","10.592","0.004","11.235","0.005","13.182","0.007","93.99","0.03","102.12","0.02","108.62","0.02","1437.5","1.2","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Br4 N2 S -","- C31 H24 Br4 N2 S -","- C62 H48 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.28","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223152","9.182","0.0018","9.6642","0.0019","14.466","0.003","83.296","0.004","75.723","0.004","73.399","0.004","1190.7","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0635","0.044","","","0.1018","0.1098","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223153","8.1907","0.0013","9.497","0.0015","15.261","0.002","90.457","0.003","96.073","0.004","98.192","0.003","1168.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0601","0.0428","","","0.1066","0.1136","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223154","7.7119","0.001","10.6252","0.0015","15.117","0.002","98.268","0.003","99.55","0.003","101.403","0.003","1177.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0827","0.0524","","","0.1312","0.1446","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223155","9.488","0.004","10.506","0.006","13.679","0.008","88.73","0.04","76.54","0.04","78.5","0.04","1299","1.2","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br4 N2 S -","- C27 H22 Br4 N2 S -","- C54 H44 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.048","","","","0.051","","","","","","1.45","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223156","6.327","","12.671","","15.684","","95.69","","99.77","","98.01","","1217.3","","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H26 O20 Zn5 -","- C42 H26 O20 Zn5 -","- C42 H26 O20 Zn5 -","1","0.5","","Huang, wenhuan; Li, Jiazhi; Liu, Tong; Gao, Lu-Sha; Jiang, Min; Zhang, Yanan; Wang, Yao-Yu","A Stable 3D Porous Coordination Polymer as Multi-Chemosensor to Cr(IV) anion and Fe(III) cation and Its Selective Adsorption of Malachite Green Oxalate Dye","RSC Adv.","2015","","","","","10.1039/C5RA20015F","","","0.71073","MoKα","","0.053","0.0432","","","0.139","0.1454","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223157","9.556","0.0007","13.9607","0.001","19.49","0.0014","109.126","0.006","91.419","0.005","95.515","0.005","2440.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 Ag B Cl6 F4 N2 O P2 -","- C48 H38 Ag B Cl6 F4 N2 O P2 -","- C96 H76 Ag2 B2 Cl12 F8 N4 O2 P4 -","2","1","","Moudam, Omar; Tsipis, Athanassios C.; Kommanaboyina, Srikanth; Horton, Peter N.; Coles, Simon J.","First light-emitting electrochemical cell with [Ag(i)(N^N)(P^P)] type complex","RSC Adv.","2015","5","115","95047","","10.1039/C5RA12921D","","","0.71075","MoKα","","0.0553","0.0503","","","0.1334","0.1388","","","","","","1.021","","","","has coordinates","170139","2020-10-21","18:00:00",""
"7223158","11.144","0.002","13.3","0.003","19.616","0.004","90","","106.05","0.03","90","","2794.1","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 F4 N5 -","- C34 H21 F4 N5 -","- C136 H84 F16 N20 -","4","1","","Feng, Ru; Ou, Zhongping; Xue, zhaoli; Fang, Yuanyuan; Song, Yang; Kadish, K. M.","Meso-aryl substituted free-base tripyrrins: preparation and electrochemically induced protonation/deprotonation reactions. Single crystal X-ray analysis of (2,6-diFPh)2TriPyH","RSC Adv.","2015","","","","","10.1039/C5RA19603E","","","0.71073","MoKα","","0.0544","0.0448","","","0.0949","0.1013","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223159","14.646","0.0007","13.0224","0.0009","7.4486","0.0006","90","","90","","90","","1420.64","0.17","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ammonium dihydrogen phosphoenolpyruvate","","","- C3 H8 N O6 P -","- C3 H8 N O6 P -","- C24 H64 N8 O48 P8 -","8","1","","Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemyslaw","Charge density distribution and theoretical analysis of low and high energy phosphate esters","RSC Adv.","2015","","","","","10.1039/C5RA12605C","","","0.7107","MoKα","","0.024","0.014","","","","0.014","","","","","","1.589","","","","has coordinates","170141","2020-10-21","18:00:00",""
"7223160","13.189","0.004","8.079","0.003","13.804","0.004","90","","91.27","0.03","90","","1470.5","0.8","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diammonium hydrogen phoshoglycolate","","","- C2 H11 N2 O6 P -","- C2 H11 N2 O6 P -","- C16 H88 N16 O48 P8 -","8","2","","Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemyslaw","Charge density distribution and theoretical analysis of low and high energy phosphate esters","RSC Adv.","2015","","","","","10.1039/C5RA12605C","","","0.7107","MoKα","","0.033","0.018","","","","0.017","","","","","","1.47","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223161","17.7929","0.0011","17.7444","0.0012","28.2638","0.0018","90","","97.522","0.001","90","","8846.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Br3 Hg1.5 N4 O5.5 S1.5 -","- C38 H32 Br3 Hg1.5 N4 O4 -","- C304 H256 Br24 Hg12 N32 O32 -","8","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0722","0.0486","","","0.1105","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223162","9.108","0.002","15.513","0.003","30.601","0.007","90","","90.472","0.003","90","","4323.5","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Hg2 I4 N5 O4 -","- C40 H35 Hg2 I4 N5 O4 -","- C160 H140 Hg8 I16 N20 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0473","0.0422","","","0.0976","0.0996","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223163","8.9084","0.0019","14.54","0.003","15.73","0.003","71.47","0.003","89.982","0.003","77.678","0.003","1882.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C58 H62 Hg4 I8 N8 O9 S -","4","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0508","0.047","","","0.1257","0.1297","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223164","12.5139","0.0008","26.9719","0.0017","16.546","0.0011","90","","92.418","0.001","90","","5579.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 Hg2 I4 N6 O5.5 S1.5 -","- C44 H34 Hg2 I4 N6 O4 -","- C176 H136 Hg8 I16 N24 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0695","0.0607","","","0.1696","0.1747","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223165","14.9034","0.0012","14.5799","0.0012","15.1148","0.0012","90","","117.776","0.001","90","","2905.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Ag F6 N4 O4 P -","- C28 H28 Ag F6 N4 O4 P -","- C112 H112 Ag4 F24 N16 O16 P4 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0356","0.0325","","","0.0866","0.0894","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223167","12.7163","0.0019","14.533","0.002","14.628","0.002","62.589","0.002","83.154","0.002","74.119","0.002","2308.2","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Ag F6 N6 O7.5 P S -","- C46 H40 Ag F6 N6 O7.5 P S -","- C92 H80 Ag2 F12 N12 O15 P2 S2 -","2","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0765","0.0548","","","0.1317","0.1485","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223168","16.7572","0.0003","12.434","0.0002","19.4838","0.0003","90","","91.3502","0.0015","90","","4058.5","0.12","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ce(hfac)3(BrPyDTDA)2]","","","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C108 H36 Br8 Ce4 F72 N24 O24 S16 -","4","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","1.54184","CuKα","","0.0644","0.058","","","0.1445","0.1486","","","","","","1.071","","","","has coordinates","170196","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223170","13.329","0.001","10.348","0.001","23.849","0.002","90","","92.199","0.002","90","","3287","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Eu N6 O10 -","- C33 H25 Eu N6 O10 -","- C132 H100 Eu4 N24 O40 -","4","1","","Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang","Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA21607A","","","0.71073","MoKα","","0.0982","0.0482","","","0.0994","0.1182","","","","","","0.965","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223171","13.376","0.001","10.305","0.001","23.9","0.002","90","","92.146","0.001","90","","3292.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N6 O10 Tb -","- C33 H25 N6 O10 Tb -","- C132 H100 N24 O40 Tb4 -","4","1","","Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang","Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA21607A","","","0.71073","MoKα","","0.0828","0.0472","","","0.1064","0.1228","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223172","15.873","0.001","22.954","0.002","8.926","0.001","90","","104.803","0.001","90","","3144.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Eu N6 O8 -","- C33 H25 Eu N6 O8 -","- C132 H100 Eu4 N24 O32 -","4","1","","Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang","Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA21607A","","","0.71073","MoKα","","0.0371","0.028","","","0.0651","0.0693","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223173","15.896","0.001","22.952","0.002","8.93","0.018","90","","104.757","0.001","90","","3151","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Gd N6 O8 -","- C33 H25 Gd N6 O8 -","- C132 H100 Gd4 N24 O32 -","4","1","","Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang","Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA21607A","","","0.71073","MoKα","","0.0429","0.0279","","","0.0657","0.0811","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223174","15.86","0.002","22.849","0.003","8.889","0.001","90","","104.73","0.002","90","","3115.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16.67 N4 O5.33 Tb0.67 -","- C22 H16.6667 N4 O5.33333 Tb0.666667 -","- C132 H100 N24 O32 Tb4 -","6","1.5","","Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang","Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate","RSC Adv.","2015","","","","","10.1039/C5RA21607A","","","0.71073","MoKα","","0.0424","0.0294","","","0.0625","0.0669","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223175","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223176","12.918","0.0005","14.8371","0.0006","15.9001","0.0005","91.322","0.003","104.162","0.003","90.048","0.003","2954.03","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cd2 N4 O14 -","- C68 H56 Cd2 N4 O14 -","- C136 H112 Cd4 N8 O28 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","0.71073","MoKα","","0.0512","0.0327","","","0.0647","0.0706","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223184","5.1765","0.001","15.228","0.003","21.041","0.004","90","","93.91","0.03","90","","1654.8","0.6","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-BA cocrystal","","- C17 H14 F3 N O5 -","- C17 H14 F3 N O5 -","- C68 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.072","0.0651","","","0.15","0.1552","","","","","","1.179","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223185","17.345","0.007","5.1415","0.0017","19.447","0.007","90","","112.506","0.005","90","","1602.2","1","110","","110","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Triflusal-Isonicotinamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C64 H52 F12 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0686","0.0559","","","0.1566","0.1782","","","","","","1.108","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223186","5.5536","0.0011","11.95","0.002","12.2","0.002","96.01","0.03","94.85","0.03","95.99","0.03","797.1","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","Triflusal-2-Picoliniamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C32 H26 F6 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.0456","0.0442","","","0.1184","0.1198","","","","","","1.086","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223187","18.729","0.006","9.921","0.003","8.067","0.003","90","","97.605","0.004","90","","1485.7","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-Propionamide cocrystal","","- C13 H14 F3 N O5 -","- C13 H14 F3 N O5 -","- C52 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0453","0.0414","","","0.1118","0.1157","","","","","","1.067","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223188","14.601","0.003","10.92","0.002","15.342","0.003","90","","102.49","0.03","90","","2388.3","0.9","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triflusal-urea cocrystal","","- C21 H18 F6 N2 O9 -","- C21 H18 F6 N2 O9 -","- C84 H72 F24 N8 O36 -","4","0.5","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.04","0.0396","","","0.1075","0.1079","","","","","","1.061","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223189","19.8545","0.0008","5.06409","0.00017","21.853","0.0011","90","","114.362","0.006","90","","2001.56","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-valpromide cocrystal","","- C18 H24 F3 N O5 -","- C18 H24 F3 N O5 -","- C72 H96 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","x-ray","0.71073","MoKα","","0.0557","0.0456","","","0.1106","0.1167","","","","","","1.042","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223190","5.4112","0.0003","14.2338","0.0007","8.9052","0.0004","90","","95.922","0.005","90","","682.24","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mg2 N2 O14 P2 -","- C4 H16 Mg2 N2 O14 P2 -","- C8 H32 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0426","0.034","","","0.086","0.0924","","","","","","1.067","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223191","5.4134","0.0002","15.259","0.0006","9.0176","0.0004","90","","94.704","0.004","90","","742.37","0.05","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 Mg2 N2 O14 P2 -","- C5 H6 Mg2 N2 O14 P2 -","- C10 H12 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0539","0.0464","","","0.1188","0.1248","","","","","","1.113","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223192","7.6627","0.0003","7.8432","0.0003","9.7695","0.0003","72.092","0.003","83.275","0.003","84.998","0.003","554.04","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","1","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0419","0.0416","","","0.1107","0.1112","","","","","","1.114","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223194","9.3755","0.0002","7.4746","0.0001","15.431","0.0002","90","","100.119","0.002","90","","1064.55","0.03","292.1","0.3","292.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Mg N O9 P -","- C6 H12 Mg N O9 P -","- C24 H48 Mg4 N4 O36 P4 -","4","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0452","0.042","","","0.1123","0.1159","","","","","","1.116","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223195","15.1014","0.0002","10.96857","0.00017","22.3338","0.0004","90","","103.099","0.0015","90","","3603.12","0.1","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 Mg4 N3 O30 P3 -","- C18 H34 Mg4 N3 O30 P3 -","- C72 H136 Mg16 N12 O120 P12 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0514","0.0486","","","0.1333","0.1366","","","","","","1.032","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223197","9.3254","0.0002","9.428","0.0003","14.306","0.0004","96.449","0.002","103.879","0.002","104.35","0.002","1163.07","0.06","292.8","0.4","292.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 Mg2 N3 O19 P2 -","- C10 H27 Mg2 N3 O19 P2 -","- C20 H54 Mg4 N6 O38 P4 -","2","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0487","0.0462","","","0.1285","0.1327","","","","","","1.063","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223206","5.8376","0.0002","11.9174","0.0004","12.2331","0.0005","90","","94.745","0.004","90","","848.13","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O7 -","- C19 H21 N O7 -","- C38 H42 N2 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","","0.71073","MoKα","","0.045","0.0346","","","0.075","0.0776","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223207","5.9539","0.0002","5.7856","0.0002","25.961","0.0011","90","","91.139","0.004","90","","894.1","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N3 O7 -","- C19 H19 N3 O7 -","- C38 H38 N6 O14 -","2","1","","Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C.","Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents","RSC Adv.","2015","5","116","96222","","10.1039/C5RA19192K","","x-ray","0.71073","MoKα","","0.0557","0.0417","","","0.0815","0.0978","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223208","12.9648","0.0008","23.1129","0.0013","13.4817","0.0008","90","","109.069","0.002","90","","3818.2","0.4","297.04","","297.04","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 La2 N4 O12 -","- C84 H82 La2 N4 O12 -","- C168 H164 La4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0591","0.0401","","","0.0705","0.0779","","","","","","1.045","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223209","12.9263","0.0007","23.1494","0.0014","13.4675","0.0008","90","","109.157","0.001","90","","3806.8","0.4","297.7","","297.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Ce2 N4 O12 -","- C84 H82 Ce2 N4 O12 -","- C168 H164 Ce4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0354","0.0277","","","0.052","0.0552","","","","","","1.061","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223210","12.8915","0.0006","23.1403","0.0011","13.4533","0.0006","90","","109.287","0.001","90","","3788.1","0.3","297.65","","297.65","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Pr2 -","- C84 H82 N4 O12 Pr2 -","- C168 H164 N8 O24 Pr4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0524","0.0324","","","0.0539","0.0588","","","","","","1.01","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223211","12.8651","0.0006","23.1584","0.001","13.4478","0.0006","90","","109.408","0.001","90","","3778.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 Nd2 O12 -","- C84 H82 N4 Nd2 O12 -","- C168 H164 N8 Nd4 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0412","0.033","","","0.0597","0.0634","","","","","","1.107","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223212","12.81","0.002","23.16","0.004","13.434","0.002","90","","109.337","0.004","90","","3760.8","1","299.26","","299.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Sm2 -","- C84 H82 N4 O12 Sm2 -","- C168 H164 N8 O24 Sm4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0457","0.0324","","","0.0552","0.059","","","","","","1.038","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223213","12.7972","0.0017","23.189","0.003","13.4405","0.0018","90","","109.241","0.003","90","","3765.7","0.9","298","2","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Eu2 N4 O12 -","- C84 H82 Eu2 N4 O12 -","- C168 H164 Eu4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0426","0.0377","","","0.0783","0.0829","","","","","","1.24","","","","has coordinates,has disorder","170258","2020-10-21","18:00:00",""
"7223214","12.8326","0.0006","22.9406","0.001","13.4767","0.0006","90","","109.053","0.001","90","","3750","0.3","298.84","","298.84","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Gd2 N4 O12 -","- C84 H82 Gd2 N4 O12 -","- C168 H164 Gd4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0402","0.0295","","","0.0484","0.0512","","","","","","1.06","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223215","12.8517","0.0015","22.976","0.003","13.4781","0.0015","90","","109.129","0.003","90","","3760.1","0.8","299","2","299.28","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 N4 O12 Tb2 -","- C84 H82 N4 O12 Tb2 -","- C168 H164 N8 O24 Tb4 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.0314","0.0296","","","0.0686","0.0711","","","","","","1.237","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223216","12.8518","0.0008","22.9659","0.0014","13.455","0.0008","90","","109.12","0.002","90","","3752.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Dy2 N4 O12 -","- C84 H82 Dy2 N4 O12 -","- C168 H164 Dy4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.1027","0.0987","","","0.2125","0.2143","","","","","","1.28","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223217","12.819","0.003","22.916","0.004","13.425","0.003","90","","109.174","0.004","90","","3725","1.4","301","2","301","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H82 Ho2 N4 O12 -","- C84 H82 Ho2 N4 O12 -","- C168 H164 Ho4 N8 O24 -","2","1","","Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng","Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate","RSC Adv.","2015","","","","","10.1039/C5RA14559G","","","0.71073","MoKα","","0.08","0.0419","","","0.0488","0.0551","","","","","","0.967","","","","has coordinates","170258","2020-10-21","18:00:00",""
"7223218","13.412","0.003","10.469","0.002","29.031","0.007","90","","100.999","0.019","90","","4001.4","1.5","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C84 H74 Fe N7 O4 -","- C84 H74 Fe N7 O4 -","- C168 H148 Fe2 N14 O8 -","2","0.5","","Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev","Arene-based Fluorescent Probes for the Selective Detection of Iron","RSC Adv.","2015","","","","","10.1039/C5RA20760F","","","0.71073","MoKα","","0.256","0.1191","","","0.2699","0.3413","","","","","","0.871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223219","7.4","0.003","10.351","0.003","11.137","0.004","63.632","0.009","84.599","0.015","80.315","0.016","753.2","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C38 H26 Cl2 N4 O2 -","2","1","","Wang, Li-Xia; hu, benquan; shen, gang; Tang, Yalin; Yang, Luo","Copper-catalyzed domino reaction to construct functionalized indolizinones","RSC Adv.","2015","","","","","10.1039/C5RA20119E","","","0.71073","MoKα","","0.0633","0.0613","","","0.2141","0.2158","","","","","","1.788","","","","has coordinates","170260","2020-10-21","18:00:00",""
"7223220","21.129","0.004","7.8255","0.0016","24.473","0.005","90","","114.46","0.03","90","","3683.3","1.5","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cu N4 O14 -","- C34 H46 Cu N4 O14 -","- C136 H184 Cu4 N16 O56 -","4","0.5","","Wang, Li-Xia; hu, benquan; shen, gang; Tang, Yalin; Yang, Luo","Copper-catalyzed domino reaction to construct functionalized indolizinones","RSC Adv.","2015","","","","","10.1039/C5RA20119E","","","0.71073","MoKα","","0.0988","0.0945","","","0.2122","0.2145","","","","","","1.237","","","","has coordinates","170260","2020-10-21","18:00:00",""
"7223221","7.3668","0.0008","8.7106","0.0009","9.7905","0.001","91.328","0.002","92.013","0.002","96.6198","0.0019","623.44","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 O4 P2 -","- C30 H24 O4 P2 -","- C30 H24 O4 P2 -","1","0.5","","Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh","Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT","RSC Adv.","2015","","","","","10.1039/C5RA15645A","","","0.71073","MoKα","","0.0644","0.0467","","","0.0989","0.1081","","","","","","1.029","","","","has coordinates","170261","2020-10-21","18:00:00",""
"7223222","9.0016","0.0012","9.2252","0.0012","14.687","0.002","78.123","0.01","87.443","0.011","67.904","0.01","1105.1","0.3","292","2","292","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 O4 P2 Sn2 -","- C42 H34 Cl6 O4 P2 Sn2 -","- C42 H34 Cl6 O4 P2 Sn2 -","1","0.5","","Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh","Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT","RSC Adv.","2015","","","","","10.1039/C5RA15645A","","","0.71073","MoKα","","0.0271","0.023","","","0.0656","0.0685","","","","","","1.145","","","","has coordinates","170261","2020-10-21","18:00:00",""
"7223223","9.1485","0.0005","10.3271","0.0006","13.8774","0.0008","84.115","0.004","82.537","0.004","81.294","0.004","1280.41","0.13","292","2","292","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cl4 O4 P2 Sn2 -","- C54 H44 Cl4 O4 P2 Sn2 -","- C54 H44 Cl4 O4 P2 Sn2 -","1","0.5","","Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh","Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT","RSC Adv.","2015","","","","","10.1039/C5RA15645A","","","0.71073","MoKα","","0.0307","0.0252","","","0.0557","0.0571","","","","","","1.058","","","","has coordinates","170261","2020-10-21","18:00:00",""
"7223224","9.1301","0.0003","11.5145","0.0003","14.8677","0.0004","85.972","0.001","81.812","0.001","69.893","0.001","1452.41","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 Cl2 O4 P2 Sn2 -","- C66 H54 Cl2 O4 P2 Sn2 -","- C66 H54 Cl2 O4 P2 Sn2 -","1","0.5","","Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh","Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT","RSC Adv.","2015","","","","","10.1039/C5RA15645A","","","0.71073","MoKα","","0.0201","0.0184","","","0.0464","0.0472","","","","","","1.001","","","","has coordinates","170261","2020-10-21","18:00:00",""
"7223225","14.3031","0.0005","14.3031","0.0005","16.4279","0.0015","90","","90","","90","","3360.8","0.3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H6 Cd K2 N2 O8 -","- C14 H6 Cd K2 N2 O8 -","- C112 H48 Cd8 K16 N16 O64 -","8","0.5","","Zhou, Zhong-Yuan; Li, Qipeng; Han, Yun-Hu; Xing, Xiu-Shuang; Du, Shaowu","A highly connected (5,5,18)-c trinodal MOF with a 3D diamondoid inorganic connectivity: Tunable luminescence and white-light emission","RSC Adv.","2015","","","","","10.1039/C5RA20142J","","","0.71073","MoKα","","0.0599","0.0458","","","0.1457","0.1676","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223226","11.701","0.005","13.019","0.005","13.324","0.005","75.103","0.005","69.336","0.005","85.16","0.005","1835.3","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","beta-dicyanovinyl subtituted NiTPP","2-(dicyanovinyl)-5,10,15,20-tetraphenylporphyrinato Nickel(II)","","- C48 H28 N6 Ni -","- C48 H28 N6 Ni -","- C96 H56 N12 Ni2 -","2","1","","Chahal, Mandeep Kaur; Muniappan, Sankar","Porphyrin Chemodosimeters: Synthesis, Electrochemical Redox Properties and Selective ‘Naked-eye’ Detection of Cyanide Ions","RSC Adv.","2015","","","","","10.1039/C5RA19847J","","","0.71073","MoKα","","0.1362","0.0515","","","0.1189","0.1669","","","","","","0.937","","","","has coordinates","170263","2020-10-21","18:00:00",""
"7223227","6.2337","0.0004","6.7932","0.0005","7.4636","0.0005","67.872","0.001","72.638","0.001","63.296","0.001","258.35","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C8 H6 K2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0322","0.0243","","","0.0583","0.0611","","","","","","1.031","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223228","6.2351","0.0004","6.8144","0.0005","7.4635","0.0005","67.999","0.001","72.7","0.001","63.337","0.001","259.54","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C8 H6 K2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0248","0.0233","","","0.0612","0.0625","","","","","","1.083","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223229","6.2374","0.0004","6.8401","0.0004","7.4662","0.0004","68.133","0.001","72.766","0.001","63.394","0.001","261.08","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C8 H6 K2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0261","0.024","","","0.0658","0.0679","","","","","","1.101","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223230","6.2401","0.0003","6.8687","0.0004","7.4695","0.0004","68.27","0.001","72.836","0.001","63.45","0.001","262.78","0.02","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C8 H6 K2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0262","0.0243","","","0.0676","0.0697","","","","","","1.27","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223231","6.2421","0.0004","6.8981","0.0005","7.4726","0.0005","68.407","0.001","72.903","0.001","63.504","0.001","264.48","0.03","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C8 H6 K2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0274","0.0247","","","0.0679","0.0701","","","","","","1.188","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223232","5.3257","0.0001","6.488","0.0001","7.934","0.0002","82.04","0.001","87.928","0.001","67.23","0.001","250.298","0.009","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Na O4 -","- C4 H3 Na O4 -","- C8 H6 Na2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0341","0.0292","","","0.0888","0.0926","","","","","","1.047","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223233","5.3352","0.0005","6.5195","0.0006","7.9435","0.0007","82.093","0.002","87.953","0.002","67.23","0.002","252.3","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Na O4 -","- C4 H3 Na O4 -","- C8 H6 Na2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0341","0.0311","","","0.0829","0.0855","","","","","","1.053","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223234","5.3403","0.0005","6.5443","0.0006","7.9451","0.0007","82.134","0.002","87.969","0.002","67.198","0.002","253.51","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Na O4 -","- C4 H3 Na O4 -","- C8 H6 Na2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0346","0.0314","","","0.0838","0.0871","","","","","","1.079","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223235","5.3472","0.0006","6.5737","0.0007","7.9466","0.0008","82.191","0.002","87.998","0.002","67.167","0.002","255.01","0.05","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Na O4 -","- C4 H3 Na O4 -","- C8 H6 Na2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0367","0.0333","","","0.0888","0.0922","","","","","","1.07","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223236","5.3534","0.0007","6.6038","0.0009","7.9446","0.0011","82.252","0.003","88.021","0.003","67.127","0.002","256.37","0.06","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Na O4 -","- C4 H3 Na O4 -","- C8 H6 Na2 O8 -","2","1","","Ananyev, Ivan V.; Bushmarinov, Ivan S.; Ushakov, Ivan E.; Aitkulova, Liliya I.; Lyssenko, Konstantin A.","Tuning of double-well potential of short strong hydrogen bond by ionic interactions in alkali metal hydrodicarboxylates","RSC Adv.","2015","","","","","10.1039/C5RA19870D","","","0.71073","MoKα","","0.0396","0.0347","","","0.091","0.0953","","","","","","1.067","","","","has coordinates","170264","2020-10-21","18:00:00",""
"7223237","7.622","0.003","11.018","0.004","20.912","0.008","90","","90","","90","","1756.2","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Yang, Wenchao; Miao, Tao; Li, Pinhua; Wang, Lei","Regioselective synthesis of triazoles via base-promoted oxidative cycloaddition of chalcones with azides in aqueous solution","RSC Adv.","2015","5","116","95833","","10.1039/C5RA16974G","","","0.71073","MoKα","","0.0494","0.0369","","","0.0768","0.0832","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223252","11.0638","0.0004","10.8218","0.0004","11.7331","0.0004","90","","100.81","0.003","90","","1379.88","0.09","294","2","294","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","8-cyclopentyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0591","0.0457","","","0.1257","0.136","","","","","","1.038","","","","has coordinates,has disorder","170310","2020-10-21","18:00:00",""
"7223253","5.8267","0.0003","11.0347","0.0005","21.6517","0.0014","90","","97.322","0.005","90","","1380.76","0.13","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","","8-isobutyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","2","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0572","0.0449","","","0.1111","0.1229","","","","","","1.059","","","","has coordinates,has disorder","170310","2020-10-21","18:00:00",""
"7223254","5.8134","0.0004","10.7208","0.0007","19.8086","0.0017","90","","90","","90","","1234.56","0.16","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","8-cyclopropyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0688","0.0448","","","0.0982","0.1115","","","","","","1.025","","","","has coordinates","170310","2020-10-21","18:00:00",""
"7223255","9.1244","0.0003","14.5321","0.0005","21.2515","0.0006","90","","90","","90","","2817.88","0.16","294","2","294","2","","","","","","","synthetic","3","P b c a","-P 2ac 2ab","61","","10-methyl-8-phenyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0612","0.0435","","","0.1055","0.1159","","","","","","1.022","","","","has coordinates","170310","2020-10-21","18:00:00",""
"7223256","9.6789","0.0005","9.1089","0.0004","20.6717","0.0009","90","","93.303","0.002","90","","1819.47","0.15","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O4 P -","- C15 H24 N2 O4 P -","- C60 H96 N8 O16 P4 -","4","1","","BERREDJEM, MALIKA; BOUZINA, ABDESLEM; Aouf, Nour-Eddine; Bouacida, Sofiane; Merazig, Hocine","A greener procedure for the synthesis of α-ureidophosphonates under ultrasound irradiation. X-ray crystallographic study","RSC Adv.","2015","","","","","10.1039/C5RA19886K","","x-ray","0.71073","MoKα","","0.0977","0.0675","","","0.1907","0.216","","","","","","1.032","","","","has coordinates,has disorder","170311","2020-10-21","18:00:00",""
"7223257","8.5162","0.0005","7.987","0.0005","27.2258","0.0015","90","","93.39","0.001","90","","1848.63","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 I2 O4 S2 -","- C16 H16 I2 O4 S2 -","- C64 H64 I8 O16 S8 -","4","1","","Peng, Kai; Pei, Tong; Li, Zhaoxiang; Huang, Lili; Xia, Jiangbin","Investigation of Substitution Effect on Poly(bis-3,4-ethylenedioxythiophene methine)s through Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA21122K","","","0.71073","MoKα","","0.0309","0.0264","","","0.0773","0.1031","","","","","","1.255","","","","has coordinates","170312","2020-10-21","18:00:00",""
"7223258","16.083","0.0007","16.083","","7.8168","0.0004","90","","90","","90","","2021.92","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 I2 O4 S2 -","- C19 H14 I2 O4 S2 -","- C76 H56 I8 O16 S8 -","4","1","","Peng, Kai; Pei, Tong; Li, Zhaoxiang; Huang, Lili; Xia, Jiangbin","Investigation of Substitution Effect on Poly(bis-3,4-ethylenedioxythiophene methine)s through Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA21122K","","","0.71073","MoKα","","0.0188","0.0184","","","0.0438","0.044","","","","","","1.05","","","","has coordinates","170312","2020-10-21","18:00:00",""
"7223259","16.947","0.002","9.1615","0.0013","15.24","0.002","90","","106.051","0.004","90","","2273.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 I2 O4 S2 -","- C23 H16 I2 O4 S2 -","- C92 H64 I8 O16 S8 -","4","1","","Peng, Kai; Pei, Tong; Li, Zhaoxiang; Huang, Lili; Xia, Jiangbin","Investigation of Substitution Effect on Poly(bis-3,4-ethylenedioxythiophene methine)s through Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA21122K","","","0.71073","MoKα","","0.1349","0.0735","","","0.1838","0.2114","","","","","","1.063","","","","has coordinates","170312","2020-10-21","18:00:00",""
"7223260","6.0219","0.0006","10.9014","0.001","19.3876","0.0019","90","","90","","90","","1272.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Qi, Xueyu; Xiang, Haoyue; Yang, Yuhong; Yang, Chunhao","Synthesis of substituted pyrroles using a silver-catalysed reaction between isocyanoacetates/benzyl isocyanides and chromones.","RSC Adv.","2015","","","","","10.1039/C5RA21915A","","","0.71073","MoKα","","0.036","0.0334","","","0.0887","0.091","","","","","","1.029","","","","has coordinates","170313","2020-10-21","18:00:00",""
"7223261","10.635","0.0014","6.838","0.0007","33.586","0.004","90","","90","","90","","2442.4","0.5","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 N2 O4 Pd -","- C22 H32 N2 O4 Pd -","- C88 H128 N8 O16 Pd4 -","4","1","","karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein","Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst","RSC Adv.","2015","","","","","10.1039/C5RA17249G","","","0.71073","MoKα","","0.0979","0.0583","","","0.0947","0.1071","","","","","","1.123","","","","has coordinates","170314","2020-10-21","18:00:00",""
"7223262","9.0679","0.0003","8.3144","0.0003","26.1253","0.0011","90","","90","","90","","1969.69","0.13","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","0.5","","karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein","Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst","RSC Adv.","2015","","","","","10.1039/C5RA17249G","","x-ray","1.54184","CuKα","","0.022","0.0194","","","0.0288","0.0302","","","","1.91","1.91","1.88","","","","has coordinates","170314","2020-10-21","18:00:00",""
"7223271","11.8248","0.0012","8.3843","0.0007","19.403","0.002","90","","96.794","0.012","90","","1910.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 I N2 Pt -","- C18 H24 I N2 Pt -","- C72 H96 I4 N8 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine","Exchange of pyridine and bipyridine ligands in trimethylplatinum(IV) iodide complexes: Substituent and solvent effects","RSC Adv.","2015","","","","","10.1039/C5RA16541E","","","0.71073","MoKα","","0.0269","0.0236","","","0.0561","0.0571","","","","","","1.04","","","","has coordinates","170364","2020-10-21","18:00:00",""
"7223272","11.1515","0.0011","11.6097","0.0015","13.6162","0.0014","90","","103.077","0.012","90","","1717.1","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 I N2 O2 Pt -","- C15 H21 I N2 O2 Pt -","- C60 H84 I4 N8 O8 Pt4 -","4","1","","Ghosh, Biswa Nath; Schlecht, Sabine","Exchange of pyridine and bipyridine ligands in trimethylplatinum(IV) iodide complexes: Substituent and solvent effects","RSC Adv.","2015","","","","","10.1039/C5RA16541E","","","0.71073","MoKα","","0.0381","0.0321","","","0.0703","0.0723","","","","","","0.998","","","","has coordinates","170364","2020-10-21","18:00:00",""
"7223273","13.7054","0.0011","17.6237","0.0014","18.1731","0.0016","90","","90","","90","","4389.5","0.6","193","2","193","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C17 H27 I N4 Pt -","- C17 H27 I N4 Pt -","- C136 H216 I8 N32 Pt8 -","8","1","","Ghosh, Biswa Nath; Schlecht, Sabine","Exchange of pyridine and bipyridine ligands in trimethylplatinum(IV) iodide complexes: Substituent and solvent effects","RSC Adv.","2015","","","","","10.1039/C5RA16541E","","","0.71073","MoKα","","0.111","0.0521","","","0.1096","0.1244","","","","","","0.86","","","","has coordinates","170364","2020-10-21","18:00:00",""
"7223274","5.197","0.003","14.855","0.009","22.937","0.014","90","","95.436","0.011","90","","1762.8","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Chen, Zhiyuan; Zeng, Xingping; Yan, bingyu; zhao, yanlu; Fu, Yang","Au-catalyzed Intramolecular Annulations Toward Fused Tricyclic [1,3]oxazino[3,4-a]indol-1-ones under Extremely Mild Conditions","RSC Adv.","2015","","","","","10.1039/C5RA21109C","","","0.71073","MoKα","","0.0751","0.0558","","","0.1203","0.1529","","","","","","1.005","","","","has coordinates","170365","2020-10-21","18:00:00",""
"7223275","15.7968","0.0008","18.0753","0.0008","19.9867","0.0011","90","","90","","90","","5706.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cu3 I4 N8 S2 -","- C16 H28 Cu3 I4 N8 S2 -","- C128 H224 Cu24 I32 N64 S16 -","8","1","","Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso","Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes","RSC Adv.","2015","","","","","10.1039/C5RA20449F","","","0.71073","MoKα","","0.0329","0.0239","","","0.0519","0.0545","","","","","","1.094","","","","has coordinates","170366","2020-10-21","18:00:00",""
"7223276","5.6588","0.0014","13.432","0.003","13.249","0.003","90","","100.013","0.003","90","","991.7","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cu I N2 S -","- C6 H12 Cu I N2 S -","- C24 H48 Cu4 I4 N8 S4 -","4","1","","Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso","Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes","RSC Adv.","2015","","","","","10.1039/C5RA20449F","","","0.71073","MoKα","","0.0313","0.0279","","","0.0716","0.0726","","","","","","1.32","","","","has coordinates","170366","2020-10-21","18:00:00",""
"7223277","7.8636","0.0004","9.7353","0.0005","15.5128","0.0008","76.049","0.002","84.558","0.002","69.582","0.002","1080.06","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu3 I8 N8 S2 -","- C24 H44 Cu3 I8 N8 S2 -","- C24 H44 Cu3 I8 N8 S2 -","1","0.5","","Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso","Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes","RSC Adv.","2015","","","","","10.1039/C5RA20449F","","","0.71073","MoKα","","0.0526","0.0369","","","0.0764","0.0831","","","","","","1.021","","","","has coordinates","170366","2020-10-21","18:00:00",""
"7223278","8.3323","0.0004","11.8411","0.0005","12.396","0.0006","65.562","0.002","81.02","0.002","74.418","0.002","1071.13","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cu I6 N8 S2 -","- C28 H52 Cu I6 N8 S2 -","- C28 H52 Cu I6 N8 S2 -","1","0.5","","Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso","Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes","RSC Adv.","2015","","","","","10.1039/C5RA20449F","","","0.71073","MoKα","","0.0353","0.0255","","","0.0512","0.0556","","","","","","1.075","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223279","9.738","0.002","17.3885","0.0017","26.0788","0.0016","95.407","0.003","98.088","0.002","93.285","0.003","4341.4","1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H138 N8 O13 -","- C84 H138 N8 O13 -","- C168 H276 N16 O26 -","2","1","","Li, Liang; Yao, Yong; Sun, Jing; Yan, Chao Guo","Preparation and Application of Tubular Assemblies Based on Amphiphilic Tetramethoxyresorcinarenes","RSC Adv.","2015","","","","","10.1039/C5RA22289C","","","0.71073","MoKα","","0.1119","0.0598","","","0.157","0.1753","","","","","","1.026","","","","has coordinates","170367","2020-10-21","18:00:00",""
"7223295","9.257","0.0015","9.983","0.0016","10.7891","0.0017","114.336","0.002","90.211","0.002","91.61","0.002","908","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Mo N4 O5 -","- C17 H18 Mo N4 O6 -","- C34 H36 Mo2 N8 O12 -","2","1","","Maiti, Dilip K.; Pramanik, Nabeyndu; Sarkar, Satinath; Roy, Dipanwita; Debnath, Sudipto; Ghosh, Sukla; Khamarui, Saikat","Synthesis and diverse general oxidative cyclization catalysis of high-valent MoVIO2(HL) to ubiquitous heterocycles and their chiral analogues with high selectivity","RSC Adv.","2015","","","","","10.1039/C5RA21825J","","","0.71073","MoKα","","0.035","0.0342","","","0.1006","0.1014","","","","","","1.143","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7223296","24.0596","0.0008","24.0596","0.0008","13.2216","0.0007","90","","90","","120","","6628.1","0.5","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","[Cd(C6N2H5O2)2]3n(H2O)4n","[Cd(C6N2H5O2)2]3n(H2O)4n","","- C36 H38 Cd3 N12 O16 -","- C36 H30 Cd3 N12 O16 -","- C216 H180 Cd18 N72 O96 -","6","0.333333","","Zhou, Wei-Wei; Wei, Bo; Wang, Feng-Wu; Fang, Wen-Yan; Liu, Dao-Fu; Wei, Yi-Jun; Xu, Mai; Zhao, Xing; Zhao, Wang","An Acentric 3-D Metal-Organic Framework with Threefold Interpenetrated Diamondoid Network: Second-Harmonic-Generation Response, Potential Ferroelectric Property and Photoluminescence","RSC Adv.","2015","","","","","10.1039/C5RA20719C","","","0.71073","MoKα","","0.0227","0.0219","","","0.0466","0.0469","","","","","","1.058","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223297","12.7159","0.0009","15.199","0.001","12.9016","0.0009","90","","96.743","0.004","90","","2476.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O5 V -","- C30 H22 O5 V -","- C120 H88 O20 V4 -","4","1","","Mohamadi, Maryam; Ebrahimipour, S. Yousef; Torkzadeh, Masoud; Foro, Sabine; akbari, Alireza","A mononuclear diketone-based oxido-vanadium(IV) complex: structure, DNA and BSA binding, molecular docking and anticancer activities against MCF -7, HPG-2, and HT- 29 cell lines","RSC Adv.","2015","","","","","10.1039/C5RA13715B","","","0.71073","MoKα","","0.1894","0.0857","","","0.1951","0.2386","","","","","","1.049","","","","has coordinates","170393","2020-10-21","18:00:00",""
"7223298","7.76","0.0003","9.9273","0.0004","14.1328","0.0006","90.03","0.002","100.548","0.002","99.031","0.002","1056.59","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mo N3 O6 -","- C22 H21 Mo N3 O6 -","- C44 H42 Mo2 N6 O12 -","2","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Effect of N-based additive on the optimization of liquid phase oxidation of bicyclic, cyclic and aromatic alcohols catalyzed by dioxidomolybdenum(VI) and oxidoperoxidomolybdenum(VI) complexes","RSC Adv.","2015","","","","","10.1039/C5RA16490G","","","0.71073","MoKα","","0.0483","0.0362","","","0.0773","0.0829","","","","","","1.061","","","","has coordinates","170394","2020-10-21","18:00:00",""
"7223299","11.771","0.002","11.984","0.002","12.499","0.002","89.199","0.005","69.782","0.004","61.016","0.004","1421.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Mo N3 O8 S2 -","- C26 H27 Mo N3 O8 S2 -","- C52 H54 Mo2 N6 O16 S4 -","2","1","","Maurya, Mannar R.; Saini, Neeraj; Avecilla, Fernando","Effect of N-based additive on the optimization of liquid phase oxidation of bicyclic, cyclic and aromatic alcohols catalyzed by dioxidomolybdenum(VI) and oxidoperoxidomolybdenum(VI) complexes","RSC Adv.","2015","","","","","10.1039/C5RA16490G","","","0.71073","MoKα","","0.0566","0.0377","","","0.0832","0.0913","","","","","","1.035","","","","has coordinates,has disorder","170394","2020-10-21","18:00:00",""
"7223300","9.1488","0.0012","12.408","0.003","20.32","0.004","90","","93.682","0.015","90","","2301.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 6-(9-methyl-9H-carbazol-3-yl)-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara","Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications","RSC Adv.","2015","","","","","10.1039/C5RA21164F","","","0.71073","MoKα","","0.1681","0.0497","","","0.0919","0.1087","","","","","","0.727","","","","has coordinates,has disorder","170396","2020-10-21","18:00:00",""
"7223301","18.295","0.003","8.6639","0.0008","19.269","0.005","90","","115.79","0.02","90","","2750","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","ethyl 6-(4-(diphenylamino)phenyl)-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C36 H27 N O3 -","- C36 H27 N O3 -","- C144 H108 N4 O12 -","4","1","","Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara","Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications","RSC Adv.","2015","","","","","10.1039/C5RA21164F","","","0.71073","MoKα","","0.3134","0.0804","","","0.0717","0.1226","","","","","","0.904","","","","has coordinates","170396","2020-10-21","18:00:00",""
"7223302","8.994","0.005","12.067","0.005","13.535","0.005","97.328","0.005","89.921","0.005","106.327","0.005","1397.3","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethyl 3-(4'-(diphenylamino)biphenyl-4-yl)-6-methoxy-1-oxo-1H-indene-2-carboxylate","","- C37 H29 N O4 -","- C37 H29 N O4 -","- C74 H58 N2 O8 -","2","1","","Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara","Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications","RSC Adv.","2015","","","","","10.1039/C5RA21164F","","","0.71073","MoKα","","0.2648","0.0814","","","0.1333","0.2064","","","","","","0.955","","","","has coordinates","170396","2020-10-21","18:00:00",""
"7223303","12.352","0.003","9.575","0.0019","13.866","0.003","90","","106.33","0.03","90","","1573.8","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F4 N O2 -","- C18 H13 F4 N O2 -","- C72 H52 F16 N4 O8 -","4","1","","Tian, Lei; Cui, Can; Zhu, Cong; Yang, Hui-Hui; Li, Jian-Qiang; Zhao, Wei-Guang","Novel exocyclic enamides: synthesis and evaluation of the fungicidal activities of 5-methylene-2-(trifluoromethyl)morpholin-3-one derivatives","RSC Adv.","2015","","","","","10.1039/C5RA20138A","","","0.71073","MoKα","","0.0455","0.0361","","","0.0921","0.0968","","","","","","1.037","","","","has coordinates","170397","2020-10-21","18:00:00",""
"7223304","10.474","0.003","11.122","0.002","14.777","0.004","68.911","0.009","89.618","0.01","83.233","0.009","1593.7","0.7","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O4 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","2","","Tian, Lei; Cui, Can; Zhu, Cong; Yang, Hui-Hui; Li, Jian-Qiang; Zhao, Wei-Guang","Novel exocyclic enamides: synthesis and evaluation of the fungicidal activities of 5-methylene-2-(trifluoromethyl)morpholin-3-one derivatives","RSC Adv.","2015","","","","","10.1039/C5RA20138A","","","0.71075","Molybdenum","","0.0622","0.0401","","","0.0837","0.089","","","","","","1.071","","","","has coordinates","170397","2020-10-21","18:00:00",""
"7223310","19.4754","0.0018","7.2595","0.0005","22.789","0.002","90","","90","","90","","3221.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cu N4 O6 -","- C13 H14 Cu N4 O6 -","- C104 H112 Cu8 N32 O48 -","8","1","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.2053","0.1431","","","0.2969","0.3247","","","","","","1.062","","","","has coordinates,has disorder","170415","2020-10-21","18:00:00",""
"7223311","8.0946","0.0006","16.0439","0.0012","14.1781","0.0011","90","","90","","90","","1841.3","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Cu N5 O7 -","- C13 H15 Cu N5 O7 -","- C52 H60 Cu4 N20 O28 -","4","0.5","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.084","0.0573","","","0.1775","0.2148","","","","","","1.118","","","","has coordinates","170415","2020-10-21","18:00:00",""
"7223312","8.3639","0.0005","9.9381","0.0005","11.0317","0.0006","75.219","0.003","76.986","0.003","86.001","0.002","863.78","0.08","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N5 O7 -","- C13 H15 Cu N5 O7 -","- C26 H30 Cu2 N10 O14 -","2","1","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.0678","0.0429","","","0.1111","0.126","","","","","","1.039","","","","has coordinates,has disorder","170415","2020-10-21","18:00:00",""
"7223313","8.889","0.0002","11.9445","0.0003","15.1962","0.0004","90","","99.838","0.002","90","","1589.73","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu N3 O5 -","- C15 H15 Cu N3 O5 -","- C60 H60 Cu4 N12 O20 -","4","1","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.0303","0.0265","","","0.0715","0.0744","","","","","","1.058","","","","has coordinates","170415","2020-10-21","18:00:00",""
"7223314","14.9278","0.0004","10.2675","0.0002","17.3725","0.0005","90","","99.442","0.003","90","","2626.63","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl3 N7 Re -","- C26 H19 Cl3 N7 Re -","- C104 H76 Cl12 N28 Re4 -","4","1","","Palion, Joanna; Gryca, I.; Machura, Barbara; Lloret, Francesc; Julve, Miguel","Synthesis, crystal structure and magnetic properties of the complex [ReCl3(tppz)] . MeCN","RSC Adv.","2015","","","","","10.1039/C5RA21466A","","","0.71073","MoKα","","0.0272","0.0206","","","0.0435","0.0453","","","","","","1.047","","","","has coordinates","170416","2020-10-21","18:00:00",""
"7223315","14.6884","0.0003","20.5485","0.0005","32.5555","0.0008","90","","90","","90","","9826.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 N12 O10 S2 Zn2 -","- C46 H49 N12 O10 S2 Zn2 -","- C368 H392 N96 O80 S16 Zn16 -","8","1","","Fernandes, Christiane; Batista, Luana Carvalho; de Souza, Fernanda S.; de Assis, Vagner Machado; Seabra, Sergio Henrique; Bortoluzzi, Adailton J.; Horn, Adolfo; DaMatta, Renato Augusto","Antiproliferative activity and conversion of tachyzoite to bradyzoite of Toxoplasma gondii promoted by new zinc complexes containing sulfadiazine","RSC Adv.","2015","","","","","10.1039/C5RA17690E","","","0.71073","MoKα","","0.0628","0.048","","","0.1139","0.1218","","","","","","1.148","","","","has coordinates,has disorder","170417","2020-10-21","18:00:00",""
"7223316","7.831","0.006","10.956","0.008","14.357","0.011","75.594","0.018","89.6","0.03","72.16","0.02","1132.5","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N6 S2 -","- C22 H28 N6 S2 -","- C44 H56 N12 S4 -","2","1","","Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan","Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications","RSC Adv.","2015","","","","","10.1039/C5RA18568H","","","1.54178","CuKα","","0.0364","0.036","","","0.1007","0.1011","","","","","","1.132","","","","has coordinates","170418","2020-10-21","18:00:00",""
"7223317","13.2007","0.0007","17.5298","0.0009","20.1722","0.0011","90","","90","","90","","4668","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 Ni S2 -","- C22 H26 N6 Ni S2 -","- C176 H208 N48 Ni8 S16 -","8","1","","Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan","Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications","RSC Adv.","2015","","","","","10.1039/C5RA18568H","","x-ray","0.71073","MoKα","","0.0607","0.044","","","0.1096","0.118","","","","","","1.059","","","","has coordinates","170418","2020-10-21","18:00:00",""
"7223318","13.3637","0.0004","17.6802","0.0007","19.9696","0.0006","90","","90","","90","","4718.3","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cu N6 S2 -","- C22 H26 Cu N6 S2 -","- C176 H208 Cu8 N48 S16 -","8","1","","Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan","Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications","RSC Adv.","2015","","","","","10.1039/C5RA18568H","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.091","0.0968","","","","","","1.049","","","","has coordinates","170418","2020-10-21","18:00:00",""
"7223320","8.8574","0.001","9.12","0.0014","12.0577","0.0016","90","","111.478","0.01","90","","906.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N6 -","- C22 H20 N6 -","- C44 H40 N12 -","2","0.5","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.0964","0.0628","","","0.1457","0.1659","","","","","","0.963","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223321","10.188","0.009","31.26","0.03","17.715","0.016","90","","105.279","0.015","90","","5442","9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl13 Ir N8 -","- C48 H40 Cl13 Ir N8 -","- C192 H160 Cl52 Ir4 N32 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.1167","0.0678","","","0.1646","0.1988","","","","","","1.029","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223322","18.773","0.006","13.362","0.004","20.727","0.006","90","","99.386","0.006","90","","5130","3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H42 Cl2 F6 Ir N4 O2 P -","- C51 H42 Cl2 F6 Ir N4 O2 P -","- C204 H168 Cl8 F24 Ir4 N16 O8 P4 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","MoKα","","0.1464","0.0679","","","0.1428","0.1665","","","","","","0.914","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223323","12.3668","0.001","7.3332","0.0007","12.7466","0.0012","90","","113.958","0.011","90","","1056.37","0.19","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","0.5","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","x-ray","0.71073","MoKα","","0.068","0.0539","","","0.1484","0.162","","","","","","1.104","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223324","15.991","0.012","13.426","0.01","22.927","0.017","90","","99.761","0.012","90","","4851","6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 F6 Ir N4 O2 P -","- C50 H40 F6 Ir N4 O2 P -","- C200 H160 F24 Ir4 N16 O8 P4 -","4","1","","Sinha, Soumalya; Mandal, Soumik; Gupta, Parna","Cyclometalated iridium(iii) complexes of (aryl)ethenyl functionalized 2,2′-bipyridine: synthesis, photophysical properties and trans‒cis isomerization behavior","RSC Adv.","2015","5","120","99529","","10.1039/C5RA16214A","","","0.71073","","","0.112489","0.070144","","","","0.189751","","","","","","0.971271","","","","has coordinates","170445","2020-10-21","18:00:00",""
"7223325","9.1713","0.0012","10.4692","0.0014","11.6564","0.0016","87.145","0.004","75.225","0.004","84.729","0.004","1077.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-benzyl-3-(furan-2-yl)-3-(1H-indol-3-yl)indolin-2-one","","- C27 H19 N2 O2 -","- C27 H19 N2 O2 -","- C54 H38 N4 O4 -","2","1","","wang, xiaoxiao; Liu, Jian; Xu, Lubin; Hao, Zhihui; Wang, Liang; Xiao, Jian","Fridel-Crafts Alkylation of Arenes with Indolyl Alcohols for Construction of 3,3-Disubstituted Oxindoles","RSC Adv.","2015","","","","","10.1039/C5RA21919A","","","0.71073","MoKα","","0.0781","0.0561","","","0.1473","0.1646","","","","","","1.016","","","","has coordinates","170446","2020-10-21","18:00:00",""
"7223340","8.211","0.0002","8.9277","0.0002","9.0926","0.0002","89.377","0.001","82.579","0.001","80.859","0.001","652.53","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C32 H18 N2 O4 S2 -","2","1","","Khan, Abu Taleb; Belal, Md","Oxidative cross coupling reaction mediated by I2/H2O2: A novel approach for construction of fused thiazole containing coumarin derivatives","RSC Adv.","2015","","","","","10.1039/C5RA20405D","","","0.71073","MoKα","","0.0361","0.033","","","0.0887","0.0913","","","","","","1.049","","","","has coordinates","170511","2020-10-21","18:00:00",""
"7223341","14.6159","0.0005","9.9444","0.0003","28.7738","0.0012","90","","90","","90","","4182.2","0.3","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C176 H144 N16 O32 -","8","1","","Mandal, Sandip; Sahana, Animesh; Banerjee, Arnab; Safin, Damir; Babashkina, Maria G.; Robeyns, Koen; Verkaart, Sjoerd; Hoenderop, Joost; Mitoraj, Mariusz Paweł; Garcia, Yann; Das, Debasis","A smart rhodamine-pyridine conjugate for bioimaging of thiocyanate in living cells cells","RSC Adv.","2015","","","","","10.1039/C5RA21838A","","","0.71073","MoKα","","0.0823","0.0505","","","0.1158","0.1327","","","","","","1.025","","","","has coordinates","170512","2020-10-21","18:00:00",""
"7223342","27.1164","0.0012","14.8221","0.0007","20.8971","0.001","90","","90","","90","","8399","0.7","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C52 H41 N3 S2 -","- C52 H41 N3 S2 -","- C416 H328 N24 S16 -","8","1","","Sharma, Ritambhara; Lee, Way-Zen; Ravikanth, Magalampalli","Formation of Unusual Dithiaphlorins from Condensation of 2,5-Bis(arylhydroxymethyl)thiophene and Pyrrole","RSC Adv.","2015","","","","","10.1039/C5RA21947G","","","0.71073","MoKα","","0.1171","0.0826","","","0.2335","0.2527","","","","","","1.102","","","","has coordinates,has disorder","170513","2020-10-21","18:00:00",""
"7223343","14.6793","0.0006","14.6793","0.0006","9.5183","0.0005","90","","90","","120","","1776.24","0.14","293","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C12 H15 Cd3 Cl N6 O10 -","- C12 H12 Cd3 Cl N6 O10.02 -","- C36 H36 Cd9 Cl3 N18 O30.06 -","3","0.166667","","Wang, Jia; Yao, Shuo; Li, Guanghua; Huo, Qisheng; Zhang, Lirong; Liu, Yunling","A Novel Trinuclear Cd(II) Cluster-based Metal‒Organic Framework: Synthesis, Structure and Luminescence Property","RSC Adv.","2015","","","","","10.1039/C5RA22184F","","","0.71073","MoKα","","0.0279","0.0279","","","0.0767","0.0767","","","","","","1.202","","","","has coordinates","170514","2020-10-21","18:00:00",""
"7223363","13.5191","0.001","5.4599","0.0004","18.3237","0.0014","90","","108.169","0.004","90","","1285.09","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 Ni O4 S2 -","- C26 H22 N4 Ni O4 S2 -","- C52 H44 N8 Ni2 O8 S4 -","2","0.5","","Raj Kumar, Ramasamy; Ramesh, Rengan","Synthesis, molecular structure and electrochemical properties of nickel(ii) benzhydrazone complexes: influence of ligand substitution on DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2015","5","123","101932","","10.1039/C5RA19530F","","","0.71073","MoKα","","0.1151","0.0545","","","0.1159","0.1512","","","","","","1.041","","","","has coordinates","170586","2020-10-21","18:00:00",""
"7223364","9.9209","0.0009","14.2128","0.0013","18.9285","0.0017","109.323","0.002","101.238","0.001","94.019","0.001","2444.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 N O2 Se Sn -","- C28 H20 N O2 Se Sn -","- C112 H80 N4 O8 Se4 Sn4 -","4","2","","Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong","Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA18445B","","","0.71073","MoKα","","0.0588","0.0355","","","0.0758","0.0834","","","","","","0.943","","","","has coordinates","170587","2020-10-21","18:00:00",""
"7223365","12.818","0.0012","14.5201","0.0014","23.081","0.002","95.077","0.001","92.283","0.001","112.183","0.002","3949.7","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H192 N8 O20 Se6 Sn8 -","- C144 H192 N8 O20 Se6 Sn8 -","- C144 H192 N8 O20 Se6 Sn8 -","1","0.5","","Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong","Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA18445B","","","0.71073","MoKα","","0.2688","0.1361","","","0.3662","0.4255","","","","","","1.042","","","","has coordinates","170587","2020-10-21","18:00:00",""
"7223366","21.0757","0.0013","16.4218","0.0011","36.968","0.003","90","","97.594","0.008","90","","12682.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 N5 O12 Se5 Sn4 -","- C111 N5 O12 Se5 Sn4 -","- C444 N20 O48 Se20 Sn16 -","4","1","","Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong","Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA18445B","","","0.71073","MoKα","","0.2842","0.1157","","","0.2679","0.4108","","","","","","0.953","","","","has coordinates","170587","2020-10-21","18:00:00",""
"7223367","11.656","0.007","22.167","0.013","25.229","0.015","90","","101.513","0.008","90","","6387","7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H84 Cl2 N2 O6 Se2 Sn4 -","- C52 H84 Cl2 N2 O6 Se2 Sn4 -","- C208 H336 Cl8 N8 O24 Se8 Sn16 -","4","1","","Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong","Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA18445B","","","0.71073","MoKα","","0.2686","0.1266","","","0.2243","0.2955","","","","","","1.097","","","","has coordinates","170587","2020-10-21","18:00:00",""
"7223368","10.9295","0.0005","14.0488","0.0006","14.6562","0.0007","107.595","0.001","92.348","0.001","112.045","0.002","1957.69","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.8 H65.4 Cl4 N4 O12 Se4 Sn8 -","- C53.8016 H65.4048 Cl4 N4 O12 Se4 Sn8 -","- C53.8016 H65.4048 Cl4 N4 O12 Se4 Sn8 -","1","0.5","","Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong","Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates","RSC Adv.","2015","","","","","10.1039/C5RA18445B","","","0.71073","MoKα","","0.0648","0.0451","","","0.1119","0.124","","","","","","1.124","","","","has coordinates,has disorder","170587","2020-10-21","18:00:00",""
"7223376","14.0796","0.0013","10.6907","0.001","16.9593","0.0016","90","","109.751","0.002","90","","2402.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-pyridyl)guanidinium chloride","","- C11 H12 Cl N5 -","- C11 H12 Cl N5 -","- C88 H96 Cl8 N40 -","8","2","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.1","0.0502","","","0.1082","0.1315","","","","","","0.975","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223377","11.5823","0.0017","13.2072","0.0017","8.6438","0.0012","90","","110.838","0.004","90","","1235.8","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-bis(2-pyridyl)guanidinium nitrate","","- C11 H12 N6 O3 -","- C11 H12 N6 O3 -","- C44 H48 N24 O12 -","4","1","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.0389","0.0369","","","0.0936","0.0954","","","","","","1.039","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223378","17.585","0.004","16.445","0.004","11.369","0.003","90","","108.61","0.005","90","","3115.8","1.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis(2-pyridyl)guanidinium hemisulfate","","- C24 H24 N10 O10 S -","- C24 H24 N10 O10 S -","- C96 H96 N40 O40 S4 -","4","0.5","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.1145","0.0959","","","0.2831","0.3015","","","","","","1.086","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223379","16.941","0.004","8.827","0.002","20.578","0.005","90","","90","","90","","3077.2","1.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N,N'-bis(2-pyridyl)guanidinium hemisulfate","","- C11 H19 N5 O5.5 S0.5 -","- C11 H19 N5 O5.5 S0.5 -","- C88 H152 N40 O44 S4 -","8","1","","Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.","A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds","RSC Adv.","2015","","","","","10.1039/C5RA21864K","","","0.71073","MoKα","","0.1374","0.0672","","","0.1558","0.184","","","","","","0.966","","","","has coordinates","170627","2020-10-21","18:00:00",""
"7223380","14.4049","0.0004","6.4008","0.00018","14.952","0.0005","90","","106.995","0.003","90","","1318.41","0.07","130","0.1","130","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C9 H13 B F4 N2 O2 Pd -","- C9 H7 B F4 N2 O2 Pd -","- C36 H28 B4 F16 N8 O8 Pd4 -","4","0.5","","Suslov, Dmitry; Bykov, Mikhail; Abramov, Pavel A.; Pahomova, Marina; Ushakov, Igor; Voronov, Vladimir; Tkach, Vitaly","Pd(acac)(MeCN)2]BF4: air-tolerant, activator-free catalyst for alkenes dimerization and polymerization","RSC Adv.","2015","","","","","10.1039/C5RA24591E","","x-ray","0.71073","MoKα","","0.0429","0.0382","","","0.0962","0.0991","","","","","","1.068","","","","has coordinates","170628","2020-10-21","18:00:00",""
"7223381","12.0851","0.0002","13.2867","0.0003","23.8841","0.0004","77.826","0.001","79.391","0.001","70.957","0.001","3516","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cu4 N4 O37 Zr6 -","- C44 H86 Cu4 N4 O37 Zr6 -","- C88 H172 Cu8 N8 O74 Zr12 -","2","1","","Mazhar, Muhammad; Ehsan, Muhammad Ali; Abbas, Hakeem; Khaledi, Hamid; Shahid, Muhammad Mehmood; Pandikumar, Alagarsamy; Huang, Nay Ming","Fabrication of CuO-1.5ZrO2 composite thin film, from heteronuclear molecular complex and its electrocatalytic activity towards methanol oxidation","RSC Adv.","2015","","","","","10.1039/C5RA18053H","","","0.71073","MoKα","","0.0613","0.039","","","0.082","0.0913","","","","","","1.032","","","","has coordinates,has disorder","170629","2020-10-21","18:00:00",""
"7223382","9.0067","0.0018","14.524","0.003","23.39","0.006","90","","111.54","0.03","90","","2846","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Dy2 N3 O21 -","- C21 H21 Dy2 N3 O21 -","- C84 H84 Dy8 N12 O84 -","4","1","","Liu, Cai-Ming; Xiong, Jin; Zhang, Deqing; Wang, Bing-Wu; Zhu, Daoben","Multiple thermal magnetic relaxation in a two-dimensional ferromagnetic dysprosium(III) metal-organic framework","RSC Adv.","2015","","","","","10.1039/C5RA23638J","","","0.71073","MoKα","","0.0284","0.0271","","","0.0566","0.0572","","","","","","1.176","","","","has coordinates","170630","2020-10-21","18:00:00",""
"7223383","10.7274","0.0004","10.1113","0.0007","20.9352","0.0011","90","","99.118","0.004","90","","2242.1","0.2","109.7","","109.7","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C100 H108 N4 O20 -","4","2","","Guo, Hongchao; Gao, Zhenzhen; Wang, Chang; Yuan, Chunhao; Zhou, Leijie; Sun, Zhanhu; Xiao, Yumei","Phosphine-Catalyzed Asymmetric [3 + 2] Annulation of Chalcones with Allenoates for Enantioselective Synthesis of Functionalized Cyclopentenes","RSC Adv.","2015","","","","","10.1039/C5RA20603K","","","1.5418","CuKα","","0.0415","0.0391","","","0.1006","0.1032","","","","","","1.04","","","","has coordinates","170649","2020-10-21","18:00:00",""
"7223384","29.917","0.002","27.6712","0.0018","20.667","0.0013","90","","122.318","0.001","90","","14458.7","1.6","296","2","296.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C6 H74 As2 K4 N2 Ni2 O134 P6 W28 -","- C6 H12 As2 K4 N2 Ni2 O134 P6 W28 -","- C24 H48 As8 K16 N8 Ni8 O536 P24 W112 -","4","0.5","","Huo, Yu; Li, Dandan; Wan, Rong; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Synthesis and Characterization of Organotriphosphonate-Functionalized TM-Containing Polyoxotungstates","RSC Adv.","2015","","","","","10.1039/C5RA20806H","","","0.71073","MoKα","","0.0669","0.0438","","","0.1094","0.1182","","","","","","0.997","","","","has coordinates,has disorder","170650","2020-10-21","18:00:00",""
"7223385","29.8801","0.0012","27.6391","0.0011","20.6261","0.0008","90","","122.184","0.001","90","","14416.8","1","296","2","296.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C6 H74 As2 Co2 K4 N2 O134 P6 W28 -","- C6 H12 As2 Co2 K4 N2 O134 P6 W28 -","- C24 H48 As8 Co8 K16 N8 O536 P24 W112 -","4","0.5","","Huo, Yu; Li, Dandan; Wan, Rong; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Synthesis and Characterization of Organotriphosphonate-Functionalized TM-Containing Polyoxotungstates","RSC Adv.","2015","","","","","10.1039/C5RA20806H","","","0.71073","MoKα","","0.0594","0.0381","","","0.0969","0.1038","","","","","","1.022","","","","has coordinates,has disorder","170650","2020-10-21","18:00:00",""
"7223386","29.848","0.004","27.794","0.004","20.7","0.003","90","","121.555","0.002","90","","14633","4","296","2","296.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C6 H74 As2 K4 Mn2 N2 O134 P6 W28 -","- C6 H8 As2 K4 Mn2 N2 O134 P6 W28 -","- C24 H32 As8 K16 Mn8 N8 O536 P24 W112 -","4","0.5","","Huo, Yu; Li, Dandan; Wan, Rong; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Synthesis and Characterization of Organotriphosphonate-Functionalized TM-Containing Polyoxotungstates","RSC Adv.","2015","","","","","10.1039/C5RA20806H","","","0.71073","MoKα","","0.1457","0.0691","","","0.1578","0.1847","","","","","","0.956","","","","has coordinates,has disorder","170650","2020-10-21","18:00:00",""
"7223387","15.1547","0.0003","8.3437","0.0002","10.963","0.0002","90","","101.307","0.002","90","","1359.32","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methoxysalicylaldehyde 4-hydroxybenzhydrazone","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.0514","0.0402","","","0.1044","0.1122","","","","","","1.032","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223388","9.1617","0.0005","6.1414","0.0004","23.4795","0.0012","90","","94.806","0.005","90","","1316.44","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-methoxysalicylaldehyde benzhydrazone","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.0862","0.0458","","","0.094","0.1078","","","","","","1.015","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223389","11.4472","0.0006","12.6502","0.0009","9.4907","0.0005","90","","97.657","0.005","90","","1362.09","0.14","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-methoxysalicylaldehyde benzhydrazone","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.119","0.0644","","","0.1456","0.1735","","","","","","1","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223390","11.5874","0.0006","18.953","0.0009","23.142","0.0014","90","","90","","90","","5082.4","0.5","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","(2-oxybenzaldehyde 4-hydroxybenzoylhydrazonato-O,N,O) (2-oxybenzaldehyde 4-hydroxybenzoylhydrazidato-O,N,O)cobalt(III)","","- C28 H21 Co N4 O6 -","- C28 H21 Co N4 O6 -","- C224 H168 Co8 N32 O48 -","8","0.5","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","1.54184","CuKα","","0.0736","0.0512","","","0.1151","0.1305","","","","","","1.019","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223391","10.2428","0.0004","12.2495","0.0004","13.1323","0.0006","102.594","0.003","107.08","0.004","97.463","0.003","1503.55","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2-oxy-3-methoxybenzaldehyde 4-hydroxybenzoylhydrazonato-O,N,O) (2-oxy-3-methoxybenzaldehyde 4-hydroxybenzoylhydrazidato-O,N,O) cobalt(III)","","- C30 H25 Co N4 O8 -","- C30 H25 Co N4 O8 -","- C60 H50 Co2 N8 O16 -","2","1","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","1.54184","CuKα","","0.063","0.0532","","","0.1488","0.1571","","","","","","1.065","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223392","10.1424","0.0006","12.235","0.001","13.1652","0.0008","102.995","0.006","107.619","0.005","96.756","0.006","1486.54","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(2-oxy-3-methoxybenzaldehyde 4-hydroxybenzoylhydrazonato-O,N,O) (2-oxy-3-methoxybenzaldehyde 4-hydroxybenzoylhydrazidato-O,N,O) cobalt(III) methanol solvate (1/0.7)","","- C30.72 H25 Co N4 O8.72 -","- C30.72 H25 Co N4 O8.72 -","- C61.44 H50 Co2 N8 O17.44 -","2","1","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.1575","0.091","","","0.1538","0.1794","","","","","","1.074","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223393","21.903","0.004","10.291","0.0008","12.5225","0.0008","90","","98.436","0.01","90","","2792.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2-oxy-4-methoxybenzaldehyde benzoylhydrazonato-O,N,O) (2-oxy-4-methoxybenzaldehyde benzoylhydrazidato-O,N,O) cobalt(III) methanol solvate (1/1)","","- C31 H25 Co N4 O7 -","- C31 H25 Co N4 O7 -","- C124 H100 Co4 N16 O28 -","4","0.5","","Vrdoljak, Visnja; Pavlović, Gordana; Hrenar, Tomica; Rubčić, Mirta; Siega, Patrizia; Dreos, Renata; Cindric, Marina","Cobalt(III) complexes with tridentate hydrazone ligands: protonation state and hydrogen bonds competition","RSC Adv.","2015","","","","","10.1039/C5RA22068H","","","0.71073","MoKα","","0.0635","0.0502","","","0.1184","0.1248","","","","","","1.081","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223394","14.695","0.0004","7.1251","0.0002","19.3703","0.0004","90","","108.558","0.003","90","","1922.68","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N Nd O11 -","- C18 H16 N Nd O11 -","- C72 H64 N4 Nd4 O44 -","4","1","","Qian, Wei; Wang, Jiaqi; Liu, Shudong; Guo, Shaohui; Lu, Yongjun; Lin, Hui; Zheng, De","A Nd-containing coordination ploymer: syntheses, crystal structure and application as a nucleating agent for isotactic polypropylene","RSC Adv.","2015","5","125","103123","","10.1039/C5RA20348A","","","0.71073","MoKα","","0.0275","0.0225","","","0.0489","0.0507","","","","","","1.047","","","","has coordinates","170652","2020-10-21","18:00:00",""
"7223395","10.042","0.002","17.602","0.004","18.655","0.004","90","","90","","90","","3297.4","1.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C168 H132 N20 O8 -","4","1","","Zhao, Hong-Wu; Chen, Xiao-Qin; Yang, Zhao; Tian, Ting; Li, Bo; Meng, Wei; Song, Xiu-Qing; Pang, Hai-Liang","Highly diastereoselective synthesis of imidazolidine-dispirooxindoles via three-component [3 + 2] cycloadditions of isatins, 2-(aminomethyl)pyridine and isatin-based imines","RSC Adv.","2015","5","125","103116","","10.1039/C5RA21995G","","","0.71073","MoKα","","0.0508","0.0458","","","0.1059","0.1092","","","","","","1.093","","","","has coordinates","170653","2020-10-21","18:00:00",""
"7223401","31.5874","0.0013","31.5874","0.0013","9.9815","0.0003","90","","90","","120","","8624.9","0.6","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H64 O7 -","- C73 H63.9996 O7 -","- C438 H383.998 O42 -","6","0.333333","","Gedu, Satyanarayana; Pedireddi, Niharika","One-Pot C-C/C-O Bonds Formation: Synthesis of Spirocyclic Lactones","RSC Adv.","2015","","","","","10.1039/C5RA22684H","","","1.54184","CuKα","","0.0876","0.0679","","","0.2036","0.2309","","","","","","1.04","","","","has coordinates,has disorder","170674","2020-10-21","18:00:00",""
"7223402","7.9447","0.001","19.588","0.002","12.7483","0.0014","90","","97.927","0.005","90","","1964.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Muthukrishnan, M.; Mujahid, Mohammad; Yogeeswari, Perumal; Dharmarajan, Sriram; Basavanag, Murali; Díaz-Cervantes, Erik; Bahena, Luis; Robles, Juvencio; Gonnade, Rajesh G.; M, Karthikeyan; Vyas, Renu","Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies","RSC Adv.","2015","","","","","10.1039/C5RA21737G","","","0.71073","MoKα","","0.068","0.0443","","","0.1077","0.1211","","","","","","1.041","","","","has coordinates","170675","2020-10-21","18:00:00",""
"7223411","10.085","0.005","11.118","0.005","18.036","0.005","98.989","0.005","93.383","0.005","96.356","0.005","1979.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N7 O9 Pr -","- C32 H32 N7 O9 Pr -","- C64 H64 N14 O18 Pr2 -","2","1","","Singh, Khushbu; Banerjee, Samya; Patra, Ashis Kumar","Photocytotoxic luminescent lanthanide complexes of DTPA‒bisamide using quinoline as photosensitizer","RSC Adv.","2015","","","","","10.1039/C5RA24329G","","","0.71069","MoKα","","0.1469","0.1091","","","0.2624","0.2886","","","","","","1.043","","","","has coordinates","170720","2020-10-21","18:00:00",""
"7223412","11.132","0.002","23.789","0.005","17.045","0.003","90","","108.57","0.03","90","","4278.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 Eu N8 O13 -","- C35 H39 Eu N8 O13 -","- C140 H156 Eu4 N32 O52 -","4","1","","Singh, Khushbu; Banerjee, Samya; Patra, Ashis Kumar","Photocytotoxic luminescent lanthanide complexes of DTPA‒bisamide using quinoline as photosensitizer","RSC Adv.","2015","","","","","10.1039/C5RA24329G","","","0.71073","MoKα","","0.0734","0.0548","","","0.1746","0.1961","","","","","","1.042","","","","has coordinates","170720","2020-10-21","18:00:00",""
"7223413","11.343","0.005","23.53","0.005","16.714","0.005","90","0.005","109.356","0.005","90","0.005","4209","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N9 O13 Pr -","- C38 H39 N9 O14 Pr -","- C152 H156 N36 O56 Pr4 -","4","1","","Singh, Khushbu; Banerjee, Samya; Patra, Ashis Kumar","Photocytotoxic luminescent lanthanide complexes of DTPA‒bisamide using quinoline as photosensitizer","RSC Adv.","2015","","","","","10.1039/C5RA24329G","","","0.71069","MoKα","","0.0864","0.0497","","","0.1219","0.1381","","","","","","1.017","","","","has coordinates","170720","2020-10-21","18:00:00",""
"7223414","10.9299","0.0004","23.1611","0.001","17.1891","0.0008","90","","108.132","0.001","90","","4135.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N9 O13 Tb -","- C38 H39 N9 O13 Tb -","- C152 H156 N36 O52 Tb4 -","4","1","","Singh, Khushbu; Banerjee, Samya; Patra, Ashis Kumar","Photocytotoxic luminescent lanthanide complexes of DTPA‒bisamide using quinoline as photosensitizer","RSC Adv.","2015","","","","","10.1039/C5RA24329G","","","0.71073","MoKα","","0.0706","0.0454","","","0.1105","0.1231","","","","","","1.048","","","","has coordinates","170720","2020-10-21","18:00:00",""
"7223415","15.8693","0.0008","9.9218","0.0005","20.1836","0.001","90","","102.424","0.001","90","","3103.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N O0.5 -","- C21 H16 N O0.5 -","- C168 H128 N8 O4 -","8","1","","Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong","Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes","RSC Adv.","2015","","","","","10.1039/C5RA23065A","","","0.71073","MoKα","","0.0656","0.0402","","","0.0845","0.0947","","","","","","1.009","","","","has coordinates","170721","2020-10-21","18:00:00",""
"7223416","8.6366","0.0011","9.9502","0.0013","11.2433","0.0015","101.66","0.002","94.005","0.002","111.536","0.002","869.1","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 N -","- C25 H17 N -","- C50 H34 N2 -","2","1","","Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong","Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes","RSC Adv.","2015","","","","","10.1039/C5RA23065A","","","0.71073","MoKα","","0.0533","0.042","","","0.1135","0.1314","","","","","","1.08","","","","has coordinates","170721","2020-10-21","18:00:00",""
"7223417","7.8347","0.0005","8.6813","0.0005","9.1755","0.0008","82.727","0.003","73.371","0.003","78.005","0.002","583.42","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H13 N -","- C16 H13 N -","- C32 H26 N2 -","2","1","","Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong","Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes","RSC Adv.","2015","","","","","10.1039/C5RA23065A","","","0.71073","MoKα","","0.0949","0.0682","","","0.1961","0.2345","","","","","","1.104","","","","has coordinates","170721","2020-10-21","18:00:00",""
"7223418","8.1521","0.0007","25.648","0.002","18.4479","0.0013","90","","97.064","0.004","90","","3827.9","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N -","- C17 H15 N -","- C204 H180 N12 -","12","3","","Luo, Ching-Zong; Parthasarathy, Gandeepan; Wu, Yun-Ching; Chen, Wei-Chen; Cheng, Chien Hong","Copper Promoted Synthesis of Substituted Quinolines from Benzylic Azides and Alkynes","RSC Adv.","2015","","","","","10.1039/C5RA23065A","","","0.71073","MoKα","","0.0707","0.0423","","","0.0944","0.108","","","","","","1.012","","","","has coordinates","170721","2020-10-21","18:00:00",""
"7223419","13.409","0.002","22.777","0.003","13.401","0.002","90","","99.13","","90","","4041","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(6-hydroxy-2,6-diphenylthiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-1-phenylethanone (20)","","- C24 H17 N3 O2 S -","- C24 H17 N3 O2 S -","- C192 H136 N24 O16 S8 -","8","2","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.1414","0.059","","","0.199","0.2355","","","","","","1.069","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223420","9.337","0.004","9.368","0.004","10.286","0.005","113.699","0.007","97.243","0.008","97.258","0.008","801.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(methylthio)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl(phenyl)methanone (23)","","- C19 H14 N4 O S -","- C19 H14 N4 O S -","- C38 H28 N8 O2 S2 -","2","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0642","0.0548","","","0.1456","0.1741","","","","","","1.136","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223421","6.992","","14.617","","19.051","","90","","95.5","","90","","1938.09","","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene)-1-phenylethanone (24)","","- C24 H16 N4 O S -","- C24 H16 N4 O S -","- C96 H64 N16 O4 S4 -","4","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0642","0.0541","","","0.152","0.1726","","","","","","1.173","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223422","13.1611","0.0014","13.51","0.0015","10.7868","0.001","90","","98.381","0.004","90","","1897.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1, 4-diphenyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)but-2-ene-1,4-dione (26","","- C23 H16 N4 O2 S -","- C23 H16 N4 O2 S -","- C92 H64 N16 O8 S4 -","4","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0607","0.0387","","","0.0774","0.0868","","","","","","1.027","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223423","7.1783","0.001","14.804","0.002","12.0251","0.0019","90","","97.835","0.006","90","","1265.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 7-oxo-2-phenyl-7H-[1,2,4]triazolo[5,1-b][1,3]thiazine-5-carboxylate","","- C13 H9 N3 O3 S -","- C13 H9 N3 O3 S -","- C52 H36 N12 O12 S4 -","4","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0534","0.0464","","","0.1331","0.1456","","","","","","1.129","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223424","5.4918","0.0004","16.008","0.0011","9.4419","0.0007","90","","103.129","0.004","90","","808.37","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","methyl 3-((1H-1,2,4-triazol-3-yl)amino)acrylate (44)","","- C6 H7 N3 O2 S -","- C6 H7 N3 O2 S -","- C24 H28 N12 O8 S4 -","4","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0616","0.0509","","","0.1485","0.1563","","","","","","1.035","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223425","6.9892","0.0006","10.5036","0.001","13.4268","0.0013","90","","104.277","0.004","90","","955.24","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-phenyl-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (49)","","- C11 H7 N3 O S -","- C11 H7 N3 O S -","- C44 H28 N12 O4 S4 -","4","1","","Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.","One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†","RSC Adv.","2015","","","","","10.1039/C5RA21270G","","","0.71073","MoKα","","0.0609","0.0495","","","0.1308","0.1365","","","","","","0.979","","","","has coordinates","170722","2020-10-21","18:00:00",""
"7223427","11.095","0.005","19.886","0.009","13.656","0.006","90","","98.13","0.03","90","","2983","2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl6 N5 Ti2 -","- C23 H29 Cl6 N5 Ti2 -","- C92 H116 Cl24 N20 Ti8 -","4","1","","Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo","Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA20868H","","","0.71073","MoKα","","0.0858","0.0736","","","0.1495","0.1553","","","","","","1.208","","","","has coordinates","170915","2020-10-21","18:00:00",""
"7223428","8.966","0.009","14.723","0.017","16.566","0.017","90","","100.41","0.07","90","","2151","4","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl2 N3 Ti -","- C20 H29 Cl2 N3 Ti -","- C80 H116 Cl8 N12 Ti4 -","4","1","","Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo","Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA20868H","","","0.71073","MoKα","","0.1294","0.1122","","","0.2322","0.2397","","","","","","1.356","","","","has coordinates","170915","2020-10-21","18:00:00",""
"7223429","12.6863","0.0019","14.732","0.002","18.976","0.003","87.593","0.004","76.51","0.003","82.086","0.004","3415.6","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H98 Cl N15 O2 Si3 Zr -","- C53 H98 Cl N15 O2 Si3 Zr -","- C106 H196 Cl2 N30 O4 Si6 Zr2 -","2","1","","Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo","Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA20868H","","","0.71073","MoKα","","0.1","0.0534","","","0.0997","0.1201","","","","","","1.008","","","","has coordinates","170915","2020-10-21","18:00:00",""
"7223430","15.7449","0.0009","10.762","0.0007","18.2213","0.0012","90","","90","","90","","3087.5","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","1","","Kankala, Shravankumar; pagadala, ramakanth; Maddila, Suresh; Vasam, Chandra Sekhar; Jonnalagadda, Sreekantha Babu","Silver(I)-N-heterocyclic carbene catalyzed multicomponent reactions: a facile synthesis of multisubstituted pyridines","RSC Adv.","2015","","","","","10.1039/C5RA16582B","","x-ray","0.71073","MoKα","","0.0701","0.0577","","","0.1617","0.1728","","","","","","1.13","","","","has coordinates","170916","2020-10-21","18:00:00",""
"7223431","21.031","0.003","6.0833","0.0008","21.443","0.003","90","","109.88","0.002","90","","2579.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","β-CN-TPA","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C136 H104 N8 O4 -","4","1","","Ouyang, Mi; Zhan, Lingling; lv, xiao Jing; Cao, Feng; Li, Weijun; Zhang, YuJian; Wang, Kunyan; Zhang, Cheng","Clear Piezochromic Behaviors of AIE-active Organic Powders under Hydrostatic Pressure","RSC Adv.","2015","","","","","10.1039/C5RA21218A","","","0.71073","MoKα","","0.0761","0.0523","","","0.1491","0.1686","","","","","","1.019","","","","has coordinates","171401","2020-10-21","18:00:00",""
"7223432","14.014","0.002","14.014","0.002","6.475","0.001","90","","90","","120","","1101.3","0.3","293","2","293","2","","","","","","","-","5","P 3","P 3","143","","o-vanillylidene-D-Penicillamine","","- C13.33 H17.33 N O4.33 S -","- C13.33 H15 N O4.33 S -","- C39.99 H45 N3 O12.99 S3 -","3","1","","Balakrishnan, C.; M, Theetharappan; Natarajan, Satheesh; S, Thalamuthu; M A, Neelakantan","Fluorescence response of a thiazolidine carboxylic acid derivative for the selective and nanomolar detection of Zn(II) ions: quantum chemical calculations and application in real samples","RSC Adv.","2015","","","","","10.1039/C5RA21277D","","","0.71073","MoKα","","0.0542","0.0458","","","0.1072","0.1132","","","","","","1.046","","","","has coordinates,has disorder","171402","2020-10-21","18:00:00",""
"7223433","10.1528","0.0006","27.9401","0.0016","7.5008","0.0006","90","","115.004","0.002","90","","1928.3","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,3-bis(dimethylthiocarbamoyloxy)benzene","","- C13 H16 Cl4 N2 O2 Pd S2 -","- C13 H16 Cl4 N2 O2 Pd S2 -","- C52 H64 Cl16 N8 O8 Pd4 S8 -","4","1","","Rajiv Gandhi, Muniyappan; Yamada, Manabu; Kondo, Yoshihiko; Shibayama, Atsushi; Hamada, Fumio","Rapid and selective extraction of Pd(II) ions using the SCS type pincer ligand 1,3-bis(dimethylthiocarbamoyloxy)benzene, and its Pd(II) extraction mechanism","RSC Adv.","2015","","","","","10.1039/C5RA23146A","","","0.71075","MoKα","","","0.0592","","","","0.1032","","","","","","1.079","","","","has coordinates","171403","2020-10-21","18:00:00",""
"7223434","10.025","","13.171","","13.409","","66.74","","82.9","","68.04","","1507.99","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(N-(4-chloro-2-(((2-(phenylthio)phenyl)imino)methyl)phenoxide))-(4,4?-dimethyl-2,2?- bipyridine)-coppermonoperchlorate","","- C31 H25 Cl2 Cu N3 O5 S -","- C31 H25 Cl2 Cu N3 O5 S -","- C62 H50 Cl4 Cu2 N6 O10 S2 -","2","1","","Sellamuthu, Kathiresan; Subramanian, Mugesh; Maruthamuthu, Murugan; Ahamed, Feroze; Annaraj, Jamespandi","Mixed-ligand copper(II)-phenolate complexes: structure and studies on DNA/protein binding profile, DNA cleavage, molecular docking and cytotoxicity","RSC Adv.","2015","","","","","10.1039/C5RA20607C","","","0.71073","MoKα","","0.1148","0.0586","","","0.1427","0.1624","","","","","","1.123","","","","has coordinates","171404","2020-10-21","18:00:00",""
"7223435","22.224","0.003","16.806","0.002","15.8146","0.0019","90","","113.877","0.006","90","","5401.2","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-amino-2,5-diisobutoxyamido)-3-isobutoxybenzoic acid","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Rodriguez-Marin, Silvia; Murphy, Natasha S.; Shepherd, Helena J.; Wilson, Andrew J.","Design, synthesis and conformational analyses of bifacial benzamide based foldamers","RSC Adv.","2015","5","126","104187","","10.1039/C5RA20451H","","","0.71073","MoKα","","0.0601","0.0445","","","0.111","0.1195","","","","","","1.062","","","","has coordinates,has disorder","171405","2020-10-21","18:00:00",""
"7223443","13.729","0.003","14.267","0.003","16.791","0.003","79.44","0.03","71.27","0.03","64.18","0.03","2800.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H116 La2 N16 O21 -","- C122 H116 La2 N16 O21 -","- C122 H116 La2 N16 O21 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1198","0.0726","","","0.1265","0.1525","","","","","","1.051","","","","has coordinates,has disorder","171440","2020-10-21","18:00:00",""
"7223444","13.642","0.003","14.294","0.003","16.721","0.003","79.49","0.03","71.27","0.03","64.01","0.03","2772.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 N16 O22 Pr2 -","- C120 H114 N16 O22 Pr2 -","- C120 H114 N16 O22 Pr2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0653","0.0534","","","0.1363","0.1458","","","","","","1.064","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223445","13.549","0.004","14.302","0.004","16.74","0.005","79.802","0.004","71.163","0.004","64.19","0.004","2761.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 Eu2 N16 O22 -","- C120 H114 Eu2 N16 O22 -","- C120 H114 Eu2 N16 O22 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.086","0.0562","","","0.108","0.1232","","","","","","0.997","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223446","13.556","0.003","14.326","0.003","16.725","0.003","79.75","0.03","71.18","0.03","64.16","0.03","2764.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 Gd2 N16 O22 -","- C120 H114 Gd2 N16 O22 -","- C120 H114 Gd2 N16 O22 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1055","0.076","","","0.1748","0.1965","","","","","","1.03","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223447","13.519","0.005","14.322","0.005","16.732","0.006","79.854","0.006","71.098","0.006","64.197","0.006","2757","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H112 N16 O21 Tb2 -","- C120 H112 N16 O21 Tb2 -","- C120 H112 N16 O21 Tb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1103","0.0716","","","0.1644","0.1818","","","","","","1","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223448","13.414","0.003","14.31","0.003","16.704","0.003","80.06","0.03","71.24","0.03","64.17","0.03","2730.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H114 N16 O22 Yb2 -","- C120 H114 N16 O22 Yb2 -","- C120 H114 N16 O22 Yb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0305","0.0264","","","0.0808","0.0893","","","","","","1.07","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223449","11.7356","0.001","13.5161","0.0011","13.8113","0.0011","101.229","0.002","98.59","0.002","100.386","0.002","2074.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 N14 O14 Sm2 -","- C96 H80 N14 O14 Sm2 -","- C96 H80 N14 O14 Sm2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.0625","0.0498","","","0.106","0.1247","","","","","","1.035","","","","has coordinates,has disorder","171440","2020-10-21","18:00:00",""
"7223450","13.811","0.003","18.43","0.004","17.214","0.003","90","","106.47","0.03","90","","4201.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H88 Eu2 N10 O12 -","- C96 H88 Eu2 N10 O12 -","- C192 H176 Eu4 N20 O24 -","2","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.089","0.0485","","","0.0745","0.0833","","","","","","1.013","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223451","13.766","0.003","18.43","0.004","17.19","0.003","90","","106.34","0.03","90","","4185.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H88 N10 O12 Tb2 -","- C96 H88 N10 O12 Tb2 -","- C192 H176 N20 O24 Tb4 -","2","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1035","0.0613","","","0.0912","0.1056","","","","","","1.038","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223452","10.887","0.002","12.286","0.003","16.566","0.003","78.38","0.03","86.6","0.03","71.74","0.03","2061.1","0.8","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H88 N10 O12 Yb2 -","- C96 H88 N10 O12 Yb2 -","- C96 H88 N10 O12 Yb2 -","1","0.5","","Wang, Zhi-Nan; Xu, Xue-Ting; Lv, Xiao; Bai, Feng-Ying; Liu, Shu-Qing; Xing, Yong-Heng","Synthesis, crystal structure, fluorescence and antimicrobial activity of a series of rare-earth complexes based on indolebutyric acid","RSC Adv.","2015","5","126","104263","","10.1039/C5RA19376A","","","0.71073","MoKα","","0.1734","0.1089","","","0.2245","0.2703","","","","","","1.049","","","","has coordinates","171440","2020-10-21","18:00:00",""
"7223453","6.7445","0.0004","36.381","0.0019","13.0378","0.0007","90","","90","","90","","3199.1","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 N6 O13 Tb2 -","- C34 H20 N6 O13 Tb2 -","- C136 H80 N24 O52 Tb8 -","4","0.5","","Wang, Shengyan; xu, jianing; Fan, Yong; Jia, Jia; Gao, Lijuan; Sun, Jing; Shan, Liang; Chen, Xiaodong; Wang, Li; Seo, Hyo Jin","3D lanthanide metal organic frameworks constructed from lanthanide formate skeleton and 3,5-bis(4’-carboxy-phenyl)-1,2,4-triazole connector: synthesis, structure and luminescence","RSC Adv.","2015","","","","","10.1039/C5RA21557A","","","0.71073","MoKα","","0.0601","0.0491","","","0.1293","0.146","","","","","","1.393","","","","has coordinates","171441","2020-10-21","18:00:00",""
"7223454","6.7503","0.0004","36.407","0.003","13.0761","0.0009","90","","90","","90","","3213.6","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Gd2 N6 O13 -","- C34 H20 Gd2 N6 O13 -","- C136 H80 Gd8 N24 O52 -","4","0.5","","Wang, Shengyan; xu, jianing; Fan, Yong; Jia, Jia; Gao, Lijuan; Sun, Jing; Shan, Liang; Chen, Xiaodong; Wang, Li; Seo, Hyo Jin","3D lanthanide metal organic frameworks constructed from lanthanide formate skeleton and 3,5-bis(4’-carboxy-phenyl)-1,2,4-triazole connector: synthesis, structure and luminescence","RSC Adv.","2015","","","","","10.1039/C5RA21557A","","","0.71073","MoKα","","0.0649","0.0456","","","0.0903","0.0959","","","","","","1.101","","","","has coordinates","171441","2020-10-21","18:00:00",""
"7223455","11.1067","0.0005","8.7283","0.0003","11.1168","0.0005","90","","113.959","0.002","90","","984.83","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","XEBOCA","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sousa, Carlos A. D.; Sampaio-Dias, Ivo E.; Rizzo-Aguiar, Fabio; Garcia-Mera, Xerardo; Rodríguez-Borges, José E.","Enantiopure synthesis of 7-(1-pyrindanyl)propargyl ethers as rasagiline analogues via chemical or enzymatic resolution of 1-pyrindan-7-ol","RSC Adv.","2015","5","126","104509","","10.1039/C5RA24868J","","x-ray","0.71073","MoKα","","0.0464","0.0386","","","0.09","0.094","","","","","","1.025","","","","has coordinates","171442","2020-10-21","18:00:00",""
"7223465","7.643","0.003","20.832","0.007","15.36","0.005","90","","99.066","0.004","90","","2415.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H17 Br N2 O3 -","- C31 H17 Br N2 O3 -","- C124 H68 Br4 N8 O12 -","4","1","","Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan","Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support","RSC Adv.","2015","","","","","10.1039/C5RA23599E","","","0.71073","MoKα","","0.0671","0.0397","","","0.097","0.1071","","","","","","1.033","","","","has coordinates","171460","2020-10-21","18:00:00",""
"7223466","14.759","0.003","11.832","0.002","19.609","0.004","90","","128.85","0.003","90","","2666.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 Br2 N2 O4 -","- C31 H18 Br2 N2 O4 -","- C124 H72 Br8 N8 O16 -","4","1","","Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan","Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support","RSC Adv.","2015","","","","","10.1039/C5RA23599E","","","0.71073","MoKα","","0.1667","0.0589","","","0.1212","0.1684","","","","","","0.994","","","","has coordinates","171460","2020-10-21","18:00:00",""
"7223467","32.432","0.002","10.9492","0.0008","15.6699","0.0011","90","","113.385","0.002","90","","5107.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H17 Br2 N2 O3 -","- C31 H16 Br2 N2 O3 -","- C248 H128 Br16 N16 O24 -","8","1","","Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan","Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support","RSC Adv.","2015","","","","","10.1039/C5RA23599E","","","0.71073","MoKα","","0.0582","0.0399","","","0.1022","0.1141","","","","","","1.023","","","","has coordinates","171460","2020-10-21","18:00:00",""
"7223468","5.7083","0.0003","12.891","0.0006","12.364","0.0006","90","","92.415","0.005","90","","909.01","0.08","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br2 N3 O Pd -","- C17 H17 Br2 N3 O Pd -","- C34 H34 Br4 N6 O2 Pd2 -","2","1","","Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi","Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation","RSC Adv.","2015","","","","","10.1039/C5RA21183B","","","1.54184","CuKα","","0.059","0.0562","","","0.1457","0.1518","","","","","","1.041","","","","has coordinates","171461","2020-10-21","18:00:00",""
"7223469","10.6261","0.0003","11.4231","0.0003","14.4936","0.0003","90","","90","","90","","1759.28","0.08","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N4 O Pd -","- C16 H16 Cl2 N4 O Pd -","- C64 H64 Cl8 N16 O4 Pd4 -","4","1","","Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi","Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation","RSC Adv.","2015","","","","","10.1039/C5RA21183B","","","0.71073","MoKα","","0.0313","0.0279","","","0.0584","0.0605","","","","","","1.049","","","","has coordinates","171461","2020-10-21","18:00:00",""
"7223473","11.9475","0.0007","18.9968","0.0013","12.7731","0.0009","90","","92.489","0.002","90","","2896.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Cl2 Eu2 O20 Ti4 -","- C36 H92 Cl2 Eu2 O20 Ti4 -","- C72 H184 Cl4 Eu4 O40 Ti8 -","2","0.5","","Lv, Yaokang; Cai, Zhiwei; Yan, Dongpeng; su, chang; Li, Weijun; Chen, Wei; Ren, Zhuochao; Wei, Yongge; Ouyang, Mi; Zhang, Cheng; Wright, Dominic S.","Novel Eu-containing titania composites derived from a new Eu(III)-doped polyoxotitanate cage","RSC Adv.","2015","","","","","10.1039/C5RA22857C","","","0.71073","MoKα","","0.0257","0.023","","","0.0615","0.0636","","","","","","1.008","","","","has coordinates","171531","2020-10-21","18:00:00",""
"7223474","7.012","0.004","7.844","0.004","12.691","0.008","81.83","0.04","85.86","0.04","82.76","0.03","684.4","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C32 H22 N6 O4 -","2","1","","Zhang, Yun-Hao; Wu, Ming-Yue; Huang, Wen-Cai","Silica gel-promoted practical synthesis of oxindole‒nitrones from diazooxindoles and nitrosoarenes under solvent-free conditions","RSC Adv.","2015","5","128","105825","","10.1039/C5RA21874H","","","1.54187","CuKα","","","0.1344","","","","0.365","","","","","","2.22","","","","has coordinates","171532","2020-10-21","18:00:00",""
"7223475","11.0381","0.0002","11.0381","0.0002","13.102","0.0003","90","","90","","120","","1382.47","0.05","100","0.2","100","0.2","","","","","","","","6","P 63","P 6c","173","Copper NOTI-Me complex tetrafluoroborate","","","- C21 H33 B2 Cu F8 N9 -","- C21 H33 B2 Cu F8 N9 -","- C42 H66 B4 Cu2 F16 N18 -","2","0.333333","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0651","0.0618","","","0.1686","0.1713","","","","","","1.085","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7223476","11.8317","0.0003","13.3857","0.0003","36.8172","0.0009","90","","90","","90","","5830.9","0.2","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Copper NOTI complex perchlorate","","","- C18 H30 Cl3 Cu N9 O13.3 -","- C18 H30 Cl3 Cu N9 O13.304 -","- C144 H240 Cl24 Cu8 N72 O106.432 -","8","1","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0678","0.0516","","","0.1145","0.1211","","","","","","1.139","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7223477","10.7732","0.0002","18.8231","0.0004","19.6569","0.0005","62.691","0.001","75.178","0.001","78.202","0.001","3406.35","0.13","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","Copper NOTI-MeH complex perchlorate/trifluoroacetate","","","- C46 H77 Cl5 Cu2 F6 N18 O28 -","- C46 H77 Cl5 Cu2 F6 N18 O28 -","- C92 H154 Cl10 Cu4 F12 N36 O56 -","2","1","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0688","0.0535","","","0.1472","0.1599","","","","","","1.035","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7223478","17.67","0.0012","15.8947","0.0011","23.4201","0.0012","90","","129.627","0.003","90","","5066.3","0.6","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Copper NOTThia complex perchlorate","","","- C18 H24 Cl2 Cu N6 O8 S3 -","- C18 H24 Cl2 Cu N6 O8 S3 -","- C144 H192 Cl16 Cu8 N48 O64 S24 -","8","2","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0297","0.0242","","","0.0653","0.0696","","","","","","1.025","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7223479","8.3376","0.0003","16.3381","0.0006","17.214","0.0006","90","","95.926","0.002","90","","2332.37","0.15","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper NOTThia complex nitrate","","","- C18 H24 Cu N8 O6 S3 -","- C18 H24 Cu N8 O6 S3 -","- C72 H96 Cu4 N32 O24 S12 -","4","1","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0382","0.0292","","","0.0647","0.0684","","","","","","1.034","","","","has coordinates","171533","2020-10-21","18:00:00",""
"7223480","7.526","0.0007","15.1059","0.0014","24.11","0.002","90","","96.277","0.002","90","","2724.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-hydroxy-5-methoxy-3-(2-oxocyclohexyl)indolin-2-one","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","2","","Meshram, Harshadas Mitaram; A., Sanjeeva Kumar; Ramesh, Palakuri; G., Santosh Kumar; Alladi, Swetha","Ru(III) ‒catalyzed α-cross-coupling aldol type addition reaction of activated olefins with isatins","RSC Adv.","2015","","","","","10.1039/C5RA14714J","","","0.71073","MoKα","","0.0764","0.0704","","","0.1591","0.1629","","","","","","1.23","","","","has coordinates","171534","2020-10-21","18:00:00",""
"7223481","3.8828","0.0003","13.5879","0.0011","14.1314","0.0013","90","","95.032","0.006","90","","742.69","0.11","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 Br2 O2 -","- C20 H8 Br2 O2 -","- C40 H16 Br4 O4 -","2","0.5","","Ozdemir, Mehmet; Choi, Donghee; Kwon, Guhyun; Zorlu, Yunus; Kim, Hyekyoung; Kim, Myung-Gil; Seo, SungYong; Sen, Unal; Citir, Murat; Kim, Choongik; Usta, Hakan","Design, Synthesis, and Characterization of α,ω-Disubstituted Indeno[1,2-b]fluorene-6,12-dione-Thiophene Molecular Semiconductors. Enhancement of Ambipolar Charge Transport Through Synthetic Tailoring of Alkyl Substituents.","RSC Adv.","2015","","","","","10.1039/C5RA22359H","","","0.71073","MoKα","","0.0566","0.0454","","","0.1093","0.1159","","","","","","1.009","","","","has coordinates","171542","2020-10-21","18:00:00",""
"7223482","5.81","0.005","9.256","0.005","26.893","0.005","90","","94.997","0.005","90","","1440.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Parveen, Mehtab; Azaz, Shaista; Malla, Ali Mohammed; Ahmad, Faheem; Ahmad, Musheer; Gupta, Mayank","SiO2/ZnBr2 mediated expeditious approach to 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one derivatives in water under microwave irradiation","RSC Adv.","2015","","","","","10.1039/C5RA21146H","","","0.71073","MoKα","","0.0675","0.0501","","","0.1268","0.138","","","","","","1.038","","","","has coordinates","171543","2020-10-21","18:00:00",""
"7223483","11.6765","0.0004","10.3852","0.0002","15.0913","0.0004","90","","107.074","0.003","90","","1749.36","0.09","296","1","296","1","","","","","","","","6","P 1 n 1","P -2yac","7","","UZAR-S12","","- C24 H31 N15 O6 S3 Zn2 -","- C24 H31 N15 O6 S3 Zn2 -","- C48 H62 N30 O12 S6 Zn4 -","2","1","","Perea-Cachero, Adelaida; Seoane, Beatriz; Diosdado, Beatriz; Tellez, Carlos; Coronas, Joaquin","Synthesis, structure and characterization of a layered coordination polymer based on Zn(II) and 6-(methylmercapto)purine","RSC Adv.","2015","","","","","10.1039/C5RA23134E","","","0.71073","MoKα","","0.0727","0.0519","","","0.0956","0.1035","","","","","","1.042","","","","has coordinates","171544","2020-10-21","18:00:00",""
"7223484","11.6757","0.0008","10.3908","0.0004","15.1045","0.0007","90","","107.129","0.006","90","","1751.19","0.17","296","1","296","1","","","","","","","","6","P 1 n 1","P -2yac","7","","Desolvated UZAR-S12","","- C21 H24 N14 O5 S3 Zn2 -","- C21 H22 N14 O5 S3 Zn2 -","- C42 H44 N28 O10 S6 Zn4 -","2","1","","Perea-Cachero, Adelaida; Seoane, Beatriz; Diosdado, Beatriz; Tellez, Carlos; Coronas, Joaquin","Synthesis, structure and characterization of a layered coordination polymer based on Zn(II) and 6-(methylmercapto)purine","RSC Adv.","2015","","","","","10.1039/C5RA23134E","","","0.71073","MoKα","","0.1311","0.0704","","","0.1284","0.1546","","","","","","1.007","","","","has coordinates","171544","2020-10-21","18:00:00",""
"7223485","22.6632","0.0011","10.9979","0.0003","17.6446","0.0008","90","","110.416","0.005","90","","4121.6","0.3","293","2","293","2","","","","","","","Layering Method at low temperature","5","I 1 2/a 1","-I 2ya","15","","3-amino-1-(4-chlorophenyl)-1',3'-dimethyl-2',4',6'-trioxo-2',3',4',6,6',7,8,8a-octahydro-1H,1'H-spiro[naphthalene-2,5'-pyrimidine]-4-carbonitrile","","- C22 H21 Cl N4 O3 -","- C22 H21 Cl N4 O3 -","- C176 H168 Cl8 N32 O24 -","8","1","","M, Rajeswari; Saluja, Pooja; Khurana, Jitender","A Facile and Green Approach for the Synthesis of Spiro[naphthalene-2,5'-pyrimidine]-4-carbonitrile via One-Pot Three-Component Condensation Reaction using DBU as Catalyst","RSC Adv.","2015","","","","","10.1039/C5RA22817D","","","0.71073","MoKα","","0.1448","0.0761","","","0.1816","0.2198","","","","","","0.983","","","","has coordinates","171545","2020-10-21","18:00:00",""
"7223486","12.474","0.003","6.1241","0.0017","19.93","0.006","90","","100.744","0.006","90","","1495.8","0.7","293","2","293","2","","","","","","","lithocholic acid","5","P 1 21 1","P 2yb","4","","MSW-167","","- C33 H45 Cl N2 O3 -","- C33 H45 Cl N2 O2.9 -","- C66 H90 Cl2 N4 O5.8 -","2","1","","Mao, Shi-Wei; Shuai, Lin; He, Hai-Bing; Pan, Na; Gao, Li-Xin; Yu, Li-Fang; Li, Jia; Li, Jing-Ya; Yang, Fan","Synthesis and biological evaluation of novel 2,3-pyrazole ring-substituted-4,4-dimethyl lithocholic acid derivatives as selective protein tyrosine phosphatase 1B (PTP1B) inhibitors with cellular efficacy","RSC Adv.","2015","5","129","106551","","10.1039/C5RA20238H","","","0.71073","MoKα","","0.115","0.0591","","","0.1311","0.1582","","","","","","0.915","","","","has coordinates,has disorder","171546","2020-10-21","18:00:00",""
"7223494","37.184","0.005","10.465","0.005","26.604","0.005","90","0.005","131.927","0.005","90","0.005","7702","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H104 Ge2 N8 S2 Si4 -","- C71 H104 Ge2 N8 S2 Si4 -","- C284 H416 Ge8 N32 S8 Si16 -","4","0.5","","Barman, Milan Kumar; Nembenna, Sharanappa","Mixed guanidinato-amido Ge(IV) and Sn(IV) complexes with Ge=E (E = S, Se) double bond and SnS4, Sn2Se2 rings†","RSC Adv.","2015","","","","","10.1039/C5RA24280K","","","0.71069","MoKα","","0.092","0.0622","","","0.1663","0.1882","","","","","","1.075","","","","has coordinates","171575","2020-10-21","18:00:00",""
"7223495","18.6303","0.001","10.2343","0.0005","18.6276","0.0009","90","","90.622","0.003","90","","3551.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H50 Ge N4 Se Si2 -","- C29 H50 Ge N4 Se Si2 -","- C116 H200 Ge4 N16 Se4 Si8 -","4","1","","Barman, Milan Kumar; Nembenna, Sharanappa","Mixed guanidinato-amido Ge(IV) and Sn(IV) complexes with Ge=E (E = S, Se) double bond and SnS4, Sn2Se2 rings†","RSC Adv.","2015","","","","","10.1039/C5RA24280K","","","0.71073","MoKα","","0.0482","0.0379","","","0.0868","0.0906","","","","","","1.052","","","","has coordinates","171575","2020-10-21","18:00:00",""
"7223496","12.328","0.003","18.377","0.004","18.647","0.004","106.217","0.005","107.376","0.004","94.718","0.004","3807.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H54 N4 O0.5 S4 Si2 Sn -","- C31 H54 N4 O0.5 S4 Si2 Sn -","- C124 H216 N16 O2 S16 Si8 Sn4 -","4","2","","Barman, Milan Kumar; Nembenna, Sharanappa","Mixed guanidinato-amido Ge(IV) and Sn(IV) complexes with Ge=E (E = S, Se) double bond and SnS4, Sn2Se2 rings†","RSC Adv.","2015","","","","","10.1039/C5RA24280K","","","0.71073","MoKα","","0.0958","0.0471","","","0.1061","0.1317","","","","","","1.009","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223497","13.142","0.005","14.843","0.005","18.533","0.005","96.409","0.005","91.916","0.005","110.364","0.005","3357.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H100 N8 Se2 Si4 Sn2 -","- C58 H100 N8 Se2 Si4 Sn2 -","- C116 H200 N16 Se4 Si8 Sn4 -","2","1","","Barman, Milan Kumar; Nembenna, Sharanappa","Mixed guanidinato-amido Ge(IV) and Sn(IV) complexes with Ge=E (E = S, Se) double bond and SnS4, Sn2Se2 rings†","RSC Adv.","2015","","","","","10.1039/C5RA24280K","","","0.71069","MoKα","","0.198","0.0908","","","0.2035","0.2649","","","","","","0.973","","","","has coordinates","171575","2020-10-21","18:00:00",""
"7223498","11.5192","0.0008","14.4309","0.001","10.9492","0.0008","90","","101.064","0.002","90","","1786.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O6 -","- C18 H15 N3 O6 -","- C72 H60 N12 O24 -","4","1","","Das, Asish R.; Mukherjee, Prasun","Facile synthesis of functionalized 6-cyano-2-oxa-7-azabicyclo[4.1.0]hept-3-en-1-yl acetates : a catalyst free approach to access the pyran fused 2-acetoxy-NH-aziridines","RSC Adv.","2015","","","","","10.1039/C5RA24510A","","","0.71073","MoKα","","0.0557","0.0474","","","0.1708","0.1945","","","","","","0.849","","","","has coordinates","171577","2020-10-21","18:00:00",""
"7223499","12.0263","0.0011","12.8267","0.0012","15.6641","0.0014","70.463","0.004","69.253","0.004","62.293","0.003","1958","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C88 H64 N8 O24 -","4","2","","Das, Asish R.; Mukherjee, Prasun","Facile synthesis of functionalized 6-cyano-2-oxa-7-azabicyclo[4.1.0]hept-3-en-1-yl acetates : a catalyst free approach to access the pyran fused 2-acetoxy-NH-aziridines","RSC Adv.","2015","","","","","10.1039/C5RA24510A","","","0.71073","MoKα","","0.0675","0.0402","","","0.0692","0.0796","","","","","","0.982","","","","has coordinates","171577","2020-10-21","18:00:00",""
"7223500","8.1462","0.0019","9.013","0.002","12.122","0.003","76.794","0.01","72.91","0.009","79.128","0.009","821.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","","Das, Asish R.; Mukherjee, Prasun","Facile synthesis of functionalized 6-cyano-2-oxa-7-azabicyclo[4.1.0]hept-3-en-1-yl acetates : a catalyst free approach to access the pyran fused 2-acetoxy-NH-aziridines","RSC Adv.","2015","","","","","10.1039/C5RA24510A","","","0.71073","MoKα","","0.0503","0.0452","","","0.1557","0.1725","","","","","","0.677","","","","has coordinates","171577","2020-10-21","18:00:00",""
"7223501","7.8756","0.0012","12.1142","0.0018","12.4328","0.0019","86.913","0.007","76.478","0.007","73.204","0.007","1104","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O6 -","- C24 H19 N3 O6 -","- C48 H38 N6 O12 -","2","1","","Das, Asish R.; Mukherjee, Prasun","Facile synthesis of functionalized 6-cyano-2-oxa-7-azabicyclo[4.1.0]hept-3-en-1-yl acetates : a catalyst free approach to access the pyran fused 2-acetoxy-NH-aziridines","RSC Adv.","2015","","","","","10.1039/C5RA24510A","","","0.71073","MoKα","","0.0607","0.0515","","","0.1965","0.2208","","","","","","0.947","","","","has coordinates","171577","2020-10-21","18:00:00",""
"7223502","5.7508","0.0011","10.2102","0.0019","10.3282","0.0019","60.929","0.002","80.487","0.003","76.75","0.003","514.89","0.17","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3,3,9,9-tetramethyl-6-phenyl-3,4,8,9,10,12-hexahydro-1H-6,12-methanodibenzo[d,g][1,3]dioxocine-1,11(2H)-dione","","- C25 H28 O4 -","- C25 H28 O4 -","- C25 H28 O4 -","1","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0406","0.0392","","","0.1066","0.1081","","","","","","1.032","","","","has coordinates","171578","2020-10-21","18:00:00",""
"7223503","19.0793","0.0011","11.3954","0.0007","22.0551","0.0013","90","","98.763","0.001","90","","4739.2","0.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,2'-(3-(4-chlorophenyl)-3-oxopropane-1, 1-diyl) bis (3-hydroxy-5, 5-dimethylcyclohex-2-enone)","","- C25 H29 Cl O5 -","- C25 H29 Cl O5 -","- C200 H232 Cl8 O40 -","8","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0521","0.0431","","","0.1191","0.1285","","","","","","1.024","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223533","11.7413","0.0008","17.4898","0.0011","18.9005","0.0012","72.116","0.001","79.328","0.001","77.727","0.001","3579.2","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H84 Gd N3 Ni O9 S4 -","- C72 H84 Gd N3 Ni O9 S4 -","- C144 H168 Gd2 N6 Ni2 O18 S8 -","2","1","","Ge, Jing-Yuan; Xie, Jia-Ze; Zhao, Zhuang-Yu; Ru, Jing; Song, You; Zuo, Jing-Lin","Thiacalix[4]arene-supported heterodinuclear NiII-LnIII complexes: slow magnetic relaxation behavior in dysprosium analogue","RSC Adv.","2015","","","","","10.1039/C5RA23697E","","","0.71073","MoKα","","0.0518","0.0433","","","0.1227","0.1426","","","","","","1.11","","","","has coordinates","171595","2020-10-21","18:00:00",""
"7223534","11.7563","0.0015","17.521","0.002","18.887","0.002","72.23","0.002","79.386","0.002","77.672","0.002","3589.6","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H84 N3 Ni O9 S4 Tb -","- C72 H84 N3 Ni O9 S4 Tb -","- C144 H168 N6 Ni2 O18 S8 Tb2 -","2","1","","Ge, Jing-Yuan; Xie, Jia-Ze; Zhao, Zhuang-Yu; Ru, Jing; Song, You; Zuo, Jing-Lin","Thiacalix[4]arene-supported heterodinuclear NiII-LnIII complexes: slow magnetic relaxation behavior in dysprosium analogue","RSC Adv.","2015","","","","","10.1039/C5RA23697E","","","0.71073","MoKα","","0.0676","0.0473","","","0.1226","0.1487","","","","","","1.027","","","","has coordinates","171595","2020-10-21","18:00:00",""
"7223535","11.7432","0.0011","17.4859","0.0017","18.8642","0.0018","72.285","0.001","79.414","0.001","77.774","0.002","3576.5","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H84 Dy N3 Ni O9 S4 -","- C72 H84 Dy N3 Ni O9 S4 -","- C144 H168 Dy2 N6 Ni2 O18 S8 -","2","1","","Ge, Jing-Yuan; Xie, Jia-Ze; Zhao, Zhuang-Yu; Ru, Jing; Song, You; Zuo, Jing-Lin","Thiacalix[4]arene-supported heterodinuclear NiII-LnIII complexes: slow magnetic relaxation behavior in dysprosium analogue","RSC Adv.","2015","","","","","10.1039/C5RA23697E","","","0.71073","MoKα","","0.0417","0.0367","","","0.1032","0.1094","","","","","","1.063","","","","has coordinates","171595","2020-10-21","18:00:00",""
"7223536","14.6547","0.0005","34.5808","0.0013","35.0669","0.0011","90","","90","","90","","17770.9","1.1","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C84 H89.5 Fe2 N20 O8.75 -","- C84 H89.5 Fe2 N20 O8.75 -","- C672 H716 Fe16 N160 O70 -","8","1","","Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase","Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.","RSC Advances","2015","6","1","575","585","10.1039/C5RA16732A","","x-ray","0.71073","MoKα","","0.1107","0.0875","","","0.242","0.2694","","","","","","1.042","","","","has coordinates,has disorder","206167","2020-10-21","18:00:00",""
"7223537","17.7101","0.0009","13.2378","0.0005","17.869","0.0009","90","","90.847","0.002","90","","4188.8","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C60 H38 Cd3 N6 O12 -","- C60 H38 Cd3 N6 O12 -","- C120 H76 Cd6 N12 O24 -","2","0.5","","Wen, Lili; Wang, Xiangfang; Shi, Hui; Lv, Kangle; Wang, Chenggang","Multifunctional Cadmium-Organic Framework Comprising Tricarboxytriphenyl Amine: Selective Gas Adsorption, Liquid-Phase Separation and Luminescent Sensing","RSC Adv.","2015","","","","","10.1039/C5RA21980A","","","0.71073","MoKα","","0.0854","0.0434","","","0.1144","0.1234","","","","","","1.051","","","","has coordinates,has disorder","171597","2020-10-21","18:00:00",""
"7223538","7.3328","0.0003","9.2003","0.0004","19.7779","0.0008","90","","90","","90","","1334.3","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-chloro-4-(4-methoxyphenyl)-1-methylindoline-2,3-dione","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","1","","Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Regioselective Suzuki‒Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study","RSC Adv.","2015","5","130","107360","","10.1039/C5RA16841D","","","0.71073","MoKα","","0.0481","0.0364","","","0.08","0.0864","","","","","","1.031","","","","has coordinates","171598","2020-10-21","18:00:00",""
"7223539","3.8951","0.0006","24.185","0.003","13.5874","0.0017","90","","93.733","0.007","90","","1277.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-chloro-1-methyl-4-(4-tolyl)indoline-2,3-dione","","- C16 H12 Cl N O2 -","- C16 H12 Cl N O2 -","- C64 H48 Cl4 N4 O8 -","4","1","","Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Regioselective Suzuki‒Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study","RSC Adv.","2015","5","130","107360","","10.1039/C5RA16841D","","","0.71073","MoKα","","0.1686","0.0684","","","0.1096","0.1404","","","","","","1.008","","","","has coordinates","171598","2020-10-21","18:00:00",""
"7223555","7.8274","0.0003","11.2215","0.0005","11.4253","0.0005","71.279","0.002","72.2245","0.0018","71.6451","0.0019","878.51","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrimidine derivative","","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C40 H36 N8 O8 -","2","1","","Kaur, Gaganpreet; Singh, Amanpreet; Venugoplan, Paloth; Singh, Narinder; Kaur, Navneet","Selective Recognition of Lithium (I) Ions using Biginelli based Fluorescent Organic Nanoparticles in aqueous medium","RSC Adv.","2015","","","","","10.1039/C5RA16743D","","","0.71073","MoKα","","0.0734","0.0578","","","0.159","0.1691","","","","","","1.036","","","","has coordinates","171624","2020-10-21","18:00:00",""
"7223556","10.4057","0.0003","21.2989","0.0006","21.0249","0.0006","90","","100.811","0.001","90","","4577","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16.33333 Cl N6 O3.66667 -","- C12 H16.3333 Cl N6 O3.66667 -","- C144 H196 Cl12 N72 O44 -","12","3","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Marchetti, Fabio; Pettinari, Claudio; Petrelli, Dezemona; Vitali, Luca A.; Quassinti, Luana; Bramucci, Massimo; Lupidi, Giulio; Pombeiro, Armando J. L.","DNA and BSA Binding, Anticancer and Antimicrobial Properties of Co(II), Co(II/III), Cu(II) and Ag(I) Complexes of Arylhydrazones of Barbituric Acid","RSC Adv.","2015","","","","","10.1039/C5RA20157H","","","0.71073","MoKα","","0.1088","0.0857","","","0.2288","0.2558","","","","","","1.085","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223557","8.453","0.0002","9.1802","0.0003","9.5557","0.0003","69.666","0.003","69.858","0.002","79.279","0.002","650.93","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Ag N4 O7 S -","- C10 H9 Ag N4 O7 S -","- C20 H18 Ag2 N8 O14 S2 -","2","1","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Marchetti, Fabio; Pettinari, Claudio; Petrelli, Dezemona; Vitali, Luca A.; Quassinti, Luana; Bramucci, Massimo; Lupidi, Giulio; Pombeiro, Armando J. L.","DNA and BSA Binding, Anticancer and Antimicrobial Properties of Co(II), Co(II/III), Cu(II) and Ag(I) Complexes of Arylhydrazones of Barbituric Acid","RSC Adv.","2015","","","","","10.1039/C5RA20157H","","","0.71069","MoKα","","0.0526","0.0465","","","0.1401","0.1441","","","","","","1.093","","","","has coordinates","171625","2020-10-21","18:00:00",""
"7223558","7.1448","0.0018","11.28","0.004","12.049","0.004","116.777","0.012","98.803","0.011","97.186","0.011","835.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N6 O8 S -","- C13 H16 N6 O8 S -","- C26 H32 N12 O16 S2 -","2","1","","Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Marchetti, Fabio; Pettinari, Claudio; Petrelli, Dezemona; Vitali, Luca A.; Quassinti, Luana; Bramucci, Massimo; Lupidi, Giulio; Pombeiro, Armando J. L.","DNA and BSA Binding, Anticancer and Antimicrobial Properties of Co(II), Co(II/III), Cu(II) and Ag(I) Complexes of Arylhydrazones of Barbituric Acid","RSC Adv.","2015","","","","","10.1039/C5RA20157H","","","0.71073","MoKα","","0.0939","0.059","","","0.1523","0.1817","","","","","","0.957","","","","has coordinates","171625","2020-10-21","18:00:00",""
"7223559","9.505","0.002","16.483","0.004","27.196","0.006","90","","97.697","0.002","90","","4222.4","1.6","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tin (IV) siloxanes","","- C32 H72 O8 Si2 Sn -","- C32 H72 O8 Si2 Sn -","- C128 H288 O32 Si8 Sn4 -","4","1","","Mohan, Gopalakrishnan; Nallasamy, Palanisami","New Sterically Hindered Tin(IV) Siloxane Precursors to Tinsilicate Materials: Synthesis, Spectral, Structural and Photocatalytic Studies","RSC Adv.","2015","","","","","10.1039/C5RA23424G","","","0.71073","MoKα","","0.0398","0.0331","","","0.0729","0.0758","","","","","","1.118","","","","has coordinates","171626","2020-10-21","18:00:00",""
"7223560","18.2467","0.0007","20.9491","0.0007","21.4267","0.0008","90","","90","","90","","8190.4","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GP-28","Organotinsiloxane","","- C44 H48 O2 Si2 Sn -","- C44 H48 O2 Si2 Sn -","- C352 H384 O16 Si16 Sn8 -","8","1","","Mohan, Gopalakrishnan; Nallasamy, Palanisami","New Sterically Hindered Tin(IV) Siloxane Precursors to Tinsilicate Materials: Synthesis, Spectral, Structural and Photocatalytic Studies","RSC Adv.","2015","","","","","10.1039/C5RA23424G","","","0.71073","MoKα","","0.0779","0.0375","","","0.0744","0.0924","","","","","","1.103","","","","has coordinates,has disorder","171626","2020-10-21","18:00:00",""
"7223561","13.339","0.0012","9.4207","0.0007","20.8663","0.0014","90","","90","","90","","2622.1","0.4","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 I2 Mn N4 O2 -","- C24 H18 Cl2 I2 Mn N4 O2 -","- C96 H72 Cl8 I8 Mn4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.0648","0.0422","","","0.0774","0.0827","","","","","","1.072","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7223562","20.474","0.009","13.357","0.005","9.346","0.004","90","","91.06","0.04","90","","2555.4","1.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br2 Cl2 Mn N4 O2 -","- C24 H18 Br2 Cl2 Mn N4 O2 -","- C96 H72 Br8 Cl8 Mn4 N16 O8 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.0941","0.079","","","0.1754","0.1941","","","","","","0.863","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7223563","6.8043","0.0008","12.7288","0.0013","15.384","0.002","90","","94.851","0.011","90","","1327.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl3 Mn N2 O -","- C12 H9 Cl3 Mn N2 O -","- C48 H36 Cl12 Mn4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.0825","0.0712","","","0.0923","0.1009","","","","","","0.914","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7223564","13.476","0.004","19.011","0.004","9.349","0.003","90","","90","","90","","2395.1","1.2","298","2","298","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C24 H18 Cl2 F2 Mn N4 O2 -","- C24 H18 Cl2 F2 Mn N4 O2 -","- C96 H72 Cl8 F8 Mn4 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza","The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds","RSC Adv.","2015","","","","","10.1039/C5RA25192C","","","0.71073","MoKα","","0.067","0.0461","","","0.0746","0.0894","","","","","","1.011","","","","has coordinates","171627","2020-10-21","18:00:00",""
"7223565","16.6815","0.0017","21.985","0.002","17.129","0.002","90","","96.646","0.003","90","","6239.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 Cd3 N12 O18 -","- C58 H44 Cd3 N12 O18 -","- C232 H176 Cd12 N48 O72 -","4","0.5","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0542","0.0482","","","0.1398","0.1452","","","","","","1.049","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223566","16.095","0.003","16.492","0.003","16.308","0.003","90","","118.02","0.005","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H30.5 Cd2 N6 O10.25 -","- C35 H28 Cd2 N6 O10.25 -","- C140 H112 Cd8 N24 O41 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0799","0.0658","","","0.1595","0.1686","","","","","","1.132","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223567","15.964","0.004","16.319","0.003","16.578","0.004","90","","118.02","0.004","90","","3812.6","1.5","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H24 Cd2 N8 O14 -","- C33 H22 Cd2 N8 O14 -","- C132 H88 Cd8 N32 O56 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0789","0.0626","","","0.1492","0.1595","","","","","","1.093","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223568","24.5296","0.0006","19.2262","0.0006","16.5962","0.0004","90","","94.361","0.003","90","","7804.3","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H81 Cd4 Cl N18 O27 -","- C67 H79 Cd4 Cl N18 O27 -","- C268 H316 Cd16 Cl4 N72 O108 -","4","0.5","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","1.54184","CuKα","","0.0664","0.052","","","0.1423","0.1532","","","","","","1.05","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223569","14.877","0.003","16.998","0.003","16.095","0.003","90","","112.498","0.003","90","","3760.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Cd2 N6 O15 -","- C27 H34 Cd2 N6 O15 -","- C108 H136 Cd8 N24 O60 -","4","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.0506","0.0414","","","0.1354","0.1431","","","","","","1.047","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223570","10.4052","0.0014","12.1291","0.0015","16.213","0.002","84.763","0.006","83.142","0.005","89.783","0.006","2023","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H38 Cd2 N6 O12 -","- C37 H33 Cd2 N6 O12 -","- C74 H66 Cd4 N12 O24 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0807","0.0604","","","0.1603","0.1751","","","","","","1.087","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223571","9.6296","0.0015","12.867","0.0016","13.3979","0.0017","71.781","0.013","75.362","0.015","74.395","0.015","1492.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N6 O8 Zn -","- C33 H24 N6 O8 Zn -","- C66 H48 N12 O16 Zn2 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.7107","MoKα","","0.0937","0.065","","","0.1363","0.1515","","","","","","1.056","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223572","9.135","0.003","10.723","0.004","16.636","0.006","94.855","0.006","102.944","0.006","107.147","0.004","1497.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 Zn -","- C29 H32 N6 O7 Zn -","- C58 H64 N12 O14 Zn2 -","2","1","","Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing","Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands","RSC Adv.","2015","5","129","107166","","10.1039/C5RA19936K","","","0.71075","MoKα","","0.1147","0.0771","","","0.1453","0.1657","","","","","","1.014","","","","has coordinates","171628","2020-10-21","18:00:00",""
"7223573","19.7484","0.0011","7.6185","0.0004","30.3815","0.0017","90","","105.814","0.005","90","","4398","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 N12 O8 Zn3 -","- C48 H30 N12 O8 Zn3 -","- C192 H120 N48 O32 Zn12 -","4","0.5","","Huang, Rong-Yi; Jiang, Hao; Zhu, Chang-Hai; Xu, Heng","Dicarboxylate ligands‒modulated assembly of new luminescent zinc(II) coordination polymers with in situ formed tetrazole ligand: An experimental and theoretical study","RSC Adv.","2015","","","","","10.1039/C5RA20443G","","","0.71073","MoKα","","0.0592","0.0426","","","0.121","0.134","","","","","","1.008","","","","has coordinates","171629","2020-10-21","18:00:00",""
"7223574","8.4395","0.0001","10.4158","0.0002","11.1161","0.0001","104.454","0.001","102.452","0.001","94.865","0.001","913.98","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N14 O10 Zn3 -","- C34 H24 N14 O10 Zn3 -","- C34 H24 N14 O10 Zn3 -","1","0.5","","Huang, Rong-Yi; Jiang, Hao; Zhu, Chang-Hai; Xu, Heng","Dicarboxylate ligands‒modulated assembly of new luminescent zinc(II) coordination polymers with in situ formed tetrazole ligand: An experimental and theoretical study","RSC Adv.","2015","","","","","10.1039/C5RA20443G","","","0.71073","MoKα","","0.0424","0.0317","","","0.0643","0.0667","","","","","","1.003","","","","has coordinates","171629","2020-10-21","18:00:00",""
"7223575","25.805","0.005","24.464","0.005","23.177","0.005","90","","120.81","0.03","90","","12567","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Dy2 F36 N5 O16 -","- C40 H26 Dy2 F36 N5 O16 -","- C320 H208 Dy16 F288 N40 O128 -","8","1","","Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng","Modulating spin dynamics of LnIII-radical complexes by using different coligand","RSC Adv.","2015","","","","","10.1039/C5RA21991D","","","0.71073","MoKα","","0.0736","0.0604","","","0.1486","0.1564","","","","","","1.065","","","","has coordinates","171630","2020-10-21","18:00:00",""
"7223576","25.752","0.004","24.466","0.004","23.085","0.003","90","","120.758","0.004","90","","12499","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H27 Cl F36 Gd2 N5 O16 -","- C40.5 H27 Cl1.0005 F36 Gd2 N5 O16 -","- C324 H216 Cl8.004 F288 Gd16 N40 O128 -","8","1","","Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng","Modulating spin dynamics of LnIII-radical complexes by using different coligand","RSC Adv.","2015","","","","","10.1039/C5RA21991D","","","0.71073","MoKα","","0.0707","0.0508","","","0.1208","0.1373","","","","","","1.043","","","","has coordinates,has disorder","171630","2020-10-21","18:00:00",""
"7223577","25.7269","0.0015","24.4137","0.0014","23.2052","0.0013","90","","120.794","0.001","90","","12520.1","1.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H26 Cl F36 N5 O16 Tb2 -","- C40.5 H26 Cl F36 N5 O16 Tb2 -","- C324 H208 Cl8 F288 N40 O128 Tb16 -","8","1","","Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng","Modulating spin dynamics of LnIII-radical complexes by using different coligand","RSC Adv.","2015","","","","","10.1039/C5RA21991D","","","0.71073","MoKα","","0.0466","0.0355","","","0.0805","0.0874","","","","","","1.029","","","","has coordinates","171630","2020-10-21","18:00:00",""
"7223578","27.474","0.002","21.7415","0.0018","33.465","0.003","90","","102.25","0.001","90","","19534","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H45 F9 Gd N5 O9.5 -","- C40 H34 F9 Gd N5 O8 -","- C640 H544 F144 Gd16 N80 O128 -","16","2","","Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng","Modulating spin dynamics of LnIII-radical complexes by using different coligand","RSC Adv.","2015","","","","","10.1039/C5RA21991D","","","0.71073","MoKα","","0.1866","0.0982","","","0.2286","0.2636","","","","","","1.006","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223592","16.874","0.003","10.8932","0.0019","17.308","0.003","90","","90","","90","","3181.4","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C160 H120 N8 O32 -","8","1","","Wang, Cunde; Xue, Shuwen; Yao, Juan; Liu, Jiaming; Wang, Lizhong; Liu, Xinyu","Three-Component Reaction between Substituted 2-(2-Nitrovinyl)-phenols, Acetylenedicarboxylate and Amines: Diversity-Oriented Synthesis of Novel Pyrrolo[3,4-c]coumarins","RSC Adv.","2015","","","","","10.1039/C5RA23392E","","","0.71073","MoKα","","0.1961","0.072","","","0.1431","0.1826","","","","","","0.996","","","","has coordinates","171681","2020-10-21","18:00:00",""
"7223593","7.9547","0.0015","8.5268","0.0016","14.076","0.003","85.276","0.005","82.284","0.005","63.553","0.005","846.8","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O4 -","- C20 H14 Cl N O4 -","- C40 H28 Cl2 N2 O8 -","2","1","","Wang, Cunde; Xue, Shuwen; Yao, Juan; Liu, Jiaming; Wang, Lizhong; Liu, Xinyu","Three-Component Reaction between Substituted 2-(2-Nitrovinyl)-phenols, Acetylenedicarboxylate and Amines: Diversity-Oriented Synthesis of Novel Pyrrolo[3,4-c]coumarins","RSC Adv.","2015","","","","","10.1039/C5RA23392E","","","0.71073","MoKα","","0.104","0.0556","","","0.1259","0.1447","","","","","","1.012","","","","has coordinates","171681","2020-10-21","18:00:00",""
"7223594","11.477","0.0012","11.4866","0.001","14.2984","0.0016","89.101","0.008","74.396","0.01","70.145","0.009","1701.6","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C36 H72 Cl18 Fe4 N6 O12 -","- C36 H72 Cl18 Fe4 N6 O12 -","- C36 H72 Cl18 Fe4 N6 O12 -","1","0.5","","Mishra, Shashank; Jeanneau, Erwann; Rolland, Marc; Daniele, Stephane","Structural isomers of iron(III) N-methyl diethanolaminate as sol-gel precursors for iron-based oxide nanomaterials","RSC Adv.","2015","","","","","10.1039/C5RA24627J","","x-ray","0.71073","MoKα","","0.0908","0.0413","","","0.0945","0.105","","","","","","0.83","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7223595","11.3859","0.0002","13.7637","0.00029","22.7538","0.0004","87.8178","0.001","80.2066","0.0011","76.4053","0.0011","3415.38","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 Cl18 Fe4 N6 O12 -","- C36 H72 Cl18 Fe4 N6 O12 -","- C72 H144 Cl36 Fe8 N12 O24 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Rolland, Marc; Daniele, Stephane","Structural isomers of iron(III) N-methyl diethanolaminate as sol-gel precursors for iron-based oxide nanomaterials","RSC Adv.","2015","","","","","10.1039/C5RA24627J","","","0.71069","MoKα","","0.1396","0.1038","","0.0959","0.0854","0.0837","","","","","","1.1532","","","","has coordinates","171682","2020-10-21","18:00:00",""
"7223601","13.886","0.008","23.55","0.014","10.938","0.007","90","","110.492","0.008","90","","3351","4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 O4 V -","- C34 H53 O4 V -","- C136 H212 O16 V4 -","4","1","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71075","MoKα","","0.2607","0.0922","","","0.1574","0.2193","","","","","","1.016","","","","has coordinates","171718","2020-10-21","18:00:00",""
"7223602","11.0268","0.0007","19.1028","0.0013","70.103","0.005","90","","90","","90","","14766.7","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H104 Cl4 O8 V2 -","- C72 H104 Cl4 O8 V2 -","- C576 H832 Cl32 O64 V16 -","8","1","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71075","MoKα","","0.1055","0.0721","","","0.2001","0.2248","","","","","","1.043","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223603","21.4616","0.0015","14.3723","0.001","25.678","0.0018","90","","104.267","0.001","90","","7676.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 Cl4 O8 V2 -","- C72 H104 O8 V2 -","- C288 H416 O32 V8 -","4","1","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71073","MoKα","","0.0762","0.0541","","","0.1439","0.1615","","","","","","1.036","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223604","21.479","0.015","14.382","0.009","25.952","0.018","90","","103.682","0.007","90","","7789","9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 Cl6 O8 V2 -","- C73 H106 Cl2 O8 V2 -","- C292 H424 Cl8 O32 V8 -","4","1","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.6889","synchrotron","","0.1854","0.1279","","","0.3218","0.37","","","","","","1.034","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223605","10.6773","0.0007","18.5913","0.0013","21.252","0.0015","90","","96.075","0.001","90","","4194.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H112 Cl2 N6 O4 V2 -","- C86 H112 Cl2 N6 O4 V2 -","- C172 H224 Cl4 N12 O8 V4 -","2","0.5","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71073","MoKα","","0.0869","0.0736","","","0.1837","0.1911","","","","","","1.109","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223606","10.9672","0.0008","18.3003","0.0013","14.5447","0.001","90","","97.721","0.014","90","","2892.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 O4 -","- C64 H86 O4 -","- C128 H172 O8 -","2","0.5","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71075","MoKα","","0.1103","0.0709","","","0.1824","0.2076","","","","","","1.035","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223608","8.5566","0.0003","19.856","0.0007","11.1842","0.0003","90","","100.397","0.003","90","","1868.99","0.11","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H43 Cl Co Mn N6 O6 -","- C40 H43 Cl Co Mn N6 O6 -","- C80 H86 Cl2 Co2 Mn2 N12 O12 -","2","1","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0317","0.0272","","","0.0596","0.0606","","","","","","0.978","","","","has coordinates","171720","2020-10-21","18:00:00",""
"7223609","8.5862","0.0003","19.6159","0.0008","11.3835","0.0004","90","","100.884","0.004","90","","1882.79","0.12","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H43 Br Co Mn N6 O6 -","- C40 H43 Br Co Mn N6 O6 -","- C80 H86 Br2 Co2 Mn2 N12 O12 -","2","1","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0376","0.0297","","","0.056","0.0574","","","","","","0.933","","","","has coordinates","171720","2020-10-21","18:00:00",""
"7223610","12.0234","0.0005","18.2991","0.0009","27.7995","0.0009","90","","93.97","0.03","90","","6101.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 Co2 I Mn N10 O10 -","- C64 H72 Co2 I Mn N10 O10 -","- C256 H288 Co8 I4 Mn4 N40 O40 -","4","1","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0939","0.0441","","","0.0809","0.0872","","","","","","0.868","","","","has coordinates,has disorder","171720","2020-10-21","18:00:00",""
"7223611","35.108","0.002","9.1128","0.0004","23.8187","0.0018","90","","126.041","0.001","90","","6161.8","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H72 Co2 Mn N10 O10 -","- C64 H72 Co2 Mn N10 O10 -","- C256 H288 Co8 Mn4 N40 O40 -","4","0.5","","Nemec, Ivan; Herchel, Radovan; Travnicek, Zdenek; Silha, Tomas","Field-induced slow relaxation of magnetization in dinuclear and trinuclear CoIII•••MnIII complexes","RSC Adv.","2015","","","","","10.1039/C5RA23922B","","","0.71073","MoKα","","0.0533","0.0352","","","0.0827","0.0859","","","","","","0.942","","","","has coordinates,has disorder","171720","2020-10-21","18:00:00",""
"7223628","19.7049","0.0017","14.179","0.0012","23.48","0.002","90","","105.644","0.005","90","","6317.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ni3","","- C18 H42 N24 Ni3 O6 S6 -","- C18 H42 N24 Ni3 O6 S6 -","- C72 H168 N96 Ni12 O24 S24 -","4","0.5","","Gu, Xuefang; Li, Xian; Wu, Sijie; Shi, Jian; Jiang, Guoqing; Jiang, Guomin; Tian, Shu","A sensitive hydrazine hydrate sensor based on mercaptomethyl-terminated trinuclear Ni(II) complex modified gold electrode","RSC Adv.","2015","","","","","10.1039/C5RA23809A","","","0.71073","MoKα","","0.141","0.1161","","","0.3246","0.3421","","","","","","1.242","","","","has coordinates","171755","2020-10-21","18:00:00",""
"7223629","12.0266","0.0019","13.158","0.002","16.691","0.003","111.715","0.008","95.652","0.008","94.106","0.008","2425.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O8 S2 -","- C42 H46 N4 O8 S2 -","- C84 H92 N8 O16 S4 -","2","1","","Rangel, Maria; Moniz, Tania; Coimbra, João T. S.; Bras, Natercia Fernandes; Cunha-Silva, Luis; Ramos, Maria Joao; Fernandes, Pedro Alexandrino; de Castro, Baltazar","Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene","RSC Adv.","2015","","","","","10.1039/C5RA23217A","","","0.71073","MoKα","","0.0638","0.052","","","0.1439","0.1509","","","","","","1.053","","","","has coordinates","171756","2020-10-21","18:00:00",""
"7223630","8.5844","0.0006","12.4376","0.0009","19.9706","0.0014","77.945","0.004","87.615","0.004","86.94","0.004","2081.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Cl N4 O13 S2 -","- C35 H51 Cl N4 O13 S2 -","- C70 H102 Cl2 N8 O26 S4 -","2","1","","Rangel, Maria; Moniz, Tania; Coimbra, João T. S.; Bras, Natercia Fernandes; Cunha-Silva, Luis; Ramos, Maria Joao; Fernandes, Pedro Alexandrino; de Castro, Baltazar","Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene","RSC Adv.","2015","","","","","10.1039/C5RA23217A","","","0.71073","MoKα","","0.0869","0.0598","","","0.1457","0.1626","","","","","","1.021","","","","has coordinates","171756","2020-10-21","18:00:00",""
"7223631","13.8764","0.0005","9.0072","0.0004","18.6937","0.0008","90","","106.834","0.002","90","","2236.36","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N3 O2 S -","- C26 H25 N3 O2 S -","- C104 H100 N12 O8 S4 -","4","1","","Rangel, Maria; Moniz, Tania; Coimbra, João T. S.; Bras, Natercia Fernandes; Cunha-Silva, Luis; Ramos, Maria Joao; Fernandes, Pedro Alexandrino; de Castro, Baltazar","Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene","RSC Adv.","2015","","","","","10.1039/C5RA23217A","","","0.71073","MoKα","","0.0959","0.0469","","","0.0902","0.105","","","","","","1.012","","","","has coordinates","171756","2020-10-21","18:00:00",""
"7223632","7.3122","0.0004","10.9139","0.0006","11.3222","0.0006","102.644","0.002","95.56","0.002","106.19","0.002","834.58","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N3 O2 S -","- C19 H19 N3 O2 S -","- C38 H38 N6 O4 S2 -","2","1","","Rangel, Maria; Moniz, Tania; Coimbra, João T. S.; Bras, Natercia Fernandes; Cunha-Silva, Luis; Ramos, Maria Joao; Fernandes, Pedro Alexandrino; de Castro, Baltazar","Synthesis and structural characterization, by spectroscopic and computational methods, of two fluorescent 3-hydroxy-4-pyridinone chelators bearing sulphorhodamine B and naphthalene","RSC Adv.","2015","","","","","10.1039/C5RA23217A","","","0.71073","MoKα","","0.0588","0.0383","","","0.0811","0.0898","","","","","","1.03","","","","has coordinates","171756","2020-10-21","18:00:00",""
"7223772","11.243","0.002","18.664","0.004","21.085","0.004","90","","97.99","0.03","90","","4381.5","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C144 H224 Ag20 N60 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0287","0.0259","","","0.0619","0.0635","","","","","","1.008","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223773","11.365","0.005","9.329","0.004","20.985","0.01","90","","97.4147","0.0015","90","","2206.3","1.7","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C72 H112 Ag10 N30 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0905","","","","","","1.079","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223774","9.8861","0.0011","14.398","0.0015","15.8646","0.0017","91.955","0.001","73.911","0.001","74.304","0.001","2074.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Ag4 N12 O0 -","- C35 H59 Ag4 N12 -","- C70 H118 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0317","0.0269","","","0.0629","0.0664","","","","","","1.028","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223775","10.37","0.0004","14.3641","0.0005","15.3164","0.0006","89.577","0.001","74.198","0.001","69.63","0.001","2048.28","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ag4 N12 O0 -","- C32 H56 Ag4 N12 -","- C64 H112 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0309","","","0.0747","0.0839","","","","","","1.009","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223778","21.8059","0.0006","20.5551","0.0005","22.2812","0.0005","90","","115.892","0.001","90","","8984.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H122 Ag8 N24 O -","- C71 H122 Ag8 N24 O -","- C284 H488 Ag32 N96 O4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.1281","0.0648","","","0.1768","0.2426","","","","","","1.073","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223782","15.3067","0.0001","16.8196","0.0005","24.5506","0.0009","87.508","0.007","80.791","0.006","70.565","0.005","5883.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H121 Mn13 O57 P11 -","- C51 H121 Mn13 O57 P11 -","- C102 H242 Mn26 O114 P22 -","2","1","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0788","0.0587","","","0.1732","0.1975","","","","","","1.063","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223783","17.496","0.008","20.314","0.009","18.017","0.008","90","","96.771","0.007","90","","6359","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H150 K2 Mn15 O64 P10 -","- C72 H122 K2 Mn15 O64 P10 -","- C144 H244 K4 Mn30 O128 P20 -","2","0.5","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0931","0.0776","","","0.2187","0.2436","","","","","","1.015","","","","has coordinates,has disorder","194615","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223785","7.715","0.0001","11.5101","0.0002","11.1237","0.0002","90","","103.364","0.001","90","","961.04","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0247","0.0237","","","0.0587","0.0595","","","","","","1.149","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223786","18.041","0.002","10.0013","0.0013","7.0529","0.0009","90","","111.642","0.005","90","","1182.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-cadmium)","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0939","0.0822","","","0.2544","0.2627","","","","","","1.108","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223787","18.1586","0.0008","10.3322","0.0005","7.2771","0.0004","90","","110.45","0.03","90","","1279.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-cadmium)","","- C13 H9 Br2 Cd N -","- C13 H9 Br2 Cd N -","- C52 H36 Br8 Cd4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0534","0.0293","","","0.0713","0.0804","","","","","","1.07","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223788","17.7013","0.0008","10.792","0.0005","7.6053","0.0003","90","","107.355","0.002","90","","1386.72","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-iodido)-(acridine)-cadmium)","","- C13 H9 Cd I2 N -","- C13 H9 Cd I2 N -","- C52 H36 Cd4 I8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0379","0.0276","","","0.0642","0.0683","","","","","","1.074","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223789","16.6766","0.0009","10.0104","0.0005","7.0588","0.0003","90","","96.055","0.002","90","","1171.82","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(phenazine)-cadmium)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0686","0.0715","","","","","","1.071","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223790","17.8278","0.0006","10.0406","0.0004","7.1913","0.0002","90","","111.792","0.002","90","","1195.27","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-mercury)","","- C13 H9 Cl2 Hg N -","- C13 H9 Cl2 Hg N -","- C52 H36 Cl8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0869","0.0745","","","0.1979","0.2099","","","","","","1.02","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223791","17.9548","0.0013","10.3152","0.0008","7.4205","0.0005","90","","110.814","0.002","90","","1284.64","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-mercury)","","- C13 H9 Br2 Hg N -","- C13 H9 Br2 Hg N -","- C52 H36 Br8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0387","0.025","","","0.0524","0.0561","","","","","","0.983","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223792","7.7038","0.0002","9.0194","0.0002","9.5803","0.0003","64.986","0.002","80.681","0.002","82.477","0.002","593.82","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(m2-chloro)-(phenazine)-mercury)","","- C12 H8 Cl2 Hg N2 -","- C12 H8 Cl2 Hg N2 -","- C24 H16 Cl4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.7107","MoKα","","0.0441","0.0296","","","0.0571","0.0587","","","","","","0.943","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223793","8.0543","0.0004","9.3336","0.0005","9.7594","0.0005","64.112","0.002","75.888","0.002","83.03","0.002","640.03","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(m2-bromo)-(phenazine)-mercury)","catena-(bis(m2-bromo)-(phenazine)-mercury)","","- C12 H8 Br2 Hg N2 -","- C12 H8 Br2 Hg N2 -","- C24 H16 Br4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0923","0.0787","","","0.203","0.2177","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223794","4.0824","0.0002","9.6723","0.0005","11.1027","0.0005","71.406","0.002","80.156","0.002","78.525","0.002","404.48","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-bromo)-(2-phenazine)-mercury)","","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0272","0.0263","","","0.0691","0.07","","","","","","1.092","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223795","7.3885","0.0004","7.6432","0.0005","9.6655","0.0007","68.076","0.002","87.897","0.002","88.821","0.002","506","0.06","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-chloro)-(quinoline)-mercury)","","- C9 H7 Cl2 Hg N -","- C9 H7 Cl2 Hg N -","- C18 H14 Cl4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.048","0.0369","","","0.0794","0.087","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223796","7.6214","0.001","7.6716","0.0011","10.0092","0.0014","112.155","0.003","91.133","0.003","91.574","0.003","541.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(2-bromo)-(quinoline)-mercury)","catena-(bis(2-bromo)-(quinoline)-mercury)","","- C9 H7 Br2 Hg N -","- C9 H7 Br2 Hg N -","- C18 H14 Br4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0512","0.0402","","","0.0943","0.1006","","","","","","1.087","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223797","8.0024","0.0005","8.7714","0.0006","9.5211","0.0006","86.141","0.002","67.909","0.002","71.203","0.002","585.11","0.07","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(quinoline)-di-mercury","","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0629","0.0553","","","0.1415","0.1483","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223798","8.1694","0.0004","9.1306","0.0004","9.9609","0.0005","84.347","0.002","70.877","0.002","77.262","0.002","684.44","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury","","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0257","0.0256","","","0.0677","0.0678","","","","","","1.207","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7224688","12.4859","0.0002","4.69043","0.00012","13.94982","0.00027","90","","93.558","0.001","90","","815.39","0.03","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","1","0.25","","Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu","Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors","Journal of Materials Chemistry C","2015","3","0","12477","12483","10.1039/c5tc03271g","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.8","1.325","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224689","12.48631","0.00023","4.69045","0.00012","13.94852","0.00029","90","","93.5664","0.0011","90","","815.33","0.03","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","1","0.25","","Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu","Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors","Journal of Materials Chemistry C","2015","3","0","12477","12483","10.1039/c5tc03271g","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.25","1.221","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7233954","12.6244","0.0002","14.8163","0.0003","14.6426","0.0003","90","","91.253","0.002","90","","2738.2","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DEATPE","4,4'-(2,2-diphenylethene-1,1-diyl)bis(N,N-diethylaniline)","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","1","","Yiliu Lin; Gan Chen; Lifang Zhao; Wang Zhang Yuan; Yongming Zhang; Ben Zhong Tang","Diethylamino functionalized tetraphenylethenes: structural and electronic modulation of photophysical properties, implication for the CIE mechanism and application to cell imaging","Journal of Materials Chemistry C","2015","3","","112","120","10.1039/C4TC02161D","","","1.54178","CuKα","","0.06","0.0503","","","0.1419","0.147","","","","","","1.024","","","","has coordinates,has disorder","218537","2020-10-21","18:00:00",""
"7233955","9.6825","0.0004","10.7418","0.0005","14.3568","0.0007","73.476","0.004","76.694","0.004","88.074","0.004","1392.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(2,2-bis(4-fluorophenyl)ethene-1,1-diyl)bis(N,N-diethylaniline)","","- C34 H36 F2 N2 -","- C34 H36 F2 N2 -","- C68 H72 F4 N4 -","2","1","","Yiliu Lin; Gan Chen; Lifang Zhao; Wang Zhang Yuan; Yongming Zhang; Ben Zhong Tang","Diethylamino functionalized tetraphenylethenes: structural and electronic modulation of photophysical properties, implication for the CIE mechanism and application to cell imaging","Journal of Materials Chemistry C","2015","3","","112","120","10.1039/C4TC02161D","","","1.54178","CuKα","","0.047","0.0403","","","0.116","0.1196","","","","","","1.047","","","","has coordinates","218538","2020-10-21","18:00:00",""
"7233956","10.47","0.003","15.697","0.004","39.879","0.011","90","","91.893","0.004","90","","6550","3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 B2 Cl2 Cu2 F8 N10 P2 -","- C63 H58 B2 Cl2 Cu2 F8 N10 P2 -","- C252 H232 B8 Cl8 Cu8 F32 N40 P8 -","4","1","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.0841","0.0592","","","0.1356","0.1495","","","","","","1.074","","","","has coordinates","218539","2020-10-21","18:00:00",""
"7233957","20.5475","0.0013","10.2304","0.0006","32.811","0.002","90","","90","","90","","6897.2","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H36 B Cu F4 N5 P -","- C35 H36 B Cu F4 N5 P -","- C280 H288 B8 Cu8 F32 N40 P8 -","8","2","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1386","0.1001","","","0.2609","0.2945","","","","","","1.072","","","","has coordinates","218540","2020-10-21","18:00:00",""
"7233958","16.775","0.006","16.685","0.006","18.348","0.007","90","","112.177","0.009","90","","4756","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 B Cu F4 N5 P -","- C43 H52 B Cu F4 N5 P -","- C172 H208 B4 Cu4 F16 N20 P4 -","4","1","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1779","0.0761","","","0.1734","0.2021","","","","","","0.932","","","","has coordinates","218541","2020-10-21","18:00:00",""
"7233959","13.96","0.04","14.57","0.02","14.67","0.02","117.544","0.019","99.86","0.03","95.08","0.03","2558","9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H44 B Cu F4 N5 P -","- C55 H44 B Cu F4 N5 P -","- C110 H88 B2 Cu2 F8 N10 P2 -","2","1","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1926","0.0964","","","0.2268","0.2854","","","","","","0.831","","","","has coordinates","218542","2020-10-21","18:00:00",""
"7233960","4.7039","0.0002","9.3029","0.0003","16.8491","0.0006","100.068","0.002","92.587","0.002","99.396","0.002","714.16","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","1","0.5","","Mina Kim; Dong Ryeol Whang; Johannes Gierschner; Soo Young Park","A distyrylbenzene based highly efficient deep red/near-infrared emitting organic solid","Journal of Materials Chemistry C","2015","3","","231","234","10.1039/C4TC01763C","","","0.71073","MoKα","","0.0656","0.0538","","","0.1601","0.1712","","","","","","1.045","","","","has coordinates","218543","2020-10-21","18:00:00",""
"7233961","17.7183","0.0015","9.8193","0.0008","13.5232","0.0012","90","","109.717","0.004","90","","2214.8","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Cl6 Si6 -","- C6 H18 Cl6 Si6 -","- C24 H72 Cl24 Si24 -","4","0.5","","Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi","Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity","Journal of Materials Chemistry C","2015","3","","239","242","10.1039/C4TC01917B","","","0.71073","MoKα","","0.0555","0.0506","","","0.1353","0.1391","","","","","","1.143","","","","has coordinates,has disorder","218544","2020-10-21","18:00:00",""
"7233962","23.3514","0.0005","23.3514","0.0005","23.3514","0.0005","90","","90","","90","","12733.2","0.5","230","2","230","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H48 O6 Si6 -","- C18 H48 O6 Si6 -","- C288 H768 O96 Si96 -","16","0.333333","","Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi","Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity","Journal of Materials Chemistry C","2015","3","","239","242","10.1039/C4TC01917B","","","0.71073","MoKα","","0.0902","0.0834","","","0.218","0.2289","","","","","","1.06","","","","has coordinates","218545","2020-10-21","18:00:00",""
"7233963","20.94","0.013","9.168","0.004","16.491","0.01","90","","114.673","0.007","90","","2877","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N2 O2 Zn -","- C12 H10 Br2 N2 O2 Zn -","- C96 H80 Br16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0848","0.0642","","","0.1662","0.18","","","","","","0.993","","","","has coordinates","218547","2020-10-21","18:00:00",""
"7233964","21.042","0.014","8.881","0.005","16.352","0.01","90","","113.67","0.009","90","","2799","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C96 H80 Cl16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0848","0.074","","","0.233","0.2459","","","","","","1.046","","","","has coordinates","218548","2020-10-21","18:00:00",""
"7233965","21.005","0.004","9.1974","0.0009","16.531","0.003","90","","114.679","0.008","90","","2901.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N2 O2 Zn -","- C12 H10 Br2 N2 O2 Zn -","- C96 H80 Br16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0789","0.052","","","0.1223","0.1327","","","","","","0.938","","","","has coordinates","218549","2020-10-21","18:00:00",""
"7233966","21.004","0.009","8.861","0.003","16.329","0.007","90","","113.747","0.006","90","","2781.8","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C96 H80 Cl16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0852","0.0733","","","0.2273","0.2416","","","","","","1.027","","","","has coordinates","218550","2020-10-21","18:00:00",""
"7233993","7.1953","0.0004","17.8923","0.0009","11.5414","0.0005","90","","103.832","0.005","90","","1442.76","0.13","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 N4 S3 -","- C16 H6 N4 S3 -","- C64 H24 N16 S12 -","4","1","","Abby Casey; Yang Han; Zhuping Fei; Andrew J. P. White; Thomas D. Anthopoulos; Martin Heeney","Cyano substituted benzothiadiazole: a novel acceptor inducing n-type behaviour in conjugated polymers","Journal of Materials Chemistry C","2015","3","","265","275","10.1039/C4TC02008A","","","0.71073","MoKα","","0.0501","0.0387","","","0.0821","0.0885","","","","","","1.066","","","","has coordinates,has disorder","218575","2020-10-21","18:00:00",""
"7233994","7.2133","0.0002","14.5623","0.0004","16.4041","0.0005","91.618","0.007","97.367","0.007","98.76","0.007","1686.96","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 S2 -","- C42 H36 N4 S2 -","- C84 H72 N8 S4 -","2","1","","Masahiro Nakano; Itaru Osaka; Kazuo Takimiya","Dibenzo[a,e]pentalene-embedded dicyanomethylene-substituted thienoquinoidals for n-channel organic semiconductors: synthesis, properties, and device characteristics","Journal of Materials Chemistry C","2015","3","","283","290","10.1039/C4TC02164A","","","1.54187","CuKα","","","0.0793","","","","0.2215","","","","","","1.054","","","","has coordinates","218576","2020-10-21","18:00:00",""
"7233995","7.7895","0.0008","11.882","0.003","17.8299","0.0006","84.474","0.009","78.079","0.004","80.66","0.02","1589.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cl3 N4 S4 -","- C30 H19 Cl2.998 N4 S4 -","- C60 H38 Cl5.996 N8 S8 -","2","1","","Francois Baert; Clement Cabanetos; Antoine Leliege; Eva Kirchner; Olivier Segut; Olivier Aleveque; Magali Allain; Gijun Seo; Sungyeop Jung; Denis Tondelier; Bernard Geffroy; Jean Roncali; Philippe Leriche; Philippe Blanchard","A bridged low band gap A-D-A quaterthiophene as efficient donor for organic solar cells","Journal of Materials Chemistry C","2015","3","","390","398","10.1039/C4TC02212B","","x-ray","0.71073","MoKα","","0.1666","0.0696","","","0.1551","0.1961","","","","","","1.039","","","","has coordinates,has disorder","218577","2020-10-21","18:00:00",""
"7233996","21.0421","0.0017","32.775","0.003","28.371","0.002","90","","91.981","0.002","90","","19555","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H222 O51 S24 Ti12 -","- C124 H24 O51 S24 Ti12 -","- C496 H96 O204 S96 Ti48 -","4","1","","Jing-Xue Yin; Peng Huo; Sheng Wang; Jing Wu; Qin-Yu Zhu; Jie Dai","A tetrathiafulvalene-grafted titanium-oxo-cluster material: self-catalyzed crystal exfoliation and photocurrent response properties","Journal of Materials Chemistry C","2015","3","","409","415","10.1039/C4TC02009J","","","0.71075","MoKα","","0.2049","0.1138","","","0.1603","0.208","","","","","","1.035","","","","has coordinates","218578","2020-10-21","18:00:00",""
"7233997","7.73","0.0015","11.04","0.002","14.68","0.003","79.75","0.03","87.94","0.03","89.29","0.03","1232","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N O -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","1","","Anil Kuwar; Rahul Patil; Amanpreet Singh; Suban K. Sahoo; Jaromir Marek; Narinder Singh","A two-in-one dual channel chemosensor for Fe3+ and Cu2+ with nanomolar detection mimicking the IMPLICATION logic gate","Journal of Materials Chemistry C","2015","3","","453","460","10.1039/C4TC02147A","","","0.71073","MoKα","","0.0814","0.073","","","0.2305","0.2338","","","","","","1.143","","","","has coordinates","218579","2020-10-21","18:00:00",""
"7233998","8.7236","0.0005","12.0048","0.0007","12.6103","0.0008","68.024","0.006","83.699","0.005","85.6","0.005","1216.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Vanadium oxide phthalocyanine","Vanadyl phthalocyanine","","- C32 H16 N8 O V -","- C32 H16 N8 O V -","- C64 H32 N16 O2 V2 -","2","1","","Alexandra J. Ramadan; Luke A. Rochford; Dean S. Keeble; Paul Sullivan; Mary P. Ryan; Tim S. Jones; Sandrine Heutz","Exploring high temperature templating in non-planar phthalocyanine/copper iodide (111) bilayers","Journal of Materials Chemistry C","2015","3","","461","465","10.1039/C4TC02116A","","x-ray","0.71073","MoKα","","0.074","0.0494","","","0.1049","0.1164","","","","","","1.045","","","","has coordinates","218580","2020-10-21","18:00:00",""
"7233999","15.136","0.003","8.9997","0.0018","20.207","0.004","90","","104.56","0.03","90","","2664.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 B N2 O2 -","- C31 H31 B N2 O2 -","- C124 H124 B4 N8 O8 -","4","1","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1461","0.0651","","","0.1333","0.1664","","","","","","1.009","","","","has coordinates","218581","2020-10-21","18:00:00",""
"7234000","10.62","0.002","10.757","0.002","18.073","0.004","79.44","0.03","88.37","0.03","76.63","0.03","1974.5","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H31 B N2 O2 -","- C31 H31 B N2 O2 -","- C93 H93 B3 N6 O6 -","3","3","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1697","0.0647","","","0.123","0.1642","","","","","","0.957","","","","has coordinates","218583","2020-10-21","18:00:00",""
"7234001","9.0631","0.0018","11.578","0.002","14.74","0.003","70.07","0.03","80.02","0.03","84.06","0.03","1430.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 B F10 N2 O2 -","- C31 H21 B F10 N2 O2 -","- C62 H42 B2 F20 N4 O4 -","2","1","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1078","0.0572","","","0.162","0.203","","","","","","0.939","","","","has coordinates","218584","2020-10-21","18:00:00",""
"7234002","16.8377","0.0013","5.6889","0.0004","15.3882","0.0011","90","","106.671","0.002","90","","1412.05","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","0.5","","Marta Reig; Joaquim Puigdollers; Dolores Velasco","Molecular order of air-stable p-type organic thin-film transistors by tuning the extension of the pi-conjugated core: the cases of indolo[3,2-b]carbazole and triindole semiconductors","Journal of Materials Chemistry C","2015","3","","506","513","10.1039/C4TC01692K","","","0.71073","MoKα","","0.0412","0.0397","","","0.1031","0.1048","","","","","","1.063","","","","has coordinates","218585","2020-10-21","18:00:00",""
"7234003","10.2279","0.0012","11.9024","0.0014","19.51","0.002","106.347","0.002","95.623","0.002","102.023","0.002","2197.8","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 N2 -","- C29 H22 N2 -","- C116 H88 N8 -","4","2","","Lin Kong; Yu-peng Tian; Qi-yu Chen; Qiong Zhang; Hui Wang; Dong-qin Tan; Zhao-ming Xue; Jie-ying Wu; Hong-ping Zhou; Jia-xiang Yang","Self-assembly of metal ion induced highly emissive fluorophore-triphenylamine nanostructures: enhanced two-photon action cross-section for bioimaging applications","Journal of Materials Chemistry C","2015","3","","570","581","10.1039/C4TC01605J","","","0.71073","MoKα","","0.0994","0.0567","","","0.1191","0.149","","","","","","1.017","","","","has coordinates","218586","2020-10-21","18:00:00",""
"7234004","6.0452","0.0005","7.701","0.0007","43.405","0.005","90","","90","","90","","2020.7","0.3","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 S4 -","- C28 H14 S4 -","- C112 H56 S16 -","4","0.5","","Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts","Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties","Journal of Materials Chemistry C","2015","3","","674","685","10.1039/C4TC02158D","","","1.5418","CuKα","","0.0856","0.0762","","","0.2156","0.2296","","","","","","1.105","","","","has coordinates","218587","2020-10-21","18:00:00",""
"7234005","11.8095","0.0007","5.8538","0.0003","7.9599","0.0005","90","","105.99","0.006","90","","528.98","0.06","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts","Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties","Journal of Materials Chemistry C","2015","3","","674","685","10.1039/C4TC02158D","","","1.5418","CuKα","","0.0467","0.0439","","","0.1191","0.1244","","","","","","1.035","","","","has coordinates","218588","2020-10-21","18:00:00",""
"7234006","14.7987","0.0006","12.0088","0.0006","20.0244","0.0011","90","","90.598","0.003","90","","3558.4","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 F8 N8 O2 -","- C40 H32 F8 N8 O2 -","- C160 H128 F32 N32 O8 -","4","0.5","","Marco Saccone; Valentina Dichiarante; Alessandra Forni; Alexis Goulet-Hanssens; Gabriella Cavallo; Jaana Vapaavuori; Giancarlo Terraneo; Christopher J. Barrett; Giuseppe Resnati; Pierangelo Metrangolo; Arri Priimagi","Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning","Journal of Materials Chemistry C","2015","3","","759","768","10.1039/C4TC02315C","","","0.71073","MoKα","","0.0645","0.0378","","","0.0876","0.0977","","","","","","1.015","","","","has coordinates,has disorder","218589","2020-10-21","18:00:00",""
"7234007","17.6158","0.0015","7.4356","0.0008","14.8281","0.0015","90","","98.184","0.003","90","","1922.5","0.3","103","2","103","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C44 H38 I2 N8 -","- C46 H38 I2 N8 -","- C92 H76 I4 N16 -","2","0.25","","Marco Saccone; Valentina Dichiarante; Alessandra Forni; Alexis Goulet-Hanssens; Gabriella Cavallo; Jaana Vapaavuori; Giancarlo Terraneo; Christopher J. Barrett; Giuseppe Resnati; Pierangelo Metrangolo; Arri Priimagi","Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning","Journal of Materials Chemistry C","2015","3","","759","768","10.1039/C4TC02315C","","","0.71073","MoKα","","0.0417","0.0351","","","0.0721","0.0753","","","","","","1.095","","","","has coordinates,has disorder","218589","2020-10-21","18:00:00",""
"7234008","6.1456","0.0006","6.1456","0.0006","10.5585","0.0011","90","","90","","120","","345.35","0.06","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al8 O16 Sr4 -","4","0.333333","","Xufan Li; John D. Budai; Feng Liu; Yu-Sheng Chen; Jane Y. Howe; Chengjun Sun; Jonathan Z. Tischler; Richard S. Meltzer; Zhengwei Pan","Crystal structures and optical properties of new quaternary strontium europium aluminate luminescent nanoribbons","Journal of Materials Chemistry C","2015","3","","778","788","10.1039/C4TC02002B","","","0.4428","","","0.0708","0.059","","","0.1724","0.1808","","","","","","1.112","","","","has coordinates","218590","2020-10-21","18:00:00",""
"7234009","6.4282","0.0018","8.584","0.002","8.968","0.003","108.015","0.01","103.788","0.01","92.762","0.01","453","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C20 H16 F2 N6 -","2","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.1285","0.0553","","","0.0998","0.1244","","","","","","1.025","","","","has coordinates","218591","2020-10-21","18:00:00",""
"7234010","7.0606","0.0004","7.0918","0.0004","10.4983","0.0006","76.075","0.003","71.33","0.003","77.999","0.003","478.45","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 Cl N3 -","- C10 H8 Cl N3 -","- C20 H16 Cl2 N6 -","2","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.045","0.0345","","","0.085","0.0897","","","","","","1.093","","","","has coordinates","218592","2020-10-21","18:00:00",""
"7234011","6.7161","0.0018","16.551","0.005","11.136","0.003","90","","92.593","0.01","90","","1236.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F2 N4 -","- C12 H12 F2 N4 -","- C48 H48 F8 N16 -","4","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.1423","0.0616","","","0.1413","0.1771","","","","","","1.012","","","","has coordinates","218593","2020-10-21","18:00:00",""
"7234012","26.6146","0.0008","14.2867","0.0003","27.576","0.0007","90","","99.038","0.003","90","","10355.2","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H49 B Cu F4 N4 O0.5 P2 -","- C58 H49 B Cu F4 N4 O0.5 P2 -","- C464 H392 B8 Cu8 F32 N32 O4 P16 -","8","2","","Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu","Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host","Journal of Materials Chemistry C","2015","3","","1187","1195","10.1039/C4TC02255F","","","1.54178","CuKα","","0.0757","0.0616","","","0.1779","0.2007","","","","","","1.022","","","","has coordinates","218594","2020-10-21","18:00:00",""
"7234013","13.5909","0.0007","22.0914","0.0009","15.8659","0.0007","90","","92.711","0.003","90","","4758.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 B Cu F4 N4 O P2 -","- C56 H42 B Cu F4 N4 O P2 -","- C224 H168 B4 Cu4 F16 N16 O4 P8 -","4","1","","Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu","Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host","Journal of Materials Chemistry C","2015","3","","1187","1195","10.1039/C4TC02255F","","","0.71073","MoKα","","0.0673","0.0568","","","0.1709","0.1827","","","","","","1.007","","","","has coordinates","218595","2020-10-21","18:00:00",""
"7234014","9.0088","0.0009","9.6445","0.0009","14.0042","0.0013","96.309","0.002","98.175","0.001","92.359","0.002","1195.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diphenyl(3-(pyren-1-yl-)phenyl)phosphine oxide","","- C34 H23 O P -","- C34 H23 O P -","- C68 H46 O2 P2 -","2","1","","Godumala Mallesham; Chidirala Swetha; Surukonti Niveditha; Maneesha Esther Mohanty; Nanubolu Jagadeesh Babu; Arunandan Kumar; Kotamarthi Bhanuprakash; Vaidya Jayathirtha Rao","Phosphine oxide functionalized pyrenes as efficient blue light emitting multifunctional materials for organic light emitting diodes","Journal of Materials Chemistry C","2015","3","","1208","1224","10.1039/C4TC01753F","","","0.71073","MoKα","","0.0376","0.035","","","0.1011","0.1043","","","","","","1.062","","","","has coordinates","218596","2020-10-21","18:00:00",""
"7234036","42.9951","0.0016","9.1135","0.0003","12.2084","0.0005","90","","106.498","0.004","90","","4586.7","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H96 N2 O3 -","- C119 H96 N2 O3 -","- C238 H192 N4 O6 -","2","0.5","","Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang","Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane","Journal of Materials Chemistry C","2015","3","","1225","1234","10.1039/C4TC02165G","","","1.54178","CuKα","","0.057","0.0556","","","0.1532","0.1552","","","","","","1.054","","","","has coordinates,has disorder","218692","2020-10-21","18:00:00",""
"7234037","9.6852","0.0014","11.1199","0.0016","21.963","0.003","93.231","0.002","95.749","0.002","112.722","0.002","2159.2","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C61 H48 -","- C61 H48 -","- C122 H96 -","2","1","","Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang","Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane","Journal of Materials Chemistry C","2015","3","","1225","1234","10.1039/C4TC02165G","","","0.71073","MoKα","","0.0779","0.0476","","","0.1237","0.1416","","","","","","1.048","","","","has coordinates,has disorder","218692","2020-10-21","18:00:00",""
"7234038","9.5948","0.0003","20.3932","0.0005","11.8402","0.0004","90","","98.68","0.003","90","","2290.22","0.12","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 B2 N2 O2 -","- C30 H20 B2 N2 O2 -","- C120 H80 B8 N8 O8 -","4","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.1099","0.0566","","","0.1089","0.1315","","","","","","1.016","","","","has coordinates","218693","2020-10-21","18:00:00",""
"7234039","10.3718","0.0006","10.6554","0.0006","11.367","0.0006","90.027","0.003","96.603","0.003","113.011","0.003","1147.19","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 B2 F2 N2 O2 -","- C30 H18 B2 F2 N2 O2 -","- C60 H36 B4 F4 N4 O4 -","2","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0906","0.0557","","","0.1328","0.1484","","","","","","1.023","","","","has coordinates,has disorder","218694","2020-10-21","18:00:00",""
"7234040","9.5314","0.0002","14.0687","0.0003","12.3085","0.0003","90","","107.299","0.003","90","","1575.84","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,6-Difluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C32 H20 B2 Cl6 F2 N2 O2 -","- C32 H20 B2 Cl6 F2 N2 O2 -","- C64 H40 B4 Cl12 F4 N4 O4 -","2","0.5","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0618","0.045","","","0.1007","0.1099","","","","","","1.035","","","","has coordinates,has disorder","218695","2020-10-21","18:00:00",""
"7234041","9.9401","0.0003","12.5613","0.0005","19.659","0.0008","90","","91.6","0.003","90","","2453.68","0.16","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,6-Dichloro-5,10-Bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C30 H18 B2 Cl2 N2 O2 -","- C30 H18 B2 Cl2 N2 O2 -","- C120 H72 B8 Cl8 N8 O8 -","4","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.1225","0.0747","","","0.1931","0.2238","","","","","","1.036","","","","has coordinates","218696","2020-10-21","18:00:00",""
"7234042","10.9289","0.0005","11.3491","0.0005","12.0394","0.0006","64.416","0.005","64.811","0.005","84.204","0.004","1212.51","0.13","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","2,3,7,8-tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C30 H16 B2 F4 N2 O2 -","- C30 H16 B2 F4 N2 O2 -","- C60 H32 B4 F8 N4 O4 -","2","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","","0.7107","MoKα","","0.0624","0.0432","","","0.1085","0.1209","","","","","","1.012","","","","has coordinates","218697","2020-10-21","18:00:00",""
"7234043","7.9127","0.0004","9.325","0.0004","9.806","0.0004","92.99","0.02","101.3","0.01","113.32","0.01","644.76","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,8-bis(8-oxyquinolinato)-4,8-Dihydro-p-diborino[2,3-b:5,6-b']dithiophene","","- C26 H16 B2 N2 O2 S2 -","- C26 H16 B2 N2 O2 S2 -","- C26 H16 B2 N2 O2 S2 -","1","0.5","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0803","0.0598","","","0.1795","0.1889","","","","","","1.122","","","","has coordinates","218698","2020-10-21","18:00:00",""
"7234044","19.3536","0.0002","12.1881","0.0002","20.5126","0.0003","90","","93.794","0.001","90","","4827.98","0.12","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-(8-oxyquinolinato)-phenoxaborin","","- C23 H16 B Cl6 N O2 -","- C23 H16 B Cl6 N O2 -","- C184 H128 B8 Cl48 N8 O16 -","8","2","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","","0.7107","MoKα","","0.0713","0.0429","","","0.1015","0.1167","","","","","","1.007","","","","has coordinates,has disorder","218699","2020-10-21","18:00:00",""
"7234045","15.9296","0.0017","8.569","0.0009","12.7261","0.0014","90","","111.355","0.001","90","","1617.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0641","0.0356","","","0.0618","0.074","","","","","","1.061","","","","has coordinates","218700","2020-10-21","18:00:00",""
"7234046","15.938","0.0018","8.5815","0.001","12.7618","0.0015","90","","111.243","0.001","90","","1626.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0723","0.0369","","","0.0659","0.0804","","","","","","1.013","","","","has coordinates","218701","2020-10-21","18:00:00",""
"7234047","15.947","0.002","8.5931","0.0011","12.7978","0.0017","90","","111.133","0.002","90","","1635.8","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0837","0.0386","","","0.0649","0.0808","","","","","","1.015","","","","has coordinates","218702","2020-10-21","18:00:00",""
"7234048","15.964","0.002","8.608","0.0011","12.8406","0.0017","90","","111.006","0.002","90","","1647.3","0.4","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0967","0.0415","","","0.0749","0.0962","","","","","","1.025","","","","has coordinates","218703","2020-10-21","18:00:00",""
"7234049","15.975","0.003","8.6198","0.0015","12.885","0.002","90","","110.882","0.002","90","","1657.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.1008","0.0429","","","0.0746","0.0927","","","","","","0.973","","","","has coordinates","218704","2020-10-21","18:00:00",""
"7234050","16.3427","0.001","8.3968","0.0005","12.8302","0.0008","90","","111.229","0.001","90","","1641.17","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0239","0.0223","","","0.064","0.0645","","","","","","1.099","","","","has coordinates","218705","2020-10-21","18:00:00",""
"7234051","16.3129","0.0011","8.4112","0.0006","12.9105","0.0009","90","","111.028","0.001","90","","1653.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0302","","","0.0787","0.0872","","","","","","1.117","","","","has coordinates,has disorder","218706","2020-10-21","18:00:00",""
"7234052","16.2671","0.0011","8.421","0.0005","13.0072","0.0008","90","","110.715","0.001","90","","1666.6","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0289","","","0.0697","0.0787","","","","","","1.136","","","","has coordinates,has disorder","218707","2020-10-21","18:00:00",""
"7234053","16.2426","0.001","8.4301","0.0005","13.0764","0.0008","90","","110.455","0.001","90","","1677.61","0.18","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0398","0.0338","","","0.0798","0.089","","","","","","1.119","","","","has coordinates,has disorder","218708","2020-10-21","18:00:00",""
"7234054","16.2397","0.0012","8.4425","0.0006","13.1293","0.0009","90","","110.276","0.001","90","","1688.5","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0506","0.0423","","","0.1062","0.1105","","","","","","1.061","","","","has coordinates,has disorder","218709","2020-10-21","18:00:00",""
"7234055","12.8965","0.0012","29.651","0.003","8.4826","0.0008","90","","90","","90","","3243.7","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0437","0.0418","","","0.0975","0.0984","","","","","","1.179","","","","has coordinates,has disorder","218710","2020-10-21","18:00:00",""
"7234056","12.8991","0.0012","29.754","0.003","8.5025","0.0008","90","","90","","90","","3263.3","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0458","0.0427","","","0.1021","0.1034","","","","","","1.174","","","","has coordinates,has disorder","218711","2020-10-21","18:00:00",""
"7234057","12.9117","0.0012","29.845","0.003","8.5178","0.0008","90","","90","","90","","3282.3","0.5","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0477","0.043","","","0.1045","0.1066","","","","","","1.14","","","","has coordinates,has disorder","218712","2020-10-21","18:00:00",""
"7234058","12.9342","0.0013","29.937","0.003","8.5325","0.0008","90","","90","","90","","3303.9","0.6","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.051","0.0446","","","0.1061","0.1089","","","","","","1.117","","","","has coordinates,has disorder","218713","2020-10-21","18:00:00",""
"7234059","12.9653","0.0013","30.028","0.003","8.5444","0.0009","90","","90","","90","","3326.5","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0548","0.0463","","","0.1108","0.1148","","","","","","1.077","","","","has coordinates,has disorder","218714","2020-10-21","18:00:00",""
"7234060","12.8852","0.0007","29.5759","0.0017","8.4161","0.0005","90","","90","","90","","3207.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0411","0.0394","","","0.1178","0.1196","","","","","","1.059","","","","has coordinates","218715","2020-10-21","18:00:00",""
"7234061","12.8917","0.0007","29.6686","0.0017","8.4335","0.0005","90","","90","","90","","3225.6","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0444","0.0422","","","0.128","0.1307","","","","","","1.071","","","","has coordinates,has disorder","218716","2020-10-21","18:00:00",""
"7234062","12.9062","0.0007","29.7595","0.0016","8.4509","0.0005","90","","90","","90","","3245.8","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0452","0.042","","","0.1258","0.1303","","","","","","1.049","","","","has coordinates,has disorder","218717","2020-10-21","18:00:00",""
"7234063","12.9262","0.0008","29.848","0.0018","8.4661","0.0005","90","","90","","90","","3266.4","0.3","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0481","0.0436","","","0.1297","0.1359","","","","","","1.042","","","","has coordinates,has disorder","218718","2020-10-21","18:00:00",""
"7234064","12.955","0.0008","29.9368","0.0018","8.4811","0.0005","90","","90","","90","","3289.2","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0523","0.0458","","","0.138","0.1461","","","","","","1.067","","","","has coordinates,has disorder","218719","2020-10-21","18:00:00",""
"7234065","16.2595","0.001","8.4332","0.0005","12.7668","0.0008","90","","109.091","0.001","90","","1654.3","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0158","0.0152","","","0.038","0.0383","","","","","","1.147","","","","has coordinates","218720","2020-10-21","18:00:00",""
"7234066","16.2944","0.001","8.4439","0.0005","12.7917","0.0008","90","","108.93","0.001","90","","1664.8","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0165","0.0155","","","0.0388","0.0396","","","","","","1.08","","","","has coordinates","218721","2020-10-21","18:00:00",""
"7234067","16.3364","0.0011","8.4593","0.0005","12.813","0.0008","90","","108.773","0.001","90","","1676.49","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0241","0.0221","","","0.0533","0.0552","","","","","","1.083","","","","has coordinates","218722","2020-10-21","18:00:00",""
"7234068","16.3793","0.0011","8.4773","0.0006","12.836","0.0009","90","","108.624","0.001","90","","1689","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0305","0.0272","","","0.0622","0.0659","","","","","","1.061","","","","has coordinates","218723","2020-10-21","18:00:00",""
"7234069","16.4227","0.0011","8.4972","0.0006","12.8688","0.0009","90","","108.493","0.001","90","","1703.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0368","0.0317","","","0.0722","0.0777","","","","","","1.054","","","","has coordinates","218724","2020-10-21","18:00:00",""
"7234070","15.9984","0.0012","8.5499","0.0006","12.4594","0.0009","90","","109.846","0.001","90","","1603","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0198","0.0197","","","0.0478","0.0479","","","","","","1.13","","","","has coordinates","218725","2020-10-21","18:00:00",""
"7234071","16.0164","0.0011","8.5758","0.0006","12.4828","0.0009","90","","109.747","0.001","90","","1613.7","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0182","0.018","","","0.0457","0.0459","","","","","","1.118","","","","has coordinates","218726","2020-10-21","18:00:00",""
"7234072","16.0283","0.0011","8.5985","0.0006","12.5042","0.0008","90","","109.62","0.001","90","","1623.27","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0177","0.0173","","","0.0445","0.0447","","","","","","1.105","","","","has coordinates","218727","2020-10-21","18:00:00",""
"7234073","16.0442","0.001","8.6241","0.0006","12.5341","0.0008","90","","109.452","0.001","90","","1635.31","0.19","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0183","0.0175","","","0.0453","0.0457","","","","","","1.074","","","","has coordinates","218728","2020-10-21","18:00:00",""
"7234074","16.0579","0.0012","8.6445","0.0006","12.5766","0.0009","90","","109.254","0.001","90","","1648.1","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0215","0.0203","","","0.052","0.0528","","","","","","1.034","","","","has coordinates","218729","2020-10-21","18:00:00",""
"7234075","16.075","0.002","8.5801","0.0011","13.2856","0.0017","90","","114.772","0.001","90","","1663.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0302","0.0298","","","0.0839","0.084","","","","","","1.31","","","","has coordinates","218730","2020-10-21","18:00:00",""
"7234076","16.0598","0.0018","8.5797","0.001","13.2802","0.0015","90","","114.516","0.001","90","","1664.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0363","0.0358","","","0.0969","0.0971","","","","","","1.307","","","","has coordinates","218731","2020-10-21","18:00:00",""
"7234077","16.0681","0.0018","8.5852","0.001","13.307","0.0015","90","","114.2","0.001","90","","1674.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0383","0.0376","","","0.0989","0.0992","","","","","","1.223","","","","has coordinates","218732","2020-10-21","18:00:00",""
"7234078","16.082","0.002","8.5906","0.0011","13.3532","0.0018","90","","113.794","0.001","90","","1688","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0298","0.0277","","","0.0737","0.0748","","","","","","1.193","","","","has coordinates,has disorder","218733","2020-10-21","18:00:00",""
"7234079","16.08","0.002","8.5837","0.0011","13.3946","0.0017","90","","113.349","0.001","90","","1697.4","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0304","0.0275","","","0.0702","0.0724","","","","","","1.109","","","","has coordinates,has disorder","218734","2020-10-21","18:00:00",""
"7234080","11.3178","0.001","21.3745","0.0018","21.9731","0.0018","70.045","0.004","76.206","0.005","88.942","0.005","4840.8","0.7","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H63 N3 O6 -","- C57 H63 N3 O6 -","- C228 H252 N12 O24 -","4","2","","Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan","Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies","Journal of Materials Chemistry C","2015","3","","1537","1545","10.1039/C4TC02602K","","","0.71073","MoKα","","0.0855","0.052","","","0.1239","0.1429","","","","","","1.013","","","","has coordinates,has disorder","218735","2020-10-21","18:00:00",""
"7234081","12.4651","0.0011","14.1037","0.0012","24.879","0.002","90","","98.502","0.002","90","","4325.8","0.6","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 N9 O6 -","- C48 H51 N9 O6 -","- C192 H204 N36 O24 -","4","1","","Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan","Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies","Journal of Materials Chemistry C","2015","3","","1537","1545","10.1039/C4TC02602K","","","0.71073","MoKα","","0.0575","0.0414","","","0.1058","0.1171","","","","","","1.032","","","","has coordinates","218735","2020-10-21","18:00:00",""
"7234082","4.557","0.0005","18.5706","0.0018","18.986","0.003","90","","90","","90","","1606.7","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","BNQ-Me","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0859","","","","0.1917","","","","","","1.089","","","","has coordinates","218738","2020-10-21","18:00:00",""
"7234083","12.2447","0.0003","4.98276","0.00009","15.1193","0.0003","90","","93.2547","0.001","90","","920.98","0.03","270","","270","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BNQ-Et","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","0.5","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0638","","","","0.1527","","","","","","1.012","","","","has coordinates","218739","2020-10-21","18:00:00",""
"7234084","29.3578","0.0007","4.3053","0.00012","18.6433","0.0005","90","","118.437","0.0013","90","","2072.08","0.1","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BNQ-iPr","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","0.5","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0413","","","","0.0904","","","","","","1.024","","","","has coordinates","218740","2020-10-21","18:00:00",""
"7234085","23.0134","0.0005","16.386","0.0003","15.4408","0.0003","90","","119.532","0.0009","90","","5066.2","0.18","272","","272","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BNQ-Cy","","","- C32 H32 O4 -","- C32 H32 O4 -","- C256 H256 O32 -","8","1","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0419","","","","0.102","","","","","","1.24","","","","has coordinates","218741","2020-10-21","18:00:00",""
"7234086","7.5919","0.0018","13.551","0.003","18.32","0.004","89.808","0.006","87.902","0.006","81.114","0.006","1860.8","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C80 H104 N8 Si4 -","2","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.099","0.0649","","","0.153","0.1716","","","","","","1.011","","","","has coordinates,has disorder","218743","2020-10-21","18:00:00",""
"7234087","33.88","0.006","15.837","0.003","14.074","0.002","90","","100.068","0.004","90","","7435","2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N4 Si2 -","- C40 H50 N4 Si2 -","- C320 H400 N32 Si16 -","8","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1183","0.0785","","","0.167","0.189","","","","","","1.133","","","","has coordinates,has disorder","218744","2020-10-21","18:00:00",""
"7234088","18.845","0.002","13.5519","0.0013","16.4737","0.0018","90","","107.673","0.003","90","","4008.6","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DHTA-F2 from solution (room temperature)","","","- C40 H50 F2 N4 Si2 -","- C40 H50 F2 N4 Si2 -","- C160 H200 F8 N16 Si8 -","4","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1598","0.0839","","","0.258","0.3194","","","","","","1.031","","","","has coordinates,has disorder","218745","2020-10-21","18:00:00",""
"7234089","7.7626","0.0009","29.864","0.004","34.922","0.005","90","","95.412","0.003","90","","8059.6","1.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DHTA-H2 from film","","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C320 H416 N32 Si16 -","8","2","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.2405","0.1533","","","0.3734","0.405","","","","","","2.057","","","","has coordinates","218746","2020-10-21","18:00:00",""
"7234090","16.4266","0.0017","39.893","0.004","36.045","0.004","90","","99.223","0.003","90","","23315","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DHTA-F2 from solution (200 K)","","","- C40 H50 F2 N4 Si2 -","- C40 H50 F2 N4 Si2 -","- C960 H1200 F48 N96 Si48 -","24","6","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1768","0.0817","","","0.178","0.2357","","","","","","1.009","","","","has coordinates","218747","2020-10-21","18:00:00",""
"7234091","9.928","0.0016","17.328","0.004","11.79","0.003","90","","95.749","0.016","90","","2018.1","0.8","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O2 Pt -","- C25 H22 N2 O2 Pt -","- C100 H88 N8 O8 Pt4 -","4","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0973","0.0442","","","0.108","0.1289","","","","","","1.245","","","","has coordinates","218757","2020-10-21","18:00:00",""
"7234092","12.228","0.003","13.642","0.003","16.074","0.0016","90","","98.842","0.015","90","","2649.5","0.9","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O2 Pt -","- C30 H32 N2 O2 Pt -","- C120 H128 N8 O8 Pt4 -","4","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0417","0.0234","","","0.0378","0.0427","","","","","","1.111","","","","has coordinates","218758","2020-10-21","18:00:00",""
"7234093","40.894","0.006","40.894","0.006","9.173","0.0018","90","","90","","120","","13285","4","198","","198","","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- C34 H24 N2 O2 Pt -","- C34 H24 N2 O2 Pt -","- C612 H432 N36 O36 Pt18 -","18","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0372","0.0285","","","0.0653","0.0678","","","","","","1.144","","","","has coordinates","218759","2020-10-21","18:00:00",""
"7234094","12.079","0.0015","12.265","0.001","13.031","0.0012","71.096","0.005","89.24","0.009","66.502","0.008","1659.9","0.3","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H36 N2 O2 Pt -","- C40 H36 N2 O2 Pt -","- C80 H72 N4 O4 Pt2 -","2","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0414","0.0266","","","0.0457","0.0487","","","","","","1.026","","","","has coordinates","218760","2020-10-21","18:00:00",""
"7234095","10.545","0.003","13.434","0.002","25.06","0.0019","104.184","0.012","91.124","0.011","90.253","0.015","3441","1.1","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C41 H38 N2 O2 Pt -","- C41 H38 N2 O2 Pt -","- C164 H152 N8 O8 Pt4 -","4","2","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.1509","0.0557","","","0.1235","0.1613","","","","","","1.21","","","","has coordinates","218761","2020-10-21","18:00:00",""
"7234096","26.117","0.005","18.276","0.004","7.8689","0.0016","90","","103.67","0.03","90","","3649.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H30 Eu N3 O14 -","- C43 H30 Eu N3 O14 -","- C172 H120 Eu4 N12 O56 -","4","0.5","","Junqing Zhang; Hongfeng Li; Peng Chen; Wenbin Sun; Ting Gao; Pengfei Yan","A new strategy for achieving white-light emission of lanthanide complexes: effective control of energy transfer from blue-emissive fluorophore to Eu(iii) centres","Journal of Materials Chemistry C","2015","3","","1799","1806","10.1039/C4TC02512A","","","0.71073","MoKα","","0.0457","0.0347","","","0.0704","0.076","","","","","","1.078","","","","has coordinates,has disorder","288257","2023-12-12","15:56:44",""
"7234097","8.0747","0.0002","18.65","0.0007","26.4469","0.001","90","","94.391","0.003","90","","3971","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu N3 O14 -","- C45 H34 Eu N3 O14 -","- C180 H136 Eu4 N12 O56 -","4","1","","Junqing Zhang; Hongfeng Li; Peng Chen; Wenbin Sun; Ting Gao; Pengfei Yan","A new strategy for achieving white-light emission of lanthanide complexes: effective control of energy transfer from blue-emissive fluorophore to Eu(iii) centres","Journal of Materials Chemistry C","2015","3","","1799","1806","10.1039/C4TC02512A","","","0.71073","MoKα","","0.1274","0.0925","","","0.2521","0.2979","","","","","","1.094","","","","has coordinates","288257","2023-12-12","15:56:44",""
"7234098","52.788","0.0017","12.4054","0.0003","25.0467","0.0008","90","","113.292","0.004","90","","15065.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H69 Eu O8 P2 -","- C94 H69 Eu O8 P2 -","- C752 H552 Eu8 O64 P16 -","8","1","","Hui Xu; Jianzhe Wang; Ying Wei; Guohua Xie; Qin Xue; Zhaopeng Deng; Wei Huang","A unique white electroluminescent one-dimensional europium(iii) coordination polymer","Journal of Materials Chemistry C","2015","3","","1893","1903","10.1039/C4TC02604G","","","0.71073","MoKα","","0.062","0.0367","","","0.0771","0.0853","","","","","","1.056","","","","has coordinates","218763","2020-10-21","18:00:00",""
"7234099","7.056","0.002","7.855","0.0019","14.793","0.005","71.82","0.05","76.48","0.04","73.25","0.04","736.5","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","C4BTBT-F2TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane","","- C34 H26 F2 N4 S2 -","- C34 H26 F2 N4 S2 -","- C34 H26 F2 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.079","","","","0.1111","","","","","","1.458","","","","has coordinates","218765","2020-10-21","18:00:00",""
"7234100","7.0124","0.0005","8.1017","0.0005","14.6513","0.0014","72.11","0.013","75.808","0.013","72.519","0.013","744.75","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","C4BTBT-F4TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane","","- C34 H24 F4 N4 S2 -","- C34 H24 F4 N4 S2 -","- C34 H24 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0702","","","","0.1069","","","","","","1.872","","","","has coordinates","218767","2020-10-21","18:00:00",""
"7234101","7.1052","0.001","7.7229","0.0008","15.021","0.0018","70.97","0.014","76.944","0.016","74.031","0.015","740.67","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","C4BTBT-TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-tetracyanoquinodimethane","","- C34 H28 N4 S2 -","- C34 H28 N4 S2 -","- C34 H28 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0695","","","","0.2083","","","","","","1.042","","","","has coordinates","218768","2020-10-21","18:00:00",""
"7234102","7.1554","0.0007","7.8669","0.0011","17.71","0.003","86.35","0.011","81.334","0.01","72.909","0.009","941.8","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","C8BTBT-F2TCNQ","","- C42 H42 F2 N4 S2 -","- C42 H40 F2 N4 S2 -","- C42 H40 F2 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0637","","","","0.1574","","","","","","0.994","","","","has coordinates","218769","2020-10-21","18:00:00",""
"7234103","7.103","0.0005","8.0777","0.0008","17.592","0.002","85.9","0.009","82.02","0.008","72.443","0.008","952.55","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","C8BTBT-F4TCNQ","","- C42 H40 F4 N4 S2 -","- C42 H40 F4 N4 S2 -","- C42 H40 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0522","","","","0.1065","","","","","","1.002","","","","has coordinates","218770","2020-10-21","18:00:00",""
"7234104","7.1829","0.0007","7.7361","0.0009","17.946","0.002","86.554","0.009","80.529","0.009","73.518","0.007","943.11","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","C8BTBT-TCNQ","2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-tetracyanoquinodimethane","","- C42 H44 N4 S2 -","- C42 H44 N4 S2 -","- C42 H44 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0631","","","","0.1948","","","","","","1.036","","","","has coordinates","218771","2020-10-21","18:00:00",""
"7234105","7.1561","0.0017","7.8468","0.0017","21.207","0.007","82.91","0.02","87.73","0.02","72.833","0.019","1129.1","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","C12BTBT-F2TCNQ","","- C50 H58 F2 N4 S2 -","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.1043","","","","0.1548","","","","","","1.752","","","","has coordinates","218772","2020-10-21","18:00:00",""
"7234106","7.096","0.002","8.053","0.002","21.148","0.007","83.2","0.03","86.85","0.03","72.5","0.03","1144.2","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","C12BTBT-F4TCNQ","","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0917","","","","0.1695","","","","","","1.479","","","","has coordinates","218773","2020-10-21","18:00:00",""
"7234107","7.2075","0.0009","7.7416","0.0009","21.258","0.003","82.579","0.009","88.358","0.01","73.252","0.007","1126.3","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","C12BTBT-TCNQ","","- C50 H60 N4 S2 -","- C50 H60 N4 S2 -","- C50 H60 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0647","","","","0.1798","","","","","","1.046","","","","has coordinates","218774","2020-10-21","18:00:00",""
"7234108","10.4904","0.0016","15.644","0.002","18.204","0.003","90.239","0.002","90.327","0.002","95.162","0.002","2975.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Cl2 N4 O2 Zn -","- C66 H60 Cl2 N4 O2 Zn -","- C132 H120 Cl4 N8 O4 Zn2 -","2","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.1141","0.0722","","","0.1642","0.1945","","","","","","1.138","","","","has coordinates,has disorder","218775","2020-10-21","18:00:00",""
"7234109","10.454","0.0019","15.812","0.003","18.477","0.003","90.856","0.002","91.575","0.002","96.166","0.002","3034.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Br2 Cu N4 O2 -","- C66 H60 Br2 Cu N4 O2 -","- C132 H120 Br4 Cu2 N8 O4 -","2","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.095","0.0502","","","0.1353","0.1555","","","","","","0.879","","","","has coordinates,has disorder","218776","2020-10-21","18:00:00",""
"7234110","11.001","0.005","12.498","0.005","19.746","0.005","90","0.005","94.205","0.005","90","0.005","2707.6","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33.75 H33 N3 O -","- C35 H33 N3 O -","- C140 H132 N12 O4 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71069","MoKα","","0.1153","0.0739","","","0.2227","0.2542","","","","","","1.54","","","","has coordinates","218777","2020-10-21","18:00:00",""
"7234111","24.405","0.018","7.319","0.005","11.824","0.009","90","","101.249","0.009","90","","2071","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","287154","2023-10-27","23:48:05",""
"7234112","13.74","0.005","12.487","0.005","15.071","0.006","90","","100.349","0.005","90","","2543.7","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C132 H120 N8 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.0795","0.05","","","0.1498","0.1742","","","","","","1.113","","","","has coordinates","218779","2020-10-21","18:00:00",""
"7234113","11.9877","0.0003","12.8636","0.0005","15.9294","0.0006","86.856","0.003","73.942","0.003","83.926","0.003","2346.46","0.14","100","0.18","100","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 O9 Pr -","- C54 H48 N3 O9 Pr -","- C108 H96 N6 O18 Pr2 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.052","","","","has coordinates","218780","2020-10-21","18:00:00",""
"7234114","11.973","0.0002","12.8879","0.0005","15.9094","0.0006","87.03","0.007","73.854","0.006","83.803","0.007","2343.71","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 Nd O9 -","- C54 H48 N3 Nd O9 -","- C108 H96 N6 Nd2 O18 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","0.71073","MoKα","","0.0487","0.0437","","","0.1121","0.1169","","","","","","1.116","","","","has coordinates","218781","2020-10-21","18:00:00",""
"7234115","11.9586","0.0003","12.8019","0.0004","15.9246","0.0005","87.217","0.003","74.158","0.002","83.99","0.002","2331.94","0.12","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 O9 Sm -","- C54 H48 N3 O9 Sm -","- C108 H96 N6 O18 Sm2 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.0406","0.0341","","","0.0866","0.0905","","","","","","1.063","","","","has coordinates","218782","2020-10-21","18:00:00",""
"7234116","11.9567","0.0005","12.856","0.0005","15.8977","0.0006","87.548","0.003","74.215","0.004","83.653","0.003","2336.95","0.17","100","0.15","100","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Eu N3 O9 -","- C54 H48 Eu N3 O9 -","- C108 H96 Eu2 N6 O18 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.056","0.0504","","","0.1374","0.1406","","","","","","1.109","","","","has coordinates","218783","2020-10-21","18:00:00",""
"7234117","11.618","0.003","12.524","0.003","12.655","0.003","89.994","0.013","83.387","0.015","66.227","0.013","1671.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 F6 N2 O4 Pt2 -","- C34 H28 F6 N2 O4 Pt2 -","- C68 H56 F12 N4 O8 Pt4 -","2","1","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.0985","0.0489","","","0.1077","0.1269","","","","","","0.925","","","","has coordinates","218784","2020-10-21","18:00:00",""
"7234118","23.2937","0.001","11.9955","0.0005","13.1606","0.0005","90","","100.226","0.002","90","","3618.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F6 N2 O6 Pt2 -","- C36 H32 F6 N2 O6 Pt2 -","- C144 H128 F24 N8 O24 Pt8 -","4","1","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.0416","0.0299","","","0.0916","0.0998","","","","","","0.745","","","","has coordinates","218784","2020-10-21","18:00:00",""
"7234119","11.702","0.0006","12.4402","0.0007","12.7534","0.0007","89.883","0.003","82.15","0.003","65.05","0.003","1664.35","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 F8 N2 O4 Pt2 -","- C34 H26 F8 N2 O4 Pt2 -","- C68 H52 F16 N4 O8 Pt4 -","2","1","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.041","0.0342","","","0.0885","0.0913","","","","","","1.059","","","","has coordinates","218784","2020-10-21","18:00:00",""
"7234120","31.521","0.003","31.521","0.003","7.118","0.002","90","","90","","120","","6124.8","1.9","291","2","291","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C68 H82 Cl2 N6 O7 Pt2 -","- C68 H82 Cl2 N6 O7 Pt2 -","- C204 H246 Cl6 N18 O21 Pt6 -","3","0.5","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.069","0.0632","","","0.1725","0.1741","","","","","","1.048","","","","has coordinates","218785","2020-10-21","18:00:00",""
"7234121","9.895","0.002","11.075","0.002","15.169","0.003","71.726","0.003","83.896","0.004","85.526","0.004","1567.8","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H59 F6 N6 O6 Pt2 S2 -","- C66 H59 F6 N6 O6 Pt2 S2 -","- C66 H59 F6 N6 O6 Pt2 S2 -","1","1","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.0755","0.0645","","","0.1658","0.1734","","","","","","1.054","","","","has coordinates","218785","2020-10-21","18:00:00",""
"7234122","17.1066","0.0013","9.3515","0.0007","21.8195","0.0016","90","","107.637","0.001","90","","3326.4","0.4","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C52 B6 Co F3 N7 O2 -","- C52 B6 Co F3 N7 O2 -","- C208 B24 Co4 F12 N28 O8 -","4","1","","Norbani Abdullah; Nur Linahafizza Md Noor; Abdul Rahman Nordin; Malcolm A. Halcrow; Douglas R. MacFarlane; Manoj A. Lazar; Jennifer M. Pringle; Duncan W. Bruce; Bertrand Donnio; Benoit Heinrich","Spin-crossover, mesomorphic and thermoelectrical properties of cobalt(ii) complexes with alkylated N3-Schiff bases","Journal of Materials Chemistry C","2015","3","","2491","2499","10.1039/C4TC02923B","","","0.71073","MoKα","","0.3321","0.2929","","","0.6757","0.6942","","","","","","5.398","","","","has coordinates","218809","2020-10-21","18:00:00",""
"7234123","14.3538","0.001","7.6478","0.0005","18.9808","0.0013","90","","101.661","0.001","90","","2040.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 Pt -","- C26 H21 N O2 Pt -","- C104 H84 N4 O8 Pt4 -","4","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0433","0.028","","","0.0547","0.0591","","","","","","1.013","","","","has coordinates","218810","2020-10-21","18:00:00",""
"7234124","12.5676","0.0008","29.5883","0.0019","13.6576","0.0009","90","","99.092","0.001","90","","5014.8","0.6","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H66 Cl2 N2 O2 Pt -","- C57 H66 Cl2 N2 O2 Pt -","- C228 H264 Cl8 N8 O8 Pt4 -","4","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0798","0.0565","","","0.1615","0.1742","","","","","","1","","","","has coordinates","218810","2020-10-21","18:00:00",""
"7234125","10.1108","0.0004","10.6323","0.0004","20.9287","0.0008","94.021","0.001","99.317","0.001","97.348","0.001","2192.44","0.15","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 N2 O2 Pt -","- C52 H56 N2 O2 Pt -","- C104 H112 N4 O4 Pt2 -","2","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0291","0.0252","","","0.0622","0.0642","","","","","","1.077","","","","has coordinates,has disorder","218810","2020-10-21","18:00:00",""
"7234126","9.8704","0.001","9.8969","0.0012","15.68","0.0012","90.723","0.008","104.683","0.008","116.975","0.011","1306","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 N2 S -","- C35 H26 N2 S -","- C70 H52 N4 S2 -","2","1","","Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu","Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation","Journal of Materials Chemistry C","2015","3","","2925","2932","10.1039/C4TC02925A","","","0.71073","MoKα","","0.0621","0.0447","","","0.1064","0.1172","","","","","","1.02","","","","has coordinates","218811","2020-10-21","18:00:00",""
"7234127","14.1216","0.0006","9.9608","0.0006","19.0308","0.0008","90","","107.315","0.004","90","","2555.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 N2 S -","- C33 H22 N2 S -","- C132 H88 N8 S4 -","4","1","","Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu","Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation","Journal of Materials Chemistry C","2015","3","","2925","2932","10.1039/C4TC02925A","","","0.71073","MoKα","","0.1226","0.0598","","","0.129","0.1597","","","","","","0.977","","","","has coordinates","218811","2020-10-21","18:00:00",""
"7234128","9.1766","0.0009","9.249","0.001","11.8304","0.0013","109.989","0.01","96.898","0.009","99.154","0.009","914.97","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S -","- C21 H15 B F2 N2 S -","- C42 H30 B2 F4 N4 S2 -","2","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.0711","0.0443","","","0.0883","0.1113","","","","","","1.077","","","","has coordinates","218812","2020-10-21","18:00:00",""
"7234129","11.3993","0.001","12.7664","0.0009","15.0074","0.0017","90","","117.22","0.007","90","","1942.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F2 N2 S -","- C23 H19 B F2 N2 S -","- C92 H76 B4 F8 N8 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1042","0.052","","","0.1005","0.1249","","","","","","1.025","","","","has coordinates","218813","2020-10-21","18:00:00",""
"7234130","15.8955","0.0003","9.83109","0.00015","26.4038","0.0006","90","","90","","90","","4126.12","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 B F2 N3 S -","- C23 H20 B F2 N3 S -","- C184 H160 B8 F16 N24 S8 -","8","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","1.54184","CuKα","","0.0494","0.0407","","","0.1","0.1076","","","","","","1.023","","","","has coordinates","218814","2020-10-21","18:00:00",""
"7234131","12.1191","0.0013","14.1236","0.0014","11.9134","0.0011","90","","100.907","0.002","90","","2002.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O0 S -","- C23 H20 B F2 N3 S -","- C92 H80 B4 F8 N12 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1039","0.048","","","0.1108","0.1341","","","","","","0.948","","","","has coordinates","218815","2020-10-21","18:00:00",""
"7234132","13.0949","0.0009","12.1529","0.0006","14.5043","0.0009","90","","104.475","0.007","90","","2235","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B F2 N3 S -","- C25 H24 B F2 N3 S -","- C100 H96 B4 F8 N12 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1221","0.0542","","","0.101","0.1351","","","","","","1.022","","","","has coordinates","218816","2020-10-21","18:00:00",""
"7234133","20.6963","0.0013","8.5511","0.0006","27.318","0.002","90","","106.475","0.007","90","","4636.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 B F2 N4 S -","- C25 H25 B F2 N4 S -","- C200 H200 B8 F16 N32 S8 -","8","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1063","0.053","","","0.1005","0.1252","","","","","","1.016","","","","has coordinates","218817","2020-10-21","18:00:00",""
"7234134","41.229","0.007","6.9435","0.0011","18.06","0.003","90","","104.645","0.003","90","","5002.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Br2 F18 N2 O4 -","- C20 H4 Br2 F18 N2 O4 -","- C160 H32 Br16 F144 N16 O32 -","8","1","","Ming-Ling Yeh; Szu-Ying Wang; Josue F. Martinez Hardigree; Vitaly Podzorov; Howard E. Katz","Effect of side chain length on film structure and electron mobility of core-unsubstituted pyromellitic diimides and enhanced mobility of the dibrominated core using the optimized side chain","Journal of Materials Chemistry C","2015","3","","3029","3037","10.1039/C4TC02611J","","","0.71073","MoKα","","0.102","0.0562","","","0.1189","0.1376","","","","","","1.009","","","","has coordinates,has disorder","218818","2020-10-21","18:00:00",""
"7234135","11.0759","0.0007","29.6119","0.0013","7.7409","0.0004","90","","122.9","0.005","90","","2131.7","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N O -","- C28 H21 N O -","- C112 H84 N4 O4 -","4","1","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","0.71073","MoKα","","0.0578","0.0379","","","0.0703","0.0771","","","","","","1.024","","","","has coordinates","218819","2020-10-21","18:00:00",""
"7234136","10.034","0.0003","10.13","0.0003","23.553","0.0006","77.824","0.002","84.358","0.002","65.81","0.003","2134.5","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N O -","- C28 H21 N O -","- C112 H84 N4 O4 -","4","2","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","0.71073","MoKα","","0.053","0.0482","","","0.1305","0.1352","","","","","","1.021","","","","has coordinates","218819","2020-10-21","18:00:00",""
"7234137","9.9696","0.0001","43.1553","0.0003","10.0811","0.0001","90","","98.764","0.001","90","","4286.66","0.07","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O -","- C28 H21 N O -","- C224 H168 N8 O8 -","8","2","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","1.54178","CuKα","","0.0453","0.0432","","","0.1294","0.1322","","","","","","0.999","","","","has coordinates","218819","2020-10-21","18:00:00",""
"7234138","12.2686","0.0009","12.647","0.0009","31.172","0.002","90","","90","","90","","4836.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Br Cl2 N -","- C29 H24 Br Cl2 N -","- C232 H192 Br8 Cl16 N8 -","8","1","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0888","0.0657","","","0.1501","0.1609","","","","","","1.06","","","","has coordinates","218820","2020-10-21","18:00:00",""
"7234139","11.1157","0.0003","16.9988","0.0004","11.1207","0.0003","90","","90.112","0.001","90","","2101.29","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H22 Br N -","- C28 H22 Br N -","- C112 H88 Br4 N4 -","4","2","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0511","0.0414","","","0.1233","0.1546","","","","","","1.084","","","","has coordinates","218820","2020-10-21","18:00:00",""
"7234140","8.6674","0.0004","11.9882","0.0005","28.3475","0.0012","90","","98.2998","0.0011","90","","2914.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 F8 Ir N5 O -","- C33 H20 F8 Ir N5 O -","- C132 H80 F32 Ir4 N20 O4 -","4","1","","Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs","Journal of Materials Chemistry C","2015","3","","3460","3471","10.1039/C5TC00163C","","","0.71073","MoKα","","0.0938","0.0601","","","0.1052","0.1156","","","","","","1.181","","","","has coordinates,has disorder","218821","2020-10-21","18:00:00",""
"7234141","18.53","0.0003","12.8977","0.0002","20.1368","0.0004","90","","112.778","0.0009","90","","4437.26","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H31.5 Cl4.5 F6 Ir N5 -","- C45.5 H31.5 Cl4.5 F6 Ir N5 -","- C182 H126 Cl18 F24 Ir4 N20 -","4","1","","Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs","Journal of Materials Chemistry C","2015","3","","3460","3471","10.1039/C5TC00163C","","","0.71073","MoKα","","0.0727","0.0446","","","0.1207","0.1353","","","","","","1.069","","","","has coordinates,has disorder","218821","2020-10-21","18:00:00",""
"7234142","18.0718","0.0006","7.8465","0.0003","9.9048","0.0003","90","","90","","90","","1404.5","0.08","128.55","0.1","128.55","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H2 Mn1.5 Na O8 S1.5 -","- H2 Mn1.5 Na O8 S1.5 -","- H16 Mn12 Na8 O64 S12 -","8","1","","Huan-Cheng Hu; Chun-Shuai Cao; Yang Yang; Peng Cheng; Bin Zhao","A triangular [Mn3] cluster-based ferrimagnet with significant magnetic entropy change","Journal of Materials Chemistry C","2015","3","","3494","3499","10.1039/C4TC02958E","","","0.71073","MoKα","","0.0348","0.0334","","","0.084","0.0858","","","","","","1.082","","","","has coordinates","218824","2020-10-21","18:00:00",""
"7234143","5.0632","0.0016","15.0923","0.0017","8.2579","0.0012","90","","104.839","0.003","90","","610","0.2","291","2","291","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 F6 N2 -","- C12 H6 F6 N2 -","- C24 H12 F12 N4 -","2","0.5","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0711","0.0468","","","0.1002","0.1019","","","","","","1.049","","","","has coordinates,has disorder","218828","2020-10-21","18:00:00",""
"7234144","15.798","0.002","18.067","0.002","18.657","0.003","83.329","0.002","87.048","0.003","85.597","0.002","5268.6","1.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 F12 Ir N5 O2 P2 -","- C48 H30 F12 Ir N5 O2 P2 -","- C192 H120 F48 Ir4 N20 O8 P8 -","4","2","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0631","0.0598","","","0.1524","0.1526","","","","","","1.024","","","","has coordinates","218828","2020-10-21","18:00:00",""
"7234145","13.6205","0.001","23.0074","0.0017","16.9123","0.0013","90","","98.869","0.001","90","","5236.5","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 F12 Ir N5 O2 P2 -","- C48 H30 F12 Ir N5 O2 P2 -","- C192 H120 F48 Ir4 N20 O8 P8 -","4","1","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0864","0.0545","","","0.1615","0.184","","","","","","1.116","","","","has coordinates","218828","2020-10-21","18:00:00",""
"7234146","7.156","0.0014","13.963","0.003","14.249","0.003","90","","93.52","0.03","90","","1421.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F2 N3 -","- C18 H12 B F2 N3 -","- C72 H48 B4 F8 N12 -","4","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","0.71073","MoKα","","0.0631","0.0474","","","0.1453","0.1585","","","","","","1.003","","","","has coordinates","218832","2020-10-21","18:00:00",""
"7234147","8.2448","0.0013","13.187","0.002","19.061","0.003","100.053","0.014","95.703","0.013","95.546","0.012","2016.7","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 B F2 N5 S2 -","- C42 H26 B F2 N5 S2 -","- C84 H52 B2 F4 N10 S4 -","2","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","","","","0.169","","","","","","","","","","","","","","","has coordinates","218832","2020-10-21","18:00:00",""
"7234148","22.4457","0.0017","11.3035","0.0007","20.0181","0.0014","90","","92.623","0.005","90","","5073.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 B F2 N5 -","- C58 H58 B F2 N5 -","- C232 H232 B4 F8 N20 -","4","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","1.54178","CuKα","","0.1661","0.1316","","","0.2674","0.28","","","","","","1.191","","","","has coordinates","218832","2020-10-21","18:00:00",""
"7234180","12.5072","0.0017","13.89","0.002","15.223","0.002","87.986","0.007","75.655","0.005","71.874","0.005","2432.5","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 N5 O4 S Si -","- C49 H63 N5 O4 S Si -","- C98 H126 N10 O8 S2 Si2 -","2","1","","Yuhui Yang; Jialei Liu; Maolin Zhang; Fenggang Liu; Haoran Wang; Shuhui Bo; Zhen Zhen; Ling Qiu; Xinhou Liu","The important role of the location of the alkoxy group on the thiophene ring in designing efficient organic nonlinear optical materials based on double-donor chromophores","Journal of Materials Chemistry C","2015","3","","3913","3921","10.1039/C5TC00241A","","","0.71073","MoKα","","0.066","0.0545","","","0.1268","0.1358","","","","","","1","","","","has coordinates","218868","2020-10-21","18:00:00",""
"7234181","6.2311","0.0013","27.413","0.006","26.198","0.006","90","","94.09","0.004","90","","4463.6","1.7","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 N5 O3 S Si -","- C46 H57 N5 O3 S Si -","- C184 H228 N20 O12 S4 Si4 -","4","1","","Yuhui Yang; Jialei Liu; Maolin Zhang; Fenggang Liu; Haoran Wang; Shuhui Bo; Zhen Zhen; Ling Qiu; Xinhou Liu","The important role of the location of the alkoxy group on the thiophene ring in designing efficient organic nonlinear optical materials based on double-donor chromophores","Journal of Materials Chemistry C","2015","3","","3913","3921","10.1039/C5TC00241A","","","0.71073","MoKα","","0.0792","0.0598","","","0.1271","0.1376","","","","","","0.999","","","","has coordinates","218868","2020-10-21","18:00:00",""
"7234182","8.2621","0.0017","8.9309","0.0018","21.084","0.004","81.69","0.03","85.17","0.03","82.15","0.03","1521.7","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","1","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.1278","0.0591","","","0.1381","0.1698","","","","","","0.964","","","","has coordinates","218869","2020-10-21","18:00:00",""
"7234183","21.598","0.003","10.1507","0.0006","22.926","0.003","90","","115.388","0.018","90","","4540.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N2 O4 -","- C52 H60 N2 O4 -","- C208 H240 N8 O16 -","4","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.2474","0.1113","","","0.3136","0.4182","","","","","","1.032","","","","has coordinates,has disorder","218869","2020-10-21","18:00:00",""
"7234184","18.0254","0.0006","9.4485","0.0003","18.8799","0.0009","90","","90","","90","","3215.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","0.5","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.0802","0.0533","","","0.1101","0.1227","","","","","","1.042","","","","has coordinates","218869","2020-10-21","18:00:00",""
"7234185","27.50091","0.00071","4.53269","0.00012","20.80317","0.00047","90","","104.935","0.0017","90","","2505.58","0.11","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","gold(I)-thiophenolate","[Au(SPh)]n","","- C12 H10 Au2 S2 -","- C12 H10 Au2 S2 -","- C96 H80 Au16 S16 -","8","1","","Christophe Lavenn; Larysa Okhrimenko; Nathalie Guillou; Miguel Monge; Gilles Ledoux; Christophe Dujardin; Rodica Chiriac; Alexandra Fateeva; Aude Demessence","A luminescent double helical gold(i)-thiophenolate coordination polymer obtained by hydrothermal synthesis or by thermal solid-state amorphous-to-crystalline isomerization","Journal of Materials Chemistry C","2015","3","","4115","4125","10.1039/C5TC00119F","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.024","3.79","","","","","","","has coordinates","218870","2020-10-21","18:00:00",""
"7234186","7.994","0.003","15.365","0.006","17.559","0.007","79.498","0.004","88.511","0.004","89.775","0.004","2119.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 Cl4 N Si2 -","- C43 H49 Cl4 N Si2 -","- C86 H98 Cl8 N2 Si4 -","2","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.1837","0.0941","","","0.1875","0.2213","","","","","","1.022","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234187","7.662","0.002","7.788","0.002","17.071","0.005","77.759","0.005","88.811","0.006","83.896","0.006","989.8","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","1","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.0956","0.0608","","","0.1487","0.1759","","","","","","0.978","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234188","7.925","0.003","15.284","0.006","17.503","0.006","99.8","0.017","90.499","0.017","90.132","0.015","2089","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cl4 N2 Si2 -","- C42 H48 Cl4 N2 Si2 -","- C84 H96 Cl8 N4 Si4 -","2","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.1969","0.138","","","0.3565","0.3891","","","","","","1.295","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234189","7.77","0.003","7.311","0.002","11.141","0.004","90","","109.425","0.004","90","","596.9","0.4","103","","103","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C24 H36 N8 -","2","0.5","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.041","0.0372","","","0.0992","0.1017","","","","","","1.19","","","","has coordinates","218872","2020-10-21","18:00:00",""
"7234190","14.8107","0.0013","7.9825","0.0005","15.3064","0.0011","90","","91.463","0.001","90","","1809","0.2","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N6 -","- C18 H26 N6 -","- C72 H104 N24 -","4","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0576","0.047","","","0.1117","0.12","","","","","","1.165","","","","has coordinates","218872","2020-10-21","18:00:00",""
"7234191","23.414","0.012","7.947","0.003","15.216","0.008","90","","126.073","0.002","90","","2288.4","1.9","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N8 -","- C24 H34 N8 -","- C96 H136 N32 -","4","0.5","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0445","0.0388","","","0.0968","0.1018","","","","","","1.045","","","","has coordinates","218872","2020-10-21","18:00:00",""
"7234192","8.347","0.005","13.899","0.009","14.203","0.009","106.524","0.006","95.771","0.006","105.689","0.006","1492.5","1.6","103","","103","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 N10 -","- C30 H42 N10 -","- C60 H84 N20 -","2","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0627","0.0479","","","0.1213","0.1336","","","","","","1.173","","","","has coordinates","218872","2020-10-21","18:00:00",""
"7234193","7.659","0.005","13.191","0.005","18.976","0.005","77.128","0.005","83.248","0.005","79.8","0.005","1833.3","1.5","103","","103","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 N12 -","- C36 H50 N12 -","- C72 H100 N24 -","2","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.71069","MoKα","","0.1188","0.0726","","","0.2028","0.2305","","","","","","1.014","","","","has coordinates","218872","2020-10-21","18:00:00",""
"7234194","12.68202","0.00001","12.68202","","7.97617","0.00001","90","","90","","90","","1282.84","0.0019","423","","423","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","KMnCrF6","","- Cr2.5 F15 K2.59 Mn2.5 -","- Cr2.5 F15 K2.587 Mn2.5 -","- Cr10 F60 K10.348 Mn10 -","4","0.25","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","synchrotron","","","","","","","","8.26","","1.45","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7234195","17.854","0.0001","17.8457","0.0001","7.89452","0.00002","90","","90","","90","","2515.33","0.02","5","","5","","","","","","","","","4","C c c 2","C 2 -2c","37","","KMnCrF6","","- Cr5 F30 K5.17 Mn5 -","- Cr5 F30 K5.167 Mn5 -","- Cr20 F120 K20.668 Mn20 -","4","0.5","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","Synchrotron","","","","","","","","7.32","","3.88","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7234196","12.8051","0.0004","13.0203","0.0004","15.2674","0.0006","101.396","0.003","102.641","0.003","109.004","0.003","2246.47","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD Dy H2O","","- C43 H35 Cl2 Dy F9 N3 O7 -","- C43 H35 Cl2 Dy F9 N3 O7 -","- C86 H70 Cl4 Dy2 F18 N6 O14 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71073","MoKα","","0.0526","0.0391","","","0.0837","0.0874","","","","","","0.98","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234197","12.928","0.005","13.333","0.005","15.388","0.005","94.383","0.005","100.445","0.005","109.447","0.005","2432.7","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD Dy DMF","","- C91 H78 Cl2 Dy2 F18 N8 O14 -","- C91 H78 Cl2 Dy2 F18 N8 O14 -","- C91 H78 Cl2 Dy2 F18 N8 O14 -","1","0.5","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71069","MoKα","","0.0666","0.0563","","","0.1552","0.1646","","","","","","1.04","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234198","12.2553","0.0006","13.2445","0.0006","15.0997","0.0007","94.56","0.004","93.878","0.004","109.954","0.004","2284.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 Dy F9 N3 O7 S -","- C44 H39 Dy F9 N3 O7 S -","- C88 H78 Dy2 F18 N6 O14 S2 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71073","MoKα","","0.0414","0.0352","","","0.0907","0.0958","","","","","","1.018","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234199","12.96","0.005","13.524","0.005","18.921","0.005","70.34","0.005","81.202","0.005","62.275","0.005","2764.4","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD dy TPPO","","- C60 H48 Dy F9 N3 O7 P -","- C60 H48 Dy F9 N3 O7 P -","- C120 H96 Dy2 F18 N6 O14 P2 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71069","MoKα","","0.0436","0.0373","","","0.0932","0.0987","","","","","","1.039","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234200","7.8406","0.0011","7.8406","0.0011","46.557","0.009","90","","90","","120","","2478.6","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- B79 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","1","0.111111","","Rihong Cong; Zhengyang Zhou; Qiaoqi Li; Junliang Sun; Jianhua Lin; Tao Yang","Approaching the structure of REBaB9O16 (RE = rare earth) by characterization of a new analogue Ba6Bi9B79O138","Journal of Materials Chemistry C","2015","3","","4431","4437","10.1039/C5TC00560D","","","0.71073","MoKα","","0.0498","0.0453","","","0.129","0.1326","","","","","","1.082","","","","has coordinates","218876","2020-10-21","18:00:00",""
"7234238","25.816","0.007","12.486","0.003","20.898","0.006","90","","110.361","0.004","90","","6315","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Br2 Cl6 N8 O27 -","- C54 H44 Br2 Cl6 N8 O27 -","- C216 H176 Br8 Cl24 N32 O108 -","4","0.5","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1189","0.091","","","0.2483","0.2934","","","","","","1.194","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234239","9.458","0.004","11.123","0.004","13.733","0.006","110.053","0.016","96.92","0.03","102.05","0.02","1297.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Br Cl N4 O4 -","- C27 H20 Br Cl N4 O4 -","- C54 H40 Br2 Cl2 N8 O8 -","2","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1947","0.0862","","","0.2513","0.3493","","","","","","0.884","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234240","9.583","0.002","9.614","0.002","26.703","0.006","90","","100.57","0.007","90","","2418.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br Cl N4 O4 -","- C27 H20 Br Cl N4 O4 -","- C108 H80 Br4 Cl4 N16 O16 -","4","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.046","0.0376","","","0.1121","0.1225","","","","","","0.895","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234241","16.215","0.007","25.856","0.011","7.236","0.003","90","","96.34","0.009","90","","3015","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H26 Br Cl N4 O7 -","- C27 H20 Br Cl N4 O7 -","- C108 H80 Br4 Cl4 N16 O28 -","4","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1115","0.0864","","","0.2357","0.2637","","","","","","0.94","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234242","20.8647","0.0011","20.8647","0.0011","16.3866","0.001","90","","90","","120","","6177.9","0.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H57 Mo12 N8 O63.5 Te2 -","- C24 H27 Mo12 N8.01 O69 Te2 -","- C72 H81 Mo36 N24.03 O207 Te6 -","3","0.166667","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0505","0.0483","","","0.1332","0.1359","","","","","","1.062","","","","has coordinates,has disorder","218930","2020-10-21","18:00:00",""
"7234243","18.325","0.003","12.758","0.002","21.5","0.003","90","","90.822","0.003","90","","5026","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H85 Mo12 N16 O57.5 Te2 -","- C48 H40 Mo12 N16 O56 Te2 -","- C96 H80 Mo24 N32 O112 Te4 -","2","0.5","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0688","0.0497","","","0.1344","0.1443","","","","","","1.054","","","","has coordinates","218930","2020-10-21","18:00:00",""
"7234244","28.781","0.003","28.635","0.002","25.14","0.002","90","","90","","90","","20719","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H112 Mo24 N48 O124 Te4 -","- C52 H103 Mo24 N48 O118 Te4 -","- C208 H412 Mo96 N192 O472 Te16 -","4","0.5","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0813","0.0532","","","0.1534","0.1712","","","","","","1.081","","","","has coordinates","218930","2020-10-21","18:00:00",""
"7234245","24.4661","0.001","24.4661","0.001","20.545","0.002","90","","90","","120","","10650.4","1.2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","PYPN","2-(pyren-1-yl)-1H-phenanthro[9,10-d]imidazole","","- C31 H18 N2 -","- C31 H18 N2 -","- C558 H324 N36 -","18","1","","Madayanad Suresh Subeesh; Kanagaraj Shanmugasundaram; Chozhidakath Damodharan Sunesh; Yong Sun Won; Youngson Choe","Utilization of a phenanthroimidazole based fluorophore in light-emitting electrochemical cells","Journal of Materials Chemistry C","2015","3","","4683","4687","10.1039/C5TC00151J","","","0.71073","MoKα","","0.1547","0.0735","","","0.1903","0.2145","","","","","","1.04","","","","has coordinates","218931","2020-10-21","18:00:00",""
"7234246","5.8774","0.0003","12.9817","0.0011","13.746","0.0012","106.244","0.003","97.87","0.005","98.955","0.005","976.48","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cu N2 O2 S2 -","- C42 H54 Cu N2 O2 S2 -","- C42 H54 Cu N2 O2 S2 -","1","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.2425","0.1117","","","0.1789","0.2284","","","","","","1.075","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234247","11.555","0.002","13.145","0.003","15.565","0.003","91.68","0.03","96.48","0.03","111.32","0.03","2182","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H0 Cu2 N4 O6 S4 -","- C92 Cu2 N4 O6 S4 -","- C92 Cu2 N4 O6 S4 -","1","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.1129","0.0922","","","0.2912","0.3049","","","","","","2.312","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234248","23.912","0.006","13.712","0.002","12.129","0.003","90","","96.501","0.017","90","","3951.3","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Cu N2 O4 -","- C42 H54 Cu N2 O4 -","- C168 H216 Cu4 N8 O16 -","4","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.0785","0.0529","","","0.1293","0.1368","","","","","","0.904","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234249","11.563","0.0004","25.52","0.0007","18.8834","0.0005","90","","100.77","0.003","90","","5474.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl0.05 N2 O2 P2 -","- C10.7273 H8.72727 Cl0.727273 N0.545455 O0.727273 P0.545455 -","- C236 H192 Cl16 N12 O16 P12 -","22","5.5","","Jilin Jia; Liping Zhu; Ying Wei; Zhongbin Wu; Hui Xu; Dongxue Ding; Runfeng Chen; Dongge Ma; Wei Huang","Triazine-phosphine oxide electron transporter for ultralow-voltage-driven sky blue PHOLEDs","Journal of Materials Chemistry C","2015","3","","4890","4902","10.1039/C4TC02993C","","","0.71073","MoKα","","0.0985","0.0654","","","0.1858","0.208","","","","","","1.255","","","","has coordinates","218933","2020-10-21","18:00:00",""
"7234250","10.644","0.0018","14.262","0.004","18.828","0.003","94.179","0.017","95.469","0.014","108.415","0.019","2683.4","1","173","","173","","","","","","","","","3","P -1","-P 1","2","4TPAE","4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenylaniline)","","- C74 H56 N4 -","- C74 H56 N4 -","- C148 H112 N8 -","2","1","","Lifang Zhao; Yiliu Lin; Tong Liu; Hongxiang Li; Yu Xiong; Wang Zhang Yuan; Herman H.-Y. Sung; Ian D. Williams; Yongming Zhang; Ben Zhong Tang","Rational bridging affording luminogen with AIE features and high field effect mobility","Journal of Materials Chemistry C","2015","3","","4903","4909","10.1039/C5TC00633C","","x-ray","1.5418","CuKα","","0.216","0.0606","","","0.1111","0.1574","","","","","","1.001","","","","has coordinates","218934","2020-10-21","18:00:00",""
"7234251","10.1401","0.0007","14.5567","0.001","17.5318","0.0012","82.8","0.0014","79.8955","0.0015","83.7633","0.0015","2517.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F12 N12 O6 Os2 -","- C44 H28 F12 N12 O6 Os2 -","- C88 H56 F24 N24 O12 Os4 -","2","1","","Jia-Ling Liao; Yun Chi; Chia-Chi Yeh; Hao-Che Kao; Chih-Hao Chang; Mark A. Fox; Paul J. Low; Gene-Hsiang Lee","Near infrared-emitting tris-bidentate Os(ii) phosphors: control of excited state characteristics and fabrication of OLEDs","Journal of Materials Chemistry C","2015","3","","4910","4920","10.1039/C5TC00204D","","","0.71073","MoKα","","0.0451","0.0353","","","0.0946","0.1026","","","","","","1.061","","","","has coordinates,has disorder","218935","2020-10-21","18:00:00",""
"7234252","23.1156","0.0007","16.4313","0.0005","18.4153","0.0005","90","","96.193","0.002","90","","6953.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 F6 N6 Os P2 -","- C35 H30 F6 N6 Os P2 -","- C280 H240 F48 N48 Os8 P16 -","8","1","","Jia-Ling Liao; Yun Chi; Chia-Chi Yeh; Hao-Che Kao; Chih-Hao Chang; Mark A. Fox; Paul J. Low; Gene-Hsiang Lee","Near infrared-emitting tris-bidentate Os(ii) phosphors: control of excited state characteristics and fabrication of OLEDs","Journal of Materials Chemistry C","2015","3","","4910","4920","10.1039/C5TC00204D","","","0.71073","MoKα","","0.0741","0.0482","","","0.1296","0.1409","","","","","","1.056","","","","has coordinates,has disorder","218935","2020-10-21","18:00:00",""
"7234254","5.7003","0.0004","8.7382","0.0005","17.506","0.001","82.547","0.006","84.108","0.006","87.123","0.005","859.44","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 S -","- C21 H15 N3 S -","- C42 H30 N6 S2 -","2","1","","Yue Jiang; Clement Cabanetos; Magali Allain; Ping Liu; Jean Roncali","Manipulation of the band gap and efficiency of a minimalist push-pull molecular donor for organic solar cells","Journal of Materials Chemistry C","2015","3","","5145","5151","10.1039/C5TC00913H","","x-ray","0.71073","MoKα","","0.0839","0.0431","","","0.0871","0.0996","","","","","","1.036","","","","has coordinates","218951","2020-10-21","18:00:00",""
"7234255","10.1911","0.0005","13.6907","0.0006","21.9162","0.001","94.608","0.002","101.173","0.002","110.389","0.002","2775.3","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Kat2Mo6Cl14","","","- C98 H128 Cl18 Mo6 N6 O4 -","- C98 H128 Cl18 Mo6 N6 O4 -","- C98 H128 Cl18 Mo6 N6 O4 -","1","0.5","","M. Prevot; M. Amela-Cortes; S. K. Manna; S. Cordier; T. Roisnel; H. Folliot; L. Dupont; Y. Molard","Electroswitchable red-NIR luminescence of ionic clustomesogen containing nematic liquid crystalline devices","Journal of Materials Chemistry C","2015","3","","5152","5161","10.1039/C5TC00632E","","x-ray","0.71073","MoKα","","0.0485","0.0404","","","0.0982","0.1034","","","","","","1.052","","","","has coordinates","218952","2020-10-21","18:00:00",""
"7234256","9.8354","0.0002","9.6965","0.0003","34.4455","0.0009","90","","90.286","0.002","90","","3284.99","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H76 Cl2 O2 -","- C85 H76 Cl2 O2 -","- C170 H152 Cl4 O4 -","2","1","","Haoke Zhang; Hongkun Li; Jia Wang; Jingzhi Sun; Anjun Qin; Ben Zhong Tang","Axial chiral aggregation-induced emission luminogens with aggregation-annihilated circular dichroism effect","Journal of Materials Chemistry C","2015","3","","5162","5166","10.1039/C5TC00629E","","x-ray","1.5418","CuKα","","0.0755","0.0648","","","0.1627","0.1718","","","","","","1.003","","","","has coordinates","218954","2020-10-21","18:00:00",""
"7234257","6.6037","0.0002","6.6037","0.0002","3.5585","0.0001","90","","90","","120","","134.392","0.007","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- H3 N O6 Sr2 -","- H3 N O6 Sr2 -","- H3 N O6 Sr2 -","1","0.0833333","","Ling Huang; Guohong Zou; Huaqiang Cai; Shichao Wang; Chensheng Lin; Ning Ye","Sr2(OH)3NO3: the first nitrate as a deep UV nonlinear optical material with large SHG responses","Journal of Materials Chemistry C","2015","3","","5268","5274","10.1039/C5TC00344J","","","1.54184","CuKα","","0.0401","0.0401","","","0.1035","0.1035","","","","","","1.239","","","","has coordinates","218955","2020-10-21","18:00:00",""
"7234258","3.081","","3.081","","5.031","","90","","90","","120","","41.359","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Aluminum Nitride","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu","Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition","Journal of Materials Chemistry C","2015","3","","5307","5315","10.1039/C5TC00475F","","","","","","","","","","","","","","","","","","","","","has coordinates","218956","2020-10-21","18:00:00",""
"7234259","3.1972","0.0012","3.1972","0.0012","5.207","0.003","90","","90","","120","","46.1","0.04","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Gallium Nitride - Thick Layer","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu","Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition","Journal of Materials Chemistry C","2015","3","","5307","5315","10.1039/C5TC00475F","","","","","","0.0088","","","","","","","","","","","","","","","has coordinates","218956","2020-10-21","18:00:00",""
"7234260","4.888","0.001","23.378","0.005","15.437","0.003","90","","94.07","0.03","90","","1759.6","0.6","296","2","296","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0748","0.0667","","","0.1555","0.1599","","","","","","1.276","","","","has coordinates","218957","2020-10-21","18:00:00",""
"7234261","38.26","0.03","5.862","0.004","7.489","0.006","90","","92.456","0.009","90","","1678","2","173.15","","173.15","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0648","0.0592","","","0.1608","0.1757","","","","","","1.12","","","","has coordinates","218957","2020-10-21","18:00:00",""
"7234262","10.8937","0.0008","12.4951","0.001","13.103","0.0008","115.982","0.007","111.79","0.006","91.787","0.006","1448.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","PBIPO","Diphenyl(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenyl)phosphine oxide","","- C20 H10 Cl0.5 N2 O P S0.5 -","- C32 H27 Cl2 N2 O2 P -","- C64 H54 Cl4 N4 O4 P2 -","2","1","","Wenjing Kan; Liping Zhu; Ying Wei; Dongge Ma; Mingzhi Sun; Zhongbin Wu; Wei Huang; Hui Xu","Phosphine oxide-jointed electron transporters for the reduction of interfacial quenching in highly efficient blue PHOLEDs","Journal of Materials Chemistry C","2015","3","","5430","5439","10.1039/C5TC00643K","","","0.71073","MoKα","","0.1043","0.0796","","","0.2211","0.2436","","","","","","1.108","","","","has coordinates","218958","2020-10-21","18:00:00",""
"7234263","13.3841","0.0011","13.5035","0.0011","23.4174","0.0019","90","","97.34","0.004","90","","4197.6","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cl Ir N O P2 -","- C48 H39 Cl Ir N O P2 -","- C192 H156 Cl4 Ir4 N4 O4 P8 -","4","1","","Parvej Alam; Gurpreet Kaur; Vishal Kachwal; Asish Gupta; Angshuman Roy Choudhury; Inamur Rahaman Laskar","Highly sensitive explosive sensing by 'aggregation induced phosphorescence' active cyclometalated iridium(iii) complexes","Journal of Materials Chemistry C","2015","3","","5450","5456","10.1039/C5TC00963D","","","0.71073","MoKα","","0.0456","0.0305","","","0.0723","0.0765","","","","","","1.063","","","","has coordinates","218959","2020-10-21","18:00:00",""
"7234264","7.698","0.005","9.598","0.005","20.109","0.005","90","0.005","90","0.005","90","0.005","1485.8","1.3","327","2","327","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.052","0.0496","","","0.1409","0.1443","","","","","","0.95","","","","has coordinates","218960","2020-10-21","18:00:00",""
"7234265","8.455","0.002","19.449","0.005","19.449","","90","","90","","90","","3198.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N O S -","- C17 H18 N O S -","- C136 H144 N8 O8 S8 -","8","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71073","MoKα","","0.0868","0.055","","","0.1517","0.1687","","","","","","0.944","","","","has coordinates,has disorder","218960","2020-10-21","18:00:00",""
"7234266","7.049","0.005","7.957","0.005","18.198","0.005","77.582","0.005","86.058","0.005","85.366","0.005","992.2","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O S -","- C25 H19 N O S -","- C50 H38 N2 O2 S2 -","2","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.0462","0.0385","","","0.1203","0.1313","","","","","","1.049","","","","has coordinates,has disorder","218960","2020-10-21","18:00:00",""
"7234267","12.232","0.005","24.846","0.005","16.81","0.005","90","0.005","100.355","0.005","90","0.005","5026","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C232 H216 N8 O24 S8 -","8","2","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.1603","0.0647","","","0.1613","0.2159","","","","","","1.016","","","","has coordinates","218960","2020-10-21","18:00:00",""
"7234268","8.8386","0.0006","21.5698","0.0016","7.7107","0.0005","90","","98.864","0.007","90","","1452.46","0.18","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N -","- C19 H19 N -","- C76 H76 N4 -","4","1","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","1.54187","CuKα","","","0.0508","","","","0.1374","","","","","","1.003","","","","has coordinates","218961","2020-10-21","18:00:00",""
"7234269","18.041","0.005","10.854","0.003","29.573","0.008","90","","90.118","0.018","90","","5791","3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C288 H336 N24 -","12","3","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","1.54187","CuKα","","","0.0531","","","","0.0863","","","","","","1","","","","has coordinates","218961","2020-10-21","18:00:00",""
"7234270","9.7682","0.001","10.0584","0.0015","10.3707","0.0011","85.751","0.009","66.29","0.007","83.253","0.009","926.1","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C48 H56 N4 -","2","1","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","0.71075","MoKα","","","0.0839","","","","0.2455","","","","","","1.001","","","","has coordinates","218961","2020-10-21","18:00:00",""
"7234271","7.388","0.002","7.625","0.002","9.047","0.003","101.595","0.006","103.106","0.005","99.662","0.004","473.9","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","9,10-bis(piperidyl)anthracene","","- C24 H28 N2 -","- C24 H28 N2 -","- C24 H28 N2 -","1","0.5","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","0.71075","MoKα","","","0.0802","","","","0.2243","","","","","","1.054","","","","has coordinates","218961","2020-10-21","18:00:00",""
"7234272","12.604","0.002","4.8761","0.0009","32.657","0.006","90","","100.676","0.004","90","","1972.3","0.6","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","hexyl-substituted anthra[1,2-b:4,3-b?:5,6-b??:8,7-b???]tetrathiophene","","- C46 H58 S4 -","- C46 H58 S4 -","- C92 H116 S8 -","2","0.5","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71073","MoKα","","0.1216","0.0574","","","0.0906","0.1098","","","","","","1.013","","","","has coordinates","218962","2020-10-21","18:00:00",""
"7234273","10.9591","0.0003","11.813","0.0003","19.6453","0.0005","104.659","0.001","96.32","0.001","103.82","0.001","2349.57","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","C6-ATTDK","2,5,9,12-Tetrahexyl-7,14-dihydro-7,14-ethanoanthra [1,2-b:4,3-b?:5,6-b??:8,7-b???]tetrathiophene-15,16-dione","","- C51 H65 O2 S4 -","- C51 H65 O2 S4 -","- C102 H130 O4 S8 -","2","1","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71075","MoKα","","0.0939","0.0605","","","0.1633","0.193","","","","","","1.102","","","","has coordinates,has disorder","218962","2020-10-21","18:00:00",""
"7234274","12.47","0.0005","13.7514","0.0005","16.2964","0.0006","90","","105.061","0.0008","90","","2698.52","0.18","103","","103","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","C6-BADTDK","2,8-Dihexyl-6,12-dihydro-6,12-ethanoanthra[1,2-b:5,6-b']dithiophene-13,14-dione","","- C32 H34 O2 S2 -","- C32 H34 O2 S2 -","- C128 H136 O8 S8 -","4","1","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71075","MoKα","","","0.0589","","","","0.1559","","","","","","1.05","","","","has coordinates,has disorder","218962","2020-10-21","18:00:00",""
"7234280","9.6337","0.0003","10.7137","0.0005","18.8281","0.0009","98.742","0.004","100.488","0.003","100.213","0.003","1846.15","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tri-n-butylammonium Trichloroacetate","","- C14 H28 Cl3 N O2 -","- C14 H28 Cl3 N O2 -","- C56 H112 Cl12 N4 O8 -","4","2","","Muhammad Adnan Asghar; Chengmin Ji; Yuelan Zhou; Zhihua Sun; Tariq Khan; Shuquan Zhang; Sangen Zhao; Junhua Luo","Order-disorder phase transition coupled with torsion in tri-n-butylammonium trichloroacetate (TBAT)","Journal of Materials Chemistry C","2015","3","","6053","6057","10.1039/C5TC00989H","","","1.54184","CuKα","","0.0576","0.0493","","","0.1271","0.1375","","","","","","1.042","","","","has coordinates","219001","2020-10-21","18:00:00",""
"7234281","9.6704","0.0003","10.5407","0.0004","19.7334","0.0009","98.677","0.004","101.665","0.004","98.35","0.003","1915.04","0.14","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","Tri-n-butylammonium Trichloroacetate","","- C14 H28 Cl3 N O2 -","- C14 H28 Cl3 N O2 -","- C56 H112 Cl12 N4 O8 -","4","2","","Muhammad Adnan Asghar; Chengmin Ji; Yuelan Zhou; Zhihua Sun; Tariq Khan; Shuquan Zhang; Sangen Zhao; Junhua Luo","Order-disorder phase transition coupled with torsion in tri-n-butylammonium trichloroacetate (TBAT)","Journal of Materials Chemistry C","2015","3","","6053","6057","10.1039/C5TC00989H","","","1.54184","CuKα","","0.0793","0.0643","","","0.1657","0.1813","","","","","","1.057","","","","has coordinates,has disorder","219001","2020-10-21","18:00:00",""
"7234282","5.6911","0.0019","17.259","0.006","7.0675","0.0016","90","","117.647","0.019","90","","614.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C28 H20 Br4 -","2","0.5","","Wei Huang; Hejian Zhang; Ji Ma; Moyun Chen; Haoyun Zhu; Weizhi Wang","Ladder-type conjugated oligomers prepared by the Scholl oxidative cyclodehydrogenation reaction: synthesis, characterization and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","6200","6208","10.1039/C5TC00354G","","","0.71073","MoKα","","0.0447","0.0409","","","0.0949","0.0966","","","","","","1.048","","","","has coordinates","219003","2020-10-21","18:00:00",""
"7234283","15.526","0.005","6.539","0.005","25.12","0.005","90","","90.019","0.01","90","","2550","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Wei Huang; Hejian Zhang; Ji Ma; Moyun Chen; Haoyun Zhu; Weizhi Wang","Ladder-type conjugated oligomers prepared by the Scholl oxidative cyclodehydrogenation reaction: synthesis, characterization and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","6200","6208","10.1039/C5TC00354G","","","0.71073","MoKα","","0.1632","0.1206","","","0.2428","0.2586","","","","","","1.037","","","","has coordinates","219003","2020-10-21","18:00:00",""
"7234284","11.305","0.002","13.536","0.003","15.408","0.003","90","","111.03","0.03","90","","2200.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cu3 I3 N6 -","- C18 H15 Cu3 I3 N6 -","- C72 H60 Cu12 I12 N24 -","4","1","","Yang Song; Ruiqing Fan; Ping Wang; Xinming Wang; Song Gao; Xi Du; Yulin Yang; Tianzhu Luan","Copper(i)-iodide based coordination polymers: bifunctional properties related to thermochromism and PMMA-doped polymer film materials","Journal of Materials Chemistry C","2015","3","","6249","6259","10.1039/C5TC01273B","","","0.71073","MoKα","","0.0362","0.0311","","","0.0715","0.0765","","","","","","1.02","","","","has coordinates","219004","2020-10-21","18:00:00",""
"7234285","8.9396","0.0012","14.0865","0.0019","14.727","0.002","92.344","0.002","97.653","0.002","90.604","0.002","1836.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu4 I4 N8 O0 -","- C28 H28 Cu4 I4 N8 -","- C56 H56 Cu8 I8 N16 -","2","1","","Yang Song; Ruiqing Fan; Ping Wang; Xinming Wang; Song Gao; Xi Du; Yulin Yang; Tianzhu Luan","Copper(i)-iodide based coordination polymers: bifunctional properties related to thermochromism and PMMA-doped polymer film materials","Journal of Materials Chemistry C","2015","3","","6249","6259","10.1039/C5TC01273B","","","0.71073","MoKα","","0.0407","0.0299","","","0.0837","0.0906","","","","","","0.91","","","","has coordinates","219004","2020-10-21","18:00:00",""
"7234286","12.345","0.007","12.481","0.007","12.85","0.003","90","","133.15","0.02","90","","1444.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","","Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture","Journal of Materials Chemistry C","2015","3","","6350","6358","10.1039/C5TC01004G","","","0.71073","MoKα","","0.0622","0.0415","","","0.1115","0.1295","","","","","","1.156","","","","has coordinates","219005","2020-10-21","18:00:00",""
"7234287","8.8169","0.001","8.8169","0.001","6.4562","0.0012","90","","90","","90","","501.89","0.12","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","","Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture","Journal of Materials Chemistry C","2015","3","","6350","6358","10.1039/C5TC01004G","","","0.71073","MoKα","","0.1174","0.0879","","","0.2006","0.2173","","","","","","1.202","","","","has coordinates","219005","2020-10-21","18:00:00",""
"7234288","3.9847","0.0004","11.5962","0.0008","21.0935","0.0013","102.184","0.006","90.398","0.007","91.768","0.007","952.18","0.13","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","bis (vinyl quinolinyl)bBenzene","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","1","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0969","0.0668","","","0.1556","0.17","","","","","","1.088","","","","has coordinates","219006","2020-10-21","18:00:00",""
"7234289","10.5974","0.0004","7.5438","0.0003","17.0328","0.0007","90","","106.225","0.004","90","","1307.45","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H24 N2 S2 -","- C36 H24 N2 S2 -","- C72 H48 N4 S4 -","2","1","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0454","0.0418","","","0.115","0.117","","","","","","1.06","","","","has coordinates,has disorder","219006","2020-10-21","18:00:00",""
"7234290","28.872","0.0015","7.3042","0.0003","6.3633","0.0003","90","","90.936","0.004","90","","1341.76","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0606","0.046","","","","0.129","","","","","","1.04","","","","has coordinates","219006","2020-10-21","18:00:00",""
"7234291","12.3589","0.0011","14.041","0.0012","14.1355","0.0012","96.287","0.002","104.612","0.001","102.61","0.002","2280.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H86 Cl18 N12 O20 Ru -","- C78 H86 Cl18 N12 O20 Ru -","- C78 H86 Cl18 N12 O20 Ru -","1","0.5","","Yulia G. Gorbunova; Antonina D. Grishina; Alexander G. Martynov; Tatiyana V. Krivenko; Alexandra A. Isakova; Vladimir V. Savel'ev; Sergey E. Nefedov; Evgeny V. Abkhalimov; Anatoly V. Vannikov; Aslan Yu. Tsivadze","The crucial role of self-assembly in nonlinear optical properties of polymeric composites based on crown-substituted ruthenium phthalocyaninate","Journal of Materials Chemistry C","2015","3","","6692","6700","10.1039/C5TC00965K","","","0.71073","MoKα","","0.155","0.071","","","0.1519","0.1903","","","","","","1.008","","","","has coordinates,has disorder","219008","2020-10-21","18:00:00",""
"7234292","7.341","0.004","30.358","0.014","16.214","0.009","90","","97.409","0.011","90","","3583","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H76 N6 O -","- C94 H76 N6 O -","- C188 H152 N12 O2 -","2","1","","D. Kaleeswaran; Pratap Vishnoi; Ramaswamy Murugavel","[3+3] Imine and beta-ketoenamine tethered fluorescent covalent-organic frameworks for CO2 uptake and nitroaromatic sensing","Journal of Materials Chemistry C","2015","3","","7159","7171","10.1039/C5TC00670H","","","1.5419","CuKα","","0.1005","0.071","","","0.1614","0.1891","","","","","","1.11","","","","has coordinates","219009","2020-10-21","18:00:00",""
"7234293","9.392","0.004","25.613","0.013","32.908","0.016","90","","97.358","0.001","90","","7851","6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C81 H81 N3 -","- C81 H81 N3 -","- C324 H324 N12 -","4","1","","D. Kaleeswaran; Pratap Vishnoi; Ramaswamy Murugavel","[3+3] Imine and beta-ketoenamine tethered fluorescent covalent-organic frameworks for CO2 uptake and nitroaromatic sensing","Journal of Materials Chemistry C","2015","3","","7159","7171","10.1039/C5TC00670H","","","0.71075","MoKα","","0.12","0.089","","","0.2247","0.2476","","","","","","1.08","","","","has coordinates,has disorder","219009","2020-10-21","18:00:00",""
"7234294","23.98","0.0007","17.7382","0.0006","8.0277","0.0003","90","","90","","90","","3414.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H28 Cl3 N3 O2 -","- C42 H28 Cl3 N3 O2 -","- C168 H112 Cl12 N12 O8 -","4","0.5","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.1132","0.0678","","","0.1743","0.2073","","","","","","1.034","","","","has coordinates","219011","2020-10-21","18:00:00",""
"7234295","9.0205","0.0003","10.9629","0.0003","17.9974","0.0006","78.085","0.003","82.277","0.003","80.414","0.003","1707.87","0.1","284","2","284","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Cl3 N3 O2 -","- C42 H28 Cl3 N3 O2 -","- C84 H56 Cl6 N6 O4 -","2","1","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.0501","0.0429","","","0.144","0.153","","","","","","1.147","","","","has coordinates","219011","2020-10-21","18:00:00",""
"7234296","26.2357","0.0007","15.5476","0.0003","19.4629","0.0005","90","","107.126","0.003","90","","7586.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H43 N3 O4 -","- C49 H43 N3 O4 -","- C392 H344 N24 O32 -","8","1","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.0607","0.0565","","","0.1499","0.1536","","","","","","1.019","","","","has coordinates","219011","2020-10-21","18:00:00",""
"7234297","16.765","0.002","15.096","0.008","20.642","0.001","90","","90","","90","","5224","3","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H18 F4 Ir N5 O2 -","- C28 H18 F4 Ir N5 O2 -","- C224 H144 F32 Ir8 N40 O16 -","8","1","","K. S. Bejoymohandas; Arunandan Kumar; S. Varughese; E. Varathan; V. Subramanian; M. L. P. Reddy","Photophysical and electroluminescence properties of bis(2',6'-difluoro-2,3'-bipyridinato-N,C4')iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4' position of the pyridyl moiety of the cyclometalated ligand","Journal of Materials Chemistry C","2015","3","","7405","7420","10.1039/C5TC01260K","","","0.71073","MoKα","","0.09","0.0772","","","0.1937","0.2141","","","","","","1.048","","","","has coordinates","219013","2020-10-21","18:00:00",""
"7234298","12.069","0.003","12.029","0.003","19.562","0.005","90","","92.189","0.004","90","","2837.9","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl2 F4 Ir N5 O4 -","- C29 H20 Cl2 F4 Ir N5 O4 -","- C116 H80 Cl8 F16 Ir4 N20 O16 -","4","1","","K. S. Bejoymohandas; Arunandan Kumar; S. Varughese; E. Varathan; V. Subramanian; M. L. P. Reddy","Photophysical and electroluminescence properties of bis(2',6'-difluoro-2,3'-bipyridinato-N,C4')iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4' position of the pyridyl moiety of the cyclometalated ligand","Journal of Materials Chemistry C","2015","3","","7405","7420","10.1039/C5TC01260K","","","0.71073","MoKα","","0.025","0.0214","","","0.0517","0.053","","","","","","1.047","","","","has coordinates","219013","2020-10-21","18:00:00",""
"7234299","10","0.002","28","0.006","7","0.0014","90","","105","0.03","90","","1893.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SBOH","(E)-dimethyl 5-((4-(diethylamino)-2-hydroxybenzylidene)amino)isophthalate","","- C H N O -","- C2.21053 H2.52632 N0.210526 O0.526316 -","- C84 H96 N8 O20 -","38","9.5","","Tianyu Han; Xiao Feng; Didi Chen; Yuping Dong","A diethylaminophenol functionalized Schiff base: crystallization-induced emission-enhancement, switchable fluorescence and application for security printing and data storage","Journal of Materials Chemistry C","2015","3","","7446","7454","10.1039/C5TC00891C","","","0.71073","MoKα","","0.0789","0.064","","","0.1569","0.1728","","","","","","0.775","","","","has coordinates","219015","2020-10-21","18:00:00",""
"7234300","11.5659","0.0004","5.133","0.0001","15.5436","0.0005","90","","90.063","0.002","90","","922.79","0.05","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 -","- C17 H8 -","- C68 H32 -","4","1","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.0691","0.0483","","","0.1263","0.1419","","","","","","1.086","","","","has coordinates","219018","2020-10-21","18:00:00",""
"7234301","5.0661","0.0017","15.948","0.006","25.586","0.009","90","","90","","90","","2067.2","1.3","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C36 H20 -","- C36 H20 -","- C144 H80 -","4","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.1674","0.0659","","","0.1682","0.2555","","","","","","1.016","","","","has coordinates","219018","2020-10-21","18:00:00",""
"7234302","11.8364","0.0004","5.0807","0.0002","15.5746","0.0006","90","","90.487","0.002","90","","936.58","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 F -","- C17 H7 F -","- C68 H28 F4 -","4","1","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.0567","0.0394","","","0.1075","0.1215","","","","","","1.047","","","","has coordinates","219018","2020-10-21","18:00:00",""
"7234303","12.403","0.006","5.099","0.002","15.999","0.007","90","","95.079","0.014","90","","1007.9","0.8","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H18 -","- C35 H18 -","- C70 H36 -","2","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.2131","0.078","","","0.2024","0.2964","","","","","","0.919","","","","has coordinates,has disorder","219018","2020-10-21","18:00:00",""
"7234304","26.659","0.004","6.1038","0.0011","19.317","0.004","90","","119.161","0.015","90","","2744.9","0.9","200","2","200","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 -","- C42 H32 -","- C168 H128 -","4","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.213","0.068","","","0.1624","0.259","","","","","","0.952","","","","has coordinates","219018","2020-10-21","18:00:00",""
"7234305","9.8428","0.0015","17.45","0.003","12.4113","0.0019","90","","101.866","0.002","90","","2086.2","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TPO-DBBO","4,8-bis(4-yl-triphenylphosphine oxide)-2,6-dimethylbenzo [1,2-d:4,5-d']bis(oxazole)","","- C48 H42 N2 O6 P2 -","- C48 H42 N2 O6 P2 -","- C96 H84 N4 O12 P4 -","2","0.5","","Xiaojun Yin; Tingke Zhang; Qiming Peng; Tao Zhou; Weixuan Zeng; Zece Zhu; Guohua Xie; Feng Li; Dongge Ma; Chuluo Yang","Benzobisoxazole-based electron transporting materials with high Tg and ambipolar property: high efficiency deep-red phosphorescent OLEDs","Journal of Materials Chemistry C","2015","3","","7589","7596","10.1039/C5TC01353D","","","0.71073","MoKα","","0.07","0.0624","","","0.2009","0.219","","","","","","1.09","","","","has coordinates,has disorder","219020","2020-10-21","18:00:00",""
"7234306","13.1195","0.0007","10.2129","0.0006","17.5681","0.001","90","","93.941","0.002","90","","2348.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Cl3 Dy O22 -","- C8 H28 Cl3 Dy O22 -","- C32 H112 Cl12 Dy4 O88 -","4","1","","Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington","Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour","Journal of Materials Chemistry C","2015","3","","7738","7747","10.1039/C5TC01264C","","","0.71073","MoKα","","0.0213","0.0208","","","0.0514","0.0516","","","","","","1.334","","","","has coordinates","219022","2020-10-21","18:00:00",""
"7234307","15.8533","0.0014","14.6908","0.0014","16.4867","0.0015","90","","99.409","0.004","90","","3788.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl3 Dy O27 -","- C20 H48 Cl3 Dy O27 -","- C80 H192 Cl12 Dy4 O108 -","4","1","","Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington","Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour","Journal of Materials Chemistry C","2015","3","","7738","7747","10.1039/C5TC01264C","","","0.71073","MoKα","","0.049","0.046","","","0.135","0.1394","","","","","","1.233","","","","has coordinates","219022","2020-10-21","18:00:00",""
"7234308","11.061","0.007","9.663","0.006","16.8","0.01","90","","91.609","0.01","90","","1794.9","1.9","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N4 O4 -","- C42 H38 N4 O4 -","- C84 H76 N8 O8 -","2","0.5","","Bin-Bin Ma; Hua Zhang; Yu Wang; Yu-Xin Peng; Wei Huang; Ming-Kui Wang; Yan Shen","Visualized acid-base discoloration and optoelectronic investigations of azines and azomethines having double 4-[N,N-di(4-methoxyphenyl)amino]phenyl terminals","Journal of Materials Chemistry C","2015","3","","7748","7755","10.1039/C5TC00909J","","","0.71073","MoKα","","0.1353","0.0775","","","0.216","0.2435","","","","","","1.026","","","","has coordinates","219023","2020-10-21","18:00:00",""
"7234309","20.928","0.002","10.0003","0.0011","33.93","0.004","90","","102.537","0.002","90","","6931.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 N3 O4 -","- C41 H37 N3 O4 -","- C328 H296 N24 O32 -","8","2","","Bin-Bin Ma; Hua Zhang; Yu Wang; Yu-Xin Peng; Wei Huang; Ming-Kui Wang; Yan Shen","Visualized acid-base discoloration and optoelectronic investigations of azines and azomethines having double 4-[N,N-di(4-methoxyphenyl)amino]phenyl terminals","Journal of Materials Chemistry C","2015","3","","7748","7755","10.1039/C5TC00909J","","","0.71073","MoKα","","0.2189","0.0679","","","0.1061","0.128","","","","","","0.996","","","","has coordinates","219023","2020-10-21","18:00:00",""
"7234319","12.173","0.006","12.28","0.005","16.068","0.008","69.861","0.018","69.023","0.018","60.628","0.015","1912","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","iron(II) py3CMe complex","tetrabutylammonium iron(II)(1,1,1-tris(2-pyridyl)ethane)trithiocyanate","","- C36 H51 Fe N7 S3 -","- C36 H51 Fe N7 S3 -","- C72 H102 Fe2 N14 S6 -","2","1","","Masaru Yamasaki; Takayuki Ishida","Heating-rate dependence of spin-crossover hysteresis observed in an iron(ii) complex having tris(2-pyridyl)methanol","Journal of Materials Chemistry C","2015","3","","7784","7787","10.1039/C5TC00926J","","","0.71073","MoKα","","","0.0795","","","","0.0928","","","","","","1.093","","","","has coordinates","219058","2020-10-21","18:00:00",""
"7234320","12.2761","0.0006","15.8132","0.0007","15.835","0.0008","84.871","0.002","74.034","0.002","87.117","0.002","2942.5","0.2","306","2","306","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","2","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.167","0.0656","","","0.1074","0.1337","","","","","","1.049","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234321","12.276","0.01","16.18","0.013","15.724","0.013","90","","108.76","0.02","90","","2957","4","306","2","306","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.2613","0.0788","","","0.1069","0.1491","","","","","","0.961","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234322","12.3044","0.0014","16.188","0.002","15.6103","0.0018","90","","108.424","0.007","90","","2949.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.1482","0.0463","","","0.0944","0.1176","","","","","","0.792","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234323","12.0934","0.0012","15.3697","0.0017","15.9466","0.0015","84.159","0.007","74.197","0.006","87.61","0.007","2836.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","2","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","1.54178","CuKα","","0.1393","0.0853","","","0.2399","0.2773","","","","","","1.043","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234324","11.9822","0.0013","15.0665","0.0018","15.8827","0.0018","81.337","0.007","76.852","0.006","85.591","0.006","2757.6","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cu2 F24 N8 O12 -","- C42 H38 Cu2 F24 N8 O12 -","- C84 H76 Cu4 F48 N16 O24 -","2","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","1.54178","CuKα","","0.1164","0.0918","","","0.2413","0.2694","","","","","","1.053","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234325","9.4585","0.0004","10.1452","0.0003","11.4899","0.0005","109.574","0.0013","95.7112","0.0013","116.144","0.0009","891.86","0.06","163","","163","","","","","","","","","5","P -1","-P 1","2","","3?-fluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H25 F N2 O2 -","- C20 H25 F N2 O2 -","- C40 H50 F2 N4 O4 -","2","1","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0517","","","","0.0515","","","","","","1.083","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234326","18.697","0.01","10.113","0.006","11.965","0.006","110.81","0.05","95.19","0.04","115.19","0.04","1834","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","2?,5?-difluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H24 F2 N2 O2 -","- C20 H24 F2 N2 O2 -","- C80 H96 F8 N8 O8 -","4","2","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0596","","","","0.0795","","","","","","1.054","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234327","9.549","0.004","10.244","0.005","12.036","0.005","111.13","0.04","93.65","0.03","116.77","0.03","943.7","0.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","2?,5?-difluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H24 F2 N2 O2 -","- C20 H24 F2 N2 O2 -","- C40 H48 F4 N4 O4 -","2","1","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0689","","","","0.0822","","","","","","0.997","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234328","10.4681","0.0004","10.4451","0.0004","15.8449","0.0006","90","","104.194","0.004","90","","1679.6","0.11","250","2","250","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0641","0.0557","","","0.1641","0.1701","","","","","","1.085","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234329","10.1153","0.0003","10.0824","0.0003","15.4366","0.0006","90","","100.79","0.004","90","","1546.49","0.09","95","2","95","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0605","0.0533","","","0.1534","0.1606","","","","","","1.094","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234330","23.784","0.007","14.518","0.001","15.534","0.0019","90","","127.854","0.005","90","","4235.2","1.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14.5 Fe N14 O1.25 -","- C18 H14.5 Fe N14 O1.25 -","- C144 H116 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0383","0.0323","","","0.0851","0.0907","","","","","","1.049","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234331","23.709","0.001","14.472","0.002","15.326","0.049","90","","127.617","0.014","90","","4165","13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14.5 Fe N14 O1.25 -","- C18 H14.5 Fe N14 O1.25 -","- C144 H116 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0956","0.0756","","","0.153","0.1693","","","","","","1.111","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234332","24.495","0.016","14.671","0.003","16.712","0.009","90","","131.374","0.024","90","","4507","4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.25 H17 Fe N14 O1.25 -","- C19.25 H17 Fe N14 O1.25 -","- C154 H136 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0367","0.0338","","","0.1001","0.103","","","","","","1.046","","","","has coordinates","219063","2020-10-21","18:00:00",""
"7234333","23.843","0.005","14.824","0.003","15.571","0.002","90","","129.178","0.009","90","","4266.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.25 H17 Fe N14 O1.25 -","- C19.25 H17 Fe N14 O1.25 -","- C154 H136 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0484","0.0458","","","0.1231","0.1254","","","","","","1.079","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234334","24.389","0.049","14.586","0.005","16.985","0.021","90","","131.227","0.038","90","","4544","11","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Fe N14 O -","- C20 H18 Fe N14 O -","- C160 H144 Fe8 N112 O8 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0767","0.0514","","","0.1429","0.1635","","","","","","1.03","","","","has coordinates","219063","2020-10-21","18:00:00",""
"7234335","23.815","0.029","14.299","0.005","17.265","0.005","90","","131.676","0.033","90","","4391","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Fe N14 O -","- C20 H18 Fe N14 O -","- C160 H144 Fe8 N112 O8 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0879","0.0596","","","0.1573","0.1933","","","","","","1.059","","","","has coordinates","219063","2020-10-21","18:00:00",""
"7234336","11.53","0.002","15.84","0.003","12.19","0.002","90","","103.79","0.03","90","","2162.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FeII(DMIP)2(NCS)2]","","","- C40 H44 Cl2 Fe N16 S2 -","- C40 H44 Cl2 Fe N16 S2 -","- C80 H88 Cl4 Fe2 N32 S4 -","2","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0919","0.0825","","","0.1984","0.2052","","","","","","1.082","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234337","11.443","0.002","15.924","0.003","12.05","0.002","90","","103.92","0.03","90","","2131.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[FeII(DMIP)2(NCSe)2]","","","- C40 H44 Cl2 Fe N16 Se2 -","- C40 H44 Cl2 Fe N16 Se2 -","- C80 H88 Cl4 Fe2 N32 Se4 -","2","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0956","0.0638","","","0.1585","0.1757","","","","","","1.046","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234338","21.5412","0.0009","14.7267","0.0006","17.567","0.0007","90","","90","","90","","5572.8","0.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCS)2]","","","- C52 H72 Fe N18 S2 -","- C52 H72 Fe N18 S2 -","- C208 H288 Fe4 N72 S8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.0534","0.0357","","","0.0785","0.0863","","","","","","1.002","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234339","21.5709","0.0015","14.7251","0.0007","17.349","0.002","90","","90","","90","","5510.6","0.8","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1396","0.07","","","0.1714","0.2254","","","","","","1.058","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234340","21.4283","0.0011","14.7993","0.0007","17.6804","0.0013","90","","90","","90","","5606.9","0.6","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1207","0.0528","","","0.1","0.1311","","","","","","1.027","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234341","21.4596","0.0012","14.8312","0.0007","17.8149","0.0014","90","","90","","90","","5670","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.131","0.0498","","","0.0998","0.1344","","","","","","1.026","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234342","33.105","0.007","27.231","0.005","18.266","0.004","90","","105.29","0.03","90","","15884","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeII(DHDT)2(NCS)2]","","","- C76 H120 Fe N18 S2 -","- C76 H120 Fe N18 S2 -","- C608 H960 Fe8 N144 S16 -","8","1","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.1272","0.1201","","","0.3258","0.3291","","","","","","1.121","","","","has coordinates,has disorder","219064","2020-10-21","18:00:00",""
"7234343","8.928","0.0018","27.219","0.005","32.757","0.007","90","","90","","90","","7960","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[CoII(DHDT)2(NCS)2]","","","- C76 H120 Co N18 S2 -","- C76 H120 Co N18 S2 -","- C304 H480 Co4 N72 S8 -","4","1","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0743","0.0513","","","0.122","0.1365","","","","","","1.045","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234344","15.933","0.003","24.42","0.005","28.254","0.006","112.77","0.03","101.58","0.03","96.26","0.03","9716","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[Co(DODT)2(NCS)2]","","","- C92 H152 Co N18 S2 -","- C92 H149 Co N18 S2 -","- C368 H596 Co4 N72 S8 -","4","2","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.1828","0.1304","","","0.3565","0.3986","","","","","","1.376","","","","has coordinates,has disorder","219064","2020-10-21","18:00:00",""
"7234345","22.776","0.003","13.616","0.002","35.453","0.005","90","","97.2283","0.0019","90","","10907","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Fe N6 Ni2 S24 -","- C38 H22 Fe N6 Ni2 S24 -","- C304 H176 Fe8 N48 Ni16 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.0513","0.0353","","","0.0762","0.0824","","","","","","1.035","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234346","24.117","0.005","13.501","0.003","35.467","0.007","90","","97.911","0.003","90","","11438","4","400","2","400","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Fe N6 Ni2 S24 -","- C38 H22 Fe N6 Ni2 S24 -","- C304 H176 Fe8 N48 Ni16 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.1877","0.0783","","","0.144","0.1838","","","","","","1.048","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234347","22.892","0.002","13.6036","0.0014","35.684","0.004","90","","96.3714","0.0014","90","","11043.8","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Au2 Fe N6 S24 -","- C38 H22 Au2 Fe N6 S24 -","- C304 H176 Au16 Fe8 N48 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.0515","0.0354","","","0.0743","0.0801","","","","","","1.032","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234348","8.8298","0.0006","11.2957","0.0008","10.6572","0.0007","90","","112.828","0.009","90","","979.68","0.13","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H16 Cl2 Co N4 O2 -","- C20 H10 Cl2 Co N4 O2 -","- C40 H20 Cl4 Co2 N8 O4 -","2","0.5","","Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami","The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)","Journal of Materials Chemistry C","2015","3","","7865","7869","10.1039/C5TC00864F","","","0.71075","MoKα","","0.0515","0.0344","","","0.1103","0.1274","","","","","","1.053","","","","has coordinates","219067","2020-10-21","18:00:00",""
"7234349","8.5932","0.0007","10.7755","0.0008","21.7683","0.0018","90","","97.685","0.013","90","","1997.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 Co N4 O -","- C21 H14 Br2 Co N4 O -","- C84 H56 Br8 Co4 N16 O4 -","4","1","","Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami","The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)","Journal of Materials Chemistry C","2015","3","","7865","7869","10.1039/C5TC00864F","","","1.54187","CuKα","","0.1322","0.0956","","","0.2324","0.263","","","","","","1.061","","","","has coordinates","219067","2020-10-21","18:00:00",""
"7234350","11.4442","0.0005","12.4056","0.0005","12.5831","0.0006","77.935","0.003","69.6","0.003","62.577","0.003","1483.73","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C29.5 H31.5 B2 Fe N10 -","- C59 H63 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.052","0.039","","","0.0886","0.0962","","","","","","1.027","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234351","11.4773","0.0005","12.358","0.0005","12.6893","0.0005","78.624","0.003","69.827","0.003","62.909","0.003","1502.3","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C29.5 H31.5 B2 Fe N10 -","- C59 H63 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.0578","0.0422","","","0.096","0.1037","","","","","","1.043","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234352","11.5171","0.0006","12.3371","0.0007","12.7977","0.0007","79.224","0.004","69.756","0.004","63.512","0.004","1525.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C26 H28 B2 Fe N10 -","- C52 H56 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.0736","0.0489","","","0.1218","0.1336","","","","","","1.004","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234364","31.59","0.005","31.59","0.005","18.32","0.004","90","","90","","120","","15833","5","100","2","100","2","","","","","","","","6","P 3","P 3","143","","","","- C188 H180 B8 F32 Fe4 N52 -","- C170.5 H153.75 B7.5 F30 Fe4 N43.25 -","- C511.5 H461.25 B22.5 F90 Fe12 N129.75 -","3","1","","Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li","A large spin-crossover [Fe4L4]8+ tetrahedral cage","Journal of Materials Chemistry C","2015","3","","7878","7882","10.1039/C5TC00991J","","","0.7108","silicondoublecrystalmonocromatedsynchrotron","","0.1038","0.0961","","","0.2485","0.258","","","","","","1.077","","","","has coordinates,has disorder","219092","2020-10-21","18:00:00",""
"7234365","11.4182","0.0005","13.3351","0.0007","13.888","0.0008","85.289","0.004","68.183","0.004","66.115","0.004","1789.21","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) di-tetrafluoroborate monohydrate","","- C30 H34 B2 F8 Fe N12 O S2 -","- C30 H34 B2 F8 Fe N12 O S2 -","- C60 H68 B4 F16 Fe2 N24 O2 S4 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0691","0.0564","","","0.1313","0.1421","","","","","","1.035","","","","has coordinates,has disorder","219093","2020-10-21","18:00:00",""
"7234366","11.5334","0.0006","13.2237","0.0007","14.0842","0.0008","85.594","0.004","68.23","0.005","65.418","0.005","1806.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) diperchlorate hydrate (1/0.33)","","- C30 H32.66 Cl2 Fe N12 O8.33 S2 -","- C30 H32 Cl2 Fe N12 O8.33 S2 -","- C60 H64 Cl4 Fe2 N24 O16.66 S4 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0948","0.0584","","","0.0994","0.1158","","","","","","1.046","","","","has coordinates,has disorder","219093","2020-10-21","18:00:00",""
"7234367","12.4186","0.0007","13.3433","0.0007","14.2652","0.0006","75.472","0.004","67.419","0.005","64.19","0.005","1954.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) bis-trifluoromethanesulfonate","","- C32 H32 F6 Fe N12 O6 S4 -","- C32 H32 F6 Fe N12 O6 S4 -","- C64 H64 F12 Fe2 N24 O12 S8 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0719","0.052","","","0.1037","0.1189","","","","","","1.038","","","","has coordinates","219093","2020-10-21","18:00:00",""
"7234368","12.5624","0.0005","24.0375","0.001","26.6188","0.0011","74.498","0.004","79.058","0.004","83.756","0.003","7590.5","0.6","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.1132","0.063","","","0.171","0.2238","","","","","","0.847","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234369","12.5675","0.0004","24.0765","0.0007","26.612","0.0008","74.5","0.003","78.987","0.003","83.749","0.003","7602.3","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0699","0.0551","","","0.1429","0.1562","","","","","","1.031","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234370","12.5916","0.0005","24.3127","0.0009","26.5376","0.0009","74.657","0.003","79.235","0.003","84.044","0.003","7684","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0861","0.0615","","","0.1617","0.1913","","","","","","0.883","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234371","9.1729","0.0006","11.846","0.0008","13.1452","0.0009","72.777","0.006","80.246","0.006","72.508","0.006","1296.17","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0636","0.057","","","0.1464","0.1541","","","","","","1.061","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234372","9.2268","0.0006","11.921","0.0009","13.1309","0.001","72.801","0.007","80.517","0.006","72.197","0.006","1309.25","0.18","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0701","0.0611","","","0.1539","0.1664","","","","","","1.057","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234373","9.2682","0.0014","11.98","0.0014","13.0643","0.0016","72.936","0.004","80.962","0.004","71.93","0.003","1314.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","0.71073","MoKα","","0.0801","0.0471","","","0.1101","0.1193","","","","","","1.025","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234374","9.3162","0.0009","12.091","0.0011","13.0809","0.0013","73.081","0.008","81.247","0.008","71.461","0.008","1333.6","0.2","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0881","0.0669","","","0.1753","0.2009","","","","","","1.022","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234375","9.3555","0.0011","12.196","0.0012","13.0415","0.0014","73.212","0.009","81.693","0.009","71.004","0.01","1344.9","0.3","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.1089","0.0745","","","0.1887","0.2462","","","","","","1.01","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234376","4.084","0.001","12.918","0.003","22.854","0.006","101.906","0.019","91.824","0.02","93.995","0.02","1175.6","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[NiL26a]","","","- C26 H24 N4 Ni O6 -","- C26 H24 N4 Ni O6 -","- C52 H48 N8 Ni2 O12 -","2","1","","Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber","Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change","Journal of Materials Chemistry C","2015","3","","7925","7935","10.1039/C5TC00837A","","","0.71069","MoKα","","0.1498","0.0497","","","0.072","0.0884","","","","","","0.68","","","","has coordinates","219095","2020-10-21","18:00:00",""
"7234377","8.651","0.001","11.798","0.002","18.199","0.003","71.833","0.011","86.734","0.012","88.122","0.012","1761.8","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL26a(EtOH)]2CHCl3","","","- C30 H32 Cl6 Cu N4 O7 -","- C30 H32 Cl6 Cu N4 O7 -","- C60 H64 Cl12 Cu2 N8 O14 -","2","1","","Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber","Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change","Journal of Materials Chemistry C","2015","3","","7925","7935","10.1039/C5TC00837A","","","0.71069","MoKα","","0.1779","0.1176","","","0.2963","0.3478","","","","","","0.988","","","","has coordinates","219095","2020-10-21","18:00:00",""
"7234378","18.6735","0.0002","21.7084","0.0002","28.6619","0.0004","90","","108.87","0.001","90","","10994.3","0.2","119.95","0.1","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H312 Mn2 Mo12 N34 O61 -","- C176 H312 Mn2 Mo12 N34 O61 -","- C352 H624 Mn4 Mo24 N68 O122 -","2","0.5","","Alexandre Abherve; Mario Palacios-Corella; Juan Modesto Clemente-Juan; Raphael Marx; Petr Neugebauer; Joris van Slageren; Miguel Clemente-Leon; Eugenio Coronado","Bimetallic MnIII-FeII hybrid complexes formed by a functionalized MnIII Anderson polyoxometalate coordinated to FeII: observation of a field-induced slow relaxation of magnetization in the MnIII centres and a photoinduced spin-crossover in the FeII centres","Journal of Materials Chemistry C","2015","3","","7936","7945","10.1039/C5TC01089F","","","0.71073","MoKα","","0.073","0.0436","","","0.0925","0.1083","","","","","","1.034","","","","has coordinates,has disorder","219096","2020-10-21","18:00:00",""
"7234379","24.221","0.005","16.6","0.003","16.512","0.003","90","","97.76","0.02","90","","6578","2","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Fe2 Mn Mo6 N14 O32 -","- C38 H44 Fe2 Mn Mo6 N14 O32 -","- C152 H176 Fe8 Mn4 Mo24 N56 O128 -","4","0.5","","Alexandre Abherve; Mario Palacios-Corella; Juan Modesto Clemente-Juan; Raphael Marx; Petr Neugebauer; Joris van Slageren; Miguel Clemente-Leon; Eugenio Coronado","Bimetallic MnIII-FeII hybrid complexes formed by a functionalized MnIII Anderson polyoxometalate coordinated to FeII: observation of a field-induced slow relaxation of magnetization in the MnIII centres and a photoinduced spin-crossover in the FeII centres","Journal of Materials Chemistry C","2015","3","","7936","7945","10.1039/C5TC01089F","","","0.71073","MoKα","","0.1679","0.0953","","","0.2401","0.3045","","","","","","0.991","","","","has coordinates","219096","2020-10-21","18:00:00",""
"7234380","15.629","0.004","48.792","0.011","3.6419","0.0008","90","","90","","90","","2777.2","1.1","400","","400","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0319","","","","0.0837","","","","","","1.083","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234381","15.621","0.004","48.764","0.011","3.6313","0.0008","90","","90","","90","","2766.1","1.1","380","","380","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0305","","","","0.0814","","","","","","1.108","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234382","15.611","0.004","48.719","0.011","3.6202","0.0008","90","","90","","90","","2753.4","1.1","360","","360","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0304","","","","0.0783","","","","","","1.103","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234383","15.606","0.003","7.2187","0.0014","25.57","0.006","90","","107.761","0.003","90","","2743.3","1","340","","340","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0466","","","","0.1365","","","","","","1.069","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234384","15.588","0.003","7.1986","0.0012","25.549","0.005","90","","107.737","0.002","90","","2730.6","0.9","320","","320","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0417","","","","0.1179","","","","","","1.046","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234385","15.576","0.003","7.1808","0.0011","25.536","0.004","90","","107.707","0.0019","90","","2720.8","0.8","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0505","","","","0.1383","","","","","","1.066","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234386","15.563","0.003","7.1651","0.0011","25.523","0.004","90","","107.672","0.0018","90","","2711.8","0.8","280","","280","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0604","","","","0.1716","","","","","","1.102","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234387","15.558","0.002","7.1462","0.0009","25.511","0.004","90","","107.67","0.002","90","","2702.5","0.6","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.067","","","","0.1939","","","","","","1.093","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234388","15.537","0.002","7.1191","0.0008","25.488","0.004","90","","107.686","0.0018","90","","2686","0.6","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0747","","","","0.2038","","","","","","1.119","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234389","15.519","0.002","7.0945","0.0009","25.462","0.003","90","","107.683","0.0013","90","","2670.9","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0762","","","","0.2199","","","","","","1.12","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234390","6.9855","0.0008","14.6481","0.0017","29.888","0.003","90","","94.743","0.002","90","","3047.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 O Pt -","- C36 H39 N3 O Pt -","- C144 H156 N12 O4 Pt4 -","4","1","","Bin Wang; Feng Liang; Hailiang Hu; Yuan Liu; Zhenhui Kang; Liang-Sheng Liao; Jian Fan","Strongly phosphorescent platinum(ii) complexes supported by tetradentate benzazole-containing ligands","Journal of Materials Chemistry C","2015","3","","8212","8218","10.1039/C5TC01449B","","","0.71073","MoKα","","0.0893","0.0521","","","0.0992","0.1067","","","","","","1.012","","","","has coordinates","219098","2020-10-21","18:00:00",""
"7234397","11.083","0.003","11.083","0.003","5.5752","0.0017","90","","90","","90","","684.8","0.3","301","2","301","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ru0.64 Sb2.36 Zr5 -","- Ru0.642 Sb2.358 Zr5 -","- Ru2.568 Sb9.432 Zr20 -","4","0.125","","Weiwei Xie; Huixia Luo; Brendan F. Phelan; Robert J. Cava","Zr5Sb3-xRux, a new superconductor in the W5Si3 structure type","Journal of Materials Chemistry C","2015","3","","8235","8240","10.1039/C5TC01818H","","","0.71073","MoKα","","0.0121","0.01","","","0.0195","0.0198","","","","","","1.175","","","","has coordinates","219115","2020-10-21","18:00:00",""
"7234398","8.148","0.0012","8.148","0.0012","9.394","0.0019","90","","90","","120","","540.11","0.16","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Au7 Sn3 Y3 -","- Au7 Sn3 Y3 -","- Au14 Sn6 Y6 -","2","0.166667","","Alessia Provino; Simon Steinberg; Volodymyr Smetana; Ruta Kulkarni; Sudesh K. Dhar; Pietro Manfrinetti; Anja-Verena Mudring","Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties","Journal of Materials Chemistry C","2015","3","","8311","8321","10.1039/C5TC00884K","","","0.71073","MoKα","","0.0455","0.0295","","","0.0597","0.0645","","","","","","1.049","","","","has coordinates","219116","2020-10-21","18:00:00",""
"7234399","8.185","0.003","8.185","0.003","9.415","0.003","90","","90","","120","","546.2","0.3","296","2","296","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Au7 Gd3 Sn3 -","- Au7 Gd3 Sn3 -","- Au14 Gd6 Sn6 -","2","0.166667","","Alessia Provino; Simon Steinberg; Volodymyr Smetana; Ruta Kulkarni; Sudesh K. Dhar; Pietro Manfrinetti; Anja-Verena Mudring","Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties","Journal of Materials Chemistry C","2015","3","","8311","8321","10.1039/C5TC00884K","","","0.71073","MoKα","","0.0394","0.0295","","","0.0593","0.0622","","","","","","1.096","","","","has coordinates","219116","2020-10-21","18:00:00",""
"7234400","34.743","0.007","6.907","0.0014","16.066","0.003","90","","110.18","0.03","90","","3618.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","1","","P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony","Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning","Journal of Materials Chemistry C","2015","3","","8381","8388","10.1039/C5TC01369K","","","0.60999","synchrotron","","0.0405","0.0383","","","0.1068","0.1085","","","","","","1.035","","","","has coordinates","219118","2020-10-21","18:00:00",""
"7234401","16.858","0.003","12.594","0.003","17.493","0.004","90","","98.44","0.03","90","","3673.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","1","","P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony","Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning","Journal of Materials Chemistry C","2015","3","","8381","8388","10.1039/C5TC01369K","","","0.60999","synchrotron","","0.0408","0.0389","","","0.1088","0.1106","","","","","","1.051","","","","has coordinates","219118","2020-10-21","18:00:00",""
"7234402","10.8792","0.0011","13.1682","0.0011","17.0596","0.0018","90","","108.57","0.004","90","","2316.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Eu2 N8 O34 P6 -","- C18 H64 Eu2 N8 O34 P6 -","- C36 H128 Eu4 N16 O68 P12 -","2","0.5","","Min Ren; Carlos D. S. Brites; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A cryogenic luminescent ratiometric thermometer based on a lanthanide phosphonate dimer","Journal of Materials Chemistry C","2015","3","","8480","8484","10.1039/C5TC01468A","","","0.71073","MoKα","","0.0874","0.0437","","","0.0552","0.0609","","","","","","0.961","","","","has coordinates","219119","2020-10-21","18:00:00",""
"7234403","10.8448","0.0008","13.1903","0.001","16.9763","0.0015","90","","108.512","0.002","90","","2302.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 N8 O34 P6 Tb2 -","- C18 H64 N8 O34 P6 Tb2 -","- C36 H128 N16 O68 P12 Tb4 -","2","0.5","","Min Ren; Carlos D. S. Brites; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A cryogenic luminescent ratiometric thermometer based on a lanthanide phosphonate dimer","Journal of Materials Chemistry C","2015","3","","8480","8484","10.1039/C5TC01468A","","","0.71073","MoKα","","0.0854","0.0412","","","0.0623","0.0722","","","","","","1.012","","","","has coordinates","219119","2020-10-21","18:00:00",""
"7234404","7.2645","0.0002","17.091","0.004","6.6772","0.0002","90","","90","","90","","829","0.2","328","2","328","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0343","0.0296","","","0.0853","0.0895","","","","","","1.018","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234405","7.196","0.0002","17.075","0.004","6.6494","0.0005","90","","90","","90","","817","0.2","253","2","253","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0272","0.0242","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234406","17.083","0.004","7.1446","0.0003","6.6374","0.0003","90","","90.232","0.002","90","","810.1","0.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.5","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0643","0.0531","","","0.1267","0.1305","","","","","","1.043","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234407","14.0666","0.0003","4.38905","0.00008","11.9563","0.0003","90","","95.3328","0.0007","90","","734.98","0.03","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-diiodoindigo","","- C16 H8 I2 N2 O2 -","- C16 H8 I2 N2 O2 -","- C32 H16 I4 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Kodai Iijima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Takehiko Mori","An iodine effect in ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2015","3","","8612","8617","10.1039/C5TC01023C","","","1.54187","CuKα","","","0.0449","","","","0.1338","","","","","","1.07","","","","has coordinates","219121","2020-10-21","18:00:00",""
"7234408","5.3262","0.0003","13.177","0.0009","34.47","0.002","100.032","0.003","92.318","0.002","95.724","0.003","2366.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 N O6 S3 -","- C46 H49 N O6 S3 -","- C92 H98 N2 O12 S6 -","2","1","","Elumalai Ramachandran; Raghavachari Dhamodharan","Rational design of phenothiazine (PTz) and ethylenedioxythiophene (EDOT) based donor-acceptor compounds with a molecular aggregation breaker for solid state emission in red and NIR regions","Journal of Materials Chemistry C","2015","3","","8642","8648","10.1039/C5TC01423A","","","0.71073","MoKα","","0.1416","0.0793","","","0.2482","0.2921","","","","","","1.062","","","","has coordinates","219122","2020-10-21","18:00:00",""
"7234409","12.725","0.004","19.714","0.006","15.431","0.005","90","","90.046","0.005","90","","3871","2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N4 O2 S2 -","- C24 H14 N4 O2 S2 -","- C192 H112 N32 O16 S16 -","8","2","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.1277","0.0677","","","0.1682","0.209","","","","","","0.951","","","","has coordinates","219123","2020-10-21","18:00:00",""
"7234410","16.1783","0.0017","11.4535","0.0013","15.8616","0.0017","90","","103.364","0.002","90","","2859.5","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O2 S4 -","- C32 H26 N4 O2 S4 -","- C128 H104 N16 O8 S16 -","4","1","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.0665","0.0456","","","0.1129","0.1287","","","","","","1.031","","","","has coordinates","219123","2020-10-21","18:00:00",""
"7234411","9.77","0.002","16.009","0.004","18.723","0.004","90","","97.167","0.004","90","","2905.5","1.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O2 S4 -","- C32 H26 N4 O2 S4 -","- C128 H104 N16 O8 S16 -","4","1","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.1676","0.0727","","","0.1637","0.2165","","","","","","1.007","","","","has coordinates","219123","2020-10-21","18:00:00",""
"7234412","15.5673","0.0006","16.1758","0.0006","24.8869","0.001","102.37","0.002","91.285","0.002","115.542","0.002","5476.1","0.4","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-(dodecakis(μ~2~-cyano)-dodecacyano- hexakis(bis(3-aminopropyl)amine)-hexa- copper(II)-tri-molybdenum(IV) water solvate)","","- C60 H118 Cu6 Mo3 N42 O8 -","- C60 H118 Cu6 Mo3 N42 O8 -","- C120 H236 Cu12 Mo6 N84 O16 -","2","1","","Olaf Stefanczyk; Anna M. Majcher; Michaf Rams; Wojciech Nitek; Corine Mathoniere; Barbara Sieklucka","Photo-induced magnetic properties of the [CuII(bapa)]2[MoIV(CN)8].7H2O molecular ribbon","Journal of Materials Chemistry C","2015","3","","8712","8719","10.1039/C5TC01889G","","x-ray","0.71073","MoKα","","0.0661","0.0485","","","0.1478","0.1551","","","","","","1.119","","","","has coordinates","219124","2020-10-21","18:00:00",""
"7234413","10.303","0.002","7.5885","0.0015","26.33","0.005","90","","97.75","0.03","90","","2039.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 S -","- C27 H18 N2 S -","- C108 H72 N8 S4 -","4","1","","Jiabao Sun; Pengchong Xue; Jingbo Sun; Peng Gong; Panpan Wang; Ran Lu","Strong blue emissive nanofibers constructed from benzothizole modified tert-butyl carbazole derivative for the detection of volatile acid vapors","Journal of Materials Chemistry C","2015","3","","8888","8894","10.1039/C5TC02012C","","","0.71073","MoKα","","0.2044","0.0985","","","0.2299","0.2844","","","","","","1.048","","","","has coordinates","219125","2020-10-21","18:00:00",""
"7234414","22.612","0.003","11.4854","0.0013","20.156","0.002","90","","99.16","0.002","90","","5167.9","1","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N4 O8 S2 -","- C58.004 H56.004 N4 O8 S2 -","- C232.016 H224.016 N16 O32 S8 -","4","0.5","","Arthur D. Hendsbee; Seth M. McAfee; Jon-Paul Sun; Theresa M. McCormick; Ian G. Hill; Gregory C. Welch","Phthalimide-based pi-conjugated small molecules with tailored electronic energy levels for use as acceptors in organic solar cells","Journal of Materials Chemistry C","2015","3","","8904","8915","10.1039/C5TC01877C","","","0.71073","MoKα","","0.0918","0.0556","","","0.1422","0.1623","","","","","","1.038","","","","has coordinates,has disorder","287940","2023-12-01","17:20:58",""
"7234415","13.8929","0.0001","8.6826","0.0001","24.1422","0.0002","90","","106.572","0.0004","90","","2791.23","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C128 H144 S8 Si4 -","4","1","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","0.71073","MoKα","","0.0955","0.0686","","","0.1991","0.2216","","","","","","1.14","","","","has coordinates,has disorder","219127","2020-10-21","18:00:00",""
"7234416","13.9118","0.0001","8.7857","0.0001","23.9007","0.0002","90","","105.83","0.0003","90","","2810.48","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C128 H144 S8 Si4 -","4","1","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","0.71073","MoKα","","0.0993","0.0743","","","0.2189","0.2438","","","","","","1.085","","","","has coordinates,has disorder","219127","2020-10-21","18:00:00",""
"7234417","18.6511","0.0005","19.2711","0.0005","16.3771","0.0004","90","","106.356","0.002","90","","5648.2","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C256 H288 S16 Si8 -","8","2","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","1.54178","CuKα","","0.1265","0.0866","","","0.2408","0.2837","","","","","","1.164","","","","has coordinates,has disorder","219127","2020-10-21","18:00:00",""
"7234418","10.213","0.002","9.1955","0.0018","13.667","0.003","90","","105.03","0.03","90","","1239.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 B F2 N4 O -","- C14 H9 B F2 N4 O -","- C56 H36 B4 F8 N16 O4 -","4","1","","Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao","Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption","Journal of Materials Chemistry C","2015","3","","9048","9052","10.1039/C5TC01770J","","","0.71073","MoKα","","0.0965","0.0749","","","0.2081","0.2461","","","","","","1.049","","","","has coordinates","219128","2020-10-21","18:00:00",""
"7234419","20.522","0.004","5.1557","0.0009","15.049","0.003","90","","97.992","0.002","90","","1576.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 B Cl F2 N4 O5 -","- C14 H10 B Cl F2 N4 O5 -","- C56 H40 B4 Cl4 F8 N16 O20 -","4","1","","Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao","Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption","Journal of Materials Chemistry C","2015","3","","9048","9052","10.1039/C5TC01770J","","","0.71073","MoKα","","0.0492","0.0409","","","0.113","0.1281","","","","","","1.108","","","","has coordinates","219128","2020-10-21","18:00:00",""
"7234420","10.9822","0.0009","17.3332","0.0009","19.1196","0.0008","88.643","0.004","86.828","0.005","81.89","0.005","3597.2","0.4","99.9","0.4","99.9","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 N4 -","- C42 H56 N4 -","- C168 H224 N16 -","4","2","","Zhiming Wang; Han Nie; Zhenqiang Yu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Multiple stimuli-responsive and reversible fluorescence switches based on a diethylamino-functionalized tetraphenylethene","Journal of Materials Chemistry C","2015","3","","9103","9111","10.1039/C5TC02069G","","x-ray","1.5418","CuKα","","0.0865","0.0475","","","0.0829","0.0936","","","","","","1.002","","","","has coordinates","219129","2020-10-21","18:00:00",""
"7234421","8.7524","0.0005","8.7836","0.0005","14.982","0.0008","98.91","0.002","98.117","0.002","92.599","0.002","1123.82","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N8 Se -","- C22 H26 N8 Se -","- C44 H52 N16 Se2 -","2","1","","Zhaojun Liu; Jinghui He; Hao Zhuang; Hua Li; Najun Li; Dongyun Chen; Qingfeng Xu; Jianmei Lu; Keqin Zhang; Lihua Wang","Effect of single atom substitution in benzochalcogendiazole acceptors on the performance of ternary memory devices","Journal of Materials Chemistry C","2015","3","","9145","9153","10.1039/C5TC02274F","","","0.71073","Mokα","","0.0843","0.0603","","","0.1696","0.2001","","","","","","0.795","","","","has coordinates,has disorder","219130","2020-10-21","18:00:00",""
"7234422","10.9996","0.0004","15.5466","0.0007","20.7794","0.001","97.458","0.003","104.211","0.003","109.487","0.003","3159","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H32 N4 -","- C44 H32 N4 -","- C176 H128 N16 -","4","2","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.2432","0.078","","","0.1405","0.2041","","","","","","0.905","","","","has coordinates","219131","2020-10-21","18:00:00",""
"7234423","6.3955","0.0013","19.271","0.004","28.78","0.006","90","","93.751","0.006","90","","3539.5","1.3","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 N4 -","- C46 H36 N4 -","- C184 H144 N16 -","4","1","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.2386","0.0827","","","0.1344","0.1827","","","","","","0.977","","","","has coordinates","219131","2020-10-21","18:00:00",""
"7234424","16.7483","0.0017","8.8132","0.0011","28.185","0.003","90","","95.889","0.003","90","","4138.3","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H36 Cl2 N4 O2 -","- C52.999 H35.998 Cl1.998 N4 O2 -","- C211.996 H143.992 Cl7.992 N16 O8 -","4","1","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.1935","0.0925","","","0.2623","0.3381","","","","","","1.071","","","","has coordinates,has disorder","219131","2020-10-21","18:00:00",""
"7234425","8.785","0.002","8.785","0.002","57.646","0.013","90","","90","","90","","4448.9","1.7","110","2","110.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1153","0.0991","","","0.3183","0.3402","","","","","","1.509","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234426","8.715","0.002","8.715","0.002","57.026","0.016","90","","90","","90","","4331.2","1.9","150.15","","150.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1175","0.0997","","","0.3001","0.3178","","","","","","1.153","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234427","8.73","0.004","8.73","0.004","57","0.02","90","","90","","90","","4344","3","180.15","","180.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1663","0.1442","","","0.4238","0.4372","","","","","","1.858","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234428","8.888","0.012","8.888","0.012","57.91","0.08","90","","90","","90","","4575","11","300.15","","300.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1894","0.1643","","","0.4576","0.4708","","","","","","1.928","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234429","8.911","0.005","13.921","0.008","24.708","0.015","74.249","0.007","81.736","0.008","85.755","0.007","2917","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0759","0.0508","","","0.1228","0.1379","","","","","","1.058","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234430","8.941","0.007","13.99","0.011","24.828","0.019","74.116","0.009","82.082","0.01","85.91","0.01","2957","4","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0607","0.0461","","","0.1388","0.156","","","","","","1.091","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234431","8.981","0.003","13.924","0.004","24.722","0.008","74.006","0.011","81.94","0.011","85.735","0.012","2940.4","1.6","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.058","0.0446","","","0.1187","0.1287","","","","","","1.049","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234432","8.986","0.004","13.909","0.006","24.825","0.011","105.759","0.006","95.448","0.006","94.088","0.006","2957","2","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C67.61 H43 Co N17 O1.25 -","- C67.61 H43 Co N17 O1.249 -","- C135.22 H86 Co2 N34 O2.498 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0871","0.0475","","","0.1011","0.1195","","","","","","1.024","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234433","8.939","0.003","13.632","0.005","24.204","0.008","76.313","0.004","81.95","0.004","87.007","0.004","2836.9","1.7","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_MeCN_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane acetonitrile methanol","","- C67 H43 Co N17 O -","- C67 H43 Co N17 O -","- C134 H86 Co2 N34 O2 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0676","0.0502","","","0.1186","0.1254","","","","","","1.027","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234449","15.4693","0.0008","7.186","0.0003","17.5613","0.0008","90","","111.307","0.005","90","","1818.72","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.1026","0.0516","","","0.1112","0.1368","","","","","","1.005","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234450","5.1722","0.0004","11.517","0.0011","38.904","0.003","90","","93.669","0.007","90","","2312.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","XB co-crystal","","","- C26 H21 F2 I N3 O2 -","- C26 H21 F2 I N3 O2 -","- C104 H84 F8 I4 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2418","0.0836","","","0.0897","0.1215","","","","","","0.97","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234451","12.4319","0.0013","4.7462","0.0005","31.791","0.003","90","","100.259","0.009","90","","1845.8","0.3","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C46 H42 N6 O4 -","- C46 H42 N6 O4 -","- C92 H84 N12 O8 -","2","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2153","0.064","","","0.1263","0.1782","","","","","","0.969","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234452","39.688","0.004","7.41","0.0007","31.521","0.003","90","","93.019","0.008","90","","9257.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 F4 I2 N6 O4 -","- C52 H42 F4 I2 N6 O4 -","- C416 H336 F32 I16 N48 O32 -","8","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.259","0.0882","","","0.1057","0.1534","","","","","","0.952","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234453","30.652","0.005","5.3082","0.0009","11.243","0.002","90","","90","","90","","1829.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2245","0.0663","","","0.0764","0.1116","","","","","","0.922","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234454","7.4142","0.0019","16.069","0.004","15.802","0.005","90","","93.08","0.03","90","","1879.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2948","0.1117","","","0.0936","0.1365","","","","","","1.033","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234455","12.989","0.005","13.783","0.005","12.664","0.005","90","","92.047","0.005","90","","2265.8","1.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F2 I N3 O2 -","- C26 H21 F2 I N3 O2 -","- C104 H84 F8 I4 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.0719","0.0426","","","0.0625","0.0738","","","","","","1.028","","","","has coordinates","219153","2020-10-21","18:00:00",""
"7234456","45.0597","0.0017","45.0597","0.0017","9.1311","0.0003","90","","90","","120","","16055.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H10 N O2 P -","- C12.0938 H8.4375 N0.84375 O0.28125 P0.28125 -","- C774 H540 N54 O18 P18 -","64","3.55556","","Mingzhi Sun; Liping Zhu; Wenjing Kan; Ying Wei; Dongge Ma; Xuefeng Fan; Wei Huang; Hui Xu","Ternary donor-acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence","Journal of Materials Chemistry C","2015","3","","9469","9478","10.1039/C5TC02029H","","","0.71073","MoKα","","0.0818","0.0623","","","0.172","0.1882","","","","","","1.032","","","","has coordinates","219154","2020-10-21","18:00:00",""
"7234457","7.632","0.0011","8.1788","0.0011","12.7931","0.0017","90","","90","","90","","798.55","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl3 F2 K2 Sb -","- Cl3 F2 K2 Sb -","- Cl12 F8 K8 Sb4 -","4","1","","Yin Huang; Xianggao Meng; Pifu Gong; Zheshuai Lin; Xingguo Chen; Jingui Qin","A study on K2SbF2Cl3 as a new mid-IR nonlinear optical material: new synthesis and excellent properties","Journal of Materials Chemistry C","2015","3","","9588","9593","10.1039/C5TC01687H","","","0.71073","MoKα","","0.0282","0.0241","","","0.0381","0.0398","","","","","","1.013","","","","has coordinates","219155","2020-10-21","18:00:00",""
"7234458","7.4769","0.0008","18.5766","0.0019","6.759","0.0007","90","","90","","90","","938.79","0.17","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag As8 Ba4 Ga5 -","- Ag As8 Ba4 Ga5 -","- Ag2 As16 Ba8 Ga10 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0213","0.0207","","","0.0496","0.0499","","","","","","1.172","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234459","7.294","0.009","18.03","0.02","6.557","0.008","90","","90","","90","","862.3","1.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag Ba4 Ga5 P8 -","- Ag Ba4 Ga5 P8 -","- Ag2 Ba8 Ga10 P16 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0488","0.045","","","0.1177","0.1211","","","","","","1.122","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234460","8.9757","0.0002","9.3007","0.0002","13.5937","0.0003","101.458","0.001","97.316","0.001","106.577","0.001","1045.31","0.04","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H33 Cl3 O4 S4 -","- C51 H33 Cl3 O4 S4 -","- C51 H33 Cl3 O4 S4 -","1","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0432","0.0359","","","0.0839","0.093","","","","","","1.048","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234461","7.072","0.0003","19.5933","0.0009","24.3261","0.0011","90","","90","","90","","3370.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N2 S -","- C23 H14 N2 S -","- C184 H112 N16 S8 -","8","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0515","0.0374","","","0.1012","0.1211","","","","","","1.11","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234462","8.8667","0.0003","11.8588","0.0003","15.4264","0.0004","112.252","0.001","95.204","0.001","94.286","0.001","1484.57","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N O2 S -","- C31 H21 N O2 S -","- C62 H42 N2 O4 S2 -","2","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0792","0.0667","","","0.1868","0.194","","","","","","1.111","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234463","7.7816","0.0005","17.2667","0.0011","21.65","0.0013","90","","92.164","0.003","90","","2906.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Cl6 N3 -","- C31 H21 Cl6 N3 -","- C124 H84 Cl24 N12 -","4","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","","0.71073","MoKα","","0.0632","0.0446","","","0.1185","0.1324","","","","","","1.054","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234464","8.5755","0.0006","10.4262","0.0006","11.8511","0.0008","82.589","0.003","88.377","0.003","89.054","0.003","1050.24","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C58 H42 N6 O2 -","2","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0689","0.0478","","","0.1194","0.1424","","","","","","1.097","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234465","26.4588","0.0006","20.8628","0.0006","24.7745","0.0007","90","","109.148","0.002","90","","12919","0.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H158 Dy N24 Tb -","- C150 H158 Dy N24 Tb -","- C600 H632 Dy4 N96 Tb4 -","4","1","","Yanhua Lan; Svetlana Klyatskaya; Mario Ruben; Olaf Fuhr; Wolfgang Wernsdorfer; Andrea Candini; Valdis Corradini; Alberto Lodi Rizzini; Umberto del Pennino; Filippo Troiani; Loic Joly; David Klar; Heiko Wende; Marco Affronte","Magnetic interplay between two different lanthanides in a tris-phthalocyaninato complex: a viable synthetic route and detailed investigation in the bulk and on the surface","Journal of Materials Chemistry C","2015","3","","9794","9801","10.1039/C5TC02011E","","","0.71073","MoKα","","0.0824","0.0392","","","0.0865","0.0961","","","","","","0.849","","","","has coordinates,has disorder","219158","2020-10-21","18:00:00",""
"7234466","8.4034","0.0015","27.567","0.005","4.6422","0.0008","90","","90","","90","","1075.4","0.3","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ba2 Sb2 Se5 -","- Ba2 Sb2 Se5 -","- Ba8 Sb8 Se20 -","4","0.5","","Jian Wang; Kathleen Lee; Kirill Kovnir","Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11","Journal of Materials Chemistry C","2015","3","","9811","9818","10.1039/C5TC01721A","","","0.71073","MoKα","","0.0423","0.0313","","","0.0607","0.0655","","","","","","1.062","","","","has coordinates","219159","2020-10-21","18:00:00",""
"7234467","12.4691","0.0015","62.421","0.007","4.6305","0.0005","90","","90","","90","","3604.1","0.7","90","2","90","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ba6 Sb7 Se16.11 -","- Ba6 Sb7.001 Se16.116 -","- Ba24 Sb28.004 Se64.464 -","4","0.5","","Jian Wang; Kathleen Lee; Kirill Kovnir","Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11","Journal of Materials Chemistry C","2015","3","","9811","9818","10.1039/C5TC01721A","","","0.71073","MoKα","","0.0511","0.0355","","","0.0606","0.0655","","","","","","1.069","","","","has coordinates","219159","2020-10-21","18:00:00",""
"7234468","10.1577","0.0004","10.6488","0.0004","17.1688","0.0006","84.169","0.002","88.405","0.002","63.987","0.002","1660.04","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H92 N4 O2 Si4 -","- C70 H92 N4 O2 Si4 -","- C70 H92 N4 O2 Si4 -","1","0.5","","Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang","N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors","Journal of Materials Chemistry C","2015","3","","9877","9884","10.1039/C5TC02010G","","","0.71073","MoKα","","0.1538","0.0772","","","0.1969","0.2499","","","","","","1.04","","","","has coordinates","219160","2020-10-21","18:00:00",""
"7234469","7.9319","0.0008","14.4277","0.0012","18.4216","0.0016","110.316","0.003","97.166","0.003","101.674","0.003","1892","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H102 N6 O2 Si4 -","- C82 H102 N6 O2 Si4 -","- C82 H102 N6 O2 Si4 -","1","0.5","","Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang","N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors","Journal of Materials Chemistry C","2015","3","","9877","9884","10.1039/C5TC02010G","","","0.71073","MoKα","","0.1398","0.0611","","","0.1056","0.1346","","","","","","0.993","","","","has coordinates","219160","2020-10-21","18:00:00",""
"7234471","9.4209","0.0006","12.0079","0.0011","21.6114","0.0018","75.523","0.008","85.392","0.006","73.484","0.007","2269.4","0.3","293","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H7.2 N0.4 -","- C11 H7.2 N0.4 -","- C110 H72 N4 -","10","5","","Thaksen Jadhav; Bhausaheb Dhokale; Shaikh M. Mobin; Rajneesh Misra","Aggregation induced emission and mechanochromism in pyrenoimidazoles","Journal of Materials Chemistry C","2015","3","","9981","9988","10.1039/C5TC02181B","","","1.5418","CuKα","","0.1268","0.1041","","","0.3147","0.3349","","","","","","1.153","","","","has coordinates","219161","2020-10-21","18:00:00",""
"7234472","6.055","0.003","9.804","0.004","13.814","0.002","90.34","","94.2","","103.93","","793.6","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1232","0.0494","","","0.0931","0.109","","","","","","1.015","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234473","6.668","0.002","11.794","0.003","28.968","0.009","90","","90.446","0.005","90","","2278","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 B4 O8 -","- C46 H62 B4 O8 -","- C92 H124 B8 O16 -","2","0.5","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1003","0.0757","","","0.1694","0.1804","","","","","","1.056","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234474","23.161","0.013","9.844","0.006","4.833","0.003","90","","90","","90","","1101.9","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H9 I -","- C14 H9 I -","- C56 H36 I4 -","4","0.5","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.0349","0.0334","","","0.0778","0.0789","","","","","","1.019","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234475","9.831","0.005","9.58","0.004","10.09","0.003","90","","105.875","0.019","90","","914","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 S2 -","- C22 H16 S2 -","- C44 H32 S4 -","2","1","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1483","0.1002","","","0.2058","0.2281","","","","","","1.07","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234476","9.805","0.015","13.501","0.018","13.18","0.02","90","","106.35","0.03","90","","1674","4","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Karattu Chali Naeem; Akhila Subhakumari; Sunil Varughese; Vijayakumar C. Nair","Heteroatom induced contrasting effects on the stimuli responsive properties of anthracene based donor-pi-acceptor fluorophores","Journal of Materials Chemistry C","2015","3","","10225","10231","10.1039/C5TC02062J","","","0.71073","MoKα","","0.1307","0.061","","","0.1466","0.1886","","","","","","0.759","","","","has coordinates","219163","2020-10-21","18:00:00",""
"7234477","9.853","0.014","14.006","0.019","12.99","0.02","90","","107.08","0.02","90","","1714","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N S -","- C23 H15 N S -","- C92 H60 N4 S4 -","4","1","","Karattu Chali Naeem; Akhila Subhakumari; Sunil Varughese; Vijayakumar C. Nair","Heteroatom induced contrasting effects on the stimuli responsive properties of anthracene based donor-pi-acceptor fluorophores","Journal of Materials Chemistry C","2015","3","","10225","10231","10.1039/C5TC02062J","","","0.71073","MoKα","","0.1057","0.0811","","","0.2107","0.2467","","","","","","1.12","","","","has coordinates","219163","2020-10-21","18:00:00",""
"7234478","11.128","0.0003","8.6691","0.0002","21.0368","0.0004","90","","97.996","0.002","90","","2009.68","0.08","292.14","0.1","292.14","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br N2 O3 -","- C23 H15 Br N2 O3 -","- C92 H60 Br4 N8 O12 -","4","1","","Rong Zheng; Xiaofei Mei; Zhenghuan Lin; Yan Zhao; Huimei Yao; Wei Lv; Qidan Ling","Strong CIE activity, multi-stimuli-responsive fluorescence and data storage application of new diphenyl maleimide derivatives","Journal of Materials Chemistry C","2015","3","","10242","10248","10.1039/C5TC02374B","","x-ray","1.54184","CuKα","","0.06","0.0472","","","0.1321","0.149","","","","","","1.0428","","","","has coordinates","219164","2020-10-21","18:00:00",""
"7234479","5.6898","0.000033","5.6898","0.000033","11.31972","0.000097","90","","90","","90","","366.463","0.004","298","","298","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2.1 Fe0.9 Se4 Sn -","- Cu2.1 Fe0.9 Se4 Sn -","- Cu4.2 Fe1.8 Se8 Sn2 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.02003","","2.004","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234480","5.692729","0.000042","5.692729","0.000042","11.29822","0.00012","90","","90","","90","","366.143","0.005","298","","298","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2.2 Fe0.8 Se4 Sn -","- Cu2.2 Fe0.8 Se4 Sn -","- Cu4.4 Fe1.6 Se8 Sn2 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.01945","","1.606","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234481","5.682492","0.000046","5.682492","0.000046","11.32378","0.00014","90","","90","","90","","365.653","0.006","298","","298","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Fe0.6 Se4 Sn Zn0.2 -","- Cu2.2 Fe0.6 Se4 Sn Zn0.2 -","- Cu4.4 Fe1.2 Se8 Sn2 Zn0.4 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.0262","","1.546","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234482","8.9166","0.0003","8.9166","0.0003","8.9166","0.0003","90","","90","","90","","708.92","0.04","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","GeTe-doped cobalt antimonide","","","- Co Ge0.74 Sb1.53 Te0.74 -","- Co Ge0.741 Sb1.53 Te0.741 -","- Co8 Ge5.928 Sb12.24 Te5.928 -","8","0.166667","","Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler","Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples","Journal of Materials Chemistry C","2015","3","","10525","10533","10.1039/C5TC01509J","","","0.2946","synchrotron","","0.0475","0.0353","","","0.0804","0.0827","","","","","","1.202","","","","has coordinates","219190","2020-10-21","18:00:00",""
"7234483","4.2348","0.0011","4.2348","0.0011","10.373","0.003","90","","90","","120","","161.1","0.08","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","germanium antimony telluride","","","- Ge0.77 Sb0.15 Te -","- Ge0.7693 Sb0.1538 Te -","- Ge2.3079 Sb0.4614 Te3 -","3","0.166667","","Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler","Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples","Journal of Materials Chemistry C","2015","3","","10525","10533","10.1039/C5TC01509J","","","0.2946","synchrotron","","0.0314","0.0314","","","0.0885","0.0885","","","","","","1.055","","","","has coordinates","219190","2020-10-21","18:00:00",""
"7234484","8.2025","0.0016","6.0189","0.0012","15.347","0.003","90","","90.94","0.03","90","","757.6","0.3","173.15","","173.15","","","","","","","","","2","P 1 21 1","P 2yb","4","NaAnt","2-(2-naphthyl) anthracene","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Jie Li; Jie Liu; Yonggang Zhen; Lingqiang Meng; Ying Wang; Huanli Dong; Wenping Hu","Naphthyl substituted anthracene combining charge transport with light emission","Journal of Materials Chemistry C","2015","3","","10695","10698","10.1039/C5TC02254A","","","0.71073","MoKα","","0.0796","0.0717","","","0.167","0.1725","","","","","","1.12","","","","has coordinates,has disorder","219191","2020-10-21","18:00:00",""
"7234485","11.3477","0.0011","17.9505","0.0016","19.3631","0.0018","90","","95.698","0.002","90","","3924.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl4 F6 N6 Pt -","- C38 H34 Cl4 F6 N6 Pt -","- C152 H136 Cl16 F24 N24 Pt4 -","4","1","","Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi","Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs","Journal of Materials Chemistry C","2015","3","","10837","10847","10.1039/C5TC02261D","","","0.71073","MoKα","","0.0609","0.0444","","","0.1174","0.1268","","","","","","1.045","","","","has coordinates","219192","2020-10-21","18:00:00",""
"7234486","14.7879","0.0006","18.8945","0.0007","23.5291","0.001","90","","90","","90","","6574.3","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cl2 F6 N6 Pt -","- C30 H34 Cl2 F6 N6 Pt -","- C240 H272 Cl16 F48 N48 Pt8 -","8","1","","Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi","Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs","Journal of Materials Chemistry C","2015","3","","10837","10847","10.1039/C5TC02261D","","","0.71073","MoKα","","0.0535","0.037","","","0.081","0.0879","","","","","","1.043","","","","has coordinates,has disorder","219192","2020-10-21","18:00:00",""
"7234487","7.4707","0.0012","5.9227","0.001","42.784","0.007","90","","92.76","0.003","90","","1890.9","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 S3 -","- C23.996 H10 S2.996 -","- C95.984 H40 S11.984 -","4","1","","Wenjing Yi; Shuai Zhao; Huiliang Sun; Yuhe Kan; Jianwu Shi; Shisheng Wan; Chunli Li; Hua Wang","Isomers of organic semiconductors based on dithienothiophenes: the effect of sulphur atoms positions on the intermolecular interactions and field-effect performances","Journal of Materials Chemistry C","2015","3","","10856","10861","10.1039/C5TC02287H","","","0.71073","MoKα","","0.1263","0.0742","","","0.2073","0.2533","","","","","","1.013","","","","has coordinates,has disorder","219193","2020-10-21","18:00:00",""
"7234488","10.1449","0.0014","10.1449","0.0014","9.249","0.0018","90","","90","","120","","824.4","0.2","153.15","0.02","153.15","0.02","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Se6 Sn -","- Ba Ga2.01 Se6 Sn0.99 -","- Ba3 Ga6.03 Se18 Sn2.97 -","3","0.333333","","Xiaoshuang Li; Chao Li; Pifu Gong; Zheshuai Lin; Jiyong Yao; Yicheng Wu","BaGa2SnSe6: a new phase-matchable IR nonlinear optical material with strong second harmonic generation response","Journal of Materials Chemistry C","2015","3","","10998","11004","10.1039/C5TC02337H","","","0.71073","MoKα","","0.0246","0.0228","","","0.0408","0.0413","","","","","","0.793","","","","has coordinates","219194","2020-10-21","18:00:00",""
"7234489","16.873","0.003","25.268","0.005","10.68","0.002","90","","119.457","0.002","90","","3964.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 Cu N O4 -","- C19 H30 Cu N O4 -","- C152 H240 Cu8 N8 O32 -","8","1","","Norbani Abdullah; Rauzah Hashim; Lailatun Nazirah Ozair; Yasameen Al-Hakem; Habibah Samsudin; Anita Marlina; Malinda Salim; Suhana Mohd. Said; Balamurugan Subramanian; Abdul Rahman Nordin","Structural, mesomorphic, photoluminescence and thermoelectric studies of mononuclear and polymeric complexes of copper(ii) with 2-hexyldecanoato and 4,4'-bipyridine ligands","Journal of Materials Chemistry C","2015","3","","11036","11045","10.1039/C5TC02273H","","","0.71073","MoKα","","0.0778","0.045","","","0.1049","0.1207","","","","","","1","","","","has coordinates","219195","2020-10-21","18:00:00",""
"7234490","11.8993","0.0008","8.4256","0.0003","42.389","0.002","90","","93.892","0.005","90","","4240.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H69 Cu0.5 N2 O4 -","- C41 H69 Cu0.5 N2 O4 -","- C164 H276 Cu2 N8 O16 -","4","1","","Norbani Abdullah; Rauzah Hashim; Lailatun Nazirah Ozair; Yasameen Al-Hakem; Habibah Samsudin; Anita Marlina; Malinda Salim; Suhana Mohd. Said; Balamurugan Subramanian; Abdul Rahman Nordin","Structural, mesomorphic, photoluminescence and thermoelectric studies of mononuclear and polymeric complexes of copper(ii) with 2-hexyldecanoato and 4,4'-bipyridine ligands","Journal of Materials Chemistry C","2015","3","","11036","11045","10.1039/C5TC02273H","","","0.71073","MoKα","","0.1905","0.158","","","0.3499","0.3717","","","","","","1.133","","","","has coordinates","219195","2020-10-21","18:00:00",""
"7234491","17.2701","0.0018","17.2701","0.0018","14.6308","0.0018","90","","90","","120","","3779.1","0.7","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C54 H36 Br45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0354","0.0322","","","0.0669","0.0691","","","","","","1.13","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234492","11.0988","0.0009","11.0988","0.0009","11.0988","0.0009","102.058","0.0004","102.058","0.0004","102.058","0.0004","1261.12","0.18","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0258","0.0203","","","0.0395","0.0409","","","","","","1.013","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234493","11.1579","0.0005","11.1579","0.0005","11.1579","0.0005","101.8","0.001","101.8","0.001","101.8","0.001","1286.32","0.1","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0382","0.0252","","","0.0454","0.0488","","","","","","1.026","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234494","16.9464","0.0013","16.9464","0.0013","14.0495","0.0014","90","","90","","120","","3494.2","0.5","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C54 H36 Cl45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0168","0.0151","","","0.0322","0.0325","","","","","","1.043","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234495","10.8505","0.0005","10.8505","0.0005","10.8505","0.0005","102.632","0.0002","102.632","0.0002","102.632","0.0002","1167.76","0.09","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0145","0.0132","","","0.0295","0.0299","","","","","","1.086","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234496","10.908","0.0007","10.908","0.0007","10.908","0.0007","102.348","0.0003","102.348","0.0003","102.348","0.0003","1191.82","0.13","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0239","0.018","","","0.0343","0.0363","","","","","","1.094","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234497","10.8797","0.0005","10.8797","0.0005","10.8797","0.0005","101.159","0.001","101.159","0.001","101.159","0.001","1203.35","0.1","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0459","0.0476","","","","","","1.033","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234498","10.9429","0.0005","10.9429","0.0005","10.9429","0.0005","100.915","0.001","100.915","0.001","100.915","0.001","1228.45","0.1","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0417","0.0276","","","0.0524","0.0586","","","","","","1.066","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234499","12.2637","0.0004","20.2483","0.0007","6.9828","0.0002","90","","92.168","0.002","90","","1732.72","0.1","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 N4 O Pt -","- C21 H16 F2 N4 O Pt -","- C84 H64 F8 N16 O4 Pt4 -","4","1","","Anurach Poloek; Chieh Wang; Yung-Ting Chang; Chiao-Wen Lin; Chao-Tsen Chen; Chin-Ti Chen","New platinum complexes exhibiting host dependent photoluminescence as single dopants in double emitting layer, voltage independent hybrid white electroluminescence devices","Journal of Materials Chemistry C","2015","3","","11163","11177","10.1039/C5TC02523K","","","0.71073","MoKα","","0.0232","0.0197","","","0.0446","0.046","","","","","","1.099","","","","has coordinates","219198","2020-10-21","18:00:00",""
"7234500","7.1554","0.0006","12.9732","0.0012","14.4038","0.0013","89.276","0.006","82.908","0.005","74.477","0.005","1278.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F2 N4 O3 Pt -","- C32 H22 F2 N4 O3 Pt -","- C64 H44 F4 N8 O6 Pt2 -","2","1","","Anurach Poloek; Chieh Wang; Yung-Ting Chang; Chiao-Wen Lin; Chao-Tsen Chen; Chin-Ti Chen","New platinum complexes exhibiting host dependent photoluminescence as single dopants in double emitting layer, voltage independent hybrid white electroluminescence devices","Journal of Materials Chemistry C","2015","3","","11163","11177","10.1039/C5TC02523K","","","0.71073","MoKα","","0.026","0.0208","","","0.0422","0.044","","","","","","1.049","","","","has coordinates","219198","2020-10-21","18:00:00",""
"7234501","7.571","0.003","13.666","0.005","13.86","0.005","90","","90","","90","","1434","0.9","200","2","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","","","- Br14 Ce4 Cs2 -","- Br14 Ce4 Cs2 -","- Br28 Ce8 Cs4 -","2","0.25","","Yuntao Wu; Hongliang Shi; Bryan C. Chakoumakos; Mariya Zhuravleva; Mao-Hua Du; Charles L. Melcher","Crystal structure, electronic structure, temperature-dependent optical and scintillation properties of CsCe2Br7","Journal of Materials Chemistry C","2015","3","","11366","11376","10.1039/C5TC02721G","","","0.71073","MoKα","","0.0866","0.0724","","","0.2","0.2209","","","","","","1.167","","","","has coordinates","219199","2020-10-21","18:00:00",""
"7234502","12.79416","0.00014","12.79416","0.00014","44.6986","0.0008","90","","90","","90","","7316.74","0.17","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H24 Cl2 Cu N6 O2 -","- C40 H24 Cl2 Cu N6 O2 -","- C320 H192 Cl16 Cu8 N48 O16 -","8","1","","Nan Li; Honglian Feng; Qian Gong; Chunxiao Wu; Hao Zhou; Zhiyan Huang; Jun Yang; Xiaohua Chen; Na Zhao","BINOL-based chiral aggregation-induced emission luminogens and their application in detecting copper(ii) ions in aqueous media","Journal of Materials Chemistry C","2015","3","","11458","11463","10.1039/C5TC02778K","","","1.54184","CuKα","","0.0506","0.0367","","","0.0775","0.0811","","","","","","0.955","","","","has coordinates","219200","2020-10-21","18:00:00",""
"7234503","4.6497","0.0002","6.8344","0.0003","27.9597","0.0012","87.196","0.002","85.342","0.002","74.748","0.002","854.02","0.06","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","1","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0547","0.0443","","","0.1168","0.1222","","","","","","1.081","","","","has coordinates,has disorder","219201","2020-10-21","18:00:00",""
"7234504","4.6352","0.0002","6.6073","0.0002","27.9285","0.0009","92.995","0.002","94.603","0.002","104.495","0.002","823.12","0.05","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","1","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0535","0.0461","","","0.1213","0.1251","","","","","","1.097","","","","has coordinates","219201","2020-10-21","18:00:00",""
"7234505","7.2348","0.0005","4.9094","0.0003","48.847","0.003","90","","93.174","0.004","90","","1732.31","0.19","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O S3 -","- C38 H54 N2 O S3 -","- C76 H108 N4 O2 S6 -","2","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0986","0.0694","","","0.1554","0.1703","","","","","","1.055","","","","has coordinates,has disorder","219201","2020-10-21","18:00:00",""
"7234506","4.642","0.0002","46.2015","0.0016","7.8037","0.0003","90","","96.678","0.003","90","","1662.28","0.11","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C76 H108 N4 O4 S4 -","2","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0589","0.0464","","","0.1113","0.1188","","","","","","1.041","","","","has coordinates","219201","2020-10-21","18:00:00",""
"7234507","16.2431","0.0008","10.5762","0.0003","14.6113","0.0008","90","","101.796","0.004","90","","2457.1","0.2","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Fe N14 O4 -","- C22 H16 Fe N14 O4 -","- C88 H64 Fe4 N56 O16 -","4","0.5","","Kuppusamy Senthil Kumar; Ivan Salitros; Benoit Heinrich; Olaf Fuhr; Mario Ruben","A charge neutral iron(ii) complex with an above room temperature spin crossover (SCO) and hysteresis loop","Journal of Materials Chemistry C","2015","3","","11635","11644","10.1039/C5TC02079D","","x-ray","0.71073","MoKα","","0.0415","0.0305","","","0.0672","0.0709","","","","","","1.044","","","","has coordinates","219202","2020-10-21","18:00:00",""
"7234510","8.134","0.006","8.142","0.007","10.657","0.012","110.13","0.04","93","0.04","98.55","0.03","651.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","1","0.5","","Haitao Wang; Fangyi Chen; Xiaoshi Jia; Huimin Liu; Xia Ran; Mahesh Kumar Ravva; Fu-Quan Bai; Songnan Qu; Min Li; Hong-Xing Zhang; Jean-Luc Bredas","Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2015","3","","11681","11688","10.1039/C5TC02445E","","","0.71073","MoKα","","0.0883","0.0507","","","0.1281","0.1432","","","","","","1.006","","","","has coordinates","219240","2020-10-21","18:00:00",""
"7234511","8.166","0.006","13.066","0.009","14.357","0.014","65.13","0.03","73.59","0.03","86.14","0.03","1330.8","1.9","293","","293","2","","","","","","","","4","P -1","-P 1","2","","2,2-Bis-(4-hexyloxyphenyl)-bi-1,3,4-oxadiazole","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C56 H68 N8 O8 -","2","1","","Haitao Wang; Fangyi Chen; Xiaoshi Jia; Huimin Liu; Xia Ran; Mahesh Kumar Ravva; Fu-Quan Bai; Songnan Qu; Min Li; Hong-Xing Zhang; Jean-Luc Bredas","Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2015","3","","11681","11688","10.1039/C5TC02445E","","","0.71073","MoKα","","0.152","","","","","","","","","","","","","","","has coordinates","219240","2020-10-21","18:00:00",""
"7234512","14.4112","0.0005","19.99","0.0008","20.8193","0.0007","90","","96.156","0.004","90","","5963","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Eu N7 O40 W10 -","- C32.75 H45.25 Eu N6.5 O39.75 W10 -","- C131 H181 Eu4 N26 O159 W40 -","4","1","","De-Feng Shen; Si Li; Hong Liu; Wei Jiang; Qiang Zhang; Guang-Gang Gao","A durable and fast-responsive photochromic and switchable luminescent polyviologen-polyoxometalate hybrid","Journal of Materials Chemistry C","2015","3","","12090","12097","10.1039/C5TC03270A","","","0.71","MoKα","","0.1069","0.0545","","","0.092","0.1096","","","","","","1.003","","","","has coordinates","219241","2020-10-21","18:00:00",""
"7234513","12.0073","0.0007","20.1231","0.0015","23.5367","0.0016","90","","103.435","0.006","90","","5531.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 N4 O45 W12 -","- C15.5 H25.25 N4 O43.5 W12 -","- C62 H101 N16 O174 W48 -","4","1","","De-Feng Shen; Si Li; Hong Liu; Wei Jiang; Qiang Zhang; Guang-Gang Gao","A durable and fast-responsive photochromic and switchable luminescent polyviologen-polyoxometalate hybrid","Journal of Materials Chemistry C","2015","3","","12090","12097","10.1039/C5TC03270A","","","0.71","MoKα","","0.1617","0.0667","","","0.093","0.1188","","","","","","0.956","","","","has coordinates","219241","2020-10-21","18:00:00",""
"7234514","8.3411","0.0004","9.4833","0.0005","14.627","0.0008","95.749","0.001","105.792","0.001","113.993","0.001","987.46","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 B N3 O -","- C25 H18 B N3 O -","- C50 H36 B2 N6 O2 -","2","1","","Yanping Wu; Hua Lu; Sisi Wang; Zhifang Li; Zhen Shen","Asymmetric boron-complexes containing keto-isoindolinyl and pyridyl groups: solvatochromic fluorescence, efficient solid-state emission and DFT calculations","Journal of Materials Chemistry C","2015","3","","12281","12289","10.1039/C5TC03084F","","","0.71073","MoKα","","0.0439","0.0353","","","0.1018","0.1109","","","","","","1.053","","","","has coordinates","219242","2020-10-21","18:00:00",""
"7234515","5.2804","0.0002","20.0535","0.0009","6.907","0.0003","90","","90","","90","","731.39","0.05","25","2","25","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Ba Bi Cl O6 Se2 -","- Ba Bi Cl O6 Se2 -","- Ba4 Bi4 Cl4 O24 Se8 -","4","0.5","","Lei Geng; Qiang Li; Chang-Yu Meng; Kai Dai; Hong-Yan Lu; Chen-Sheng Lin; Wen-Dan Cheng","BaBi(SeO3)2Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions","Journal of Materials Chemistry C","2015","3","","12290","12296","10.1039/C5TC02925B","","","0.71073","MoKα","","0.0216","0.0211","","","0.0658","0.0662","","","","","","0.993","","","","has coordinates","219243","2020-10-21","18:00:00",""
"7234516","9.396","0.005","17.959","0.006","18.69","0.007","79.896","0.014","83.61","0.015","86.117","0.015","3082","2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H31 N O2 -","- C42 H31 N O2 -","- C168 H124 N4 O8 -","4","2","","Yi Wang; Ivan Zhang; Binhong Yu; Xiaofeng Fang; Xing Su; Yu-Mo Zhang; Ting Zhang; Bing Yang; Minjie Li; Sean Xiao-An Zhang","Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes","Journal of Materials Chemistry C","2015","3","","12328","12334","10.1039/C5TC02623G","","","0.71073","MoKα","","0.1355","0.0674","","","0.1864","0.2445","","","","","","0.987","","","","has coordinates,has disorder","219244","2020-10-21","18:00:00",""
"7234517","10.202","0.005","18.97","0.007","13.263","0.005","90","","98.31","0.015","90","","2539.9","1.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","2","","Yi Wang; Ivan Zhang; Binhong Yu; Xiaofeng Fang; Xing Su; Yu-Mo Zhang; Ting Zhang; Bing Yang; Minjie Li; Sean Xiao-An Zhang","Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes","Journal of Materials Chemistry C","2015","3","","12328","12334","10.1039/C5TC02623G","","","0.71073","MoKα","","0.084","0.0539","","","0.1241","0.1391","","","","","","1.018","","","","has coordinates","219244","2020-10-21","18:00:00",""
"7235419","9.8043","0.001","9.8043","0.001","7.4487","0.0011","90","","90","","90","","716","0.15","120","2","120","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Cu4 F4 H4 N O12 P4 -","- Cl Cu4 F4 H4 N O12 P4 -","- Cl2 Cu8 F8 H8 N2 O24 P8 -","2","0.125","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.2178","0.1203","","","0.1817","0.2272","","","","","","1.183","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235422","10.6406","0.0005","15.5529","0.0008","16.8867","0.0012","66.629","0.003","87.281","0.004","81.087","0.003","2534.1","0.3","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C101.5 H67 Ag4 B4 Cl11 F16 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0723","0.0476","","","0.1022","0.114","","","","","","1.023","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235423","10.8963","0.0002","13.6018","0.0004","13.9028","0.0004","109.104","0.003","94.569","0.002","109.486","0.002","1793.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C52 H58 Ag4 Cl4 F24 N14 P4 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0377","0.0325","","","0.0859","0.0902","","","","","","1.044","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235425","8.0993","0.0004","9.7117","0.0004","11.2515","0.0005","87.315","0.003","86.505","0.003","68.644","0.002","822.43","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Ag Cl N4 O4 -","- C17 H14 Ag Cl N4 O4 -","- C34 H28 Ag2 Cl2 N8 O8 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0504","0.0358","","","0.0857","0.0923","","","","","","1.039","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235426","8.568","0.0003","26.1905","0.0008","8.6188","0.0002","90","","95.015","0.002","90","","1926.66","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H14 Ag Cl F6 N4 P -","- C17.5 H14 Ag Cl F6 N4 P -","- C70 H56 Ag4 Cl4 F24 N16 P4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0507","0.0381","","","0.0907","0.0977","","","","","","1.078","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235427","23.76695","0.00015","13.12396","0.00009","25.0971","0.00017","90","","102.564","0.0007","90","","7640.75","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C280 H248 Ag16 B16 Cl16 F64 N64 O4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","1.54184","CuKα","","0.0691","0.0586","","","0.1558","0.1671","","","","","","1.042","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235428","7.7294","0.00014","13.2469","0.0002","15.3754","0.0003","78.217","0.0015","81.8669","0.0014","77.2006","0.0015","1495.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Ag B F4 N8 -","- C34 H28 Ag B F4 N8 -","- C68 H56 Ag2 B2 F8 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0336","0.028","","","0.0706","0.0742","","","","","","1.073","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235429","10.113","0.0006","17.5762","0.001","15.6751","0.001","90","","102.831","0.006","90","","2716.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutyl ammonium salt of Naphthyl oxime","","- C27 H45 F N2 O2 -","- C27 H45 F N2 O2 -","- C108 H180 F4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.112","0.0686","","","0.1729","0.2015","","","","","","1.051","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235430","16.2317","0.0007","9.6547","0.0004","20.2299","0.0008","90","","99.931","0.003","90","","3122.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2 4 dihydroxy aromatic aldoxime","","- C30 H49 N3 O6 -","- C30 H49 N3 O6 -","- C120 H196 N12 O24 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.1135","0.0736","","","0.1531","0.1636","","","","","","1.048","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235721","22.855","0.003","5.7603","0.0005","17.559","0.0018","90","","109.164","0.003","90","","2183.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C116 H96 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Substitution effect on chalcone based materials for corrosion and photocrosslinking applications","RSC Advances","2015","5","1","586","","10.1039/C4RA10884A","","","0.71073","MoKα","","0.0609","0.0461","","","0.1038","0.1105","","","","","","1.095","","","","has coordinates","233256","2020-10-21","18:00:00",""
"7235724","5.7359","0.0006","14.0228","0.0015","12.8595","0.0014","90","","97.839","0.002","90","","1024.67","0.19","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C20 H20 F5 N O4 S -","- C20 H20 F5 N O4 S -","- C40 H40 F10 N2 O8 S2 -","2","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0991","","","","","","1.061","","","","has coordinates,has disorder","233261","2020-10-21","18:00:00",""
"7235725","9.2994","0.0009","12.5496","0.0012","17.0351","0.0016","90","","90","","90","","1988.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P n 21 a","P -2ac -2n","33","","","","- C19 H21 F5 N2 O S -","- C19 H21 F5 N2 O S -","- C76 H84 F20 N8 O4 S4 -","4","1","","Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier","First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides","RSC Advances","2015","5","9","6864","","10.1039/C4RA14075C","","x-ray","0.71073","MoKα","","0.0919","0.0555","","","0.1212","0.1393","","","","","","0.952","","","","has coordinates","233261","2020-10-21","18:00:00",""
"7235726","12.291","0.002","12.542","0.002","14.204","0.003","73.826","0.005","86.706","0.007","74.532","0.005","2026.4","0.6","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 K4 Na2 O23 S8 -","- C24 H24 K4 Na2 O23 S8 -","- C48 H48 K8 Na4 O46 S16 -","2","1","","Kunda, Uma Maheswara Rao; Yamada, Manabu; Kimuro, Takashi; Katagiri, Hiroshi; Kondo, Yoshihiko; Hamada, Fumio","A hetero-alkali metallic (Na, K) three-dimensional supramolecular assembly based on p-sulfonatothiacalix[4]arene","RSC Advances","2015","5","38","30140","","10.1039/C4RA15628E","","","0.71075","MoKα","","0.0312","0.0262","","","0.077","0.0786","","","","","","1.071","","","","has coordinates","233263","2020-10-21","18:00:00",""
"7235727","5.5132","0.0001","11.811","0.0002","21.7712","0.0003","90","","90","","90","","1417.66","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl0 N O4 S Zn0 -","- C13 H19 N O4 S -","- C52 H76 N4 O16 S4 -","4","1","","Hassan Khan, Najm Ul; Zaib, Sumera; Sultana, Kishwar; Khan, Imtiaz; Mougang-Soume, Berline; Nadeem, Humaira; Hassan, Mukhtiar; Iqbal, Jamshed","Metal complexes of tosyl sulfonamides: design, X-ray structure, biological activities and molecular docking studies","RSC Advances","2015","5","38","30125","","10.1039/C4RA16124F","","","1.54178","CuKα","","0.032","0.0314","","","0.0837","0.0841","","","","","","1.042","","","","has coordinates","233264","2020-10-21","18:00:00",""
"7235728","11.935","0.003","12.812","0.003","20.795","0.005","90","","90","","90","","3179.8","1.3","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.0849","0.0744","","","0.1259","0.1343","","","","","","1.255","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235729","8.1661","0.0016","13.473","0.003","20.342","0.004","98.39","0.03","94.84","0.03","99.51","0.03","2170.1","0.8","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","2","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.1327","0.1046","","","0.2319","0.2511","","","","","","1.157","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235730","10.361","0.002","14.6319","0.0007","20.1158","0.0009","90","","90","","90","","3049.6","0.6","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.068","0.0625","","","0.1224","0.125","","","","","","1.224","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235731","6.3011","0.0013","15.399","0.003","16.736","0.003","104.22","0.03","94.76","0.03","96.35","0.03","1554.2","0.6","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","2","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.1171","0.0848","","","0.1539","0.1769","","","","","","1.177","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235732","11.9483","0.0004","21.6468","0.0007","19.0429","0.0005","90","","101.575","0.002","90","","4825.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 N2 O8 Zr2 -","- C43 H71 N2 O8 Zr2 -","- C172 H284 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0678","0.0409","","","0.1007","0.123","","","","","","1.047","","","","has coordinates,has disorder","233268","2020-10-21","18:00:00",""
"7235733","11.176","0.0003","11.3344","0.0003","26.2444","0.0008","94.36","0.002","101.224","0.002","100.485","0.002","3184.95","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H96 N2 O8 Zr2 -","- C59 H96 N2 O8 Zr2 -","- C118 H192 N4 O16 Zr4 -","2","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0684","0.0472","","","0.1464","0.1672","","","","","","1.195","","","","has coordinates","233268","2020-10-21","18:00:00",""
"7235734","16.8978","0.0005","13.4806","0.0004","24.3958","0.0007","90","","102.679","0.001","90","","5421.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zr","","- C49 H86 N2 O8 Zr2 -","- C49 H86 N2 O8 Zr2 -","- C196 H344 N8 O32 Zr8 -","4","1","","Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zr(iv) complexes containing salan-type ligands: synthesis, structural characterization and role as catalysts towards the polymerization of ε-caprolactone, rac-lactide, ethylene, homopolymerization and copolymerization of epoxides with CO2","RSC Advances","2015","5","36","28536","","10.1039/C4RA17201A","","","0.71073","MoKα","","0.0615","0.0473","","","0.1374","0.1613","","","","","","0.853","","","","has coordinates","233268","2020-10-21","18:00:00",""
"7235746","28.677","0.002","15.8555","0.0011","21.4018","0.0015","90","","90","","90","","9731.1","1.2","296","2","296","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","","","- C68 H40 Cd3 O18 -","- C68 H36 Cd3 O18 -","- C272 H144 Cd12 O72 -","4","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0524","0.0428","","","0.1228","0.1265","","","","","","0.92","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235747","15.8225","0.0005","16.8196","0.0005","28.476","0.0011","96.7","0.002","100.221","0.003","109.597","0.002","6898","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H60 O28 Zn6 -","- C106 H56 O28 Zn6 -","- C212 H112 O56 Zn12 -","2","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","1.54178","CuKα","","0.1205","0.1009","","","0.3001","0.323","","","","","","1.198","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235748","30.947","0.008","11.625","0.003","13.967","0.004","90","","90","","90","","5025","2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H8 N O4 Zn -","- C22 H3 N O4 Zn -","- C176 H24 N8 O32 Zn8 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0727","0.0639","","","0.1667","0.1724","","","","","","1.069","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235749","31.02","0.05","11.74","0.02","13.91","0.03","90","","90","","90","","5066","16","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H13 Co N O4 -","- C22 H3 Co N O4 -","- C176 H24 Co8 N8 O32 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.1058","0.1007","","","0.2528","0.2572","","","","","","1.062","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235750","11.761","0.005","15.417","0.006","15.705","0.006","98.664","0.006","103.082","0.006","90.032","0.006","2740.3","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Co2 N4 O8 -","- C44 H22 Co2 N4 O8 -","- C88 H44 Co4 N8 O16 -","2","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.1009","0.0804","","","0.2314","0.2432","","","","","","1.016","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235793","10.83","0.004","5.0641","0.0018","15.865","0.006","90","","106.122","0.004","90","","835.9","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HANTT","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0536","0.0412","","","0.1034","0.1122","","","","","","1.003","","","","has coordinates","233328","2020-10-21","18:00:00",""
"7235794","7.0181","0.0017","8.833","0.002","18.795","0.006","84.76","0.009","84.24","0.008","68.063","0.009","1073.5","0.5","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N12 O2.5 -","- C4 H9 N12 O2.5 -","- C16 H36 N48 O10 -","4","2","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0604","0.0388","","","0.0817","0.0893","","","","","","1.002","","","","has coordinates","233328","2020-10-21","18:00:00",""
"7235795","17.869","0.006","7.864","0.002","18.347","0.006","90","","104.227","0.004","90","","2499.1","1.3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5.46 H9.92 N14 O2.5 -","- C5.461 H9.8448 N14 O2.5002 -","- C43.688 H78.7584 N112 O20.0016 -","8","1","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0608","0.0499","","","0.1274","0.1371","","","","","","1.002","","","","has coordinates,has disorder","233328","2020-10-21","18:00:00",""
"7235800","12.8897","0.0005","12.8897","0.0005","16.4462","0.0012","90","","90","","90","","2732.4","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H24 O21 S2 Tb2 -","- C14 H24 O21 S2 Tb2 -","- C56 H96 O84 S8 Tb8 -","4","0.5","","Dong, Xi-Yan; Wang, Rui; Wang, Jun-Zhe; Zang, Shuang-Quan; Mak, Thomas C. W.","Highly selective Fe3+ sensing and proton conduction in a water-stable sulfonate‒carboxylate Tb‒organic-framework","Journal of Materials Chemistry A","2015","3","2","641","","10.1039/C4TA04421E","","","0.71073","MoKα","","0.0277","0.0265","","","0.0503","0.0513","","","","","","1.016","","","","has coordinates","233335","2020-10-21","18:00:00",""
"7235806","10.1704","0.0006","21.3474","0.0012","29.3979","0.0016","90","","90.589","0.001","90","","6382.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Mo5 N12 O29 P2 Zn -","- C48 H52 Mo5 N12 O29 P2 Zn -","- C192 H208 Mo20 N48 O116 P8 Zn4 -","4","1","","Xu, Xinxin; Gao, Xin; Lu, Tingting; Liu, Xiaoxia; Wang, Xiuli","Hybrid material based on a coordination-complex-modified polyoxometalate nanorod (CC/POMNR) and PPy: a new visible light activated and highly efficient photocatalyst","Journal of Materials Chemistry A","2015","3","1","198","","10.1039/C4TA05071A","","","0.71073","MoKα","","0.0637","0.0523","","","0.1465","0.1564","","","","","","1.108","","","","has coordinates","233343","2020-10-21","18:00:00",""
"7235807","28.105","0.0014","28.105","0.0014","14.598","0.0009","90","","90","","120","","9986","0.9","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C88 H112 Mn6 N6 O42 -","- C60 H30 Mn6 O38 -","- C180 H90 Mn18 O114 -","3","0.25","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","A new microporous anionic metal‒organic framework as a platform for highly selective adsorption and separation of organic dyes","Journal of Materials Chemistry A","2015","3","4","1675","","10.1039/C4TA05391E","","","0.71069","MoKα","","0.1963","0.0942","","","0.2297","0.2475","","","","","","1.123","","","","has coordinates","233345","2020-10-21","18:00:00",""
"7235808","12.6154","0.0009","18.5017","0.0014","7.696","0.0005","90","","90","","90","","1796.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl4 O9 Ti2 -","- C8 H12 Cl4 O9 Ti2 -","- C32 H48 Cl16 O36 Ti8 -","4","0.5","","Liu, Junlei; Cai, Zhiwei; Lv, Yaokang; Zhang, Yujian; Su, Chang; Ouyang, Mi; Zhang, Cheng; Wright, Dominic S.","From a polyoxotitanium cage to TiO2/C composites, a novel strategy for nanoporous materials","Journal of Materials Chemistry A","2015","3","5","1837","","10.1039/C4TA05441E","","","0.71073","MoKα","","0.0491","0.0435","","","0.1079","0.1115","","","","","","1.023","","","","has coordinates","233347","2020-10-21","18:00:00",""
"7235809","9.3725","0.0002","14.7643","0.0003","14.7153","0.0003","90","","101.058","0.002","90","","1998.47","0.07","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Zn(dcbpy)(DMF)]","","- C18 H20 N4 O6 Zn -","- C18 H20 N4 O6 Zn -","- C72 H80 N16 O24 Zn4 -","4","1","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Scanlon, David O.; Kenyon, Anthony J.; Parkin, Ivan P.","The vapour phase detection of explosive markers and derivatives using two fluorescent metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","12","6351","","10.1039/C4TA05638H","","","1.54184","CuKα","","0.0459","0.0358","","","0.0875","0.095","","","","","","1.042","","","","has coordinates,has disorder","233349","2020-10-21","18:00:00",""
"7235810","9.2414","0.0005","10.304","0.0005","12.8291","0.0006","76.388","0.004","69.431","0.004","86.377","0.004","1111.37","0.1","149.9","0.15","149.9","0.15","","","","","","","","5","P -1","-P 1","2","","Dy(DCBPY)(DMF)2(NO2)(H2O)","","- C18 H20 Dy N5 O9 -","- C18 H20 Dy N5 O9 -","- C36 H40 Dy2 N10 O18 -","2","1","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Scanlon, David O.; Kenyon, Anthony J.; Parkin, Ivan P.","The vapour phase detection of explosive markers and derivatives using two fluorescent metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","12","6351","","10.1039/C4TA05638H","","","1.5418","CuKα","","0.0628","0.0577","","","0.1478","0.1526","","","","","","1.146","","","","has coordinates","233349","2020-10-21","18:00:00",""
"7235811","6.6569","0.0006","8.3735","0.0008","8.5943","0.0008","88.177","0.008","68.659","0.009","69.429","0.008","415.22","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide","5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide","","- C6 H10 N20 O6 -","- C6 H10 N20 O6 -","- C6 H10 N20 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0486","0.0359","","","0.084","0.0913","","","","","","1.065","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235812","6.4916","0.0003","7.9296","0.0004","10.1535","0.0005","87.069","0.004","77.437","0.004","84.279","0.004","507.37","0.04","173","","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate","5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate","","- C8 H20 N22 O6 -","- C8 H20 N22 O6 -","- C8 H20 N22 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0329","0.0302","","","0.0764","0.0788","","","","","","1.076","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235813","10.9541","0.0003","19.709","0.0004","20.4037","0.0007","90","","104.295","0.003","90","","4268.7","0.2","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(diaminotriazolium) 5-nitriminotetrazolate hydrate","bis(diaminotriazolium) 5-nitriminotetrazolate hydrate","","- C16 H36 N54 O10 -","- C16 H36 N54 O10 -","- C64 H144 N216 O40 -","4","1","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0553","0.0376","","","0.0891","0.099","","","","","","1.026","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235814","28.2349","0.0008","12.8429","0.0003","7.2379","0.0003","90","","94.715","0.003","90","","2615.71","0.15","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5-bis(2,3-diaminotriazolium) 5-nitrimino1-H-tetrazolate semihydrate","5,5-bis(2,3-diaminotriazolium) 5-nitrimino1-H-tetrazolate semihydrate","","- C10 H22 N32 O5 -","- C10 H22 N32 O5 -","- C40 H88 N128 O20 -","4","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0379","0.0318","","","0.083","0.0874","","","","","","1.033","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235815","9.275","0.0007","9.5253","0.0008","9.8392","0.0008","109.65","0.007","96.08","0.006","116.486","0.008","698.14","0.13","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate","5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate","","- C10 H28 N32 O8 -","- C10 H28 N32 O8 -","- C10 H28 N32 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0423","0.0328","","","0.0805","0.0874","","","","","","1.024","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235816","6.3892","0.0006","8.242","0.0007","8.4392","0.0007","81.266","0.007","75.251","0.007","85.638","0.007","424.45","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(2,3-diamino-1,2,4-triazolium) 1,1-dinitramino-5,5-bistetrazolate","5,5-bis(2,3-diamino-1,2,4-triazolium) 1,1-dinitramino-5,5-bistetrazolate","","- C6 H10 N22 O4 -","- C6 H10 N22 O4 -","- C6 H10 N22 O4 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0501","0.0356","","","0.0783","0.0862","","","","","","1.024","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235817","16.8271","0.0004","12.0361","0.0003","8.7485","0.0003","90","","93.252","0.002","90","","1769","0.09","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis(2,3-diaminotriazolium) bis(trinitromethanide","5,5-bis(2,3-diaminotriazolium) nitroformate","","- C6 H10 N16 O12 -","- C6 H10 N16 O12 -","- C24 H40 N64 O48 -","4","1","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0356","0.0299","","","0.0737","0.0778","","","","","","1.048","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235818","5.2141","0.0004","9.8545","0.0006","17.7329","0.0011","90","","98.076","0.002","90","","902.12","0.1","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate","5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate","","- C10 H10 N18 O8 -","- C10 H10 N18 O8 -","- C20 H20 N36 O16 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.062","0.037","","","0.0843","0.1108","","","","","","1.111","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235819","6.6825","0.0004","6.931","0.0004","7.0089","0.0005","73.212","0.006","89.114","0.006","75.819","0.005","300.79","0.04","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) nitrate","5,5-bis(3,4-diaminotriazolium) nitrate","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0371","0.0313","","","0.084","0.0898","","","","","","1.085","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235820","6.3741","0.0007","7.8143","0.0008","8.4826","0.0008","66.716","0.009","69.319","0.009","76.365","0.009","360.81","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide)","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide)","","- C6 H10 N18 O2 -","- C6 H10 N18 O2 -","- C6 H10 N18 O2 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0631","0.0403","","","0.0842","0.095","","","","","","1.017","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235821","8.9202","0.0007","14.3723","0.0008","6.7226","0.0006","90","","110.555","0.01","90","","806.99","0.12","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0467","0.0356","","","0.0739","0.0801","","","","","","1.037","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235822","6.5168","0.0005","7.7826","0.0005","8.5072","0.0006","97.717","0.006","107.34","0.006","112.14","0.007","366.35","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) dinitramide","5,5-bis(3,4-diaminotriazolium) dinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0398","0.0336","","","0.0803","0.0855","","","","","","1.06","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235823","5.0366","0.0003","8.603","0.0005","12.4842","0.0007","90","","98.924","0.005","90","","534.39","0.05","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate","5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate","","- C4 H14 N12 O2 -","- C4 H14 N12 O2 -","- C8 H28 N24 O4 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0362","0.0314","","","0.0805","0.0842","","","","","","1.044","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235824","6.2655","0.0003","8.2526","0.0004","17.2616","0.0008","90","","92.655","0.005","90","","891.58","0.07","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-2,3-diaminotriazolium 5-nitrotetrazolate dihydrate","5,5-bis-2,3-diaminotriazolium 5-nitrotetrazolate dihydrate","","- C6 H14 N20 O6 -","- C6 H14 N20 O6 -","- C12 H28 N40 O12 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0406","0.0346","","","0.0853","0.0915","","","","","","1.099","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235825","6.5046","0.0009","7.701","0.0013","8.4831","0.0013","97.897","0.013","107.262","0.013","111.478","0.014","362.85","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0486","0.0384","","","0.0916","0.1013","","","","","","1.061","","","","has coordinates","233358","2020-10-21","18:00:00",""
"7235826","6.5155","0.0008","7.7748","0.0011","8.5036","0.0011","97.677","0.011","107.306","0.011","112.194","0.012","365.76","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0552","0.0402","","","0.0896","0.1012","","","","","","1.058","","","","has coordinates","233358","2020-10-21","18:00:00",""
"7235827","6.5597","0.0012","7.984","0.002","8.5813","0.0019","97.31","0.02","107.895","0.019","113.84","0.02","374.52","0.18","298","2","298","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0944","0.063","","","0.1481","0.172","","","","","","1.023","","","","has coordinates","233358","2020-10-21","18:00:00",""
"7235828","9.97592","0.00018","19.8174","0.0004","20.1513","0.0004","90","","90","","90","","3983.85","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C75 H22 S2 -","- C75 S2 -","- C300 S8 -","4","1","","Mikie, Tsubasa; Saeki, Akinori; Masuda, Hiroyuki; Ikuma, Naohiko; Kokubo, Ken; Seki, Shu","New efficient (thio)acetalized fullerene monoadducts for organic solar cells: characterization based on solubility, mobility balance, and dark current","Journal of Materials Chemistry A","2015","3","3","1152","","10.1039/C4TA05965D","","","1.54187","CuKα","","0.0981","0.0693","","","0.1742","0.1923","","","","","","1","","","","has coordinates","233360","2020-10-21","18:00:00",""
"7235829","17.882","0.005","6.0919","0.0018","9.281","0.003","90","","90","","90","","1011","0.5","163","2","163","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6 N7 Na O7 -","- C3 H6 N7 Na O7 -","- C12 H24 N28 Na4 O28 -","4","0.5","","Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan","The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts","Journal of Materials Chemistry A","2015","3","7","3594","","10.1039/C4TA06139J","","","0.71073","MoKα","","0.0425","0.038","","","0.1032","0.1074","","","","","","1.001","","","","has coordinates","233363","2020-10-21","18:00:00",""
"7235830","10.426","0.004","5.185","0.002","17.876","0.007","90","","96.238","0.005","90","","960.6","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O4 -","- C4 H6 N10 O4 -","- C16 H24 N40 O16 -","4","1","","Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan","The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts","Journal of Materials Chemistry A","2015","3","7","3594","","10.1039/C4TA06139J","","","0.71073","MoKα","","0.0618","0.045","","","0.1086","0.1203","","","","","","1.003","","","","has coordinates","233363","2020-10-21","18:00:00",""
"7235831","17.7703","0.0009","12.3805","0.0008","8.0711","0.0006","90","","116.773","0.007","90","","1585.3","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C7 H16 I3 N O2 Pb -","- C7 H16 I3 N O2 Pb -","- C28 H64 I12 N4 O8 Pb4 -","4","1","","Safdari, Majid; Fischer, Andreas; Xu, Bo; Kloo, Lars; Gardner, James M.","Structure and function relationships in alkylammonium lead(ii) iodide solar cells","Journal of Materials Chemistry A","2015","3","17","9201","","10.1039/C4TA06174H","","","0.71073","MoKα","","0.0296","0.0272","","","0.064","0.0648","","","","","","1.092","","","","has coordinates","233365","2020-10-21","18:00:00",""
"7235832","4.5054","0.0003","10.3354","0.0007","10.8017","0.0009","77.933","0.006","79.23","0.006","83.148","0.005","481.52","0.06","128","1","128","1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Gd N O7 -","- C8 H7 Gd N O7 -","- C16 H14 Gd2 N2 O14 -","2","1","","Zhang, Shaowei; Duan, Eryue; Cheng, Peng","An exceptionally stable 3D GdIII-organic framework for use as a magnetocaloric refrigerant","Journal of Materials Chemistry A","2015","3","13","7157","","10.1039/C4TA06209D","","","0.71073","MoKα","","0.0288","0.0267","","","0.0572","0.0593","","","","","","1.041","","","","has coordinates","233367","2020-10-21","18:00:00",""
"7235833","15.7727","0.0009","4.8184","0.0003","17.7825","0.0008","90","","104.765","0.005","90","","1306.83","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6-difluorobenzo-2,1,3-thiadiazole","","- C14 H6 F2 N2 S3 -","- C14 H6 F2 N2 S3 -","- C56 H24 F8 N8 S12 -","4","1","","Huang, Chi-Feng; Chang, Jen-Yun; Huang, Sin-Hong; Wu, Kuan-Yi; Jheng, Jyun-Fong; Chuang, Wei-Tsung; Hsu, Chain-Shu; Wang, Chien-Lung","Polymorphisms and morphological studies of a difluorobenzothiadiazole conjugated copolymer with 7.8% polymer solar cell efficiency","Journal of Materials Chemistry A","2015","3","7","3968","","10.1039/C4TA06228K","","","1.54178","CuKα","","0.0915","0.0641","","","0.1775","0.1914","","","","","","1.14","","","","has coordinates,has disorder","233369","2020-10-21","18:00:00",""
"7235834","30.9719","0.0012","30.9719","0.0012","15.8055","0.0012","90","","90","","120","","13130.3","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C55 H56 Co3 N6 O16 -","- C55 H56 Co3 N6 O16 -","- C495 H504 Co27 N54 O144 -","9","0.5","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0884","0.0787","","","0.172","0.1758","","","","","","1.048","","","","has coordinates,has disorder","233371","2020-10-21","18:00:00",""
"7235835","30","0.0016","30","0.0016","16","0.0002","90","0.002","90","0.003","120","0.003","12470.8","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H7 Cu O6 -","- C15 H7 Cu O6 -","- C270 H126 Cu18 O108 -","18","1","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0619","0.0509","","","0.1508","0.1594","","","","","","1.076","","","","has coordinates","233371","2020-10-21","18:00:00",""
"7235836","23.612","0.002","14.2939","0.0013","33.57","0.003","90","","95.048","0.002","90","","11286.2","1.7","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cr O6 -","- C25 H25 Cr O6 -","- C500 H500 Cr20 O120 -","20","5","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","0.71073","MoKα","","0.104","0.0587","","","0.1446","0.1774","","","","","","1.017","","","","has coordinates","233374","2020-10-21","18:00:00",""
"7235837","12.7622","0.0016","15.3268","0.0003","14.8815","0.0011","90","","114.351","0.009","90","","2651.9","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cr N3 O6 -","- C27 H30 Cr N3 O6 -","- C108 H120 Cr4 N12 O24 -","4","1","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","1.54178","CuKα","","0.04","0.0354","","","0.1012","0.1195","","","","","","1.181","","","","has coordinates","233374","2020-10-21","18:00:00",""
"7235838","10.1881","0.0002","10.814","0.0002","13.9887","0.0003","94.475","0.001","92.681","0.001","112.382","0.001","1415.84","0.05","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cr O6 -","- C35 H29 Cr O6 -","- C70 H58 Cr2 O12 -","2","1","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","0.71073","MoKα","","0.0722","0.0468","","","0.109","0.1231","","","","","","1.036","","","","has coordinates","233374","2020-10-21","18:00:00",""
"7235839","5.224","0.001","8.8026","0.0018","20.434","0.004","90","","96.91","0.03","90","","932.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd N6 O4 -","- C20 H16 Cd N6 O4 -","- C40 H32 Cd2 N12 O8 -","2","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0582","0.054","","","0.1545","0.1558","","","","","","1.234","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235840","13.696","0.003","12.414","0.003","20.618","0.004","90","","90","","90","","3505.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cd N4 O5 -","- C18 H14 Cd N4 O5 -","- C144 H112 Cd8 N32 O40 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0393","0.0292","","","0.067","0.0701","","","","","","1.083","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235841","11.066","0.002","17.157","0.003","17.935","0.004","63.73","0.03","73.87","0.03","88.05","0.03","2917.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 Cd2 N16 O13 -","- C56 H50 Cd2 N16 O13 -","- C112 H100 Cd4 N32 O26 -","2","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.1066","0.063","","","0.1574","0.1847","","","","","","1.081","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235842","9.1017","0.0018","9.1163","0.0018","16.216","0.003","97.35","0.03","98.03","0.03","119.78","0.03","1125.5","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","1","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0365","0.0345","","","0.0914","0.0936","","","","","","1.113","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235843","10.161","0.002","12.773","0.003","16.673","0.003","75.01","0.03","89.27","0.03","87.55","0.03","2088.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cd3 N4 O16 -","- C36 H40 Cd3 N4 O16 -","- C72 H80 Cd6 N8 O32 -","2","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0369","0.0303","","","0.0974","0.111","","","","","","1.132","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235844","28.167","0.006","9.3075","0.0019","17.84","0.004","90","","114.74","0.03","90","","4247.7","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O16 -","- C36 H40 Cd3 N4 O16 -","- C144 H160 Cd12 N16 O64 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0258","0.0232","","","0.0603","0.0622","","","","","","0.8","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235845","10.259","0.0003","11.6835","0.0003","16.833","0.0004","90","","92.2","0.002","90","","2016.13","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 O8 P2 Si4 -","- C37 H48 O8 P2 Si4 -","- C74 H96 O16 P4 Si8 -","2","0.5","","Styskalik, Ales; Skoda, David; Moravec, Zdenek; Babiak, Michal; Barnes, Craig E.; Pinkas, Jiri","Control of micro/mesoporosity in non-hydrolytic hybrid silicophosphate xerogels","Journal of Materials Chemistry A","2015","3","14","7477","","10.1039/C4TA06823H","","","0.71073","MoKα","","0.0383","0.0306","","","0.0882","0.0906","","","","","","1.112","","","","has coordinates,has disorder","233378","2020-10-21","18:00:00",""
"7235846","14.2222","0.0008","15.0491","0.0014","16.4125","0.0008","105.92","0.001","110.021","0.001","101.537","0.001","3001.3","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","1","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0265","0.0245","","","0.0733","0.0747","","","","","","1.062","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235847","22.97","0.004","15.784","0.003","24.183","0.004","90","","92.228","0.002","90","","8761","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H154 Co2 Mo24 N12 O137 P16 -","- C78 H128 Co2 Mo24 N12 O137 P16 -","- C156 H256 Co4 Mo48 N24 O274 P32 -","2","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0494","0.0467","","","0.1377","0.1401","","","","","","1.053","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235848","29.209","0.011","23.399","0.009","15.388","0.006","90","","90","","90","","10517","7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C156 H330 Co12 Mo48 N24 O304 P36 -","2","0.25","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0394","0.0344","","","0.1073","0.1125","","","","","","1.055","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235849","13.5095","0.0016","14.0897","0.0017","15.3417","0.0018","72.785","0.001","84.827","0.002","74.414","0.002","2686.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H90 Co5 Mo12 N8 Na2 O80 P8 -","- C48 H80 Co5 Mo12 N8 Na2 O80 P8 -","- C48 H80 Co5 Mo12 N8 Na2 O80 P8 -","1","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0265","0.025","","","0.0682","0.069","","","","","","1.06","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235850","13.654","0.003","17.014","0.003","16.235","0.003","90","","109.29","0.002","90","","3559.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O5 -","- C38 H54 N2 O5 -","- C152 H216 N8 O20 -","4","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1205","0.0592","","","0.1122","0.1351","","","","","","1.005","","","","has coordinates","233383","2020-10-21","18:00:00",""
"7235851","9.8804","0.0017","16.659","0.003","18.091","0.003","75.447","0.001","81.26","0.011","74.709","0.009","2768.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H41 N O5 -","- C30 H41 N O5 -","- C120 H164 N4 O20 -","4","2","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1022","0.0646","","","0.1548","0.1746","","","","","","0.886","","","","has coordinates,has disorder","233383","2020-10-21","18:00:00",""
"7235852","11.3712","0.0006","12.1738","0.0006","14.803","0.001","105.29","0.007","92.938","0.007","113.173","0.008","1789.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H52 N4 O4 -","- C37 H52 N4 O4 -","- C74 H104 N8 O8 -","2","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.0836","0.0617","","","0.1573","0.1733","","","","","","1.025","","","","has coordinates","233383","2020-10-21","18:00:00",""
"7235853","8.358","0.003","10.369","0.004","22.108","0.008","98.94","0.006","91.829","0.005","111.105","0.007","1757.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H52 N4 O4 -","- C37 H52 N4 O4 -","- C74 H104 N8 O8 -","2","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1816","0.1184","","","0.3289","0.3751","","","","","","1.263","","","","has coordinates,has disorder","233383","2020-10-21","18:00:00",""
"7235854","11.757","0.002","12.192","0.002","21.542","0.004","90","","90","","90","","3087.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O13 -","- C6 H6 N10 O13 -","- C48 H48 N80 O104 -","8","2","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.0717","0.0453","","","0.0843","0.0926","","","","","","1.035","","","","has coordinates","233385","2020-10-21","18:00:00",""
"7235855","17.826","0.004","12.307","0.003","10.724","0.002","90","","108.339","0.005","90","","2233.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cl2 N14 O14 -","- C9 H8 Cl2 N14 O14 -","- C36 H32 Cl8 N56 O56 -","4","0.5","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.1085","0.0491","","","0.087","0.1002","","","","","","1.018","","","","has coordinates","233385","2020-10-21","18:00:00",""
"7235856","7.6324","0.0007","9.7348","0.001","14.8237","0.0013","90","","98.562","0.003","90","","1089.12","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N16 O18 -","- C8 H4 N16 O18 -","- C16 H8 N32 O36 -","2","0.5","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.096","0.0429","","","0.0646","0.0734","","","","","","1.051","","","","has coordinates","233385","2020-10-21","18:00:00",""
"7235857","6.6857","0.0001","6.8993","0.0001","10.2681","0.0002","76.7114","0.001","79.0212","0.001","75.8661","0.001","442.447","0.013","173","2","173.09","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N5 O4 -","- C5 H9 N5 O4 -","- C10 H18 N10 O8 -","2","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","1.54178","CuKα","","0.0401","0.0323","","","0.0854","0.09","","","","","","1.052","","","","has coordinates","233387","2020-10-21","18:00:00",""
"7235858","7.5409","0.0004","11.4812","0.0006","12.3048","0.0006","90","","106.802","0.001","90","","1019.85","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 F3 N4 O7 S -","- C3 H5 F3 N4 O7 S -","- C12 H20 F12 N16 O28 S4 -","4","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0365","0.0335","","","0.0877","0.0896","","","","","","1.058","","","","has coordinates","233387","2020-10-21","18:00:00",""
"7235859","10.3533","0.0011","13.0615","0.0014","20.06","0.002","107.534","0.002","94.518","0.002","95.584","0.002","2557.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H5 Cl N4 O8 -","- C2 H5 Cl N4 O8 -","- C24 H60 Cl12 N48 O96 -","12","6","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0592","0.0481","","","0.1275","0.1366","","","","","","1.024","","","","has coordinates,has disorder","233387","2020-10-21","18:00:00",""
"7235860","6.2235","0.0009","10.5855","0.0015","11.8361","0.0017","111.318","0.002","93.653","0.002","102.778","0.002","699.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,2-dinitroacetohydrazonammonium trifluoromethanesulfonate acetonitrile","","- C5 H9 F3 N6 O7 S -","- C5 H9 F3 N6 O7 S -","- C10 H18 F6 N12 O14 S2 -","2","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0388","0.0338","","","0.0875","0.091","","","","","","1.039","","","","has coordinates","233387","2020-10-21","18:00:00",""
"7235861","12.5824","0.0006","11.7081","0.0007","14.7356","0.0007","90","","114.996","0.003","90","","1967.47","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cu N2 O4 -","- C13 H8 Cu N2 O4 -","- C52 H32 Cu4 N8 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0493","0.0467","","","0.1212","0.1224","","","","","","1.138","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235862","11.5727","0.0014","12.4292","0.0016","14.4253","0.0017","90","","102.098","0.007","90","","2028.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cu N2 O4 -","- C13 H8 Cu N2 O4 -","- C52 H32 Cu4 N8 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0455","0.0426","","","0.1507","0.1533","","","","","","1.305","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235863","18.295","0.005","18.295","0.005","69.43","0.018","90","","90","","120","","20125","9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H41.84 Cu6 N12 O30 -","- C84 H41.844 Cu6 N12 O30 -","- C504 H251.064 Cu36 N72 O180 -","6","0.166667","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.1014","0.0707","","","0.1907","0.2066","","","","","","0.965","","","","has coordinates,has disorder","233388","2020-10-21","18:00:00",""
"7235864","12.599","0.0007","11.8519","0.0007","14.594","0.0008","90","","115.371","0.002","90","","1969","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Cu N3 O4 -","- C12 H7 Cu N3 O4 -","- C48 H28 Cu4 N12 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0541","0.0529","","","0.1363","0.1369","","","","","","1.185","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235865","18.7846","0.0011","18.7846","0.0011","37.823","0.002","90","","90","","120","","11558.2","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C14 H7 Cu N2 O5 -","- C14 H7 Cu N2 O5 -","- C252 H126 Cu18 N36 O90 -","18","0.5","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0693","0.0589","","","0.2171","0.2213","","","","","","1.659","","","","has coordinates,has disorder","233388","2020-10-21","18:00:00",""
"7235875","13.464","0.0006","13.6873","0.0006","17.0771","0.0006","107.657","0.004","95.015","0.003","95.481","0.003","2962.5","0.2","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H67 Cl3 N6 O8 -","- C65 H67 Cl3 N6 O8 -","- C130 H134 Cl6 N12 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1178","0.0794","","","0.2113","0.2483","","","","","","1.026","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235876","13.5142","0.0006","14.6744","0.0007","17.3471","0.0007","95.199","0.004","94.142","0.003","110.327","0.004","3192.8","0.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H60 Cl9 D3 N4 O8 -","- C63 H62.998 Cl8.994 N4 O8 -","- C126 H125.996 Cl17.988 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.1888","0.0995","","","0.2709","0.3386","","","","","","1.043","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235877","13.4616","0.0002","14.1115","0.0003","15.8347","0.0004","109.783","0.002","93.681","0.0016","99.7937","0.0016","2765.08","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H72 N4 O11 -","- C63 H72 N4 O11 -","- C126 H144 N8 O22 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","1.54184","CuKα","","0.0593","0.0526","","","0.1444","0.1524","","","","","","1.021","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235878","13.1236","0.0004","32.8276","0.0008","13.3088","0.0004","90","","92.373","0.003","90","","5728.7","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 Cl3 N4 O9 -","- C63 H67 Cl3 N4 O9 -","- C252 H268 Cl12 N16 O36 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1307","0.0815","","","0.2186","0.2609","","","","","","1.035","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235879","13.0454","0.0003","13.7948","0.0005","20.6219","0.0007","88.043","0.003","82.996","0.002","84.693","0.002","3666.6","0.2","170","2","170.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C70 H60 Cl3 D F6 I3 N4 O8 -","- C70 H61 Cl3 F6 I3 N4 O8 -","- C140 H122 Cl6 F12 I6 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0532","0.0397","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235881","17.624","0.0011","11.8156","0.0007","26.146","0.0013","90","","116.317","0.003","90","","4880.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cd2 N9 O13 -","- C50 H45 Cd2 N9 O13 -","- C200 H180 Cd8 N36 O52 -","4","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.0423","0.0345","","","0.0872","0.0919","","","","","","1.02","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235882","21.234","0.009","15.744","0.006","16.213","0.007","90","","113.443","0.004","90","","4973","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cd N2 O9 -","- C23 H28 Cd N2 O9 -","- C184 H224 Cd8 N16 O72 -","8","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.1457","0.0867","","","0.2204","0.2975","","","","","","1.065","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235883","9.439","0.005","10.414","0.004","12.275","0.005","103.658","0.007","109.217","0.005","99.019","0.007","1070.4","0.8","","","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 N16 Ni O -","- C12 H32 N16 Ni O -","- C24 H64 N32 Ni2 O2 -","2","1","","Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan","Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP","RSC Advances","2015","5","41","32872","","10.1039/C5RA02464A","","","0.71073","MoKα","","0.0672","0.0509","","","0.1506","0.1835","","","","","","1.0649","","","","has coordinates,has disorder","233731","2020-10-21","18:00:00",""
"7235884","6.7483","0.0008","8.2141","0.0009","8.2854","0.0009","113.252","0.01","112.492","0.011","97.526","0.01","367.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 N14 Ni -","- C8 H20 N14 Ni -","- C8 H20 N14 Ni -","1","0.5","","Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan","Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP","RSC Advances","2015","5","41","32872","","10.1039/C5RA02464A","","","0.71073","MoKα","","0.0701","0.0557","","","0.1503","0.187","","","","","","1.008","","","","has coordinates","233731","2020-10-21","18:00:00",""
"7235885","7.2288","0.0004","9.9748","0.0006","11.5954","0.0006","85.652","0.003","82.94","0.003","76.401","0.003","805.54","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Mn N8 O18 S2 -","- C18 H34 Mn N8 O18 S2 -","- C18 H34 Mn N8 O18 S2 -","1","0.5","","Mahmudov, Kamran T.; Sutradhar, Manas; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Ribera, Alice; Nunes, Ana V. M.; Gahramanova, Shahnaz I.; Marchetti, Fabio; Pombeiro, Armando J. L.","MnII and CuII complexes with arylhydrazones of active methylene compounds as effective heterogeneous catalysts for solvent- and additive-free microwave-assisted peroxidative oxidation of alcohols","RSC Advances","2015","5","33","25979","","10.1039/C5RA02667A","","","0.71073","MoKα","","0.0316","0.0273","","","0.0739","0.0774","","","","","","1.049","","","","has coordinates","233733","2020-10-21","18:00:00",""
"7235886","9.9962","0.0004","17.2664","0.0008","13.1588","0.0006","90","","107.705","0.002","90","","2163.61","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu4 N4 O30 S4 -","- C28 H48 Cu4 N4 O30 S4 -","- C56 H96 Cu8 N8 O60 S8 -","2","0.5","","Mahmudov, Kamran T.; Sutradhar, Manas; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Ribera, Alice; Nunes, Ana V. M.; Gahramanova, Shahnaz I.; Marchetti, Fabio; Pombeiro, Armando J. L.","MnII and CuII complexes with arylhydrazones of active methylene compounds as effective heterogeneous catalysts for solvent- and additive-free microwave-assisted peroxidative oxidation of alcohols","RSC Advances","2015","5","33","25979","","10.1039/C5RA02667A","","","0.71073","MoKα","","0.0766","0.0445","","","0.103","0.121","","","","","","1.024","","","","has coordinates","233733","2020-10-21","18:00:00",""
"7235887","7.7407","0.0004","10.0073","0.0006","12.4336","0.0007","89.732","0.001","89.884","0.001","84.946","0.001","959.39","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 O17 Zn2.5 -","- C13 H19 O17 Zn2.5 -","- C26 H38 O34 Zn5 -","2","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0226","0.0219","","","0.0586","0.059","","","","","","1.09","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235888","8.0745","0.0003","8.5747","0.0004","22.7033","0.001","90","","92.166","0.001","90","","1570.77","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 O13 Zn2.5 -","- C13 H11 O13 Zn2.5 -","- C52 H44 O52 Zn10 -","4","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0276","0.0247","","","0.0632","0.0646","","","","","","1.073","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235889","7.9468","0.0003","12.5413","0.0005","12.562","0.0005","111.67","","106.2","","94.38","","1094.48","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H22 Co3 O19 -","- C13 H22 Co3 O19 -","- C26 H44 Co6 O38 -","2","1","","Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John","Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)","RSC Advances","2015","5","37","29362","","10.1039/C5RA02700D","","","0.71073","MoKα","","0.0303","0.0277","","","0.0737","0.0755","","","","","","1.066","","","","has coordinates","233735","2020-10-21","18:00:00",""
"7235890","8.6087","0.001","12.0564","0.0013","13.9281","0.0015","108.468","0.003","104.708","0.003","94.122","0.003","1307.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Br N O3 -","- C30 H26 Br N O3 -","- C60 H52 Br2 N2 O6 -","2","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.0933","0.0514","","","0.1409","0.1672","","","","","","1.042","","","","has coordinates","233738","2020-10-21","18:00:00",""
"7235891","5.8328","0.0006","11.8968","0.0014","19.757","0.002","78.469","0.004","88.02","0.004","82.246","0.004","1331","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.0743","0.0476","","","0.132","0.1447","","","","","","0.937","","","","has coordinates","233738","2020-10-21","18:00:00",""
"7235892","19.841","0.005","14.847","0.004","8.918","0.002","90","","90.596","0.006","90","","2626.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl N O5 -","- C30 H26 Cl N O5 -","- C120 H104 Cl4 N4 O20 -","4","1","","Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde","Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes","RSC Advances","2015","5","34","26491","","10.1039/C5RA02918J","","","0.71073","MoKα","","0.2109","0.0678","","","0.0883","0.1094","","","","","","1.059","","","","has coordinates,has disorder","233738","2020-10-21","18:00:00",""
"7235893","10.772","0.0006","12.0538","0.0007","18.4416","0.001","90","","90","","90","","2394.5","0.2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H10 O4 -","- C16 H10 O4 -","- C128 H80 O32 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0595","0.0446","","","0.1033","0.1107","","","","","","1.032","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235894","12.1385","0.0004","10.7741","0.0003","20.8967","0.0006","90","","94.598","0.002","90","","2724.1","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br F N2 O2 -","- C32 H26 Br F N2 O2 -","- C128 H104 Br4 F4 N8 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0571","0.0358","","","0.0798","0.0879","","","","","","1.029","","","","has coordinates,has disorder","233742","2020-10-21","18:00:00",""
"7235895","8.5336","0.0003","9.2212","0.0004","16.6852","0.0006","90","","102.58","0.002","90","","1281.44","0.09","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C64 H54 F2 N4 O4 -","2","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0616","0.0413","","","0.0818","0.0912","","","","","","1.018","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235896","31.6167","0.001","10.4048","0.0003","16.4565","0.0005","90","","114.191","0.002","90","","4938.2","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0835","0.0481","","","0.1076","0.1282","","","","","","1.008","","","","has coordinates,has disorder","233742","2020-10-21","18:00:00",""
"7235897","15.2321","0.0011","6.7111","0.0005","33.287","0.002","90","","90","","90","","3402.7","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 F N3 O2 -","- C21 H14 F N3 O2 -","- C168 H112 F8 N24 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0771","0.0441","","","0.1034","0.1196","","","","","","1.04","","","","has coordinates,has disorder","233742","2020-10-21","18:00:00",""
"7235898","23.8305","0.0013","9.8495","0.0005","19.7081","0.0011","90","","102.587","0.003","90","","4514.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.1595","0.06","","","0.0979","0.1295","","","","","","0.98","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235899","7.7191","0.0002","13.9145","0.0003","12.558","0.0003","90","","99.863","0.001","90","","1328.89","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O4 -","- C17 H11 F O4 -","- C68 H44 F4 O16 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0437","0.0379","","","0.1048","0.1081","","","","","","1.044","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235900","8.5696","0.0002","19.5048","0.0005","11.9609","0.0003","90","","106.2","0.002","90","","1919.86","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N3 O2 -","- C26 H17 N3 O2 -","- C104 H68 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.1384","0.0571","","","0.0983","0.1281","","","","","","1.033","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235901","12.1684","0.0003","6.5944","0.0001","17.0941","0.0004","90","","105.865","0.001","90","","1319.44","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0523","0.0456","","","0.1096","0.1149","","","","","","1.062","","","","has coordinates","233742","2020-10-21","18:00:00",""
"7235902","12.49","0.0009","12.5364","0.001","16.5875","0.0013","72.841","0.007","74.133","0.007","65.716","0.007","2227.3","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C97 H119 N3 O23.7 -","- C97 H119 N3 O23.704 -","- C97 H119 N3 O23.704 -","1","0.5","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari","Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene","RSC Advances","2015","5","38","30222","","10.1039/C5RA03667D","","x-ray","0.71073","MoKα","","0.0902","0.0628","","","0.1564","0.1775","","","","","","1.067","","","","has coordinates,has disorder","233744","2020-10-21","18:00:00",""
"7235903","12.143","0.002","12.791","0.003","18.158","0.004","95.58","0.03","106.88","0.03","113.4","0.03","2403.2","1.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H67 N O12 -","- C52 H67 N O12 -","- C104 H134 N2 O24 -","2","1","","Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari","Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene","RSC Advances","2015","5","38","30222","","10.1039/C5RA03667D","","","0.71073","MoKα","","0.1494","0.0724","","","0.1222","0.1485","","","","","","1.021","","","","has coordinates","233744","2020-10-21","18:00:00",""
"7235904","13.1976","0.0017","10.5014","0.0008","9.8453","0.0011","90","","108.284","0.014","90","","1295.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Huang, Wei; Liu, Shen; Chen, Binhui; Guo, Xiao; Yu, Yongping","Synthesis of polysubstituted 4-aminopyrazoles and 4-hydroxypyrazoles from vinyl azides and hydrazines","RSC Advances","2015","5","41","32740","","10.1039/C5RA04371A","","","0.71073","MoKα","","0.0769","0.0488","","","0.1109","0.1267","","","","","","1.043","","","","has coordinates","233747","2020-10-21","18:00:00",""
"7235905","13.412","0.004","13.544","0.003","14.951","0.004","113.82","0.02","90.15","0.02","111.63","0.02","2272.6","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 N2 O7 S2 -","- C50 H46 N2 O7 S2 -","- C100 H92 N4 O14 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0881","0.054","","","0.1165","0.1406","","","","","","1.036","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235906","15.263","0.0004","15.5332","0.0003","19.3594","0.0007","90","","100.221","0.003","90","","4517","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 N2 O7 S2 -","- C51 H48 N2 O7 S2 -","- C204 H192 N8 O28 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0854","0.0536","","","0.1157","0.132","","","","","","1.02","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235907","15.3836","0.0005","15.5242","0.0003","19.5258","0.0006","90","","100.466","0.003","90","","4585.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 N2 O7 S2 -","- C52 H50 N2 O7 S2 -","- C208 H200 N8 O28 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0884","0.0569","","","0.1194","0.1356","","","","","","1.033","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235908","15.4604","0.0005","19.5093","0.0007","18.6701","0.0006","90","","96.156","0.003","90","","5598.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 N2 O9 S2 -","- C59 H68 N2 O9 S2 -","- C236 H272 N8 O36 S8 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1118","0.0718","","","0.1816","0.2033","","","","","","1.047","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235909","10.2879","0.0011","11.452","0.001","11.8164","0.0008","103.006","0.007","93.516","0.007","91.882","0.008","1352.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 N2 O8 S2 -","- C58 H64 N2 O8 S2 -","- C58 H64 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1079","0.0684","","","0.1897","0.2143","","","","","","1.074","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235910","10.4668","0.0007","11.3787","0.0007","11.8377","0.0008","103.561","0.006","92.449","0.006","92.814","0.005","1366.76","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N2 O8 S2 -","- C60 H68 N2 O8 S2 -","- C60 H68 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.097","0.0639","","","0.1417","0.157","","","","","","1.015","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235911","9.6402","0.0006","11.3384","0.0008","13.9981","0.0012","83.054","0.006","83.325","0.006","86.826","0.005","1507.2","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H72 N6 O10 S2 -","- C62 H72 N6 O10 S2 -","- C62 H72 N6 O10 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1001","0.0679","","","0.1753","0.1988","","","","","","1.033","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235912","8.8152","0.0006","9.3074","0.0009","19.3273","0.0011","87.102","0.006","89.767","0.005","63.85","0.008","1421.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H68 N2 O10 S6 -","- C58 H68 N2 O10 S6 -","- C58 H68 N2 O10 S6 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1079","0.0669","","","0.148","0.1657","","","","","","1.06","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235913","10.2797","0.001","10.6209","0.0014","12.2253","0.0009","81.195","0.009","74.204","0.008","69.673","0.011","1201.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 N2 O8 S2 -","- C54 H52 N2 O8 S2 -","- C54 H52 N2 O8 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.105","0.0652","","","0.1549","0.1797","","","","","","1.05","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235914","10.8382","0.0011","13.004","0.001","17.5401","0.0016","96.672","0.007","91.67","0.008","94.678","0.008","2445.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 N2 O10 S2 -","- C52 H56 N2 O10 S2 -","- C104 H112 N4 O20 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.112","0.0624","","","0.1348","0.1617","","","","","","1.012","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235915","15.2948","0.0007","18.2388","0.0013","9.5627","0.0006","90","","90","","90","","2667.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H62 N2 O9 S2 -","- C56 H62 N2 O9 S2 -","- C112 H124 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0712","0.0644","","","0.0884","0.1012","","","","","","1.012","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235916","18.878","0.003","15.3625","0.0017","9.4488","0.001","90","","90","","90","","2740.3","0.6","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H66 N2 O9 S2 -","- C58 H66 N2 O9 S2 -","- C116 H132 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1137","0.0686","","","0.1349","0.1562","","","","","","1.064","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235917","19.8998","0.0009","15.4214","0.0006","9.2206","0.0003","90","","90","","90","","2829.64","0.19","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H70 N2 O9 S2 -","- C60 H70 N2 O9 S2 -","- C120 H140 N4 O18 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.1005","0.0651","","","0.121","0.1395","","","","","","1.046","","","","has coordinates,has disorder","233750","2020-10-21","18:00:00",""
"7235918","13.8413","0.0012","12.9378","0.0008","18.2777","0.0017","90","","125.265","0.006","90","","2672.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 N4 O11 S2 -","- C56 H64 N4 O11 S2 -","- C112 H128 N8 O22 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan","Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium","RSC Advances","2015","5","52","41692","","10.1039/C5RA04497A","","","0.71073","MoKα","","0.0914","0.0601","","","0.1398","0.161","","","","","","1.027","","","","has coordinates","233750","2020-10-21","18:00:00",""
"7235919","11.3123","0.0008","14.8291","0.001","10.8777","0.0008","90","","102.943","0.007","90","","1778.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)","","- C18 H24 N6 O4 -","- C17 H20 N6 O5 -","- C68 H80 N24 O20 -","4","1","","Brahmachari, Goutam; Banerjee, Bubun","Ceric ammonium nitrate (CAN): an efficient and eco-friendly catalyst for the one-pot synthesis of alkyl/aryl/heteroaryl-substituted bis(6-aminouracil-5-yl)methanes at room temperature","RSC Advances","2015","5","49","39263","","10.1039/C5RA04723D","","","0.71073","MoKα","","0.0823","0.052","","","0.1292","0.1497","","","","","","1.068","","","","has coordinates","233752","2020-10-21","18:00:00",""
"7235920","10.802","0.002","27.406","0.006","13.233","0.003","90","","100.08","0.03","90","","3857","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C51H37N3","PTPAT","","- C51 H37 N3 -","- C51 H37 N3 -","- C204 H148 N12 -","4","1","","Ouyang, Xinhua; Li, Xiang-Long; Bai, Yongqi; Mi, Dongbo; Ge, Ziyi; Su, Shi-Jian","Highly-efficient hybrid white organic light-emitting diodes based on a high radiative exciton ratio deep-blue emitter with improved concentration of phosphorescent dopant","RSC Advances","2015","5","41","32298","","10.1039/C5RA05432J","","","0.71073","MoKα","","0.1375","0.0949","","","0.2326","0.2606","","","","","","1.144","","","","has coordinates,has disorder","233753","2020-10-21","18:00:00",""
"7235921","6.9901","0.0007","10.924","0.0011","12.1442","0.0013","97.445","0.002","98.875","0.002","105.9","0.002","866.64","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl Fe N4 O3 -","- C18 H12 Cl Fe N4 O3 -","- C36 H24 Cl2 Fe2 N8 O6 -","2","1","","Fu, Ling-Zhi; Zhou, Ling-Ling; Zhan, Shu-Zhong","Electrochemical-driven water reduction and oxidation catalyzed by an iron(iii) complex supported by 2,3-bis(2-hydroxybenzylideneimino)-2,3-butenedinitrile","RSC Advances","2015","5","53","42287","","10.1039/C5RA05520B","","","0.71073","MoKα","","0.0395","0.0306","","","0.087","0.0922","","","","","","1.043","","","","has coordinates","233755","2020-10-21","18:00:00",""
"7235922","9.0447","0.0015","11.7121","0.0019","18.619","0.003","90","","90","","90","","1972.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Mishra, Amrita; Mishra, Bhuwan B.; Tiwari, Vinod K.","Regioselective facile synthesis of novel isoxazole-linked glycoconjugates","RSC Advances","2015","5","52","41520","","10.1039/C5RA05905D","","","0.71073","MoKα","","0.0626","0.0515","","","0.138","0.1471","","","","","","1.07","","","","has coordinates","233757","2020-10-21","18:00:00",""
"7235923","11.0822","0.0007","11.5824","0.0007","15.3798","0.0014","96.815","0.004","99.359","0.004","115.128","0.003","1724.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H29 N O5 -","- C17 H29 N O5 -","- C68 H116 N4 O20 -","4","4","","Huang, Chih-Yu; Chen, Li-Hsun; Huang, Hsuan-Yu; Kao, Feng-Sheng; Lee, Yun-Ta; Selvaraju, Manikandan; Sun, Chung-Ming; Chen, Hueih-Min","Parallel synthesis and biological evolution of quinic acid derivatives as immuno-suppressing agents against T-cell receptors","RSC Advances","2015","5","63","50801","","10.1039/C5RA06095H","","","0.71073","MoKα","","0.0777","0.0599","","","0.1379","0.1859","","","","","","1.069","","","","has coordinates","233758","2020-10-21","18:00:00",""
"7235924","11.3254","0.0014","12.8643","0.0016","7.6518","0.001","90","","101.62","0.002","90","","1092","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Naresh Kumar Reddy, N.; Adimurthy, Subbarayappa","Substrate selective synthesis of pyrazolo[1,5-a]pyridines through [3 + 2] cycloaddition of N-aminopyridines and β-nitro styrenes","RSC Advances","2015","5","53","42961","","10.1039/C5RA06707C","","","0.71073","MoKα","","0.0486","0.0424","","","0.1138","0.1212","","","","","","1.016","","","","has coordinates","233760","2020-10-21","18:00:00",""
"7235925","8.8713","0.0005","7.0968","0.0004","12.0516","0.0006","90","","110.095","0.003","90","","712.55","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0573","0.0434","","","0.1095","0.12","","","","","","1.048","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235926","7.2089","0.0004","8.7381","0.0005","10.2105","0.0006","78.365","0.002","88.899","0.002","67.042","0.002","578.8","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl N O3 -","- C13 H8 Cl N O3 -","- C26 H16 Cl2 N2 O6 -","2","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0441","0.037","","","0.103","0.1088","","","","","","1.04","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235927","7.3355","0.0003","10.3916","0.0004","14.2893","0.0005","82.618","0.002","86.176","0.002","84.05","0.002","1072.82","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","2","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0561","0.038","","","0.1004","0.1165","","","","","","1.077","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235928","9.2951","0.0008","17.4748","0.0014","13.755","0.0011","90","","100.27","0.005","90","","2198.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F N O3 -","- C13 H8 F N O3 -","- C104 H64 F8 N8 O24 -","8","2","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.1498","0.0628","","","0.1153","0.1433","","","","","","1.042","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235929","17.0453","0.0011","4.0783","0.0003","18.944","0.0012","90","","115.131","0.003","90","","1192.25","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl N O2 -","- C13 H12 Cl N O2 -","- C52 H48 Cl4 N4 O8 -","4","1","","Kumar, Amit; Sattar, Moh.; Verma, Ajay; Dara, Ankit; Kumar, Sangit","Double functionalization of 2-amino-2′-hydroxy-1,1′-biaryls: synthesis of 4-nitro-dibenzofurans and benzofuro-indoles","RSC Advances","2015","5","56","44728","","10.1039/C5RA07328F","","x-ray","0.71073","MoKα","","0.0399","0.0367","","","0.1046","0.1082","","","","","","1.072","","","","has coordinates","233761","2020-10-21","18:00:00",""
"7235930","15.285","0.003","18.355","0.004","7.596","0.0016","90","","90","","90","","2131.1","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H18 Br N O2 -","- C26 H18 Br N O2 -","- C104 H72 Br4 N4 O8 -","4","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water‒PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1696","0.0888","","","0.2049","0.2461","","","","","","1.023","","","","has coordinates","233763","2020-10-21","18:00:00",""
"7235931","7.734","0.001","20.297","0.003","26.738","0.003","90","","90","","90","","4197.3","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl N O2 -","- C26 H18 Cl N O2 -","- C208 H144 Cl8 N8 O16 -","8","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water‒PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1836","0.0792","","","0.1959","0.2321","","","","","","1.249","","","","has coordinates","233763","2020-10-21","18:00:00",""
"7235932","9.9831","0.0018","19.432","0.004","30.421","0.005","90","","90","","90","","5901.4","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18.5 N2 O -","- C17 H18 N2 O -","- C272 H288 N32 O16 -","16","2","","Majumdar, Swapan; Chakraborty, Mithun; Pramanik, Nabyendu; Maiti, Dilip K.","Grindstone chemistry: protic ionic liquid-substrate tuned green synthesis of 1,2-disubstituted and 2-substituted benzimidazoles with outstanding selectivity","RSC Advances","2015","5","63","51012","","10.1039/C5RA08183A","","","0.71073","MoKα","","0.0744","0.0532","","","0.0786","0.081","","","","","","2.524","","","","has coordinates","233764","2020-10-21","18:00:00",""
"7235933","9.9262","0.0013","17.2292","0.0009","9.7256","0.0008","90","","90","","90","","1663.3","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H18 N2 S2 Sn -","- C14 H18 N2 S2 Sn -","- C56 H72 N8 S8 Sn4 -","4","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","1.54184","CuKα","","0.1017","0.0706","","","0.2017","0.2518","","","","","","1.091","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235934","10.6207","0.0015","11.907","0.005","11.589","0.002","90","","91.786","0.013","90","","1464.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl N2 S Sn -","- C10 H17 Cl N2 S Sn -","- C40 H68 Cl4 N8 S4 Sn4 -","4","1","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","0.71069","MoKα","","0.1392","0.0538","","","0.112","0.1365","","","","","","0.99","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235935","8","0.001","20.119","0.004","16.731","0.002","90","","90","","90","","2692.9","0.7","298","2","298","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H13 Cl N2 S Sn -","- C8 H13 Cl N2 S Sn -","- C64 H104 Cl8 N16 S8 Sn8 -","8","0.5","","Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Jain, Vimal K.; Kumar, Mukesh; Vishwanadh, B.","Diorganotin(iv) 2-pyridyl and 2-pyrimidyl thiolates: synthesis, structures and their utility as molecular precursors for the preparation of tin sulfide nanosheets","RSC Advances","2015","5","77","62882","","10.1039/C5RA09267A","","","0.71069","MoKα","","0.1411","0.0546","","","0.1033","0.128","","","","","","0.976","","","","has coordinates","233766","2020-10-21","18:00:00",""
"7235936","11.9577","0.0013","12.2216","0.0013","13.5034","0.0014","102.535","0.002","98.857","0.002","107.293","0.002","1788.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N3 Nd O11 -","- C27 H34 N3 Nd O11 -","- C54 H68 N6 Nd2 O22 -","2","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0993","0.0895","","","0.243","0.2493","","","","","","1.172","","","","has coordinates,has disorder","233768","2020-10-21","18:00:00",""
"7235937","18.8575","0.001","21.8147","0.0012","12.8837","0.0006","90","","90","","90","","5300","0.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H29 N2 Nd O9 -","- C26 H29 N2 Nd O9 -","- C208 H232 N16 Nd8 O72 -","8","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0622","0.0492","","","0.1124","0.119","","","","","","1.05","","","","has coordinates,has disorder","233768","2020-10-21","18:00:00",""
"7235938","9.832","0.0003","21.3218","0.0007","13.7949","0.0004","90","","105.602","0.0014","90","","2785.35","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N2 Nd O10 -","- C26 H27 N2 Nd O10 -","- C104 H108 N8 Nd4 O40 -","4","1","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Ke, Szu-Yu; Cheng, Yi-Ting; Yang, Ching-Chun; Lee, Gene-Hsiang; Chang, Chung-Kai; Sheu, Hwo-Shuenn","Assembly of three Nd(iii) 2,6-naphthalenedicarboxylates (ndc2−) 3D coordination polymers based on various secondary building units (SBUs): structural diversity and gas sorption properties","RSC Advances","2015","5","112","92378","","10.1039/C5RA10799G","","","0.71073","MoKα","","0.0684","0.0473","","","0.1252","0.1361","","","","","","1.06","","","","has coordinates","233768","2020-10-21","18:00:00",""
"7235939","44.873","0.002","16.4811","0.001","16.1764","0.0011","90","","103.144","0.007","90","","11649.9","1.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 O8 -","- C60 H80 O8 -","- C480 H640 O64 -","8","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","0.1408","0.0867","","","0.2459","0.2845","","","","","","1.003","","","","has coordinates,has disorder","233771","2020-10-21","18:00:00",""
"7235940","15.829","0.011","16.002","0.01","20.195","0.012","94.815","0.018","91.045","0.016","116.086","0.014","4569","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H122 N4 O11 -","- C111 H122 N4 O11 -","- C222 H244 N8 O22 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.1085","","","","0.3493","","","","","","1.034","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235941","23.2226","0.0016","20.3406","0.0012","12.1702","0.0006","90","","90","","90","","5748.7","0.6","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C65 H85 N O8 -","- C65 H85 N O8 -","- C260 H340 N4 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0759","","","","0.2233","","","","","","0.967","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235942","23.2197","0.0016","20.5223","0.0004","12.0874","0.0003","90","","90","","90","","5759.9","0.4","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C68 H88 O8 -","- C68 H88 O8 -","- C272 H352 O32 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71075","MoKα","","","0.0437","","","","0.1247","","","","","","1.089","","","","has coordinates","233771","2020-10-21","18:00:00",""
"7235943","12.8462","0.0004","25.706","0.0008","18.2551","0.0013","90","","93.941","0.007","90","","6014","0.5","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 O8 -","- C64 H96 O8 -","- C256 H384 O32 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Effect of the resorcin[4]arene host on the catalytic epoxidation of a Mn(iii)-based resorcin[4]arene‒metalloporphyrin conjugate","RSC Advances","2015","5","107","88154","","10.1039/C5RA13767E","","","0.71073","MoKα","","0.0708","0.0499","","","0.1321","0.1444","","","","","","1.081","","","","has coordinates,has disorder","233771","2020-10-21","18:00:00",""
"7235944","4.719","0.0013","22.606","0.006","11.214","0.003","90","","92.837","0.003","90","","1194.8","0.6","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C48 H52 Cl4 N8 O8 -","4","1","","Zhang, Xuan; Song, Guang-Jie; Cao, Xiang-Jian; Liu, Jin-Ting; Chen, Ming-Yu; Cao, Xiao-Qun; Zhao, Bao-Xiang","A new fluorescent pH probe for acidic conditions","RSC Advances","2015","5","109","89827","","10.1039/C5RA14174E","","","0.71","MoKα","","0.0313","0.0298","","","0.0766","0.0781","","","","","","1.038","","","","has coordinates","233774","2020-10-21","18:00:00",""
"7235945","14.6957","0.0003","4.84494","0.00011","23.1542","0.0005","90","","102.219","0.002","90","","1611.23","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-N'-(2-(allyloxy)benzylidene)-2-(4-bromophenyl)acetohydrazide","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C72 H68 Br4 N8 O8 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed","Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies","RSC Advances","2015","5","110","90806","","10.1039/C5RA14836G","","","1.54184","CuKα","","0.0616","0.0531","","","0.1342","0.1408","","","","","","1.039","","","","has coordinates","233776","2020-10-21","18:00:00",""
"7235946","20.4423","0.0011","5.5758","0.0003","7.635","0.0007","90","","98.621","0.007","90","","860.42","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","E)-N'-(biphenyl-4-ylmethylene)-2-(4-bromophenyl)acetohydrazide","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C42 H34 Br2 N4 O2 -","2","1","","Khan, Imtiaz; Ibrar, Aliya; Ejaz, Syeda Abida; Khan, Shafi Ullah; Shah, Syed Jawad Ali; Hameed, Shahid; Simpson, Jim; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed","Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies","RSC Advances","2015","5","110","90806","","10.1039/C5RA14836G","","","1.54184","CuKα","","0.0914","0.0858","","","0.2443","0.2495","","","","","","1.13","","","","has coordinates","233776","2020-10-21","18:00:00",""
"7235947","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","","Dadsetani, M.; Omidi, A. R.","Ab initio study on optical properties of glycine sodium nitrate: a novel semiorganic nonlinear optical crystal","RSC Advances","2015","5","110","90559","","10.1039/C5RA14945B","","","0.71073","MoKα","","0.029","0.029","","","0.077","0.078","","","","","","1.071","","","","has coordinates","233779","2020-10-21","18:00:00",""
"7235948","22.372","0.0018","10.6579","0.0009","8.0526","0.0007","90","","90","","90","","1920.1","0.3","153","2","153","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H25 B F2 N2 O2 -","- C21 H25 B F2 N2 O2 -","- C84 H100 B4 F8 N8 O8 -","4","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0384","0.0314","","","0.0675","0.0701","","","","","","1.059","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235949","7.1062","0.0009","22.149","0.003","16.237","0.002","90","","99.192","0.002","90","","2522.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O4 S -","- C25 H34 N2 O4 S -","- C100 H136 N8 O16 S4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0722","0.0498","","","0.1221","0.1427","","","","","","1.033","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235950","7.417","0.005","11.759","0.005","15.714","0.005","106.783","0.005","98.029","0.005","97.972","0.005","1275.9","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O2 Se -","- C21 H26 N2 O2 Se -","- C42 H52 N4 O4 Se2 -","2","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.0636","0.0423","","","0.1008","0.1071","","","","","","0.969","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235951","14.6181","0.0019","11.4652","0.0014","15.805","0.003","90","","107.013","0.004","90","","2533","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N2 O2 S -","- C27 H29 B N2 O2 S -","- C108 H116 B4 N8 O8 S4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.244","0.0625","","","0.1059","0.1581","","","","","","0.925","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235952","14.5257","0.0008","11.2585","0.0006","15.9893","0.0009","90","","106.794","0.002","90","","2503.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B N2 O2 Se -","- C27 H29 B N2 O2 Se -","- C108 H116 B4 N8 O8 Se4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.078","0.0455","","","0.1059","0.1286","","","","","","1.093","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235953","11.9074","0.0006","12.1853","0.0006","17.801","0.0009","93.32","0.002","103.831","0.002","103.498","0.002","2420.9","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H108 B4 F8 N8 O8 S4 -","- C88 H108 B4 F8 N8 O8 S4 -","- C88 H108 B4 F8 N8 O8 S4 -","1","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.1478","0.0751","","","0.1772","0.1993","","","","","","0.96","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235954","41.799","0.008","7.8933","0.0016","26.972","0.005","90","","108.32","0.03","90","","8448","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C352 H448 N32 O32 S16 -","16","2","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.1462","0.0666","","","0.1406","0.1721","","","","","","1.02","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235955","20.261","0.004","46.298","0.009","8.3561","0.0017","90","","90","","90","","7838","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C336 H368 N32 O32 S16 -","8","0.5","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.058","0.0481","","","0.1128","0.1201","","","","","","1.07","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235956","11.811","0.005","14.264","0.005","17.76","0.005","90","0.005","102.367","0.005","90","0.005","2922.6","1.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 B F2 N2 O2 P -","- C33 H34 B F2 N2 O2 P -","- C132 H136 B4 F8 N8 O8 P4 -","4","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones","RSC Advances","2015","5","107","87888","","10.1039/C5RA15333F","","","0.71073","MoKα","","0.116","0.0608","","","0.1162","0.139","","","","","","1.021","","","","has coordinates","233782","2020-10-21","18:00:00",""
"7235957","10.8633","0.0005","12.9671","0.0004","14.6615","0.0005","90","","104.876","0.004","90","","1996.08","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C80 H84 F12 N8 O16 -","4","1","","Li, Ke; Zhao, Xue-Mei; Yang, Fa-Liu; Hou, Xiao-Han; Xu, Yan; Guo, Yan-Chun; Hao, Xin-Qi; Song, Mao-Ping","Catalyst-free Friedel‒Crafts hydroxyalkylation of imidazo[1,2-α]pyridines with ethyl trifluoropyruvate","RSC Advances","2015","5","110","90478","","10.1039/C5RA15678E","","","1.54184","CuKα","","0.0479","0.0407","","","0.1073","0.1139","","","","","","1.031","","","","has coordinates,has disorder","233784","2020-10-21","18:00:00",""
"7235958","12.4185","0.0004","19.1948","0.0007","24.2024","0.0009","90","","90","","90","","5769.1","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N3 O8 Si -","- C30 H31 N3 O8 Si -","- C240 H248 N24 O64 Si8 -","8","1","","Wang, Biao; Leng, Hai-Jun; Yang, Xue-Yuan; Han, Bo; Rao, Chao-Long; Liu, Li; Peng, Cheng; Huang, Wei","Efficient synthesis of tetrahydronaphthalene- or isochroman-fused spirooxindoles using tandem reactions","RSC Advances","2015","5","107","88272","","10.1039/C5RA15735H","","","0.71073","MoKα","","0.0902","0.0519","","","0.1343","0.1567","","","","","","1.028","","","","has coordinates","233786","2020-10-21","18:00:00",""
"7235959","12.573","0.002","15.09","0.003","21.612","0.004","100.154","0.003","103.996","0.003","94.967","0.003","3880.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H60 Mn2 N12 O8 Ru2 -","- C68 H60 Mn2 N12 O8 Ru2 -","- C136 H120 Mn4 N24 O16 Ru4 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0814","0.0557","","","0.1452","0.1586","","","","","","0.919","","","","has coordinates","233788","2020-10-21","18:00:00",""
"7235960","11.3228","0.0008","13.2197","0.001","14.341","0.0011","79.965","0.001","85.024","0.001","81.508","0.001","2086.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0663","0.0583","","","0.1379","0.1416","","","","","","1.168","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235961","9.9611","0.0013","12.0243","0.0016","12.4374","0.0017","103.509","0.002","102.368","0.002","94.169","0.002","1403","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu N12 O4 Ru2 -","- C48 H48 Cu N12 O4 Ru2 -","- C48 H48 Cu N12 O4 Ru2 -","1","0.5","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0453","0.0419","","","0.146","0.1516","","","","","","1.057","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235962","11.2322","0.0011","12.9655","0.0013","17.3258","0.0018","84.393","0.002","81.625","0.002","71.103","0.002","2358.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Mn N6 O4 Ru -","- C43 H36 Mn N6 O4 Ru -","- C86 H72 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0449","0.0332","","","0.1019","0.1081","","","","","","1.104","","","","has coordinates","233788","2020-10-21","18:00:00",""
"7235963","11.68","0.003","13.56","0.003","17.386","0.004","82.361","0.004","78.858","0.004","67.126","0.003","2484.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Mn N6 O4 Ru -","- C46 H34 Mn N6 O4 Ru -","- C92 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Zong, Tian-Xiang; Ge, Jing-Yuan; Yao, Min-Xia; Zuo, Jing-Lin","The new dicyanoruthenium(iii) building block with 2′-hydroxyacetophenone imine for heterobimetallic complexes","RSC Advances","2015","5","113","93470","","10.1039/C5RA15752H","","","0.71073","MoKα","","0.0904","0.0654","","","0.1728","0.183","","","","","","1.106","","","","has coordinates,has disorder","233788","2020-10-21","18:00:00",""
"7235964","10.1792","0.0015","6.7279","0.0009","12.8158","0.0018","90","","111.698","0.004","90","","815.5","0.2","571","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H16 Co2 N4 O11 -","- C9 H8 Co2 N4 O11 -","- C18 H16 Co4 N8 O22 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","0.71073","MoKα","","0.038","0.0345","","","0.0954","0.0983","","","","","","1.025","","","","has coordinates","233790","2020-10-21","18:00:00",""
"7235965","10.015","0.0009","6.6124","0.0005","12.4721","0.0011","90","","109.412","0.002","90","","778.99","0.11","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 Cu2 N4 O10 -","- C9 H8 Cu2 N4 O10 -","- C18 H16 Cu4 N8 O20 -","2","0.5","","Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping","Spin-canting magnetization in 3D metal organic frameworks based on strip-shaped Δ-chains","RSC Advances","2015","5","94","76752","","10.1039/C5RA15937G","","","1.54178","CuKα","","0.1726","0.105","","","0.2335","0.2989","","","","","","1.002","","","","has coordinates,has disorder","233790","2020-10-21","18:00:00",""
"7235966","14.0141","0.0012","11.9783","0.001","20.0014","0.0018","90","","106.989","0.004","90","","3211","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co Mn N8 O3 -","- C32 H26 Co Mn N8 O3 -","- C128 H104 Co4 Mn4 N32 O12 -","4","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Marino, Nadia; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel","{CoIIIMnIII}ncorrugated chains based on heteroleptic cyanido metalloligands","RSC Advances","2015","5","116","95410","","10.1039/C5RA16307B","","","0.71073","MoKα","","0.0605","0.0401","","","0.1233","0.1435","","","","","","1.112","","","","has coordinates","233792","2020-10-21","18:00:00",""
"7235967","13.206","0.003","12.307","0.003","20.386","0.005","90","","104.201","0.013","90","","3212","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Co Mn N8 O2 -","- C34 H26 Co Mn N8 O2 -","- C136 H104 Co4 Mn4 N32 O8 -","4","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Marino, Nadia; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel","{CoIIIMnIII}ncorrugated chains based on heteroleptic cyanido metalloligands","RSC Advances","2015","5","116","95410","","10.1039/C5RA16307B","","","0.71073","MoKα","","0.0522","0.0392","","","0.1098","0.1242","","","","","","1.134","","","","has coordinates","233792","2020-10-21","18:00:00",""
"7235968","6.3894","0.0001","11.8924","0.0002","19.9718","0.0004","90","","90","","90","","1517.56","0.05","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Shi, Zhi-Ran; Shen, Yun-Heng; Zhang, Xian-Yuan; Fang, Xin; Zeng, Ren-Tao; Liu, Qing-Xin; Zhuo, Zhi-Guo; Feng, Feng; Zhang, Wei-Dong","Structurally novel C17-sesquiterpene lactones from Ainsliaea pertyoides","RSC Advances","2015","5","111","91640","","10.1039/C5RA16551B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0881","0.0896","","","","","","1.06","","","","has coordinates","233794","2020-10-21","18:00:00",""
"7235969","10.7231","0.0014","11.7791","0.0016","13.958","0.0019","109.907","0.002","93.565","0.003","107.606","0.003","1553","0.4","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 Br2 N4 Ni4 O25 -","- C50 H78 Br2 N4 Ni4 O25.0002 -","- C50 H78 Br2 N4 Ni4 O25.0002 -","1","0.5","","Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath","Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis","RSC Advances","2015","5","120","99270","","10.1039/C5RA16555E","","","0.71073","MoKα","","0.0486","0.0356","","","0.0965","0.1034","","","","","","1.05","","","","has coordinates,has disorder","233796","2020-10-21","18:00:00",""
"7235970","17.6138","0.0003","17.4519","0.0003","19.6556","0.0005","90","","90","","90","","6042","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49.2 H76.4 Cl2 N4 Ni4 O30 -","- C49.2 H72.8 Cl2 N4 Ni4 O30 -","- C196.8 H291.2 Cl8 N16 Ni16 O120 -","4","0.5","","Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath","Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis","RSC Advances","2015","5","120","99270","","10.1039/C5RA16555E","","","1.54184","CuKα","","0.0637","0.0587","","","0.1609","0.1673","","","","","","1.046","","","","has coordinates,has disorder","233796","2020-10-21","18:00:00",""
"7235971","7.8815","0.0002","18.8766","0.0005","8.5933","0.0002","90","","95.499","0.001","90","","1272.59","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 Ni -","- C13 H14 Cl N3 Ni -","- C52 H56 Cl4 N12 Ni4 -","4","1","","Pinheiro, A. C.; Virgili, A. H.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, O. L.","Ni(ii) complexes bearing pyrrolide-imine ligands with pendant N-, O- and S-donor groups: synthesis, structural characterization and use in ethylene oligomerization","RSC Advances","2015","5","111","91524","","10.1039/C5RA16782E","","x-ray","0.71073","MoKα","","0.0305","0.024","","","0.0534","0.0565","","","","","","1.031","","","","has coordinates","233798","2020-10-21","18:00:00",""
"7235972","10.86","0.005","11.654","0.005","11.196","0.005","90","","108.693","0.008","90","","1342.2","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H N O -","- C2.07407 H2.07407 N0.148148 O0.592593 -","- C56 H56 N4 O16 -","27","6.75","","Yan, Jianwei; Ni, Tianjun; Yan, Fulin; Zhang, Jixia; Zhuang, Fangfang","Friedel‒Crafts reaction of indoles with vicinal tricarbonyl compounds generated in situ from 1,3-dicarbonyl compounds and TEMPO: highly selective synthesis of tertiary alcohols","RSC Advances","2015","5","109","89906","","10.1039/C5RA17383C","","","0.71073","MoKα","","0.0847","0.0622","","","0.1854","0.2104","","","","","","1.057","","","","has coordinates","233799","2020-10-21","18:00:00",""
"7235973","8.5087","0.0008","10.5551","0.001","10.9292","0.0011","101.832","0.005","90.563","0.005","111.879","0.005","887.47","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Cl2 N3 O2 S -","- C19 H11 Cl2 N3 O2 S -","- C38 H22 Cl4 N6 O4 S2 -","2","1","","Viveka, Shivapura; Dinesha, Dinesha; Shama, Prasanna; Naveen, Shivalingegowda; Lokanath, Neratur Krishnappagowda; Nagaraja, Gundibasappa Karikannar","Design, synthesis, anticonvulsant and analgesic studies of new pyrazole analogues: a Knoevenagel reaction approach","RSC Advances","2015","5","115","94786","","10.1039/C5RA17391D","","","1.54178","CuKα","","0.0593","0.0499","","","0.1373","0.1497","","","","","","1.035","","","","has coordinates","233800","2020-10-21","18:00:00",""
"7235974","7.7265","0.0007","7.7446","0.0007","16.6941","0.0015","102.946","0.001","93.552","0.001","92.329","0.001","970.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 B F2 N2 -","- C10 H9 B F2 N2 -","- C40 H36 B4 F8 N8 -","4","2","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71073","MoKα","","0.07","0.0454","","","0.1221","0.1379","","","","","","1.052","","","","has coordinates","233802","2020-10-21","18:00:00",""
"7235975","10.926","0.0009","12.1904","0.001","13.1824","0.0011","103.996","0.001","99.116","0.001","90.038","0.001","1680.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B F2 N2 -","- C17 H23 B F2 N2 -","- C68 H92 B4 F8 N8 -","4","2","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71073","MoKα","","0.0719","0.0462","","","0.1135","0.1293","","","","","","0.988","","","","has coordinates","233802","2020-10-21","18:00:00",""
"7235976","16.054","0.002","12.6204","0.0019","13.685","0.003","90","","120.228","0.001","90","","2395.7","0.7","293","2","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H26 B2 F4 N4 -","- C24 H26 B2 F4 N4 -","- C96 H104 B8 F16 N16 -","4","1","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71","MoKα","","0.0558","0.0373","","","0.0872","0.0987","","","","","","1.01","","","","has coordinates,has disorder","233802","2020-10-21","18:00:00",""
"7235977","14.254","0.002","13.5629","0.0019","6.4554","0.0009","90","","90","","90","","1248","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","","Jiao, Lijuan; Yu, Changjiang; Wang, Jun; Briggs, Edward A.; Besley, Nicholas A.; Robinson, David; Ruedas-Rama, María J.; Orte, Angel; Crovetto, Luis; Talavera, Eva M.; Alvarez-Pez, Jose M.; Van der Auweraer, Mark; Boens, Noël","Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes","RSC Advances","2015","5","109","89375","","10.1039/C5RA17419H","","","0.71073","MoKα","","0.1318","0.0764","","","0.2216","0.2688","","","","","","1.037","","","","has coordinates","233802","2020-10-21","18:00:00",""
"7235978","9.324","0.005","12.9","0.007","18.496","0.01","106.65","0.008","94.335","0.008","91.856","0.007","2122","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Ir N7 O2 S2 -","- C40 H36 Ir N7 O2 S2 -","- C80 H72 Ir2 N14 O4 S4 -","2","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0388","0.0307","","","0.0633","0.0653","","","","","","0.965","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235979","14.908","0.003","14.425","0.003","23.345","0.005","90","","94.332","0.004","90","","5006","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Ir N7 O2 S2 -","- C54 H36 Ir N7 O2 S2 -","- C216 H144 Ir4 N28 O8 S8 -","4","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0412","0.0293","","","0.0691","0.0722","","","","","","1.017","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235980","27.554","0.013","17.381","0.008","23.473","0.011","90","","122.764","0.007","90","","9453","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ir N5 O4 S2 -","- C46 H34 Ir N5 O4 S2 -","- C368 H272 Ir8 N40 O32 S16 -","8","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0368","0.0267","","","0.0636","0.0662","","","","","","1.05","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235981","11.3735","0.0011","12.2222","0.0011","21.987","0.002","90","","93.385","0.001","90","","3051.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir1","","","- C30 H18 Ir N5 O2 S2 -","- C30 H18 Ir N5 O2 S2 -","- C120 H72 Ir4 N20 O8 S8 -","4","1","","Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei","Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations","RSC Advances","2015","5","118","97841","","10.1039/C5RA17437F","","","0.71073","MoKα","","0.0399","0.026","","","0.0565","0.0595","","","","","","1.017","","","","has coordinates","233804","2020-10-21","18:00:00",""
"7235982","7.201","0.003","10.323","0.004","7.211","0.002","90","","96.096","0.007","90","","533","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C24 H18 N2 O10 -","2","1","","Cui, L.-Y.; Wang, Y.-H.; Chen, S.-R.; Wang, Y.-M.; Zhou, Z.-H.","Stereocontrolled construction of 3H-furo[3,4-b]chromen-1(9H)-one scaffolds via organocatalyzed Michael addition and the following intramolecular dehydration","RSC Advances","2015","5","107","88133","","10.1039/C5RA17503H","","","1.54187","CuKα","","0.0293","0.0284","","","0.0757","0.0764","","","","","","1.124","","","","has coordinates","233806","2020-10-21","18:00:00",""
"7235983","9.007","0.004","13.691","0.004","11.577","0.004","90","","112.637","0.001","90","","1317.6","0.8","173","2","173","2","","","","","","","Fidalrestat,Sorbinil,Catechln and so on","4","P 1 21 1","P 2yb","4","NO","(2R,3R,4R)-3'-Methyl-4-(nitromethyl)-1',2-diphenyl spiro[chroman-3,4'-pyrazol]-5'(1'H)-one","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C58 H62 N6 O10 -","2","1","","Zheng, Weiping; Zhang, Jiayong; Liu, Shuang; Yu, Chengbin; Miao, Zhiwei","Asymmetric synthesis of spiro[chroman-3,3′-pyrazol] scaffolds with an all-carbon quaternary stereocenter via a oxa-Michael‒Michael cascade strategy with bifunctional amine-thiourea organocatalysts","RSC Advances","2015","5","111","91108","","10.1039/C5RA17792H","","","1.54187","CuKα","","0.0312","0.0309","","","0.0837","0.084","","","","","","1.051","","","","has coordinates","233807","2020-10-21","18:00:00",""
"7235984","12.346","0.005","7.136","0.003","20.348","0.007","90","","105.843","0.017","90","","1724.6","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H52 N2 O8 -","- C35 H52 N2 O8 -","- C70 H104 N4 O16 -","2","1","","Maity, Mitasree; Sajisha, Valiparambil Sanjayan; Maitra, Uday","Hydrogelation of bile acid‒peptide conjugates and in situ synthesis of silver and gold nanoparticles in the hydrogel matrix","RSC Advances","2015","5","110","90712","","10.1039/C5RA17917C","","x-ray","0.71073","MoKα","","0.1652","0.0894","","","0.213","0.2445","","","","","","0.997","","","","has coordinates","233809","2020-10-21","18:00:00",""
"7235985","18.75","0.002","6.8019","0.0009","15.436","0.002","90","","94.233","0.007","90","","1963.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C96 H72 Br4 N8 O4 -","4","1","","Vinay Kumar, Koravangala S.; Lingaraju, Gejjalagere S.; Bommegowda, Yadaganahalli K.; Vinayaka, Ajjampura C.; Bhat, Pritesh; Pradeepa Kumara, Challanayakanahally S.; Rangappa, Kanchugarakoppal S.; Gowda, D. Channe; Sadashiva, Maralinganadoddi P.","Synthesis, antimalarial activity, and target binding of dibenzazepine-tethered isoxazolines","RSC Advances","2015","5","110","90408","","10.1039/C5RA17926B","","","1.54178","CuKα","","0.0978","0.0845","","","0.2246","0.2364","","","","","","1.029","","","","has coordinates","233811","2020-10-21","18:00:00",""
"7235986","11.2426","0.0007","11.7373","0.0007","19.2267","0.0011","90.0723","0.0014","94.1057","0.0016","93.7531","0.0015","2525.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H79 Al3 N2 O5 Si -","- C48 H79 Al3 N2 O5 Si -","- C96 H158 Al6 N4 O10 Si2 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0843","0.0552","","","0.1215","0.1369","","","","","","1.047","","","","has coordinates,has disorder","233813","2020-10-21","18:00:00",""
"7235987","12.0415","0.0005","14.6863","0.0007","15.6828","0.0007","66.119","0.001","68.027","0.001","87.277","0.001","2334.03","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H144 Al2 Li2 N4 O13 Si2 -","- C85.992 H143.984 Al2 Li2 N4 O12.998 Si2 -","- C85.992 H143.984 Al2 Li2 N4 O12.998 Si2 -","1","0.5","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.068","0.0513","","","0.137","0.1489","","","","","","1.031","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235988","11.569","0.001","23.28","0.002","17.56","0.002","90","","95.63","0.01","90","","4706.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H74 Al2 N2 O6 Si -","- C43 H74 Al2 N2 O6 Si -","- C172 H296 Al8 N8 O24 Si4 -","4","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0631","0.0471","","","0.1065","0.1149","","","","","","1.026","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235989","12.3921","0.0003","17.0679","0.0005","20.9414","0.0006","90","","90","","90","","4429.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H70 Al2 N2 O6 Si -","- C42 H70 Al2 N2 O6 Si -","- C168 H280 Al8 N8 O24 Si4 -","4","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0546","0.0434","","","0.0914","0.0981","","","","","","1.023","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235990","22.0822","0.0003","11.9421","0.0001","46.3436","0.0006","90","","103.718","0.001","90","","11872.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.25 H94 Al4 N2 O5 Si -","- C56.25 H94 Al4 N2 O5 Si -","- C450 H752 Al32 N16 O40 Si8 -","8","2","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","1.54178","CuKα","","0.0493","0.0419","","","0.1084","0.1137","","","","","","1.026","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235991","10.899","0.002","12.289","0.003","19.083","0.003","71.71","0.03","88.35","0.03","63.76","0.02","2158.5","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H66 Al Ga N2 O5 Si -","- C39 H66 Al Ga N2 O5 Si -","- C78 H132 Al2 Ga2 N4 O10 Si2 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0722","0.0503","","","0.1102","0.12","","","","","","1.014","","","","has coordinates","233815","2020-10-21","18:00:00",""
"7235992","11.236","0.001","22.588","0.002","22.603","0.002","60.545","0.001","83.87","0.001","77.316","0.001","4873.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H75 Al Ga2 N2 O5 Si -","- C44.5 H75 Al Ga2 N2 O5 Si -","- C178 H300 Al4 Ga8 N8 O20 Si4 -","4","2","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0783","0.0638","","","0.1671","0.1748","","","","","","1.104","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235993","12.348","0.001","22.49","0.002","16.843","0.002","90","","110.51","0.02","90","","4380.9","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C79.36 H130.72 Al2 N4 O10.84 Si2 Zn3 -","- C158.72 H261.44 Al4 N8 O21.68 Si4 Zn6 -","2","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0619","0.0456","","","0.0924","0.0992","","","","","","0.993","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7235994","23.675","0.003","29.299","0.004","34.539","0.004","90","","90","","90","","23958","5","200","2","200","","","","","","","","","5","A c a a :2","-A 2ab 2b","68","","","","- C54 H32 Cl18 Cu N4 -","- C54 H32 Cl18 Cu N4 -","- C864 H512 Cl288 Cu16 N64 -","16","1","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.2173","0.0857","","","0.2286","0.3088","","","","","","1.016","","","","has coordinates","233818","2020-10-21","18:00:00",""
"7235995","23.717","0.004","29.432","0.005","34.422","0.006","90","","90","","90","","24028","7","200","2","200","","","","","","","","","5","A c a a :2","-A 2ab 2b","68","","","","- C54 H32 Cl18 Mn N4 -","- C54 H32 Cl18 Mn N4 -","- C864 H512 Cl288 Mn16 N64 -","16","1","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.162","0.0875","","","0.2384","0.2856","","","","","","1.031","","","","has coordinates","233818","2020-10-21","18:00:00",""
"7235996","14.5708","0.0013","12.2088","0.0012","17.3624","0.0017","90","","90.061","0.002","90","","3088.6","0.5","200","2","200","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62.54 H63.32 Cl2 Mn N4 -","- C62.54 H63.32 Cl2 Mn N4 -","- C125.08 H126.64 Cl4 Mn2 N8 -","2","0.5","","Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay","Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks","RSC Advances","2015","5","102","84134","","10.1039/C5RA18499A","","","0.71073","MoKα","","0.0843","0.0522","","","0.17","0.1908","","","","","","1.098","","","","has coordinates,has disorder","233818","2020-10-21","18:00:00",""
"7235997","22.4406","0.0002","37.5572","0.0003","23.51115","0.00019","90","","90","","90","","19815.3","0.3","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C105 H83.5 B Cu3 F4 N4 O6 P6 -","- C105 H83.43 B Cu3 F4 N4 O6 P6 -","- C840 H667.44 B8 Cu24 F32 N32 O48 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0771","0.0733","","","0.1948","0.1972","","","","","","1.091","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7235998","37.5964","0.0004","22.4534","0.0003","23.4691","0.0002","90","","90","","90","","19811.8","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C105 H84 Cl Cu3 N4 O10 P6 -","- C105 H84 Cl Cu3 N4 O10 P6 -","- C840 H672 Cl8 Cu24 N32 O80 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0685","0.0604","","","0.1454","0.1496","","","","","","1.06","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7235999","37.4996","0.0002","22.3071","0.0001","23.6473","0.0001","90","","90","","90","","19781.1","0.16","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C216 H177 Cu6 F12 N11 O12 P14 -","- C216 H177 Cu6 F12 N11 O12 P14 -","- C864 H708 Cu24 F48 N44 O48 P56 -","4","0.5","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0743","0.0699","","","0.2008","0.205","","","","","","1.088","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7236000","29.9632","0.0004","22.3042","0.0003","30.6835","0.0004","90","","101.174","0.001","90","","20117.2","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H84 B Cu3 F10 N2 O2 P6 -","- C107 H84 B Cu3 F10 N2 O2 P6 -","- C856 H672 B8 Cu24 F80 N16 O16 P48 -","8","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0482","0.0412","","","0.1085","0.1133","","","","","","1.056","","","","has coordinates","233822","2020-10-21","18:00:00",""
"7236001","27.5828","0.0002","28.8914","0.0002","24.54769","0.00019","90","","103.705","0.0008","90","","19005.2","0.2","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C420 H343 B4 Cu12 F16 N8 O8 P24 -","- C840 H686 B8 Cu24 F32 N16 O16 P48 -","2","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.0416","0.0392","","","0.1005","0.1028","","","","","","1.016","","","","has coordinates","233822","2020-10-21","18:00:00",""
"7236002","22.36838","0.00019","34.9812","0.0003","25.4082","0.0002","90","","90.3117","0.0008","90","","19880.9","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C107 H90 B Cu3 F4 N2 O4 P6 -","- C107 H90 B Cu3 F4 N2 O4 P6 -","- C856 H720 B8 Cu24 F32 N16 O32 P48 -","8","2","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54184","CuKα","","0.1258","0.1195","","","0.3058","0.3089","","","","","","1.066","","","","has coordinates,has disorder","233822","2020-10-21","18:00:00",""
"7236003","17.9069","0.0001","23.0779","0.0002","27.5279","0.0003","90","","104.656","0.001","90","","11005.9","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H90 Cu3 F N2 O4 P6 -","- C107 H90 Cu3 F N2 O4 P6 -","- C428 H360 Cu12 F4 N8 O16 P24 -","4","1","","Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi","Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties","RSC Advances","2015","5","109","89669","","10.1039/C5RA18534C","","","1.54178","CuKα","","0.0497","0.0444","","","0.1233","0.1278","","","","","","1.029","","","","has coordinates","233822","2020-10-21","18:00:00",""
"7236004","9.6471","0.001","10.6608","0.0011","10.4107","0.001","90","","93.64","0.005","90","","1068.54","0.19","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C54 H46 N2 O4 -","2","1","","Gabr, Moustafa T.; Pigge, F. Christopher","Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene","RSC Advances","2015","5","110","90226","","10.1039/C5RA18724A","","","0.71073","MoKα","","0.0525","0.0448","","","0.1067","0.1134","","","","","","1.1","","","","has coordinates","233824","2020-10-21","18:00:00",""
"7236005","9.0727","0.0009","9.4508","0.0009","11.5627","0.0012","68.944","0.005","80.486","0.005","86.159","0.005","912.48","0.16","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Gabr, Moustafa T.; Pigge, F. Christopher","Synthesis and aggregation-induced emission properties of pyridine and pyridinium analogues of tetraphenylethylene","RSC Advances","2015","5","110","90226","","10.1039/C5RA18724A","","","0.71073","MoKα","","0.1284","0.0577","","","0.1292","0.1653","","","","","","0.925","","","","has coordinates","233824","2020-10-21","18:00:00",""
"7236006","16.7806","0.0006","16.7806","0.0006","12.2501","0.0013","90","","90","","90","","3449.5","0.4","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C56 H91 N13 Ni2 O17 -","- C53 H68 N12 Ni2 O8 -","- C106 H136 N24 Ni4 O16 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.07","0.0438","","","0.0901","0.0988","","","","","","0.983","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7236007","17.173","0.005","17.173","0.005","11.406","0.005","90","","90","","90","","3364","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C57 H96 N12 Ni2 O18 -","- C57 H76 N12 Ni2 O18 -","- C114 H152 N24 Ni4 O36 -","2","0.25","","Jiang, Xiang; Kou, Hui-Zhong","Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions","RSC Advances","2015","5","108","89052","","10.1039/C5RA18848B","","","0.71073","MoKα","","0.0775","0.0546","","","0.1452","0.159","","","","","","1.064","","","","has coordinates","233826","2020-10-21","18:00:00",""
"7236008","6.6494","0.0002","9.5276","0.0004","32.1006","0.0013","90","","90","","90","","2033.66","0.13","296","2","296","2","","","","","","","Synthesised","6","P b c a","-P 2ac 2ab","61","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","","- C9 H8 F N O S2 -","- C9 H8 F N O S2 -","- C72 H64 F8 N8 O8 S16 -","8","1","","Kumar, Sundaravel Vivek; Muthusubramanian, Shanmugam; Perumal, Subbu","A solvent- and catalyst-free domino reaction for the efficient synthesis of 3-arylthiazolidine-2-thiones under microwave irradiation","RSC Advances","2015","5","110","90451","","10.1039/C5RA19112B","","","0.71073","MoKα","","0.0501","0.0467","","","0.1577","0.1629","","","","","","1.014","","","","has coordinates","233828","2020-10-21","18:00:00",""
"7236009","8.798","0.004","10.031","0.005","17.925","0.004","90","","94.2","0.03","90","","1577.7","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3Ba","1-(tert-Butyl)-1,4-dihydro-3,5-dinitro-4-(4-methylphenyl)pyridine","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C64 H76 N12 O16 -","4","1","","Asahara, Haruyasu; Hamada, Mai; Nakaike, Yumi; Nishiwaki, Nagatoshi","Construction of 3,5-dinitrated 1,4-dihydropyridines modifiable at 1,4-positions by a reaction of β-formyl-β-nitroenamines with aldehydes","RSC Advances","2015","5","110","90778","","10.1039/C5RA19439C","","","0.71069","MoKα","","","0.0737","","","","0.2878","","","","","","0.973","","","","has coordinates,has disorder","233830","2020-10-21","18:00:00",""
"7236010","6.9329","0.001","12.2785","0.0018","19.091","0.003","90","","98.079","0.005","90","","1609","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O8 S -","- C14 H19 N O8 S -","- C56 H76 N4 O32 S4 -","4","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.1272","0.0576","","","0.0924","0.1102","","","","","","1.066","","","","has coordinates","233832","2020-10-21","18:00:00",""
"7236011","8.599","0.005","14.399","0.005","12.598","0.005","90","0.005","96.196","0.005","90","0.005","1550.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N O7 S -","- C14 H15 Cu N O7 S -","- C56 H60 Cu4 N4 O28 S4 -","4","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71069","MoKα","","0.0686","0.0439","","","0.0966","0.1049","","","","","","1.028","","","","has coordinates","233832","2020-10-21","18:00:00",""
"7236012","7.9237","0.0002","11.2344","0.0004","16.0644","0.0005","103.893","0.001","96.378","0.002","94.347","0.001","1371.79","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 S -","- C27 H28 Cu N4 O7 S -","- C54 H56 Cu2 N8 O14 S2 -","2","1","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0563","0.0414","","","0.1034","0.1125","","","","","","1.072","","","","has coordinates","233832","2020-10-21","18:00:00",""
"7236013","8.149","0.002","16.476","0.005","13.478","0.004","90","","94.476","0.01","90","","1804.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cu2 N4 O10 S2 -","- C38 H32 Cu2 N4 O10 S2 -","- C76 H64 Cu4 N8 O20 S4 -","2","0.5","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0731","0.0432","","","0.0807","0.0886","","","","","","1.045","","","","has coordinates","233832","2020-10-21","18:00:00",""
"7236014","7.7522","0.001","17.119","0.002","13.2121","0.0014","90","","92.839","0.004","90","","1751.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cu2 N2 O14 S2 -","- C32 H38 Cu2 N2 O14 S2 -","- C64 H76 Cu4 N4 O28 S4 -","2","0.5","","Hazra, Susanta; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Sulfonated Schiff base copper(ii) complexes as efficient and selective catalysts in alcohol oxidation: syntheses and crystal structures","RSC Advances","2015","5","109","90079","","10.1039/C5RA19498A","","","0.71073","MoKα","","0.0357","0.0321","","","0.0796","0.0816","","","","","","1.038","","","","has coordinates","233832","2020-10-21","18:00:00",""
"7236015","8.19022","0.00013","11.07458","0.00014","12.09766","0.00018","90","","92.6837","0.0013","90","","1096.09","0.03","294","2","294","2","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","2-quinolinealdehyde selenosemicarbazone","2-quinolinealdehyde selenosemicarbazone","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Marinković, Aleksandar; Verbić, Tatjana Ž.; Cvijetić, Ilija N.; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara R.; Muller, Christian D.","Zn(ii) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and -9 independent apoptose induction","RSC Advances","2015","5","115","95191","","10.1039/C5RA19849F","","x-ray","0.71073","MoKα","","0.0344","0.0246","","","0.0753","0.1035","","","","","","1.206","","","","has coordinates","233835","2020-10-21","18:00:00",""
"7236016","11.14856","0.00017","13.8814","0.00018","20.8541","0.0003","90","","98.519","0.0015","90","","3191.72","0.08","294","2","294","2","","","","","","","synthetic","7","P 1 21/c 1","-P 2ybc","14","bis(2-quinolinealdehyde selenosemicarbazone)zinc(II) perchlorate ethanol solvate","bis(2-quinolinealdehyde selenosemicarbazone)zinc(II) perchlorate ethanol solvate","","- C24 H26 Cl2 N8 O9 Se2 Zn -","- C24 H26 Cl2 N8 O9 Se2 Zn -","- C96 H104 Cl8 N32 O36 Se8 Zn4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Marinković, Aleksandar; Verbić, Tatjana Ž.; Cvijetić, Ilija N.; Senćanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara R.; Muller, Christian D.","Zn(ii) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and -9 independent apoptose induction","RSC Advances","2015","5","115","95191","","10.1039/C5RA19849F","","x-ray","0.71073","MoKα","","0.0515","0.0374","","","0.1021","0.1089","","","","","","1.072","","","","has coordinates,has disorder","233835","2020-10-21","18:00:00",""
"7236017","24.8641","0.0012","6.0228","0.0003","18.6609","0.001","90","","97.811","0.005","90","","2768.6","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","Bis(3N-triazolyl)copper(I) tetrafluoroborate","","- C30 H26 B Cu F4 N6 -","- C30 H26 B Cu F4 N6 -","- C120 H104 B4 Cu4 F16 N24 -","4","0.5","","Qiu, Ran; Luo, Hai","Copper(i)‒triazole dimer formation and rate acceleration in in-source click reaction","RSC Advances","2015","5","116","96213","","10.1039/C5RA19855K","","x-ray","0.7107","MoKα","","0.0717","0.0561","","","0.1369","0.1482","","","","","","1.037","","","","has coordinates","233836","2020-10-21","18:00:00",""
"7236018","14.4111","0.0013","7.9952","0.0007","17.4713","0.0014","90","","111.02","0.004","90","","1879.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Sharma, Shivangi; Naganaboina, Ram Tilak; Peddinti, Rama Krishna","Expedient synthesis of nitrovinyl substituted bicyclo[2.2.2]octenone scaffolds","RSC Advances","2015","5","121","100060","","10.1039/C5RA20016D","","","0.71073","MoKα","","0.0487","0.0366","","","0.1147","0.1351","","","","","","1.049","","","","has coordinates","233838","2020-10-21","18:00:00",""
"7236019","12.163","0.003","13.716","0.003","18.215","0.004","105.644","0.002","94.048","0.002","115.759","0.002","2572.9","1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C46.5 H41 Cl7 F6 N7 O6 P Ru -","- C46.5 H41 Cl7 F6 N7 O6 P Ru -","- C93 H82 Cl14 F12 N14 O12 P2 Ru2 -","2","1","","Shao, Jiang-Yang; Fu, Nianqing; Yang, Wen-Wen; Zhang, Chun-Yu; Zhong, Yu-Wu; Lin, Yuan; Yao, Jiannian","Cyclometalated ruthenium(ii) complexes with bis(benzimidazolyl)benzene for dye-sensitized solar cells","RSC Advances","2015","5","109","90001","","10.1039/C5RA20294A","","","0.71073","MoKα","","0.0736","0.0688","","","0.1717","0.1754","","","","","","1.114","","","","has coordinates,has disorder","233840","2020-10-21","18:00:00",""
"7236020","9.085","0.0006","10.9979","0.0009","14.9786","0.0011","90","","120.245","0.005","90","","1292.88","0.18","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","alotsndipir","TsiPrAlMe2?THF","","- C25 H38 Al N O3 S -","- C25 H38 Al N O3 S -","- C50 H76 Al2 N2 O6 S2 -","2","1","","Tseng, Hsi-Ching; Chen, Fu-Shen; Chiang, Michael Y.; Lu, Wei-Yi; Chen, Yu-Hsieh; Lai, Yi-Chun; Chen, Hsuan-Ying","Optimizing ring-opening polymerization of ε-caprolactone by using aluminum complexes bearing amide as catalysts and their application in synthesizing poly-ε-caprolactone with special initiators and other polycycloesters","RSC Advances","2015","5","110","90682","","10.1039/C5RA21252A","","","0.71073","MoKα","","0.0893","0.0681","","","0.1406","0.1555","","","","","","1.027","","","","has coordinates,has disorder","233843","2020-10-21","18:00:00",""
"7236021","10.3364","0.0004","24.8372","0.0007","16.7958","0.0005","90","","98.284","0.003","90","","4266.9","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl4 F6 N2 P Sb -","- C40 H48 Cl4 F6 N2 P Sb -","- C160 H192 Cl16 F24 N8 P4 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.0721","0.0375","","","0.0742","0.0784","","","","","","0.84","","","","has coordinates,has disorder","233844","2020-10-21","18:00:00",""
"7236022","12.2715","0.0012","12.4401","0.0009","15.1691","0.001","80.778","0.006","71.653","0.008","70.246","0.008","2064.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cl6 F6 N2 P Sb -","- C34 H34 Cl6 F6 N2 P Sb -","- C68 H68 Cl12 F12 N4 P2 Sb2 -","2","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","1.54184","CuKα","","0.0698","0.0611","","","0.1489","0.1521","","","","","","0.973","","","","has coordinates,has disorder","233844","2020-10-21","18:00:00",""
"7236023","14.847","0.011","21.755","0.016","10.693","0.008","90","","90","","90","","3454","4","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H44 F N2 Sb -","- C38 H44 F N2 Sb -","- C152 H176 F4 N8 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.0577","0.0476","","","0.1028","0.1078","","","","","","1.075","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236024","15.136","0.002","10.038","0.002","15.178","0.003","90","","100.706","0.004","90","","2265.9","0.7","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H27 F N Sb -","- C25 H27 F N Sb -","- C100 H108 F4 N4 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.022","0.0215","","","0.0499","0.0501","","","","","","1.077","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236025","9.1371","0.0008","8.076","0.0007","24.949","0.002","90","","95.549","0.002","90","","1832.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 F N2 Sb -","- C18 H24 F N2 Sb -","- C72 H96 F4 N8 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.0698","0.063","","","0.1085","0.1115","","","","","","1.251","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236026","11.3139","0.0008","8.1198","0.0006","15.85","0.0012","90","","101.487","0.001","90","","1426.92","0.18","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 F N Sb -","- C15 H17 F N Sb -","- C60 H68 F4 N4 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I.; Silvestru, Cristian; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Hypervalent diorganoantimony(iii) fluorides via diorganoantimony(iii) cations ‒ a general method of synthesis","RSC Advances","2015","5","121","99832","","10.1039/C5RA21788A","","","0.71073","MoKα","","0.0302","0.0281","","","0.0633","0.0645","","","","","","1.146","","","","has coordinates","233844","2020-10-21","18:00:00",""
"7236028","9.8058","0.0002","15.44","0.0003","16.9339","0.0003","64.933","0.001","83.409","0.001","88.318","0.001","2306.46","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","2","","Reddy, M. Guruprasad; Lobo, Nitin P.; Varathan, E.; Easwaramoorthi, S.; Narasimhaswamy, T.","Intramolecular charge transfer interactions and molecular order of rod like mesogens","RSC Advances","2015","5","127","105066","","10.1039/C5RA22261C","","","0.71073","MoKα","","0.1539","0.051","","","0.1038","0.1445","","","","","","0.927","","","","has coordinates","233847","2020-10-21","18:00:00",""
"7236045","9.8401","0.0003","10.0517","0.0003","18.0642","0.0006","90.221","0.003","93.857","0.003","113.891","0.003","1628.99","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Ce N O8 -","- C38 H38 Ce N O8 -","- C76 H76 Ce2 N2 O16 -","2","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.037","0.0363","","","0.1021","0.1026","","","","","","1.107","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236046","9.8432","0.0003","10.0408","0.0003","18.0453","0.0007","90.135","0.003","93.963","0.003","113.872","0.003","1626.11","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H0.5 N O8 Pr -","- C38 H38 N O8 Pr -","- C76 H76 N2 O16 Pr2 -","2","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.1085","0.1042","","","0.2893","0.2919","","","","","","1.067","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236047","32.8077","0.0005","35.0306","0.0005","5.7321","0.00015","90","","90","","90","","6587.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H54 Eu2 O15 -","- C66 H60 Eu2 O16 -","- C264 H240 Eu8 O64 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.1724","0.1415","","","0.3691","0.3963","","","","","","1.093","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236048","32.8303","0.0007","34.9113","0.0008","5.8318","0.0002","90","","90","","90","","6684.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H58 O15 Tm2 -","- C66 H60 O15 Tm2 -","- C264 H240 O60 Tm8 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","0.71","MoKα","","0.1383","0.1147","","","0.3191","0.342","","","","","","1.14","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236049","32.7626","0.0014","34.95","0.002","5.7721","0.0004","90","","90","","90","","6609.4","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H27 O7.58 Yb -","- C33 H27 O7.5 Yb -","- C264 H216 O60 Yb8 -","8","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.159","0.1248","","","0.3352","0.3658","","","","","","1.182","","","","has coordinates,has disorder","233870","2020-10-21","18:00:00",""
"7236050","14.285","0.009","15.991","0.01","20.393","0.012","69.009","0.009","71.138","0.008","88.044","0.009","4098","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H82 N8 O9 -","- C94 H56 N8 O9 -","- C188 H112 N16 O18 -","2","1","","Li, Xing; Zhang, Jie; Zhao, Yayun; Zhao, Xiuhua; Li, Feng; Li, Taohai; Li, H. L.; Chen, Liang","Trace amount CuII (ppm) and mixture design of CuII/PdII catalyzed Suzuki cross-coupling reactions based on the cooperative interaction of metal with a conjugated pyridylspirobifluorene","Journal of Materials Chemistry A","2015","3","12","6265","","10.1039/C5TA00222B","","","0.71073","MoKα","","0.2907","0.1108","","","0.2902","0.3952","","","","","","0.941","","","","has coordinates","233873","2020-10-21","18:00:00",""
"7236051","12.285","0.005","31.023","0.005","22.686","0.005","90","0.005","94.158","0.005","90","0.005","8623","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H18 Na O24 Zn4 -","- C48 H18 Na O24 Zn4 -","- C192 H72 Na4 O96 Zn16 -","4","0.5","","Zhou, En-Long; Huang, Peng; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A stable luminescent anionic porous metal‒organic framework for moderate adsorption of CO2 and selective detection of nitro explosives","Journal of Materials Chemistry A","2015","3","14","7224","","10.1039/C5TA00231A","","","0.71069","MoKα","","0.0938","0.052","","","0.1197","0.1312","","","","","","0.865","","","","has coordinates,has disorder","233874","2020-10-21","18:00:00",""
"7236052","8.386","0.0013","17.199","0.0015","25.132","0.004","90","0.005","94.182","0.005","90","0.005","3615.2","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H28 N10 O6 Zn2 -","- C34 H28 N10 O6 Zn2 -","- C136 H112 N40 O24 Zn8 -","4","1","","Bao, Shao-Juan; Krishna, Rajamani; He, Ya-Bing; Qin, Jun-Sheng; Su, Zhong-Min; Li, Shun-Li; Xie, Wei; Du, Dong-Ying; He, Wen-Wen; Zhang, Shu-Ran; Lan, Ya-Qian","A stable metal‒organic framework with suitable pore sizes and rich uncoordinated nitrogen atoms on the internal surface of micropores for highly efficient CO2 capture","Journal of Materials Chemistry A","2015","3","14","7361","","10.1039/C5TA00256G","","","0.71069","MoKα","","0.0682","0.0473","","","0.1119","0.1218","","","","","","1.013","","","","has coordinates","233876","2020-10-21","18:00:00",""
"7236053","29.1107","0.0014","10.0415","0.0005","31.3043","0.0014","90","","105.366","0.001","90","","8823.6","0.7","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H81 F24 N11 O0 P4 Pb2 S4 -","- C66 H81 F24 N11 P4 Pb2 S4 -","- C264 H324 F96 N44 P16 Pb8 S16 -","4","0.5","","Wang, Fan; Li, Fu-Ling; Xu, Miao-Miao; Yu, Hong; Zhang, Jian-Guo; Xia, Hai-Tao; Lang, Jian-Ping","Facile synthesis of a Ag(i)-doped coordination polymer with enhanced catalytic performance in the photodegradation of azo dyes in water","Journal of Materials Chemistry A","2015","3","11","5908","","10.1039/C5TA00302D","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","233878","2020-10-21","18:00:00",""
"7236054","30.271","0.0004","30.271","0.0004","8.2855","0.0003","90","","90","","90","","7592.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H8 N O5 Tb -","- C13 H8 N O5 Tb -","- C208 H128 N16 O80 Tb16 -","16","1","","Qin, Jianhua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Aqueous- and vapor-phase detection of nitroaromatic explosives by a water-stable fluorescent microporous MOF directed by an ionic liquid","Journal of Materials Chemistry A","2015","3","24","12690","","10.1039/C5TA00322A","","","0.71073","MoKα","","0.0338","0.0253","","","0.0593","0.0613","","","","","","1.079","","","","has coordinates","233880","2020-10-21","18:00:00",""
"7236055","22.5651","0.001","13.0672","0.0006","14.8064","0.0013","90","","101.227","0.006","90","","4282.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.67 H19.83 N2 O1.25 S7 Sn3 -","- C4.67 H19.84 N2 O1.25 S7 Sn3 -","- C37.36 H158.72 N16 O10 S56 Sn24 -","8","1","","Qi, Xing-Hui; Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Du, Cheng-Feng; Zhang, Bo; Huang, Xiao-Ying","A two-dimensionally microporous thiostannate with superior Cs+ and Sr2+ ion-exchange property","Journal of Materials Chemistry A","2015","3","10","5665","","10.1039/C5TA00566C","","","0.71073","MoKα","","0.0596","0.0509","","","0.1417","0.1507","","","","","","1.005","","","","has coordinates,has disorder","233881","2020-10-21","18:00:00",""
"7236056","22.363","0.005","13.0895","0.0016","14.432","0.003","90","","111.6","0.02","90","","3927.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs2 H9 O4.5 S7 Sn3 -","- Cs2 O4.5 S7 Sn3 -","- Cs16 O36 S56 Sn24 -","8","1","","Qi, Xing-Hui; Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Du, Cheng-Feng; Zhang, Bo; Huang, Xiao-Ying","A two-dimensionally microporous thiostannate with superior Cs+ and Sr2+ ion-exchange property","Journal of Materials Chemistry A","2015","3","10","5665","","10.1039/C5TA00566C","","","0.71073","MoKα","","0.1654","0.0922","","","0.1775","0.2071","","","","","","1.028","","","","has coordinates","233881","2020-10-21","18:00:00",""
"7236057","15.1173","0.0004","16.7483","0.0008","16.9101","0.0006","110.566","0.004","90.03","0.003","100.933","0.003","3925.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H25 N10 O20 Tb3 -","- C54 H25 N10 O20 Tb3 -","- C108 H50 N20 O40 Tb6 -","2","1","","Yang, Yan; Jiang, Feilong; Chen, Lian; Pang, Jiandong; Wu, Mingyan; Wan, Xiuyan; Pan, Jie; Qian, Jinjie; Hong, Maochun","An unusual bifunctional Tb-MOF for highly sensitive sensing of Ba2+ ions and with remarkable selectivities for CO2‒N2 and CO2‒CH4","Journal of Materials Chemistry A","2015","3","25","13526","","10.1039/C5TA00720H","","","1.54184","CuKα","","0.0922","0.0813","","","0.2268","0.2389","","","","","","1.01","","","","has coordinates","233883","2020-10-21","18:00:00",""
"7236058","14.8967","0.0002","14.8967","0.0002","10.0502","0.0003","90","","90","","90","","2230.26","0.08","173","2","173","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C32 H18 Co2 N3 Na O12 -","- C32 H18 Co2 N3 Na O12 -","- C64 H36 Co4 N6 Na2 O24 -","2","0.25","","Han, Yi; Sheng, Shunan; Yang, Fan; Xie, Yabo; Zhao, Minjian; Li, Jian-Rong","Size-exclusive and coordination-induced selective dye adsorption in a nanotubular metal‒organic framework","Journal of Materials Chemistry A","2015","3","24","12804","","10.1039/C5TA00963D","","","1.54178","CuKα","","0.0814","0.0632","","","0.1874","0.1986","","","","","","1.06","","","","has coordinates","233885","2020-10-21","18:00:00",""
"7236059","20.305","0.005","10.022","0.003","17.22","0.005","90","","90","","90","","3504.2","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H6 In N0 O8 -","- C16 H6 In O8 -","- C64 H24 In4 O32 -","4","0.5","","Liu, Lin; Zhang, Xiao-Nan; Han, Zheng-Bo; Gao, Ming-Liang; Cao, Xiao-Man; Wang, Shi-Ming","An InIII-based anionic metal‒organic framework: sensitization of lanthanide (III) ions and selective absorption and separation of cationic dyes","Journal of Materials Chemistry A","2015","3","27","14157","","10.1039/C5TA00986C","","","0.71073","MoKα","","0.0934","0.0701","","","0.1785","0.1876","","","","","","0.976","","","","has coordinates","233887","2020-10-21","18:00:00",""
"7236060","8.3768","0.0006","9.7336","0.0008","11.0989","0.0009","75.782","0.004","88.91","0.004","79.489","0.004","862.21","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H62 F2 O4 P2 -","- C32 H62 F2 O4 P2 -","- C32 H62 F2 O4 P2 -","1","0.5","","Huang, Jinhua; Azimi, Nasim; Cheng, Lei; Shkrob, Ilya A.; Xue, Zheng; Zhang, Junjie; Dietz Rago, Nancy L.; Curtiss, Larry A.; Amine, Khalil; Zhang, Zhengcheng; Zhang, Lu","An organophosphine oxide redox shuttle additive that delivers long-term overcharge protection for 4 V lithium-ion batteries","Journal of Materials Chemistry A","2015","3","20","10710","","10.1039/C5TA01326G","","","0.71073","MoKα","","0.1119","0.085","","","0.2632","0.2964","","","","","","1.057","","","","has coordinates","233889","2020-10-21","18:00:00",""
"7236061","6.2275","0.0011","7.017","0.0012","7.951","0.0013","75.693","0.002","69.567","0.002","64.206","0.002","291.27","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,6,7-triamine","","- C3 H6 N8 -","- C3 H6 N8 -","- C6 H12 N16 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.0422","0.0386","","","0.1003","0.1038","","","","","","1.042","","","","has coordinates","233891","2020-10-21","18:00:00",""
"7236062","6.311","0.002","8.265","0.003","13.717","0.005","73.487","0.005","80.058","0.004","79.551","0.005","669","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2-ium 3,4,5-trinitropyrazol-1-ide","","- C6 H7 N13 O6 -","- C6 H7 N13 O6 -","- C12 H14 N26 O12 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.1439","0.0611","","","0.1188","0.1472","","","","","","0.962","","","","has coordinates","233891","2020-10-21","18:00:00",""
"7236063","6.33","0.004","6.711","0.004","9.034","0.006","95.533","0.008","90.022","0.007","90.076","0.008","382","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","YP-034","","","- C3 H6.78 Br0.78 N8 -","- C3 H6.7833 Br0.7833 N8 -","- C6 H13.5666 Br1.5666 N16 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.0211","0.0205","","","0.0557","0.0561","","","","","","1.136","","","","has coordinates","233891","2020-10-21","18:00:00",""
"7236064","3.9086","0.0013","7.562","0.003","14.93","0.005","95.806","0.005","91.521","0.005","101.793","0.005","429.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H8 N8 O6 -","- C2 H8 N8 O6 -","- C4 H16 N16 O12 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0436","0.0325","","","0.0821","0.0878","","","","","","1","","","","has coordinates","233892","2020-10-21","18:00:00",""
"7236065","9.2802","0.0015","9.412","0.0011","9.6659","0.0014","61.762","0.009","77.352","0.013","64.011","0.009","668.51","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H4 N6 O4 -","- C2 H4 N6 O4 -","- C8 H16 N24 O16 -","4","2","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0434","0.0337","","","0.085","0.0894","","","","","","1","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236066","7.304","0.002","6.3952","0.0018","18.719","0.005","90","","90.354","0.004","90","","874.4","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O4 -","- C3 H7 N9 O4 -","- C12 H28 N36 O16 -","4","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0405","0.0356","","","0.0814","0.0847","","","","","","1.001","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236067","6.553","0.002","8.471","0.003","9.078","0.003","93.386","0.005","91.224","0.007","98.007","0.005","497.9","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O4 -","- C3 H8 N10 O4 -","- C6 H16 N20 O8 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0463","0.0364","","","0.087","0.0925","","","","","","1.001","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236068","3.5714","0.001","9.496","0.003","12.886","0.004","90","","90.883","0.004","90","","437","0.2","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C3 H6 N10 O2 -","- C3 H6 N10 O2 -","- C6 H12 N20 O4 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0286","0.0268","","","0.0548","0.0557","","","","","","1.001","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236069","7.9369","0.0018","9.884","0.002","8.6066","0.0019","90","","91.979","0.004","90","","674.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N7 O4 -","- C2 H5 N7 O4 -","- C8 H20 N28 O16 -","4","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = ‒CH3, ‒NH2, ‒N3, ‒NO2 and ‒NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0373","0.0307","","","0.0667","0.0702","","","","","","0.999","","","","has coordinates","233894","2020-10-21","18:00:00",""
"7236070","18.1351","0.0016","6.6817","0.0006","9.0685","0.0008","90","","94.199","0.007","90","","1095.91","0.17","340","2","340","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H14 F3 N O2 -","- C8 H14 F3 N O2 -","- C32 H56 F12 N4 O8 -","4","0.5","","Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)","Journal of Materials Chemistry A","2015","3","24","12616","","10.1039/C5TA02166A","","","0.71073","MoKα","","0.1383","0.1154","","","0.3411","0.3855","","","","","","1.418","","","","has coordinates","233896","2020-10-21","18:00:00",""
"7236071","17.264","0.003","6.5684","0.0002","17.7966","0.0019","90","","91.4","0.02","90","","2017.5","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 F3 N O2 -","- C8 H14 F3 N O2 -","- C64 H112 F24 N8 O16 -","8","1","","Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)","Journal of Materials Chemistry A","2015","3","24","12616","","10.1039/C5TA02166A","","","0.71073","MoKα","","0.033","0.0301","","","0.0804","0.0833","","","","","","1.041","","","","has coordinates","233896","2020-10-21","18:00:00",""
"7236072","19.807","0.0005","15.358","0.0003","23.9322","0.0006","90","","116.709","0.003","90","","6503.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 Cd N3 O6 Ru0.5 -","- C18 H9 Cd N3 O6 Ru0.5 -","- C144 H72 Cd8 N24 O48 Ru4 -","8","1","","Zhang, Shuquan; Li, Lina; Zhao, Sangen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Hierarchical metal‒organic framework nanoflowers for effective CO2transformation driven by visible light","Journal of Materials Chemistry A","2015","3","30","15764","","10.1039/C5TA03322E","","","1.54184","CuKα","","0.0337","0.0299","","","0.0829","0.085","","","","","","1.06","","","","has coordinates","233898","2020-10-21","18:00:00",""
"7236073","24.2929","0.0004","24.2929","0.0004","24.2929","0.0004","90","","90","","90","","14336.3","0.4","180","2","180","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","LMOF-1","","","- C102 H57 O16 Zr3 -","- C102 H57 O16 Zr3 -","- C204 H114 O32 Zr6 -","2","0.0416667","","Zou, Ruyi; Ren, Xueling; Huang, Fang; Zhao, Yifang; Liu, Jia; Jing, Xiping; Liao, Fuhui; Wang, Yinxia; Lin, Jianhua; Zou, Ruqiang; Sun, Junliang","A luminescent Zr-based metal‒organic framework for sensing/capture of nitrobenzene and high-pressure separation of CH4/C2H6","Journal of Materials Chemistry A","2015","3","46","23493","","10.1039/C5TA03361F","","","0.71073","MoKα","","0.1198","0.0931","","","0.2533","0.2763","","","","","","1.016","","","","has coordinates,has disorder","233899","2020-10-21","18:00:00",""
"7236074","24.345","0.004","20.477","0.003","19.098","0.003","90","","90","","90","","9521","3","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C66 H88 N16 Ni2 O21 -","- C50 H32 N12 Ni2 O5 -","- C200 H128 N48 Ni8 O20 -","4","0.5","","Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe","A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities","Journal of Materials Chemistry A","2015","3","30","15399","","10.1039/C5TA03493K","","","0.71073","MoKα","","0.0307","0.0298","","","0.0828","0.0836","","","","","","1.062","","","","has coordinates,has disorder","233901","2020-10-21","18:00:00",""
"7236075","23.452","0.004","23.452","0.004","79.27","0.03","90","","90","","120","","37757","17","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C120 H72 O27 Zn8 -","- C120 H72 O27 Zn8 -","- C720 H432 O162 Zn48 -","6","0.333333","","He, Hongming; Song, Yang; Sun, Fuxing; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","A porous metal‒organic framework formed by a V-shaped ligand and Zn(ii) ion with highly selective sensing for nitroaromatic explosives","Journal of Materials Chemistry A","2015","3","32","16598","","10.1039/C5TA03537F","","","0.71073","MoKα","","0.0669","0.0384","","","0.0779","0.084","","","","","","0.86","","","","has coordinates","233903","2020-10-21","18:00:00",""
"7236076","9.0362","0.0015","17.484","0.003","24.772","0.004","69.717","0.003","84.873","0.003","82.904","0.003","3638.3","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H57 Ba2 N O25 -","- C73 H57 Ba2 N O25 -","- C146 H114 Ba4 N2 O50 -","2","1","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","0.71073","MoKα","","0.1012","0.0834","","","0.2099","0.2193","","","","","","1.05","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236077","32.24","0.05","12.209","0.019","8.885","0.013","90","","97.56","0.03","90","","3467","9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Ba N0 O13 -","- C34 H26 Ba O13 -","- C136 H104 Ba4 O52 -","4","0.5","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","0.71073","MoKα","","0.1383","0.0849","","","0.2241","0.2995","","","","","","1.013","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236078","32.2746","0.0007","12.6358","0.0006","8.9507","0.0002","90","","98.533","0.002","90","","3609.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Ba O12 -","- C34 H24 Ba O12 -","- C136 H96 Ba4 O48 -","4","0.5","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","1.54184","CuKα","","0.0718","0.0604","","","0.1625","0.1801","","","","","","1.046","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236079","21.179","0.004","22.56","0.005","23.138","0.005","105.3","0.03","114.19","0.03","102.88","0.03","9012","6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","TMU-18","","- C83 H63 N13 O21 Zn4 -","- C83 H63 N13 O21 Zn4 -","- C166 H126 N26 O42 Zn8 -","2","1","","Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.","Urea-containing metal-organic frameworks as heterogeneous organocatalysts","Journal of Materials Chemistry A","2015","3","40","20408","","10.1039/C5TA03835A","","","0.71073","MoKα","","0.113","0.0688","","","0.1817","0.1952","","","","","","0.897","","","","has coordinates,has disorder","233907","2020-10-21","18:00:00",""
"7236080","21.035","0.004","16.064","0.003","29.891","0.006","90","","90","","90","","10100","3","100","2","100.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","TMU-19","","- C21 H16 N3 O5 Zn -","- C21 H16 N3 O5 Zn -","- C168 H128 N24 O40 Zn8 -","8","1","","Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.","Urea-containing metal-organic frameworks as heterogeneous organocatalysts","Journal of Materials Chemistry A","2015","3","40","20408","","10.1039/C5TA03835A","","","0.71073","MoKα","","0.0903","0.0786","","","0.2428","0.2532","","","","","","1.103","","","","has coordinates,has disorder","233907","2020-10-21","18:00:00",""
"7236081","16.709","0.003","15.867","0.003","8.0026","0.0016","90","","113.96","0.03","90","","1938.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H14.5 Cd N1.5 O4.5 -","- C19 H11 Cd N O4 -","- C76 H44 Cd4 N4 O16 -","4","0.5","","Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation","Journal of Materials Chemistry A","2015","3","32","16627","","10.1039/C5TA03886C","","","0.71073","MoKα","","0.0315","0.0253","","","0.0627","0.0641","","","","","","1.053","","","","has coordinates","233908","2020-10-21","18:00:00",""
"7236082","19.627","0.003","19.627","0.003","45.856","0.009","90","","90","","120","","15298","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C69 H67 In3 N8 O23 -","- C57 H33 In3 N3 O13 -","- C342 H198 In18 N18 O78 -","6","0.166667","","Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation","Journal of Materials Chemistry A","2015","3","32","16627","","10.1039/C5TA03886C","","","0.71073","MoKα","","0.0248","0.0237","","","0.0694","0.07","","","","","","1.118","","","","has coordinates","233908","2020-10-21","18:00:00",""
"7236083","15.785","0.002","18.275","0.003","28.066","0.004","104.478","0.003","92.048","0.003","107.86","0.003","7405.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.33 N3 Nd1.67 O28 -","- C97 H81 Cd1.327 N3 Nd1.673 O28 -","- C194 H162 Cd2.654 N6 Nd3.346 O56 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.127","0.0908","","","0.2509","0.3125","","","","","","1.134","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236084","15.89","0.005","18.596","0.006","28.5","0.01","101.979","0.006","94.414","0.006","108.931","0.005","7697","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.43 N3 O27 Pr1.57 -","- C97 H81 Cd1.427 N3 O27 Pr1.573 -","- C194 H162 Cd2.854 N6 O54 Pr3.146 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1615","0.1031","","","0.2673","0.3111","","","","","","0.922","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236085","15.813","0.004","18.213","0.004","27.961","0.006","104.736","0.004","91.538","0.004","107.955","0.004","7360","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C104 H104 Cd1.72 N6 O29 Sm1.28 -","- C104 H104 Cd1.717 N6 O29 Sm1.283 -","- C208 H208 Cd3.434 N12 O58 Sm2.566 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1509","0.0868","","","0.2151","0.2537","","","","","","1.025","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236086","15.779","0.008","18.369","0.009","28.064","0.014","103.419","0.009","91.978","0.007","108.705","0.008","7442","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 O26 Tb3 -","- C88 H60 O26 Tb3 -","- C176 H120 O52 Tb6 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.4978","0.2214","","","0.4239","0.5231","","","","","","1.35","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236087","15.116","0.005","15.393","0.005","18.225","0.006","105.732","0.006","106.553","0.006","104.405","0.007","3660","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.04 O12 Zn1.46 -","- C44 H30 Cd0.042 O12 Zn1.458 -","- C88 H60 Cd0.084 O24 Zn2.916 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.204","0.0987","","","0.2304","0.2641","","","","","","0.826","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236088","15.631","0.005","18.456","0.006","27.517","0.01","80.164","0.007","89.994","0.007","76.264","0.006","7591","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Ca1.75 Cd2.25 O29 -","- C88 H60 Ca1.7515 Cd2.2485 O29 -","- C176 H120 Ca3.503 Cd4.497 O58 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2152","0.104","","","0.2427","0.2816","","","","","","0.78","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236089","15.462","0.005","16.063","0.005","18.103","0.005","107.12","0.005","102.556","0.005","111.229","0.005","3731","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2386","0.1328","","","0.3375","0.3781","","","","","","0.912","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236090","15.277","0.002","16.131","0.002","17.297","0.003","67.016","0.003","81.847","0.003","62.703","0.002","3483.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1198","0.0724","","","0.1936","0.2286","","","","","","0.934","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236091","16.1904","0.0018","18.127","0.002","27.495","0.003","75.967","0.002","88.446","0.002","72.71","0.002","7466","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C176 H120 Cd6 O48 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.169","0.1024","","","0.2452","0.2718","","","","","","1.046","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236092","15.4562","0.0018","16.278","0.002","18.346","0.002","108.559","0.002","103.799","0.002","108.453","0.002","3844","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C112 H116 Cd4 N8 O34 -","- C112 H116 Cd4 N8 O34 -","- C112 H116 Cd4 N8 O34 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1407","0.1026","","","0.2769","0.3398","","","","","","1.134","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236093","15.6469","0.0017","18.471","0.002","27.45","0.003","99.525","0.002","90.063","0.002","103.876","0.002","7588.8","1.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H82 Cd4 N3 O30 -","- C97 H82 Cd4 N3 O30 -","- C194 H164 Cd8 N6 O60 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1528","0.0903","","","0.2242","0.273","","","","","","0.949","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236094","15.468","0.005","15.785","0.005","18.038","0.006","107.27","0.006","103.949","0.006","107.163","0.005","3749","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.29 Co1.21 O12 -","- C44 H30 Cd0.294 Co1.206 O12 -","- C88 H60 Cd0.588 Co2.412 O24 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1766","0.0864","","","0.2012","0.2323","","","","","","0.74","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236095","15.508","0.003","16.241","0.003","18.383","0.004","108.709","0.004","104.279","0.004","107.16","0.004","3880.8","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C94 H74 Cd0.69 Cu3.31 N2 O30 -","- C94 H74 Cd0.688 Cu3.312 N2 O30 -","- C94 H74 Cd0.688 Cu3.312 N2 O30 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1684","0.1325","","","0.339","0.391","","","","","","1.244","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236096","15.97","0.002","18.597","0.003","28.434","0.004","100.536","0.002","95.13","0.002","109.615","0.002","7716.2","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.68 Eu1.32 N3 O27 -","- C97 H81 Cd1.678 Eu1.322 N3 O27 -","- C194 H162 Cd3.356 Eu2.644 N6 O54 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.0974","0.0822","","","0.2001","0.2081","","","","","","1.082","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236097","15.744","0.003","18.343","0.003","28.121","0.005","104.422","0.003","92.252","0.003","108.122","0.003","7415","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C91 H67 Cd1.46 La1.54 N O26 -","- C91 H67 Cd1.455 La1.545 N O26 -","- C182 H134 Cd2.91 La3.09 N2 O52 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1185","0.0753","","","0.188","0.2261","","","","","","1.016","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236098","15.957","0.004","16.46","0.004","17.3","0.005","106.07","0.006","100.85","0.005","113.408","0.005","3770.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.87 Mn0.63 O12 -","- C44 H30 Cd0.871 Mn0.629 O12 -","- C88 H60 Cd1.742 Mn1.258 O24 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2675","0.1472","","","0.3403","0.401","","","","","","1.131","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236099","8.517","0.0004","10.3341","0.0004","18.2392","0.0007","104.782","0.004","91.187","0.003","110.479","0.004","1443.35","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O13 Zn2 -","- C29 H24 N2 O13 Zn2 -","- C58 H48 N4 O26 Zn4 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Liu, Cai-Ping; Zhou, Kang; Chen, Lian; Gai, Yan-Li; Yang, Yan; Hong, Mao-Chun","Rapid and discriminative detection of nitro aromatic compounds with high sensitivity using two zinc MOFs synthesized through a temperature-modulated method","Journal of Materials Chemistry A","2015","3","44","22369","","10.1039/C5TA04552E","","","1.54184","CuKα","","0.0412","0.0368","","","0.0939","0.0966","","","","","","1.047","","","","has coordinates","233913","2020-10-21","18:00:00",""
"7236100","7.8732","0.0004","9.6571","0.0004","12.1461","0.0006","76.894","0.004","89.325","0.004","77.575","0.004","877.71","0.07","173","2","173.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O20 Zn4 -","- C30 H22 N2 O20 Zn4 -","- C30 H22 N2 O20 Zn4 -","1","0.5","","Wan, Xiu-Yan; Jiang, Fei-Long; Liu, Cai-Ping; Zhou, Kang; Chen, Lian; Gai, Yan-Li; Yang, Yan; Hong, Mao-Chun","Rapid and discriminative detection of nitro aromatic compounds with high sensitivity using two zinc MOFs synthesized through a temperature-modulated method","Journal of Materials Chemistry A","2015","3","44","22369","","10.1039/C5TA04552E","","","1.54184","CuKα","","0.0328","0.027","","","0.0746","0.0785","","","","","","1.028","","","","has coordinates","233913","2020-10-21","18:00:00",""
"7236101","18.04","0.002","18.04","0.002","18.04","0.002","90","","90","","90","","5871","1.1","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C12 H0 Cu16 N8 O0 S24 Sn6 -","- C12 Cu16 N8 S24 Sn6 -","- C48 Cu64 N32 S96 Sn24 -","4","0.0416667","","Nie, Lina; Zhang, Yu; Ye, Kaiqi; Han, Jianyu; Wang, Yue; Rakesh, Ganguly; Li, Yongxin; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A crystalline Cu‒Sn‒S framework for high-performance lithium storage","Journal of Materials Chemistry A","2015","3","38","19410","","10.1039/C5TA04699H","","","0.71073","MoKα","","0.0525","0.0374","","","0.1058","0.1157","","","","","","1.118","","","","has coordinates","233915","2020-10-21","18:00:00",""
"7236102","26.7264","0.0013","26.7264","0.0013","26.7264","0.0013","90","","90","","90","","19090.7","1.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C240 H288 N36 O90 Tb6 -","- C231 H96 N39 O67 Tb6 -","- C462 H192 N78 O134 Tb12 -","2","0.0416667","","Han, Yun-Hu; Tian, Chong-Bin; Lin, Ping; Du, Shao-Wu","An unprecedented anionic Ln-MOF with a cage-within-cage motif: spontaneous reduction and immobilization of ion-exchanged Pd(ii) to Pd-NPs in the framework","Journal of Materials Chemistry A","2015","3","48","24525","","10.1039/C5TA04937G","","","0.71073","MoKα","","0.0715","0.0628","","","0.1466","0.1521","","","","","","1.196","","","","has coordinates,has disorder","233917","2020-10-21","18:00:00",""
"7236103","11.6692","0.0004","12.2365","0.0004","13.6586","0.0006","65.229","0.004","67.518","0.004","88.435","0.003","1615.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H24 Eu3 O26 -","- C48 H24 Eu3 O26 -","- C48 H24 Eu3 O26 -","1","0.5","","Meng, Qingguo; Xin, Xuelian; Zhang, Liangliang; Dai, Fangna; Wang, Rongming; Sun, Daofeng","A multifunctional Eu MOF as a fluorescent pH sensor and exhibiting highly solvent-dependent adsorption and degradation of rhodamine B","Journal of Materials Chemistry A","2015","3","47","24016","","10.1039/C5TA04989J","","","0.71073","MoKα","","0.0409","0.0321","","","0.0819","0.0865","","","","","","1.071","","","","has coordinates","233919","2020-10-21","18:00:00",""
"7236104","19.2106","0.0011","13.5093","0.0007","18.6918","0.0016","90","","116.602","0.002","90","","4337.4","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N4 O6 -","- C19 H17 Co N4 O6 -","- C152 H136 Co8 N32 O48 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.1774","0.1249","","","0.302","0.3408","","","","","","1.921","","","","has coordinates,has disorder","233921","2020-10-21","18:00:00",""
"7236105","38.226","0.007","13.456","0.002","33.945","0.007","90","","110.132","0.011","90","","16393","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Co2 N8 O14 -","- C68 H59 Co2 N8 O14 -","- C544 H472 Co16 N64 O112 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.183","0.0803","","","0.1887","0.2274","","","","","","0.893","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236106","10.4589","0.0014","13.3445","0.0017","18.115","0.002","90","","90.25","","90","","2528.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Co N4 O7 -","- C25 H26 Co N4 O7 -","- C100 H104 Co4 N16 O28 -","4","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.0487","0.0406","","","0.1201","0.1241","","","","","","1.056","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236107","19.2342","0.0013","13.4738","0.001","18.5923","0.0013","90","","116.139","0.002","90","","4325.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N4 O4 -","- C19 H20 Co N4 O4 -","- C152 H160 Co8 N32 O32 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.2186","0.124","","","0.2969","0.3184","","","","","","1.675","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236108","5.2626","0.0015","8.591","0.002","20.393","0.006","90","","90","","90","","922","0.4","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H2 N8 O6 -","- C5 H2 N8 O6 -","- C20 H8 N32 O24 -","4","1","","Schulze, M. C.; Scott, B. L.; Chavez, D. E.","A high density pyrazolo-triazine explosive (PTX)","Journal of Materials Chemistry A","2015","3","35","17963","","10.1039/C5TA05291B","","","0.71073","MoKα","","0.0473","0.0361","","","0.0891","0.0943","","","","","","1.156","","","","has coordinates","233922","2020-10-21","18:00:00",""
"7236109","18.5943","0.0003","18.5943","0.0003","38.7113","0.0006","90","","90","","120","","11591.2","0.3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H11 Cu2 N O10 -","- C25 H11 Cu2 N O10 -","- C225 H99 Cu18 N9 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.0969","0.0889","","","0.259","0.2763","","","","","","1.239","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236110","18.6463","0.0004","18.6463","0.0004","38.5563","0.0011","90","","90","","120","","11609.4","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H11 Cu2 N O10 -","- C25 H11 Cu2 N O10 -","- C225 H99 Cu18 N9 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.1032","0.0944","","","0.2761","0.2937","","","","","","1.299","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236111","18.5565","0.0004","18.5565","0.0004","38.6189","0.0008","90","","90","","120","","11516.6","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H16 Cu2 N2 O11 -","- C24 H10 Cu2 N2 O10 -","- C216 H90 Cu18 N18 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.0621","0.0578","","","0.1788","0.1864","","","","","","1.059","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236112","14.3649","0.0009","15.5751","0.001","16.3871","0.0012","72.966","0.007","73.45","0.006","68.665","0.006","3199.2","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C121 H110 N7 O28 Rh4 -","- C121 H110 N7 O28 Rh4 -","- C121 H110 N7 O28 Rh4 -","1","0.5","","Chen, Lianfen; Yang, Tao; Cui, Hao; Cai, Tao; Zhang, Li; Su, Cheng-Yong","A porous metal‒organic cage constructed from dirhodium paddle-wheels: synthesis, structure and catalysis","Journal of Materials Chemistry A","2015","3","40","20201","","10.1039/C5TA05592J","","","1.54178","CuKα","","0.0905","0.0591","","","0.1697","0.1986","","","","","","1.036","","","","has coordinates","233927","2020-10-21","18:00:00",""
"7236113","7.0958","0.0002","8.6167","0.0002","11.0839","0.0003","90","","102.365","0.001","90","","661.98","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C16 H16 N24 O8 -","4","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0335","0.0305","","","0.0858","0.0887","","","","","","1.065","","","","has coordinates","233928","2020-10-21","18:00:00",""
"7236114","6.5964","0.0003","7.4775","0.0003","17.4904","0.0007","90","","97.043","0.002","90","","856.2","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C16 H20 N28 O20 -","4","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0691","0.0363","","","0.081","0.0943","","","","","","1.008","","","","has coordinates","233930","2020-10-21","18:00:00",""
"7236115","26.968","0.002","4.0185","0.0003","18.7676","0.0014","90","","99.579","0.005","90","","2005.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C32 H64 N64 O48 -","8","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0969","0.0455","","","0.1107","0.1598","","","","","","1.081","","","","has coordinates","233931","2020-10-21","18:00:00",""
"7236116","8.4484","0.0006","13.6023","0.0009","15.2391","0.001","90","","97.453","0.003","90","","1736.4","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(3,5-difluorophenoxy) silicon phthalocyanine","","- C44 H22 F4 N8 O2 Si -","- C44 H22 F4 N8 O2 Si -","- C88 H44 F8 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0335","0.0301","","","0.0767","0.0792","","","","","","1.034","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236117","9.6397","0.0013","19.771","0.003","10.0445","0.001","90","","118.661","0.008","90","","1679.8","0.4","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,4,6-trifluorophenoxy) silicon phthalocyanine","","- C44 H20 F6 N8 O2 Si -","- C44 H20 F6 N8 O2 Si -","- C88 H40 F12 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0991","0.0657","","","0.1583","0.1755","","","","","","1.054","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236118","10.2098","0.0006","17.6974","0.0013","10.7963","0.0007","90","","117.669","0.003","90","","1727.7","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3,4,5-trifluorophenoxy) silicon phthalocyanine","","- C44 H20 F6 N8 O2 Si -","- C44 H20 F6 N8 O2 Si -","- C88 H40 F12 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0372","0.0321","","","0.0819","0.085","","","","","","1.041","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236119","8.4175","0.0008","10.1685","0.0009","11.5194","0.001","72.562","0.003","69.559","0.003","81.366","0.003","880.3","0.14","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","bis(2,3,4,6-tetrafluorophenoxy) silicon phthalocyanine","","- C44 H18 F8 N8 O2 Si -","- C44 H18 F8 N8 O2 Si -","- C44 H18 F8 N8 O2 Si -","1","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0317","0.0311","","","0.0819","0.0825","","","","","","1.061","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236120","27.768","0.0011","7.9","0.0006","18.298","0.0014","90","","108.329","0.0015","90","","3810.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl0 N5 O11 Zn2 -","- C20 H22 N5 O11 Zn2 -","- C80 H88 N20 O44 Zn8 -","4","0.5","","Zhang, Shu-Ran; Li, Jing; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Su, Zhong-Min; Lan, Ya-Qian","A multifunctional microporous anionic metal‒organic framework for column-chromatographic dye separation and selective detection and adsorption of Cr3+","Journal of Materials Chemistry A","2015","3","46","23426","","10.1039/C5TA07427D","","","0.71069","MoKα","","0.0596","0.0479","","","0.1387","0.1464","","","","","","0.834","","","","has coordinates","233934","2020-10-21","18:00:00",""
"7236145","15.4537","0.0014","9.1572","0.0008","43.467","0.004","90","","92.602","0.004","90","","6144.8","1","173.15","","173.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H37 Cl N3 O5 -","- C32 H37 Cl N3 O5 -","- C256 H296 Cl8 N24 O40 -","8","1","","Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice","Journal of Materials Chemistry B","2015","3","32","6634","","10.1039/C5TB00676G","","","0.71073","MoKα","","0.1662","0.0937","","","0.2513","0.2803","","","","","","1.04","","","","has coordinates,has disorder","233962","2020-10-21","18:00:00",""
"7236146","10.9","0.011","11.786","0.012","24.64","0.03","102.078","0.012","90.025","0.013","113.655","0.012","2823","5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H82 Cl2 N6 O17 -","- C50 H82 Cl2 N6 O17 -","- C100 H164 Cl4 N12 O34 -","2","1","","Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice","Journal of Materials Chemistry B","2015","3","32","6634","","10.1039/C5TB00676G","","","0.71073","MoKα","","0.1915","0.0741","","","0.1572","0.1891","","","","","","0.924","","","","has coordinates,has disorder","233962","2020-10-21","18:00:00",""
"7236147","19.7987","0.0004","10.3272","0.0003","27.5213","0.0004","90","","95.515","0.001","90","","5601.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N4 O4 Sn -","- C26 H36 N4 O4 Sn -","- C208 H288 N32 O32 Sn8 -","8","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0892","0.055","","","0.1315","0.1511","","","","","","1.019","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236148","8.6061","0.0002","11.9693","0.0002","12.7463","0.0002","105.872","0.001","91.998","0.001","95.725","0.001","1253.97","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 N3 O5 Sn -","- C27 H21 N3 O5 Sn -","- C54 H42 N6 O10 Sn2 -","2","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0469","0.0365","","","0.0972","0.1035","","","","","","1.225","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236149","9.845","0.0012","8.6454","0.001","28.744","0.003","90","","93.078","0.001","90","","2443","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O2 Sn -","- C30 H22 N2 O2 Sn -","- C120 H88 N8 O8 Sn4 -","4","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.031","0.0287","","","0.073","0.0748","","","","","","1.065","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236150","11.1871","0.0013","15.2135","0.0018","17.015","0.002","109.408","0.001","98.162","0.001","110.771","0.001","2440.4","0.5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O4 Sn -","- C26 H29 N3 O4 Sn -","- C104 H116 N12 O16 Sn4 -","4","2","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.052","0.0407","","","0.0976","0.1046","","","","","","1.039","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236151","9.9567","0.0018","10.633","0.002","12.581","0.002","111.606","0.002","93.531","0.002","93.129","0.002","1231.7","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N3 O4 Sn -","- C30 H21 N3 O4 Sn -","- C60 H42 N6 O8 Sn2 -","2","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0566","0.0457","","","0.1025","0.1085","","","","","","1.013","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236152","19.299","0.005","16.646","0.005","16.423","0.005","90","0.005","103.904","0.005","90","0.005","5121","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 F12 N6 P2 S2 Zn -","- C50 H46 F12 N6 P2 S2 Zn -","- C200 H184 F48 N24 P8 S8 Zn4 -","4","1","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71069","MoKα","","0.2039","0.0705","","","0.1601","0.2274","","","","","","0.961","","","","has coordinates","233967","2020-10-21","18:00:00",""
"7236153","14.035","0.004","14.277","0.004","15.099","0.005","63.305","0.003","79.986","0.004","84.168","0.004","2660.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 S Zn -","- C25 H23 I2 N3 S Zn -","- C100 H92 I8 N12 S4 Zn4 -","4","2","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.1709","0.0654","","","0.1399","0.1751","","","","","","0.98","","","","has coordinates","233967","2020-10-21","18:00:00",""
"7236154","38.02","0.017","12.719","0.006","11.416","0.005","90","","96.376","0.007","90","","5486","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N3 S -","- C33 H29 N3 S -","- C264 H232 N24 S8 -","8","2","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.2785","0.0791","","","0.0624","0.085","","","","","","0.966","","","","has coordinates,has disorder","233967","2020-10-21","18:00:00",""
"7236155","8.2244","0.0016","10.228","0.002","14.193","0.003","70.91","0.03","81.49","0.03","72.81","0.03","1076.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 S -","- C25 H23 N3 S -","- C50 H46 N6 S2 -","2","1","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.0634","0.045","","","0.1471","0.1687","","","","","","1.003","","","","has coordinates","233967","2020-10-21","18:00:00",""
"7236156","39.898","0.004","10.028","0.0008","22.1207","0.0014","90","","107.029","0.007","90","","8462.4","1.3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ru-Uracil","Ru-Uracil","","- C37 H33 F12 N9 O4 P2 Ru -","- C37 H33 F12 N9 O4 P2 Ru -","- C296 H264 F96 N72 O32 P16 Ru8 -","8","1","","Ramu, Vadde; Ali, Firoj; Taye, Nandaraj; Garai, Bikash; Alam, Aftab; Chattopadhyay, Samit; Das, Amitava","New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells","Journal of Materials Chemistry B","2015","3","36","7177","","10.1039/C5TB01309G","","","0.71073","MoKα","","0.1609","0.0812","","","0.1504","0.1662","","","","","","1.606","","","","has coordinates","233969","2020-10-21","18:00:00",""
"7702011","21.2184","0.0018","37.581","0.003","17.8803","0.0014","90","","90","","90","","14258","2","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","2c","","- C73 H74 Cl4 Fe N2 P2 Pt2 -","- C73 H74 Cl4 Fe N2 P2 Pt2 -","- C584 H592 Cl32 Fe8 N16 P16 Pt16 -","8","0.5","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.","Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1969","1981","10.1039/c4dt02375g","","","0.71073","MoKα","","0.0495","0.0303","","","0.0575","0.0618","","","","","","1.08","","","","has coordinates","232792","2020-10-21","18:00:00",""
"7702012","12.4432","0.0005","17.0241","0.0007","26.2651","0.0011","90","","96.904","0.001","90","","5523.5","0.4","105","2","105","2","","","101.3","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","2c","","","- C63 H66 Cl2 N2 P2 Pt2 -","- C63 H66 Cl2 N2 P2 Pt2 -","- C252 H264 Cl8 N8 P8 Pt8 -","4","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.","Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1969","1981","10.1039/c4dt02375g","","","0.71073","MoKα","","0.0481","0.032","","","0.0577","0.0628","","","","","","0.997","","","","has coordinates","232792","2020-10-21","18:00:00",""
"7702013","11.827","0.002","21.12","0.004","18.536","0.004","90","","103.533","0.003","90","","4501.5","1.5","105","2","105","2","","","101.3","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","3a","","","- C53 H50 Cl Fe N P2 Pt -","- C53 H50 Cl Fe N P2 Pt -","- C212 H200 Cl4 Fe4 N4 P8 Pt4 -","4","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.","Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1969","1981","10.1039/c4dt02375g","","","0.71073","MoKα","","0.0933","0.0477","","","0.085","0.1005","","","","","","0.967","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7702014","9.8055","0.0005","39.311","0.002","11.2304","0.0006","90","","101.284","0.001","90","","4245.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3b","","","- C48 H52 Cl N O P2 Pt -","- C48 H52 Cl N O P2 Pt -","- C192 H208 Cl4 N4 O4 P8 Pt4 -","4","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.","Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1969","1981","10.1039/c4dt02375g","","","0.71073","MoKα","","0.043","0.0288","","","0.0495","0.0528","","","","","","1.02","","","","has coordinates","232792","2020-10-21","18:00:00",""
"7702020","13.867","0.003","18.913","0.004","30.893","0.007","90","","90","","90","","8102","3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C12 H52 N6 O29 V10 -","- C12 H40 N6 O29 V10 -","- C96 H320 N48 O232 V80 -","8","0.5","","Pradhan, Mukul; Roy, Anindita; Sinha, Arun Kumar; Sahoo, Ramkrishna; Deb, Dibakar; Pal, Tarasankar","Solid-state transformation of single precursor vanadium complex nanostructures to V₂O₅ and VO₂: catalytic activity of V₂O₅ for oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1889","1899","10.1039/c4dt02863e","","","0.71073","MoKα","","0.0881","0.0409","","","0.0955","0.1148","","","","","","1.021","","","","has coordinates","232799","2020-10-21","18:00:00",""
"7702021","10.7165","0.0016","12.7361","0.0019","32.695","0.005","90","","95.618","0.008","90","","4441","1.2","150","","149.7","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 B2 F20 N6 O8 -","- C40 H20 B2 F20 N6 O8 -","- C160 H80 B8 F80 N24 O32 -","4","1","","Melen, Rebecca L.; Stephan, Douglas W.","Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5045","5048","10.1039/c5dt00316d","","","0.71073","MoKα","","0.1316","0.0532","","","0.1164","0.1484","","","","","","1.0187","","","","has coordinates","233429","2020-10-21","18:00:00",""
"7702022","12.5226","0.0005","13.5536","0.0006","19.7868","0.0008","90","","90.769","0.002","90","","3358","0.2","150","","149.7","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 B2 F20 N6 O4 -","- C30 H6 B2 F20 N6 O4 -","- C120 H24 B8 F80 N24 O16 -","4","1","","Melen, Rebecca L.; Stephan, Douglas W.","Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5045","5048","10.1039/c5dt00316d","","","0.71073","MoKα","","0.0789","0.0443","","","0.0956","0.113","","","","","","1.0166","","","","has coordinates","233429","2020-10-21","18:00:00",""
"7702023","10.2625","0.0004","18.4212","0.0007","14.2535","0.0005","90","","100.91","0.002","90","","2645.89","0.17","150","","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 B F15 N -","- C27 H19 B F15 N -","- C108 H76 B4 F60 N4 -","4","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.0494","0.0368","","","0.0929","0.1006","","","","","","1.0542","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702024","17.75","0.005","16.032","0.004","20.783","0.006","90","","90","","90","","5914","3","150","","149.7","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28.5 H21 B Cl F15 N O -","- C28.5 H21 B Cl F15 N O -","- C228 H168 B8 Cl8 F120 N8 O8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.1134","0.0811","","","0.23","0.2505","","","","","","1.0628","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702025","18.886","0.004","16.05","0.003","19.128","0.004","90","","90","","90","","5798","2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H21 B F15 N -","- C32 H21 B F15 N -","- C256 H168 B8 F120 N8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.1129","0.0687","","","0.165","0.1912","","","","","","1.0743","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702026","19.4606","0.001","9.1786","0.0004","15.6625","0.0008","90","","90","","90","","2797.7","0.2","150","","149.71","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H23 B F15 N -","- C30 H23 B F15 N -","- C120 H92 B4 F60 N4 -","4","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.04","0.0315","","","0.0649","0.0688","","","","","","1.0481","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702027","17.3531","0.0015","16.1365","0.0015","22.7522","0.0017","90","","90","","90","","6371","0.9","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B F15 N O -","- C33 H25 B F15 N O -","- C264 H200 B8 F120 N8 O8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.0656","0.0413","","","0.0962","0.1112","","","","","","1.0647","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702028","34.648","0.002","27.6088","0.0013","14.0477","0.0009","90","","101.403","0.007","90","","13172.6","1.3","150","","150","","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C114 H72 N12 O36 Re6 -","- C114 H72 N12 O36.416 Re6 -","- C456 H288 N48 O145.664 Re24 -","4","0.5","","Nagarajaprakash, R.; Govindarajan, R.; Manimaran, Bala","One-pot synthesis of oxamidato-bridged hexarhenium trigonal prisms adorned with ester functionality.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11732","11740","10.1039/c5dt01102g","","","0.71073","MoKα","","0.1131","0.0629","","","0.1562","0.1779","","","","","","1.037","","","","has coordinates,has disorder","233433","2020-10-21","18:00:00",""
"7702029","9.0825","0.0001","18.5934","0.0003","7.8629","0.0001","90","","109.352","0.001","90","","1252.82","0.03","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cu N O9 P3 -","- C8 H5 Cu N O9 P3 -","- C32 H20 Cu4 N4 O36 P12 -","4","1","","Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki","New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12717","12725","10.1039/c5dt01137j","","","1.54187","CuKα","","0.0323","0.0315","","","0.0909","0.0916","","","","","","1.125","","","","has coordinates","233435","2020-10-21","18:00:00",""
"7702030","28.4774","0.0005","9.4694","0.0001","18.8921","0.0003","90","","90","","90","","5094.52","0.13","300","","300","","","","","","","","","6","C m c e","-C 2ac 2","64","CuBP-bpy","","","- C16 H25 Cu2 N2 O15 P3 -","- C16 H11 Cu2 N2 O15 P3 -","- C128 H88 Cu16 N16 O120 P24 -","8","0.5","","Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki","New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12717","12725","10.1039/c5dt01137j","powder diffraction","","0.99752","synchrotron","","0.01657","","","","","","0.01524","0.03183","0.7117","","","","","","","has coordinates","233435","2020-10-21","18:00:00",""
"7702031","33.7186","0.0011","7.9481","0.0003","20.591","0.0005","90","","90","","90","","5518.4","0.3","173","","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H19 Cu2 N2 O15 P3 -","- C18 H19 Cu2 N2 O15 P3 -","- C144 H152 Cu16 N16 O120 P24 -","8","0.5","","Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki","New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12717","12725","10.1039/c5dt01137j","","","1.54187","CuKα","","0.0464","0.0445","","","0.1153","0.1164","","","","","","1.145","","","","has coordinates","233435","2020-10-21","18:00:00",""
"7702032","25.967","0.0002","25.967","0.0002","17.976","0.0002","90","","90","","90","","12121","0.19","123","2","123","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C49.2 H57.8 Cl Cu3 N4.6 P6 -","- C49.2 H57.8 Cl Cu3 N4.6 P6 -","- C393.6 H462.4 Cl8 Cu24 N36.8 P48 -","8","0.5","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.1079","0.0952","","","0.2504","0.2604","","","","","","1.053","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702033","13.5753","0.0003","26.0211","0.0006","15.6295","0.0004","90","","97.061","0.002","90","","5479.2","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H57.5 Cl5 Cu5 K N6 O3.5 P3 -","- C39 H57.5 Cl5 Cu5 K N6 O3.5 P3 -","- C156 H230 Cl20 Cu20 K4 N24 O14 P12 -","4","1","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0788","0.0441","","","0.1017","0.1082","","","","","","0.882","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702034","19.5159","0.0003","25.8364","0.0004","13.6766","0.0002","90","","127.405","0.001","90","","5477.94","0.16","123","2","123","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C34.6 H45.9 Br5 Cu5 K N5.3 O P3 -","- C33.6 H46.1 Br4.96 Cu5 K N5.3 O0.75 P3 -","- C134.4 H184.4 Br19.84 Cu20 K4 N21.2 O3 P12 -","4","0.5","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","","1.54178","CuKα","","0.049","0.0425","","","0.135","0.1394","","","","","","1.11","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702035","15.5501","0.0002","15.5501","0.0002","9.3497","0.0002","90","","90","","90","","2260.81","0.06","123","1","123","1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C28 H34 Cu5 I4 N4 P3 -","- C28 H34 Cu5 I4 N4 P3 -","- C56 H68 Cu10 I8 N8 P6 -","2","0.25","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","","1.54178","CuKα","","0.0881","0.0756","","","0.2114","0.2197","","","","","","1.055","","","","has coordinates","233438","2020-10-21","18:00:00",""
"7702036","11.9259","0.001","12.3005","0.0007","20.8887","0.0011","79.096","0.005","89.381","0.005","64.029","0.007","2696.1","0.4","123.1","0.4","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.6 H49.5 Cu7 I6 N5.5 O0.4 P3 -","- C35.6 H49.5 Cu7 I6 N5.5 O0.4 P3 -","- C71.2 H99 Cu14 I12 N11 O0.8 P6 -","2","1","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0613","0.0509","","","0.1376","0.1416","","","","","","1.011","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702037","13.1219","0.0002","27.5544","0.0006","13.981","0.0004","90","","95.626","0.002","90","","5030.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C64.2 H105.3 Cl6 Cu9 N17.1 P9 -","- C62.2 H105.3 Cl5.75 Cu9 N16.1 P9 -","- C124.4 H210.6 Cl11.5 Cu18 N32.2 P18 -","2","0.5","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0641","0.0466","","","0.1293","0.1425","","","","","","1.03","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702038","35.5021","0.0001","35.5021","0.0001","35.5021","0.0001","90","","90","","90","","44746.8","0.2","123","2","123","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C33.8 H59.67 Cl6.85 Cu9.85 N1.9 P9 -","- C32.5334 H55.9998 Cl6.8501 Cu9.8501 N1.2667 P9 -","- C1041.07 H1791.99 Cl219.203 Cu315.203 N40.5344 P288 -","32","0.333333","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0466","0.046","","","0.1327","0.1332","","","","","","1.071","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702039","35.779","0.0001","35.779","0.0001","35.779","0.0001","90","","90","","90","","45802","0.2","123","2","123","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C33.13 H58.7 Br7.1 Cu10.1 N1.57 P9 -","- C32.3336 H55.9998 Br7.1001 Cu10.1 N1.1667 P9 -","- C1034.68 H1791.99 Br227.203 Cu323.2 N37.3344 P288 -","32","0.333333","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0874","0.0875","","","","","","1.069","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702040","18.0501","0.0003","13.3882","0.0003","29.8992","0.0006","90","","90.068","0.002","90","","7225.4","0.2","122.98","0.17","122.98","0.17","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H84 Cu7 I6 K O6 P6 -","- C44 H84 Cu7 I6 K O6 P6 -","- C176 H336 Cu28 I24 K4 O24 P24 -","4","1","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.1171","0.113","","","0.3039","0.3063","","","","","","1.133","","","","has coordinates","233438","2020-10-21","18:00:00",""
"8000214","14.1274","0.0003","7.4879","0.0001","24.8944","0.0018","90","","97.826","0.007","90","","2608.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 S6 -","- C68 H46 S6 -","- C136 H92 S12 -","2","0.5","","Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio","Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes.","The journal of physical chemistry letters","2015","6","18","3754","3759","10.1021/acs.jpclett.5b01662","","","1.54187","CuKα","","0.0848","0.0714","","","0.208","0.2204","","","","","","1.044","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000348","18.8585","0.0007","22.2711","0.0008","29.2473","0.0012","96.472","0.002","106.952","0.003","111.124","0.003","10629","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H216 Ag3.96 Au34.04 S24 -","- C192 H216 Ag3.96 Au34.04 S24 -","- C384 H432 Ag7.92 Au68.08 S48 -","2","1","","Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala","X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules.","The journal of physical chemistry letters","2015","6","7","1223","1228","10.1021/acs.jpclett.5b00270","","","0.7749","synchrotron","","0.0979","0.0492","","","0.0968","0.1125","","","","","","1.014","","","","has coordinates,has disorder","236640","2020-10-21","18:00:00",""
"8107630","4.915","0.004","4.915","0.004","15.45","0.01","90","","90","","120","","323.2","0.4","","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C2 Cd F Li2 O6 Rb -","- C2 Cd F Li2 O6 Rb -","- C4 Cd2 F2 Li4 O12 Rb2 -","2","0.166667","","Chen, Jie; Luo, Min; Ye, Ning","Crystal structure of a new alkaline-cadmium carbonate Li2RbCd(CO3)2F, C2CdFLi2O6Rb","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","1","2","10.1515/ncrs-2014-9048","","x-ray","0.71073","MoKα","","","0.0242","","","0.0571","","","","","","","","","","","has coordinates","286983","2023-10-16","08:13:59",""
"8107631","8.673","0.0005","8.673","0.0005","12.443","0.001","90","","90","","90","","935.97","0.11","","","295","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","pentastrontium bis(dinitridocobaltate(I))","","","- Co2 N4 Sr5 -","- Co2 N4 Sr5 -","- Co8 N16 Sr20 -","4","0.25","","Ovchinnikov, Alexander; Höhn, Peter; Borrmann, Horst; Kazancioğlu, Monika; Kniep, Rüdiger","Crystal structure of pentastrontium bis(dinitridocobaltate(I)), Sr5[CoN2]2, Co2N4Sr5","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","3","4","10.1515/ncrs-2014-9131","","x-ray","0.71073","MoKα","","","0.0293","","","0.0684","","","","","","","","","","","has coordinates","286984","2023-10-16","08:48:44",""
"8107632","10.0547","0.0004","9.8289","0.0003","16.6993","0.0007","90","","90.659","0.002","90","","1650.23","0.11","","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-[2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichloro-phenyl)ethyl]-1H-imidazole","","","- C16 H13 Cl3 N2 O S -","- C16 H13 Cl3 N2 O S -","- C64 H52 Cl12 N8 O4 S4 -","4","1","","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","Crystal structure of 1-[2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl) ethyl]-1H-imidazole, C16H13Cl3N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","5","6","10.1515/ncrs-2014-0210","","x-ray","0.71073","MoKα","","","0.0386","","","0.0891","","","","","","","","","","","has coordinates","287110","2023-10-25","07:33:26",""
"8107633","8.7507","0.0001","15.8341","0.0002","29.9642","0.0004","90","","90","","90","","4151.82","0.09","","","150","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Au Cl N2 -","- C24 H26 Au -","- C192 H208 Au8 -","8","1","","Huang, Yao-Huei; Lee, Hon Man","Crystal structure of chlorido-(1,3-dimesitylimidazolidin-2-ylidene-κ1C)- gold(I), C21H26AuClN2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","7","8","10.1515/ncrs-2014-9080","","x-ray","0.71073","MoKα","","","0.0204","","","0.0403","","","","","","","","","","","has coordinates","287123","2023-10-26","07:49:28",""
"8107634","7.4237","0.0004","8.7173","0.0005","11.3227","0.0006","73.411","0.002","72.173","0.003","68.967","0.003","638.24","0.06","","","200","","","","","","","","","5","P -1","-P 1","2","3,5-diaza-methyl-2-methyl-6-oxo-6-phenyl-4-thioxohexanoate","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","","Odame, Felix; Hosten, Eric C.; Tshentu, Zenixole R.; Betz, Richard","Crystal structure of 3,5-diaza-methyl-2-methyl-6-oxo-6-phenyl-4- thioxohexanoate, at 200 K, C12H14N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","9","10","10.1515/ncrs-2014-0217","","x-ray","0.71073","MoKα","","","0.0426","","","0.1158","","","","","","","","","","","has coordinates","287139","2023-10-27","06:37:28",""
"8107635","27.441","0.006","7.569","0.002","19.961","0.005","90","","111.521","0.002","90","","3856.9","1.6","","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Co N3 O7 -","- C20 H17 Co N3 O7 -","- C160 H136 Co8 N24 O56 -","8","1","","Yin, Wei-Dong; Li, Gui-Lian","Crystal structure of poly[aqua(1,2-bis(4-pyridyl)ethane-κ2N:N’)(4-nitro- 1,2-benzenedicarboxylate-κ3O,O’:O’’)cobalt(II)], C20H17CoN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","11","12","10.1515/ncrs-2014-0218","","x-ray","0.71073","MoKα","","","0.0477","","","0.1115","","","","","","","","","","","has coordinates","287140","2023-10-27","07:18:51",""
"8107636","4.0727","0.0002","22.256","0.001","11.4854","0.0006","90","","98.364","0.003","90","","1029.99","0.09","","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide","","","- C9 H10 N2 O S2 -","- C9 H10 N2 O S2 -","- C36 H40 N8 O4 S8 -","4","1","","Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard","Crystal structure of (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide, C9H10N2OS2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","13","14","10.1515/ncrs-2014-0223","","x-ray","0.71073","MoKα","","","0.0295","","","0.0725","","","","","","","","","","","has coordinates","287141","2023-10-27","07:42:28",""
"8107637","12.2013","0.0003","12.2013","0.0003","7.1016","0.0002","90","","90","","90","","1057.23","0.05","","","200","","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perrhenate(VII)","","","- C24 H20 O4 P Re -","- C24 H20 O4 P Re -","- C48 H40 O8 P2 Re2 -","2","0.25","","Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of a second polymorph of tetraphenylphosphonium perrhenate(VII), at 200 K, C24H20O4PRe","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","15","16","10.1515/ncrs-2014-0224","","x-ray","0.71073","MoKα","","","0.017","","","0.0416","","","","","","","","","","","has coordinates","287142","2023-10-27","08:38:35",""
"8107638","7.6067","0.0002","6.5835","0.0002","18.5042","0.0005","90","","97.29","0.001","90","","919.18","0.04","","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N2 S4 -","- C16 H16 Cu N2 S4 -","- C32 H32 Cu2 N4 S8 -","2","0.5","","Onwudiwe, Damian C.; Strydom, Christien A.; Hosten, Eric C.","Redetermination of the crystal structure of bis(N-methyl-N-phenyldithiocarbamato- κ2S,S’)copper(II), C16H16CuN2S4","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","17","18","10.1515/ncrs-2014-0225","","x-ray","0.71073","MoKα","","","0.0243","","","0.0626","","","","","","","","","","","has coordinates","287143","2023-10-27","09:02:38",""
"8107639","16.435","0.001","12.9012","0.0009","8.6788","0.0005","90","","90.007","0.004","90","","1840.2","0.2","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(2-cyano-1,5-dimethyl- 4-pyrryl)-2-(2-methyl-5-formyl-3- thienyl)-3,3,4,4,5,5-hexafluorocyclopent- 1-ene","","","- C18 H12 F6 N2 O S -","- C18 H12 F6 N2 O S -","- C72 H48 F24 N8 O4 S4 -","4","1","","Zheng, Chunhong; Fan, Congbin; Pu, Shouzhi","Crystal structure of the photochromic compound 1-(2-cyano-1,5-dimethyl- 4-pyrryl)-2-(2-methyl-5-formyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent- 1-ene, C18H12F6N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","19","20","10.1515/ncrs-2014-9000","","x-ray","0.71073","MoKα","","","0.0531","","","0.1399","","","","","","","","","","","has coordinates","287489","2023-11-09","08:15:07",""
"8107640","8.1836","0.0002","8.4974","0.0002","10.8493","0.0003","82.291","0.001","79.191","0.001","69.961","0.001","694.2","0.03","","","200","","","","","","","","","5","P -1","-P 1","2","benzyltriethylammoniumchloride monohydrate","","","- C13 H24 Cl N O -","- C13 H24 Cl N O -","- C26 H48 Cl2 N2 O2 -","2","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of benzyltriethylammoniumchloride monohydrate at 200 K – localization of hydrogen atoms, C13H24ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","21","22","10.1515/ncrs-2014-9024","","x-ray","0.71073","MoKα","","","0.0305","","","0.0876","","","","","","","","","","","has coordinates","287490","2023-11-09","09:59:07",""
"8107641","24.2146","0.0006","8.9277","0.0002","31.2847","0.0007","90","","118.864","0.002","90","","5922.9","0.3","","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(u2-S-(Z)-3-(hydroxido(phenyl)methylene)-1,1- diphenyl thioureaa-kO,S,S)hexacarbonyl dirhenium(I)","","","- C60 H52 N4 O8 Re2 S2 -","- C60 H52 N4 O8 Re2 S2 -","- C240 H208 N16 O32 Re8 S8 -","4","1","","Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of bis(μ2-S-(Z)-3-(hydroxido(phenyl)methylene)-1,1- diphenyl thioureaa-κO,S,S)hexacarbonyl dirhenium(I), C60H52N4O8Re2S2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","23","26","10.1515/ncrs-2014-0230","","x-ray","0.71073","MoKα","","","0.036","","","0.0786","","","","","","","","","","","has coordinates","287491","2023-11-09","11:05:25",""
"8107642","3.9398","0.0002","12.5823","0.0006","9.8199","0.0004","90","","106.934","0.002","90","","465.68","0.04","","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-bromo-1H-imidazole","","","- C3 H3 Br N2 -","- C3 H3 Br N2 -","- C12 H12 Br4 N8 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","27","28","10.1515/ncrs-2014-0232","","x-ray","0.71073","MoKα","","","0.0296","","","0.0758","","","","","","","","","","","has coordinates","287508","2023-11-10","08:32:05",""
"8107643","6.0941","0.0006","7.3417","0.0007","24.394","0.002","90","","90","","90","","1091.41","0.17","","","200","","","","","","","","","4","P c a 21","P 2c -2ac","29","4-bromo-4'-methoxy-biphenyl,","","","- C13 H11 Br O -","- C13 H11 Br O -","- C52 H44 Br4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of 4-bromo-4’-methoxy-biphenyl, at 200 K, C13H11BrO","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","29","30","10.1515/ncrs-2014-0233","","x-ray","0.71073","MoKα","","","0.0472","","","0.1175","","","","","","","","","","","has coordinates","287509","2023-11-10","09:05:07",""
"8107644","15.954","0.0019","7.7489","0.0009","17.811","0.002","90","","90","","90","","2201.9","0.4","","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly[mu4-2,6-dimethyl-pyridine-3,5-dicarboxylate- k6O,O':O',O'',O''':O'''] calcium(II)","","","- C9 H11 Ca N O6 -","- C9 H11 Ca N O6 -","- C72 H88 Ca8 N8 O48 -","8","1","","Zhao, Yan; Li, Shi-Hui; Zhang, Li","Crystal structure of poly[μ4-2,6-dimethyl-pyridine-3,5-dicarboxylate- κ6O,O’:O’,O’’,O’’’:O’’’] calcium(II), C9H11CaNO6","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","31","32","10.1515/ncrs-2014-9068","","x-ray","0.71073","MoKα","","","0.0398","","","0.101","","","","","","","","","","","has coordinates","287510","2023-11-10","09:25:16",""
"8107645","5.8945","0.0004","6.0522","0.0003","10.7643","0.0007","101.219","0.002","90.581","0.002","95.445","0.002","374.81","0.04","","","200","","","","","","","","","3","P -1","-P 1","2","endo-2-carboxy-bicyclo[2.2.1]-heptane","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Schalekamp, Henk; Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of endo-2-carboxy-bicyclo[2.2.1]- heptane, C8H12O2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","33","34","10.1515/ncrs-2014-0235","","x-ray","0.71073","MoKα","","","0.0417","","","0.1105","","","","","","","","","","","has coordinates","287511","2023-11-10","10:05:40",""
"8107646","8.831","0.0004","9.779","0.0004","20.4514","0.0008","87.361","0.002","78.463","0.002","76.439","0.002","1682.22","0.12","","","200","","","","","","","","","5","P -1","-P 1","2","4-bromobenzoic acid-triphenylphosphane oxide-water(1:2:1)","","","- C79 H69 Br O8 P4 -","- C79 H69 Br O8 P4 -","- C79 H69 Br O8 P4 -","1","0.5","","Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-bromobenzoic acid — triphenylphosphane oxide — water (1:2:1), C79H69BrO8P4","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","35","37","10.1515/ncrs-2014-0226","","x-ray","0.71073","MoKα","","","0.0331","","","0.0907","","","","","","","","","","","has coordinates","287512","2023-11-10","10:33:50",""
"8107647","20.817","0.0006","7.8774","0.0003","21.8896","0.0006","90","","110.596","0.002","90","","3360.11","0.19","","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropyl- imino)methyl)phenol rhenium(I) toluene solvate","","","- C33 H34 N4 O10 Re2 -","- C33 H37 N4 O10 Re2 -","- C132 H148 N16 O40 Re8 -","4","0.5","","Habarurema, Gratien; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropylimino) methyl)phenol rhenium(I) toluene solvate, C33H34N4O10Re2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","38","40","10.1515/ncrs-2014-0221","","x-ray","0.71073","MoKα","","","0.0166","","","0.0351","","","","","","","","","","","has coordinates","287561","2023-11-13","08:48:42",""
"8107648","14.604","0.001","18.865","0.002","11.0673","0.0009","90","","90","","90","","3049.1","0.5","","","296","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H72 N8 Ni2 O20 S4 -","- C52 H72 N8 Ni2 O20 S4 -","- C104 H144 N16 Ni4 O40 S8 -","2","0.5","","Han, Min-Le; Du, De-Guang","Crystal structure of catena[(tetraaqua-bis(μ2-(4,4'-bipyridine-κ2N:N'))- nickel(II)][(diaqua-bis(3-methyl-4-amino-benzensulphonate-κ1O)-bis(μ2- (4,4'-bipyridine-κ2N:N'))nickel(II)]—3-methyl-4-aminobenzensulphonate— ethanol (1:2:2), C52H72N8Ni2O20S4","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","41","43","10.1515/ncrs-2014-0222","","x-ray","0.71073","MoKα","","","0.0282","","","0.0727","","","","","","","","","","","has coordinates","287562","2023-11-13","09:27:58",""
"8107649","22.178","0.001","12.4411","0.0005","17.1519","0.0007","90","","90.27","0.002","90","","4732.5","0.3","","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tert- butyl)benzoyl)pyridine-2-amine)rhenium(I)","","","- C24 H21 Cl N3 O4 Re -","- C24 H21 Cl N3 O4 Re -","- C192 H168 Cl8 N24 O32 Re8 -","8","1","","Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl) benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","44","46","10.1515/ncrs-2014-9029","","x-ray","0.71073","MoKα","","","0.0179","","","0.0376","","","","","","","","","","","has coordinates","287563","2023-11-13","10:07:52",""
"8107650","11.0847","0.0002","9.9392","0.0002","19.5046","0.0003","90","","102.164","0.001","90","","2100.64","0.07","","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)- thiocarbonohydrazide ethanol solvate","","","- C19 H24 N4 O5 S -","- C19 H24 N4 O5 S -","- C76 H96 N16 O20 S4 -","4","1","","Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C; Betz, Richard","Crystal structure of 1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)- thiocarbonohydrazide ethanol solvate, at 200 K, C19H24N4O5S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","47","49","10.1515/ncrs-2014-0228","","x-ray","0.71073","MoKα","","","0.0395","","","0.1069","","","","","","","","","","","has coordinates","287564","2023-11-13","10:30:05",""
"8107713","10.6902","0.0004","12.9126","0.0004","15.1755","0.0005","92.277","0.002","104.928","0.002","111.714","0.002","1859.08","0.12","","","173","","","","","","","","","5","P -1","-P 1","2","is(dicyclohexylammonium) 4-(2-carboxylato- phenyl)-3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate","","","- C37 H62 N4 O5 S -","- C37 H62 N4 O5 S -","- C74 H124 N8 O10 S2 -","2","1","","Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Crystal structure of bis(dicyclohexylammonium) 4-(2-carboxylatophenyl)- 3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate, C37H62N4O5S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","53","55","10.1515/ncrs-2014-0209","","x-ray","0.71073","MoKα","","","0.038","","","0.0999","","","","","","","","","","","has coordinates","288032","2023-12-05","10:30:32",""
"8107714","9.9185","0.0003","27.256","0.0007","10.0375","0.0002","90","","109.082","0.001","90","","2564.42","0.11","","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl N4 O3 Re -","- C24 H28 Cl N4 O3 Re -","- C96 H112 Cl4 N16 O12 Re4 -","4","1","","Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of fac-tricarbonyl-chlorido-bis(para-N’,N’-dimethyl-κ- N-pyridyl)rhenium(I) toluene (1:1), C24H28ClN4O3Re","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","56","58","10.1515/ncrs-2014-0236","","x-ray","0.71073","MoKα","","","0.0471","","","0.0886","","","","","","","","","","","has coordinates","288114","2023-12-07","08:35:07",""
"8107715","4.0853","0.0002","9.6025","0.0004","21.989","0.001","90","","90","","90","","862.61","0.07","","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-bromophenacyl bromide","","","- C8 H6 Br2 O -","- C8 H6 Br2 O -","- C32 H24 Br8 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","59","60","10.1515/ncrs-2014-9027","","x-ray","0.71073","MoKα","","","0.0208","","","0.0492","","","","","","","","","","","has coordinates","288116","2023-12-07","09:04:36",""
"8107716","8.2038","0.0003","19.881","0.0007","24.0661","0.0008","90","","90","","90","","3925.2","0.2","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one","","","- C21 H18 O4 S2 -","- C21 H18 O4 S2 -","- C168 H144 O32 S16 -","8","1","","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one, C21H18O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","61","62","10.1515/ncrs-2014-9040","","x-ray","1.54178","MoKα","","","0.049","","","0.1426","","","","","","","","","","","has coordinates","288212","2023-12-11","09:19:41",""
"8107717","4.501","0.002","16.229","0.008","24.2","0.01","90","","90","","90","","1767.7","1.4","","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-p- tolyl-furan","","","- C19 H15 Br2 Cl O -","- C19 H15 Br2 Cl O -","- C76 H60 Br8 Cl4 O4 -","4","1","","Li, Shi-Hui; Zhao, Yan; Zhang, Meng-Yin","Crystal structure of 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-ptolyl- furan, C19H15Br2ClO","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","63","64","10.1515/ncrs-2014-9050","","x-ray","0.71073","MoKα","","","0.035","","","0.0637","","","","","","","","","","","has coordinates","288213","2023-12-11","09:41:03",""
"8107718","6.8195","0.0005","9.6727","0.0008","13.268","0.001","98.491","0.002","100.571","0.002","107.434","0.002","801.44","0.11","","","296","","","","","","","","","5","P -1","-P 1","2","2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile","","","- C18 H10 Cl2 N2 O -","- C18 H10 Cl2 N2 O -","- C36 H20 Cl4 N4 O2 -","2","1","","Yanping, Yi","Crystal structure of 2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile, C18H10Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","65","66","10.1515/ncrs-2014-9063","","x-ray","0.71073","MoKα","","","0.0436","","","0.1224","","","","","","","","","","","has coordinates","288214","2023-12-11","10:34:52",""
"8107719","8.561","0.0002","11.012","0.0003","13.214","0.0004","90","","107.345","0.001","90","","1189.09","0.06","","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemi- carbazide","","","- C10 H12 Br N3 S -","- C10 H12 Br N3 S -","- C40 H48 Br4 N12 S4 -","4","1","","Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard","Crystal structure of 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemicarbazide, C10H12BrN3S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","67","68","10.1515/ncrs-2014-9025","","x-ray","0.71069","MoKα","","","0.0249","","","0.065","","","","","","","","","","","has coordinates","288215","2023-12-11","10:54:07",""
"8107720","15.771","0.004","11.101","0.003","22.072","0.006","90","","101.986","0.009","90","","3780","1.7","","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride","","","- C18 H19 Cl N4 O2 S -","- C18 H19 Cl N4 O2 S -","- C144 H152 Cl8 N32 O16 S8 -","8","1","","Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","69","70","10.1515/ncrs-2014-0229","","x-ray","0.71073","MoKα","","","0.0551","","","0.1538","","","","","","","","","","","has coordinates","288302","2023-12-14","09:11:45",""
"8107721","18.692","0.004","5.8557","0.0013","12.575","0.003","90","","106.875","0.003","90","","1317.1","0.5","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","alpha-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile","","","- C14 H8 Cl2 N2 O -","- C14 H8 Cl2 N2 O -","- C56 H32 Cl8 N8 O4 -","4","1","","Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke","Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","71","72","10.1515/ncrs-2014-9033","","x-ray","0.71073","MoKα","","","0.0392","","","0.1127","","","","","","","","","","","has coordinates","288303","2023-12-14","09:37:41",""
"9017090","7.3951","","5.0117","","5.4417","","90","","95.666","","90","","200.695","","","","311.15","","","","","","","","Synthetic","2","I 1 2/a 1","-I 2ya","15","","","Hydrohematite","- Fe1.946 O3 -","- Fe7.784 O12 -","- Fe7.784 O12 -","","","","Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J.","A refined monoclinic structure for a variety of ""hydrohematite"" Note: T = 38 C","American Mineralogist","2015","100","","570","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017091","5.7563","","11.2538","","14.8627","","90","","90","","90","","962.809","","","","","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","","Klebelsbergite","- H2 O10 S Sb4 -","- H8 O40 S4 Sb16 -","- H8 O40 S4 Sb16 -","","","","Roper, A. J.; Leverett, P.; Murphy, T. D.; Williams, P. A.; Hibbs, D. E.","Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, and refinement of its structure","American Mineralogist","2015","100","","602","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017092","2.8889","","9.7282","","12.5523","","90","","90","","90","","352.767","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2.017 Mg1.983 O5 -","- Fe8.0664 Mg7.9336 O20 -","- Fe8.0664 Mg7.9336 O20 -","","","","Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B.","Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member","American Mineralogist","2015","100","","628","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017093","11.22955","","5.1396","","11.7514","","90","","141.312","","90","","423.952","","","","","","","","100","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","- Al2 Li2 O20 Si8 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017094","11.2067","","5.1228","","11.716","","90","","141.243","","90","","421.069","","","","","","","","320000","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","- Al2 Li2 O20 Si8 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017095","11.1895","","5.11","","11.6872","","90","","141.19","","90","","418.826","","","","","","","","560000","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","- Al2 Li2 O20 Si8 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017096","11.1705","","5.0963","","11.6569","","90","","141.134","","90","","416.413","","","","","","","","890000","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","- Al2 Li2 O20 Si8 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 0.89 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017097","11.1425","","5.0723","","11.6092","","90","","141.074","","90","","412.257","","","","","","","","1250000","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","- Al2 Li2 O20 Si8 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017098","10.8301","","5.053","","33.59","","90","","140.665","","90","","1165.15","","","","","","","","2710000","","","","Aracuai pegmatite district, Minas Gerais, Brazil","4","P 1 2/c 1","-P 2yc","13","","","Petalite-beta","- Al3 Li3 O30 Si12 -","- Al6 Li6 O60 Si24 -","- Al6 Li6 O60 Si24 -","","","","Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.","Petalite under pressure: Elastic behavior and phase stability Note: P = 2.71 GPa","American Mineralogist","2015","100","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017099","9.8087","","17.8448","","5.2905","","90","","103.66","","90","","899.826","","","","","","","","","","","","Jade Mine Tract, Kachin Province, Myanmar","11","C 1 2/m 1","-C 2y","12","","","Eckermannite","- Al0.62 Ca0.11 F0.03 Fe0.486 H1.97 K0.067 Mg3.884 Mn0.01 Na2.829 O23.97 Si8 -","- Al1.24 Ca0.22 F0.06 Fe0.972 H3.94 K0.134 Mg7.768 Mn0.02 Na5.658 O47.94 Si16 -","- Al1.24 Ca0.22 F0.06 Fe0.972 H3.94 K0.134 Mg7.768 Mn0.02 Na5.658 O47.94 Si16 -","","","","Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E.","Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal structure, mineral data, and hints on the reasons for the rarity of eckermannite Note: Sample AMNH H108401","American Mineralogist","2015","100","","909","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017100","9.504","","9.504","","6.347","","90","","90","","120","","496.492","","","","","","","","","","","","Cross Lake, Manitoba, Canada","7","P 63/m","-P 6c","176","","","Pieczkaite","- Ca1.39 Cl0.72 Fe0.26 H0.28 Mn3.41 O12.28 P3 -","- Ca1.39 Cl0.72 Fe0.26001 H0.28 Mn3.40999 O12.28 P3 -","- Ca2.78 Cl1.44 Fe0.52002 H0.56 Mn6.81998 O24.56 P6 -","2","0.166667","","Tait, K.; Ball, N. A.; Hawthorne, F. C.","Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake, Manitoba, Canada: Description and crystal structure","American Mineralogist","2015","100","","1047","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017101","14.5975","","14.11","","14.4394","","90","","90.0399","","90","","2974.09","","","","","","","","","","","","Darai-Pioz alkaline massif, Tajikistan","10","C 1 2/m 1","-C 2y","12","","","Yusupovite","- Cs0.44 H20.16 Hf0.04 K0.48 Na7.04 Nb0.08 O70.08 Si24 Y0.68 Zr3.28 -","- Cs0.44 H20.16 Hf0.04 K0.48 Na7.04 Nb0.08 O70.08 Si24 Y0.68 Zr3.28 -","- Cs0.88 H40.32 Hf0.08 K0.96 Na14.08 Nb0.16 O140.16 Si48 Y1.36 Zr6.56 -","2","0.25","","Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Pekov, I. V.; Siidra, O. I.","Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline massif and its implications as a new microporous filter for large ions","American Mineralogist","2015","100","","1502","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017102","4.7903","","4.7903","","15.72","","90","","90","","120","","312.398","","","","","","","","100","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017103","4.6581","","4.6581","","14.213","","90","","90","","120","","267.075","","","","","","","","22500000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017104","4.6554","","4.6554","","14.149","","90","","90","","120","","265.565","","","","","","","","23650000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017105","4.6473","","4.6473","","14.075","","90","","90","","120","","263.257","","","","","","","","25340000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017106","4.6416","","4.6416","","13.967","","90","","90","","120","","260.597","","","","","","","","27450000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p4 Note: P = 27.45 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017107","4.6301","","4.6301","","13.83","","90","","90","","120","","256.764","","","","","","","","30480000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p5 Note: P = 30.48 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017108","4.6278","","4.6278","","13.797","","90","","90","","120","","255.897","","","","","","","","31190000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p6 Note: P = 31.19 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017109","4.6193","","4.6193","","13.696","","90","","90","","120","","253.091","","","","","","","","33560000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p7 Note: P = 33.56 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017110","4.61","","4.61","","13.582","","90","","90","","120","","249.975","","","","","","","","36200000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p8 Note: P = 36.20 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017111","4.6024","","4.6024","","13.517","","90","","90","","120","","247.959","","","","","","","","37580000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p9 Note: P = 37.58 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017112","4.5927","","4.5927","","13.332","","90","","90","","120","","243.535","","","","","","","","40800000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p10 Note: P = 40.80 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017113","2.936","","4.841","","5.568","","100.82","","94.93","","90.18","","77.429","","","","","","","","44460000","","","","Sardegna, Italy","4","P -1","-P 1","2","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C2 Ca0.08 Mn1.92 O6 -","- C2 Ca0.08 Mn1.92 O6 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11 Note: P = 44.46 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017114","2.928","","4.816","","5.545","","101.71","","94.99","","89.9","","76.264","","","","","","","","46790000","","","","Sardegna, Italy","4","P -1","-P 1","2","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C2 Ca0.08 Mn1.92 O6 -","- C2 Ca0.08 Mn1.92 O6 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p11a Note: P = 46.79 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017115","2.934","","4.839","","5.557","","101.87","","95.29","","89.73","","76.872","","","","","","","","44010000","","","","Sardegna, Italy","4","P -1","-P 1","2","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C2 Ca0.08 Mn1.92 O6 -","- C2 Ca0.08 Mn1.92 O6 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p12 Note: P = 44.01 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017116","2.94","","4.856","","5.584","","101.99","","95.58","","89.65","","77.604","","","","","","","","41550000","","","","Sardegna, Italy","4","P -1","-P 1","2","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C2 Ca0.08 Mn1.92 O6 -","- C2 Ca0.08 Mn1.92 O6 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p13 Note: P = 41.55 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017117","2.9539","","4.843","","5.588","","101.78","","95.09","","90.45","","77.921","","","","","","","","35670000","","","","Sardegna, Italy","4","P -1","-P 1","2","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C2 Ca0.08 Mn1.92 O6 -","- C2 Ca0.08 Mn1.92 O6 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p14 Note: P = 35.67 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017118","4.7799","","4.7799","","15.694","","90","","90","","120","","310.529","","","","","","","","100","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p0 Note: P = .0001 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017119","4.7788","","4.7788","","15.685","","90","","90","","120","","310.208","","","","","","","","220000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p1 Note: P = .22 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017120","4.7753","","4.7753","","15.636","","90","","90","","120","","308.786","","","","","","","","790000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p2 Note: P = .79 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017121","4.7714","","4.7714","","15.578","","90","","90","","120","","307.138","","","","","","","","1620000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p3 Note: P = 1.62 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017122","4.7654","","4.7654","","15.531","","90","","90","","120","","305.442","","","","","","","","2120000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p4 Note: P = 2.12 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017123","4.7581","","4.7581","","15.473","","90","","90","","120","","303.37","","","","","","","","2660000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p5 Note: P = 2.66 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017124","4.7426","","4.7426","","15.368","","90","","90","","120","","299.351","","","","","","","","3570000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p6 Note: P = 3.57 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017125","4.7409","","4.7409","","15.319","","90","","90","","120","","298.183","","","","","","","","4390000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p7 Note: P = 4.39 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017126","4.7415","","4.7415","","15.308","","90","","90","","120","","298.044","","","","","","","","4740000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p8 Note: P = 4.74 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017127","4.7388","","4.7388","","15.287","","90","","90","","120","","297.296","","","","","","","","5200000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p9 Note: P = 5.20 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017128","4.7332","","4.7332","","15.1926","","90","","90","","120","","294.763","","","","","","","","6330000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p10 Note: P = 6.33 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017129","4.7248","","4.7248","","15.1242","","90","","90","","120","","292.395","","","","","","","","7010000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p11 Note: P = 7.01 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017130","4.7177","","4.7177","","15.043","","90","","90","","120","","289.952","","","","","","","","8330000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p12 Note: P = 8.33 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017131","4.7146","","4.7146","","14.9903","","90","","90","","120","","288.556","","","","","","","","9170000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p13 Note: P = 9.17 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017132","4.7087","","4.7087","","14.9313","","90","","90","","120","","286.702","","","","","","","","9820000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p14 Note: P = 9.82 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017133","4.7017","","4.7017","","14.855","","90","","90","","120","","284.389","","","","","","","","10880000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p15 Note: P = 10.88 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017134","4.6955","","4.6955","","14.7918","","90","","90","","120","","282.433","","","","","","","","11900000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p16 Note: P = 11.90 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017135","4.6929","","4.6929","","14.7382","","90","","90","","120","","281.098","","","","","","","","12730000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p17 Note: P = 12.73 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017136","4.6826","","4.6826","","14.613","","90","","90","","120","","277.488","","","","","","","","14820000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p18 Note: P = 14.82 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017137","4.6775","","4.6775","","14.528","","90","","90","","120","","275.273","","","","","","","","16420000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p19 Note: P = 16.42 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017138","4.6679","","4.6679","","14.4441","","90","","90","","120","","272.561","","","","","","","","17660000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p20 Note: P = 17.66 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017139","4.6686","","4.6686","","14.401","","90","","90","","120","","271.83","","","","","","","","18690000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p21 Note: P = 18.69 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017140","4.6641","","4.6641","","14.341","","90","","90","","120","","270.175","","","","","","","","19780000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p22 Note: P = 19.78 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017141","4.6624","","4.6624","","14.33","","90","","90","","120","","269.771","","","","","","","","20240000","","","","Sardegna, Italy","4","R -3 c :H","-R 3 2""c","167","","","Rhodocrosite","- C Ca0.04 Mn0.96 O3 -","- C6 Ca0.24 Mn5.76 O18 -","- C6 Ca0.24 Mn5.76 O18 -","","","","Merlini, M.; Hanfland, M.; Gemmi, M.","The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run2-p23 Note: P = 20.24 GPa","American Mineralogist","2015","100","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:22",""
"9017142","6.9296","","11.9767","","14.9436","","92.109","","102.884","","105.171","","1160.88","","","","","","","","","","","","Apex mine, Lander County, Nevada, USA","5","P -1","-P 1","2","","","Apexite","- H18 Mg1.09 Na0.91 O13 P -","- H18 Mg1.09 Na0.91 O13 P -","- H72 Mg4.36 Na3.64 O52 P4 -","4","2","","Kampf, A. R.; Mills, S. J.; Nash, B. P.; Jensen, M.; Nikischer, T.","Apexite, NaMg(PO4)*9H2O, a new struvite-type phase with a heteropolyhedral cluster","American Mineralogist","2015","100","","2695","2701","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017143","10.3444","","10.3444","","37.0182","","90","","90","","120","","3430.49","","","","","","","","","","","","Suizhou meteorite","6","R 3 c :H","R 3 -2""c","161","","","Merrillite","- Ca9 Fe0.048 Mg0.952 Na0.98 O28 P7 -","- Ca54 Fe0.288 Mg5.712 Na5.88 O168 P42 -","- Ca54 Fe0.288 Mg5.712 Na5.88 O168 P42 -","","","","Xie, X.; Yang, H.; Gu, X.; Downs, R. T.","Chemical composition and crystal structure of merrillite from the Suizhou meteorite","American Mineralogist","2015","100","","2753","2756","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:23",""
"9017199","5.368","","5.368","","5.368","","90","","90","","90","","154.681","","","","","","","","","","","","Capillitas mine, Argentina","6","F -4 3 m","F -4 2 3","216","","","Ishiharaite","- Cu0.55 Fe0.13 Ga0.19 In0.08 S Zn0.08 -","- Cu2.2 Fe0.52 Ga0.76 In0.32 S4 Zn0.32 -","- Cu2.2 Fe0.52 Ga0.76 In0.32 S4 Zn0.32 -","","","","Marquez-Zavalia M F; Galliski, M. A.; Drabek, M.; Vymazalova, A.; Watanabe, Y.; Murakami, H.; Bernhardt, H. J.","Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina","The Canadian Mineralogist","2015","52","","969","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:33",""
"9017200","9.919","","18.0885","","5.344","","90","","103.813","","90","","931.091","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","13","C 1 2/m 1","-C 2y","12","","","Ferro-ferri-nyboite","- Al0.59 Ca0.17 F0.42 Fe4.53 H1.58 K0.27 Mg0.06 Mn0.31 Na2.51 O23.58 Si7.41 Ti0.06 Zn0.01 -","- Al0.59 Ca0.17 F0.42 Fe4.53 H1.58 K0.27 Mg0.06 Mn0.31 Na2.5098 O23.58 Si7.41 Ti0.06 Zn0.01 -","- Al1.18 Ca0.34 F0.84 Fe9.06 H3.16 K0.54 Mg0.12 Mn0.62 Na5.0196 O47.16 Si14.82 Ti0.12 Zn0.02 -","2","0.25","","Lussier, A. J.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Tait, K. T.; Back, M. E.; Steede, A. H.; Taylor, R.; McDonald, A. M.","Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from Mont Saint-Hilaire, Quebec, Canada: description and crystal structure","The Canadian Mineralogist","2015","52","","1019","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017201","9.404","","9.404","","15.92","","90","","90","","120","","1219.27","","","","","","","","","","","","Roosevelt mine, South Dakota, USA","6","P 31 2 1","P 31 2""","152","","","Faheyite","- Be2 Fe2 H12 Mn O22 P4 -","- Be2 Fe2 H12 Mn O22 P4 -","- Be6 Fe6 H36 Mn3 O66 P12 -","3","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6: a new twist for the [Be(PPhi4)2] chain","The Canadian Mineralogist","2015","53","","199","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017202","18.609","","4.6307","","10.143","","90","","111.475","","90","","813.371","","","","","","","","","","","","Heftetjern, Tordal, Telemark, Norway","10","P 1 2/a 1","-P 2ya","13","","","Hellandite-(Y)","- Al0.92 B4 Ca1.582 Fe0.08 H2 Mn0.88 O24 Si4 Y2.752 Yb0.386 -","- Al1.84 B8 Ca3.164 Fe0.16 H4 Mn1.76 O48 Si8 Y5.504 Yb0.7728 -","- Al1.84 B8 Ca3.164 Fe0.16 H4 Mn1.76 O48 Si8 Y5.504 Yb0.7728 -","","","","Miyawaki, R.; Momma, K.; Yokoyama, K.; Shigeoka, M.; Matsubara, S.; Ito, M.; Nakai, I.; Kristiansen, R.","Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway","The Canadian Mineralogist","2015","53","","345","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:33",""
"9017246","7.5549","","15.2342","","19.6418","","90","","90","","90","","2260.63","","","","","","","","","","","","Agua de Pau volcano, San Miguel Island, Azores District, Portugal","16","I b a m","-I 2 2c","72","","","Chiappinoite-(Y)","- Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 -","- Ca Ce0.72 Dy0.4 Er0.32 Fe0.36 Gd0.28 La0.28 Mn2.44 Na0.4 Nd0.36 O112 Pr0.08 Si48 Sm0.12 Y4.68 Yb0.24 -","- Ca Ce0.72 Dy0.4 Er0.32 Fe0.36 Gd0.28 La0.28 Mn2.44 Na0.4 Nd0.36 O112 Pr0.08 Si48 Sm0.12 Y4.68 Yb0.24 -","","","","Kampf, A. R.; Housley, R. M.","Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic ejecta from the Agua de Pau volcano, Azores","European Journal of Mineralogy","2015","27","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017247","12.0285","","12.0285","","12.0285","","90","","90","","90","","1740.34","","","","","","","","","","","","Upper Chegem Caldera, Northern Caucasus, Russia","7","I -4 3 d","I -4bd 2c 3","220","","","Chlorkyuygenite","- Al6.423 Ca6 Cl1.191 Fe0.388 H3.618 O17.809 Si0.189 -","- Al6.423 Ca6 Cl1.191 Fe0.388 H3.618 O17.809 Si0.189 -","- Al25.692 Ca24 Cl4.764 Fe1.552 H14.472 O71.236 Si0.756 -","4","0.0833333","","Galuskin, E. V.; Galuskina, I. O.; Kusz, J.; Gfeller, F.; Armbruster, T.; Bailau, R.; Dulski, M.; Gazeev, V. M.; Pertsev, N. N.; Zadov, A. E.; Dzierzanowski, P.","Mayenite supergroup, part II: Chlorkyuygenite from Upper Chegem, Northern Caucasus, Kabardino-Balkaria, Russia, a new microporous mineral with ""zeolitic"" H2O","European Journal of Mineralogy","2015","27","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017248","11.966","","11.966","","11.966","","90","","90","","90","","1713.35","","","","","","","","","","","","Negev Desert, Hatrurim Basin, Arad, Israel","7","I -4 3 d","I -4bd 2c 3","220","","","Fluorkyuygenite","- Al6.664 Ca6 F0.947 Fe0.224 H3.958 O18.053 Si0.112 -","- Al6.6638 Ca6 F0.9471 Fe0.224 H3.9579 O18.0529 Si0.1122 -","- Al26.6552 Ca24 F3.7884 Fe0.896 H15.8316 O72.2116 Si0.4488 -","4","0.0833333","","Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R.","Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant","European Journal of Mineralogy","2015","27","","123","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017249","11.9894","","11.9894","","11.9894","","90","","90","","90","","1723.43","","","","","","","","","","","","Jabel Harmun, Judean Mountains, Palestinian Autonomy, Israel","8","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al6.838 Ca5.981 F1.053 Fe0.135 H1.053 Mg0.02 Na0.019 O16.593 -","- Al6.8376 Ca5.9814 F1.0527 Fe0.1352 H0.69 Mg0.02 Na0.0186 O16.5927 -","- Al27.3504 Ca23.9256 F4.2108 Fe0.5408 H2.76 Mg0.08 Na0.0744 O66.3708 -","4","0.0833333","","Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R.","Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant","European Journal of Mineralogy","2015","27","","123","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017250","6.7737","","10.5715","","11.073","","117.93","","106.909","","90.389","","660.609","","","","","","","","","","","","Glavnaya Tenoritovaya fumarole, Tolbachik volcano, Kamchatka, Russia","6","P -1","-P 1","2","","","Mellizinkalite","- Cl6.951 Cu0.14 K2.949 Mg0.09 Rb0.03 Zn1.84 -","- Cl13.902 Cu0.28 K5.898 Mg0.18 Rb0.06 Zn3.68 -","- Cl13.902 Cu0.28 K5.898 Mg0.18 Rb0.06 Zn3.68 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Lykova, I. S.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Britvin, S. N.; Pushcharovsky, D. Y.","New zinc and potassium chlorides from fumaroles of the Tolbachik volcano, Kamchatka, Russia: mineral data and crystal chemistry. I. Mellizinkalite, K3Zn2Cl7","European Journal of Mineralogy","2015","27","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017478","14.337","","4.015","","9.887","","90","","95.06","","90","","566.908","","","","300","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Kalgoorlieite","- As2 Te3 -","- As8 Te12 -","- As8 Te12 -","","","","Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E.","Polymorphism in thermoelectric As2Te3 Note: T = 300 K","Inorganic Chemistry","2015","54","","9936","9947","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017690","15.9619","","15.9691","","7.1426","","90","","90","","120","","1576.71","","","","","","","","","","","","Grotta d'Oggi, San Piero in Campo, Elba Island, Italy","13","R 3 m :H","R 3 -2""","160","","","Fluor-tsilaisite","- Al21.186 B9 Ca0.043 F1.039 Fe0.081 H17 K0.014 Li0.917 Mn4.887 Na1.842 O91.961 Si17.811 Ti0.123 -","- Al21.186 B9 Ca0.0429 F1.0389 Fe0.081 H9 K0.0138 Li0.9171 Mn4.887 Na1.842 O91.9611 Si17.811 Ti0.1233 -","- Al21.186 B9 Ca0.0429 F1.0389 Fe0.081 H9 K0.0138 Li0.9171 Mn4.887 Na1.842 O91.9611 Si17.811 Ti0.1233 -","","","","Bosi, F.; Andreozzi, G. B.; Agrosi, G.; Scandale, E.","Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline from San Piero in Campo (Elba, Italy) and new data on tsilaisitic tourmaline from the holotype specimen locality Note: Sample CB1b, Standard SREF","Mineralogical Magazine","2015","79","","89","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:24:11",""
"9017691","15.9619","","15.9691","","7.1426","","90","","90","","120","","1576.71","","","","","","","","","","","","Grotta d'Oggi, San Piero in Campo, Elba Island, Italy","13","R 3 m :H","R 3 -2""","160","","","Fluor-tsilaisite","- Al7.038 B3 Ca0.014 F0.346 Fe0.027 H3 K0.005 Li0.306 Mn1.653 Na0.609 O30.654 Si5.937 Ti0.041 -","- Al21.114 B9 Ca0.0429 F1.0386 Fe0.081 H9 K0.0138 Li0.9171 Mn4.959 Na1.827 O91.9611 Si17.811 Ti0.1233 -","- Al21.114 B9 Ca0.0429 F1.0386 Fe0.081 H9 K0.0138 Li0.9171 Mn4.959 Na1.827 O91.9611 Si17.811 Ti0.1233 -","","","","Bosi, F.; Andreozzi, G. B.; Agrosi, G.; Scandale, E.","Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline from San Piero in Campo (Elba, Italy) and new data on tsilaisitic tourmaline from the holotype specimen locality Note: Sample CB1b, Split-site SREF","Mineralogical Magazine","2015","79","","89","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:24:23",""
"9017692","9.956","","9.308","","8.869","","90","","102.55","","90","","802.256","","","","","","","","","","","","Fergana Valley, Alai Range, Osh Oblast, Kyrgyzstan","2","C 1 2/c 1","-C 2yc","15","","","Bonazziite","- As S -","- As16 S16 -","- As16 S16 -","","","","Bindi, L.; Pratesi, G.; Muniz-Miranda M; Zoppi, M.; Chelazzi, L.; Lepore, G. O.; Menchetti, S.","From ancient pigments to modern optoelectronic applications of arsenic sulfides: bonazziite, the natural analogue of beta-As4S4 from Khaidarkan deposit, Kyrgyzstan","Mineralogical Magazine","2015","79","","121","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:24:44",""
"9017693","5.145","","6.2557","","6.2766","","100.064","","96.351","","95.1","","196.474","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","6","P -1","-P 1","2","","","Popovite","- As1.95 Cu4.99 O10 S0.02 V0.01 Zn0.04 -","- As1.95 Cu4.99 O10 S0.02 V0.01 Zn0.04 -","- As1.95 Cu4.99 O10 S0.02 V0.01 Zn0.04 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. III. Popovite, Cu5O2(AsO4)2","Mineralogical Magazine","2015","79","","133","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:24:49",""
"9017694","9.7354","","9.9572","","9.0657","","92.691","","117.057","","105.323","","740.37","","","","","","","","","","","","Valletta mine, Maira Valley, Piedmont, Italy","11","P -1","-P 1","2","","","Braccoite","- Al0.02 As0.96 Ca0.02 F0.04 H3.96 Mg0.38 Mn9.56 Na2.12 O38 Si10.74 V0.32 -","- Al0.02 As0.96 Ca0.02 F0.04 H3.96 Mg0.38 Mn9.56 Na2.12 O38 Si10.74 V0.32 -","- Al0.02 As0.96 Ca0.02 F0.04 H3.96 Mg0.38 Mn9.56 Na2.12 O38 Si10.74 V0.32 -","","","","Camara, F.; Bittarello, E.; Ciriotti, M. E.; Nestola, F.; Radica, F.; Marchesini, M.","As-bearing new mineral species from Valletta mine, Maira Valley, Piedmont, Italy: II. braccoite, NaMn5[Si5AsO17(OH)](OH), description and crystal structure","Mineralogical Magazine","2015","79","","171","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:25:05",""
"9017695","13.7778","","7.2709","","11.5488","","90","","90","","90","","1156.92","","","","","","","","","","","","Svornost mine, Jachymov, Czech Republic","5","P n a 21","P 2c -2n","33","","","Geschieberite","- H4 K2 O12 S2 U -","- H4 K2 O12 S2 U -","- H16 K8 O48 S8 U4 -","4","1","","Plasil, J.; Hlousek, J.; Kasatkin, A. V.; Skoda, R.; Novak, M.; Cejka, J.","Geschieberite, K2(UO2)(SO4)2(H2O)2, a new uranyl sulfate mineral from Jachymov","Mineralogical Magazine","2015","79","","205","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017696","9.8666","","17.9283","","5.2839","","90","","103.799","","90","","907.7","","","","","","","","","","","","Jade mine tract, Myanmar","12","C 1 2/m 1","-C 2y","12","","","Magnesio-arfvedsonite","- Al0.12 Ca0.4 F0.02 Fe0.62 H1.98 K0.04 Mg4.26 Mn0.01 Na2.53 O24 Si7.99 Ti0.03 -","- Al0.24 Ca0.8 F0.04 Fe1.24 H3.96 K0.08 Mg8.52 Mn0.02 Na5.06 O47.96 Si15.98 Ti0.06 -","- Al0.24 Ca0.8 F0.04 Fe1.24 H3.96 K0.08 Mg8.52 Mn0.02 Na5.06 O47.96 Si15.98 Ti0.06 -","","","","Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E.","Magnesio-arfvedsonite from Jade mine tract, Myanmar: mineral description and crystal chemistry","Mineralogical Magazine","2015","79","","253","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:25:43",""
"9017697","10.4359","","10.4359","","21.0471","","90","","90","","120","","1985.1","","","","","","","","","","","","Novo Horizonte, Bahia, Brazil","11","R -3 :H","-R 3","148","","","Almeidaite","- Ca0.04 Fe4.88 H0.8 La0.03 Mn0.72 O38 Pb0.59 Sr0.12 Ti13.44 Y0.46 Zn1.44 -","- Ca0.04 Fe4.88 H0.8 La0.03 Mn0.72 O38 Pb0.59 Sr0.12 Ti13.44 Y0.46 Zn1.44 -","- Ca0.12 Fe14.64 H2.4 La0.09 Mn2.16 O114 Pb1.77 Sr0.36 Ti40.32 Y1.38 Zn4.32 -","3","0.166667","","Menezes, L. A. D.; Chukanov, N. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Pekov, I. V.; Chaves, M. L. S. C.; Richards, R. P.; Atencio, D.; Brandao, P. R. G.; Scholz, R.; Krambrock, K.; Moreira, R. L.; Guimaraes, F. S.; Romano, A. W.; Persiano, A. C.; de Oliveira, L. C. A.; Ardisson, J. D.","Almeidaite, Pb(Mn,Y)Zn2(Ti,Fe3+)18O36(O,OH)2, a new crichtonite-group mineral, from Novo Horizonte, Bahia, Brazil","Mineralogical Magazine","2015","79","","269","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017698","16.016","","5.7781","","16.341","","90","","116.704","","90","","1350.94","","","","","","","","","","","","Jote mine, Tierra Amarilla, Chile","5","P 1 21/n 1","-P 2yn","14","","","Tapiaite","- Al2 As4 Ca5 H28 O32 -","- Al2 As4 Ca5 H28 O32 -","- Al4 As8 Ca10 H56 O64 -","2","0.5","","Kampf, A. R.; Mills, S. J.; Nash, B. P.; Dini, M.; Donoso, A. A. M.","Tapiaite, Ca5Al2(AsO4)4(OH)4*12H2O, a new mineral from the Jote mine, Tierra Amarilla, Chile","Mineralogical Magazine","2015","79","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017699","9.8573","","17.9617","","5.2833","","90","","104.707","","90","","904.781","","","","","","","","","","","","near Hpakan, Jade Mine Tract, Kachin State, Myanmar","12","C 1 2/m 1","-C 2y","12","","","Katophorite","- Al1.218 Ca1.22 Cr0.27 F0.03 Fe0.48 H1.67 K0.05 Li0.05 Mg3.76 Na1.63 O23.97 Si7.212 -","- Al1.218 Ca1.22 Cr0.27 F0.03 Fe0.48 H1.67 K0.05 Li0.05 Mg3.76 Na1.63 O23.97 Si7.212 -","- Al2.436 Ca2.44 Cr0.54 F0.06 Fe0.96 H3.34 K0.1 Li0.1 Mg7.52 Na3.26 O47.94 Si14.424 -","2","0.25","","Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E.","Katophorite from the Jade Mine Tract, Myanmar: mineral description of a rare (grandfathered) endmember of the amphibole supergroup","Mineralogical Magazine","2015","79","","355","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017700","11.3689","","11.3689","","26.207","","90","","90","","90","","3387.3","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","7","I 4/m m m","-I 4 2","139","","","Chrysothallite","- Cl33.8 Cu11.376 H11.6 K12 O10 Tl1.884 Zn0.624 -","- Cl33.8 Cu11.376 H11.6 K12 O10 Tl1.884 Zn0.624 -","- Cl67.6 Cu22.752 H23.2 K24 O20 Tl3.768 Zn1.248 -","2","0.0625","","Pekov, I. V.; Zubkova, N. V.; Belakovskiy, D. I.; Yapaskurt, V. O.; Vigasina, M. F.; Lykova, I. S.; Sidorov, E. G.; Pushcharovsky, D. Y.","Chrysothallite K6Cu6Tl3+Cl17(OH)4*H2O, a new mineral species from the Tolbachik volcano, Kamchatka, Russia","Mineralogical Magazine","2015","79","","365","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","288651","2024-01-03","16:47:21",""
"9017701","6.7386","","11.1844","","14.1754","","80.082","","88.462","","89.517","","1052.01","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","3","P -1","-P 1","2","","","Baliczunicite","- Bi2 O9 S2 -","- Bi12 O54 S12 -","- Bi12 O54 S12 -","","","","Pinto, D.; Garavelli, A.; Balic-Zunic T","The crystal structure of baliczunicite, Bi2O(SO4)2, a new natural bismuth oxide sulfate","Mineralogical Magazine","2015","79","","597","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:27:37",""
"9017702","9.4668","","9.4668","","18.8701","","90","","90","","90","","1691.14","","","","","","","","","","","","Langban deposit, Langban, Sweden","10","I 41/a c d :2","-I 4bd 2c","142","","","Gatedalite","- Al0.01 Ca0.02 Ce0.01 Fe0.58 Mg0.48 Mn5.4 O12 Si Zn0.01 Zr0.49 -","- Al0.08 Ca0.16 Ce0.08 Fe4.64 Mg3.84 Mn43.2 O96 Si8 Zn0.08 Zr3.92 -","- Al0.08 Ca0.16 Ce0.08 Fe4.64 Mg3.84 Mn43.2 O96 Si8 Zn0.08 Zr3.92 -","","","","Halenius, U.; Bosi, F.","Gatedalite, Zr(Mn2+2Mn3+4)SiO12, a new mineral species of the braunite group from Langban, Sweden","Mineralogical Magazine","2015","79","","625","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:28:02",""
"9017703","8.8779","","5.73995","","10.0875","","90","","113.899","","90","","469.972","","","","","","","","","","","","Shobu area, Ise City, Mie Prefecture, Japan","15","P 1 21/m 1","-P 2yb","11","","","Ferriandrosite-(La)","- Al1.17 Ca0.47 Ce0.2 Fe0.88 Gd0.02 H La0.49 Mg0.1 Mn1.06 Nd0.19 O13 Pr0.08 Si3 Ti0.07 V0.28 -","- Al2.34 Ca0.94 Ce0.4 Fe1.76 Gd0.04 H2 La0.98 Mg0.2 Mn2.12 Nd0.38 O26 Pr0.16 Si6 Ti0.14 V0.56 -","- Al2.34 Ca0.94 Ce0.4 Fe1.76 Gd0.04 H2 La0.98 Mg0.2 Mn2.12 Nd0.38 O26 Pr0.16 Si6 Ti0.14 V0.56 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","735","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:28:30",""
"9017704","8.8733","","5.7415","","10.0805","","90","","113.845","","90","","469.725","","","","","","","","","","","","Shobu area, Ise City, Mie Prefecture, Japan","15","P 1 21/m 1","-P 2yb","11","","","Ferriakasakaite-(La)","- Al1.14 Ca0.59 Ce0.2 Fe0.89 Gd0.02 H La0.48 Mg0.07 Mn0.96 Nd0.18 O13 Pr0.07 Si3 Ti0.06 V0.34 -","- Al2.28 Ca1.18 Ce0.4 Fe1.78 Gd0.04 H2 La0.96 Mg0.14 Mn1.92 Nd0.36 O26 Pr0.14 Si6 Ti0.12 V0.68 -","- Al2.28 Ca1.18 Ce0.4 Fe1.78 Gd0.04 H2 La0.96 Mg0.14 Mn1.92 Nd0.36 O26 Pr0.14 Si6 Ti0.12 V0.68 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Ferriakasakaite-(La) and ferriandrosite-(La): new epidote-supergroup minerals from Ise, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","735","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:28:48",""
"9017705","6.3827","","6.86727","","4.39168","","90","","90","","90","","192.495","","","","","","","","","","","","Jabal Tawlah, Saudi Arabia","10","P n m a","-P 2ac 2n","62","","","Waimirite-(Y)","- Dy0.08 Er0.05 F2.92 Gd0.03 Ho0.02 O0.08 Tb0.01 Tm0.01 Y0.79 Yb0.01 -","- Dy0.32 Er0.2 F11.68 Gd0.12 Ho0.08 O0.32 Tb0.04 Tm0.04 Y3.16 Yb0.04 -","- Dy0.32 Er0.2 F11.68 Gd0.12 Ho0.08 O0.32 Tb0.04 Tm0.04 Y3.16 Yb0.04 -","","","","Atencio, D.; Bastos Neto, A. C.; Pereira, V. P.; Ferron, J. T. M. M.; Hoshino, M.; Moriyama, T.; Watanabe, Y.; Miyawaki, R.; Coutinho, J. M. V.; Andrade, M. B.; Domanik, K.; Chukanov, N. V.; Momma, K.; Hirano, H.; Tsunematsu, M.","Waimirite-(Y), orthorhombic YF3, a new mineral from the Pitinga mine, Presidente Figueiredo, Amazonas, Brazil and from Jabal Tawlah, Saudi Arabia: description and crystal structure","Mineralogical Magazine","2015","79","","767","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:02",""
"9017706","9.861","","9.861","","11.125","","90","","90","","90","","1081.79","","","","","","","","","","","","Lengenbach quarry, Binn Valley, Wallis, Switzerland","9","I -4 2 m","I -4 2","121","","","Ralphcannonite","- Ag0.634 As1.99 Cu0.249 Fe0.468 Hg0.318 S6 Sb0.01 Tl Zn1.331 -","- Ag2.536 As7.96 Cu0.996 Fe1.872 Hg1.272 S24 Sb0.04 Tl4 Zn5.324 -","- Ag2.536 As7.96 Cu0.996 Fe1.872 Hg1.272 S24 Sb0.04 Tl4 Zn5.324 -","","","","Bindi, L.; Biagioni, C.; Raber, T.; Roth, T.; Nestola, F.","Ralphcannonite, AgZn2TlAs2S6, a new mineral of the routhierite isotypic series from Lengenbach, Binn Valley, Switzerland","Mineralogical Magazine","2015","79","","1089","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:03",""
"9017813","6.4784","","12.2313","","21.3494","","90","","89.624","","90","","1691.67","","","","173","","","","","","","","Zhelezny mine, Kovdor massif, Kola Peninsula, Russia","7","P 1 21/c 1","-P 2ybc","14","","","Girvasite","- C H12 Ca2 Mg3 Na O21 P3 -","- C H12 Ca2 Mg3 Na O21 P3 -","- C4 H48 Ca8 Mg12 Na4 O84 P12 -","4","1","","Krivovichev, S. V.; Chernyatieva, A. P.; Britvin, S. N.; Yakovenchuk, V. N.","The crystal structure of girvasite, NaCa2Mg3(PO4)3(CO3)(H2O)6, a complex phosphate-carbonate hydrate based upon electroneutral heteropolyhedral layers Note: T = 173 K","Russian Geology and Geophysics","2015","56","","155","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017852","5.71","","6.54","","14.64","","81.8","","83.9","","86.5","","537.469","","","","","","","","","","","","Nowa Ruda, Poland","5","P -1","-P 1","2","","","Alumohydrocalcite","- C2 H12 Al2 Ca O14 -","- C4 H24 Al4 Ca2 O28 -","- C4 H24 Al4 Ca2 O28 -","","","","Stachowicz, M.; Parafiniuk, J.; Wilson, C.; Coles, S.; Wozniak, K.","Applications of Hirshfeld surfaces to mineralogy: An example of alumohydrocalcite, and the classification of the dundasite group minerals","American Mineralogist","2015","100","","110","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017909","9.1428","","10.9346","","7.2168","","90.547","","90.612","","107.375","","688.463","","","","","","","","","","","","Sierra Gorda, Chile","4","P -1","-P 1","2","","","Hohmannite","- Fe2 H16 O17 S2 -","- Fe4 H32 O34 S4 -","- Fe4 H32 O34 S4 -","","","","Ventruti, G.; Ventura, G. D.; Orlando, R.; Scordari, F.","Structure refinement, hydrogen-bond system and vibrational spectroscopy of hohmannite, Fe3+2[O(SO4)2]*8H2O","Mineralogical Magazine","2015","79","","11","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""
"9017910","11.0459","","11.0459","","10.61502","","90","","90","","120","","1121.64","","","","","","","","","","","","Ise City, Mie Prefecture, Japan","8","P 63","P 6c","173","","","Imayoshiite","- C H27 Al0.89 B0.94 Ca3 O25 S0.06 Si0.11 -","- C2 H54 Al1.78 B1.88 Ca6 O50 S0.12 Si0.22 -","- C2 H54 Al1.78 B1.88 Ca6 O50 S0.12 Si0.22 -","","","","Nishio-Hamane D; Ohnishi, M.; Momma, K.; Shimobayashi, N.; Miyawaki, R.; Minakawa, T.; Inaba, S.","Imayoshiite, Ca3Al(CO3)[B(OH)4](OH)6*12H2O, a new mineral of the ettringite group from Ise City, Mie Prefecture, Japan","Mineralogical Magazine","2015","79","","413","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""